NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390820 |
1ovx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ovx
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 317
_Distance_constraint_stats_list.Viol_count 24
_Distance_constraint_stats_list.Viol_total 4.878
_Distance_constraint_stats_list.Viol_max 0.868
_Distance_constraint_stats_list.Viol_rms 0.0760
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.2033
_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 18 LEU 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.123 0.123 1 0 "[ ]"
1 20 TYR 0.000 0.000 . 0 "[ ]"
1 21 CYS 0.430 0.395 1 0 "[ ]"
1 22 SER 1.080 0.868 1 1 [+]
1 23 PHE 0.188 0.188 1 0 "[ ]"
1 24 CYS 0.000 0.000 . 0 "[ ]"
1 25 GLY 0.035 0.035 1 0 "[ ]"
1 26 LYS 0.000 0.000 . 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 GLN 0.123 0.123 1 0 "[ ]"
1 29 HIS 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.000 0.000 . 0 "[ ]"
1 31 VAL 0.275 0.195 1 0 "[ ]"
1 32 ARG 0.195 0.195 1 0 "[ ]"
1 33 LYS 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.076 0.032 1 0 "[ ]"
1 35 ILE 0.476 0.400 1 0 "[ ]"
1 36 ALA 0.019 0.019 1 0 "[ ]"
1 37 GLY 0.000 0.000 . 0 "[ ]"
1 38 PRO 0.000 0.000 . 0 "[ ]"
1 39 SER 0.131 0.131 1 0 "[ ]"
1 40 VAL 0.590 0.354 1 0 "[ ]"
1 41 TYR 1.099 0.868 1 1 [+]
1 42 ILE 0.950 0.395 1 0 "[ ]"
1 43 CYS 0.000 0.000 . 0 "[ ]"
1 44 ASP 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.067 0.067 1 0 "[ ]"
1 46 CYS 0.092 0.092 1 0 "[ ]"
1 47 VAL 0.637 0.329 1 0 "[ ]"
1 48 ASP 0.329 0.329 1 0 "[ ]"
1 49 LEU 0.067 0.067 1 0 "[ ]"
1 50 CYS 0.000 0.000 . 0 "[ ]"
1 51 ASN 0.490 0.490 1 0 "[ ]"
1 52 ASP 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.192 0.192 1 0 "[ ]"
1 54 ILE 0.192 0.192 1 0 "[ ]"
1 55 ARG 0.000 0.000 . 0 "[ ]"
2 22 SER 0.000 0.000 . 0 "[ ]"
2 23 PHE 0.770 0.354 1 0 "[ ]"
2 33 LYS 0.000 0.000 . 0 "[ ]"
2 35 ILE 0.000 0.000 . 0 "[ ]"
2 38 PRO 0.000 0.000 . 0 "[ ]"
2 40 VAL 0.105 0.105 1 0 "[ ]"
2 42 ILE 0.000 0.000 . 0 "[ ]"
2 47 VAL 0.890 0.490 1 0 "[ ]"
2 50 CYS 0.000 0.000 . 0 "[ ]"
2 51 ASN 0.000 0.000 . 0 "[ ]"
2 54 ILE 0.000 0.000 . 0 "[ ]"
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 18 LEU HA 1 18 LEU MD2 4.300 . 4.300 2.050 2.050 2.050 . 0 0 "[ ]" 1
2 1 18 LEU HA 1 19 LEU H 5.500 . 5.500 3.548 3.548 3.548 . 0 0 "[ ]" 1
3 1 18 LEU HA 1 28 GLN QE 5.500 . 5.500 4.551 4.551 4.551 . 0 0 "[ ]" 1
4 1 18 LEU MD1 1 19 LEU HB2 5.800 . 5.800 4.745 4.745 4.745 . 0 0 "[ ]" 1
5 1 18 LEU MD1 1 20 TYR HB2 5.800 . 5.800 4.004 4.004 4.004 . 0 0 "[ ]" 1
6 1 18 LEU MD2 1 19 LEU H 5.800 . 5.800 4.303 4.303 4.303 . 0 0 "[ ]" 1
7 1 18 LEU MD2 1 28 GLN QE 5.800 . 5.800 3.715 3.715 3.715 . 0 0 "[ ]" 1
8 1 19 LEU H 1 19 LEU HB3 4.000 . 4.000 2.957 2.957 2.957 . 0 0 "[ ]" 1
9 1 19 LEU H 1 28 GLN HA 5.500 . 5.500 5.194 5.194 5.194 . 0 0 "[ ]" 1
10 1 19 LEU H 1 28 GLN QG 5.500 . 5.500 4.109 4.109 4.109 . 0 0 "[ ]" 1
11 1 19 LEU HA 1 20 TYR H 2.900 . 2.900 2.255 2.255 2.255 . 0 0 "[ ]" 1
12 1 19 LEU HA 1 28 GLN QB 5.500 . 5.500 5.114 5.114 5.114 . 0 0 "[ ]" 1
13 1 19 LEU HB2 1 34 LEU H 5.500 . 5.500 4.132 4.132 4.132 . 0 0 "[ ]" 1
14 1 19 LEU HB3 1 20 TYR H 5.500 . 5.500 3.644 3.644 3.644 . 0 0 "[ ]" 1
15 1 19 LEU HB3 1 28 GLN QE 5.500 . 5.500 4.648 4.648 4.648 . 0 0 "[ ]" 1
16 1 19 LEU QD 1 28 GLN QE 5.800 . 5.800 5.103 5.103 5.103 . 0 0 "[ ]" 1
