NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390903 |
1ovq   |
5758 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ovq
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 848
_Distance_constraint_stats_list.Viol_count 943
_Distance_constraint_stats_list.Viol_total 2395.445
_Distance_constraint_stats_list.Viol_max 0.467
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.1016
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.172 0.064 10 0 "[ . 1 . 2 .]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 GLY 4.796 0.315 22 0 "[ . 1 . 2 .]"
1 4 THR 9.974 0.315 22 0 "[ . 1 . 2 .]"
1 5 LEU 2.582 0.175 19 0 "[ . 1 . 2 .]"
1 6 LEU 5.865 0.202 2 0 "[ . 1 . 2 .]"
1 7 ALA 6.247 0.231 23 0 "[ . 1 . 2 .]"
1 8 PHE 0.276 0.075 22 0 "[ . 1 . 2 .]"
1 9 ASP 0.783 0.140 5 0 "[ . 1 . 2 .]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 SER 4.562 0.235 22 0 "[ . 1 . 2 .]"
1 15 ILE 2.348 0.134 2 0 "[ . 1 . 2 .]"
1 16 GLY 0.683 0.140 5 0 "[ . 1 . 2 .]"
1 17 VAL 6.768 0.208 5 0 "[ . 1 . 2 .]"
1 18 ALA 0.199 0.047 14 0 "[ . 1 . 2 .]"
1 19 VAL 7.498 0.292 14 0 "[ . 1 . 2 .]"
1 20 GLY 5.582 0.292 14 0 "[ . 1 . 2 .]"
1 21 GLN 1.380 0.121 3 0 "[ . 1 . 2 .]"
1 22 ARG 0.395 0.048 9 0 "[ . 1 . 2 .]"
1 23 ILE 0.800 0.138 9 0 "[ . 1 . 2 .]"
1 24 THR 0.043 0.012 21 0 "[ . 1 . 2 .]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 THR 9.058 0.337 21 0 "[ . 1 . 2 .]"
1 27 ALA 1.261 0.121 3 0 "[ . 1 . 2 .]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 PRO 0.002 0.001 12 0 "[ . 1 . 2 .]"
1 30 LEU 4.525 0.208 5 0 "[ . 1 . 2 .]"
1 32 ALA 1.401 0.103 3 0 "[ . 1 . 2 .]"
1 33 ILE 3.800 0.235 22 0 "[ . 1 . 2 .]"
1 34 LYS 3.495 0.193 4 0 "[ . 1 . 2 .]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 GLN 1.372 0.100 1 0 "[ . 1 . 2 .]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 THR 1.372 0.100 1 0 "[ . 1 . 2 .]"
1 41 ASP 7.494 0.239 6 0 "[ . 1 . 2 .]"
1 42 TRP 3.327 0.127 21 0 "[ . 1 . 2 .]"
1 43 ASN 5.507 0.239 6 0 "[ . 1 . 2 .]"
1 44 ILE 1.485 0.467 19 0 "[ . 1 . 2 .]"
1 45 ILE 1.078 0.158 2 0 "[ . 1 . 2 .]"
1 46 GLU 0.733 0.114 2 0 "[ . 1 . 2 .]"
1 47 ARG 0.055 0.028 1 0 "[ . 1 . 2 .]"
1 48 LEU 2.158 0.186 2 0 "[ . 1 . 2 .]"
1 49 LEU 0.431 0.158 2 0 "[ . 1 . 2 .]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 GLU 0.048 0.014 4 0 "[ . 1 . 2 .]"
1 52 TRP 0.809 0.075 9 0 "[ . 1 . 2 .]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 PRO 0.054 0.027 1 0 "[ . 1 . 2 .]"
1 55 ASP 5.520 0.269 21 0 "[ . 1 . 2 .]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 ILE 0.052 0.026 9 0 "[ . 1 . 2 .]"
1 58 ILE 6.456 0.298 6 0 "[ . 1 . 2 .]"
1 59 VAL 0.912 0.113 6 0 "[ . 1 . 2 .]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 LEU 0.423 0.141 19 0 "[ . 1 . 2 .]"
1 63 LEU 0.004 0.002 2 0 "[ . 1 . 2 .]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 70 GLN 0.382 0.104 5 0 "[ . 1 . 2 .]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 72 LEU 0.382 0.104 5 0 "[ . 1 . 2 .]"
1 73 THR 0.347 0.064 23 0 "[ . 1 . 2 .]"
1 74 ALA 1.168 0.115 5 0 "[ . 1 . 2 .]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 ALA 0.491 0.141 19 0 "[ . 1 . 2 .]"
1 77 ARG 3.002 0.136 4 0 "[ . 1 . 2 .]"
1 78 LYS 3.211 0.160 9 0 "[ . 1 . 2 .]"
1 79 PHE 1.835 0.136 4 0 "[ . 1 . 2 .]"
1 80 ALA 0.115 0.113 6 0 "[ . 1 . 2 .]"
1 81 ASN 3.211 0.160 9 0 "[ . 1 . 2 .]"
1 82 ARG 0.008 0.004 19 0 "[ . 1 . 2 .]"
1 83 ILE 0.002 0.001 13 0 "[ . 1 . 2 .]"
1 84 HIS 0.228 0.040 13 0 "[ . 1 . 2 .]"
1 85 GLY 0.008 0.004 19 0 "[ . 1 . 2 .]"
1 86 ARG 1.641 0.133 13 0 "[ . 1 . 2 .]"
1 87 PHE 0.080 0.029 5 0 "[ . 1 . 2 .]"
1 88 GLY 0.134 0.040 13 0 "[ . 1 . 2 .]"
