NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439776 |
2k7b   |
15197 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k7b
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 747
_Distance_constraint_stats_list.Viol_count 665
_Distance_constraint_stats_list.Viol_total 706.446
_Distance_constraint_stats_list.Viol_max 0.566
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0708
_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 2 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 3 SER 0.000 0.000 . 0 "[ . 1 .]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 5 ARG 0.005 0.005 11 0 "[ . 1 .]"
1 6 PRO 0.448 0.230 15 0 "[ . 1 .]"
1 7 GLU 0.932 0.091 14 0 "[ . 1 .]"
1 8 GLU 0.887 0.126 15 0 "[ . 1 .]"
1 9 ILE 1.172 0.230 15 0 "[ . 1 .]"
1 10 GLU 1.849 0.125 6 0 "[ . 1 .]"
1 11 GLU 1.715 0.138 6 0 "[ . 1 .]"
1 12 LEU 0.668 0.123 5 0 "[ . 1 .]"
1 13 ARG 3.168 0.179 4 0 "[ . 1 .]"
1 14 GLU 2.749 0.151 3 0 "[ . 1 .]"
1 15 ALA 0.377 0.078 11 0 "[ . 1 .]"
1 16 PHE 1.804 0.179 4 0 "[ . 1 .]"
1 17 ARG 6.559 0.441 2 0 "[ . 1 .]"
1 18 GLU 0.325 0.078 11 0 "[ . 1 .]"
1 19 PHE 1.131 0.082 7 0 "[ . 1 .]"
1 20 ASP 1.429 0.343 5 0 "[ . 1 .]"
1 21 LYS 0.761 0.142 8 0 "[ . 1 .]"
1 22 ASP 2.132 0.343 5 0 "[ . 1 .]"
1 23 LYS 1.640 0.249 5 0 "[ . 1 .]"
1 24 ASP 1.460 0.279 3 0 "[ . 1 .]"
1 25 GLY 0.385 0.181 7 0 "[ . 1 .]"
1 26 TYR 1.445 0.279 3 0 "[ . 1 .]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 28 ASN 0.161 0.043 3 0 "[ . 1 .]"
1 29 CYS 0.687 0.116 5 0 "[ . 1 .]"
1 30 ARG 1.369 0.189 7 0 "[ . 1 .]"
1 31 ASP 0.388 0.111 7 0 "[ . 1 .]"
1 32 LEU 2.710 0.333 1 0 "[ . 1 .]"
1 33 GLY 0.324 0.080 12 0 "[ . 1 .]"
1 34 ASN 2.582 0.189 7 0 "[ . 1 .]"
1 35 CYS 2.191 0.333 1 0 "[ . 1 .]"
1 36 MET 0.343 0.115 12 0 "[ . 1 .]"
1 37 ARG 0.817 0.147 1 0 "[ . 1 .]"
1 38 THR 0.864 0.169 12 0 "[ . 1 .]"
1 39 MET 1.125 0.115 12 0 "[ . 1 .]"
1 40 GLY 0.443 0.096 1 0 "[ . 1 .]"
1 41 TYR 1.964 0.566 5 1 "[ + 1 .]"
1 42 MET 1.391 0.566 5 1 "[ + 1 .]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 44 THR 2.563 0.399 5 0 "[ . 1 .]"
1 45 GLU 2.423 0.399 5 0 "[ . 1 .]"
1 46 MET 0.735 0.096 1 0 "[ . 1 .]"
1 47 GLU 1.196 0.228 6 0 "[ . 1 .]"
1 48 LEU 0.202 0.052 4 0 "[ . 1 .]"
1 49 ILE 0.359 0.096 1 0 "[ . 1 .]"
1 50 GLU 0.957 0.148 2 0 "[ . 1 .]"
1 51 LEU 0.298 0.052 4 0 "[ . 1 .]"
1 52 SER 2.578 0.153 5 0 "[ . 1 .]"
1 53 GLN 2.562 0.153 5 0 "[ . 1 .]"
1 54 GLN 0.049 0.043 5 0 "[ . 1 .]"
1 55 ILE 1.382 0.128 13 0 "[ . 1 .]"
1 56 ASN 0.134 0.103 4 0 "[ . 1 .]"
1 57 MET 0.460 0.062 5 0 "[ . 1 .]"
1 58 ASN 0.751 0.074 11 0 "[ . 1 .]"
1 59 LEU 2.862 0.141 1 0 "[ . 1 .]"
1 60 GLY 1.189 0.141 1 0 "[ . 1 .]"
1 61 GLY 0.141 0.103 4 0 "[ . 1 .]"
1 62 HIS 0.135 0.043 3 0 "[ . 1 .]"
1 63 VAL 1.979 0.275 11 0 "[ . 1 .]"
1 64 ASP 0.246 0.070 13 0 "[ . 1 .]"
1 65 PHE 0.769 0.108 13 0 "[ . 1 .]"
1 66 ASP 0.975 0.111 5 0 "[ . 1 .]"
1 67 ASP 0.092 0.021 13 0 "[ . 1 .]"
1 68 PHE 6.916 0.441 2 0 "[ . 1 .]"
1 69 VAL 1.031 0.111 5 0 "[ . 1 .]"
1 70 GLU 0.138 0.037 3 0 "[ . 1 .]"
1 71 LEU 1.090 0.143 4 0 "[ . 1 .]"
1 72 MET 0.466 0.104 3 0 "[ . 1 .]"
1 73 GLY 0.148 0.076 2 0 "[ . 1 .]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 75 LYS 0.092 0.076 2 0 "[ . 1 .]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ILE HA 1 65 PHE QE 0.000 . 7.000 4.808 3.947 5.785 . 0 0 "[ . 1 .]" 1
2 1 9 ILE HA 1 65 PHE HZ 0.000 . 5.000 4.089 3.199 4.969 . 0 0 "[ . 1 .]" 1
3 1 9 ILE HA 1 69 VAL MG1 0.000 . 6.500 4.873 4.550 5.286 . 0 0 "[ . 1 .]" 1
4 1 9 ILE MG 1 69 VAL MG1 0.000 . 6.300 3.940 3.737 4.155 . 0 0 "[ . 1 .]" 1
5 1 9 ILE MG 1 69 VAL MG2 0.000 . 8.000 3.044 2.608 3.538 . 0 0 "[ . 1 .]" 1
6 1 9 ILE MD 1 69 VAL MG1 0.000 . 6.300 3.089 2.472 3.460 . 0 0 "[ . 1 .]" 1
7 1 9 ILE MD 1 69 VAL MG2 0.000 . 6.300 3.010 2.193 3.503 . 0 0 "[ . 1 .]" 1
8 1 4 LEU QB 1 9 ILE MD 0.000 . 7.500 4.903 3.904 5.526 . 0 0 "[ . 1 .]" 1
9 1 9 ILE MD 1 69 VAL HA 0.000 . 7.500 5.209 4.563 6.170 . 0 0 "[ . 1 .]" 1
10 1 12 LEU QD 1 69 VAL HB 0.000 . 5.700 4.088 3.933 4.244 . 0 0 "[ . 1 .]" 1
11 1 16 PHE QB 1 68 PHE QD 0.000 . 6.300 2.941 2.628 3.328 . 0 0 "[ . 1 .]" 1
12 1 16 PHE QB 1 68 PHE QE 0.000 . 8.000 2.417 2.179 2.609 . 0 0 "[ . 1 .]" 1
13 1 16 PHE QB 1 65 PHE QD 0.000 . 6.300 2.252 2.119 2.604 . 0 0 "[ . 1 .]" 1
14 1 16 PHE QB 1 65 PHE QE 0.000 . 8.000 2.286 2.038 2.620 . 0 0 "[ . 1 .]" 1
15 1 16 PHE HA 1 27 ILE MG 0.000 . 6.500 3.597 2.913 4.042 . 0 0 "[ . 1 .]" 1
16 1 19 PHE HA 1 27 ILE MG 0.000 . 6.500 4.973 4.462 5.386 . 0 0 "[ . 1 .]" 1
17 1 27 ILE MG 1 32 LEU HA 0.000 . 6.500 4.886 3.816 5.249 . 0 0 "[ . 1 .]" 1
18 1 19 PHE QD 1 27 ILE MD 0.000 . 8.500 4.954 4.496 5.295 . 0 0 "[ . 1 .]" 1
19 1 19 PHE QB 1 27 ILE MD 0.000 . 8.500 3.860 3.388 4.327 . 0 0 "[ . 1 .]" 1
20 1 9 ILE MG 1 65 PHE QE 0.000 . 6.800 2.867 2.143 3.716 . 0 0 "[ . 1 .]" 1
21 1 9 ILE MG 1 65 PHE HZ 0.000 . 4.800 3.139 2.688 3.747 . 0 0 "[ . 1 .]" 1
22 1 9 ILE MG 1 65 PHE QD 0.000 . 8.500 4.693 3.940 5.522 . 0 0 "[ . 1 .]" 1
23 1 9 ILE MD 1 65 PHE QE 0.000 . 6.800 4.296 3.634 4.694 . 0 0 "[ . 1 .]" 1
24 1 9 ILE MD 1 65 PHE HZ 0.000 . 6.500 4.639 4.132 4.975 . 0 0 "[ . 1 .]" 1
25 1 9 ILE MD 1 65 PHE QD 0.000 . 8.500 5.823 4.997 6.308 . 0 0 "[ . 1 .]" 1
26 1 12 LEU MD2 1 69 VAL MG1 0.000 . 8.000 4.429 4.147 4.976 . 0 0 "[ . 1 .]" 1
27 1 12 LEU MD2 1 68 PHE QD 0.000 . 6.400 2.694 2.291 3.483 . 0 0 "[ . 1 .]" 1
28 1 12 LEU MD2 1 68 PHE QE 0.000 . 6.400 2.093 1.925 2.579 . 0 0 "[ . 1 .]" 1
29 1 12 LEU MD2 1 68 PHE HZ 0.000 . 4.400 2.946 2.691 3.201 . 0 0 "[ . 1 .]" 1
30 1 12 LEU MD1 1 69 VAL MG1 0.000 . 5.900 3.100 2.922 3.341 . 0 0 "[ . 1 .]" 1
31 1 12 LEU MD1 1 69 VAL MG2 0.000 . 6.300 2.015 1.758 2.239 . 0 0 "[ . 1 .]" 1
32 1 12 LEU MD1 1 69 VAL HA 0.000 . 4.400 2.543 2.307 2.813 . 0 0 "[ . 1 .]" 1
33 1 12 LEU MD1 1 65 PHE HZ 0.000 . 6.500 3.621 2.334 4.037 . 0 0 "[ . 1 .]" 1
34 1 12 LEU MD1 1 68 PHE QD 0.000 . 6.400 3.854 2.495 4.186 . 0 0 "[ . 1 .]" 1
35 1 12 LEU MD1 1 68 PHE QE 0.000 . 6.400 3.919 2.113 4.310 . 0 0 "[ . 1 .]" 1
36 1 13 ARG HA 1 65 PHE QD 0.000 . 5.300 3.668 3.368 4.088 . 0 0 "[ . 1 .]" 1
37 1 13 ARG HA 1 65 PHE QE 0.000 . 4.900 2.217 2.157 2.320 . 0 0 "[ . 1 .]" 1
38 1 13 ARG HA 1 65 PHE HZ 0.000 . 3.300 2.786 2.266 3.152 . 0 0 "[ . 1 .]" 1
39 1 13 ARG QB 1 65 PHE QE 0.000 . 6.300 3.408 3.091 3.747 . 0 0 "[ . 1 .]" 1
40 1 13 ARG QB 1 65 PHE HZ 0.000 . 4.300 2.748 2.417 3.007 . 0 0 "[ . 1 .]" 1
41 1 15 ALA MB 1 68 PHE HZ 0.000 . 4.400 2.200 1.969 2.494 . 0 0 "[ . 1 .]" 1
42 1 15 ALA MB 1 68 PHE QE 0.000 . 6.800 2.906 2.384 3.508 . 0 0 "[ . 1 .]" 1
43 1 15 ALA MB 1 38 THR MG 0.000 . 5.900 3.661 3.076 3.848 . 0 0 "[ . 1 .]" 1
44 1 15 ALA MB 1 38 THR HB 0.000 . 6.500 4.910 3.650 5.277 . 0 0 "[ . 1 .]" 1
45 1 16 PHE QE 1 25 GLY QA 0.000 . 6.300 3.752 2.599 4.416 . 0 0 "[ . 1 .]" 1
46 1 16 PHE HZ 1 25 GLY QA 0.000 . 7.000 4.555 3.596 4.986 . 0 0 "[ . 1 .]" 1
47 1 26 TYR HA 1 64 ASP HA 0.000 . 5.000 3.063 2.724 3.323 . 0 0 "[ . 1 .]" 1
48 1 27 ILE HA 1 63 VAL MG1 0.000 . 6.500 4.762 4.288 5.156 . 0 0 "[ . 1 .]" 1
49 1 27 ILE HA 1 63 VAL MG2 0.000 . 6.500 5.331 5.270 5.403 . 0 0 "[ . 1 .]" 1
50 1 16 PHE QE 1 27 ILE HA 0.000 . 7.000 5.238 4.896 5.400 . 0 0 "[ . 1 .]" 1
51 1 16 PHE HZ 1 27 ILE MD 0.000 . 4.800 3.840 3.522 4.004 . 0 0 "[ . 1 .]" 1
52 1 16 PHE QE 1 27 ILE MD 0.000 . 6.800 2.440 2.014 2.686 . 0 0 "[ . 1 .]" 1
53 1 16 PHE QD 1 27 ILE MD 0.000 . 6.800 2.308 2.142 2.528 . 0 0 "[ . 1 .]" 1
54 1 27 ILE MD 1 68 PHE QD 0.000 . 6.800 2.167 2.038 2.582 . 0 0 "[ . 1 .]" 1
55 1 27 ILE MD 1 68 PHE QE 0.000 . 6.800 2.916 2.713 3.268 . 0 0 "[ . 1 .]" 1
56 1 27 ILE MD 1 32 LEU QB 0.000 . 7.500 4.198 3.652 4.438 . 0 0 "[ . 1 .]" 1
57 1 27 ILE MD 1 32 LEU HG 0.000 . 4.800 3.245 2.397 4.033 . 0 0 "[ . 1 .]" 1
58 1 16 PHE HA 1 27 ILE MD 0.000 . 6.500 3.050 2.600 3.398 . 0 0 "[ . 1 .]" 1
59 1 16 PHE QB 1 27 ILE MD 0.000 . 7.500 3.744 3.428 4.038 . 0 0 "[ . 1 .]" 1
60 1 27 ILE MD 1 32 LEU HA 0.000 . 5.800 3.689 3.260 3.951 . 0 0 "[ . 1 .]" 1
61 1 27 ILE MD 1 32 LEU MD1 0.000 . 8.000 2.255 1.790 3.541 . 0 0 "[ . 1 .]" 1
62 1 27 ILE MD 1 32 LEU MD2 0.000 . 5.900 2.340 1.702 3.046 . 0 0 "[ . 1 .]" 1
63 1 16 PHE QD 1 27 ILE MG 0.000 . 6.800 3.801 3.300 4.300 . 0 0 "[ . 1 .]" 1
64 1 16 PHE QE 1 27 ILE MG 0.000 . 6.400 3.425 2.916 4.091 . 0 0 "[ . 1 .]" 1
65 1 16 PHE HZ 1 27 ILE MG 0.000 . 5.500 3.628 3.193 4.465 . 0 0 "[ . 1 .]" 1
66 1 19 PHE QB 1 27 ILE MG 0.000 . 5.400 2.822 2.495 3.044 . 0 0 "[ . 1 .]" 1
67 1 19 PHE QD 1 27 ILE MG 0.000 . 6.400 4.334 3.990 4.723 . 0 0 "[ . 1 .]" 1
68 1 20 ASP HA 1 27 ILE MG 0.000 . 4.400 3.192 2.547 3.644 . 0 0 "[ . 1 .]" 1
69 1 20 ASP QB 1 27 ILE MG 0.000 . 5.400 3.121 2.063 3.882 . 0 0 "[ . 1 .]" 1
70 1 27 ILE MG 1 32 LEU QD 0.000 . 5.800 3.172 2.956 3.319 . 0 0 "[ . 1 .]" 1
71 1 28 ASN HA 1 62 HIS HA 0.000 . 3.300 3.052 2.452 3.343 0.043 3 0 "[ . 1 .]" 1
72 1 28 ASN HA 1 62 HIS QB 0.000 . 6.000 4.897 2.775 5.348 . 0 0 "[ . 1 .]" 1
73 1 28 ASN HA 1 62 HIS HD2 0.000 . 5.000 4.058 2.765 5.010 0.010 11 0 "[ . 1 .]" 1
