NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634765 |
6c00   |
27349 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6c00
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 593
_Distance_constraint_stats_list.Viol_count 1092
_Distance_constraint_stats_list.Viol_total 1816.295
_Distance_constraint_stats_list.Viol_max 0.577
_Distance_constraint_stats_list.Viol_rms 0.0493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.1109
_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 7 LYS 0.065 0.056 5 0 "[ . 1 .]"
1 8 ASP 1.018 0.304 5 0 "[ . 1 .]"
1 9 VAL 0.953 0.304 5 0 "[ . 1 .]"
1 10 ILE 0.456 0.125 13 0 "[ . 1 .]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 12 LEU 1.273 0.123 2 0 "[ . 1 .]"
1 13 GLU 0.664 0.094 2 0 "[ . 1 .]"
1 14 GLY 0.613 0.094 1 0 "[ . 1 .]"
1 15 THR 3.084 0.275 14 0 "[ . 1 .]"
1 16 VAL 6.560 0.345 7 0 "[ . 1 .]"
1 17 SER 0.697 0.129 11 0 "[ . 1 .]"
1 18 GLU 1.311 0.151 3 0 "[ . 1 .]"
1 19 ALA 0.511 0.105 2 0 "[ . 1 .]"
1 20 LEU 1.841 0.273 1 0 "[ . 1 .]"
1 21 PRO 1.930 0.247 12 0 "[ . 1 .]"
1 22 ASN 2.000 0.247 12 0 "[ . 1 .]"
1 23 ALA 0.194 0.031 10 0 "[ . 1 .]"
1 24 MET 4.825 0.367 7 0 "[ . 1 .]"
1 25 PHE 9.131 0.367 7 0 "[ . 1 .]"
1 26 LYS 2.173 0.151 3 0 "[ . 1 .]"
1 27 VAL 2.523 0.129 11 0 "[ . 1 .]"
1 28 LYS 2.952 0.169 10 0 "[ . 1 .]"
1 29 LEU 5.095 0.299 2 0 "[ . 1 .]"
1 30 GLU 1.237 0.105 2 0 "[ . 1 .]"
1 31 ASN 0.080 0.059 11 0 "[ . 1 .]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 33 HIS 3.761 0.222 5 0 "[ . 1 .]"
1 34 GLU 2.512 0.172 10 0 "[ . 1 .]"
1 35 ILE 9.261 0.505 8 3 "[ -. *+ 1 .]"
1 36 LEU 4.254 0.224 7 0 "[ . 1 .]"
1 37 CYS 4.310 0.198 15 0 "[ . 1 .]"
1 38 HIS 0.042 0.009 5 0 "[ . 1 .]"
1 39 ILE 2.582 0.172 11 0 "[ . 1 .]"
1 40 SER 2.236 0.171 11 0 "[ . 1 .]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 42 LYS 4.267 0.268 10 0 "[ . 1 .]"
1 43 LEU 5.562 0.577 6 1 "[ .+ 1 .]"
1 44 ARG 6.143 0.577 6 1 "[ .+ 1 .]"
1 45 MET 1.053 0.131 6 0 "[ . 1 .]"
1 46 ASN 3.079 0.261 11 0 "[ . 1 .]"
1 47 PHE 0.104 0.073 11 0 "[ . 1 .]"
1 48 ILE 3.315 0.174 9 0 "[ . 1 .]"
1 49 ARG 1.835 0.172 14 0 "[ . 1 .]"
1 50 ILE 0.639 0.056 13 0 "[ . 1 .]"
1 51 LEU 0.301 0.161 7 0 "[ . 1 .]"
1 52 GLU 5.249 0.355 12 0 "[ . 1 .]"
1 53 GLY 0.148 0.040 12 0 "[ . 1 .]"
1 54 ASP 3.191 0.159 1 0 "[ . 1 .]"
1 55 LYS 10.000 0.452 1 0 "[ . 1 .]"
1 56 VAL 13.244 0.452 1 0 "[ . 1 .]"
1 57 ASN 1.348 0.129 11 0 "[ . 1 .]"
1 58 VAL 6.247 0.183 10 0 "[ . 1 .]"
1 59 GLU 0.010 0.010 6 0 "[ . 1 .]"
1 60 LEU 3.218 0.159 14 0 "[ . 1 .]"
1 61 SER 0.000 0.000 . 0 "[ . 1 .]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 63 TYR 4.099 0.330 1 0 "[ . 1 .]"
1 64 ASP 4.566 0.330 1 0 "[ . 1 .]"
1 65 LEU 4.147 0.213 6 0 "[ . 1 .]"
1 66 THR 4.961 0.213 6 0 "[ . 1 .]"
1 67 ARG 2.297 0.224 7 0 "[ . 1 .]"
1 68 GLY 0.734 0.081 10 0 "[ . 1 .]"
1 69 ARG 2.300 0.198 15 0 "[ . 1 .]"
1 70 ILE 9.214 0.356 12 0 "[ . 1 .]"
1 71 THR 1.050 0.248 9 0 "[ . 1 .]"
1 72 TRP 4.174 0.356 12 0 "[ . 1 .]"
1 73 ARG 1.904 0.128 7 0 "[ . 1 .]"
1 74 LYS 0.835 0.173 8 0 "[ . 1 .]"
1 75 LYS 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 7 LYS HA 1 8 ASP H 0.000 . 3.000 2.500 2.142 3.056 0.056 5 0 "[ . 1 .]" 1
2 1 8 ASP H 1 9 VAL H 0.000 . 4.500 3.982 1.895 4.629 0.129 9 0 "[ . 1 .]" 1
3 1 7 LYS QB 1 8 ASP H 0.000 . 5.000 3.109 1.684 4.020 . 0 0 "[ . 1 .]" 1
4 1 8 ASP HA 1 9 VAL H 0.000 . 3.000 2.622 2.142 3.304 0.304 5 0 "[ . 1 .]" 1
5 1 8 ASP QB 1 9 VAL H 0.000 . 6.000 2.914 1.675 3.975 . 0 0 "[ . 1 .]" 1
6 1 9 VAL H 1 9 VAL HB 0.000 . 4.000 3.413 2.409 3.797 . 0 0 "[ . 1 .]" 1
7 1 9 VAL H 1 10 ILE H 0.000 . 5.000 4.523 4.381 4.644 . 0 0 "[ . 1 .]" 1
8 1 10 ILE H 1 10 ILE HB 0.000 . 3.000 2.565 2.403 2.690 . 0 0 "[ . 1 .]" 1
9 1 10 ILE H 1 10 ILE QG 0.000 . 5.000 2.602 2.148 3.803 . 0 0 "[ . 1 .]" 1
10 1 10 ILE H 1 11 GLU H 0.000 . 5.000 4.197 4.020 4.552 . 0 0 "[ . 1 .]" 1
11 1 9 VAL HA 1 10 ILE H 0.000 . 3.000 2.425 2.203 2.553 . 0 0 "[ . 1 .]" 1
12 1 9 VAL HB 1 10 ILE H 0.000 . 5.000 2.975 2.065 4.006 . 0 0 "[ . 1 .]" 1
13 1 10 ILE H 1 60 LEU H 0.000 . 3.500 3.331 2.919 3.625 0.125 13 0 "[ . 1 .]" 1
14 1 10 ILE H 1 60 LEU QB 0.000 . 5.000 3.307 2.522 4.055 . 0 0 "[ . 1 .]" 1
15 1 10 ILE HA 1 11 GLU H 0.000 . 3.000 2.173 2.138 2.236 . 0 0 "[ . 1 .]" 1
16 1 10 ILE HB 1 11 GLU H 0.000 . 5.000 4.361 4.001 4.499 . 0 0 "[ . 1 .]" 1
17 1 12 LEU H 1 57 ASN HA 0.000 . 5.000 4.853 4.662 5.079 0.079 2 0 "[ . 1 .]" 1
18 1 12 LEU H 1 58 VAL H 0.000 . 3.500 3.465 3.197 3.605 0.105 6 0 "[ . 1 .]" 1
19 1 12 LEU H 1 60 LEU H 0.000 . 4.000 4.051 3.981 4.123 0.123 2 0 "[ . 1 .]" 1
20 1 12 LEU H 1 59 GLU HA 0.000 . 4.000 3.217 2.948 3.433 . 0 0 "[ . 1 .]" 1
21 1 12 LEU H 1 58 VAL HB 0.000 . 5.000 3.758 3.420 4.056 . 0 0 "[ . 1 .]" 1
22 1 12 LEU H 1 12 LEU HA 0.000 . 3.000 2.988 2.970 2.999 . 0 0 "[ . 1 .]" 1
23 1 11 GLU HA 1 12 LEU H 0.000 . 4.000 2.137 2.115 2.163 . 0 0 "[ . 1 .]" 1
24 1 11 GLU QB 1 12 LEU H 0.000 . 6.000 3.422 3.249 3.560 . 0 0 "[ . 1 .]" 1
25 1 13 GLU H 1 13 GLU HA 0.000 . 3.000 2.946 2.927 2.968 . 0 0 "[ . 1 .]" 1
26 1 12 LEU HA 1 13 GLU H 0.000 . 3.000 2.284 2.173 2.400 . 0 0 "[ . 1 .]" 1
27 1 12 LEU MD2 1 13 GLU H 0.000 . 5.500 2.548 2.181 3.020 . 0 0 "[ . 1 .]" 1
28 1 12 LEU QB 1 13 GLU H 0.000 . 5.000 2.797 2.445 3.230 . 0 0 "[ . 1 .]" 1
29 1 13 GLU H 1 13 GLU QG 0.000 . 4.000 2.601 2.055 3.838 . 0 0 "[ . 1 .]" 1
30 1 13 GLU HA 1 14 GLY H 0.000 . 2.500 2.216 2.170 2.258 . 0 0 "[ . 1 .]" 1
31 1 14 GLY H 1 56 VAL H 0.000 . 3.000 3.041 3.009 3.094 0.094 1 0 "[ . 1 .]" 1
32 1 14 GLY H 1 56 VAL MG2 0.000 . 6.000 3.163 2.878 3.305 . 0 0 "[ . 1 .]" 1
33 1 13 GLU QB 1 14 GLY H 0.000 . 4.000 3.001 2.877 3.629 . 0 0 "[ . 1 .]" 1
34 1 12 LEU QB 1 14 GLY H 0.000 . 6.000 5.281 5.174 5.355 . 0 0 "[ . 1 .]" 1
35 1 13 GLU QG 1 14 GLY H 0.000 . 5.000 3.933 2.332 4.330 . 0 0 "[ . 1 .]" 1
36 1 14 GLY H 1 57 ASN HA 0.000 . 3.500 3.209 3.077 3.349 . 0 0 "[ . 1 .]" 1
37 1 14 GLY QA 1 15 THR H 0.000 . 4.000 2.252 2.196 2.289 . 0 0 "[ . 1 .]" 1
38 1 15 THR H 1 28 LYS H 0.000 . 3.000 2.918 2.400 3.074 0.074 6 0 "[ . 1 .]" 1
39 1 15 THR H 1 28 LYS QB 0.000 . 5.000 4.071 3.008 4.659 . 0 0 "[ . 1 .]" 1
40 1 15 THR H 1 27 VAL MG1 0.000 . 5.000 2.301 1.738 2.662 . 0 0 "[ . 1 .]" 1
41 1 14 GLY H 1 15 THR H 0.000 . 5.000 4.382 4.219 4.433 . 0 0 "[ . 1 .]" 1
42 1 15 THR H 1 15 THR HA 0.000 . 3.000 2.980 2.951 2.995 . 0 0 "[ . 1 .]" 1
43 1 15 THR H 1 15 THR HB 0.000 . 4.000 2.662 2.450 3.123 . 0 0 "[ . 1 .]" 1
44 1 15 THR H 1 16 VAL H 0.000 . 5.000 4.378 4.232 4.496 . 0 0 "[ . 1 .]" 1
45 1 16 VAL H 1 53 GLY H 0.000 . 4.000 3.938 3.780 4.040 0.040 12 0 "[ . 1 .]" 1
46 1 16 VAL H 1 54 ASP H 0.000 . 5.000 4.015 3.867 4.111 . 0 0 "[ . 1 .]" 1
47 1 15 THR MG 1 16 VAL H 0.000 . 4.500 2.668 2.393 3.106 . 0 0 "[ . 1 .]" 1