1 89 VAL 1.773 0.133 13 0 "[ . 1 . 2 .]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 91 VAL 3.240 0.195 4 0 "[ . 1 . 2 .]"
1 92 LYS 2.941 0.195 4 0 "[ . 1 . 2 .]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 94 HIS 0.527 0.075 19 0 "[ . 1 . 2 .]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 96 GLU 0.566 0.124 21 0 "[ . 1 . 2 .]"
1 97 ARG 0.566 0.124 21 0 "[ . 1 . 2 .]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 101 VAL 0.247 0.247 5 0 "[ . 1 . 2 .]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 124 ALA 0.226 0.057 21 0 "[ . 1 . 2 .]"
1 125 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 126 ALA 6.268 0.276 12 0 "[ . 1 . 2 .]"
1 127 VAL 3.137 0.220 5 0 "[ . 1 . 2 .]"
1 128 ILE 0.384 0.142 3 0 "[ . 1 . 2 .]"
1 129 ILE 5.725 0.276 12 0 "[ . 1 . 2 .]"
1 130 LEU 4.881 0.231 23 0 "[ . 1 . 2 .]"
1 131 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 132 SER 0.135 0.135 2 0 "[ . 1 . 2 .]"
1 133 TYR 0.330 0.060 13 0 "[ . 1 . 2 .]"
1 134 PHE 0.105 0.036 5 0 "[ . 1 . 2 .]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 136 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 137 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 138 TYR 0.130 0.063 13 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 SER H 1.800 . 4.000 2.608 2.211 3.590 . 0 0 "[ . 1 . 2 .]" 1
2 1 3 GLY QA 1 4 THR H 1.800 . 4.060 2.372 2.265 2.699 . 0 0 "[ . 1 . 2 .]" 1
3 1 3 GLY H 1 4 THR H 1.800 . 3.000 3.176 3.090 3.315 0.315 22 0 "[ . 1 . 2 .]" 1
4 1 4 THR H 1 4 THR HB 1.800 . 3.000 2.714 2.485 2.839 . 0 0 "[ . 1 . 2 .]" 1
5 1 4 THR H 1 4 THR MG 1.800 . 5.200 3.875 3.724 3.955 . 0 0 "[ . 1 . 2 .]" 1
6 1 4 THR HA 1 5 LEU H 1.800 . 3.000 2.182 2.117 2.256 . 0 0 "[ . 1 . 2 .]" 1
7 1 4 THR HB 1 5 LEU H 1.800 . 5.000 4.178 4.018 4.353 . 0 0 "[ . 1 . 2 .]" 1
8 1 4 THR H 1 5 LEU H 1.800 . 5.000 4.353 4.276 4.492 . 0 0 "[ . 1 . 2 .]" 1
9 1 5 LEU H 1 5 LEU QB 1.800 . 4.060 2.355 2.203 2.547 . 0 0 "[ . 1 . 2 .]" 1
10 1 5 LEU H 1 5 LEU MD1 1.800 . 5.200 3.450 1.812 3.965 . 0 0 "[ . 1 . 2 .]" 1
11 1 5 LEU HA 1 6 LEU H 1.800 . 3.000 2.318 2.250 2.440 . 0 0 "[ . 1 . 2 .]" 1
12 1 6 LEU H 1 6 LEU QB 1.800 . 5.180 2.437 2.214 2.630 . 0 0 "[ . 1 . 2 .]" 1
13 1 6 LEU HA 1 7 ALA H 1.800 . 3.000 2.226 2.151 2.359 . 0 0 "[ . 1 . 2 .]" 1
14 1 6 LEU HG 1 7 ALA H 1.800 . 4.000 3.565 3.041 4.202 0.202 2 0 "[ . 1 . 2 .]" 1
15 1 6 LEU H 1 7 ALA H 1.800 . 5.000 4.383 4.273 4.515 . 0 0 "[ . 1 . 2 .]" 1
16 1 7 ALA H 1 7 ALA MB 1.800 . 4.060 2.379 2.222 2.662 . 0 0 "[ . 1 . 2 .]" 1
17 1 7 ALA HA 1 8 PHE H 1.800 . 3.000 2.218 2.189 2.253 . 0 0 "[ . 1 . 2 .]" 1
18 1 7 ALA H 1 8 PHE H 1.800 . 5.000 4.314 4.087 4.426 . 0 0 "[ . 1 . 2 .]" 1
19 1 8 PHE H 1 8 PHE QD 1.800 . 6.300 2.341 1.883 4.267 . 0 0 "[ . 1 . 2 .]" 1
20 1 8 PHE HA 1 9 ASP H 1.800 . 3.000 2.220 2.172 2.284 . 0 0 "[ . 1 . 2 .]" 1
21 1 8 PHE QD 1 9 ASP H 1.800 . 6.300 4.218 2.674 4.631 . 0 0 "[ . 1 . 2 .]" 1