17 1 19 LEU MD1 1 28 GLN QE 5.800 . 5.800 5.923 5.923 5.923 0.123 1 0 "[ ]" 1
18 1 19 LEU MD2 1 20 TYR H 5.800 . 5.800 3.262 3.262 3.262 . 0 0 "[ ]" 1
19 1 19 LEU MD2 1 28 GLN QB 5.800 . 5.800 5.582 5.582 5.582 . 0 0 "[ ]" 1
20 1 19 LEU MD2 1 28 GLN QE 5.800 . 5.800 5.571 5.571 5.571 . 0 0 "[ ]" 1
21 1 19 LEU MD2 1 34 LEU H 5.800 . 5.800 4.170 4.170 4.170 . 0 0 "[ ]" 1
22 1 19 LEU HG 1 20 TYR H 5.500 . 5.500 4.295 4.295 4.295 . 0 0 "[ ]" 1
23 1 20 TYR H 1 20 TYR HB2 4.000 . 4.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
24 1 20 TYR H 1 21 CYS H 5.500 . 5.500 4.639 4.639 4.639 . 0 0 "[ ]" 1
25 1 20 TYR HA 1 21 CYS H 2.900 . 2.900 2.318 2.318 2.318 . 0 0 "[ ]" 1
26 1 20 TYR HA 1 28 GLN H 5.500 . 5.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
27 1 20 TYR HA 1 34 LEU MD2 5.800 . 5.800 5.156 5.156 5.156 . 0 0 "[ ]" 1
28 1 20 TYR HB2 1 25 GLY H 5.500 . 5.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
29 1 20 TYR HB3 1 21 CYS H 5.500 . 5.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
30 1 20 TYR HB3 1 21 CYS H 5.500 . 5.500 3.913 3.913 3.913 . 0 0 "[ ]" 1
31 1 20 TYR QD 1 22 SER H 5.500 . 5.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
32 1 21 CYS H 1 21 CYS HB3 4.000 . 4.000 3.026 3.026 3.026 . 0 0 "[ ]" 1
33 1 21 CYS H 1 22 SER H 5.500 . 5.500 4.613 4.613 4.613 . 0 0 "[ ]" 1
34 1 21 CYS H 1 25 GLY H 5.500 . 5.500 3.280 3.280 3.280 . 0 0 "[ ]" 1
35 1 21 CYS H 1 26 LYS H 5.500 . 5.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
36 1 21 CYS H 1 34 LEU MD2 5.800 . 5.800 4.737 4.737 4.737 . 0 0 "[ ]" 1
37 1 21 CYS HA 1 22 SER H 3.500 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
38 1 21 CYS HA 1 22 SER H 3.400 . 3.400 2.042 2.042 2.042 . 0 0 "[ ]" 1
39 1 21 CYS HA 1 34 LEU MD2 5.800 . 5.800 5.334 5.334 5.334 . 0 0 "[ ]" 1
40 1 21 CYS HA 1 41 TYR QB 5.500 . 5.500 4.075 4.075 4.075 . 0 0 "[ ]" 1
41 1 21 CYS HA 1 42 ILE H 5.500 . 5.500 5.895 5.895 5.895 0.395 1 0 "[ ]" 1
42 1 21 CYS HA 1 42 ILE HA 5.500 . 5.500 3.788 3.788 3.788 . 0 0 "[ ]" 1
43 1 21 CYS HB2 1 23 PHE H 5.500 . 5.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
44 1 21 CYS HB2 1 24 CYS H 5.500 . 5.500 2.886 2.886 2.886 . 0 0 "[ ]" 1
45 1 21 CYS HB2 1 26 LYS H 5.500 . 5.500 2.316 2.316 2.316 . 0 0 "[ ]" 1
46 1 21 CYS HB2 1 34 LEU MD2 5.800 . 5.800 4.133 4.133 4.133 . 0 0 "[ ]" 1
47 1 21 CYS HB3 1 22 SER H 5.500 . 5.500 3.714 3.714 3.714 . 0 0 "[ ]" 1
48 1 21 CYS HB3 1 23 PHE H 5.500 . 5.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
49 1 21 CYS HB3 1 24 CYS H 5.500 . 5.500 1.817 1.817 1.817 . 0 0 "[ ]" 1
50 1 21 CYS HB3 1 25 GLY H 5.500 . 5.500 1.765 1.765 1.765 0.035 1 0 "[ ]" 1
51 1 21 CYS HB3 1 26 LYS H 5.500 . 5.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
52 1 21 CYS HB3 1 34 LEU MD2 5.800 . 5.800 4.050 4.050 4.050 . 0 0 "[ ]" 1
53 1 21 CYS HB3 1 34 LEU MD2 5.800 . 5.800 5.553 5.553 5.553 . 0 0 "[ ]" 1
54 1 22 SER H 1 23 PHE H 5.500 . 5.500 2.540 2.540 2.540 . 0 0 "[ ]" 1
55 1 22 SER H 1 41 TYR H 5.500 . 5.500 5.678 5.678 5.678 0.178 1 0 "[ ]" 1
56 1 22 SER H 1 41 TYR QB 5.500 . 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
57 1 22 SER H 1 42 ILE HA 5.500 . 5.500 5.105 5.105 5.105 . 0 0 "[ ]" 1
58 1 22 SER HA 1 23 PHE H 5.500 . 5.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