48 1 15 THR HA 1 16 VAL H 0.000 . 3.000 2.132 2.105 2.159 . 0 0 "[ . 1 .]" 1
49 1 16 VAL H 1 16 VAL MG2 0.000 . 4.500 1.798 1.664 2.143 . 0 0 "[ . 1 .]" 1
50 1 16 VAL H 1 16 VAL HB 0.000 . 3.000 2.693 2.480 2.893 . 0 0 "[ . 1 .]" 1
51 1 16 VAL H 1 54 ASP QB 0.000 . 5.000 4.342 3.834 4.613 . 0 0 "[ . 1 .]" 1
52 1 16 VAL H 1 27 VAL HA 0.000 . 4.500 4.474 4.287 4.577 0.077 14 0 "[ . 1 .]" 1
53 1 16 VAL H 1 55 LYS HA 0.000 . 3.000 3.232 3.130 3.345 0.345 7 0 "[ . 1 .]" 1
54 1 16 VAL H 1 27 VAL MG2 0.000 . 6.000 3.625 2.750 4.267 . 0 0 "[ . 1 .]" 1
55 1 16 VAL H 1 56 VAL MG2 0.000 . 8.000 3.104 2.793 3.412 . 0 0 "[ . 1 .]" 1
56 1 17 SER H 1 18 GLU H 0.000 . 3.000 2.236 2.016 2.359 . 0 0 "[ . 1 .]" 1
57 1 17 SER H 1 28 LYS H 0.000 . 4.000 3.479 3.213 3.793 . 0 0 "[ . 1 .]" 1
58 1 16 VAL HA 1 17 SER H 0.000 . 2.800 2.117 2.101 2.138 . 0 0 "[ . 1 .]" 1
59 1 16 VAL QG 1 17 SER H 0.000 . 7.500 2.708 2.386 2.969 . 0 0 "[ . 1 .]" 1
60 1 17 SER H 1 27 VAL HA 0.000 . 3.000 2.155 1.970 2.469 . 0 0 "[ . 1 .]" 1
61 1 17 SER H 1 27 VAL HB 0.000 . 5.000 5.035 4.902 5.129 0.129 11 0 "[ . 1 .]" 1
62 1 18 GLU H 1 19 ALA H 0.000 . 5.000 4.383 4.126 4.463 . 0 0 "[ . 1 .]" 1
63 1 18 GLU H 1 26 LYS H 0.000 . 3.600 2.809 2.538 3.015 . 0 0 "[ . 1 .]" 1
64 1 18 GLU H 1 18 GLU HA 0.000 . 3.000 2.962 2.935 2.989 . 0 0 "[ . 1 .]" 1
65 1 18 GLU H 1 25 PHE HA 0.000 . 5.000 4.898 4.476 5.091 0.091 11 0 "[ . 1 .]" 1
66 1 18 GLU H 1 26 LYS HA 0.000 . 4.500 4.571 4.510 4.651 0.151 3 0 "[ . 1 .]" 1
67 1 18 GLU H 1 26 LYS QB 0.000 . 5.000 2.578 2.327 2.873 . 0 0 "[ . 1 .]" 1
68 1 17 SER QB 1 18 GLU H 0.000 . 5.000 2.844 2.556 3.468 . 0 0 "[ . 1 .]" 1
69 1 16 VAL MG1 1 18 GLU H 0.000 . 6.000 2.715 2.476 2.964 . 0 0 "[ . 1 .]" 1
70 1 18 GLU HA 1 19 ALA H 0.000 . 2.800 2.262 2.140 2.321 . 0 0 "[ . 1 .]" 1
71 1 18 GLU QB 1 19 ALA H 0.000 . 5.000 3.326 3.045 3.647 . 0 0 "[ . 1 .]" 1
72 1 18 GLU QG 1 19 ALA H 0.000 . 6.000 2.502 1.971 3.568 . 0 0 "[ . 1 .]" 1
73 1 20 LEU H 1 25 PHE QD 0.000 . 6.500 4.021 2.384 4.893 . 0 0 "[ . 1 .]" 1
74 1 19 ALA HA 1 20 LEU H 0.000 . 2.800 2.142 2.123 2.171 . 0 0 "[ . 1 .]" 1
75 1 19 ALA MB 1 20 LEU H 0.000 . 4.500 3.275 3.067 3.463 . 0 0 "[ . 1 .]" 1
76 1 20 LEU H 1 20 LEU HG 0.000 . 3.000 2.291 1.835 2.887 . 0 0 "[ . 1 .]" 1
77 1 20 LEU H 1 25 PHE HA 0.000 . 3.500 2.091 1.830 2.358 . 0 0 "[ . 1 .]" 1
78 1 22 ASN H 1 23 ALA H 0.000 . 3.000 2.598 2.471 2.880 . 0 0 "[ . 1 .]" 1
79 1 21 PRO HA 1 22 ASN H 0.000 . 2.800 2.480 2.268 2.803 0.003 12 0 "[ . 1 .]" 1
80 1 22 ASN H 1 22 ASN HA 0.000 . 2.800 2.330 2.314 2.350 . 0 0 "[ . 1 .]" 1
81 1 21 PRO QB 1 22 ASN H 0.000 . 4.000 2.471 1.825 2.925 . 0 0 "[ . 1 .]" 1
82 1 23 ALA H 1 23 ALA HA 0.000 . 2.800 2.343 2.330 2.354 . 0 0 "[ . 1 .]" 1
83 1 23 ALA H 1 24 MET H 0.000 . 3.000 2.909 2.678 3.031 0.031 10 0 "[ . 1 .]" 1
84 1 24 MET H 1 24 MET QG 0.000 . 4.000 3.063 2.085 3.808 . 0 0 "[ . 1 .]" 1
85 1 23 ALA HA 1 24 MET H 0.000 . 3.000 2.644 2.541 2.818 . 0 0 "[ . 1 .]" 1
86 1 24 MET H 1 24 MET HA 0.000 . 3.000 2.930 2.877 2.956 . 0 0 "[ . 1 .]" 1
87 1 24 MET H 1 25 PHE H 0.000 . 4.000 4.313 4.205 4.367 0.367 7 0 "[ . 1 .]" 1
88 1 24 MET HA 1 25 PHE H 0.000 . 2.800 2.332 2.182 2.491 . 0 0 "[ . 1 .]" 1
89 1 25 PHE H 1 25 PHE QD 0.000 . 5.500 2.108 1.615 3.378 . 0 0 "[ . 1 .]" 1
90 1 25 PHE H 1 25 PHE HA 0.000 . 2.800 2.925 2.893 2.975 0.175 9 0 "[ . 1 .]" 1
91 1 25 PHE H 1 37 CYS H 0.000 . 3.000 3.113 2.988 3.183 0.183 10 0 "[ . 1 .]" 1
92 1 25 PHE H 1 37 CYS QB 0.000 . 5.000 3.825 3.495 4.500 . 0 0 "[ . 1 .]" 1
93 1 24 MET QB 1 25 PHE H 0.000 . 4.500 2.707 2.150 3.655 . 0 0 "[ . 1 .]" 1
94 1 24 MET ME 1 25 PHE H 0.000 . 6.500 4.520 3.842 5.373 . 0 0 "[ . 1 .]" 1
95 1 25 PHE H 1 39 ILE MD 0.000 . 6.500 5.262 5.174 5.362 . 0 0 "[ . 1 .]" 1
96 1 26 LYS H 1 27 VAL H 0.000 . 4.500 4.434 4.233 4.563 0.063 11 0 "[ . 1 .]" 1
97 1 17 SER H 1 26 LYS H 0.000 . 5.000 4.200 3.913 4.396 . 0 0 "[ . 1 .]" 1
98 1 25 PHE QD 1 26 LYS H 0.000 . 6.000 4.281 4.164 4.485 . 0 0 "[ . 1 .]" 1
99 1 25 PHE HA 1 26 LYS H 0.000 . 2.800 2.361 2.297 2.412 . 0 0 "[ . 1 .]" 1
100 1 19 ALA HA 1 26 LYS H 0.000 . 4.000 3.655 3.180 4.035 0.035 13 0 "[ . 1 .]" 1
101 1 18 GLU QB 1 26 LYS H 0.000 . 4.000 3.048 2.750 3.339 . 0 0 "[ . 1 .]" 1
102 1 25 PHE QB 1 26 LYS H 0.000 . 4.000 2.450 2.343 2.571 . 0 0 "[ . 1 .]" 1
103 1 26 LYS H 1 26 LYS QG 0.000 . 5.000 3.986 3.851 4.052 . 0 0 "[ . 1 .]" 1
104 1 20 LEU QD 1 26 LYS H 0.000 . 7.500 3.142 2.814 3.745 . 0 0 "[ . 1 .]" 1
105 1 26 LYS HA 1 27 VAL H 0.000 . 2.800 2.178 2.145 2.231 . 0 0 "[ . 1 .]" 1
106 1 27 VAL H 1 27 VAL HA 0.000 . 3.000 2.988 2.961 3.004 0.004 15 0 "[ . 1 .]" 1
107 1 27 VAL H 1 27 VAL HB 0.000 . 2.800 2.539 2.372 2.707 . 0 0 "[ . 1 .]" 1
108 1 27 VAL H 1 35 ILE H 0.000 . 3.000 3.034 2.721 3.110 0.110 9 0 "[ . 1 .]" 1
109 1 26 LYS QG 1 27 VAL H 0.000 . 5.500 2.801 2.388 3.228 . 0 0 "[ . 1 .]" 1
110 1 27 VAL H 1 27 VAL MG2 0.000 . 4.500 2.803 2.266 3.375 . 0 0 "[ . 1 .]" 1
111 1 27 VAL H 1 36 LEU HA 0.000 . 4.000 3.491 3.262 3.691 . 0 0 "[ . 1 .]" 1
112 1 17 SER QB 1 28 LYS H 0.000 . 4.500 3.518 2.955 4.126 . 0 0 "[ . 1 .]" 1
113 1 27 VAL MG2 1 28 LYS H 0.000 . 4.500 3.751 3.416 3.931 . 0 0 "[ . 1 .]" 1
114 1 27 VAL MG1 1 28 LYS H 0.000 . 4.500 2.159 1.907 2.568 . 0 0 "[ . 1 .]" 1
115 1 27 VAL HA 1 28 LYS H 0.000 . 3.000 2.174 2.118 2.227 . 0 0 "[ . 1 .]" 1
116 1 16 VAL HA 1 28 LYS H 0.000 . 3.500 3.620 3.576 3.669 0.169 10 0 "[ . 1 .]" 1
117 1 29 LEU H 1 35 ILE H 0.000 . 4.500 4.434 4.100 4.570 0.070 5 0 "[ . 1 .]" 1
118 1 29 LEU H 1 34 GLU HA 0.000 . 4.000 3.097 2.539 3.825 . 0 0 "[ . 1 .]" 1
119 1 29 LEU H 1 29 LEU HA 0.000 . 2.800 2.877 2.838 2.912 0.112 10 0 "[ . 1 .]" 1
120 1 28 LYS HA 1 29 LEU H 0.000 . 3.500 2.125 2.090 2.155 . 0 0 "[ . 1 .]" 1
121 1 28 LYS QG 1 29 LEU H 0.000 . 6.000 3.548 2.770 4.310 . 0 0 "[ . 1 .]" 1
122 1 29 LEU H 1 29 LEU MD1 0.000 . 5.500 2.271 1.581 3.638 . 0 0 "[ . 1 .]" 1
123 1 29 LEU H 1 29 LEU MD2 0.000 . 5.500 3.641 2.445 4.026 . 0 0 "[ . 1 .]" 1
124 1 29 LEU H 1 29 LEU HG 0.000 . 2.800 2.678 1.771 3.058 0.258 4 0 "[ . 1 .]" 1
125 1 30 GLU H 1 31 ASN H 0.000 . 2.800 2.648 2.427 2.859 0.059 11 0 "[ . 1 .]" 1
126 1 29 LEU H 1 30 GLU H 0.000 . 4.500 4.577 4.530 4.605 0.105 2 0 "[ . 1 .]" 1
127 1 29 LEU HA 1 30 GLU H 0.000 . 3.000 2.349 2.166 2.533 . 0 0 "[ . 1 .]" 1
128 1 30 GLU H 1 30 GLU QG 0.000 . 4.000 2.599 1.631 3.705 . 0 0 "[ . 1 .]" 1
129 1 30 GLU H 1 30 GLU HA 0.000 . 3.000 2.836 2.776 2.913 . 0 0 "[ . 1 .]" 1
130 1 29 LEU MD1 1 30 GLU H 0.000 . 6.000 4.727 4.221 5.033 . 0 0 "[ . 1 .]" 1
131 1 29 LEU MD2 1 30 GLU H 0.000 . 6.000 3.785 2.856 4.389 . 0 0 "[ . 1 .]" 1
132 1 31 ASN H 1 32 GLY H 0.000 . 2.800 2.554 2.421 2.644 . 0 0 "[ . 1 .]" 1
133 1 29 LEU QB 1 31 ASN H 0.000 . 4.000 2.432 2.293 2.757 . 0 0 "[ . 1 .]" 1