22 1 9 ASP HA 1 10 PHE H 1.800 . 3.000 2.329 2.275 2.381 . 0 0 "[ . 1 . 2 .]" 1
23 1 9 ASP QB 1 10 PHE H 1.800 . 6.300 4.028 3.931 4.071 . 0 0 "[ . 1 . 2 .]" 1
24 1 10 PHE H 1 10 PHE QD 1.800 . 6.300 3.071 1.940 4.112 . 0 0 "[ . 1 . 2 .]" 1
25 1 10 PHE H 1 11 GLY QA 1.800 . 6.300 4.621 4.446 4.984 . 0 0 "[ . 1 . 2 .]" 1
26 1 10 PHE HA 1 11 GLY H 1.800 . 3.000 2.574 2.108 2.823 . 0 0 "[ . 1 . 2 .]" 1
27 1 10 PHE QD 1 11 GLY H 1.800 . 6.300 2.161 1.822 3.813 . 0 0 "[ . 1 . 2 .]" 1
28 1 11 GLY QA 1 12 THR H 1.800 . 4.060 2.276 2.180 2.385 . 0 0 "[ . 1 . 2 .]" 1
29 1 12 THR H 1 12 THR HB 1.800 . 4.000 3.519 2.460 4.000 . 0 0 "[ . 1 . 2 .]" 1
30 1 12 THR H 1 12 THR MG 1.800 . 4.000 2.244 1.943 2.836 . 0 0 "[ . 1 . 2 .]" 1
31 1 11 GLY H 1 15 ILE HA 1.800 . 5.000 4.401 4.272 4.607 . 0 0 "[ . 1 . 2 .]" 1
32 1 11 GLY H 1 15 ILE MD 1.800 . 5.200 4.221 4.133 4.284 . 0 0 "[ . 1 . 2 .]" 1
33 1 14 SER HA 1 15 ILE H 1.800 . 3.000 2.234 2.181 2.312 . 0 0 "[ . 1 . 2 .]" 1
34 1 14 SER QB 1 15 ILE H 1.800 . 5.180 3.383 3.088 3.638 . 0 0 "[ . 1 . 2 .]" 1
35 1 14 SER H 1 15 ILE H 1.800 . 5.000 4.316 4.177 4.483 . 0 0 "[ . 1 . 2 .]" 1
36 1 15 ILE H 1 15 ILE HB 1.800 . 4.000 2.528 2.414 2.599 . 0 0 "[ . 1 . 2 .]" 1
37 1 15 ILE H 1 15 ILE MD 1.800 . 6.400 3.755 3.534 3.912 . 0 0 "[ . 1 . 2 .]" 1
38 1 15 ILE H 1 15 ILE MG 1.800 . 5.200 3.835 3.781 3.857 . 0 0 "[ . 1 . 2 .]" 1
39 1 9 ASP QB 1 16 GLY H 1.800 . 5.180 3.935 2.943 4.366 . 0 0 "[ . 1 . 2 .]" 1
40 1 9 ASP H 1 16 GLY H 1.800 . 4.000 3.892 3.550 4.140 0.140 5 0 "[ . 1 . 2 .]" 1
41 1 15 ILE HA 1 16 GLY H 1.800 . 3.000 2.313 2.270 2.357 . 0 0 "[ . 1 . 2 .]" 1
42 1 9 ASP H 1 17 VAL HA 1.800 . 5.000 2.201 1.975 2.409 . 0 0 "[ . 1 . 2 .]" 1
43 1 16 GLY QA 1 17 VAL H 1.800 . 5.180 2.294 2.282 2.310 . 0 0 "[ . 1 . 2 .]" 1
44 1 17 VAL H 1 17 VAL MG1 1.800 . 6.400 2.755 1.891 3.862 . 0 0 "[ . 1 . 2 .]" 1
45 1 17 VAL H 1 17 VAL MG2 1.800 . 5.200 3.321 2.879 3.614 . 0 0 "[ . 1 . 2 .]" 1
46 1 7 ALA H 1 18 ALA H 1.800 . 4.000 3.758 3.444 4.047 0.047 14 0 "[ . 1 . 2 .]" 1
47 1 8 PHE HA 1 18 ALA H 1.800 . 5.000 2.768 2.410 3.155 . 0 0 "[ . 1 . 2 .]" 1
48 1 17 VAL HA 1 18 ALA H 1.800 . 3.000 2.372 2.298 2.435 . 0 0 "[ . 1 . 2 .]" 1
49 1 7 ALA H 1 19 VAL HA 1.800 . 4.000 3.110 2.596 3.373 . 0 0 "[ . 1 . 2 .]" 1
50 1 7 ALA H 1 19 VAL MG2 1.800 . 6.400 4.488 4.030 4.798 . 0 0 "[ . 1 . 2 .]" 1
51 1 18 ALA HA 1 19 VAL H 1.800 . 3.000 2.260 2.196 2.298 . 0 0 "[ . 1 . 2 .]" 1
52 1 4 THR MG 1 20 GLY H 1.800 . 5.200 4.255 4.180 4.334 . 0 0 "[ . 1 . 2 .]" 1
53 1 5 LEU H 1 20 GLY H 1.800 . 4.000 3.980 3.819 4.076 0.076 14 0 "[ . 1 . 2 .]" 1
54 1 7 ALA H 1 20 GLY H 1.800 . 5.000 3.538 3.348 4.039 . 0 0 "[ . 1 . 2 .]" 1
55 1 19 VAL HA 1 20 GLY H 1.800 . 3.000 2.310 2.229 2.376 . 0 0 "[ . 1 . 2 .]" 1
56 1 19 VAL HB 1 20 GLY H 1.800 . 4.000 4.198 4.097 4.292 0.292 14 0 "[ . 1 . 2 .]" 1