59 1 22 SER HA 2 40 VAL MG2 5.800 . 5.800 3.708 3.708 3.708 . 0 0 "[ ]" 1
60 1 22 SER QB 1 41 TYR H 5.500 . 5.500 6.368 6.368 6.368 0.868 1 1 [+] 1
61 1 22 SER QB 2 40 VAL MG1 5.800 . 5.800 4.048 4.048 4.048 . 0 0 "[ ]" 1
62 1 22 SER QB 2 40 VAL MG2 5.800 . 5.800 2.163 2.163 2.163 . 0 0 "[ ]" 1
63 1 23 PHE H 1 23 PHE HB3 4.000 . 4.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
64 1 23 PHE H 1 24 CYS H 3.500 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
65 1 23 PHE H 1 25 GLY H 5.500 . 5.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
66 1 23 PHE H 1 42 ILE HA 5.500 . 5.500 5.688 5.688 5.688 0.188 1 0 "[ ]" 1
67 1 23 PHE HA 1 24 CYS H 5.500 . 5.500 3.586 3.586 3.586 . 0 0 "[ ]" 1
68 1 23 PHE HA 2 38 PRO QB 5.500 . 5.500 5.352 5.352 5.352 . 0 0 "[ ]" 1
69 1 23 PHE HB2 1 24 CYS H 5.500 . 5.500 2.152 2.152 2.152 . 0 0 "[ ]" 1
70 1 23 PHE HB2 1 42 ILE HA 5.500 . 5.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
71 1 23 PHE HB3 1 24 CYS H 3.500 . 3.500 3.386 3.386 3.386 . 0 0 "[ ]" 1
72 1 23 PHE QD 1 24 CYS H 5.500 . 5.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
73 1 23 PHE QD 1 42 ILE HA 5.500 . 5.500 5.013 5.013 5.013 . 0 0 "[ ]" 1
74 1 23 PHE QE 1 40 VAL MG1 5.800 . 5.800 5.271 5.271 5.271 . 0 0 "[ ]" 1
75 1 23 PHE QE 1 42 ILE HB 5.500 . 5.500 5.457 5.457 5.457 . 0 0 "[ ]" 1
76 1 23 PHE QE 1 40 VAL HB 5.500 . 5.500 4.625 4.625 4.625 . 0 0 "[ ]" 1
77 1 23 PHE HZ 1 42 ILE H 5.500 . 5.500 4.374 4.374 4.374 . 0 0 "[ ]" 1
78 1 24 CYS H 1 25 GLY H 2.900 . 2.900 2.553 2.553 2.553 . 0 0 "[ ]" 1
79 1 24 CYS HA 1 25 GLY H 5.500 . 5.500 3.514 3.514 3.514 . 0 0 "[ ]" 1
80 1 24 CYS HB2 1 25 GLY H 5.500 . 5.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
81 1 24 CYS HB3 1 25 GLY H 5.500 . 5.500 4.077 4.077 4.077 . 0 0 "[ ]" 1
82 1 24 CYS HB3 1 26 LYS H 5.500 . 5.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
83 1 25 GLY H 1 26 LYS H 5.500 . 5.500 2.695 2.695 2.695 . 0 0 "[ ]" 1
84 1 25 GLY HA2 1 26 LYS H 5.500 . 5.500 3.191 3.191 3.191 . 0 0 "[ ]" 1
85 1 25 GLY HA3 1 26 LYS H 5.500 . 5.500 3.362 3.362 3.362 . 0 0 "[ ]" 1
86 1 26 LYS H 1 26 LYS HB2 3.400 . 3.400 2.392 2.392 2.392 . 0 0 "[ ]" 1
87 1 26 LYS H 1 26 LYS QD 6.000 . 6.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
88 1 26 LYS H 1 26 LYS QE 6.000 . 6.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
89 1 26 LYS H 1 27 SER H 5.500 . 5.500 4.655 4.655 4.655 . 0 0 "[ ]" 1
90 1 26 LYS H 1 30 GLU QB 5.500 . 5.500 5.302 5.302 5.302 . 0 0 "[ ]" 1
91 1 26 LYS H 1 31 VAL MG1 5.800 . 5.800 5.067 5.067 5.067 . 0 0 "[ ]" 1
92 1 26 LYS HA 1 27 SER H 2.900 . 2.900 2.363 2.363 2.363 . 0 0 "[ ]" 1
93 1 26 LYS HB2 1 27 SER H 5.500 . 5.500 3.564 3.564 3.564 . 0 0 "[ ]" 1
94 1 26 LYS HB2 1 31 VAL H 5.500 . 5.500 4.640 4.640 4.640 . 0 0 "[ ]" 1
95 1 26 LYS HB2 1 31 VAL MG2 3.800 . 3.800 2.553 2.553 2.553 . 0 0 "[ ]" 1
96 1 26 LYS QD 1 27 SER H 5.500 . 5.500 4.736 4.736 4.736 . 0 0 "[ ]" 1
97 1 26 LYS HG3 1 43 CYS HA 5.500 . 5.500 3.768 3.768 3.768 . 0 0 "[ ]" 1
98 1 27 SER H 1 28 GLN H 5.500 . 5.500 4.674 4.674 4.674 . 0 0 "[ ]" 1
99 1 27 SER H 1 30 GLU H 5.500 . 5.500 3.850 3.850 3.850 . 0 0 "[ ]" 1
100 1 27 SER H 1 30 GLU QB 3.500 . 3.500 2.126 2.126 2.126 . 0 0 "[ ]" 1
101 1 27 SER H 1 31 VAL MG1 5.800 . 5.800 5.734 5.734 5.734 . 0 0 "[ ]" 1