134 1 30 GLU QB 1 31 ASN H 0.000 . 4.500 3.132 2.601 3.694 . 0 0 "[ . 1 .]" 1
135 1 30 GLU HA 1 31 ASN H 0.000 . 4.000 3.443 3.363 3.541 . 0 0 "[ . 1 .]" 1
136 1 31 ASN H 1 31 ASN HA 0.000 . 3.000 2.878 2.855 2.918 . 0 0 "[ . 1 .]" 1
137 1 29 LEU MD1 1 31 ASN H 0.000 . 6.000 4.506 4.197 4.729 . 0 0 "[ . 1 .]" 1
138 1 31 ASN HA 1 32 GLY H 0.000 . 4.000 3.403 3.366 3.424 . 0 0 "[ . 1 .]" 1
139 1 31 ASN QB 1 32 GLY H 0.000 . 5.500 3.087 3.003 3.573 . 0 0 "[ . 1 .]" 1
140 1 29 LEU QB 1 32 GLY H 0.000 . 5.000 3.207 2.895 3.384 . 0 0 "[ . 1 .]" 1
141 1 29 LEU QB 1 33 HIS H 0.000 . 4.000 2.940 2.412 3.210 . 0 0 "[ . 1 .]" 1
142 1 29 LEU H 1 33 HIS H 0.000 . 4.000 3.863 3.328 4.114 0.114 3 0 "[ . 1 .]" 1
143 1 32 GLY H 1 33 HIS H 0.000 . 2.800 2.375 2.252 2.503 . 0 0 "[ . 1 .]" 1
144 1 31 ASN H 1 33 HIS H 0.000 . 4.000 3.827 3.668 3.922 . 0 0 "[ . 1 .]" 1
145 1 33 HIS H 1 33 HIS HA 0.000 . 3.000 2.951 2.826 2.992 . 0 0 "[ . 1 .]" 1
146 1 33 HIS H 1 33 HIS HE1 0.000 . 4.000 4.157 4.099 4.222 0.222 5 0 "[ . 1 .]" 1
147 1 32 GLY QA 1 33 HIS H 0.000 . 5.000 2.932 2.906 2.964 . 0 0 "[ . 1 .]" 1
148 1 29 LEU MD1 1 33 HIS H 0.000 . 6.000 3.814 3.498 4.337 . 0 0 "[ . 1 .]" 1
149 1 33 HIS HA 1 34 GLU H 0.000 . 3.000 2.366 2.131 2.553 . 0 0 "[ . 1 .]" 1
150 1 34 GLU H 1 34 GLU HA 0.000 . 2.800 2.949 2.897 2.972 0.172 10 0 "[ . 1 .]" 1
151 1 33 HIS QB 1 34 GLU H 0.000 . 4.500 2.585 2.138 3.592 . 0 0 "[ . 1 .]" 1
152 1 34 GLU H 1 34 GLU QG 0.000 . 4.500 2.498 1.773 4.087 . 0 0 "[ . 1 .]" 1
153 1 28 LYS HA 1 35 ILE H 0.000 . 3.500 3.528 3.321 3.665 0.165 3 0 "[ . 1 .]" 1
154 1 34 GLU HA 1 35 ILE H 0.000 . 2.800 2.231 2.159 2.318 . 0 0 "[ . 1 .]" 1
155 1 35 ILE H 1 35 ILE HB 0.000 . 4.000 2.754 2.644 2.961 . 0 0 "[ . 1 .]" 1
156 1 34 GLU QB 1 35 ILE H 0.000 . 5.500 2.941 2.487 3.831 . 0 0 "[ . 1 .]" 1
157 1 34 GLU QG 1 35 ILE H 0.000 . 4.500 3.760 2.420 4.148 . 0 0 "[ . 1 .]" 1
158 1 35 ILE H 1 35 ILE QG 0.000 . 4.500 3.044 2.663 3.487 . 0 0 "[ . 1 .]" 1
159 1 35 ILE H 1 35 ILE MD 0.000 . 5.500 3.842 1.902 4.363 . 0 0 "[ . 1 .]" 1
160 1 36 LEU H 1 68 GLY H 0.000 . 4.000 4.046 3.997 4.081 0.081 10 0 "[ . 1 .]" 1
161 1 36 LEU H 1 67 ARG HA 0.000 . 2.800 2.890 2.838 3.024 0.224 7 0 "[ . 1 .]" 1
162 1 36 LEU H 1 36 LEU HA 0.000 . 2.800 2.936 2.915 2.964 0.164 7 0 "[ . 1 .]" 1
163 1 35 ILE HA 1 36 LEU H 0.000 . 3.000 2.333 2.206 2.527 . 0 0 "[ . 1 .]" 1
164 1 36 LEU H 1 67 ARG QG 0.000 . 4.500 3.738 3.409 4.103 . 0 0 "[ . 1 .]" 1
165 1 35 ILE MG 1 36 LEU H 0.000 . 6.000 1.845 1.582 2.287 . 0 0 "[ . 1 .]" 1
166 1 35 ILE QG 1 36 LEU H 0.000 . 5.500 3.979 3.651 4.557 . 0 0 "[ . 1 .]" 1
167 1 36 LEU H 1 36 LEU MD1 0.000 . 5.000 2.103 1.659 3.300 . 0 0 "[ . 1 .]" 1
168 1 36 LEU HA 1 37 CYS H 0.000 . 3.000 2.204 2.159 2.324 . 0 0 "[ . 1 .]" 1
169 1 37 CYS H 1 37 CYS HA 0.000 . 3.000 2.987 2.963 3.000 . 0 0 "[ . 1 .]" 1
170 1 26 LYS HA 1 37 CYS H 0.000 . 3.500 3.537 3.429 3.593 0.093 7 0 "[ . 1 .]" 1
171 1 27 VAL MG2 1 37 CYS H 0.000 . 6.500 3.945 3.035 4.947 . 0 0 "[ . 1 .]" 1
172 1 36 LEU MD1 1 37 CYS H 0.000 . 6.500 4.353 4.058 4.993 . 0 0 "[ . 1 .]" 1
173 1 36 LEU MD2 1 37 CYS H 0.000 . 6.000 4.756 3.315 5.143 . 0 0 "[ . 1 .]" 1
174 1 38 HIS H 1 70 ILE H 0.000 . 3.500 3.324 2.970 3.509 0.009 5 0 "[ . 1 .]" 1
175 1 38 HIS H 1 68 GLY H 0.000 . 5.000 4.360 4.170 4.642 . 0 0 "[ . 1 .]" 1
176 1 38 HIS H 1 38 HIS HA 0.000 . 3.000 2.998 2.970 3.007 0.007 14 0 "[ . 1 .]" 1
177 1 37 CYS HA 1 38 HIS H 0.000 . 2.800 2.197 2.134 2.276 . 0 0 "[ . 1 .]" 1
178 1 37 CYS QB 1 38 HIS H 0.000 . 4.500 2.840 2.596 3.089 . 0 0 "[ . 1 .]" 1
179 1 38 HIS H 1 69 ARG HA 0.000 . 2.500 1.814 1.669 1.987 . 0 0 "[ . 1 .]" 1
180 1 38 HIS H 1 69 ARG QB 0.000 . 5.000 2.810 2.548 3.670 . 0 0 "[ . 1 .]" 1
181 1 38 HIS HA 1 39 ILE H 0.000 . 2.800 2.390 2.221 2.538 . 0 0 "[ . 1 .]" 1
182 1 39 ILE H 1 39 ILE HA 0.000 . 2.800 2.940 2.879 2.972 0.172 11 0 "[ . 1 .]" 1
183 1 39 ILE H 1 39 ILE HB 0.000 . 2.800 2.269 2.205 2.368 . 0 0 "[ . 1 .]" 1
184 1 38 HIS QB 1 39 ILE H 0.000 . 4.500 2.962 2.137 3.539 . 0 0 "[ . 1 .]" 1
185 1 39 ILE H 1 39 ILE MG 0.000 . 4.500 3.686 3.614 3.730 . 0 0 "[ . 1 .]" 1
186 1 39 ILE H 1 39 ILE MD 0.000 . 5.500 3.501 3.148 3.718 . 0 0 "[ . 1 .]" 1
187 1 40 SER H 1 40 SER HA 0.000 . 2.800 2.949 2.918 2.971 0.171 11 0 "[ . 1 .]" 1
188 1 40 SER H 1 40 SER QB 0.000 . 3.800 2.491 2.183 3.270 . 0 0 "[ . 1 .]" 1
189 1 39 ILE HA 1 40 SER H 0.000 . 2.800 2.277 2.161 2.434 . 0 0 "[ . 1 .]" 1
190 1 39 ILE HB 1 40 SER H 0.000 . 4.500 3.977 3.738 4.287 . 0 0 "[ . 1 .]" 1
191 1 39 ILE QG 1 40 SER H 0.000 . 4.000 3.579 3.447 3.725 . 0 0 "[ . 1 .]" 1
192 1 39 ILE MG 1 40 SER H 0.000 . 6.000 1.858 1.609 2.267 . 0 0 "[ . 1 .]" 1
193 1 40 SER H 1 43 LEU MD2 0.000 . 6.000 2.852 1.652 4.371 . 0 0 "[ . 1 .]" 1
194 1 40 SER H 1 43 LEU MD1 0.000 . 6.500 3.604 1.915 4.668 . 0 0 "[ . 1 .]" 1
195 1 40 SER H 1 43 LEU QB 0.000 . 5.000 4.015 3.253 4.441 . 0 0 "[ . 1 .]" 1
196 1 41 GLY H 1 42 LYS H 0.000 . 3.000 2.597 2.446 2.884 . 0 0 "[ . 1 .]" 1
197 1 40 SER HA 1 41 GLY H 0.000 . 2.800 2.412 2.126 2.730 . 0 0 "[ . 1 .]" 1
198 1 40 SER QB 1 41 GLY H 0.000 . 3.800 2.600 1.801 3.544 . 0 0 "[ . 1 .]" 1
199 1 42 LYS H 1 43 LEU H 0.000 . 3.000 2.797 2.738 2.864 . 0 0 "[ . 1 .]" 1
200 1 41 GLY QA 1 42 LYS H 0.000 . 3.800 2.895 2.775 2.934 . 0 0 "[ . 1 .]" 1
201 1 42 LYS H 1 42 LYS HA 0.000 . 2.800 2.877 2.846 2.905 0.105 15 0 "[ . 1 .]" 1
202 1 42 LYS H 1 42 LYS QB 0.000 . 3.800 2.289 2.081 2.679 . 0 0 "[ . 1 .]" 1
203 1 40 SER QB 1 42 LYS H 0.000 . 4.500 2.436 2.078 3.157 . 0 0 "[ . 1 .]" 1
204 1 42 LYS H 1 43 LEU QB 0.000 . 5.500 4.700 4.565 4.859 . 0 0 "[ . 1 .]" 1
205 1 43 LEU H 1 43 LEU HA 0.000 . 3.000 2.816 2.801 2.838 . 0 0 "[ . 1 .]" 1
206 1 42 LYS HA 1 43 LEU H 0.000 . 4.000 3.557 3.539 3.583 . 0 0 "[ . 1 .]" 1
207 1 42 LYS QB 1 43 LEU H 0.000 . 4.000 2.250 1.994 3.213 . 0 0 "[ . 1 .]" 1
208 1 43 LEU H 1 43 LEU HG 0.000 . 3.000 2.663 1.869 3.129 0.129 13 0 "[ . 1 .]" 1
209 1 43 LEU H 1 44 ARG H 0.000 . 3.000 2.622 2.516 2.771 . 0 0 "[ . 1 .]" 1
210 1 43 LEU H 1 43 LEU QD 0.000 . 5.000 2.619 1.673 3.328 . 0 0 "[ . 1 .]" 1
211 1 42 LYS H 1 44 ARG H 0.000 . 4.000 3.555 3.327 3.895 . 0 0 "[ . 1 .]" 1
212 1 44 ARG H 1 44 ARG HA 0.000 . 2.800 2.889 2.853 2.925 0.125 12 0 "[ . 1 .]" 1
213 1 42 LYS HA 1 44 ARG H 0.000 . 3.500 3.707 3.645 3.768 0.268 10 0 "[ . 1 .]" 1
214 1 44 ARG H 1 44 ARG QB 0.000 . 3.500 2.131 2.028 2.520 . 0 0 "[ . 1 .]" 1
215 1 44 ARG H 1 44 ARG QG 0.000 . 4.000 3.429 2.096 3.957 . 0 0 "[ . 1 .]" 1
216 1 43 LEU HA 1 44 ARG H 0.000 . 3.500 3.393 3.310 3.455 . 0 0 "[ . 1 .]" 1
217 1 42 LYS QB 1 44 ARG H 0.000 . 6.000 4.056 3.881 4.499 . 0 0 "[ . 1 .]" 1
218 1 43 LEU HG 1 44 ARG H 0.000 . 4.000 3.089 2.159 4.577 0.577 6 1 "[ .+ 1 .]" 1