57 1 19 VAL MG1 1 20 GLY H 1.800 . 4.000 2.732 2.128 3.009 . 0 0 "[ . 1 . 2 .]" 1
58 1 5 LEU H 1 21 GLN HA 1.800 . 4.000 3.097 2.804 3.317 . 0 0 "[ . 1 . 2 .]" 1
59 1 19 VAL MG1 1 21 GLN H 1.800 . 6.400 4.789 4.397 5.164 . 0 0 "[ . 1 . 2 .]" 1
60 1 20 GLY QA 1 21 GLN H 1.800 . 4.060 2.125 2.088 2.161 . 0 0 "[ . 1 . 2 .]" 1
61 1 20 GLY H 1 21 GLN H 1.800 . 5.000 4.478 4.427 4.508 . 0 0 "[ . 1 . 2 .]" 1
62 1 21 GLN H 1 21 GLN HE21 1.800 . 4.000 3.423 2.900 4.091 0.091 12 0 "[ . 1 . 2 .]" 1
63 1 21 GLN H 1 21 GLN QG 1.800 . 5.180 3.371 1.905 4.025 . 0 0 "[ . 1 . 2 .]" 1
64 1 3 GLY H 1 22 ARG H 1.800 . 4.000 3.781 3.190 4.048 0.048 9 0 "[ . 1 . 2 .]" 1
65 1 20 GLY QA 1 22 ARG H 1.800 . 6.300 4.914 4.832 5.040 . 0 0 "[ . 1 . 2 .]" 1
66 1 21 GLN HA 1 22 ARG H 1.800 . 3.000 2.214 2.160 2.243 . 0 0 "[ . 1 . 2 .]" 1
67 1 21 GLN QB 1 22 ARG H 1.800 . 6.300 3.631 3.462 3.773 . 0 0 "[ . 1 . 2 .]" 1
68 1 21 GLN QG 1 22 ARG H 1.800 . 6.300 3.949 3.418 4.848 . 0 0 "[ . 1 . 2 .]" 1
69 1 21 GLN H 1 22 ARG H 1.800 . 5.000 4.326 4.219 4.442 . 0 0 "[ . 1 . 2 .]" 1
70 1 22 ARG H 1 22 ARG QG 1.800 . 5.180 3.463 2.197 4.004 . 0 0 "[ . 1 . 2 .]" 1
71 1 21 GLN QB 1 23 ILE H 1.800 . 6.300 2.791 2.591 3.065 . 0 0 "[ . 1 . 2 .]" 1
72 1 23 ILE H 1 23 ILE HB 1.800 . 4.000 2.986 2.128 3.729 . 0 0 "[ . 1 . 2 .]" 1
73 1 23 ILE H 1 23 ILE MD 1.800 . 4.000 3.351 3.076 3.536 . 0 0 "[ . 1 . 2 .]" 1
74 1 23 ILE HA 1 24 THR H 1.800 . 4.000 3.527 3.514 3.558 . 0 0 "[ . 1 . 2 .]" 1
75 1 23 ILE MG 1 24 THR H 1.800 . 4.360 2.214 1.861 3.583 . 0 0 "[ . 1 . 2 .]" 1
76 1 23 ILE H 1 24 THR H 1.800 . 4.000 1.899 1.819 2.040 . 0 0 "[ . 1 . 2 .]" 1
77 1 24 THR H 1 24 THR HB 1.800 . 4.000 3.020 2.397 3.523 . 0 0 "[ . 1 . 2 .]" 1
78 1 24 THR H 1 24 THR MG 1.800 . 5.200 3.562 3.231 3.828 . 0 0 "[ . 1 . 2 .]" 1
79 1 24 THR H 1 25 GLY H 1.800 . 4.000 1.937 1.870 1.983 . 0 0 "[ . 1 . 2 .]" 1
80 1 21 GLN H 1 26 THR H 1.800 . 5.000 3.252 2.917 3.539 . 0 0 "[ . 1 . 2 .]" 1
81 1 24 THR HB 1 26 THR H 1.800 . 4.000 3.644 3.212 4.012 0.012 21 0 "[ . 1 . 2 .]" 1
82 1 24 THR H 1 26 THR H 1.800 . 5.000 3.578 3.471 3.669 . 0 0 "[ . 1 . 2 .]" 1
83 1 25 GLY QA 1 26 THR H 1.800 . 5.180 2.823 2.806 2.841 . 0 0 "[ . 1 . 2 .]" 1
84 1 25 GLY H 1 26 THR H 1.800 . 3.000 2.384 2.303 2.452 . 0 0 "[ . 1 . 2 .]" 1
85 1 26 THR H 1 26 THR HA 1.800 . 3.000 2.991 2.987 2.995 . 0 0 "[ . 1 . 2 .]" 1
86 1 26 THR H 1 26 THR HB 1.800 . 3.000 3.281 3.251 3.337 0.337 21 0 "[ . 1 . 2 .]" 1
87 1 26 THR H 1 26 THR MG 1.800 . 4.000 3.469 3.433 3.502 . 0 0 "[ . 1 . 2 .]" 1
88 1 21 GLN H 1 27 ALA HA 1.800 . 3.000 3.037 2.934 3.121 0.121 3 0 "[ . 1 . 2 .]" 1
89 1 21 GLN H 1 27 ALA MB 1.800 . 5.180 4.195 3.830 4.432 . 0 0 "[ . 1 . 2 .]" 1
90 1 26 THR HA 1 27 ALA H 1.800 . 3.000 2.406 2.378 2.437 . 0 0 "[ . 1 . 2 .]" 1
91 1 26 THR HB 1 27 ALA H 1.800 . 3.000 2.957 2.897 3.003 0.003 3 0 "[ . 1 . 2 .]" 1