102 1 27 SER QB 1 29 HIS H 5.500 . 5.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
103 1 28 GLN H 1 29 HIS H 5.500 . 5.500 2.769 2.769 2.769 . 0 0 "[ ]" 1
104 1 28 GLN HA 1 30 GLU H 5.500 . 5.500 4.324 4.324 4.324 . 0 0 "[ ]" 1
105 1 28 GLN HA 1 31 VAL H 5.500 . 5.500 4.580 4.580 4.580 . 0 0 "[ ]" 1
106 1 28 GLN HA 1 31 VAL MG2 3.800 . 3.800 3.372 3.372 3.372 . 0 0 "[ ]" 1
107 1 28 GLN QB 1 29 HIS H 5.500 . 5.500 2.561 2.561 2.561 . 0 0 "[ ]" 1
108 1 28 GLN QG 1 30 GLU H 5.500 . 5.500 5.256 5.256 5.256 . 0 0 "[ ]" 1
109 1 29 HIS H 1 30 GLU H 5.500 . 5.500 2.298 2.298 2.298 . 0 0 "[ ]" 1
110 1 29 HIS H 1 31 VAL H 5.500 . 5.500 4.312 4.312 4.312 . 0 0 "[ ]" 1
111 1 29 HIS QB 1 30 GLU H 5.500 . 5.500 3.121 3.121 3.121 . 0 0 "[ ]" 1
112 1 30 GLU H 1 30 GLU QB 3.400 . 3.400 2.284 2.284 2.284 . 0 0 "[ ]" 1
113 1 30 GLU H 1 31 VAL H 2.900 . 2.900 2.719 2.719 2.719 . 0 0 "[ ]" 1
114 1 30 GLU H 1 31 VAL MG1 5.800 . 5.800 5.566 5.566 5.566 . 0 0 "[ ]" 1
115 1 30 GLU H 1 31 VAL MG2 5.800 . 5.800 3.448 3.448 3.448 . 0 0 "[ ]" 1
116 1 30 GLU HA 1 31 VAL H 5.500 . 5.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
117 1 30 GLU QB 1 31 VAL H 5.500 . 5.500 2.912 2.912 2.912 . 0 0 "[ ]" 1
118 1 31 VAL H 1 31 VAL MG1 4.300 . 4.300 3.549 3.549 3.549 . 0 0 "[ ]" 1
119 1 31 VAL H 1 31 VAL MG2 3.700 . 3.700 1.720 1.720 1.720 0.080 1 0 "[ ]" 1
120 1 31 VAL H 1 32 ARG H 5.500 . 5.500 4.614 4.614 4.614 . 0 0 "[ ]" 1
121 1 31 VAL HA 1 32 ARG H 3.500 . 3.500 2.326 2.326 2.326 . 0 0 "[ ]" 1
122 1 31 VAL HB 1 32 ARG H 2.900 . 2.900 3.095 3.095 3.095 0.195 1 0 "[ ]" 1
123 1 31 VAL HB 1 33 LYS H 5.500 . 5.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
124 1 31 VAL MG1 1 32 ARG H 5.800 . 5.800 2.649 2.649 2.649 . 0 0 "[ ]" 1
125 1 31 VAL MG1 1 43 CYS HA 5.800 . 5.800 4.221 4.221 4.221 . 0 0 "[ ]" 1
126 1 31 VAL MG1 1 43 CYS QB 3.800 . 3.800 2.062 2.062 2.062 . 0 0 "[ ]" 1
127 1 31 VAL MG2 1 32 ARG H 5.800 . 5.800 4.233 4.233 4.233 . 0 0 "[ ]" 1
128 1 31 VAL MG2 1 33 LYS H 5.800 . 5.800 4.477 4.477 4.477 . 0 0 "[ ]" 1
129 1 31 VAL MG2 1 34 LEU H 5.800 . 5.800 5.241 5.241 5.241 . 0 0 "[ ]" 1
130 1 31 VAL MG2 1 43 CYS HA 5.800 . 5.800 4.034 4.034 4.034 . 0 0 "[ ]" 1
131 1 31 VAL MG2 1 43 CYS QB 3.800 . 3.800 2.416 2.416 2.416 . 0 0 "[ ]" 1
132 1 32 ARG H 1 32 ARG QB 3.400 . 3.400 2.273 2.273 2.273 . 0 0 "[ ]" 1
133 1 32 ARG H 1 32 ARG QD 6.000 . 6.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
134 1 32 ARG H 1 33 LYS H . . 2.900 2.624 2.624 2.624 . 0 0 "[ ]" 1
135 1 32 ARG HA 1 33 LYS H 5.500 . 5.500 3.558 3.558 3.558 . 0 0 "[ ]" 1
136 1 32 ARG QB 1 33 LYS H 3.500 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
137 1 32 ARG QB 1 44 ASP QB 5.500 . 5.500 4.868 4.868 4.868 . 0 0 "[ ]" 1
138 1 33 LYS H 1 43 CYS HA 5.500 . 5.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
139 1 33 LYS H 1 44 ASP QB 5.500 . 5.500 4.085 4.085 4.085 . 0 0 "[ ]" 1
140 1 33 LYS HA 1 34 LEU H 2.900 . 2.900 2.187 2.187 2.187 . 0 0 "[ ]" 1
141 1 33 LYS QB 1 34 LEU H 5.500 . 5.500 3.288 3.288 3.288 . 0 0 "[ ]" 1
142 1 33 LYS QB 1 44 ASP QB 5.500 . 5.500 2.197 2.197 2.197 . 0 0 "[ ]" 1
143 1 33 LYS QB 2 54 ILE MD 5.800 . 5.800 2.077 2.077 2.077 . 0 0 "[ ]" 1
144 1 34 LEU H 1 35 ILE H 5.500 . 5.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