219 1 43 LEU QD 1 44 ARG H 0.000 . 8.000 3.337 3.063 3.984 . 0 0 "[ . 1 .]" 1
220 1 44 ARG H 1 45 MET H 0.000 . 3.000 2.463 2.236 2.705 . 0 0 "[ . 1 .]" 1
221 1 45 MET H 1 45 MET HA 0.000 . 2.800 2.859 2.804 2.931 0.131 6 0 "[ . 1 .]" 1
222 1 42 LYS HA 1 45 MET H 0.000 . 3.600 3.184 3.001 3.370 . 0 0 "[ . 1 .]" 1
223 1 45 MET H 1 45 MET QB 0.000 . 3.500 2.233 2.111 2.486 . 0 0 "[ . 1 .]" 1
224 1 45 MET H 1 45 MET ME 0.000 . 6.500 4.559 3.828 5.054 . 0 0 "[ . 1 .]" 1
225 1 44 ARG HA 1 45 MET H 0.000 . 4.500 3.517 3.435 3.554 . 0 0 "[ . 1 .]" 1
226 1 45 MET H 1 46 ASN H 0.000 . 3.000 2.553 2.239 2.764 . 0 0 "[ . 1 .]" 1
227 1 45 MET HA 1 46 ASN H 0.000 . 3.500 3.500 3.442 3.546 0.046 11 0 "[ . 1 .]" 1
228 1 45 MET QB 1 46 ASN H 0.000 . 4.000 2.837 2.649 3.656 . 0 0 "[ . 1 .]" 1
229 1 46 ASN H 1 46 ASN HA 0.000 . 3.000 2.917 2.852 2.973 . 0 0 "[ . 1 .]" 1
230 1 43 LEU HA 1 46 ASN H 0.000 . 3.000 3.192 3.113 3.261 0.261 11 0 "[ . 1 .]" 1
231 1 46 ASN H 1 47 PHE H 0.000 . 3.000 2.571 2.347 2.820 . 0 0 "[ . 1 .]" 1
232 1 46 ASN HA 1 47 PHE H 0.000 . 3.500 3.304 3.056 3.521 0.021 8 0 "[ . 1 .]" 1
233 1 45 MET HA 1 47 PHE H 0.000 . 4.500 3.642 3.105 4.455 . 0 0 "[ . 1 .]" 1
234 1 47 PHE H 1 47 PHE HA 0.000 . 2.800 2.345 2.324 2.381 . 0 0 "[ . 1 .]" 1
235 1 46 ASN QB 1 47 PHE H 0.000 . 4.500 3.200 2.577 3.624 . 0 0 "[ . 1 .]" 1
236 1 48 ILE H 1 48 ILE HA 0.000 . 2.800 2.952 2.924 2.974 0.174 9 0 "[ . 1 .]" 1
237 1 47 PHE HA 1 48 ILE H 0.000 . 2.800 2.458 2.215 2.873 0.073 11 0 "[ . 1 .]" 1
238 1 48 ILE H 1 48 ILE HB 0.000 . 2.800 2.710 2.375 2.910 0.110 8 0 "[ . 1 .]" 1
239 1 47 PHE QB 1 48 ILE H 0.000 . 5.000 3.944 3.771 4.041 . 0 0 "[ . 1 .]" 1
240 1 48 ILE H 1 48 ILE QG 0.000 . 3.800 2.722 1.911 3.651 . 0 0 "[ . 1 .]" 1
241 1 48 ILE HA 1 49 ARG H 0.000 . 2.800 2.382 2.147 2.905 0.105 8 0 "[ . 1 .]" 1
242 1 49 ARG H 1 49 ARG HA 0.000 . 2.800 2.915 2.838 2.972 0.172 14 0 "[ . 1 .]" 1
243 1 49 ARG H 1 49 ARG QB 0.000 . 3.500 2.774 2.260 3.227 . 0 0 "[ . 1 .]" 1
244 1 48 ILE MG 1 49 ARG H 0.000 . 5.500 2.177 1.578 3.468 . 0 0 "[ . 1 .]" 1
245 1 49 ARG HA 1 50 ILE H 0.000 . 2.500 2.244 2.133 2.384 . 0 0 "[ . 1 .]" 1
246 1 50 ILE H 1 50 ILE HA 0.000 . 3.000 2.977 2.911 2.996 . 0 0 "[ . 1 .]" 1
247 1 50 ILE H 1 50 ILE HB 0.000 . 2.800 2.521 2.321 2.767 . 0 0 "[ . 1 .]" 1
248 1 49 ARG QB 1 50 ILE H 0.000 . 6.000 3.456 2.522 4.017 . 0 0 "[ . 1 .]" 1
249 1 49 ARG QG 1 50 ILE H 0.000 . 5.000 3.851 2.310 4.687 . 0 0 "[ . 1 .]" 1
250 1 50 ILE H 1 50 ILE QG 0.000 . 5.000 2.995 2.086 3.994 . 0 0 "[ . 1 .]" 1
251 1 50 ILE HA 1 51 LEU H 0.000 . 2.500 2.221 2.136 2.294 . 0 0 "[ . 1 .]" 1
252 1 51 LEU H 1 51 LEU QB 0.000 . 3.500 2.603 2.213 3.182 . 0 0 "[ . 1 .]" 1
253 1 50 ILE MG 1 51 LEU H 0.000 . 5.000 2.429 2.037 3.389 . 0 0 "[ . 1 .]" 1
254 1 50 ILE QG 1 51 LEU H 0.000 . 6.000 3.881 2.045 4.548 . 0 0 "[ . 1 .]" 1
255 1 51 LEU H 1 51 LEU MD1 0.000 . 5.000 3.364 1.602 4.149 . 0 0 "[ . 1 .]" 1
256 1 51 LEU H 1 54 ASP QB 0.000 . 4.500 3.239 2.550 3.987 . 0 0 "[ . 1 .]" 1
257 1 51 LEU HA 1 52 GLU H 0.000 . 3.000 2.262 2.153 2.611 . 0 0 "[ . 1 .]" 1
258 1 52 GLU H 1 52 GLU HA 0.000 . 2.500 2.747 2.691 2.855 0.355 12 0 "[ . 1 .]" 1
259 1 52 GLU H 1 52 GLU QB 0.000 . 3.500 2.576 2.134 2.748 . 0 0 "[ . 1 .]" 1
260 1 51 LEU QB 1 52 GLU H 0.000 . 4.000 2.908 2.092 3.630 . 0 0 "[ . 1 .]" 1
261 1 52 GLU H 1 52 GLU QG 0.000 . 4.000 2.147 1.693 3.765 . 0 0 "[ . 1 .]" 1
262 1 51 LEU QD 1 52 GLU H 0.000 . 7.500 3.544 2.578 4.271 . 0 0 "[ . 1 .]" 1
263 1 53 GLY H 1 54 ASP H 0.000 . 2.800 2.564 2.326 2.707 . 0 0 "[ . 1 .]" 1
264 1 52 GLU HA 1 53 GLY H 0.000 . 3.000 2.276 2.235 2.293 . 0 0 "[ . 1 .]" 1
265 1 16 VAL HB 1 53 GLY H 0.000 . 2.800 2.223 1.825 2.488 . 0 0 "[ . 1 .]" 1
266 1 52 GLU QB 1 53 GLY H 0.000 . 4.500 2.762 2.681 3.392 . 0 0 "[ . 1 .]" 1
267 1 16 VAL QG 1 53 GLY H 0.000 . 7.500 3.026 2.644 3.403 . 0 0 "[ . 1 .]" 1
268 1 54 ASP H 1 54 ASP HA 0.000 . 2.800 2.921 2.888 2.959 0.159 1 0 "[ . 1 .]" 1
269 1 52 GLU HA 1 54 ASP H 0.000 . 3.000 3.091 3.037 3.115 0.115 9 0 "[ . 1 .]" 1
270 1 16 VAL HB 1 54 ASP H 0.000 . 3.000 2.909 2.694 3.007 0.007 13 0 "[ . 1 .]" 1
271 1 16 VAL MG2 1 54 ASP H 0.000 . 6.000 3.590 3.204 3.953 . 0 0 "[ . 1 .]" 1
272 1 16 VAL MG1 1 54 ASP H 0.000 . 6.500 4.283 3.978 4.479 . 0 0 "[ . 1 .]" 1
273 1 50 ILE MG 1 54 ASP H 0.000 . 6.500 4.320 3.614 5.419 . 0 0 "[ . 1 .]" 1
274 1 55 LYS H 1 55 LYS HA 0.000 . 3.000 2.867 2.848 2.919 . 0 0 "[ . 1 .]" 1
275 1 55 LYS H 1 55 LYS QB 0.000 . 3.500 2.407 2.063 2.910 . 0 0 "[ . 1 .]" 1
276 1 54 ASP HA 1 55 LYS H 0.000 . 2.500 2.246 2.162 2.381 . 0 0 "[ . 1 .]" 1
277 1 54 ASP QB 1 55 LYS H 0.000 . 4.000 3.230 2.905 3.706 . 0 0 "[ . 1 .]" 1
278 1 55 LYS H 1 55 LYS QG 0.000 . 4.000 2.538 1.578 3.510 . 0 0 "[ . 1 .]" 1
279 1 55 LYS HA 1 56 VAL H 0.000 . 2.500 2.157 2.106 2.265 . 0 0 "[ . 1 .]" 1
280 1 15 THR HA 1 56 VAL H 0.000 . 2.800 2.990 2.944 3.075 0.275 14 0 "[ . 1 .]" 1
281 1 56 VAL H 1 56 VAL MG1 0.000 . 4.500 2.915 2.717 3.091 . 0 0 "[ . 1 .]" 1
282 1 56 VAL H 1 56 VAL MG2 0.000 . 4.500 2.102 1.886 2.268 . 0 0 "[ . 1 .]" 1
283 1 56 VAL H 1 56 VAL HB 0.000 . 4.000 3.854 3.795 3.905 . 0 0 "[ . 1 .]" 1
284 1 55 LYS QG 1 56 VAL H 0.000 . 4.500 3.750 2.599 4.311 . 0 0 "[ . 1 .]" 1
285 1 56 VAL H 1 56 VAL HA 0.000 . 3.000 2.968 2.955 2.978 . 0 0 "[ . 1 .]" 1
286 1 56 VAL HB 1 57 ASN H 0.000 . 2.800 2.455 2.296 2.621 . 0 0 "[ . 1 .]" 1
287 1 56 VAL HA 1 57 ASN H 0.000 . 2.800 2.414 2.369 2.463 . 0 0 "[ . 1 .]" 1
288 1 56 VAL MG1 1 57 ASN H 0.000 . 6.000 3.727 3.567 3.909 . 0 0 "[ . 1 .]" 1
289 1 56 VAL MG2 1 57 ASN H 0.000 . 5.500 3.402 3.261 3.588 . 0 0 "[ . 1 .]" 1
290 1 57 ASN H 1 70 ILE MG 0.000 . 5.500 3.204 2.762 3.834 . 0 0 "[ . 1 .]" 1
291 1 57 ASN H 1 72 TRP H 0.000 . 3.500 3.583 3.530 3.629 0.129 11 0 "[ . 1 .]" 1
292 1 57 ASN H 1 73 ARG HA 0.000 . 4.500 3.304 3.002 3.662 . 0 0 "[ . 1 .]" 1
293 1 13 GLU HA 1 58 VAL H 0.000 . 2.800 2.667 2.434 2.852 0.052 13 0 "[ . 1 .]" 1
294 1 58 VAL H 1 58 VAL HA 0.000 . 2.800 2.961 2.956 2.966 0.166 10 0 "[ . 1 .]" 1
295 1 58 VAL H 1 58 VAL HB 0.000 . 2.800 2.573 2.414 2.736 . 0 0 "[ . 1 .]" 1
296 1 57 ASN QB 1 58 VAL H 0.000 . 5.800 3.507 3.300 3.607 . 0 0 "[ . 1 .]" 1
297 1 57 ASN HA 1 58 VAL H 0.000 . 2.500 2.137 2.119 2.153 . 0 0 "[ . 1 .]" 1
298 1 59 GLU H 1 69 ARG H 0.000 . 2.800 2.286 1.965 2.607 . 0 0 "[ . 1 .]" 1
299 1 58 VAL HA 1 59 GLU H 0.000 . 2.500 2.111 2.092 2.137 . 0 0 "[ . 1 .]" 1
300 1 58 VAL H 1 59 GLU H 0.000 . 5.000 4.409 4.330 4.498 . 0 0 "[ . 1 .]" 1
301 1 59 GLU H 1 59 GLU QB 0.000 . 3.800 2.370 2.204 2.977 . 0 0 "[ . 1 .]" 1
302 1 59 GLU H 1 59 GLU QG 0.000 . 5.000 3.401 1.661 4.045 . 0 0 "[ . 1 .]" 1
303 1 58 VAL MG1 1 59 GLU H 0.000 . 5.000 2.753 2.328 2.959 . 0 0 "[ . 1 .]" 1