92 1 26 THR MG 1 27 ALA H 1.800 . 4.360 2.991 2.880 3.147 . 0 0 "[ . 1 . 2 .]" 1
93 1 27 ALA H 1 27 ALA MB 1.800 . 4.060 2.399 2.261 2.477 . 0 0 "[ . 1 . 2 .]" 1
94 1 19 VAL MG1 1 28 ARG H 1.800 . 5.200 3.790 3.379 4.347 . 0 0 "[ . 1 . 2 .]" 1
95 1 19 VAL H 1 28 ARG H 1.800 . 4.000 3.101 2.596 3.438 . 0 0 "[ . 1 . 2 .]" 1
96 1 20 GLY QA 1 28 ARG H 1.800 . 6.300 3.114 2.654 3.300 . 0 0 "[ . 1 . 2 .]" 1
97 1 21 GLN H 1 28 ARG H 1.800 . 5.000 4.332 3.944 4.624 . 0 0 "[ . 1 . 2 .]" 1
98 1 27 ALA HA 1 28 ARG H 1.800 . 3.000 2.189 2.118 2.276 . 0 0 "[ . 1 . 2 .]" 1
99 1 27 ALA MB 1 28 ARG H 1.800 . 4.060 3.157 2.594 3.322 . 0 0 "[ . 1 . 2 .]" 1
100 1 27 ALA H 1 28 ARG H 1.800 . 5.000 4.352 4.265 4.510 . 0 0 "[ . 1 . 2 .]" 1
101 1 28 ARG H 1 28 ARG HA 1.800 . 3.000 2.965 2.947 2.995 . 0 0 "[ . 1 . 2 .]" 1
102 1 28 ARG H 1 28 ARG QD 1.800 . 6.300 3.803 2.638 4.437 . 0 0 "[ . 1 . 2 .]" 1
103 1 19 VAL H 1 29 PRO HA 1.800 . 4.000 3.578 3.269 4.001 0.001 12 0 "[ . 1 . 2 .]" 1
104 1 17 VAL MG1 1 30 LEU H 1.800 . 5.200 4.128 3.829 4.195 . 0 0 "[ . 1 . 2 .]" 1
105 1 18 ALA HA 1 30 LEU H 1.800 . 4.000 2.658 2.439 2.973 . 0 0 "[ . 1 . 2 .]" 1
106 1 29 PRO HA 1 30 LEU H 1.800 . 3.000 2.217 2.198 2.246 . 0 0 "[ . 1 . 2 .]" 1
107 1 30 LEU H 1 30 LEU MD1 1.800 . 6.400 4.095 4.029 4.175 . 0 0 "[ . 1 . 2 .]" 1
108 1 17 VAL H 1 32 ALA HA 1.800 . 5.000 5.056 5.029 5.103 0.103 3 0 "[ . 1 . 2 .]" 1
109 1 32 ALA H 1 32 ALA MB 1.800 . 3.724 2.036 1.916 2.120 . 0 0 "[ . 1 . 2 .]" 1
110 1 14 SER HA 1 33 ILE H 1.800 . 6.000 6.032 5.852 6.235 0.235 22 0 "[ . 1 . 2 .]" 1
111 1 15 ILE H 1 33 ILE HB 1.800 . 4.000 3.781 3.689 3.897 . 0 0 "[ . 1 . 2 .]" 1
112 1 15 ILE HB 1 33 ILE H 1.800 . 5.000 4.884 4.740 4.990 . 0 0 "[ . 1 . 2 .]" 1
113 1 15 ILE H 1 33 ILE H 1.800 . 5.000 4.413 4.377 4.467 . 0 0 "[ . 1 . 2 .]" 1
114 1 32 ALA HA 1 33 ILE H 1.800 . 3.000 2.051 2.017 2.074 . 0 0 "[ . 1 . 2 .]" 1
115 1 32 ALA MB 1 33 ILE H 1.800 . 3.724 2.867 2.683 2.946 . 0 0 "[ . 1 . 2 .]" 1
116 1 33 ILE H 1 33 ILE HB 1.800 . 3.000 2.225 2.073 2.308 . 0 0 "[ . 1 . 2 .]" 1
117 1 33 ILE H 1 33 ILE MD 1.800 . 5.200 3.881 3.710 3.965 . 0 0 "[ . 1 . 2 .]" 1
118 1 33 ILE H 1 33 ILE MG 1.800 . 4.000 2.036 1.895 2.232 . 0 0 "[ . 1 . 2 .]" 1
119 1 15 ILE H 1 34 LYS HA 1.800 . 5.000 3.747 3.636 4.364 . 0 0 "[ . 1 . 2 .]" 1
120 1 33 ILE HA 1 34 LYS H 1.800 . 3.000 2.765 2.667 3.193 0.193 4 0 "[ . 1 . 2 .]" 1
121 1 33 ILE MG 1 34 LYS H 1.800 . 5.000 3.688 1.951 3.857 . 0 0 "[ . 1 . 2 .]" 1
122 1 33 ILE H 1 34 LYS H 1.800 . 5.000 3.731 3.618 4.118 . 0 0 "[ . 1 . 2 .]" 1
123 1 34 LYS H 1 34 LYS QG 1.800 . 5.180 3.763 1.997 4.208 . 0 0 "[ . 1 . 2 .]" 1
124 1 14 SER H 1 35 ALA MB 1.800 . 6.300 3.643 3.260 4.260 . 0 0 "[ . 1 . 2 .]" 1
125 1 15 ILE H 1 35 ALA H 1.800 . 5.000 3.550 3.378 3.765 . 0 0 "[ . 1 . 2 .]" 1
126 1 34 LYS HA 1 35 ALA H 1.800 . 3.000 2.284 2.242 2.380 . 0 0 "[ . 1 . 2 .]" 1