145 1 34 LEU HA 1 35 ILE H 2.900 . 2.900 2.215 2.215 2.215 . 0 0 "[ ]" 1
146 1 34 LEU HA 1 42 ILE H 5.500 . 5.500 4.031 4.031 4.031 . 0 0 "[ ]" 1
147 1 34 LEU HA 1 42 ILE MG 5.800 . 5.800 4.638 4.638 4.638 . 0 0 "[ ]" 1
148 1 34 LEU HA 1 43 CYS HA . . 3.500 2.280 2.280 2.280 . 0 0 "[ ]" 1
149 1 34 LEU QD 1 43 CYS H 5.800 . 5.800 3.250 3.250 3.250 . 0 0 "[ ]" 1
150 1 34 LEU QD 1 35 ILE H 5.800 . 5.800 1.768 1.768 1.768 0.032 1 0 "[ ]" 1
151 1 34 LEU MD1 1 35 ILE H 5.800 . 5.800 1.777 1.777 1.777 0.023 1 0 "[ ]" 1
152 1 34 LEU MD1 1 43 CYS QB 3.800 . 3.800 3.540 3.540 3.540 . 0 0 "[ ]" 1
153 1 34 LEU QD 1 43 CYS HA 5.800 . 5.800 2.405 2.405 2.405 . 0 0 "[ ]" 1
154 1 34 LEU MD1 1 35 ILE H 5.800 . 5.800 1.780 1.780 1.780 0.020 1 0 "[ ]" 1
155 1 34 LEU MD1 1 43 CYS QB 5.800 . 5.800 4.162 4.162 4.162 . 0 0 "[ ]" 1
156 1 34 LEU MD2 1 41 TYR QB 5.800 . 5.800 3.832 3.832 3.832 . 0 0 "[ ]" 1
157 1 35 ILE H 1 35 ILE HB 4.000 . 4.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
158 1 35 ILE H 1 35 ILE MD 5.800 . 5.800 3.515 3.515 3.515 . 0 0 "[ ]" 1
159 1 35 ILE H 1 36 ALA H 5.500 . 5.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
160 1 35 ILE H 1 41 TYR HA 5.500 . 5.500 4.702 4.702 4.702 . 0 0 "[ ]" 1
161 1 35 ILE H 1 41 TYR QB 5.500 . 5.500 5.040 5.040 5.040 . 0 0 "[ ]" 1
162 1 35 ILE H 1 41 TYR QB 5.500 . 5.500 3.238 3.238 3.238 . 0 0 "[ ]" 1
163 1 35 ILE H 1 42 ILE MG 3.800 . 3.800 2.242 2.242 2.242 . 0 0 "[ ]" 1
164 1 35 ILE H 1 43 CYS HA 5.500 . 5.500 3.126 3.126 3.126 . 0 0 "[ ]" 1
165 1 35 ILE HA 1 36 ALA H 3.500 . 3.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
166 1 35 ILE HA 1 42 ILE H 5.500 . 5.500 5.091 5.091 5.091 . 0 0 "[ ]" 1
167 1 35 ILE HA 2 54 ILE MG 5.800 . 5.800 5.007 5.007 5.007 . 0 0 "[ ]" 1
168 1 35 ILE HB 1 42 ILE H 5.500 . 5.500 3.124 3.124 3.124 . 0 0 "[ ]" 1
169 1 35 ILE HB 1 42 ILE MG 3.800 . 3.800 2.206 2.206 2.206 . 0 0 "[ ]" 1
170 1 35 ILE HB 2 54 ILE MD 5.800 . 5.800 4.027 4.027 4.027 . 0 0 "[ ]" 1
171 1 35 ILE MD 2 47 VAL HA 5.800 . 5.800 1.901 1.901 1.901 . 0 0 "[ ]" 1
172 1 35 ILE MD 2 47 VAL HB 3.800 . 3.800 4.200 4.200 4.200 0.400 1 0 "[ ]" 1
173 1 35 ILE MD 2 50 CYS QB 5.800 . 5.800 1.916 1.916 1.916 . 0 0 "[ ]" 1
174 1 35 ILE MG 1 36 ALA H 3.800 . 3.800 2.555 2.555 2.555 . 0 0 "[ ]" 1
175 1 36 ALA H 1 36 ALA MB 3.400 . 3.400 2.342 2.342 2.342 . 0 0 "[ ]" 1
176 1 36 ALA H 1 37 GLY H 5.500 . 5.500 4.542 4.542 4.542 . 0 0 "[ ]" 1
177 1 36 ALA H 1 41 TYR QE 5.500 . 5.500 5.519 5.519 5.519 0.019 1 0 "[ ]" 1
178 1 36 ALA HA 1 37 GLY H 2.900 . 2.900 2.211 2.211 2.211 . 0 0 "[ ]" 1
179 1 36 ALA HA 1 41 TYR HA 5.500 . 5.500 3.130 3.130 3.130 . 0 0 "[ ]" 1
180 1 36 ALA MB 1 37 GLY H 5.500 . 5.500 2.965 2.965 2.965 . 0 0 "[ ]" 1
181 1 37 GLY H 1 40 VAL H 5.500 . 5.500 3.471 3.471 3.471 . 0 0 "[ ]" 1
182 1 37 GLY H 1 40 VAL MG2 5.800 . 5.800 5.569 5.569 5.569 . 0 0 "[ ]" 1
183 1 37 GLY H 1 41 TYR H 5.500 . 5.500 5.126 5.126 5.126 . 0 0 "[ ]" 1
184 1 37 GLY H 1 41 TYR HA 5.500 . 5.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
185 1 37 GLY H 1 41 TYR QR 5.500 . 5.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
186 1 37 GLY H 1 42 ILE H 5.500 . 5.500 5.250 5.250 5.250 . 0 0 "[ ]" 1
187 1 37 GLY QA 1 40 VAL MG2 5.800 . 5.800 4.344 4.344 4.344 . 0 0 "[ ]" 1
188 1 38 PRO HA 1 39 SER H 5.500 . 5.500 3.503 3.503 3.503 . 0 0 "[ ]" 1