304 1 58 VAL MG2 1 59 GLU H 0.000 . 5.500 4.104 3.920 4.239 . 0 0 "[ . 1 .]" 1
305 1 59 GLU H 1 70 ILE HA 0.000 . 4.500 3.930 3.792 4.113 . 0 0 "[ . 1 .]" 1
306 1 59 GLU H 1 71 THR MG 0.000 . 6.500 4.370 3.415 4.845 . 0 0 "[ . 1 .]" 1
307 1 59 GLU H 1 60 LEU HG 0.000 . 5.000 4.735 4.494 5.010 0.010 6 0 "[ . 1 .]" 1
308 1 11 GLU HA 1 60 LEU H 0.000 . 4.000 3.603 3.092 3.935 . 0 0 "[ . 1 .]" 1
309 1 59 GLU HA 1 60 LEU H 0.000 . 2.500 2.155 2.134 2.175 . 0 0 "[ . 1 .]" 1
310 1 59 GLU QB 1 60 LEU H 0.000 . 5.000 3.708 3.371 3.944 . 0 0 "[ . 1 .]" 1
311 1 59 GLU QG 1 60 LEU H 0.000 . 5.000 3.537 2.753 4.500 . 0 0 "[ . 1 .]" 1
312 1 60 LEU H 1 60 LEU HG 0.000 . 2.800 2.202 1.909 2.434 . 0 0 "[ . 1 .]" 1
313 1 60 LEU H 1 60 LEU HA 0.000 . 3.000 2.958 2.922 2.988 . 0 0 "[ . 1 .]" 1
314 1 10 ILE HB 1 60 LEU H 0.000 . 3.500 3.201 2.757 3.375 . 0 0 "[ . 1 .]" 1
315 1 9 VAL MG1 1 60 LEU H 0.000 . 5.500 4.410 4.143 4.521 . 0 0 "[ . 1 .]" 1
316 1 60 LEU HA 1 61 SER H 0.000 . 2.500 2.223 2.135 2.356 . 0 0 "[ . 1 .]" 1
317 1 60 LEU QB 1 61 SER H 0.000 . 4.500 2.924 2.590 3.351 . 0 0 "[ . 1 .]" 1
318 1 60 LEU MD2 1 61 SER H 0.000 . 6.000 3.687 3.492 3.937 . 0 0 "[ . 1 .]" 1
319 1 61 SER H 1 68 GLY QA 0.000 . 5.000 3.049 2.454 3.365 . 0 0 "[ . 1 .]" 1
320 1 63 TYR H 1 63 TYR HA 0.000 . 3.000 2.901 2.870 2.927 . 0 0 "[ . 1 .]" 1
321 1 62 PRO HA 1 63 TYR H 0.000 . 4.000 3.355 3.281 3.467 . 0 0 "[ . 1 .]" 1
322 1 63 TYR H 1 64 ASP H 0.000 . 2.500 2.047 1.908 2.194 . 0 0 "[ . 1 .]" 1
323 1 63 TYR H 1 64 ASP HA 0.000 . 4.500 4.773 4.683 4.830 0.330 1 0 "[ . 1 .]" 1
324 1 62 PRO QD 1 63 TYR H 0.000 . 4.000 2.872 2.636 3.034 . 0 0 "[ . 1 .]" 1
325 1 62 PRO QB 1 63 TYR H 0.000 . 5.000 3.438 3.242 3.541 . 0 0 "[ . 1 .]" 1
326 1 64 ASP H 1 65 LEU H 0.000 . 3.500 3.461 3.183 3.562 0.062 1 0 "[ . 1 .]" 1
327 1 63 TYR HA 1 64 ASP H 0.000 . 3.500 3.361 3.293 3.412 . 0 0 "[ . 1 .]" 1
328 1 64 ASP H 1 64 ASP HA 0.000 . 2.900 2.907 2.796 2.946 0.046 13 0 "[ . 1 .]" 1
329 1 61 SER QB 1 64 ASP H 0.000 . 4.500 2.792 2.298 3.671 . 0 0 "[ . 1 .]" 1
330 1 63 TYR QB 1 64 ASP H 0.000 . 4.500 3.003 2.851 3.509 . 0 0 "[ . 1 .]" 1
331 1 64 ASP H 1 65 LEU MD2 0.000 . 6.500 4.796 4.114 5.336 . 0 0 "[ . 1 .]" 1
332 1 65 LEU H 1 66 THR H 0.000 . 2.800 2.886 2.846 2.933 0.133 13 0 "[ . 1 .]" 1
333 1 64 ASP HA 1 65 LEU H 0.000 . 2.900 2.278 2.159 2.412 . 0 0 "[ . 1 .]" 1
334 1 65 LEU H 1 65 LEU HA 0.000 . 2.900 2.878 2.863 2.897 . 0 0 "[ . 1 .]" 1
335 1 65 LEU H 1 65 LEU QB 0.000 . 3.500 2.422 2.305 2.486 . 0 0 "[ . 1 .]" 1
336 1 64 ASP QB 1 65 LEU H 0.000 . 5.500 3.839 3.581 4.013 . 0 0 "[ . 1 .]" 1
337 1 65 LEU H 1 65 LEU HG 0.000 . 2.500 2.296 2.063 2.553 0.053 9 0 "[ . 1 .]" 1
338 1 64 ASP HA 1 66 THR H 0.000 . 3.500 3.220 3.106 3.382 . 0 0 "[ . 1 .]" 1
339 1 65 LEU HA 1 66 THR H 0.000 . 2.800 2.975 2.912 3.013 0.213 6 0 "[ . 1 .]" 1
340 1 65 LEU QB 1 66 THR H 0.000 . 4.500 3.634 3.596 3.689 . 0 0 "[ . 1 .]" 1
341 1 66 THR H 1 66 THR HB 0.000 . 3.500 3.087 2.469 3.660 0.160 14 0 "[ . 1 .]" 1
342 1 66 THR H 1 67 ARG H 0.000 . 2.500 2.001 1.794 2.134 . 0 0 "[ . 1 .]" 1
343 1 66 THR H 1 67 ARG QB 0.000 . 5.000 4.068 3.793 4.283 . 0 0 "[ . 1 .]" 1
344 1 60 LEU MD2 1 66 THR H 0.000 . 6.500 4.844 4.348 5.195 . 0 0 "[ . 1 .]" 1
345 1 66 THR HB 1 67 ARG H 0.000 . 4.000 3.540 3.028 4.014 0.014 14 0 "[ . 1 .]" 1
346 1 67 ARG H 1 67 ARG QG 0.000 . 4.500 3.271 2.520 4.155 . 0 0 "[ . 1 .]" 1
347 1 67 ARG H 1 67 ARG QD 0.000 . 4.500 3.976 3.684 4.245 . 0 0 "[ . 1 .]" 1
348 1 60 LEU MD2 1 67 ARG H 0.000 . 6.500 3.987 3.421 4.586 . 0 0 "[ . 1 .]" 1
349 1 66 THR MG 1 67 ARG H 0.000 . 6.500 4.137 3.944 4.302 . 0 0 "[ . 1 .]" 1
350 1 37 CYS HA 1 68 GLY H 0.000 . 2.800 2.714 2.633 2.834 0.034 12 0 "[ . 1 .]" 1
351 1 67 ARG HA 1 68 GLY H 0.000 . 2.500 2.229 2.175 2.294 . 0 0 "[ . 1 .]" 1
352 1 37 CYS QB 1 68 GLY H 0.000 . 5.500 4.263 3.658 4.607 . 0 0 "[ . 1 .]" 1
353 1 35 ILE MG 1 68 GLY H 0.000 . 5.500 2.768 2.418 3.023 . 0 0 "[ . 1 .]" 1
354 1 58 VAL HA 1 69 ARG H 0.000 . 4.000 3.442 3.243 3.590 . 0 0 "[ . 1 .]" 1
355 1 60 LEU HA 1 69 ARG H 0.000 . 4.000 4.089 4.042 4.159 0.159 14 0 "[ . 1 .]" 1
356 1 68 GLY QA 1 69 ARG H 0.000 . 3.800 2.249 2.207 2.323 . 0 0 "[ . 1 .]" 1
357 1 69 ARG H 1 69 ARG QG 0.000 . 4.000 2.356 2.143 3.251 . 0 0 "[ . 1 .]" 1
358 1 58 VAL MG1 1 69 ARG H 0.000 . 6.000 2.536 2.223 2.735 . 0 0 "[ . 1 .]" 1
359 1 60 LEU MD2 1 69 ARG H 0.000 . 6.500 4.199 3.828 4.796 . 0 0 "[ . 1 .]" 1
360 1 69 ARG HA 1 70 ILE H 0.000 . 2.500 2.204 2.103 2.285 . 0 0 "[ . 1 .]" 1
361 1 37 CYS QB 1 70 ILE H 0.000 . 5.000 2.811 2.530 3.078 . 0 0 "[ . 1 .]" 1
362 1 69 ARG QB 1 70 ILE H 0.000 . 3.500 2.916 2.730 3.113 . 0 0 "[ . 1 .]" 1
363 1 70 ILE H 1 70 ILE HB 0.000 . 2.800 2.450 2.143 2.635 . 0 0 "[ . 1 .]" 1
364 1 70 ILE H 1 70 ILE QG 0.000 . 3.800 2.598 2.076 3.672 . 0 0 "[ . 1 .]" 1
365 1 39 ILE HA 1 70 ILE H 0.000 . 3.500 3.408 3.205 3.537 0.037 11 0 "[ . 1 .]" 1
366 1 43 LEU MD2 1 70 ILE H 0.000 . 6.500 4.998 4.354 5.409 . 0 0 "[ . 1 .]" 1
367 1 57 ASN QB 1 71 THR H 0.000 . 5.500 3.869 3.652 4.171 . 0 0 "[ . 1 .]" 1
368 1 58 VAL HA 1 71 THR H 0.000 . 5.000 4.400 4.201 4.906 . 0 0 "[ . 1 .]" 1
369 1 71 THR H 1 72 TRP H 0.000 . 2.500 2.011 1.935 2.109 . 0 0 "[ . 1 .]" 1
370 1 70 ILE HA 1 71 THR H 0.000 . 2.500 2.126 2.095 2.162 . 0 0 "[ . 1 .]" 1
371 1 70 ILE MG 1 71 THR H 0.000 . 5.000 2.769 2.543 3.036 . 0 0 "[ . 1 .]" 1
372 1 70 ILE HB 1 71 THR H 0.000 . 4.500 4.267 4.156 4.526 0.026 15 0 "[ . 1 .]" 1
373 1 70 ILE MG 1 72 TRP H 0.000 . 4.500 2.350 1.991 2.787 . 0 0 "[ . 1 .]" 1
374 1 70 ILE HA 1 72 TRP HE1 0.000 . 3.500 3.695 3.540 3.856 0.356 12 0 "[ . 1 .]" 1
375 1 71 THR MG 1 72 TRP HE1 0.000 . 6.500 3.528 1.919 4.059 . 0 0 "[ . 1 .]" 1
376 1 73 ARG H 1 73 ARG HA 0.000 . 2.800 2.862 2.826 2.928 0.128 7 0 "[ . 1 .]" 1
377 1 72 TRP HA 1 73 ARG H 0.000 . 2.800 2.197 2.151 2.376 . 0 0 "[ . 1 .]" 1
378 1 72 TRP QB 1 73 ARG H 0.000 . 5.500 3.349 2.522 3.555 . 0 0 "[ . 1 .]" 1
379 1 43 LEU MD1 1 73 ARG H 0.000 . 6.000 4.902 4.677 5.095 . 0 0 "[ . 1 .]" 1
380 1 74 LYS H 1 74 LYS HA 0.000 . 2.800 2.837 2.746 2.973 0.173 8 0 "[ . 1 .]" 1
381 1 73 ARG HA 1 74 LYS H 0.000 . 2.500 2.292 2.152 2.406 . 0 0 "[ . 1 .]" 1
382 1 56 VAL HA 1 74 LYS H 0.000 . 3.500 2.616 1.844 3.172 . 0 0 "[ . 1 .]" 1
383 1 55 LYS QB 1 74 LYS H 0.000 . 5.000 3.978 3.477 4.379 . 0 0 "[ . 1 .]" 1
384 1 74 LYS HA 1 75 LYS H 0.000 . 2.800 2.237 2.142 2.398 . 0 0 "[ . 1 .]" 1
385 1 10 ILE HA 1 11 GLU QG 0.000 . 5.000 3.682 3.206 4.359 . 0 0 "[ . 1 .]" 1
386 1 10 ILE MG 1 12 LEU HG 0.000 . 4.000 2.550 2.159 2.916 . 0 0 "[ . 1 .]" 1
387 1 10 ILE MG 1 12 LEU MD1 0.000 . 7.000 2.288 2.006 2.688 . 0 0 "[ . 1 .]" 1
388 1 10 ILE MG 1 12 LEU MD2 0.000 . 7.000 3.707 3.202 4.089 . 0 0 "[ . 1 .]" 1