127 1 34 LYS QD 1 35 ALA H 1.800 . 5.180 3.980 2.882 4.649 . 0 0 "[ . 1 . 2 .]" 1
128 1 34 LYS H 1 35 ALA H 1.800 . 4.000 3.846 3.689 3.984 . 0 0 "[ . 1 . 2 .]" 1
129 1 35 ALA H 1 35 ALA MB 1.800 . 3.724 2.040 1.979 2.182 . 0 0 "[ . 1 . 2 .]" 1
130 1 35 ALA H 1 36 GLN H 1.800 . 5.000 4.638 4.630 4.644 . 0 0 "[ . 1 . 2 .]" 1
131 1 35 ALA MB 1 38 GLY H 1.800 . 5.180 3.131 2.924 3.329 . 0 0 "[ . 1 . 2 .]" 1
132 1 35 ALA MB 1 39 THR H 1.800 . 4.060 2.544 2.345 3.076 . 0 0 "[ . 1 . 2 .]" 1
133 1 36 GLN HA 1 39 THR H 1.800 . 4.000 4.055 4.026 4.100 0.100 1 0 "[ . 1 . 2 .]" 1
134 1 36 GLN QB 1 39 THR H 1.800 . 6.300 3.577 3.299 4.395 . 0 0 "[ . 1 . 2 .]" 1
135 1 36 GLN H 1 39 THR H 1.800 . 4.000 2.982 2.903 3.109 . 0 0 "[ . 1 . 2 .]" 1
136 1 38 GLY QA 1 39 THR H 1.800 . 5.180 2.919 2.884 2.962 . 0 0 "[ . 1 . 2 .]" 1
137 1 38 GLY H 1 39 THR H 1.800 . 3.000 2.293 2.221 2.381 . 0 0 "[ . 1 . 2 .]" 1
138 1 39 THR H 1 39 THR MG 1.800 . 4.000 3.630 3.602 3.647 . 0 0 "[ . 1 . 2 .]" 1
139 1 30 LEU MD2 1 41 ASP H 1.800 . 5.200 4.332 4.029 4.461 . 0 0 "[ . 1 . 2 .]" 1
140 1 41 ASP H 1 41 ASP HA 1.800 . 3.000 2.876 2.867 2.889 . 0 0 "[ . 1 . 2 .]" 1
141 1 41 ASP HA 1 42 TRP H 1.800 . 3.000 2.236 2.212 2.251 . 0 0 "[ . 1 . 2 .]" 1
142 1 41 ASP QB 1 42 TRP H 1.800 . 5.180 3.785 3.753 3.822 . 0 0 "[ . 1 . 2 .]" 1
143 1 41 ASP H 1 42 TRP H 1.800 . 4.000 4.109 4.087 4.127 0.127 21 0 "[ . 1 . 2 .]" 1
144 1 41 ASP HA 1 43 ASN H 1.800 . 3.000 3.191 3.157 3.239 0.239 6 0 "[ . 1 . 2 .]" 1
145 1 42 TRP QB 1 43 ASN H 1.800 . 6.300 2.947 2.850 3.054 . 0 0 "[ . 1 . 2 .]" 1
146 1 42 TRP HD1 1 43 ASN H 1.800 . 6.300 5.101 3.731 5.951 . 0 0 "[ . 1 . 2 .]" 1
147 1 42 TRP H 1 43 ASN H 1.800 . 4.000 2.270 2.189 2.430 . 0 0 "[ . 1 . 2 .]" 1
148 1 41 ASP HA 1 44 ILE H 1.800 . 5.000 3.812 3.659 3.922 . 0 0 "[ . 1 . 2 .]" 1
149 1 41 ASP QB 1 44 ILE H 1.800 . 6.300 2.919 2.682 3.108 . 0 0 "[ . 1 . 2 .]" 1
150 1 42 TRP H 1 44 ILE H 1.800 . 4.000 3.992 3.777 4.073 0.073 19 0 "[ . 1 . 2 .]" 1
151 1 43 ASN H 1 44 ILE MG 1.800 . 6.400 5.300 3.423 5.525 . 0 0 "[ . 1 . 2 .]" 1
152 1 43 ASN QB 1 44 ILE H 1.800 . 5.180 2.610 2.426 2.763 . 0 0 "[ . 1 . 2 .]" 1
153 1 43 ASN H 1 44 ILE H 1.800 . 3.000 2.357 2.283 2.472 . 0 0 "[ . 1 . 2 .]" 1
154 1 44 ILE H 1 44 ILE HA 1.800 . 3.000 2.899 2.877 2.929 . 0 0 "[ . 1 . 2 .]" 1
155 1 44 ILE H 1 44 ILE HB 1.800 . 3.000 2.281 2.075 3.467 0.467 19 0 "[ . 1 . 2 .]" 1
156 1 44 ILE H 1 44 ILE MD 1.800 . 5.000 2.500 1.849 4.000 . 0 0 "[ . 1 . 2 .]" 1
157 1 44 ILE H 1 44 ILE QG 1.800 . 4.000 2.854 1.900 3.411 . 0 0 "[ . 1 . 2 .]" 1
158 1 42 TRP HA 1 45 ILE H 1.800 . 4.000 3.810 3.570 4.046 0.046 6 0 "[ . 1 . 2 .]" 1
159 1 43 ASN H 1 45 ILE H 1.800 . 5.000 4.215 4.056 4.450 . 0 0 "[ . 1 . 2 .]" 1
160 1 44 ILE H 1 45 ILE H 1.800 . 3.000 2.713 2.555 2.849 . 0 0 "[ . 1 . 2 .]" 1
161 1 42 TRP HA 1 46 GLU H 1.800 . 5.000 3.485 3.262 3.736 . 0 0 "[ . 1 . 2 .]" 1