189 1 38 PRO HA 1 40 VAL H 5.500 . 5.500 4.876 4.876 4.876 . 0 0 "[ ]" 1
190 1 38 PRO QB 1 39 SER H 5.500 . 5.500 2.979 2.979 2.979 . 0 0 "[ ]" 1
191 1 38 PRO QB 1 40 VAL MG2 5.800 . 5.800 5.107 5.107 5.107 . 0 0 "[ ]" 1
192 1 39 SER H 1 40 VAL H 5.500 . 5.500 1.669 1.669 1.669 0.131 1 0 "[ ]" 1
193 1 39 SER QB 1 40 VAL MG2 3.800 . 3.800 3.147 3.147 3.147 . 0 0 "[ ]" 1
194 1 40 VAL H 1 40 VAL MG1 4.300 . 4.300 3.869 3.869 3.869 . 0 0 "[ ]" 1
195 1 40 VAL H 1 40 VAL MG2 4.300 . 4.300 2.872 2.872 2.872 . 0 0 "[ ]" 1
196 1 40 VAL H 1 41 TYR H 5.500 . 5.500 4.392 4.392 4.392 . 0 0 "[ ]" 1
197 1 40 VAL HA 1 41 TYR H 2.900 . 2.900 2.194 2.194 2.194 . 0 0 "[ ]" 1
198 1 40 VAL HB 1 41 TYR H 5.500 . 5.500 4.189 4.189 4.189 . 0 0 "[ ]" 1
199 1 40 VAL HB 2 23 PHE HA 5.500 . 5.500 5.605 5.605 5.605 0.105 1 0 "[ ]" 1
200 1 40 VAL HB 2 40 VAL MG2 6.300 . 6.300 5.537 5.537 5.537 . 0 0 "[ ]" 1
201 1 40 VAL MG1 1 41 TYR H 5.800 . 5.800 2.313 2.313 2.313 . 0 0 "[ ]" 1
202 1 40 VAL MG1 2 22 SER QB 5.800 . 5.800 4.095 4.095 4.095 . 0 0 "[ ]" 1
203 1 40 VAL MG1 2 23 PHE QD 5.800 . 5.800 3.921 3.921 3.921 . 0 0 "[ ]" 1
204 1 40 VAL MG1 2 23 PHE QE 5.800 . 5.800 2.890 2.890 2.890 . 0 0 "[ ]" 1
205 1 40 VAL MG1 2 40 VAL HB 6.300 . 6.300 4.307 4.307 4.307 . 0 0 "[ ]" 1
206 1 40 VAL MG1 2 40 VAL MG2 4.300 . 4.300 2.995 2.995 2.995 . 0 0 "[ ]" 1
207 1 40 VAL MG2 1 41 TYR H 5.800 . 5.800 3.976 3.976 3.976 . 0 0 "[ ]" 1
208 1 40 VAL MG2 2 23 PHE QD 5.800 . 5.800 4.022 4.022 4.022 . 0 0 "[ ]" 1
209 1 40 VAL MG2 2 23 PHE QE 3.800 . 3.800 4.154 4.154 4.154 0.354 1 0 "[ ]" 1
210 1 40 VAL MG2 2 40 VAL HB 6.300 . 6.300 5.562 5.562 5.562 . 0 0 "[ ]" 1
211 1 40 VAL MG2 2 40 VAL MG1 4.300 . 4.300 3.008 3.008 3.008 . 0 0 "[ ]" 1
212 1 41 TYR H 1 42 ILE H 5.500 . 5.500 4.311 4.311 4.311 . 0 0 "[ ]" 1
213 1 41 TYR HA 1 42 ILE H 2.900 . 2.900 2.199 2.199 2.199 . 0 0 "[ ]" 1
214 1 41 TYR HA 2 23 PHE QE 5.500 . 5.500 4.664 4.664 4.664 . 0 0 "[ ]" 1
215 1 41 TYR QB 1 42 ILE H 5.500 . 5.500 3.278 3.278 3.278 . 0 0 "[ ]" 1
216 1 42 ILE H 1 42 ILE MG 4.300 . 4.300 2.292 2.292 2.292 . 0 0 "[ ]" 1
217 1 42 ILE H 1 43 CYS H 5.500 . 5.500 4.421 4.421 4.421 . 0 0 "[ ]" 1
218 1 42 ILE HA 1 43 CYS H 2.900 . 2.900 2.328 2.328 2.328 . 0 0 "[ ]" 1
219 1 42 ILE HB 2 23 PHE QE 5.500 . 5.500 5.032 5.032 5.032 . 0 0 "[ ]" 1
220 1 42 ILE MD 1 43 CYS H 5.800 . 5.800 4.124 4.124 4.124 . 0 0 "[ ]" 1
221 1 42 ILE MD 1 46 CYS H 5.800 . 5.800 5.013 5.013 5.013 . 0 0 "[ ]" 1
222 1 42 ILE MD 1 46 CYS HA 5.800 . 5.800 4.597 4.597 4.597 . 0 0 "[ ]" 1
223 1 42 ILE MD 1 46 CYS QB 5.800 . 5.800 2.184 2.184 2.184 . 0 0 "[ ]" 1
224 1 42 ILE MD 1 47 VAL H 5.800 . 5.800 3.639 3.639 3.639 . 0 0 "[ ]" 1
225 1 42 ILE MD 1 47 VAL HA 5.800 . 5.800 3.647 3.647 3.647 . 0 0 "[ ]" 1
226 1 42 ILE MD 1 48 ASP H 5.800 . 5.800 5.683 5.683 5.683 . 0 0 "[ ]" 1
227 1 42 ILE MD 1 50 CYS H 5.800 . 5.800 5.647 5.647 5.647 . 0 0 "[ ]" 1
228 1 42 ILE MD 2 23 PHE QE 5.800 . 5.800 5.706 5.706 5.706 . 0 0 "[ ]" 1
229 1 42 ILE MD 2 35 ILE MG 5.800 . 5.800 4.033 4.033 4.033 . 0 0 "[ ]" 1
230 1 42 ILE MD 2 42 ILE MD 6.300 . 6.300 2.151 2.151 2.151 . 0 0 "[ ]" 1
231 1 42 ILE MD 2 42 ILE MG 4.300 . 4.300 2.076 2.076 2.076 . 0 0 "[ ]" 1
232 1 42 ILE QG 1 46 CYS H 5.500 . 5.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