389 1 11 GLU HA 1 11 GLU QG 0.000 . 3.500 2.673 2.212 3.288 . 0 0 "[ . 1 .]" 1
390 1 11 GLU HA 1 59 GLU HA 0.000 . 3.000 2.428 2.150 2.736 . 0 0 "[ . 1 .]" 1
391 1 9 VAL MG2 1 11 GLU HA 0.000 . 6.000 4.718 4.214 4.921 . 0 0 "[ . 1 .]" 1
392 1 12 LEU HA 1 12 LEU HG 0.000 . 3.000 2.581 2.256 2.855 . 0 0 "[ . 1 .]" 1
393 1 13 GLU HA 1 57 ASN HA 0.000 . 2.300 2.144 2.099 2.181 . 0 0 "[ . 1 .]" 1
394 1 13 GLU HA 1 58 VAL HB 0.000 . 4.500 4.503 4.100 4.594 0.094 2 0 "[ . 1 .]" 1
395 1 13 GLU HA 1 13 GLU QG 0.000 . 3.500 2.426 2.200 2.569 . 0 0 "[ . 1 .]" 1
396 1 13 GLU HA 1 58 VAL MG2 0.000 . 5.500 3.531 3.022 4.066 . 0 0 "[ . 1 .]" 1
397 1 14 GLY QA 1 29 LEU HA 0.000 . 3.400 2.354 1.939 2.757 . 0 0 "[ . 1 .]" 1
398 1 14 GLY QA 1 29 LEU MD2 0.000 . 5.500 3.288 1.906 4.402 . 0 0 "[ . 1 .]" 1
399 1 14 GLY QA 1 27 VAL MG1 0.000 . 5.500 2.146 1.895 2.662 . 0 0 "[ . 1 .]" 1
400 1 15 THR HA 1 55 LYS HA 0.000 . 2.300 2.106 2.076 2.138 . 0 0 "[ . 1 .]" 1
401 1 15 THR HA 1 55 LYS QG 0.000 . 6.000 3.395 2.749 5.172 . 0 0 "[ . 1 .]" 1
402 1 15 THR HA 1 56 VAL QG 0.000 . 7.500 3.025 2.708 3.172 . 0 0 "[ . 1 .]" 1
403 1 16 VAL HA 1 27 VAL HA 0.000 . 2.300 2.189 2.160 2.243 . 0 0 "[ . 1 .]" 1
404 1 16 VAL HA 1 16 VAL HB 0.000 . 3.000 3.046 3.022 3.054 0.054 4 0 "[ . 1 .]" 1
405 1 16 VAL HA 1 27 VAL MG2 0.000 . 5.000 2.129 1.931 2.299 . 0 0 "[ . 1 .]" 1
406 1 16 VAL HA 1 27 VAL MG1 0.000 . 6.500 3.047 2.355 3.728 . 0 0 "[ . 1 .]" 1
407 1 17 SER HA 1 18 GLU HA 0.000 . 5.000 4.524 4.491 4.552 . 0 0 "[ . 1 .]" 1
408 1 16 VAL MG1 1 17 SER HA 0.000 . 6.500 4.065 3.568 4.416 . 0 0 "[ . 1 .]" 1
409 1 18 GLU HA 1 19 ALA HA 0.000 . 4.500 4.397 4.359 4.451 . 0 0 "[ . 1 .]" 1
410 1 18 GLU QB 1 26 LYS QB 0.000 . 5.000 2.214 1.987 2.492 . 0 0 "[ . 1 .]" 1
411 1 19 ALA HA 1 25 PHE QD 0.000 . 6.500 3.439 2.158 4.188 . 0 0 "[ . 1 .]" 1
412 1 19 ALA HA 1 25 PHE HA 0.000 . 3.000 2.840 2.246 3.105 0.105 2 0 "[ . 1 .]" 1
413 1 19 ALA HA 1 25 PHE QB 0.000 . 4.000 2.176 2.097 2.918 . 0 0 "[ . 1 .]" 1
414 1 19 ALA HA 1 20 LEU HA 0.000 . 4.500 4.416 4.396 4.428 . 0 0 "[ . 1 .]" 1
415 1 19 ALA HA 1 20 LEU HG 0.000 . 4.000 3.493 3.145 3.762 . 0 0 "[ . 1 .]" 1
416 1 19 ALA HA 1 20 LEU QB 0.000 . 6.000 4.513 4.300 4.763 . 0 0 "[ . 1 .]" 1
417 1 19 ALA MB 1 25 PHE QD 0.000 . 8.500 3.794 2.516 4.430 . 0 0 "[ . 1 .]" 1
418 1 19 ALA MB 1 25 PHE QB 0.000 . 6.500 3.442 2.710 4.041 . 0 0 "[ . 1 .]" 1
419 1 20 LEU HA 1 20 LEU HG 0.000 . 3.000 3.099 2.890 3.273 0.273 1 0 "[ . 1 .]" 1
420 1 20 LEU HA 1 20 LEU MD2 0.000 . 4.500 2.283 2.037 3.890 . 0 0 "[ . 1 .]" 1
421 1 19 ALA MB 1 20 LEU HA 0.000 . 6.500 4.163 4.048 4.252 . 0 0 "[ . 1 .]" 1
422 1 20 LEU HA 1 21 PRO HA 0.000 . 4.500 4.383 4.323 4.408 . 0 0 "[ . 1 .]" 1
423 1 21 PRO HA 1 22 ASN HA 0.000 . 4.500 4.628 4.529 4.747 0.247 12 0 "[ . 1 .]" 1
424 1 22 ASN HA 1 23 ALA MB 0.000 . 6.500 3.695 3.595 3.756 . 0 0 "[ . 1 .]" 1
425 1 22 ASN HA 1 23 ALA HA 0.000 . 5.000 4.948 4.828 5.021 0.021 1 0 "[ . 1 .]" 1
426 1 24 MET HA 1 38 HIS HA 0.000 . 3.000 2.391 2.186 2.717 . 0 0 "[ . 1 .]" 1
427 1 24 MET HA 1 24 MET QG 0.000 . 4.000 2.557 2.128 3.263 . 0 0 "[ . 1 .]" 1
428 1 24 MET HA 1 25 PHE QD 0.000 . 6.500 3.552 3.290 4.191 . 0 0 "[ . 1 .]" 1
429 1 20 LEU QB 1 25 PHE HA 0.000 . 5.500 3.048 2.213 4.463 . 0 0 "[ . 1 .]" 1
430 1 20 LEU HG 1 25 PHE HA 0.000 . 2.500 2.215 2.161 2.619 0.119 1 0 "[ . 1 .]" 1
431 1 20 LEU MD1 1 25 PHE HA 0.000 . 4.500 2.808 2.129 3.342 . 0 0 "[ . 1 .]" 1
432 1 20 LEU MD2 1 25 PHE HA 0.000 . 6.500 3.841 3.689 3.903 . 0 0 "[ . 1 .]" 1
433 1 26 LYS HA 1 36 LEU HA 0.000 . 2.800 2.762 2.526 2.847 0.047 7 0 "[ . 1 .]" 1
434 1 26 LYS HA 1 26 LYS QD 0.000 . 5.000 3.962 3.297 4.194 . 0 0 "[ . 1 .]" 1
435 1 20 LEU MD2 1 26 LYS HA 0.000 . 6.500 5.249 4.398 5.514 . 0 0 "[ . 1 .]" 1
436 1 26 LYS HA 1 27 VAL MG2 0.000 . 5.500 3.750 3.374 4.196 . 0 0 "[ . 1 .]" 1
437 1 26 LYS QB 1 27 VAL HA 0.000 . 5.500 4.411 4.195 4.687 . 0 0 "[ . 1 .]" 1
438 1 27 VAL HA 1 27 VAL HB 0.000 . 3.000 3.036 2.995 3.051 0.051 8 0 "[ . 1 .]" 1
439 1 16 VAL MG1 1 27 VAL HA 0.000 . 6.500 3.716 3.598 3.962 . 0 0 "[ . 1 .]" 1
440 1 16 VAL MG2 1 27 VAL HA 0.000 . 6.500 4.100 3.831 4.305 . 0 0 "[ . 1 .]" 1
441 1 16 VAL MG2 1 27 VAL MG2 0.000 . 5.500 2.420 1.990 2.803 . 0 0 "[ . 1 .]" 1
442 1 28 LYS HA 1 34 GLU HA 0.000 . 2.300 2.166 2.089 2.339 0.039 5 0 "[ . 1 .]" 1
443 1 28 LYS HA 1 28 LYS QG 0.000 . 3.500 2.645 2.154 3.294 . 0 0 "[ . 1 .]" 1
444 1 26 LYS QG 1 28 LYS HA 0.000 . 6.500 4.941 4.413 5.439 . 0 0 "[ . 1 .]" 1
445 1 29 LEU HA 1 29 LEU HG 0.000 . 3.000 2.545 2.208 3.299 0.299 2 0 "[ . 1 .]" 1
446 1 29 LEU HA 1 29 LEU MD2 0.000 . 4.500 3.001 1.943 3.639 . 0 0 "[ . 1 .]" 1
447 1 29 LEU MD2 1 58 VAL MG1 0.000 . 6.500 3.871 2.806 4.473 . 0 0 "[ . 1 .]" 1
448 1 29 LEU MD2 1 58 VAL MG2 0.000 . 7.500 3.734 2.068 4.542 . 0 0 "[ . 1 .]" 1
449 1 29 LEU QB 1 33 HIS QB 0.000 . 6.000 3.034 2.161 3.599 . 0 0 "[ . 1 .]" 1
450 1 29 LEU HA 1 30 GLU HA 0.000 . 4.500 4.326 4.305 4.357 . 0 0 "[ . 1 .]" 1
451 1 31 ASN HA 1 32 GLY QA 0.000 . 6.000 4.219 4.204 4.229 . 0 0 "[ . 1 .]" 1
452 1 32 GLY QA 1 33 HIS HA 0.000 . 6.000 4.048 4.025 4.166 . 0 0 "[ . 1 .]" 1
453 1 33 HIS HA 1 34 GLU HA 0.000 . 4.500 4.438 4.353 4.502 0.002 1 0 "[ . 1 .]" 1
454 1 33 HIS HA 1 34 GLU QB 0.000 . 5.500 4.214 3.870 4.399 . 0 0 "[ . 1 .]" 1
455 1 33 HIS HA 1 33 HIS HD2 0.000 . 3.000 3.057 2.983 3.129 0.129 7 0 "[ . 1 .]" 1
456 1 28 LYS QB 1 33 HIS HA 0.000 . 6.500 5.678 5.517 5.835 . 0 0 "[ . 1 .]" 1
457 1 29 LEU MD1 1 33 HIS QB 0.000 . 6.500 2.503 2.084 3.050 . 0 0 "[ . 1 .]" 1
458 1 28 LYS QB 1 34 GLU HA 0.000 . 6.000 3.816 3.172 4.266 . 0 0 "[ . 1 .]" 1
459 1 29 LEU HG 1 34 GLU HA 0.000 . 5.000 4.775 4.138 5.108 0.108 8 0 "[ . 1 .]" 1
460 1 35 ILE HA 1 35 ILE HB 0.000 . 2.500 2.993 2.967 3.005 0.505 8 3 "[ -. *+ 1 .]" 1
461 1 35 ILE HA 1 35 ILE MD 0.000 . 4.500 3.414 2.123 3.841 . 0 0 "[ . 1 .]" 1
462 1 35 ILE HA 1 36 LEU HA 0.000 . 4.500 4.333 4.318 4.356 . 0 0 "[ . 1 .]" 1
463 1 35 ILE HA 1 36 LEU MD1 0.000 . 6.000 2.903 2.340 4.597 . 0 0 "[ . 1 .]" 1
464 1 36 LEU HA 1 36 LEU HG 0.000 . 2.800 2.559 2.457 2.745 . 0 0 "[ . 1 .]" 1
465 1 36 LEU QB 1 67 ARG QG 0.000 . 6.000 2.375 1.973 3.209 . 0 0 "[ . 1 .]" 1
466 1 37 CYS HA 1 58 VAL MG1 0.000 . 6.500 3.975 3.559 4.284 . 0 0 "[ . 1 .]" 1
467 1 37 CYS HA 1 67 ARG HA 0.000 . 4.500 4.551 4.436 4.636 0.136 4 0 "[ . 1 .]" 1
468 1 37 CYS HA 1 69 ARG HA 0.000 . 2.800 2.822 2.540 2.998 0.198 15 0 "[ . 1 .]" 1
469 1 35 ILE MG 1 37 CYS HA 0.000 . 5.500 4.207 3.735 4.452 . 0 0 "[ . 1 .]" 1
470 1 36 LEU HA 1 37 CYS QB 0.000 . 5.500 4.428 4.239 4.583 . 0 0 "[ . 1 .]" 1
471 1 37 CYS QB 1 70 ILE MD 0.000 . 5.500 2.310 1.792 3.309 . 0 0 "[ . 1 .]" 1
472 1 37 CYS QB 1 58 VAL QG 0.000 . 8.500 2.824 2.168 3.197 . 0 0 "[ . 1 .]" 1