74 1 28 ASN HA 1 61 GLY QA 0.000 . 6.000 4.313 3.844 4.979 . 0 0 "[ . 1 .]" 1
75 1 26 TYR QB 1 28 ASN HA 0.000 . 6.000 5.230 4.924 5.426 . 0 0 "[ . 1 .]" 1
76 1 28 ASN HA 1 63 VAL MG1 0.000 . 6.500 3.770 3.321 4.174 . 0 0 "[ . 1 .]" 1
77 1 29 CYS QB 1 55 ILE MD 0.000 . 5.800 3.967 3.696 4.204 . 0 0 "[ . 1 .]" 1
78 1 29 CYS QB 1 55 ILE MG 0.000 . 7.500 4.769 3.387 5.429 . 0 0 "[ . 1 .]" 1
79 1 32 LEU MD2 1 68 PHE QB 0.000 . 7.500 4.079 3.501 4.741 . 0 0 "[ . 1 .]" 1
80 1 32 LEU MD2 1 71 LEU QB 0.000 . 7.500 4.333 2.900 5.538 . 0 0 "[ . 1 .]" 1
81 1 32 LEU MD1 1 68 PHE QD 0.000 . 6.800 2.916 2.104 3.884 . 0 0 "[ . 1 .]" 1
82 1 32 LEU MD1 1 68 PHE QE 0.000 . 6.800 3.261 2.191 4.174 . 0 0 "[ . 1 .]" 1
83 1 32 LEU MD2 1 68 PHE QD 0.000 . 6.400 2.627 2.156 3.382 . 0 0 "[ . 1 .]" 1
84 1 32 LEU MD2 1 68 PHE QE 0.000 . 6.400 3.359 3.175 3.522 . 0 0 "[ . 1 .]" 1
85 1 32 LEU MD2 1 68 PHE HZ 0.000 . 6.500 5.343 5.261 5.450 . 0 0 "[ . 1 .]" 1
86 1 33 GLY QA 1 48 LEU QD 0.000 . 5.300 1.962 1.823 2.301 . 0 0 "[ . 1 .]" 1
87 1 19 PHE QD 1 34 ASN QB 0.000 . 8.000 3.715 3.326 4.421 . 0 0 "[ . 1 .]" 1
88 1 19 PHE QE 1 34 ASN QB 0.000 . 6.300 2.366 2.076 3.201 . 0 0 "[ . 1 .]" 1
89 1 19 PHE HZ 1 34 ASN QB 0.000 . 4.300 3.378 2.681 3.895 . 0 0 "[ . 1 .]" 1
90 1 19 PHE QD 1 35 CYS HA 0.000 . 5.300 3.680 3.082 3.971 . 0 0 "[ . 1 .]" 1
91 1 19 PHE QE 1 35 CYS HA 0.000 . 4.900 2.419 2.166 2.878 . 0 0 "[ . 1 .]" 1
92 1 19 PHE HZ 1 35 CYS HA 0.000 . 3.300 2.760 2.219 3.382 0.082 7 0 "[ . 1 .]" 1
93 1 27 ILE MD 1 35 CYS QB 0.000 . 5.800 3.793 3.511 4.127 . 0 0 "[ . 1 .]" 1
94 1 19 PHE QD 1 35 CYS QB 0.000 . 6.300 3.064 2.186 3.605 . 0 0 "[ . 1 .]" 1
95 1 19 PHE QE 1 35 CYS QB 0.000 . 6.300 3.327 2.489 3.729 . 0 0 "[ . 1 .]" 1
96 1 19 PHE HZ 1 35 CYS QB 0.000 . 6.000 4.353 3.896 5.199 . 0 0 "[ . 1 .]" 1
97 1 36 MET QG 1 43 PRO QB 0.000 . 7.000 5.221 4.288 5.679 . 0 0 "[ . 1 .]" 1
98 1 36 MET QG 1 43 PRO QG 0.000 . 7.000 4.469 3.916 5.568 . 0 0 "[ . 1 .]" 1
99 1 36 MET QG 1 48 LEU MD1 0.000 . 6.800 3.481 1.982 4.832 . 0 0 "[ . 1 .]" 1
100 1 36 MET QG 1 48 LEU MD2 0.000 . 6.800 3.737 2.075 4.972 . 0 0 "[ . 1 .]" 1
101 1 15 ALA HA 1 38 THR MG 0.000 . 6.500 4.429 3.946 4.907 . 0 0 "[ . 1 .]" 1
102 1 19 PHE QD 1 38 THR MG 0.000 . 6.600 4.359 3.973 4.778 . 0 0 "[ . 1 .]" 1
103 1 19 PHE QE 1 38 THR MG 0.000 . 5.400 2.589 2.099 3.380 . 0 0 "[ . 1 .]" 1
104 1 19 PHE HZ 1 38 THR MG 0.000 . 4.800 3.266 2.560 3.752 . 0 0 "[ . 1 .]" 1
105 1 19 PHE QE 1 38 THR HB 0.000 . 6.300 2.991 2.479 3.895 . 0 0 "[ . 1 .]" 1
106 1 19 PHE HZ 1 38 THR HB 0.000 . 5.000 2.918 2.273 3.648 . 0 0 "[ . 1 .]" 1
107 1 33 GLY QA 1 48 LEU MD1 0.000 . 5.300 2.293 1.833 3.401 . 0 0 "[ . 1 .]" 1
108 1 33 GLY QA 1 48 LEU MD2 0.000 . 5.300 2.767 1.888 3.813 . 0 0 "[ . 1 .]" 1
109 1 32 LEU QB 1 52 SER QB 0.000 . 5.300 3.357 2.818 3.719 . 0 0 "[ . 1 .]" 1
110 1 32 LEU HG 1 52 SER QB 0.000 . 6.000 4.453 2.840 5.604 . 0 0 "[ . 1 .]" 1
111 1 32 LEU MD1 1 52 SER QB 0.000 . 5.800 3.945 3.454 4.301 . 0 0 "[ . 1 .]" 1
112 1 32 LEU MD2 1 52 SER QB 0.000 . 5.800 3.646 2.848 4.365 . 0 0 "[ . 1 .]" 1
113 1 52 SER QB 1 63 VAL MG1 0.000 . 7.500 3.802 3.557 4.007 . 0 0 "[ . 1 .]" 1
114 1 52 SER QB 1 63 VAL MG2 0.000 . 7.500 5.553 5.443 5.672 . 0 0 "[ . 1 .]" 1
115 1 55 ILE MD 1 63 VAL MG1 0.000 . 6.300 2.294 1.863 2.897 . 0 0 "[ . 1 .]" 1
116 1 55 ILE MD 1 63 VAL MG2 0.000 . 6.300 3.712 3.348 4.324 . 0 0 "[ . 1 .]" 1
117 1 55 ILE MD 1 71 LEU HG 0.000 . 4.400 3.405 2.462 3.775 . 0 0 "[ . 1 .]" 1
118 1 55 ILE MD 1 71 LEU QD 0.000 . 6.800 2.897 1.915 3.634 . 0 0 "[ . 1 .]" 1
119 1 28 ASN QB 1 62 HIS HA 0.000 . 6.000 4.817 3.985 5.296 . 0 0 "[ . 1 .]" 1
120 1 26 TYR QB 1 62 HIS QB 0.000 . 5.300 3.180 2.069 4.077 . 0 0 "[ . 1 .]" 1
121 1 26 TYR QD 1 62 HIS QB 0.000 . 7.000 4.178 3.243 5.271 . 0 0 "[ . 1 .]" 1
122 1 27 ILE HB 1 63 VAL MG1 0.000 . 5.800 3.686 3.003 4.060 . 0 0 "[ . 1 .]" 1
123 1 27 ILE MD 1 63 VAL MG1 0.000 . 6.300 2.983 2.544 3.632 . 0 0 "[ . 1 .]" 1
124 1 16 PHE QE 1 63 VAL MG1 0.000 . 6.800 4.126 3.899 4.375 . 0 0 "[ . 1 .]" 1
125 1 26 TYR QD 1 63 VAL MG1 0.000 . 8.500 5.486 4.904 5.990 . 0 0 "[ . 1 .]" 1
126 1 16 PHE QD 1 63 VAL MG1 0.000 . 8.500 5.343 5.000 5.501 . 0 0 "[ . 1 .]" 1
127 1 16 PHE HZ 1 63 VAL MG1 0.000 . 6.500 5.255 5.208 5.346 . 0 0 "[ . 1 .]" 1
128 1 63 VAL MG1 1 68 PHE HA 0.000 . 6.500 4.108 3.728 4.544 . 0 0 "[ . 1 .]" 1
129 1 63 VAL MG1 1 68 PHE QB 0.000 . 5.800 4.029 3.964 4.115 . 0 0 "[ . 1 .]" 1
130 1 63 VAL MG1 1 68 PHE QD 0.000 . 6.800 3.972 3.735 4.225 . 0 0 "[ . 1 .]" 1
131 1 63 VAL MG1 1 68 PHE QE 0.000 . 8.500 5.521 5.203 5.823 . 0 0 "[ . 1 .]" 1
132 1 63 VAL MG2 1 65 PHE QE 0.000 . 8.500 6.259 6.160 6.311 . 0 0 "[ . 1 .]" 1
133 1 13 ARG QG 1 65 PHE QE 0.000 . 8.000 3.723 3.323 4.287 . 0 0 "[ . 1 .]" 1
134 1 13 ARG QG 1 65 PHE HZ 0.000 . 6.000 3.860 3.254 4.619 . 0 0 "[ . 1 .]" 1
135 1 26 TYR QD 1 64 ASP HA 0.000 . 4.900 2.465 2.161 3.111 . 0 0 "[ . 1 .]" 1
136 1 26 TYR QE 1 64 ASP HA 0.000 . 5.300 3.937 3.756 4.172 . 0 0 "[ . 1 .]" 1
137 1 16 PHE QE 1 64 ASP HA 0.000 . 4.900 3.323 3.079 3.737 . 0 0 "[ . 1 .]" 1
138 1 16 PHE HZ 1 64 ASP HA 0.000 . 2.900 2.799 2.458 2.970 0.070 13 0 "[ . 1 .]" 1
139 1 26 TYR QE 1 64 ASP QB 0.000 . 6.300 2.660 2.176 3.520 . 0 0 "[ . 1 .]" 1
140 1 26 TYR QD 1 64 ASP QB 0.000 . 6.300 2.744 2.218 3.256 . 0 0 "[ . 1 .]" 1
141 1 16 PHE QD 1 65 PHE HA 0.000 . 5.300 3.000 2.559 3.543 . 0 0 "[ . 1 .]" 1
142 1 16 PHE QD 1 65 PHE QD 0.000 . 6.900 2.705 2.397 2.941 . 0 0 "[ . 1 .]" 1
143 1 16 PHE QD 1 65 PHE QE 0.000 . 6.900 3.921 3.675 4.103 . 0 0 "[ . 1 .]" 1
144 1 16 PHE QE 1 65 PHE QD 0.000 . 6.900 3.884 3.703 4.027 . 0 0 "[ . 1 .]" 1
145 1 16 PHE QE 1 26 TYR QD 0.000 . 6.900 4.732 3.894 5.200 . 0 0 "[ . 1 .]" 1
146 1 16 PHE HZ 1 26 TYR HA 0.000 . 2.900 2.197 2.145 2.368 . 0 0 "[ . 1 .]" 1
147 1 16 PHE QE 1 26 TYR HA 0.000 . 4.900 3.485 3.310 3.643 . 0 0 "[ . 1 .]" 1
148 1 27 ILE H 1 64 ASP HA 0.000 . 5.000 4.022 3.724 4.274 . 0 0 "[ . 1 .]" 1
149 1 27 ILE H 1 63 VAL H 0.000 . 5.000 3.142 2.649 3.632 . 0 0 "[ . 1 .]" 1
150 1 28 ASN HA 1 63 VAL H 0.000 . 5.000 4.010 3.739 4.250 . 0 0 "[ . 1 .]" 1
151 1 13 ARG H 1 65 PHE QD 0.000 . 7.000 5.459 5.050 6.391 . 0 0 "[ . 1 .]" 1
152 1 13 ARG H 1 65 PHE QE 0.000 . 5.500 3.429 3.058 4.310 . 0 0 "[ . 1 .]" 1
153 1 13 ARG H 1 65 PHE HZ 0.000 . 3.500 2.544 2.197 3.576 0.076 2 0 "[ . 1 .]" 1
154 1 33 GLY H 1 48 LEU QD 0.000 . 5.300 3.663 3.175 4.005 . 0 0 "[ . 1 .]" 1
155 1 19 PHE QE 1 35 CYS H 0.000 . 7.000 3.826 2.487 4.564 . 0 0 "[ . 1 .]" 1
156 1 26 TYR QE 1 64 ASP H 0.000 . 7.000 5.285 4.407 5.829 . 0 0 "[ . 1 .]" 1
157 1 26 TYR QD 1 64 ASP H 0.000 . 7.000 4.113 3.652 4.764 . 0 0 "[ . 1 .]" 1
158 1 26 TYR QB 1 64 ASP H 0.000 . 7.000 4.878 4.028 5.548 . 0 0 "[ . 1 .]" 1
159 1 12 LEU H 1 65 PHE HZ 0.000 . 6.000 4.634 4.107 5.935 . 0 0 "[ . 1 .]" 1
160 1 12 LEU H 1 65 PHE QE 0.000 . 8.000 5.264 4.756 6.295 . 0 0 "[ . 1 .]" 1
161 1 15 ALA H 1 68 PHE QE 0.000 . 7.000 4.455 4.141 5.021 . 0 0 "[ . 1 .]" 1
162 1 15 ALA H 1 68 PHE HZ 0.000 . 5.000 4.722 4.360 4.997 . 0 0 "[ . 1 .]" 1
163 1 16 PHE H 1 65 PHE QD 0.000 . 7.000 4.568 4.354 5.026 . 0 0 "[ . 1 .]" 1
164 1 16 PHE H 1 65 PHE QE 0.000 . 5.500 3.422 3.213 3.628 . 0 0 "[ . 1 .]" 1
165 1 16 PHE H 1 68 PHE HZ 0.000 . 5.000 2.979 2.796 3.229 . 0 0 "[ . 1 .]" 1
166 1 16 PHE H 1 68 PHE QE 0.000 . 5.500 2.753 2.222 3.254 . 0 0 "[ . 1 .]" 1
167 1 16 PHE HZ 1 26 TYR H 0.000 . 5.000 4.527 3.644 4.970 . 0 0 "[ . 1 .]" 1
168 1 26 TYR H 1 62 HIS HD1 0.000 . 7.000 5.404 4.491 6.590 . 0 0 "[ . 1 .]" 1
169 1 19 PHE QE 1 36 MET H 0.000 . 7.000 5.223 4.426 5.569 . 0 0 "[ . 1 .]" 1
170 1 19 PHE HZ 1 36 MET H 0.000 . 6.000 5.775 5.412 6.041 0.041 6 0 "[ . 1 .]" 1
171 1 17 ARG H 1 65 PHE QD 0.000 . 7.000 5.331 5.178 5.571 . 0 0 "[ . 1 .]" 1
172 1 17 ARG H 1 65 PHE QE 0.000 . 7.000 4.906 4.622 5.253 . 0 0 "[ . 1 .]" 1
173 1 17 ARG H 1 68 PHE HZ 0.000 . 5.000 5.357 5.278 5.441 0.441 2 0 "[ . 1 .]" 1
174 1 19 PHE HZ 1 35 CYS H 0.000 . 6.000 4.516 4.026 4.886 . 0 0 "[ . 1 .]" 1
175 1 27 ILE MD 1 32 LEU H 0.000 . 5.000 4.035 3.971 4.155 . 0 0 "[ . 1 .]" 1
176 1 27 ILE QG 1 32 LEU H 0.000 . 6.500 5.136 4.435 5.556 . 0 0 "[ . 1 .]" 1
177 1 19 PHE QE 1 38 THR H 0.000 . 7.000 4.671 4.290 4.962 . 0 0 "[ . 1 .]" 1
178 1 56 ASN HA 1 61 GLY H 0.000 . 3.500 3.197 2.641 3.603 0.103 4 0 "[ . 1 .]" 1
179 1 56 ASN QB 1 61 GLY H 0.000 . 6.000 4.278 3.543 4.926 . 0 0 "[ . 1 .]" 1
180 1 55 ILE MD 1 61 GLY H 0.000 . 5.000 4.031 3.948 4.132 . 0 0 "[ . 1 .]" 1
181 1 55 ILE MG 1 61 GLY H 0.000 . 6.500 2.322 1.708 3.576 . 0 0 "[ . 1 .]" 1
182 1 55 ILE MG 1 60 GLY H 0.000 . 6.500 2.434 1.858 3.196 . 0 0 "[ . 1 .]" 1
183 1 55 ILE MD 1 60 GLY H 0.000 . 6.500 4.797 4.378 5.098 . 0 0 "[ . 1 .]" 1
184 1 56 ASN H 1 61 GLY H 0.000 . 5.000 4.138 3.395 4.553 . 0 0 "[ . 1 .]" 1
185 1 16 PHE QD 1 65 PHE H 0.000 . 7.000 4.567 4.382 4.986 . 0 0 "[ . 1 .]" 1
186 1 16 PHE QE 1 65 PHE H 0.000 . 5.300 3.435 3.177 3.840 . 0 0 "[ . 1 .]" 1