162 1 43 ASN HA 1 46 GLU H 1.800 . 4.000 4.020 3.944 4.114 0.114 2 0 "[ . 1 . 2 .]" 1
163 1 43 ASN H 1 46 GLU H 1.800 . 5.000 4.605 4.511 4.761 . 0 0 "[ . 1 . 2 .]" 1
164 1 44 ILE H 1 46 GLU H 1.800 . 5.000 4.002 3.831 4.224 . 0 0 "[ . 1 . 2 .]" 1
165 1 45 ILE HA 1 46 GLU H 1.800 . 5.000 3.578 3.550 3.622 . 0 0 "[ . 1 . 2 .]" 1
166 1 45 ILE MD 1 46 GLU H 1.800 . 6.400 4.083 3.603 4.345 . 0 0 "[ . 1 . 2 .]" 1
167 1 45 ILE QG 1 46 GLU H 1.800 . 6.400 4.126 3.974 4.238 . 0 0 "[ . 1 . 2 .]" 1
168 1 45 ILE MG 1 46 GLU H 1.800 . 5.200 3.453 3.145 3.721 . 0 0 "[ . 1 . 2 .]" 1
169 1 45 ILE H 1 46 GLU H 1.800 . 4.000 2.708 2.600 2.783 . 0 0 "[ . 1 . 2 .]" 1
170 1 46 GLU H 1 46 GLU HA 1.800 . 3.000 2.845 2.802 2.919 . 0 0 "[ . 1 . 2 .]" 1
171 1 43 ASN HA 1 47 ARG H 1.800 . 5.000 4.178 3.734 4.519 . 0 0 "[ . 1 . 2 .]" 1
172 1 44 ILE HA 1 47 ARG H 1.800 . 4.000 3.809 3.498 4.028 0.028 1 0 "[ . 1 . 2 .]" 1
173 1 44 ILE MG 1 47 ARG H 1.800 . 6.400 4.923 4.650 5.319 . 0 0 "[ . 1 . 2 .]" 1
174 1 46 GLU HA 1 47 ARG H 1.800 . 4.000 3.554 3.521 3.580 . 0 0 "[ . 1 . 2 .]" 1
175 1 46 GLU QB 1 47 ARG H 1.800 . 4.060 2.543 2.378 2.706 . 0 0 "[ . 1 . 2 .]" 1
176 1 46 GLU H 1 47 ARG H 1.800 . 3.000 2.735 2.522 2.905 . 0 0 "[ . 1 . 2 .]" 1
177 1 47 ARG H 1 47 ARG HA 1.800 . 3.000 2.850 2.808 2.890 . 0 0 "[ . 1 . 2 .]" 1
178 1 47 ARG H 1 47 ARG QD 1.800 . 6.300 3.719 2.976 4.336 . 0 0 "[ . 1 . 2 .]" 1
179 1 47 ARG H 1 47 ARG QG 1.800 . 5.180 2.887 2.089 3.922 . 0 0 "[ . 1 . 2 .]" 1
180 1 45 ILE H 1 48 LEU H 1.800 . 5.000 5.007 4.890 5.086 0.086 4 0 "[ . 1 . 2 .]" 1
181 1 46 GLU H 1 48 LEU H 1.800 . 5.000 4.322 4.148 4.569 . 0 0 "[ . 1 . 2 .]" 1
182 1 47 ARG H 1 48 LEU H 1.800 . 4.000 2.760 2.633 2.873 . 0 0 "[ . 1 . 2 .]" 1
183 1 48 LEU H 1 48 LEU HA 1.800 . 3.000 2.890 2.839 2.934 . 0 0 "[ . 1 . 2 .]" 1
184 1 48 LEU H 1 48 LEU QB 1.800 . 4.060 2.179 1.924 2.518 . 0 0 "[ . 1 . 2 .]" 1
185 1 48 LEU H 1 48 LEU MD1 1.800 . 3.640 2.984 2.630 3.417 . 0 0 "[ . 1 . 2 .]" 1
186 1 46 GLU HA 1 49 LEU H 1.800 . 5.000 3.367 3.157 3.907 . 0 0 "[ . 1 . 2 .]" 1
187 1 48 LEU QB 1 49 LEU H 1.800 . 5.180 2.810 2.245 3.334 . 0 0 "[ . 1 . 2 .]" 1
188 1 49 LEU H 1 49 LEU MD1 1.800 . 4.360 2.568 1.910 3.420 . 0 0 "[ . 1 . 2 .]" 1
189 1 49 LEU H 1 49 LEU MD2 1.800 . 5.200 4.169 3.988 4.374 . 0 0 "[ . 1 . 2 .]" 1
190 1 49 LEU MD1 1 50 LYS H 1.800 . 6.400 4.329 4.035 4.653 . 0 0 "[ . 1 . 2 .]" 1
191 1 49 LEU MD2 1 50 LYS H 1.800 . 6.400 4.349 3.797 4.709 . 0 0 "[ . 1 . 2 .]" 1
192 1 50 LYS H 1 51 GLU H 1.800 . 3.000 2.608 2.506 2.698 . 0 0 "[ . 1 . 2 .]" 1
193 1 51 GLU H 1 51 GLU HA 1.800 . 3.000 2.919 2.813 2.939 . 0 0 "[ . 1 . 2 .]" 1
194 1 49 LEU H 1 52 TRP QB 1.800 . 6.300 4.728 4.305 5.291 . 0 0 "[ . 1 . 2 .]" 1
195 1 51 GLU H 1 52 TRP HD1 1.800 . 5.180 4.964 4.652 5.194 0.014 4 0 "[ . 1 . 2 .]" 1
196 1 51 GLU HA 1 52 TRP H 1.800 . 4.000 3.575 3.519 3.594 . 0 0 "[ . 1 . 2 .]" 1