473 1 27 VAL MG2 1 37 CYS QB 0.000 . 6.500 2.649 2.164 3.466 . 0 0 "[ . 1 .]" 1
474 1 38 HIS HA 1 38 HIS HD2 0.000 . 4.000 3.378 2.238 3.983 . 0 0 "[ . 1 .]" 1
475 1 38 HIS HA 1 39 ILE HA 0.000 . 5.000 4.358 4.326 4.414 . 0 0 "[ . 1 .]" 1
476 1 25 PHE QD 1 38 HIS HA 0.000 . 5.000 4.199 3.865 4.720 . 0 0 "[ . 1 .]" 1
477 1 38 HIS HA 1 39 ILE HB 0.000 . 5.000 4.472 4.376 4.593 . 0 0 "[ . 1 .]" 1
478 1 38 HIS HA 1 39 ILE QG 0.000 . 5.000 3.781 3.536 4.133 . 0 0 "[ . 1 .]" 1
479 1 39 ILE HA 1 39 ILE HB 0.000 . 3.000 3.027 3.008 3.038 0.038 12 0 "[ . 1 .]" 1
480 1 39 ILE HA 1 39 ILE QG 0.000 . 3.500 2.279 2.214 2.317 . 0 0 "[ . 1 .]" 1
481 1 41 GLY QA 1 44 ARG QB 0.000 . 4.500 2.253 2.110 3.140 . 0 0 "[ . 1 .]" 1
482 1 41 GLY QA 1 44 ARG QG 0.000 . 6.000 3.346 2.353 4.034 . 0 0 "[ . 1 .]" 1
483 1 41 GLY QA 1 42 LYS HA 0.000 . 5.500 4.055 4.024 4.107 . 0 0 "[ . 1 .]" 1
484 1 42 LYS HA 1 45 MET QB 0.000 . 4.500 2.937 2.609 3.795 . 0 0 "[ . 1 .]" 1
485 1 42 LYS HA 1 43 LEU HA 0.000 . 5.000 4.731 4.659 4.767 . 0 0 "[ . 1 .]" 1
486 1 43 LEU HA 1 46 ASN QB 0.000 . 3.500 2.606 2.288 2.928 . 0 0 "[ . 1 .]" 1
487 1 43 LEU HA 1 43 LEU HG 0.000 . 3.500 3.189 2.175 3.609 0.109 13 0 "[ . 1 .]" 1
488 1 43 LEU HA 1 43 LEU MD1 0.000 . 4.500 3.460 3.109 3.749 . 0 0 "[ . 1 .]" 1
489 1 43 LEU HA 1 44 ARG HA 0.000 . 5.000 4.715 4.647 4.805 . 0 0 "[ . 1 .]" 1
490 1 44 ARG HA 1 45 MET HA 0.000 . 5.000 4.744 4.623 4.835 . 0 0 "[ . 1 .]" 1
491 1 44 ARG HA 1 44 ARG QG 0.000 . 3.500 2.401 2.115 3.309 . 0 0 "[ . 1 .]" 1
492 1 44 ARG HA 1 44 ARG QD 0.000 . 5.000 3.108 2.079 4.029 . 0 0 "[ . 1 .]" 1
493 1 45 MET HA 1 46 ASN HA 0.000 . 5.000 4.721 4.620 4.824 . 0 0 "[ . 1 .]" 1
494 1 45 MET HA 1 45 MET ME 0.000 . 5.000 3.622 2.653 4.171 . 0 0 "[ . 1 .]" 1
495 1 46 ASN QB 1 48 ILE MD 0.000 . 4.500 2.394 1.713 3.090 . 0 0 "[ . 1 .]" 1
496 1 47 PHE HA 1 48 ILE HA 0.000 . 5.000 4.444 4.353 4.569 . 0 0 "[ . 1 .]" 1
497 1 48 ILE HA 1 48 ILE HB 0.000 . 3.000 3.038 3.005 3.055 0.055 3 0 "[ . 1 .]" 1
498 1 48 ILE HA 1 48 ILE QG 0.000 . 3.500 2.611 2.169 3.101 . 0 0 "[ . 1 .]" 1
499 1 50 ILE HA 1 50 ILE HB 0.000 . 3.000 2.993 2.597 3.056 0.056 13 0 "[ . 1 .]" 1
500 1 50 ILE HA 1 50 ILE QG 0.000 . 3.800 2.459 2.136 3.096 . 0 0 "[ . 1 .]" 1
501 1 50 ILE HB 1 51 LEU QD 0.000 . 7.500 4.971 4.410 5.591 . 0 0 "[ . 1 .]" 1
502 1 51 LEU HA 1 51 LEU HG 0.000 . 3.500 2.785 2.305 3.661 0.161 7 0 "[ . 1 .]" 1
503 1 51 LEU HA 1 51 LEU MD2 0.000 . 4.500 3.012 2.137 3.795 . 0 0 "[ . 1 .]" 1
504 1 16 VAL HB 1 52 GLU HA 0.000 . 2.500 2.363 2.201 2.629 0.129 4 0 "[ . 1 .]" 1
505 1 16 VAL MG1 1 52 GLU HA 0.000 . 4.500 2.422 1.946 2.889 . 0 0 "[ . 1 .]" 1
506 1 16 VAL MG2 1 52 GLU HA 0.000 . 5.500 3.562 3.290 3.808 . 0 0 "[ . 1 .]" 1
507 1 51 LEU HA 1 52 GLU HA 0.000 . 4.500 4.326 4.294 4.353 . 0 0 "[ . 1 .]" 1
508 1 15 THR MG 1 53 GLY QA 0.000 . 4.500 2.678 2.289 3.036 . 0 0 "[ . 1 .]" 1
509 1 53 GLY QA 1 54 ASP HA 0.000 . 5.500 4.041 4.016 4.082 . 0 0 "[ . 1 .]" 1
510 1 52 GLU HA 1 53 GLY QA 0.000 . 5.500 4.026 4.009 4.037 . 0 0 "[ . 1 .]" 1
511 1 54 ASP HA 1 55 LYS QB 0.000 . 5.500 4.409 4.054 4.695 . 0 0 "[ . 1 .]" 1
512 1 16 VAL HB 1 54 ASP QB 0.000 . 5.000 3.847 3.487 4.225 . 0 0 "[ . 1 .]" 1
513 1 15 THR HB 1 55 LYS HA 0.000 . 5.000 4.753 4.576 4.950 . 0 0 "[ . 1 .]" 1
514 1 15 THR MG 1 55 LYS HA 0.000 . 6.000 2.902 2.254 3.536 . 0 0 "[ . 1 .]" 1
515 1 55 LYS HA 1 55 LYS QG 0.000 . 3.800 2.426 2.109 3.352 . 0 0 "[ . 1 .]" 1
516 1 55 LYS HA 1 56 VAL HA 0.000 . 4.500 4.401 4.377 4.450 . 0 0 "[ . 1 .]" 1
517 1 55 LYS HA 1 56 VAL QG 0.000 . 6.500 2.897 2.860 2.956 . 0 0 "[ . 1 .]" 1
518 1 55 LYS HA 1 56 VAL HB 0.000 . 5.000 5.434 5.411 5.452 0.452 1 0 "[ . 1 .]" 1
519 1 56 VAL HA 1 73 ARG HA 0.000 . 2.300 2.365 2.313 2.422 0.122 2 0 "[ . 1 .]" 1
520 1 56 VAL HA 1 73 ARG QB 0.000 . 5.500 3.960 3.416 4.418 . 0 0 "[ . 1 .]" 1
521 1 56 VAL HA 1 56 VAL HB 0.000 . 3.000 2.486 2.427 2.533 . 0 0 "[ . 1 .]" 1
522 1 56 VAL HA 1 57 ASN HA 0.000 . 4.500 4.375 4.353 4.411 . 0 0 "[ . 1 .]" 1
523 1 56 VAL HB 1 70 ILE MG 0.000 . 4.500 2.128 1.927 2.569 . 0 0 "[ . 1 .]" 1
524 1 56 VAL HB 1 70 ILE MD 0.000 . 5.000 2.857 1.933 3.869 . 0 0 "[ . 1 .]" 1
525 1 56 VAL HB 1 70 ILE HB 0.000 . 5.000 4.676 4.151 5.004 0.004 3 0 "[ . 1 .]" 1
526 1 56 VAL HB 1 58 VAL MG2 0.000 . 6.000 4.065 3.777 4.380 . 0 0 "[ . 1 .]" 1
527 1 56 VAL MG2 1 58 VAL MG2 0.000 . 7.000 2.275 2.100 2.435 . 0 0 "[ . 1 .]" 1
528 1 56 VAL MG1 1 70 ILE MG 0.000 . 7.500 2.405 2.164 2.804 . 0 0 "[ . 1 .]" 1
529 1 13 GLU QG 1 57 ASN HA 0.000 . 4.000 3.229 2.889 3.469 . 0 0 "[ . 1 .]" 1
530 1 57 ASN HA 1 70 ILE MD 0.000 . 6.500 4.893 4.291 5.571 . 0 0 "[ . 1 .]" 1
531 1 57 ASN HA 1 58 VAL MG2 0.000 . 5.500 3.416 3.144 3.670 . 0 0 "[ . 1 .]" 1
532 1 57 ASN HA 1 58 VAL HA 0.000 . 4.500 4.394 4.372 4.410 . 0 0 "[ . 1 .]" 1
533 1 57 ASN QB 1 72 TRP QB 0.000 . 6.500 3.012 2.732 3.787 . 0 0 "[ . 1 .]" 1
534 1 58 VAL HA 1 70 ILE HA 0.000 . 3.000 3.107 2.937 3.183 0.183 10 0 "[ . 1 .]" 1
535 1 58 VAL HA 1 58 VAL HB 0.000 . 3.000 3.040 3.024 3.050 0.050 3 0 "[ . 1 .]" 1
536 1 58 VAL HA 1 70 ILE QG 0.000 . 5.500 4.091 2.827 4.795 . 0 0 "[ . 1 .]" 1
537 1 58 VAL HB 1 60 LEU HG 0.000 . 4.000 3.987 3.722 4.102 0.102 11 0 "[ . 1 .]" 1
538 1 58 VAL HB 1 60 LEU MD2 0.000 . 6.000 3.911 3.382 4.477 . 0 0 "[ . 1 .]" 1
539 1 58 VAL HB 1 60 LEU MD1 0.000 . 6.500 4.292 3.669 4.587 . 0 0 "[ . 1 .]" 1
540 1 58 VAL MG1 1 60 LEU MD2 0.000 . 6.000 2.473 2.094 3.250 . 0 0 "[ . 1 .]" 1
541 1 58 VAL MG1 1 60 LEU MD1 0.000 . 7.500 3.787 3.199 4.301 . 0 0 "[ . 1 .]" 1
542 1 11 GLU QB 1 59 GLU HA 0.000 . 6.000 4.225 3.314 4.831 . 0 0 "[ . 1 .]" 1
543 1 11 GLU QG 1 59 GLU HA 0.000 . 5.500 4.020 3.371 4.994 . 0 0 "[ . 1 .]" 1
544 1 59 GLU HA 1 59 GLU QG 0.000 . 3.500 2.383 2.134 3.178 . 0 0 "[ . 1 .]" 1
545 1 59 GLU HA 1 60 LEU HA 0.000 . 4.500 4.430 4.406 4.462 . 0 0 "[ . 1 .]" 1
546 1 58 VAL MG1 1 59 GLU HA 0.000 . 6.000 3.975 3.750 4.231 . 0 0 "[ . 1 .]" 1
547 1 60 LEU HA 1 68 GLY QA 0.000 . 3.500 2.201 2.102 2.284 . 0 0 "[ . 1 .]" 1
548 1 60 LEU HA 1 60 LEU HG 0.000 . 3.000 2.893 2.693 3.044 0.044 1 0 "[ . 1 .]" 1
549 1 60 LEU HA 1 60 LEU MD2 0.000 . 4.500 2.278 2.149 2.487 . 0 0 "[ . 1 .]" 1
550 1 60 LEU HA 1 61 SER HA 0.000 . 4.500 4.369 4.331 4.390 . 0 0 "[ . 1 .]" 1
551 1 10 ILE HA 1 60 LEU QB 0.000 . 6.000 4.892 4.594 5.067 . 0 0 "[ . 1 .]" 1
552 1 61 SER HA 1 62 PRO QB 0.000 . 6.000 4.758 4.733 4.774 . 0 0 "[ . 1 .]" 1
553 1 61 SER HA 1 62 PRO QD 0.000 . 4.000 1.932 1.920 1.944 . 0 0 "[ . 1 .]" 1
554 1 62 PRO HA 1 65 LEU MD2 0.000 . 5.000 3.082 2.378 3.998 . 0 0 "[ . 1 .]" 1
555 1 65 LEU HA 1 65 LEU HG 0.000 . 3.000 2.613 2.406 2.887 . 0 0 "[ . 1 .]" 1
556 1 65 LEU HA 1 65 LEU MD2 0.000 . 4.500 2.470 2.140 3.217 . 0 0 "[ . 1 .]" 1