187 1 16 PHE HZ 1 65 PHE H 0.000 . 5.000 3.282 2.835 3.610 . 0 0 "[ . 1 .]" 1
188 1 55 ILE MD 1 62 HIS H 0.000 . 4.400 3.471 3.348 3.584 . 0 0 "[ . 1 .]" 1
189 1 55 ILE MG 1 62 HIS H 0.000 . 5.000 2.593 2.240 3.072 . 0 0 "[ . 1 .]" 1
190 1 26 TYR QE 1 65 PHE H 0.000 . 7.000 5.021 4.169 5.624 . 0 0 "[ . 1 .]" 1
191 1 26 TYR QD 1 65 PHE H 0.000 . 7.000 4.402 3.494 5.303 . 0 0 "[ . 1 .]" 1
192 1 26 TYR HA 1 65 PHE H 0.000 . 5.000 4.632 4.315 4.869 . 0 0 "[ . 1 .]" 1
193 1 16 PHE QE 1 66 ASP H 0.000 . 7.000 5.011 4.716 5.384 . 0 0 "[ . 1 .]" 1
194 1 7 GLU H 1 10 GLU H 0.000 . 5.000 4.914 4.650 5.072 0.072 1 0 "[ . 1 .]" 1
195 1 7 GLU H 1 7 GLU HA 0.000 . 2.900 2.795 2.703 2.940 0.040 1 0 "[ . 1 .]" 1
196 1 7 GLU H 1 7 GLU QB 0.000 . 3.900 2.381 2.048 2.657 . 0 0 "[ . 1 .]" 1
197 1 7 GLU H 1 7 GLU QG 0.000 . 3.900 2.503 1.682 3.910 0.010 8 0 "[ . 1 .]" 1
198 1 8 GLU H 1 8 GLU QB 0.000 . 3.900 2.343 2.218 2.591 . 0 0 "[ . 1 .]" 1
199 1 8 GLU H 1 8 GLU QG 0.000 . 4.500 3.029 1.784 4.083 . 0 0 "[ . 1 .]" 1
200 1 9 ILE H 1 9 ILE HB 0.000 . 2.900 2.592 2.448 2.793 . 0 0 "[ . 1 .]" 1
201 1 9 ILE H 1 9 ILE QG 0.000 . 4.500 1.922 1.670 2.183 . 0 0 "[ . 1 .]" 1
202 1 9 ILE H 1 9 ILE MD 0.000 . 5.000 3.218 2.330 3.824 . 0 0 "[ . 1 .]" 1
203 1 10 GLU H 1 10 GLU HA 0.000 . 2.900 2.881 2.838 2.929 0.029 6 0 "[ . 1 .]" 1
204 1 11 GLU H 1 11 GLU HA 0.000 . 2.900 2.848 2.800 2.888 . 0 0 "[ . 1 .]" 1
205 1 11 GLU H 1 11 GLU QG 0.000 . 4.500 3.383 2.158 4.079 . 0 0 "[ . 1 .]" 1
206 1 11 GLU H 1 11 GLU QB 0.000 . 3.900 2.263 2.056 2.468 . 0 0 "[ . 1 .]" 1
207 1 12 LEU H 1 12 LEU HG 0.000 . 5.000 3.070 2.406 4.572 . 0 0 "[ . 1 .]" 1
208 1 13 ARG H 1 13 ARG QB 0.000 . 3.900 2.201 2.095 2.263 . 0 0 "[ . 1 .]" 1
209 1 13 ARG H 1 13 ARG QD 0.000 . 6.000 4.502 3.890 4.988 . 0 0 "[ . 1 .]" 1
210 1 15 ALA H 1 15 ALA HA 0.000 . 2.900 2.867 2.833 2.886 . 0 0 "[ . 1 .]" 1
211 1 14 GLU H 1 14 GLU QB 0.000 . 3.900 2.157 2.005 2.369 . 0 0 "[ . 1 .]" 1
212 1 14 GLU H 1 14 GLU QG 0.000 . 3.900 3.047 2.310 3.903 0.003 2 0 "[ . 1 .]" 1
213 1 16 PHE H 1 16 PHE QD 0.000 . 4.500 4.170 4.055 4.208 . 0 0 "[ . 1 .]" 1
214 1 16 PHE H 1 16 PHE HA 0.000 . 2.900 2.823 2.791 2.857 . 0 0 "[ . 1 .]" 1
215 1 16 PHE H 1 16 PHE QE 0.000 . 7.000 6.196 6.133 6.224 . 0 0 "[ . 1 .]" 1
216 1 17 ARG H 1 17 ARG QB 0.000 . 3.900 2.268 2.192 2.335 . 0 0 "[ . 1 .]" 1
217 1 18 GLU H 1 18 GLU HA 0.000 . 2.900 2.774 2.751 2.817 . 0 0 "[ . 1 .]" 1
218 1 18 GLU H 1 18 GLU QB 0.000 . 3.900 2.304 2.209 2.544 . 0 0 "[ . 1 .]" 1
219 1 19 PHE H 1 19 PHE HA 0.000 . 2.900 2.965 2.948 2.977 0.077 12 0 "[ . 1 .]" 1
220 1 19 PHE H 1 19 PHE QB 0.000 . 3.900 2.243 2.180 2.295 . 0 0 "[ . 1 .]" 1
221 1 19 PHE H 1 19 PHE QD 0.000 . 4.900 3.080 2.631 3.488 . 0 0 "[ . 1 .]" 1
222 1 20 ASP H 1 20 ASP QB 0.000 . 3.900 2.330 2.230 2.710 . 0 0 "[ . 1 .]" 1
223 1 21 LYS H 1 21 LYS HA 0.000 . 2.900 2.822 2.343 2.987 0.087 14 0 "[ . 1 .]" 1
224 1 21 LYS H 1 21 LYS QB 0.000 . 3.900 2.612 2.238 3.366 . 0 0 "[ . 1 .]" 1
225 1 23 LYS H 1 23 LYS HA 0.000 . 2.900 2.600 2.334 2.975 0.075 7 0 "[ . 1 .]" 1
226 1 23 LYS H 1 23 LYS QG 0.000 . 4.500 3.612 2.404 4.219 . 0 0 "[ . 1 .]" 1
227 1 26 TYR H 1 26 TYR QD 0.000 . 4.500 3.056 1.724 3.546 . 0 0 "[ . 1 .]" 1
228 1 29 CYS H 1 29 CYS QB 0.000 . 3.900 2.361 1.990 2.726 . 0 0 "[ . 1 .]" 1
229 1 31 ASP H 1 31 ASP HA 0.000 . 2.900 2.867 2.794 2.925 0.025 13 0 "[ . 1 .]" 1
230 1 31 ASP H 1 31 ASP QB 0.000 . 3.900 2.355 2.060 2.740 . 0 0 "[ . 1 .]" 1
231 1 32 LEU H 1 32 LEU QB 0.000 . 3.900 2.226 2.061 2.284 . 0 0 "[ . 1 .]" 1
232 1 32 LEU H 1 32 LEU HG 0.000 . 5.000 3.702 3.417 4.492 . 0 0 "[ . 1 .]" 1
233 1 32 LEU H 1 32 LEU MD1 0.000 . 5.000 2.828 1.880 4.095 . 0 0 "[ . 1 .]" 1
234 1 32 LEU H 1 32 LEU MD2 0.000 . 5.000 3.044 1.614 4.052 . 0 0 "[ . 1 .]" 1
235 1 34 ASN H 1 34 ASN QB 0.000 . 3.900 2.298 2.107 2.600 . 0 0 "[ . 1 .]" 1
236 1 35 CYS H 1 35 CYS QB 0.000 . 3.900 2.259 2.147 2.674 . 0 0 "[ . 1 .]" 1
237 1 36 MET H 1 36 MET HA 0.000 . 2.900 2.863 2.826 2.902 0.002 15 0 "[ . 1 .]" 1
238 1 36 MET H 1 36 MET QB 0.000 . 2.900 2.298 2.062 2.418 . 0 0 "[ . 1 .]" 1
239 1 36 MET H 1 36 MET QG 0.000 . 4.500 2.412 2.090 3.020 . 0 0 "[ . 1 .]" 1
240 1 37 ARG H 1 37 ARG QB 0.000 . 3.900 2.182 2.050 2.274 . 0 0 "[ . 1 .]" 1
241 1 38 THR H 1 38 THR HA 0.000 . 2.900 2.909 2.862 2.941 0.041 7 0 "[ . 1 .]" 1
242 1 38 THR H 1 38 THR HB 0.000 . 2.900 2.202 2.131 2.327 . 0 0 "[ . 1 .]" 1
243 1 38 THR H 1 38 THR MG 0.000 . 4.400 3.645 3.569 3.747 . 0 0 "[ . 1 .]" 1
244 1 39 MET H 1 39 MET HA 0.000 . 2.900 2.958 2.839 2.994 0.094 15 0 "[ . 1 .]" 1
245 1 39 MET H 1 39 MET QG 0.000 . 4.500 3.811 3.064 4.136 . 0 0 "[ . 1 .]" 1
246 1 41 TYR H 1 41 TYR HA 0.000 . 2.900 2.446 2.329 2.735 . 0 0 "[ . 1 .]" 1
247 1 41 TYR H 1 41 TYR QB 0.000 . 3.900 2.864 2.169 3.475 . 0 0 "[ . 1 .]" 1
248 1 41 TYR H 1 41 TYR QD 0.000 . 5.500 3.388 1.810 4.464 . 0 0 "[ . 1 .]" 1
249 1 42 MET H 1 42 MET QB 0.000 . 3.900 2.819 2.304 3.244 . 0 0 "[ . 1 .]" 1
250 1 44 THR H 1 44 THR MG 0.000 . 4.400 2.431 1.675 3.922 . 0 0 "[ . 1 .]" 1
251 1 45 GLU H 1 45 GLU HA 0.000 . 2.900 2.932 2.350 2.990 0.090 7 0 "[ . 1 .]" 1
252 1 45 GLU H 1 45 GLU QB 0.000 . 3.900 2.604 2.332 3.507 . 0 0 "[ . 1 .]" 1
253 1 46 MET H 1 46 MET HA 0.000 . 2.900 2.915 2.867 2.985 0.085 8 0 "[ . 1 .]" 1
254 1 46 MET H 1 46 MET QB 0.000 . 3.900 3.127 2.461 3.404 . 0 0 "[ . 1 .]" 1
255 1 46 MET H 1 46 MET QG 0.000 . 4.500 2.704 1.948 4.071 . 0 0 "[ . 1 .]" 1
256 1 47 GLU H 1 47 GLU QB 0.000 . 3.900 2.247 2.056 2.440 . 0 0 "[ . 1 .]" 1
257 1 48 LEU H 1 48 LEU HA 0.000 . 2.900 2.806 2.769 2.840 . 0 0 "[ . 1 .]" 1
258 1 48 LEU H 1 48 LEU QB 0.000 . 3.900 2.641 2.176 2.972 . 0 0 "[ . 1 .]" 1
259 1 49 ILE H 1 49 ILE HA 0.000 . 2.900 2.830 2.736 2.869 . 0 0 "[ . 1 .]" 1
260 1 49 ILE H 1 49 ILE QG 0.000 . 3.900 3.727 2.826 3.863 . 0 0 "[ . 1 .]" 1
261 1 49 ILE H 1 49 ILE MG 0.000 . 4.400 3.229 3.147 3.461 . 0 0 "[ . 1 .]" 1
262 1 49 ILE H 1 49 ILE MD 0.000 . 4.400 2.761 2.444 3.753 . 0 0 "[ . 1 .]" 1
263 1 50 GLU H 1 50 GLU HA 0.000 . 2.900 2.800 2.762 2.847 . 0 0 "[ . 1 .]" 1
264 1 50 GLU H 1 50 GLU QB 0.000 . 3.900 2.231 2.061 2.479 . 0 0 "[ . 1 .]" 1
265 1 50 GLU H 1 50 GLU QG 0.000 . 4.500 3.540 2.037 4.076 . 0 0 "[ . 1 .]" 1
266 1 51 LEU H 1 51 LEU HA 0.000 . 2.900 2.895 2.878 2.916 0.016 5 0 "[ . 1 .]" 1
267 1 51 LEU H 1 51 LEU QB 0.000 . 3.900 2.389 2.104 2.629 . 0 0 "[ . 1 .]" 1
268 1 52 SER H 1 52 SER HA 0.000 . 2.900 2.855 2.819 2.883 . 0 0 "[ . 1 .]" 1
269 1 52 SER H 1 52 SER QB 0.000 . 3.900 2.338 2.136 2.655 . 0 0 "[ . 1 .]" 1
270 1 53 GLN H 1 53 GLN HA 0.000 . 2.900 2.933 2.911 2.955 0.055 1 0 "[ . 1 .]" 1
271 1 53 GLN H 1 53 GLN QB 0.000 . 3.900 2.258 2.170 2.301 . 0 0 "[ . 1 .]" 1
272 1 53 GLN H 1 53 GLN QG 0.000 . 4.500 3.706 2.648 4.071 . 0 0 "[ . 1 .]" 1
273 1 54 GLN H 1 54 GLN HA 0.000 . 2.900 2.823 2.780 2.851 . 0 0 "[ . 1 .]" 1
274 1 54 GLN H 1 54 GLN QB 0.000 . 3.900 2.190 2.083 2.369 . 0 0 "[ . 1 .]" 1
275 1 54 GLN H 1 54 GLN QG 0.000 . 4.500 3.681 2.418 4.073 . 0 0 "[ . 1 .]" 1
276 1 55 ILE H 1 55 ILE HA 0.000 . 2.900 2.780 2.748 2.801 . 0 0 "[ . 1 .]" 1
277 1 55 ILE H 1 55 ILE QG 0.000 . 4.500 2.505 1.862 3.616 . 0 0 "[ . 1 .]" 1
278 1 55 ILE H 1 55 ILE MD 0.000 . 4.400 3.607 3.461 3.755 . 0 0 "[ . 1 .]" 1
279 1 57 MET H 1 57 MET HA 0.000 . 2.900 2.914 2.787 2.962 0.062 5 0 "[ . 1 .]" 1
280 1 57 MET H 1 57 MET QB 0.000 . 3.900 2.246 2.061 2.452 . 0 0 "[ . 1 .]" 1
281 1 56 ASN H 1 56 ASN QB 0.000 . 3.900 2.230 2.093 2.278 . 0 0 "[ . 1 .]" 1
282 1 58 ASN H 1 58 ASN QB 0.000 . 3.900 2.562 2.192 3.321 . 0 0 "[ . 1 .]" 1
283 1 59 LEU H 1 59 LEU HA 0.000 . 2.900 2.943 2.821 2.981 0.081 6 0 "[ . 1 .]" 1
284 1 59 LEU H 1 59 LEU HG 0.000 . 3.500 2.806 1.834 3.640 0.140 5 0 "[ . 1 .]" 1
285 1 63 VAL H 1 63 VAL HB 0.000 . 3.500 3.632 3.547 3.775 0.275 11 0 "[ . 1 .]" 1
286 1 65 PHE H 1 65 PHE QB 0.000 . 3.900 2.270 2.208 2.319 . 0 0 "[ . 1 .]" 1
287 1 66 ASP H 1 66 ASP HA 0.000 . 2.900 2.930 2.914 2.942 0.042 10 0 "[ . 1 .]" 1
288 1 66 ASP H 1 66 ASP QB 0.000 . 3.900 2.359 2.209 2.670 . 0 0 "[ . 1 .]" 1
289 1 67 ASP H 1 67 ASP HA 0.000 . 2.900 2.896 2.863 2.920 0.020 8 0 "[ . 1 .]" 1
290 1 68 PHE H 1 68 PHE QB 0.000 . 3.900 2.158 2.130 2.188 . 0 0 "[ . 1 .]" 1
291 1 69 VAL H 1 69 VAL HB 0.000 . 2.900 2.157 2.116 2.207 . 0 0 "[ . 1 .]" 1
292 1 69 VAL H 1 69 VAL MG1 0.000 . 4.400 3.598 3.546 3.642 . 0 0 "[ . 1 .]" 1
293 1 69 VAL H 1 69 VAL MG2 0.000 . 4.400 2.806 2.667 2.937 . 0 0 "[ . 1 .]" 1
294 1 70 GLU H 1 70 GLU HA 0.000 . 2.900 2.890 2.844 2.919 0.019 2 0 "[ . 1 .]" 1
295 1 71 LEU H 1 71 LEU HA 0.000 . 2.900 2.882 2.794 2.961 0.061 4 0 "[ . 1 .]" 1
296 1 71 LEU H 1 71 LEU QB 0.000 . 3.900 2.159 2.048 2.320 . 0 0 "[ . 1 .]" 1
297 1 71 LEU H 1 71 LEU HG 0.000 . 5.000 3.872 2.512 4.611 . 0 0 "[ . 1 .]" 1
298 1 9 ILE HA 1 9 ILE MD 0.000 . 4.800 2.409 2.000 3.719 . 0 0 "[ . 1 .]" 1
299 1 12 LEU HA 1 12 LEU MD2 0.000 . 4.400 2.180 1.933 2.474 . 0 0 "[ . 1 .]" 1