233 1 42 ILE QG 1 47 VAL H 5.500 . 5.500 2.972 2.972 2.972 . 0 0 "[ ]" 1
234 1 42 ILE MG 1 43 CYS H 5.800 . 5.800 3.481 3.481 3.481 . 0 0 "[ ]" 1
235 1 42 ILE MG 2 23 PHE QE 3.800 . 3.800 4.112 4.112 4.112 0.312 1 0 "[ ]" 1
236 1 42 ILE MG 2 35 ILE MD 5.800 . 5.800 5.589 5.589 5.589 . 0 0 "[ ]" 1
237 1 42 ILE MG 2 42 ILE MD 6.300 . 6.300 2.074 2.074 2.074 . 0 0 "[ ]" 1
238 1 43 CYS HA 1 44 ASP H 2.900 . 2.900 2.715 2.715 2.715 . 0 0 "[ ]" 1
239 1 43 CYS HA 1 45 GLU H 5.500 . 5.500 4.769 4.769 4.769 . 0 0 "[ ]" 1
240 1 43 CYS QB 1 44 ASP H 3.500 . 3.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
241 1 43 CYS QB 1 45 GLU H 5.500 . 5.500 2.635 2.635 2.635 . 0 0 "[ ]" 1
242 1 44 ASP H 1 45 GLU H 5.500 . 5.500 2.650 2.650 2.650 . 0 0 "[ ]" 1
243 1 44 ASP H 1 47 VAL H 5.500 . 5.500 5.354 5.354 5.354 . 0 0 "[ ]" 1
244 1 44 ASP HA 1 45 GLU H 5.500 . 5.500 3.566 3.566 3.566 . 0 0 "[ ]" 1
245 1 44 ASP QB 2 54 ILE MD 5.800 . 5.800 4.048 4.048 4.048 . 0 0 "[ ]" 1
246 1 45 GLU H 1 46 CYS H 2.900 . 2.900 2.756 2.756 2.756 . 0 0 "[ ]" 1
247 1 45 GLU H 1 47 VAL H 5.500 . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
248 1 45 GLU HA 1 48 ASP H 5.500 . 5.500 3.622 3.622 3.622 . 0 0 "[ ]" 1
249 1 45 GLU HA 1 49 LEU H 3.500 . 3.500 3.567 3.567 3.567 0.067 1 0 "[ ]" 1
250 1 45 GLU QG 1 46 CYS H 5.500 . 5.500 4.081 4.081 4.081 . 0 0 "[ ]" 1
251 1 46 CYS H 1 47 VAL H . . 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
252 1 46 CYS H 1 48 ASP H 5.500 . 5.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
253 1 46 CYS H 1 49 LEU H 5.500 . 5.500 4.708 4.708 4.708 . 0 0 "[ ]" 1
254 1 46 CYS HA 1 47 VAL H 3.500 . 3.500 3.592 3.592 3.592 0.092 1 0 "[ ]" 1
255 1 46 CYS HA 1 49 LEU H 5.500 . 5.500 3.926 3.926 3.926 . 0 0 "[ ]" 1
256 1 46 CYS HA 1 49 LEU MD1 5.800 . 5.800 3.907 3.907 3.907 . 0 0 "[ ]" 1
257 1 46 CYS QB 1 47 VAL H 5.500 . 5.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
258 1 47 VAL H 1 47 VAL HB 3.400 . 3.400 3.616 3.616 3.616 0.216 1 0 "[ ]" 1
259 1 47 VAL H 1 47 VAL QG 3.700 . 3.700 1.874 1.874 1.874 . 0 0 "[ ]" 1
260 1 47 VAL H 1 47 VAL MG2 4.300 . 4.300 2.173 2.173 2.173 . 0 0 "[ ]" 1
261 1 47 VAL H 1 48 ASP H 3.500 . 3.500 2.632 2.632 2.632 . 0 0 "[ ]" 1
262 1 47 VAL H 1 49 LEU H 5.500 . 5.500 4.345 4.345 4.345 . 0 0 "[ ]" 1
263 1 47 VAL HA 1 48 ASP H 5.500 . 5.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
264 1 47 VAL HA 1 49 LEU H 5.500 . 5.500 4.585 4.585 4.585 . 0 0 "[ ]" 1
265 1 47 VAL HA 1 51 ASN H 3.500 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
266 1 47 VAL HA 2 35 ILE MD 6.300 . 6.300 2.919 2.919 2.919 . 0 0 "[ ]" 1
267 1 47 VAL HB 1 48 ASP H 3.500 . 3.500 3.829 3.829 3.829 0.329 1 0 "[ ]" 1
268 1 47 VAL HB 2 35 ILE MD 6.300 . 6.300 2.445 2.445 2.445 . 0 0 "[ ]" 1
269 1 47 VAL MG1 1 48 ASP H 5.800 . 5.800 3.685 3.685 3.685 . 0 0 "[ ]" 1
270 1 47 VAL MG1 2 35 ILE MD 3.700 . 3.700 3.269 3.269 3.269 . 0 0 "[ ]" 1
271 1 47 VAL MG1 2 47 VAL HA 3.800 . 3.800 3.260 3.260 3.260 . 0 0 "[ ]" 1
272 1 47 VAL MG1 2 47 VAL HB 6.300 . 6.300 2.399 2.399 2.399 . 0 0 "[ ]" 1
273 1 47 VAL MG1 2 50 CYS QB 5.800 . 5.800 4.535 4.535 4.535 . 0 0 "[ ]" 1
274 1 47 VAL MG1 2 51 ASN HA 5.800 . 5.800 5.455 5.455 5.455 . 0 0 "[ ]" 1
275 1 47 VAL MG2 2 42 ILE MD 5.800 . 5.800 5.038 5.038 5.038 . 0 0 "[ ]" 1