557 1 66 THR HA 1 66 THR HB 0.000 . 3.000 2.894 2.621 3.076 0.076 3 0 "[ . 1 .]" 1
558 1 35 ILE MG 1 66 THR HA 0.000 . 5.500 3.417 2.585 3.925 . 0 0 "[ . 1 .]" 1
559 1 35 ILE MG 1 67 ARG HA 0.000 . 6.000 2.300 2.068 2.565 . 0 0 "[ . 1 .]" 1
560 1 36 LEU QB 1 67 ARG HA 0.000 . 4.000 2.885 2.445 3.222 . 0 0 "[ . 1 .]" 1
561 1 67 ARG HA 1 67 ARG QG 0.000 . 4.000 2.393 2.110 2.653 . 0 0 "[ . 1 .]" 1
562 1 67 ARG HA 1 67 ARG HE 0.000 . 6.000 4.842 4.390 5.361 . 0 0 "[ . 1 .]" 1
563 1 58 VAL MG1 1 68 GLY QA 0.000 . 6.500 2.396 2.181 2.605 . 0 0 "[ . 1 .]" 1
564 1 67 ARG QB 1 68 GLY QA 0.000 . 6.500 3.859 3.680 4.391 . 0 0 "[ . 1 .]" 1
565 1 35 ILE HB 1 68 GLY QA 0.000 . 6.000 5.068 4.253 5.219 . 0 0 "[ . 1 .]" 1
566 1 35 ILE MG 1 68 GLY QA 0.000 . 6.500 3.364 3.119 3.789 . 0 0 "[ . 1 .]" 1
567 1 60 LEU MD2 1 68 GLY QA 0.000 . 6.000 2.319 2.105 2.734 . 0 0 "[ . 1 .]" 1
568 1 39 ILE HA 1 69 ARG HA 0.000 . 5.000 4.924 4.791 5.025 0.025 11 0 "[ . 1 .]" 1
569 1 38 HIS QB 1 69 ARG HA 0.000 . 5.000 3.628 3.198 4.324 . 0 0 "[ . 1 .]" 1
570 1 37 CYS QB 1 69 ARG HA 0.000 . 5.000 2.428 2.182 2.930 . 0 0 "[ . 1 .]" 1
571 1 69 ARG HA 1 70 ILE QG 0.000 . 5.500 3.866 3.371 5.106 . 0 0 "[ . 1 .]" 1
572 1 69 ARG HA 1 70 ILE HB 0.000 . 5.000 4.591 4.135 4.846 . 0 0 "[ . 1 .]" 1
573 1 70 ILE HA 1 70 ILE HB 0.000 . 2.900 3.051 3.008 3.072 0.172 3 0 "[ . 1 .]" 1
574 1 70 ILE HA 1 70 ILE QG 0.000 . 3.900 2.793 2.173 3.126 . 0 0 "[ . 1 .]" 1
575 1 56 VAL HB 1 70 ILE HA 0.000 . 3.900 4.052 3.999 4.147 0.247 11 0 "[ . 1 .]" 1
576 1 39 ILE HA 1 70 ILE HB 0.000 . 3.500 3.284 2.668 3.501 0.001 7 0 "[ . 1 .]" 1
577 1 39 ILE QG 1 70 ILE HB 0.000 . 3.500 3.356 3.221 3.465 . 0 0 "[ . 1 .]" 1
578 1 25 PHE QD 1 70 ILE MD 0.000 . 7.500 3.959 3.321 4.631 . 0 0 "[ . 1 .]" 1
579 1 25 PHE HE1 1 70 ILE MD 0.000 . 5.000 3.464 2.109 4.391 . 0 0 "[ . 1 .]" 1
580 1 56 VAL MG2 1 70 ILE MD 0.000 . 6.000 1.986 1.691 2.495 . 0 0 "[ . 1 .]" 1
581 1 56 VAL MG1 1 70 ILE MD 0.000 . 5.500 3.397 2.074 4.087 . 0 0 "[ . 1 .]" 1
582 1 16 VAL MG2 1 70 ILE MD 0.000 . 7.000 3.398 2.718 4.224 . 0 0 "[ . 1 .]" 1
583 1 71 THR HA 1 71 THR HB 0.000 . 2.500 2.540 2.334 2.748 0.248 9 0 "[ . 1 .]" 1
584 1 70 ILE MD 1 71 THR HA 0.000 . 7.000 5.743 5.591 5.981 . 0 0 "[ . 1 .]" 1
585 1 69 ARG QB 1 71 THR MG 0.000 . 6.500 2.990 2.463 3.609 . 0 0 "[ . 1 .]" 1
586 1 69 ARG QG 1 71 THR MG 0.000 . 5.500 2.959 2.194 4.246 . 0 0 "[ . 1 .]" 1
587 1 69 ARG QD 1 71 THR MG 0.000 . 5.500 3.164 2.263 3.867 . 0 0 "[ . 1 .]" 1
588 1 70 ILE MG 1 72 TRP HA 0.000 . 6.500 4.277 3.907 4.801 . 0 0 "[ . 1 .]" 1
589 1 71 THR HA 1 72 TRP QB 0.000 . 6.000 4.989 4.894 5.166 . 0 0 "[ . 1 .]" 1
590 1 73 ARG HA 1 73 ARG QG 0.000 . 3.500 2.975 2.176 3.324 . 0 0 "[ . 1 .]" 1
591 1 73 ARG HA 1 73 ARG QD 0.000 . 5.000 3.957 2.129 4.587 . 0 0 "[ . 1 .]" 1
592 1 74 LYS HA 1 74 LYS QG 0.000 . 3.500 2.372 2.183 2.896 . 0 0 "[ . 1 .]" 1
593 1 74 LYS HA 1 74 LYS QD 0.000 . 4.000 2.921 2.163 3.709 . 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 29
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 153.290
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0496
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0235
_Distance_constraint_stats_list.Viol_average_violations_only 0.0873
_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 10 ILE 1.633 0.233 12 0 "[ . 1 .]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 15 THR 0.164 0.054 5 0 "[ . 1 .]"
1 16 VAL 0.483 0.078 13 0 "[ . 1 .]"
1 17 SER 0.000 0.000 . 0 "[ . 1 .]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 23 ALA 0.989 0.135 4 0 "[ . 1 .]"
1 24 MET 0.000 0.000 . 0 "[ . 1 .]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 28 LYS 0.164 0.054 5 0 "[ . 1 .]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 37 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 38 HIS 1.457 0.182 2 0 "[ . 1 .]"
1 39 ILE 0.989 0.135 4 0 "[ . 1 .]"
1 41 GLY 0.863 0.136 9 0 "[ . 1 .]"
1 42 LYS 0.415 0.090 10 0 "[ . 1 .]"
1 45 MET 0.863 0.136 9 0 "[ . 1 .]"
1 46 ASN 0.415 0.090 10 0 "[ . 1 .]"
1 53 GLY 0.453 0.078 13 0 "[ . 1 .]"
1 54 ASP 0.030 0.022 10 0 "[ . 1 .]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 59 GLU 1.510 0.166 2 0 "[ . 1 .]"
1 60 LEU 1.633 0.233 12 0 "[ . 1 .]"
1 61 SER 2.706 0.279 13 0 "[ . 1 .]"
1 67 ARG 2.706 0.279 13 0 "[ . 1 .]"
1 68 GLY 1.319 0.182 2 0 "[ . 1 .]"
1 69 ARG 1.510 0.166 2 0 "[ . 1 .]"
1 70 ILE 0.138 0.062 12 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 41 GLY O 1 45 MET N 0.000 . 3.300 3.166 2.801 3.340 0.040 9 0 "[ . 1 .]" 2
2 1 41 GLY O 1 45 MET H 0.000 . 2.300 2.342 2.143 2.436 0.136 9 0 "[ . 1 .]" 2
3 1 42 LYS O 1 46 ASN N 0.000 . 3.300 3.099 2.650 3.291 . 0 0 "[ . 1 .]" 2
4 1 42 LYS O 1 46 ASN H 0.000 . 2.300 2.209 1.747 2.390 0.090 10 0 "[ . 1 .]" 2
5 1 10 ILE O 1 60 LEU H 0.000 . 2.300 2.106 1.666 2.341 0.041 6 0 "[ . 1 .]" 2
6 1 10 ILE H 1 60 LEU O 0.000 . 2.300 2.401 2.264 2.533 0.233 12 0 "[ . 1 .]" 2
7 1 12 LEU O 1 58 VAL H 0.000 . 2.300 1.657 1.542 1.855 . 0 0 "[ . 1 .]" 2
8 1 12 LEU H 1 58 VAL O 0.000 . 2.300 1.913 1.688 2.218 . 0 0 "[ . 1 .]" 2
9 1 14 GLY O 1 56 VAL H 0.000 . 2.300 1.862 1.709 2.190 . 0 0 "[ . 1 .]" 2
10 1 14 GLY H 1 56 VAL O 0.000 . 2.300 1.803 1.683 1.900 . 0 0 "[ . 1 .]" 2
11 1 15 THR O 1 28 LYS H 0.000 . 2.300 1.734 1.539 1.963 . 0 0 "[ . 1 .]" 2
12 1 15 THR H 1 28 LYS O 0.000 . 2.300 2.134 1.750 2.354 0.054 5 0 "[ . 1 .]" 2
13 1 16 VAL O 1 53 GLY H 0.000 . 2.000 1.953 1.604 2.078 0.078 13 0 "[ . 1 .]" 2
14 1 16 VAL H 1 54 ASP O 0.000 . 2.300 2.127 1.881 2.322 0.022 10 0 "[ . 1 .]" 2
15 1 17 SER H 1 26 LYS O 0.000 . 2.300 1.672 1.524 1.912 . 0 0 "[ . 1 .]" 2
16 1 18 GLU O 1 26 LYS H 0.000 . 2.300 1.837 1.596 2.092 . 0 0 "[ . 1 .]" 2
17 1 20 LEU H 1 24 MET O 0.000 . 2.300 1.990 1.667 2.254 . 0 0 "[ . 1 .]" 2
18 1 23 ALA O 1 39 ILE H 0.000 . 2.500 2.560 2.411 2.635 0.135 4 0 "[ . 1 .]" 2
19 1 25 PHE H 1 37 CYS O 0.000 . 2.300 2.092 1.887 2.284 . 0 0 "[ . 1 .]" 2
20 1 25 PHE O 1 37 CYS H 0.000 . 3.300 2.105 1.923 2.220 . 0 0 "[ . 1 .]" 2
21 1 27 VAL H 1 35 ILE O 0.000 . 2.300 2.012 1.849 2.180 . 0 0 "[ . 1 .]" 2
22 1 27 VAL O 1 35 ILE H 0.000 . 2.300 1.883 1.608 2.054 . 0 0 "[ . 1 .]" 2
23 1 29 LEU H 1 33 HIS O 0.000 . 2.300 1.994 1.539 2.182 . 0 0 "[ . 1 .]" 2
24 1 36 LEU O 1 68 GLY H 0.000 . 3.300 1.788 1.623 2.025 . 0 0 "[ . 1 .]" 2
25 1 38 HIS O 1 70 ILE H 0.000 . 2.300 2.045 1.542 2.362 0.062 12 0 "[ . 1 .]" 2
26 1 38 HIS H 1 68 GLY O 0.000 . 2.300 2.376 2.117 2.482 0.182 2 0 "[ . 1 .]" 2
27 1 59 GLU H 1 69 ARG O 0.000 . 2.300 2.141 1.941 2.314 0.014 4 0 "[ . 1 .]" 2
28 1 59 GLU O 1 69 ARG H 0.000 . 2.300 2.399 2.340 2.466 0.166 2 0 "[ . 1 .]" 2
29 1 61 SER H 1 67 ARG O 0.000 . 2.300 2.480 2.381 2.579 0.279 13 0 "[ . 1 .]" 2
stop_
save_
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