300 1 32 LEU HA 1 32 LEU MD2 0.000 . 4.400 2.904 2.095 3.622 . 0 0 "[ . 1 .]" 1
301 1 2 ARG H 1 3 SER H 0.000 . 5.000 3.822 1.770 4.664 . 0 0 "[ . 1 .]" 1
302 1 3 SER H 1 4 LEU H 0.000 . 5.000 4.106 2.402 4.629 . 0 0 "[ . 1 .]" 1
303 1 7 GLU QG 1 8 GLU H 0.000 . 4.500 3.239 1.996 4.133 . 0 0 "[ . 1 .]" 1
304 1 8 GLU QB 1 9 ILE H 0.000 . 4.500 2.266 2.008 2.700 . 0 0 "[ . 1 .]" 1
305 1 8 GLU QG 1 9 ILE H 0.000 . 4.500 3.698 3.081 4.120 . 0 0 "[ . 1 .]" 1
306 1 9 ILE QG 1 10 GLU H 0.000 . 4.500 3.913 3.622 4.066 . 0 0 "[ . 1 .]" 1
307 1 11 GLU QB 1 12 LEU H 0.000 . 3.900 2.570 2.301 2.812 . 0 0 "[ . 1 .]" 1
308 1 12 LEU MD1 1 13 ARG H 0.000 . 5.000 4.107 3.028 4.241 . 0 0 "[ . 1 .]" 1
309 1 12 LEU HG 1 13 ARG H 0.000 . 5.000 4.579 4.437 4.774 . 0 0 "[ . 1 .]" 1
310 1 12 LEU QB 1 13 ARG H 0.000 . 4.500 2.291 2.177 2.416 . 0 0 "[ . 1 .]" 1
311 1 13 ARG QB 1 14 GLU H 0.000 . 3.900 2.426 2.198 2.715 . 0 0 "[ . 1 .]" 1
312 1 14 GLU QB 1 15 ALA H 0.000 . 2.900 2.606 2.466 2.731 . 0 0 "[ . 1 .]" 1
313 1 14 GLU QG 1 15 ALA H 0.000 . 6.000 4.306 4.082 4.565 . 0 0 "[ . 1 .]" 1
314 1 15 ALA MB 1 16 PHE H 0.000 . 4.400 2.232 2.045 2.487 . 0 0 "[ . 1 .]" 1
315 1 16 PHE QB 1 17 ARG H 0.000 . 3.900 2.635 2.448 2.766 . 0 0 "[ . 1 .]" 1
316 1 16 PHE QD 1 17 ARG H 0.000 . 5.500 3.691 3.376 4.015 . 0 0 "[ . 1 .]" 1
317 1 17 ARG QB 1 18 GLU H 0.000 . 3.900 2.239 2.003 3.302 . 0 0 "[ . 1 .]" 1
318 1 18 GLU QB 1 19 PHE H 0.000 . 3.900 2.889 2.814 3.023 . 0 0 "[ . 1 .]" 1
319 1 18 GLU QG 1 19 PHE H 0.000 . 4.500 3.979 3.688 4.103 . 0 0 "[ . 1 .]" 1
320 1 19 PHE H 1 20 ASP QB 0.000 . 4.500 3.983 3.845 4.094 . 0 0 "[ . 1 .]" 1
321 1 19 PHE QB 1 20 ASP H 0.000 . 4.500 2.954 2.769 3.121 . 0 0 "[ . 1 .]" 1
322 1 19 PHE QD 1 20 ASP H 0.000 . 7.000 4.591 4.339 4.754 . 0 0 "[ . 1 .]" 1
323 1 20 ASP QB 1 21 LYS H 0.000 . 6.000 3.647 1.626 4.063 . 0 0 "[ . 1 .]" 1
324 1 21 LYS QB 1 22 ASP H 0.000 . 4.500 3.376 2.631 3.912 . 0 0 "[ . 1 .]" 1
325 1 21 LYS QG 1 22 ASP H 0.000 . 4.500 3.531 2.121 4.250 . 0 0 "[ . 1 .]" 1
326 1 22 ASP QB 1 23 LYS H 0.000 . 6.000 3.153 1.874 4.020 . 0 0 "[ . 1 .]" 1
327 1 24 ASP QB 1 25 GLY H 0.000 . 6.000 3.259 2.804 3.880 . 0 0 "[ . 1 .]" 1
328 1 25 GLY H 1 26 TYR QE 0.000 . 7.000 5.663 5.049 6.112 . 0 0 "[ . 1 .]" 1
329 1 25 GLY H 1 26 TYR QD 0.000 . 8.000 4.680 3.849 5.307 . 0 0 "[ . 1 .]" 1
330 1 27 ILE HB 1 28 ASN H 0.000 . 3.900 2.806 2.607 3.024 . 0 0 "[ . 1 .]" 1
331 1 27 ILE QG 1 28 ASN H 0.000 . 6.000 4.188 4.004 4.347 . 0 0 "[ . 1 .]" 1
332 1 28 ASN QB 1 29 CYS H 0.000 . 3.900 2.850 2.551 3.554 . 0 0 "[ . 1 .]" 1
333 1 30 ARG QB 1 31 ASP H 0.000 . 4.500 2.550 1.977 3.464 . 0 0 "[ . 1 .]" 1
334 1 30 ARG QG 1 31 ASP H 0.000 . 6.000 3.864 1.956 4.186 . 0 0 "[ . 1 .]" 1
335 1 31 ASP QB 1 32 LEU H 0.000 . 4.500 2.396 2.182 2.506 . 0 0 "[ . 1 .]" 1
336 1 32 LEU H 1 33 GLY QA 0.000 . 6.000 4.818 4.679 4.973 . 0 0 "[ . 1 .]" 1
337 1 32 LEU QB 1 33 GLY H 0.000 . 4.500 2.363 2.078 2.612 . 0 0 "[ . 1 .]" 1
338 1 32 LEU HG 1 33 GLY H 0.000 . 5.000 4.719 4.423 4.912 . 0 0 "[ . 1 .]" 1
339 1 32 LEU MD2 1 33 GLY H 0.000 . 6.500 4.392 3.901 4.761 . 0 0 "[ . 1 .]" 1
340 1 32 LEU MD1 1 33 GLY H 0.000 . 5.000 4.048 3.422 4.292 . 0 0 "[ . 1 .]" 1
341 1 34 ASN QB 1 35 CYS H 0.000 . 4.500 2.749 2.521 2.883 . 0 0 "[ . 1 .]" 1
342 1 36 MET QB 1 37 ARG H 0.000 . 4.500 2.472 2.136 2.779 . 0 0 "[ . 1 .]" 1
343 1 36 MET QG 1 37 ARG H 0.000 . 6.000 4.031 3.857 4.418 . 0 0 "[ . 1 .]" 1
344 1 35 CYS QB 1 36 MET H 0.000 . 4.500 2.690 2.450 3.219 . 0 0 "[ . 1 .]" 1
345 1 37 ARG QB 1 38 THR H 0.000 . 3.900 2.766 2.429 3.062 . 0 0 "[ . 1 .]" 1
346 1 38 THR HB 1 39 MET H 0.000 . 5.000 3.157 2.787 3.511 . 0 0 "[ . 1 .]" 1
347 1 39 MET QB 1 40 GLY H 0.000 . 6.000 3.033 2.460 3.776 . 0 0 "[ . 1 .]" 1
348 1 39 MET QG 1 40 GLY H 0.000 . 6.000 4.145 2.992 4.834 . 0 0 "[ . 1 .]" 1
349 1 41 TYR QD 1 42 MET H 0.000 . 7.000 4.225 2.701 4.831 . 0 0 "[ . 1 .]" 1
350 1 41 TYR QB 1 42 MET H 0.000 . 6.000 3.417 1.605 4.068 . 0 0 "[ . 1 .]" 1
351 1 42 MET H 1 43 PRO QD 0.000 . 3.900 1.850 1.339 3.176 . 0 0 "[ . 1 .]" 1
352 1 45 GLU QG 1 46 MET H 0.000 . 6.000 4.367 3.374 4.709 . 0 0 "[ . 1 .]" 1
353 1 46 MET QG 1 47 GLU H 0.000 . 6.000 2.873 2.149 4.384 . 0 0 "[ . 1 .]" 1
354 1 48 LEU QB 1 49 ILE H 0.000 . 4.500 3.204 2.140 3.655 . 0 0 "[ . 1 .]" 1
355 1 49 ILE HB 1 50 GLU H 0.000 . 3.900 3.027 2.437 3.147 . 0 0 "[ . 1 .]" 1
356 1 49 ILE QG 1 50 GLU H 0.000 . 6.500 4.280 4.092 4.358 . 0 0 "[ . 1 .]" 1
357 1 50 GLU QB 1 51 LEU H 0.000 . 3.900 2.592 2.520 2.706 . 0 0 "[ . 1 .]" 1
358 1 51 LEU QB 1 52 SER H 0.000 . 3.900 2.221 1.925 2.494 . 0 0 "[ . 1 .]" 1
359 1 52 SER QB 1 53 GLN H 0.000 . 4.500 3.624 3.517 3.706 . 0 0 "[ . 1 .]" 1
360 1 53 GLN QB 1 54 GLN H 0.000 . 4.500 2.606 2.388 3.359 . 0 0 "[ . 1 .]" 1
361 1 56 ASN QB 1 57 MET H 0.000 . 4.500 2.999 2.472 3.683 . 0 0 "[ . 1 .]" 1
362 1 57 MET QB 1 58 ASN H 0.000 . 4.500 3.216 2.714 3.718 . 0 0 "[ . 1 .]" 1
363 1 58 ASN QB 1 59 LEU H 0.000 . 3.900 2.066 1.731 2.480 . 0 0 "[ . 1 .]" 1
364 1 59 LEU QB 1 60 GLY H 0.000 . 6.000 1.918 1.668 2.769 . 0 0 "[ . 1 .]" 1
365 1 59 LEU HG 1 60 GLY H 0.000 . 6.000 4.074 2.240 4.502 . 0 0 "[ . 1 .]" 1
366 1 60 GLY H 1 61 GLY QA 0.000 . 6.000 4.063 3.677 4.330 . 0 0 "[ . 1 .]" 1
367 1 61 GLY H 1 62 HIS H 0.000 . 2.900 2.358 1.805 2.601 . 0 0 "[ . 1 .]" 1
368 1 61 GLY QA 1 62 HIS H 0.000 . 3.900 2.755 2.638 2.842 . 0 0 "[ . 1 .]" 1
369 1 62 HIS QB 1 63 VAL H 0.000 . 3.900 3.405 2.545 3.611 . 0 0 "[ . 1 .]" 1
370 1 64 ASP H 1 65 PHE H 0.000 . 5.000 4.559 4.526 4.600 . 0 0 "[ . 1 .]" 1
371 1 63 VAL MG1 1 64 ASP H 0.000 . 5.000 4.265 4.216 4.293 . 0 0 "[ . 1 .]" 1
372 1 63 VAL MG2 1 64 ASP H 0.000 . 5.000 2.733 2.613 2.814 . 0 0 "[ . 1 .]" 1
373 1 64 ASP HA 1 65 PHE H 0.000 . 2.900 2.436 2.411 2.464 . 0 0 "[ . 1 .]" 1
374 1 64 ASP QB 1 65 PHE H 0.000 . 4.500 2.863 2.550 3.414 . 0 0 "[ . 1 .]" 1
375 1 66 ASP QB 1 67 ASP H 0.000 . 4.500 2.484 2.235 3.225 . 0 0 "[ . 1 .]" 1
376 1 67 ASP QB 1 68 PHE H 0.000 . 4.500 2.682 2.377 2.973 . 0 0 "[ . 1 .]" 1
377 1 68 PHE QB 1 69 VAL H 0.000 . 4.500 2.284 2.039 2.453 . 0 0 "[ . 1 .]" 1
378 1 69 VAL HB 1 70 GLU H 0.000 . 2.900 2.828 2.696 2.937 0.037 3 0 "[ . 1 .]" 1
379 1 69 VAL MG2 1 70 GLU H 0.000 . 5.000 4.103 4.047 4.150 . 0 0 "[ . 1 .]" 1
380 1 69 VAL MG1 1 70 GLU H 0.000 . 5.000 2.980 2.548 3.156 . 0 0 "[ . 1 .]" 1
381 1 70 GLU QB 1 71 LEU H 0.000 . 4.500 2.697 2.312 3.093 . 0 0 "[ . 1 .]" 1
382 1 70 GLU QG 1 71 LEU H 0.000 . 6.000 4.106 3.627 4.697 . 0 0 "[ . 1 .]" 1
383 1 71 LEU QB 1 72 MET H 0.000 . 4.500 2.770 2.540 2.967 . 0 0 "[ . 1 .]" 1
384 1 72 MET QB 1 73 GLY H 0.000 . 4.500 3.082 2.637 3.208 . 0 0 "[ . 1 .]" 1
385 1 72 MET QG 1 73 GLY H 0.000 . 6.000 4.278 3.739 4.763 . 0 0 "[ . 1 .]" 1
386 1 73 GLY H 1 74 PRO QG 0.000 . 6.000 4.172 3.695 4.393 . 0 0 "[ . 1 .]" 1
387 1 73 GLY H 1 74 PRO QB 0.000 . 6.000 5.334 4.977 5.485 . 0 0 "[ . 1 .]" 1
388 1 28 ASN QB 1 29 CYS QB 0.000 . 7.000 4.496 3.880 5.147 . 0 0 "[ . 1 .]" 1
389 1 29 CYS QB 1 30 ARG QB 0.000 . 7.000 5.010 4.446 5.513 . 0 0 "[ . 1 .]" 1
390 1 35 CYS QB 1 36 MET QG 0.000 . 6.000 3.325 2.957 4.256 . 0 0 "[ . 1 .]" 1
391 1 43 PRO QG 1 44 THR MG 0.000 . 7.500 5.317 4.754 5.763 . 0 0 "[ . 1 .]" 1
392 1 52 SER HA 1 53 GLN H 0.000 . 3.300 3.380 3.334 3.453 0.153 5 0 "[ . 1 .]" 1
393 1 51 LEU QB 1 52 SER HA 0.000 . 4.300 3.777 3.711 3.852 . 0 0 "[ . 1 .]" 1
394 1 61 GLY QA 1 62 HIS HA 0.000 . 6.000 4.011 3.988 4.049 . 0 0 "[ . 1 .]" 1
395 1 62 HIS HA 1 63 VAL MG1 0.000 . 6.500 3.059 2.782 3.258 . 0 0 "[ . 1 .]" 1
396 1 62 HIS HA 1 63 VAL MG2 0.000 . 6.500 4.985 4.725 5.156 . 0 0 "[ . 1 .]" 1
397 1 7 GLU HA 1 10 GLU QB 0.000 . 3.900 2.625 2.367 3.245 . 0 0 "[ . 1 .]" 1
398 1 8 GLU HA 1 11 GLU QB 0.000 . 3.900 2.985 2.569 3.308 . 0 0 "[ . 1 .]" 1
399 1 9 ILE HA 1 12 LEU QB 0.000 . 3.900 2.530 2.250 2.744 . 0 0 "[ . 1 .]" 1
400 1 10 GLU HA 1 13 ARG QB 0.000 . 3.900 2.813 2.560 3.056 . 0 0 "[ . 1 .]" 1
401 1 11 GLU HA 1 14 GLU QB 0.000 . 3.900 2.753 2.605 3.008 . 0 0 "[ . 1 .]" 1
402 1 12 LEU HA 1 15 ALA MB 0.000 . 4.400 2.620 2.154 3.052 . 0 0 "[ . 1 .]" 1
403 1 13 ARG HA 1 16 PHE QB 0.000 . 3.900 2.798 2.520 3.114 . 0 0 "[ . 1 .]" 1
404 1 14 GLU HA 1 17 ARG QB 0.000 . 3.900 2.680 2.264 3.280 . 0 0 "[ . 1 .]" 1
405 1 15 ALA HA 1 18 GLU QB 0.000 . 3.900 2.539 2.345 2.794 . 0 0 "[ . 1 .]" 1
406 1 16 PHE HA 1 19 PHE QB 0.000 . 3.900 3.135 2.852 3.267 . 0 0 "[ . 1 .]" 1
407 1 17 ARG HA 1 20 ASP QB 0.000 . 3.900 2.208 1.953 2.955 . 0 0 "[ . 1 .]" 1
408 1 29 CYS HA 1 32 LEU QB 0.000 . 4.400 2.588 1.986 3.229 . 0 0 "[ . 1 .]" 1
409 1 31 ASP HA 1 34 ASN QB 0.000 . 3.900 3.000 2.674 3.327 . 0 0 "[ . 1 .]" 1
410 1 32 LEU HA 1 35 CYS QB 0.000 . 3.900 2.143 1.959 2.448 . 0 0 "[ . 1 .]" 1
411 1 33 GLY QA 1 36 MET QB 0.000 . 4.300 2.677 2.150 2.795 . 0 0 "[ . 1 .]" 1
412 1 34 ASN HA 1 37 ARG QB 0.000 . 3.900 2.865 2.605 3.107 . 0 0 "[ . 1 .]" 1
413 1 35 CYS HA 1 38 THR HB 0.000 . 2.900 2.401 2.195 2.778 . 0 0 "[ . 1 .]" 1