276 1 47 VAL MG2 2 47 VAL HA 5.800 . 5.800 4.117 4.117 4.117 . 0 0 "[ ]" 1
277 1 47 VAL MG2 2 47 VAL HB 6.300 . 6.300 2.972 2.972 2.972 . 0 0 "[ ]" 1
278 1 48 ASP H 1 48 ASP QB 3.400 . 3.400 2.431 2.431 2.431 . 0 0 "[ ]" 1
279 1 48 ASP HA 1 49 LEU H 5.500 . 5.500 3.579 3.579 3.579 . 0 0 "[ ]" 1
280 1 48 ASP HA 1 50 CYS H 5.500 . 5.500 4.753 4.753 4.753 . 0 0 "[ ]" 1
281 1 48 ASP HA 1 51 ASN H 5.500 . 5.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
282 1 48 ASP HA 1 52 ASP H 5.500 . 5.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
283 1 48 ASP QB 1 49 LEU H 5.500 . 5.500 2.403 2.403 2.403 . 0 0 "[ ]" 1
284 1 49 LEU H 1 49 LEU QB 3.400 . 3.400 2.463 2.463 2.463 . 0 0 "[ ]" 1
285 1 49 LEU H 1 50 CYS H . . 2.900 2.548 2.548 2.548 . 0 0 "[ ]" 1
286 1 49 LEU H 1 51 ASN H 5.500 . 5.500 4.133 4.133 4.133 . 0 0 "[ ]" 1
287 1 49 LEU HA 1 50 CYS H 5.500 . 5.500 3.558 3.558 3.558 . 0 0 "[ ]" 1
288 1 49 LEU QB 1 50 CYS H 3.500 . 3.500 2.537 2.537 2.537 . 0 0 "[ ]" 1
289 1 50 CYS H 1 50 CYS QB 3.400 . 3.400 2.449 2.449 2.449 . 0 0 "[ ]" 1
290 1 50 CYS H 1 52 ASP H 5.500 . 5.500 4.141 4.141 4.141 . 0 0 "[ ]" 1
291 1 50 CYS HA 1 51 ASN H 5.500 . 5.500 3.569 3.569 3.569 . 0 0 "[ ]" 1
292 1 50 CYS HA 1 53 ILE H 5.500 . 5.500 3.369 3.369 3.369 . 0 0 "[ ]" 1
293 1 50 CYS HA 1 53 ILE HB 3.500 . 3.500 2.876 2.876 2.876 . 0 0 "[ ]" 1
294 1 50 CYS QB 1 51 ASN H 5.500 . 5.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
295 1 50 CYS QB 2 35 ILE MD 3.800 . 3.800 1.917 1.917 1.917 . 0 0 "[ ]" 1
296 1 51 ASN H 1 51 ASN QB 3.400 . 3.400 2.463 2.463 2.463 . 0 0 "[ ]" 1
297 1 51 ASN H 1 52 ASP H 3.500 . 3.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
298 1 51 ASN HA 1 54 ILE H 5.500 . 5.500 3.699 3.699 3.699 . 0 0 "[ ]" 1
299 1 51 ASN HA 1 55 ARG H 5.500 . 5.500 3.618 3.618 3.618 . 0 0 "[ ]" 1
300 1 51 ASN HA 2 47 VAL QG 3.800 . 3.800 4.290 4.290 4.290 0.490 1 0 "[ ]" 1
301 1 51 ASN QB 1 52 ASP H 5.500 . 5.500 2.591 2.591 2.591 . 0 0 "[ ]" 1
302 1 51 ASN QB 1 52 ASP HA 5.500 . 5.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
303 1 52 ASP H 1 52 ASP QB 3.400 . 3.400 2.422 2.422 2.422 . 0 0 "[ ]" 1
304 1 52 ASP H 1 54 ILE H 5.500 . 5.500 4.466 4.466 4.466 . 0 0 "[ ]" 1
305 1 52 ASP HA 1 53 ILE H 5.500 . 5.500 3.558 3.558 3.558 . 0 0 "[ ]" 1
306 1 52 ASP QB 1 53 ILE H 5.500 . 5.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
307 1 53 ILE H 1 53 ILE HB 3.400 . 3.400 2.506 2.506 2.506 . 0 0 "[ ]" 1
308 1 53 ILE H 1 54 ILE H 5.500 . 5.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
309 1 53 ILE H 1 54 ILE MG 3.800 . 3.800 3.992 3.992 3.992 0.192 1 0 "[ ]" 1
310 1 53 ILE HA 1 54 ILE H 5.500 . 5.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
311 1 53 ILE HB 1 54 ILE H 2.900 . 2.900 2.316 2.316 2.316 . 0 0 "[ ]" 1
312 1 54 ILE H 1 54 ILE MG 4.300 . 4.300 2.315 2.315 2.315 . 0 0 "[ ]" 1
313 1 54 ILE HA 1 55 ARG H 5.500 . 5.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
314 1 54 ILE MD 2 33 LYS QG 5.800 . 5.800 3.383 3.383 3.383 . 0 0 "[ ]" 1
315 1 54 ILE MG 1 55 ARG H 5.800 . 5.800 1.814 1.814 1.814 . 0 0 "[ ]" 1
316 1 54 ILE MG 2 35 ILE HA 5.800 . 5.800 5.033 5.033 5.033 . 0 0 "[ ]" 1
317 1 55 ARG H 1 55 ARG QB 3.400 . 3.400 2.414 2.414 2.414 . 0 0 "[ ]" 1
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