414 1 46 MET HA 1 49 ILE HB 0.000 . 2.900 2.672 2.344 2.895 . 0 0 "[ . 1 .]" 1
415 1 47 GLU HA 1 50 GLU QB 0.000 . 3.900 2.854 2.455 3.251 . 0 0 "[ . 1 .]" 1
416 1 48 LEU HA 1 51 LEU H 0.000 . 3.500 3.440 3.251 3.552 0.052 4 0 "[ . 1 .]" 1
417 1 49 ILE HA 1 52 SER QB 0.000 . 3.900 3.419 3.044 3.601 . 0 0 "[ . 1 .]" 1
418 1 50 GLU HA 1 53 GLN QB 0.000 . 4.300 2.283 2.150 3.045 . 0 0 "[ . 1 .]" 1
419 1 51 LEU HA 1 54 GLN QB 0.000 . 3.900 2.806 2.409 3.180 . 0 0 "[ . 1 .]" 1
420 1 52 SER HA 1 55 ILE HB 0.000 . 5.000 3.260 2.465 3.999 . 0 0 "[ . 1 .]" 1
421 1 53 GLN HA 1 56 ASN QB 0.000 . 3.900 3.468 3.046 3.639 . 0 0 "[ . 1 .]" 1
422 1 66 ASP HA 1 69 VAL HB 0.000 . 3.300 2.865 2.720 2.910 . 0 0 "[ . 1 .]" 1
423 1 67 ASP HA 1 70 GLU QB 0.000 . 3.900 2.252 2.080 2.457 . 0 0 "[ . 1 .]" 1
424 1 68 PHE HA 1 71 LEU QB 0.000 . 3.900 2.757 2.436 2.940 . 0 0 "[ . 1 .]" 1
425 1 69 VAL HA 1 72 MET QB 0.000 . 3.900 3.012 2.410 3.504 . 0 0 "[ . 1 .]" 1
426 1 7 GLU H 1 8 GLU H 0.000 . 2.900 2.808 2.330 2.965 0.065 11 0 "[ . 1 .]" 1
427 1 8 GLU H 1 9 ILE H 0.000 . 2.900 2.793 2.614 2.931 0.031 3 0 "[ . 1 .]" 1
428 1 9 ILE H 1 10 GLU H 0.000 . 2.900 2.684 2.413 2.828 . 0 0 "[ . 1 .]" 1
429 1 10 GLU H 1 11 GLU H 0.000 . 2.900 2.649 2.435 2.826 . 0 0 "[ . 1 .]" 1
430 1 11 GLU H 1 12 LEU H 0.000 . 2.900 2.674 2.517 2.884 . 0 0 "[ . 1 .]" 1
431 1 12 LEU H 1 13 ARG H 0.000 . 2.900 2.758 2.627 2.886 . 0 0 "[ . 1 .]" 1
432 1 13 ARG H 1 14 GLU H 0.000 . 2.900 2.911 2.793 2.978 0.078 11 0 "[ . 1 .]" 1
433 1 14 GLU H 1 15 ALA H 0.000 . 2.900 2.675 2.494 2.944 0.044 11 0 "[ . 1 .]" 1
434 1 15 ALA H 1 16 PHE H 0.000 . 2.900 2.774 2.629 2.908 0.008 2 0 "[ . 1 .]" 1
435 1 16 PHE H 1 17 ARG H 0.000 . 2.900 2.659 2.556 2.771 . 0 0 "[ . 1 .]" 1
436 1 17 ARG H 1 18 GLU H 0.000 . 2.900 2.601 2.407 2.744 . 0 0 "[ . 1 .]" 1
437 1 18 GLU H 1 19 PHE H 0.000 . 2.900 2.746 2.590 2.828 . 0 0 "[ . 1 .]" 1
438 1 19 PHE H 1 20 ASP H 0.000 . 2.900 2.117 2.024 2.206 . 0 0 "[ . 1 .]" 1
439 1 20 ASP H 1 21 LYS H 0.000 . 5.000 3.559 2.994 4.344 . 0 0 "[ . 1 .]" 1
440 1 21 LYS H 1 22 ASP H 0.000 . 5.000 2.459 1.297 3.178 . 0 0 "[ . 1 .]" 1
441 1 22 ASP H 1 23 LYS H 0.000 . 2.900 2.786 2.249 3.149 0.249 5 0 "[ . 1 .]" 1
442 1 23 LYS H 1 24 ASP H 0.000 . 3.500 2.839 1.798 3.369 . 0 0 "[ . 1 .]" 1
443 1 24 ASP H 1 25 GLY H 0.000 . 2.900 1.796 1.512 2.608 . 0 0 "[ . 1 .]" 1
444 1 25 GLY H 1 26 TYR H 0.000 . 2.900 2.496 1.760 2.921 0.021 3 0 "[ . 1 .]" 1
445 1 26 TYR H 1 27 ILE H 0.000 . 5.000 4.422 4.334 4.582 . 0 0 "[ . 1 .]" 1
446 1 28 ASN H 1 29 CYS H 0.000 . 6.000 4.582 4.504 4.611 . 0 0 "[ . 1 .]" 1
447 1 29 CYS H 1 30 ARG H 0.000 . 5.000 2.781 2.680 2.905 . 0 0 "[ . 1 .]" 1
448 1 32 LEU H 1 33 GLY H 0.000 . 3.500 3.050 2.824 3.307 . 0 0 "[ . 1 .]" 1
449 1 33 GLY H 1 34 ASN H 0.000 . 2.900 2.878 2.771 2.980 0.080 12 0 "[ . 1 .]" 1
450 1 34 ASN H 1 35 CYS H 0.000 . 2.900 2.390 2.297 2.555 . 0 0 "[ . 1 .]" 1
451 1 35 CYS H 1 36 MET H 0.000 . 2.900 2.370 2.285 2.486 . 0 0 "[ . 1 .]" 1
452 1 36 MET H 1 37 ARG H 0.000 . 2.900 2.617 2.494 2.751 . 0 0 "[ . 1 .]" 1
453 1 37 ARG H 1 38 THR H 0.000 . 2.900 2.541 2.339 2.703 . 0 0 "[ . 1 .]" 1
454 1 38 THR H 1 39 MET H 0.000 . 2.900 2.463 2.274 2.587 . 0 0 "[ . 1 .]" 1
455 1 39 MET H 1 40 GLY H 0.000 . 2.900 2.213 1.741 2.772 . 0 0 "[ . 1 .]" 1
456 1 40 GLY H 1 41 TYR H 0.000 . 2.900 2.259 1.566 2.956 0.056 4 0 "[ . 1 .]" 1
457 1 41 TYR H 1 42 MET H 0.000 . 5.000 3.499 2.725 4.606 . 0 0 "[ . 1 .]" 1
458 1 44 THR H 1 45 GLU H 0.000 . 5.000 4.072 2.296 4.460 . 0 0 "[ . 1 .]" 1
459 1 45 GLU H 1 46 MET H 0.000 . 2.900 2.142 1.363 2.657 . 0 0 "[ . 1 .]" 1
460 1 46 MET H 1 47 GLU H 0.000 . 2.900 1.555 1.414 1.796 . 0 0 "[ . 1 .]" 1
461 1 47 GLU H 1 48 LEU H 0.000 . 2.900 2.587 2.300 2.703 . 0 0 "[ . 1 .]" 1
462 1 48 LEU H 1 49 ILE H 0.000 . 2.900 2.687 2.449 2.860 . 0 0 "[ . 1 .]" 1
463 1 49 ILE H 1 50 GLU H 0.000 . 2.900 2.701 2.593 2.926 0.026 7 0 "[ . 1 .]" 1
464 1 50 GLU H 1 51 LEU H 0.000 . 2.900 2.752 2.637 2.862 . 0 0 "[ . 1 .]" 1
465 1 51 LEU H 1 52 SER H 0.000 . 2.900 2.680 2.520 2.817 . 0 0 "[ . 1 .]" 1
466 1 52 SER H 1 53 GLN H 0.000 . 2.900 2.563 2.503 2.614 . 0 0 "[ . 1 .]" 1
467 1 53 GLN H 1 54 GLN H 0.000 . 5.000 2.316 2.142 2.444 . 0 0 "[ . 1 .]" 1
468 1 54 GLN H 1 55 ILE H 0.000 . 2.900 2.637 2.533 2.715 . 0 0 "[ . 1 .]" 1
469 1 55 ILE H 1 56 ASN H 0.000 . 5.000 2.807 2.754 2.921 . 0 0 "[ . 1 .]" 1
470 1 56 ASN H 1 57 MET H 0.000 . 2.900 2.826 2.738 2.917 0.017 5 0 "[ . 1 .]" 1
471 1 57 MET H 1 58 ASN H 0.000 . 5.000 2.548 2.217 2.845 . 0 0 "[ . 1 .]" 1
472 1 58 ASN H 1 59 LEU H 0.000 . 2.900 2.635 2.008 2.920 0.020 13 0 "[ . 1 .]" 1
473 1 59 LEU H 1 60 GLY H 0.000 . 2.900 2.891 2.128 3.041 0.141 1 0 "[ . 1 .]" 1
474 1 60 GLY H 1 61 GLY H 0.000 . 2.900 2.302 1.574 2.924 0.024 4 0 "[ . 1 .]" 1
475 1 7 GLU H 1 9 ILE H 0.000 . 5.000 4.598 3.761 5.005 0.005 10 0 "[ . 1 .]" 1
476 1 8 GLU H 1 10 GLU H 0.000 . 5.000 3.934 3.507 4.329 . 0 0 "[ . 1 .]" 1
477 1 9 ILE H 1 11 GLU H 0.000 . 5.000 4.424 4.190 4.688 . 0 0 "[ . 1 .]" 1
478 1 11 GLU H 1 13 ARG H 0.000 . 5.000 4.430 4.141 4.572 . 0 0 "[ . 1 .]" 1
479 1 12 LEU H 1 14 GLU H 0.000 . 5.000 4.169 3.954 4.520 . 0 0 "[ . 1 .]" 1
480 1 13 ARG H 1 15 ALA H 0.000 . 5.000 4.257 4.052 4.546 . 0 0 "[ . 1 .]" 1
481 1 14 GLU H 1 16 PHE H 0.000 . 5.000 4.415 4.168 4.666 . 0 0 "[ . 1 .]" 1
482 1 15 ALA H 1 17 ARG H 0.000 . 5.000 3.844 3.667 4.043 . 0 0 "[ . 1 .]" 1
483 1 16 PHE H 1 18 GLU H 0.000 . 5.000 4.559 4.160 4.830 . 0 0 "[ . 1 .]" 1
484 1 17 ARG H 1 19 PHE H 0.000 . 5.000 3.622 3.523 3.715 . 0 0 "[ . 1 .]" 1
485 1 18 GLU H 1 20 ASP H 0.000 . 5.000 4.022 3.883 4.126 . 0 0 "[ . 1 .]" 1
486 1 20 ASP H 1 22 ASP H 0.000 . 5.000 5.072 4.807 5.343 0.343 5 0 "[ . 1 .]" 1
487 1 21 LYS H 1 23 LYS H 0.000 . 5.000 4.504 3.583 5.142 0.142 8 0 "[ . 1 .]" 1
488 1 22 ASP H 1 24 ASP H 0.000 . 5.000 4.664 4.174 5.018 0.018 8 0 "[ . 1 .]" 1
489 1 24 ASP H 1 26 TYR H 0.000 . 3.500 3.584 3.402 3.779 0.279 3 0 "[ . 1 .]" 1
490 1 23 LYS H 1 25 GLY H 0.000 . 5.000 4.188 2.865 5.050 0.050 3 0 "[ . 1 .]" 1
491 1 28 ASN H 1 30 ARG H 0.000 . 5.000 4.526 4.170 5.026 0.026 11 0 "[ . 1 .]" 1
492 1 32 LEU H 1 34 ASN H 0.000 . 5.000 4.229 4.083 4.338 . 0 0 "[ . 1 .]" 1
493 1 34 ASN H 1 36 MET H 0.000 . 5.000 3.836 3.662 3.997 . 0 0 "[ . 1 .]" 1
494 1 35 CYS H 1 37 ARG H 0.000 . 5.000 4.030 3.792 4.428 . 0 0 "[ . 1 .]" 1
495 1 36 MET H 1 38 THR H 0.000 . 5.000 3.887 3.562 4.140 . 0 0 "[ . 1 .]" 1
496 1 37 ARG H 1 39 MET H 0.000 . 5.000 3.968 3.683 4.306 . 0 0 "[ . 1 .]" 1
497 1 39 MET H 1 41 TYR H 0.000 . 5.000 3.947 3.284 4.961 . 0 0 "[ . 1 .]" 1
498 1 38 THR H 1 40 GLY H 0.000 . 6.000 3.935 3.516 4.450 . 0 0 "[ . 1 .]" 1
499 1 40 GLY H 1 42 MET H 0.000 . 6.000 4.775 3.454 6.057 0.057 10 0 "[ . 1 .]" 1
500 1 44 THR H 1 46 MET H 0.000 . 6.000 4.382 3.890 4.671 . 0 0 "[ . 1 .]" 1
501 1 45 GLU H 1 47 GLU H 0.000 . 6.000 3.201 2.193 3.837 . 0 0 "[ . 1 .]" 1
502 1 46 MET H 1 48 LEU H 0.000 . 5.000 3.416 3.138 3.596 . 0 0 "[ . 1 .]" 1
503 1 47 GLU H 1 49 ILE H 0.000 . 5.000 3.869 3.275 4.359 . 0 0 "[ . 1 .]" 1
504 1 49 ILE H 1 51 LEU H 0.000 . 5.000 4.025 3.796 4.269 . 0 0 "[ . 1 .]" 1
505 1 50 GLU H 1 52 SER H 0.000 . 5.000 4.507 4.327 4.741 . 0 0 "[ . 1 .]" 1
506 1 51 LEU H 1 53 GLN H 0.000 . 5.000 3.539 3.460 3.660 . 0 0 "[ . 1 .]" 1
507 1 52 SER H 1 54 GLN H 0.000 . 5.000 4.222 4.007 4.575 . 0 0 "[ . 1 .]" 1
508 1 53 GLN H 1 55 ILE H 0.000 . 5.000 3.796 3.552 4.047 . 0 0 "[ . 1 .]" 1
509 1 54 GLN H 1 56 ASN H 0.000 . 5.000 4.174 4.042 4.369 . 0 0 "[ . 1 .]" 1
510 1 55 ILE H 1 57 MET H 0.000 . 5.000 4.313 4.190 4.560 . 0 0 "[ . 1 .]" 1
511 1 56 ASN H 1 58 ASN H 0.000 . 5.000 4.340 3.854 4.796 . 0 0 "[ . 1 .]" 1
512 1 57 MET H 1 59 LEU H 0.000 . 5.000 4.654 4.071 5.030 0.030 13 0 "[ . 1 .]" 1
513 1 7 GLU HA 1 8 GLU H 0.000 . 5.000 3.497 3.428 3.558 . 0 0 "[ . 1 .]" 1
514 1 8 GLU HA 1 9 ILE H 0.000 . 5.000 3.558 3.490 3.582 . 0 0 "[ . 1 .]" 1
515 1 9 ILE HA 1 10 GLU H 0.000 . 5.000 3.496 3.380 3.543 . 0 0 "[ . 1 .]" 1
516 1 10 GLU HA 1 11 GLU H 0.000 . 5.000 3.557 3.537 3.580 . 0 0 "[ . 1 .]" 1
517 1 11 GLU HA 1 12 LEU H 0.000 . 5.000 3.522 3.478 3.559 . 0 0 "[ . 1 .]" 1
518 1 12 LEU HA 1 13 ARG H 0.000 . 5.000 3.549 3.526 3.556 . 0 0 "[ . 1 .]" 1
519 1 13 ARG HA 1 14 GLU H 0.000 . 5.000 3.554 3.533 3.580 . 0 0 "[ . 1 .]" 1
520 1 14 GLU HA 1 15 ALA H 0.000 . 5.000 3.529 3.505 3.561 . 0 0 "[ . 1 .]" 1
521 1 15 ALA HA 1 16 PHE H 0.000 . 5.000 3.581 3.559 3.598 . 0 0 "[ . 1 .]" 1
522 1 16 PHE HA 1 17 ARG H 0.000 . 5.000 3.464 3.429 3.498 . 0 0 "[ . 1 .]" 1
523 1 17 ARG HA 1 18 GLU H 0.000 . 5.000 3.572 3.547 3.581 . 0 0 "[ . 1 .]" 1
524 1 18 GLU HA 1 19 PHE H 0.000 . 5.000 3.416 3.380 3.445 . 0 0 "[ . 1 .]" 1
525 1 19 PHE HA 1 20 ASP H 0.000 . 5.000 3.479 3.391 3.547 . 0 0 "[ . 1 .]" 1
526 1 20 ASP HA 1 21 LYS H 0.000 . 3.500 2.663 2.145 3.443 . 0 0 "[ . 1 .]" 1
527 1 21 LYS HA 1 22 ASP H 0.000 . 4.500 3.313 3.164 3.488 . 0 0 "[ . 1 .]" 1
528 1 22 ASP HA 1 23 LYS H 0.000 . 5.000 3.245 2.304 3.570 . 0 0 "[ . 1 .]" 1
529 1 23 LYS HA 1 24 ASP H 0.000 . 3.500 2.761 2.292 3.519 0.019 15 0 "[ . 1 .]" 1
530 1 24 ASP HA 1 25 GLY H 0.000 . 5.000 3.384 3.092 3.503 . 0 0 "[ . 1 .]" 1
531 1 25 GLY QA 1 26 TYR H 0.000 . 4.500 2.888 2.571 2.927 . 0 0 "[ . 1 .]" 1
532 1 26 TYR HA 1 27 ILE H 0.000 . 2.900 2.272 2.182 2.363 . 0 0 "[ . 1 .]" 1
533 1 27 ILE HA 1 28 ASN H 0.000 . 2.900 2.272 2.208 2.332 . 0 0 "[ . 1 .]" 1
534 1 28 ASN HA 1 29 CYS H 0.000 . 2.900 2.302 2.233 2.367 . 0 0 "[ . 1 .]" 1
535 1 29 CYS HA 1 30 ARG H 0.000 . 5.000 3.452 3.372 3.535 . 0 0 "[ . 1 .]" 1
536 1 30 ARG HA 1 31 ASP H 0.000 . 5.000 3.519 3.426 3.585 . 0 0 "[ . 1 .]" 1
537 1 31 ASP HA 1 32 LEU H 0.000 . 5.000 3.556 3.519 3.596 . 0 0 "[ . 1 .]" 1
538 1 32 LEU HA 1 33 GLY H 0.000 . 5.000 3.562 3.533 3.589 . 0 0 "[ . 1 .]" 1
539 1 33 GLY QA 1 34 ASN H 0.000 . 4.500 2.702 2.679 2.751 . 0 0 "[ . 1 .]" 1
540 1 34 ASN HA 1 35 CYS H 0.000 . 5.000 3.527 3.488 3.570 . 0 0 "[ . 1 .]" 1
541 1 35 CYS HA 1 36 MET H 0.000 . 5.000 3.484 3.438 3.510 . 0 0 "[ . 1 .]" 1
542 1 36 MET HA 1 37 ARG H 0.000 . 5.000 3.545 3.493 3.578 . 0 0 "[ . 1 .]" 1
543 1 37 ARG HA 1 38 THR H 0.000 . 5.000 3.489 3.409 3.548 . 0 0 "[ . 1 .]" 1
544 1 38 THR HA 1 39 MET H 0.000 . 5.000 3.450 3.342 3.546 . 0 0 "[ . 1 .]" 1
545 1 39 MET HA 1 40 GLY H 0.000 . 5.000 3.355 2.916 3.564 . 0 0 "[ . 1 .]" 1
546 1 40 GLY QA 1 41 TYR H 0.000 . 3.900 2.741 2.255 2.918 . 0 0 "[ . 1 .]" 1
547 1 41 TYR HA 1 42 MET H 0.000 . 2.900 2.711 2.115 3.466 0.566 5 1 "[ + 1 .]" 1
548 1 44 THR HA 1 45 GLU H 0.000 . 2.900 2.912 2.621 3.299 0.399 5 0 "[ . 1 .]" 1
549 1 45 GLU HA 1 46 MET H 0.000 . 5.000 3.126 2.907 3.374 . 0 0 "[ . 1 .]" 1
550 1 46 MET HA 1 47 GLU H 0.000 . 3.500 3.392 3.336 3.499 . 0 0 "[ . 1 .]" 1
551 1 46 MET HA 1 48 LEU H 0.000 . 5.000 4.385 4.027 4.667 . 0 0 "[ . 1 .]" 1
552 1 48 LEU HA 1 49 ILE H 0.000 . 5.000 3.461 3.354 3.524 . 0 0 "[ . 1 .]" 1
553 1 49 ILE HA 1 50 GLU H 0.000 . 5.000 3.563 3.548 3.580 . 0 0 "[ . 1 .]" 1
554 1 50 GLU HA 1 51 LEU H 0.000 . 5.000 3.513 3.489 3.541 . 0 0 "[ . 1 .]" 1
555 1 51 LEU HA 1 52 SER H 0.000 . 5.000 3.557 3.540 3.570 . 0 0 "[ . 1 .]" 1
556 1 53 GLN HA 1 54 GLN H 0.000 . 5.000 3.511 3.465 3.566 . 0 0 "[ . 1 .]" 1
557 1 56 ASN HA 1 57 MET H 0.000 . 5.000 3.426 3.341 3.556 . 0 0 "[ . 1 .]" 1
558 1 57 MET HA 1 58 ASN H 0.000 . 5.000 3.308 2.964 3.530 . 0 0 "[ . 1 .]" 1
559 1 58 ASN HA 1 59 LEU H 0.000 . 3.500 3.549 3.515 3.574 0.074 11 0 "[ . 1 .]" 1
560 1 59 LEU HA 1 60 GLY H 0.000 . 3.500 3.532 3.499 3.565 0.065 5 0 "[ . 1 .]" 1
561 1 60 GLY QA 1 61 GLY H 0.000 . 5.000 2.604 2.292 2.931 . 0 0 "[ . 1 .]" 1
562 1 8 GLU HA 1 11 GLU H 0.000 . 3.500 3.510 3.276 3.626 0.126 15 0 "[ . 1 .]" 1
563 1 7 GLU HA 1 10 GLU H 0.000 . 3.500 3.478 3.208 3.591 0.091 14 0 "[ . 1 .]" 1
564 1 6 PRO HA 1 9 ILE H 0.000 . 3.500 3.481 3.344 3.730 0.230 15 0 "[ . 1 .]" 1
565 1 9 ILE HA 1 12 LEU H 0.000 . 3.500 3.508 3.261 3.623 0.123 5 0 "[ . 1 .]" 1
566 1 10 GLU HA 1 13 ARG H 0.000 . 3.500 3.572 3.453 3.625 0.125 6 0 "[ . 1 .]" 1
567 1 11 GLU HA 1 14 GLU H 0.000 . 3.500 3.574 3.523 3.638 0.138 6 0 "[ . 1 .]" 1
568 1 12 LEU HA 1 15 ALA H 0.000 . 5.000 3.375 3.145 3.816 . 0 0 "[ . 1 .]" 1
569 1 13 ARG HA 1 16 PHE H 0.000 . 3.500 3.604 3.496 3.679 0.179 4 0 "[ . 1 .]" 1
570 1 14 GLU HA 1 17 ARG H 0.000 . 3.500 3.580 3.522 3.651 0.151 3 0 "[ . 1 .]" 1
571 1 15 ALA HA 1 18 GLU H 0.000 . 3.500 3.490 3.323 3.578 0.078 11 0 "[ . 1 .]" 1
572 1 16 PHE HA 1 19 PHE H 0.000 . 5.000 4.067 3.925 4.210 . 0 0 "[ . 1 .]" 1
573 1 17 ARG HA 1 20 ASP H 0.000 . 2.900 2.635 2.490 2.776 . 0 0 "[ . 1 .]" 1
574 1 29 CYS HA 1 32 LEU H 0.000 . 3.500 3.512 3.222 3.616 0.116 5 0 "[ . 1 .]" 1
575 1 30 ARG HA 1 33 GLY H 0.000 . 5.000 3.853 3.548 4.187 . 0 0 "[ . 1 .]" 1
576 1 31 ASP HA 1 34 ASN H 0.000 . 3.500 3.505 3.397 3.611 0.111 7 0 "[ . 1 .]" 1
577 1 32 LEU HA 1 35 CYS H 0.000 . 3.500 2.765 2.565 2.970 . 0 0 "[ . 1 .]" 1
578 1 33 GLY QA 1 36 MET H 0.000 . 6.000 3.576 3.280 3.721 . 0 0 "[ . 1 .]" 1
579 1 34 ASN HA 1 37 ARG H 0.000 . 3.500 3.536 3.479 3.647 0.147 1 0 "[ . 1 .]" 1
580 1 35 CYS HA 1 38 THR H 0.000 . 3.500 3.339 3.079 3.587 0.087 13 0 "[ . 1 .]" 1
581 1 36 MET HA 1 39 MET H 0.000 . 3.500 3.401 2.991 3.615 0.115 12 0 "[ . 1 .]" 1
582 1 37 ARG HA 1 40 GLY H 0.000 . 3.500 3.446 3.097 3.596 0.096 1 0 "[ . 1 .]" 1
583 1 46 MET HA 1 49 ILE H 0.000 . 3.500 3.480 3.345 3.596 0.096 1 0 "[ . 1 .]" 1
584 1 47 GLU HA 1 50 GLU H 0.000 . 3.500 3.061 2.863 3.329 . 0 0 "[ . 1 .]" 1
585 1 49 ILE HA 1 52 SER H 0.000 . 3.500 3.309 3.089 3.490 . 0 0 "[ . 1 .]" 1
586 1 50 GLU HA 1 53 GLN H 0.000 . 3.500 3.556 3.484 3.648 0.148 2 0 "[ . 1 .]" 1
587 1 51 LEU HA 1 54 GLN H 0.000 . 3.500 3.295 3.089 3.543 0.043 5 0 "[ . 1 .]" 1
588 1 52 SER HA 1 55 ILE H 0.000 . 3.300 3.392 3.338 3.428 0.128 13 0 "[ . 1 .]" 1
589 1 53 GLN HA 1 56 ASN H 0.000 . 5.000 3.491 3.382 3.577 . 0 0 "[ . 1 .]" 1
590 1 7 GLU HA 1 11 GLU H 0.000 . 5.000 4.177 3.762 4.624 . 0 0 "[ . 1 .]" 1
591 1 8 GLU HA 1 12 LEU H 0.000 . 5.000 4.271 3.741 4.605 . 0 0 "[ . 1 .]" 1
592 1 9 ILE HA 1 13 ARG H 0.000 . 5.000 4.023 3.701 4.293 . 0 0 "[ . 1 .]" 1
593 1 10 GLU HA 1 14 GLU H 0.000 . 5.000 4.268 3.925 4.485 . 0 0 "[ . 1 .]" 1
594 1 11 GLU HA 1 15 ALA H 0.000 . 5.000 4.331 3.932 4.635 . 0 0 "[ . 1 .]" 1
595 1 12 LEU HA 1 16 PHE H 0.000 . 5.000 3.916 3.515 4.581 . 0 0 "[ . 1 .]" 1
596 1 13 ARG HA 1 17 ARG H 0.000 . 5.000 4.108 3.916 4.408 . 0 0 "[ . 1 .]" 1
597 1 14 GLU HA 1 18 GLU H 0.000 . 5.000 3.484 3.320 3.827 . 0 0 "[ . 1 .]" 1
598 1 15 ALA HA 1 19 PHE H 0.000 . 5.000 4.118 3.799 4.332 . 0 0 "[ . 1 .]" 1
599 1 29 CYS HA 1 33 GLY H 0.000 . 5.000 4.260 3.309 4.729 . 0 0 "[ . 1 .]" 1
600 1 30 ARG HA 1 34 ASN H 0.000 . 5.000 5.090 5.037 5.189 0.189 7 0 "[ . 1 .]" 1
601 1 33 GLY QA 1 35 CYS H 0.000 . 6.000 4.019 3.809 4.275 . 0 0 "[ . 1 .]" 1
602 1 32 LEU HA 1 36 MET H 0.000 . 5.000 3.283 2.985 3.774 . 0 0 "[ . 1 .]" 1
603 1 33 GLY QA 1 37 ARG H 0.000 . 6.000 3.961 3.799 4.128 . 0 0 "[ . 1 .]" 1
604 1 34 ASN HA 1 38 THR H 0.000 . 5.000 4.254 4.031 4.541 . 0 0 "[ . 1 .]" 1
605 1 35 CYS HA 1 39 MET H 0.000 . 5.000 4.279 3.921 4.515 . 0 0 "[ . 1 .]" 1
606 1 37 ARG HA 1 41 TYR H 0.000 . 5.000 3.401 2.211 4.652 . 0 0 "[ . 1 .]" 1
607 1 46 MET HA 1 50 GLU H 0.000 . 5.000 4.894 4.671 5.029 0.029 12 0 "[ . 1 .]" 1
608 1 47 GLU HA 1 51 LEU H 0.000 . 5.000 4.682 4.546 4.801 . 0 0 "[ . 1 .]" 1
609 1 48 LEU HA 1 52 SER H 0.000 . 5.000 4.224 3.869 4.728 . 0 0 "[ . 1 .]" 1
610 1 49 ILE HA 1 53 GLN H 0.000 . 5.000 3.887 3.471 4.533 . 0 0 "[ . 1 .]" 1
611 1 50 GLU HA 1 54 GLN H 0.000 . 5.000 4.106 3.875 4.350 . 0 0 "[ . 1 .]" 1
612 1 51 LEU HA 1 55 ILE H 0.000 . 5.000 4.663 4.543 4.801 . 0 0 "[ . 1 .]" 1
613 1 65 PHE H 1 66 ASP H 0.000 . 2.900 2.830 2.794 2.910 0.010 10 0 "[ . 1 .]" 1
614 1 66 ASP H 1 67 ASP H 0.000 . 2.900 2.518 2.404 2.642 . 0 0 "[ . 1 .]" 1
615 1 67 ASP H 1 68 PHE H 0.000 . 2.900 2.389 2.263 2.543 . 0 0 "[ . 1 .]" 1
616 1 68 PHE H 1 69 VAL H 0.000 . 2.900 2.643 2.410 2.824 . 0 0 "[ . 1 .]" 1
617 1 69 VAL H 1 70 GLU H 0.000 . 2.900 2.490 2.373 2.618 . 0 0 "[ . 1 .]" 1
618 1 70 GLU H 1 71 LEU H 0.000 . 2.900 2.555 2.463 2.703 . 0 0 "[ . 1 .]" 1
619 1 71 LEU H 1 72 MET H 0.000 . 2.900 2.502 2.174 2.743 . 0 0 "[ . 1 .]" 1
620 1 72 MET H 1 73 GLY H 0.000 . 2.900 2.278 2.042 2.447 . 0 0 "[ . 1 .]" 1
621 1 65 PHE HA 1 66 ASP H 0.000 . 5.000 3.388 3.347 3.438 . 0 0 "[ . 1 .]" 1
622 1 66 ASP HA 1 67 ASP H 0.000 . 5.000 3.592 3.566 3.607 . 0 0 "[ . 1 .]" 1
623 1 67 ASP HA 1 68 PHE H 0.000 . 5.000 3.443 3.367 3.516 . 0 0 "[ . 1 .]" 1
624 1 68 PHE HA 1 69 VAL H 0.000 . 5.000 3.542 3.526 3.557 . 0 0 "[ . 1 .]" 1
625 1 69 VAL HA 1 70 GLU H 0.000 . 5.000 3.508 3.477 3.554 . 0 0 "[ . 1 .]" 1
626 1 70 GLU HA 1 71 LEU H 0.000 . 5.000 3.513 3.422 3.579 . 0 0 "[ . 1 .]" 1
627 1 71 LEU HA 1 72 MET H 0.000 . 5.000 3.490 3.402 3.540 . 0 0 "[ . 1 .]" 1
628 1 72 MET HA 1 73 GLY H 0.000 . 5.000 3.366 3.307 3.512 . 0 0 "[ . 1 .]" 1
629 1 65 PHE H 1 67 ASP H 0.000 . 5.000 4.710 4.539 4.873 . 0 0 "[ . 1 .]" 1
630 1 66 ASP H 1 68 PHE H 0.000 . 5.000 3.534 3.366 3.773 . 0 0 "[ . 1 .]" 1
631 1 67 ASP H 1 69 VAL H 0.000 . 5.000 4.167 4.045 4.402 . 0 0 "[ . 1 .]" 1
632 1 68 PHE H 1 70 GLU H 0.000 . 5.000 3.798 3.559 4.239 . 0 0 "[ . 1 .]" 1
633 1 69 VAL H 1 71 LEU H 0.000 . 5.000 4.000 3.785 4.313 . 0 0 "[ . 1 .]" 1
634 1 70 GLU H 1 72 MET H 0.000 . 5.000 4.003 3.726 4.302 . 0 0 "[ . 1 .]" 1
635 1 71 LEU H 1 73 GLY H 0.000 . 5.000 3.723 3.506 4.065 . 0 0 "[ . 1 .]" 1
636 1 65 PHE HA 1 68 PHE H 0.000 . 3.500 3.541 3.461 3.608 0.108 13 0 "[ . 1 .]" 1
637 1 66 ASP HA 1 69 VAL H 0.000 . 3.500 3.511 3.383 3.611 0.111 5 0 "[ . 1 .]" 1
638 1 67 ASP HA 1 70 GLU H 0.000 . 3.500 3.220 2.930 3.443 . 0 0 "[ . 1 .]" 1
639 1 68 PHE HA 1 71 LEU H 0.000 . 3.500 3.542 3.388 3.643 0.143 4 0 "[ . 1 .]" 1
640 1 69 VAL HA 1 72 MET H 0.000 . 3.500 3.496 3.229 3.604 0.104 3 0 "[ . 1 .]" 1
641 1 70 GLU HA 1 73 GLY H 0.000 . 3.500 3.191 2.864 3.529 0.029 4 0 "[ . 1 .]" 1
642 1 65 PHE HA 1 69 VAL H 0.000 . 5.000 3.802 3.703 3.956 . 0 0 "[ . 1 .]" 1
643 1 66 ASP HA 1 70 GLU H 0.000 . 5.000 4.090 3.847 4.281 . 0 0 "[ . 1 .]" 1
644 1 67 ASP HA 1 71 LEU H 0.000 . 5.000 3.813 3.471 4.143 . 0 0 "[ . 1 .]" 1
645 1 68 PHE HA 1 72 MET H 0.000 . 5.000 4.452 4.171 4.722 . 0 0 "[ . 1 .]" 1
646 1 69 VAL HA 1 73 GLY H 0.000 . 5.000 4.370 3.736 4.739 . 0 0 "[ . 1 .]" 1
647 1 27 ILE H 1 28 ASN H 0.000 . 5.000 4.553 4.488 4.595 . 0 0 "[ . 1 .]" 1
648 1 62 HIS H 1 63 VAL H 0.000 . 5.000 4.139 3.810 4.434 . 0 0 "[ . 1 .]" 1
649 1 63 VAL H 1 64 ASP H 0.000 . 5.000 4.403 4.256 4.511 . 0 0 "[ . 1 .]" 1
650 1 62 HIS HA 1 63 VAL H 0.000 . 2.900 2.161 2.104 2.353 . 0 0 "[ . 1 .]" 1
651 1 63 VAL HA 1 64 ASP H 0.000 . 2.900 2.114 2.049 2.203 . 0 0 "[ . 1 .]" 1
652 1 38 THR HA 1 41 TYR H 0.000 . 5.000 4.745 3.827 5.169 0.169 12 0 "[ . 1 .]" 1
653 1 32 LEU QB 1 35 CYS QB 0.000 . 7.000 3.931 3.530 4.342 . 0 0 "[ . 1 .]" 1
654 1 32 LEU HG 1 35 CYS QB 0.000 . 6.000 4.022 2.861 5.329 . 0 0 "[ . 1 .]" 1
655 1 32 LEU QD 1 35 CYS QB 0.000 . 5.300 3.027 2.083 3.590 . 0 0 "[ . 1 .]" 1
656 1 65 PHE QD 1 69 VAL MG1 0.000 . 8.500 5.133 4.804 5.353 . 0 0 "[ . 1 .]" 1
657 1 65 PHE QE 1 69 VAL MG1 0.000 . 6.800 4.586 4.147 4.813 . 0 0 "[ . 1 .]" 1
658 1 65 PHE HZ 1 69 VAL MG1 0.000 . 6.500 5.189 4.573 5.416 . 0 0 "[ . 1 .]" 1
659 1 13 ARG HA 1 16 PHE QD 0.000 . 7.000 4.734 4.358 5.093 . 0 0 "[ . 1 .]" 1
660 1 15 ALA MB 1 19 PHE QD 0.000 . 6.800 3.492 2.698 4.694 . 0 0 "[ . 1 .]" 1
661 1 15 ALA MB 1 19 PHE QE 0.000 . 6.800 3.894 3.059 5.056 . 0 0 "[ . 1 .]" 1
662 1 29 CYS HA 1 32 LEU MD1 0.000 . 4.800 3.443 2.457 4.354 . 0 0 "[ . 1 .]" 1
663 1 29 CYS HA 1 32 LEU MD2 0.000 . 4.800 3.289 2.428 3.978 . 0 0 "[ . 1 .]" 1
664 1 29 CYS QB 1 32 LEU QB 0.000 . 7.000 3.979 3.429 4.580 . 0 0 "[ . 1 .]" 1
665 1 35 CYS HA 1 38 THR MG 0.000 . 4.400 3.584 3.481 3.716 . 0 0 "[ . 1 .]" 1
666 1 32 LEU HA 1 35 CYS HA 0.000 . 5.000 4.691 4.467 5.047 0.047 8 0 "[ . 1 .]" 1
667 1 32 LEU MD1 1 35 CYS QB 0.000 . 5.800 3.225 2.132 4.017 . 0 0 "[ . 1 .]" 1
668 1 32 LEU HG 1 36 MET QG 0.000 . 4.300 3.867 3.557 4.022 . 0 0 "[ . 1 .]" 1
669 1 32 LEU MD2 1 36 MET QG 0.000 . 5.800 3.654 3.141 4.241 . 0 0 "[ . 1 .]" 1
670 1 35 CYS QB 1 38 THR MG 0.000 . 7.500 4.875 4.517 5.151 . 0 0 "[ . 1 .]" 1
671 1 44 THR MG 1 47 GLU HA 0.000 . 6.500 4.389 3.873 5.335 . 0 0 "[ . 1 .]" 1
672 1 44 THR MG 1 46 MET QG 0.000 . 7.500 4.006 2.172 4.912 . 0 0 "[ . 1 .]" 1
673 1 44 THR MG 1 48 LEU QD 0.000 . 7.200 4.086 3.693 4.445 . 0 0 "[ . 1 .]" 1
674 1 46 MET HA 1 49 ILE MD 0.000 . 4.400 3.446 3.060 4.068 . 0 0 "[ . 1 .]" 1
675 1 46 MET HA 1 49 ILE MG 0.000 . 4.800 3.704 3.352 3.945 . 0 0 "[ . 1 .]" 1
676 1 47 GLU HA 1 49 ILE MG 0.000 . 5.000 3.988 3.931 4.214 . 0 0 "[ . 1 .]" 1
677 1 49 ILE MG 1 53 GLN QG 0.000 . 5.800 3.553 2.092 4.190 . 0 0 "[ . 1 .]" 1
678 1 49 ILE MG 1 53 GLN QB 0.000 . 5.800 2.747 2.324 3.680 . 0 0 "[ . 1 .]" 1
679 1 46 MET HA 1 49 ILE QG 0.000 . 6.500 3.884 2.372 4.472 . 0 0 "[ . 1 .]" 1
680 1 52 SER HA 1 55 ILE MD 0.000 . 4.800 2.315 1.988 2.727 . 0 0 "[ . 1 .]" 1
681 1 51 LEU HA 1 52 SER QB 0.000 . 6.000 5.401 5.315 5.539 . 0 0 "[ . 1 .]" 1
682 1 52 SER QB 1 53 GLN HA 0.000 . 6.000 4.568 4.341 4.728 . 0 0 "[ . 1 .]" 1
683 1 52 SER QB 1 55 ILE MD 0.000 . 4.800 3.086 2.720 3.350 . 0 0 "[ . 1 .]" 1
684 1 63 VAL MG1 1 67 ASP QB 0.000 . 5.800 3.621 3.380 3.756 . 0 0 "[ . 1 .]" 1
685 1 63 VAL MG1 1 67 ASP HA 0.000 . 7.500 6.026 5.711 6.269 . 0 0 "[ . 1 .]" 1
686 1 66 ASP HA 1 69 VAL MG1 0.000 . 4.800 3.988 3.924 4.027 . 0 0 "[ . 1 .]" 1
687 1 66 ASP HA 1 69 VAL MG2 0.000 . 4.800 3.875 3.560 3.984 . 0 0 "[ . 1 .]" 1
688 1 63 VAL HA 1 67 ASP QB 0.000 . 4.300 2.468 2.166 2.825 . 0 0 "[ . 1 .]" 1
689 1 5 ARG H 1 8 GLU H 0.000 . 6.000 5.189 4.305 6.005 0.005 11 0 "[ . 1 .]" 1
690 1 8 GLU H 1 11 GLU H 0.000 . 5.000 4.818 4.527 5.048 0.048 2 0 "[ . 1 .]" 1
691 1 9 ILE MG 1 12 LEU H 0.000 . 6.500 4.655 4.279 4.884 . 0 0 "[ . 1 .]" 1
692 1 14 GLU QB 1 17 ARG H 0.000 . 6.000 4.815 4.738 4.909 . 0 0 "[ . 1 .]" 1
693 1 17 ARG QB 1 20 ASP H 0.000 . 4.500 4.248 4.132 4.353 . 0 0 "[ . 1 .]" 1
694 1 20 ASP H 1 27 ILE MG 0.000 . 5.000 4.110 3.815 4.278 . 0 0 "[ . 1 .]" 1
695 1 21 LYS H 1 27 ILE MG 0.000 . 6.500 4.991 4.403 5.533 . 0 0 "[ . 1 .]" 1
696 1 22 ASP H 1 27 ILE MG 0.000 . 7.500 5.250 4.207 6.148 . 0 0 "[ . 1 .]" 1
697 1 24 ASP H 1 25 GLY QA 0.000 . 6.000 3.793 3.553 4.462 . 0 0 "[ . 1 .]" 1
698 1 23 LYS QG 1 24 ASP H 0.000 . 6.000 4.077 2.681 4.787 . 0 0 "[ . 1 .]" 1
699 1 23 LYS HA 1 25 GLY H 0.000 . 5.000 3.896 3.118 5.181 0.181 7 0 "[ . 1 .]" 1
700 1 28 ASN H 1 32 LEU H 0.000 . 6.000 4.438 3.404 4.682 . 0 0 "[ . 1 .]" 1
701 1 29 CYS QB 1 32 LEU H 0.000 . 6.000 5.082 4.830 5.262 . 0 0 "[ . 1 .]" 1
702 1 32 LEU MD2 1 35 CYS H 0.000 . 6.500 5.054 4.248 5.682 . 0 0 "[ . 1 .]" 1
703 1 32 LEU QB 1 35 CYS H 0.000 . 6.500 4.276 4.170 4.550 . 0 0 "[ . 1 .]" 1
704 1 32 LEU HG 1 35 CYS H 0.000 . 6.000 5.433 4.584 6.333 0.333 1 0 "[ . 1 .]" 1
705 1 32 LEU HG 1 36 MET H 0.000 . 6.000 5.287 4.370 6.049 0.049 1 0 "[ . 1 .]" 1
706 1 32 LEU MD1 1 36 MET H 0.000 . 7.500 4.513 2.814 5.621 . 0 0 "[ . 1 .]" 1
707 1 32 LEU MD2 1 36 MET H 0.000 . 7.500 4.986 4.721 5.412 . 0 0 "[ . 1 .]" 1
708 1 35 CYS QB 1 38 THR H 0.000 . 6.000 4.816 4.513 5.054 . 0 0 "[ . 1 .]" 1
709 1 39 MET QB 1 41 TYR H 0.000 . 6.000 4.797 3.523 5.441 . 0 0 "[ . 1 .]" 1
710 1 44 THR H 1 48 LEU H 0.000 . 5.000 3.867 3.131 4.920 . 0 0 "[ . 1 .]" 1
711 1 44 THR H 1 47 GLU HA 0.000 . 6.000 6.016 5.627 6.228 0.228 6 0 "[ . 1 .]" 1
712 1 43 PRO QB 1 44 THR H 0.000 . 4.500 2.036 1.594 2.901 . 0 0 "[ . 1 .]" 1
713 1 44 THR H 1 48 LEU QD 0.000 . 7.400 3.468 2.987 3.978 . 0 0 "[ . 1 .]" 1
714 1 44 THR HB 1 45 GLU H 0.000 . 2.900 2.113 1.652 3.129 0.229 5 0 "[ . 1 .]" 1
715 1 44 THR MG 1 45 GLU H 0.000 . 4.400 3.215 1.547 3.821 . 0 0 "[ . 1 .]" 1
716 1 44 THR HA 1 46 MET H 0.000 . 5.000 4.450 4.191 4.702 . 0 0 "[ . 1 .]" 1
717 1 44 THR HB 1 46 MET H 0.000 . 3.500 3.034 2.310 3.375 . 0 0 "[ . 1 .]" 1
718 1 44 THR MG 1 46 MET H 0.000 . 6.500 3.501 1.892 4.171 . 0 0 "[ . 1 .]" 1
719 1 46 MET H 1 48 LEU MD2 0.000 . 6.500 3.680 2.626 5.437 . 0 0 "[ . 1 .]" 1
720 1 44 THR HB 1 47 GLU H 0.000 . 3.500 3.052 1.785 3.564 0.064 13 0 "[ . 1 .]" 1
721 1 44 THR MG 1 47 GLU H 0.000 . 6.500 3.160 2.096 3.737 . 0 0 "[ . 1 .]" 1
722 1 47 GLU H 1 48 LEU MD2 0.000 . 6.500 3.785 2.600 5.357 . 0 0 "[ . 1 .]" 1
723 1 46 MET QB 1 48 LEU H 0.000 . 6.000 5.298 4.570 5.463 . 0 0 "[ . 1 .]" 1
724 1 46 MET QG 1 48 LEU H 0.000 . 6.000 4.943 4.519 5.477 . 0 0 "[ . 1 .]" 1
725 1 49 ILE MD 1 52 SER H 0.000 . 5.900 4.774 4.636 4.847 . 0 0 "[ . 1 .]" 1
726 1 55 ILE MG 1 58 ASN H 0.000 . 6.500 3.742 3.211 4.460 . 0 0 "[ . 1 .]" 1
727 1 58 ASN QB 1 60 GLY H 0.000 . 6.000 4.552 4.078 5.134 . 0 0 "[ . 1 .]" 1
728 1 59 LEU QB 1 61 GLY H 0.000 . 6.000 3.571 2.662 4.286 . 0 0 "[ . 1 .]" 1
729 1 73 GLY H 1 75 LYS H 0.000 . 5.000 4.455 4.134 5.076 0.076 2 0 "[ . 1 .]" 1
730 1 70 GLU H 1 73 GLY H 0.000 . 5.000 4.604 4.357 4.876 . 0 0 "[ . 1 .]" 1
731 1 59 LEU QB 1 62 HIS H 0.000 . 6.000 3.121 2.506 4.052 . 0 0 "[ . 1 .]" 1
732 1 59 LEU QD 1 62 HIS H 0.000 . 5.900 3.751 2.784 4.154 . 0 0 "[ . 1 .]" 1
733 1 64 ASP H 1 67 ASP H 0.000 . 3.500 2.728 2.571 2.859 . 0 0 "[ . 1 .]" 1
734 1 64 ASP H 1 67 ASP HA 0.000 . 5.000 4.802 4.506 5.021 0.021 13 0 "[ . 1 .]" 1
735 1 64 ASP H 1 67 ASP QB 0.000 . 3.900 2.203 1.864 2.465 . 0 0 "[ . 1 .]" 1
736 1 64 ASP QB 1 66 ASP H 0.000 . 6.000 2.438 2.074 3.163 . 0 0 "[ . 1 .]" 1
737 1 63 VAL HA 1 67 ASP H 0.000 . 5.000 4.361 4.151 4.609 . 0 0 "[ . 1 .]" 1
738 1 63 VAL MG1 1 67 ASP H 0.000 . 6.500 5.651 5.609 5.726 . 0 0 "[ . 1 .]" 1
739 1 63 VAL MG2 1 67 ASP H 0.000 . 6.500 3.349 3.190 3.546 . 0 0 "[ . 1 .]" 1
740 1 63 VAL HB 1 67 ASP H 0.000 . 5.000 4.616 4.458 4.843 . 0 0 "[ . 1 .]" 1
741 1 63 VAL MG2 1 68 PHE H 0.000 . 5.000 2.166 1.831 2.481 . 0 0 "[ . 1 .]" 1
742 1 63 VAL MG1 1 68 PHE H 0.000 . 6.500 4.790 4.485 5.130 . 0 0 "[ . 1 .]" 1
743 1 65 PHE QE 1 69 VAL H 0.000 . 5.500 5.126 4.917 5.247 . 0 0 "[ . 1 .]" 1
744 1 65 PHE QD 1 69 VAL H 0.000 . 7.000 4.674 4.460 4.812 . 0 0 "[ . 1 .]" 1
745 1 73 GLY H 1 76 LEU QD 0.000 . 5.300 3.819 3.282 4.082 . 0 0 "[ . 1 .]" 1
746 1 69 VAL MG2 1 73 GLY H 0.000 . 7.500 5.629 5.120 5.915 . 0 0 "[ . 1 .]" 1
747 1 69 VAL MG1 1 73 GLY H 0.000 . 7.500 4.159 3.868 4.322 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 59
_Distance_constraint_stats_list.Viol_count 248
_Distance_constraint_stats_list.Viol_total 774.271
_Distance_constraint_stats_list.Viol_max 2.327
_Distance_constraint_stats_list.Viol_rms 0.2805
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0583
_Distance_constraint_stats_list.Viol_average_violations_only 0.2081
_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 7 GLU 0.091 0.046 13 0 "[ . 1 .]"
1 8 GLU 0.183 0.106 15 0 "[ . 1 .]"
1 9 ILE 0.024 0.015 15 0 "[ . 1 .]"
1 10 GLU 0.095 0.051 14 0 "[ . 1 .]"
1 11 GLU 0.263 0.103 9 0 "[ . 1 .]"
1 12 LEU 0.307 0.106 15 0 "[ . 1 .]"
1 13 ARG 0.086 0.049 4 0 "[ . 1 .]"
1 14 GLU 0.095 0.051 14 0 "[ . 1 .]"
1 15 ALA 0.384 0.103 9 0 "[ . 1 .]"
1 16 PHE 0.956 0.102 11 0 "[ . 1 .]"
1 17 ARG 0.062 0.049 4 0 "[ . 1 .]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 19 PHE 0.212 0.054 15 0 "[ . 1 .]"
1 20 ASP 23.154 2.221 6 13 "[*****+ ***-* **]"
1 22 ASP 11.665 2.327 15 7 "[ ***- * 1* +]"
1 24 ASP 5.652 1.886 2 3 "[-+ . * 1 .]"
1 27 ILE 0.952 0.128 13 0 "[ . 1 .]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 33 GLY 1.308 0.120 14 0 "[ . 1 .]"
1 34 ASN 0.770 0.095 6 0 "[ . 1 .]"
1 35 CYS 0.092 0.033 7 0 "[ . 1 .]"
1 36 MET 0.162 0.078 2 0 "[ . 1 .]"
1 37 ARG 1.308 0.120 14 0 "[ . 1 .]"
1 38 THR 0.770 0.095 6 0 "[ . 1 .]"
1 39 MET 0.092 0.033 7 0 "[ . 1 .]"
1 40 GLY 0.162 0.078 2 0 "[ . 1 .]"
1 47 GLU 1.626 0.159 9 0 "[ . 1 .]"
1 48 LEU 0.099 0.070 8 0 "[ . 1 .]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 50 GLU 0.024 0.024 5 0 "[ . 1 .]"
1 51 LEU 4.186 0.188 3 0 "[ . 1 .]"
1 52 SER 0.099 0.070 8 0 "[ . 1 .]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 54 GLN 0.024 0.024 5 0 "[ . 1 .]"
1 55 ILE 2.560 0.188 3 0 "[ . 1 .]"
1 63 VAL 0.952 0.128 13 0 "[ . 1 .]"
1 65 PHE 0.304 0.059 3 0 "[ . 1 .]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 67 ASP 0.048 0.048 2 0 "[ . 1 .]"
1 68 PHE 1.522 0.157 10 0 "[ . 1 .]"
1 69 VAL 1.020 0.130 14 0 "[ . 1 .]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 71 LEU 0.048 0.048 2 0 "[ . 1 .]"
1 72 MET 1.522 0.157 10 0 "[ . 1 .]"
1 73 GLY 0.717 0.130 14 0 "[ . 1 .]"
2 1 MG 39.639 2.327 15 14 "[****-******* *+]"
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 20 ASP OD2 2 1 MG MG 2.500 . 2.800 4.288 2.804 5.021 2.221 6 13 "[*****+ ***-* **]" 2
2 1 22 ASP OD2 2 1 MG MG 2.500 . 2.800 3.511 2.326 5.127 2.327 15 7 "[ ***- * 1* +]" 2
3 1 24 ASP OD1 2 1 MG MG 2.500 . 2.800 3.117 2.255 4.686 1.886 2 3 "[-+ . * 1 .]" 2
4 1 7 GLU O 1 11 GLU N 0.000 . 3.300 3.087 2.689 3.283 . 0 0 "[ . 1 .]" 2
5 1 7 GLU O 1 11 GLU H 0.000 . 2.300 2.146 1.712 2.346 0.046 13 0 "[ . 1 .]" 2
6 1 8 GLU O 1 12 LEU N 0.000 . 3.300 3.072 2.687 3.354 0.054 15 0 "[ . 1 .]" 2
7 1 8 GLU O 1 12 LEU H 0.000 . 2.300 2.141 1.741 2.406 0.106 15 0 "[ . 1 .]" 2
8 1 9 ILE O 1 13 ARG N 0.000 . 3.300 3.079 2.694 3.292 . 0 0 "[ . 1 .]" 2
9 1 9 ILE O 1 13 ARG H 0.000 . 2.300 2.110 1.758 2.315 0.015 15 0 "[ . 1 .]" 2
10 1 10 GLU O 1 14 GLU N 0.000 . 3.300 3.133 2.821 3.313 0.013 14 0 "[ . 1 .]" 2
11 1 10 GLU O 1 14 GLU H 0.000 . 2.300 2.181 1.855 2.351 0.051 14 0 "[ . 1 .]" 2
12 1 11 GLU O 1 15 ALA N 0.000 . 3.300 3.089 2.658 3.301 0.001 9 0 "[ . 1 .]" 2
13 1 11 GLU O 1 15 ALA H 0.000 . 2.300 2.183 1.780 2.403 0.103 9 0 "[ . 1 .]" 2
14 1 12 LEU O 1 16 PHE N 0.000 . 3.300 2.824 2.519 3.348 0.048 2 0 "[ . 1 .]" 2
15 1 12 LEU O 1 16 PHE H 0.000 . 2.300 1.867 1.542 2.376 0.076 2 0 "[ . 1 .]" 2
16 1 13 ARG O 1 17 ARG N 0.000 . 3.300 2.971 2.763 3.146 . 0 0 "[ . 1 .]" 2
17 1 13 ARG O 1 17 ARG H 0.000 . 2.300 2.134 1.899 2.349 0.049 4 0 "[ . 1 .]" 2
18 1 14 GLU O 1 18 GLU N 0.000 . 3.300 2.536 2.416 2.719 . 0 0 "[ . 1 .]" 2
19 1 14 GLU O 1 18 GLU H 0.000 . 2.300 1.589 1.481 1.752 . 0 0 "[ . 1 .]" 2
20 1 15 ALA O 1 19 PHE N 0.000 . 3.300 3.035 2.863 3.135 . 0 0 "[ . 1 .]" 2
21 1 15 ALA O 1 19 PHE H 0.000 . 2.300 2.252 2.043 2.354 0.054 15 0 "[ . 1 .]" 2
22 1 16 PHE O 1 20 ASP N 0.000 . 3.300 2.948 2.754 3.122 . 0 0 "[ . 1 .]" 2
23 1 16 PHE O 1 20 ASP H 0.000 . 2.300 2.347 2.226 2.402 0.102 11 0 "[ . 1 .]" 2
24 1 31 ASP O 1 35 CYS N 0.000 . 3.300 2.777 2.412 3.096 . 0 0 "[ . 1 .]" 2
25 1 31 ASP O 1 35 CYS H 0.000 . 2.300 1.914 1.568 2.214 . 0 0 "[ . 1 .]" 2
26 1 32 LEU O 1 36 MET N 0.000 . 3.300 2.389 2.321 2.478 . 0 0 "[ . 1 .]" 2
27 1 32 LEU O 1 36 MET H 0.000 . 2.300 1.425 1.343 1.562 . 0 0 "[ . 1 .]" 2
28 1 33 GLY O 1 37 ARG N 0.000 . 3.300 3.279 3.135 3.331 0.031 3 0 "[ . 1 .]" 2
29 1 33 GLY O 1 37 ARG H 0.000 . 2.300 2.378 2.331 2.420 0.120 14 0 "[ . 1 .]" 2
30 1 34 ASN O 1 38 THR N 0.000 . 3.300 3.160 3.022 3.261 . 0 0 "[ . 1 .]" 2
31 1 34 ASN O 1 38 THR H 0.000 . 2.300 2.350 2.290 2.395 0.095 6 0 "[ . 1 .]" 2
32 1 35 CYS O 1 39 MET N 0.000 . 3.300 2.924 2.593 3.164 . 0 0 "[ . 1 .]" 2
33 1 35 CYS O 1 39 MET H 0.000 . 2.300 2.212 1.896 2.333 0.033 7 0 "[ . 1 .]" 2
34 1 36 MET O 1 40 GLY N 0.000 . 3.300 2.662 2.376 3.302 0.002 2 0 "[ . 1 .]" 2
35 1 36 MET O 1 40 GLY H 0.000 . 2.300 1.961 1.567 2.378 0.078 2 0 "[ . 1 .]" 2
36 1 27 ILE O 1 63 VAL N 0.000 . 3.300 3.221 3.039 3.343 0.043 3 0 "[ . 1 .]" 2
37 1 27 ILE O 1 63 VAL H 0.000 . 2.300 2.284 2.143 2.412 0.112 3 0 "[ . 1 .]" 2
38 1 27 ILE N 1 63 VAL O 0.000 . 3.300 3.236 3.070 3.347 0.047 13 0 "[ . 1 .]" 2
39 1 27 ILE H 1 63 VAL O 0.000 . 2.300 2.308 2.143 2.428 0.128 13 0 "[ . 1 .]" 2
40 1 47 GLU O 1 51 LEU N 0.000 . 3.300 3.298 3.194 3.391 0.091 5 0 "[ . 1 .]" 2
41 1 47 GLU O 1 51 LEU H 0.000 . 2.300 2.391 2.317 2.459 0.159 9 0 "[ . 1 .]" 2
42 1 48 LEU O 1 52 SER N 0.000 . 3.300 2.990 2.600 3.329 0.029 8 0 "[ . 1 .]" 2
43 1 48 LEU O 1 52 SER H 0.000 . 2.300 2.026 1.620 2.370 0.070 8 0 "[ . 1 .]" 2
44 1 49 ILE O 1 53 GLN N 0.000 . 3.300 2.513 2.360 2.918 . 0 0 "[ . 1 .]" 2
45 1 49 ILE O 1 53 GLN H 0.000 . 2.300 1.797 1.457 2.231 . 0 0 "[ . 1 .]" 2
46 1 50 GLU O 1 54 GLN N 0.000 . 3.300 2.964 2.773 3.139 . 0 0 "[ . 1 .]" 2
47 1 50 GLU O 1 54 GLN H 0.000 . 2.300 2.135 2.043 2.324 0.024 5 0 "[ . 1 .]" 2
48 1 51 LEU O 1 55 ILE N 0.000 . 3.300 3.339 3.268 3.377 0.077 5 0 "[ . 1 .]" 2
49 1 51 LEU O 1 55 ILE H 0.000 . 2.300 2.429 2.372 2.488 0.188 3 0 "[ . 1 .]" 2
50 1 65 PHE O 1 69 VAL N 0.000 . 3.300 3.196 3.143 3.243 . 0 0 "[ . 1 .]" 2
51 1 65 PHE O 1 69 VAL H 0.000 . 2.300 2.312 2.257 2.359 0.059 3 0 "[ . 1 .]" 2
52 1 66 ASP O 1 70 GLU N 0.000 . 3.300 2.883 2.665 3.043 . 0 0 "[ . 1 .]" 2
53 1 66 ASP O 1 70 GLU H 0.000 . 2.300 2.003 1.799 2.148 . 0 0 "[ . 1 .]" 2
54 1 67 ASP O 1 71 LEU N 0.000 . 3.300 2.692 2.401 3.071 . 0 0 "[ . 1 .]" 2
55 1 67 ASP O 1 71 LEU H 0.000 . 2.300 1.869 1.435 2.348 0.048 2 0 "[ . 1 .]" 2
56 1 68 PHE O 1 72 MET N 0.000 . 3.300 3.235 2.932 3.354 0.054 12 0 "[ . 1 .]" 2
57 1 68 PHE O 1 72 MET H 0.000 . 2.300 2.390 2.312 2.457 0.157 10 0 "[ . 1 .]" 2
58 1 69 VAL O 1 73 GLY N 0.000 . 3.300 2.878 2.439 3.186 . 0 0 "[ . 1 .]" 2
59 1 69 VAL O 1 73 GLY H 0.000 . 2.300 2.289 1.885 2.430 0.130 14 0 "[ . 1 .]" 2
stop_
save_
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