197 1 51 GLU QB 1 52 TRP H 1.800 . 4.060 2.620 2.477 2.827 . 0 0 "[ . 1 . 2 .]" 1
198 1 51 GLU QG 1 52 TRP H 1.800 . 5.180 4.188 3.709 4.514 . 0 0 "[ . 1 . 2 .]" 1
199 1 51 GLU H 1 52 TRP H 1.800 . 3.000 2.572 2.494 2.782 . 0 0 "[ . 1 . 2 .]" 1
200 1 52 TRP H 1 52 TRP HA 1.800 . 3.000 2.983 2.962 2.996 . 0 0 "[ . 1 . 2 .]" 1
201 1 52 TRP H 1 52 TRP HD1 1.800 . 5.180 3.418 3.178 3.694 . 0 0 "[ . 1 . 2 .]" 1
202 1 52 TRP H 1 52 TRP HE3 1.800 . 5.000 4.999 4.694 5.075 0.075 9 0 "[ . 1 . 2 .]" 1
203 1 51 GLU H 1 53 GLN H 1.800 . 5.000 3.790 3.584 3.981 . 0 0 "[ . 1 . 2 .]" 1
204 1 52 TRP HA 1 53 GLN H 1.800 . 4.000 3.490 3.290 3.558 . 0 0 "[ . 1 . 2 .]" 1
205 1 52 TRP QB 1 53 GLN H 1.800 . 6.300 2.940 2.690 3.427 . 0 0 "[ . 1 . 2 .]" 1
206 1 53 GLN H 1 53 GLN HA 1.800 . 3.000 2.369 2.362 2.375 . 0 0 "[ . 1 . 2 .]" 1
207 1 53 GLN H 1 53 GLN QG 1.800 . 4.060 3.180 2.464 3.720 . 0 0 "[ . 1 . 2 .]" 1
208 1 4 THR H 1 55 ASP HA 1.800 . 5.000 4.738 4.359 5.128 0.128 22 0 "[ . 1 . 2 .]" 1
209 1 4 THR HA 1 55 ASP H 1.800 . 4.000 4.206 4.136 4.269 0.269 21 0 "[ . 1 . 2 .]" 1
210 1 4 THR HB 1 55 ASP H 1.800 . 4.000 2.636 2.296 3.226 . 0 0 "[ . 1 . 2 .]" 1
211 1 4 THR MG 1 55 ASP H 1.800 . 5.200 3.424 3.044 3.882 . 0 0 "[ . 1 . 2 .]" 1
212 1 4 THR H 1 55 ASP H 1.800 . 5.000 2.998 2.491 3.525 . 0 0 "[ . 1 . 2 .]" 1
213 1 54 PRO HA 1 55 ASP H 1.800 . 3.000 2.211 2.188 2.284 . 0 0 "[ . 1 . 2 .]" 1
214 1 5 LEU MD2 1 56 GLU H 1.800 . 4.000 3.167 2.943 3.446 . 0 0 "[ . 1 . 2 .]" 1
215 1 6 LEU H 1 56 GLU H 1.800 . 5.000 3.741 3.445 3.996 . 0 0 "[ . 1 . 2 .]" 1
216 1 55 ASP QB 1 56 GLU H 1.800 . 5.180 2.533 2.381 2.670 . 0 0 "[ . 1 . 2 .]" 1
217 1 55 ASP H 1 56 GLU H 1.800 . 3.000 2.585 2.451 2.676 . 0 0 "[ . 1 . 2 .]" 1
218 1 6 LEU H 1 57 ILE HA 1.800 . 5.000 2.716 2.374 2.929 . 0 0 "[ . 1 . 2 .]" 1
219 1 56 GLU HA 1 57 ILE H 1.800 . 3.000 2.349 2.244 2.414 . 0 0 "[ . 1 . 2 .]" 1
220 1 56 GLU H 1 57 ILE H 1.800 . 5.000 4.447 4.307 4.507 . 0 0 "[ . 1 . 2 .]" 1
221 1 57 ILE H 1 57 ILE HB 1.800 . 3.000 2.699 2.534 2.912 . 0 0 "[ . 1 . 2 .]" 1
222 1 57 ILE H 1 57 ILE MD 1.800 . 4.000 2.465 2.099 3.278 . 0 0 "[ . 1 . 2 .]" 1
223 1 7 ALA HA 1 58 ILE H 1.800 . 4.000 2.242 2.016 2.536 . 0 0 "[ . 1 . 2 .]" 1
224 1 58 ILE H 1 58 ILE HB 1.800 . 3.000 3.174 3.059 3.298 0.298 6 0 "[ . 1 . 2 .]" 1
225 1 8 PHE H 1 59 VAL HA 1.800 . 4.000 2.526 2.376 2.770 . 0 0 "[ . 1 . 2 .]" 1
226 1 8 PHE H 1 60 GLY H 1.800 . 5.000 4.414 4.266 4.632 . 0 0 "[ . 1 . 2 .]" 1
227 1 59 VAL HA 1 60 GLY H 1.800 . 3.000 2.286 2.256 2.314 . 0 0 "[ . 1 . 2 .]" 1
228 1 60 GLY QA 1 61 LEU H 1.800 . 5.180 2.197 2.171 2.271 . 0 0 "[ . 1 . 2 .]" 1
229 1 60 GLY H 1 61 LEU H 1.800 . 5.000 3.992 3.725 4.187 . 0 0 "[ . 1 . 2 .]" 1
230 1 63 LEU H 1 63 LEU HA 1.800 . 3.000 2.979 2.954 3.002 0.002 2 0 "[ . 1 . 2 .]" 1
231 1 63 LEU H 1 63 LEU MD1 1.800 . 5.200 4.038 3.663 4.283 . 0 0 "[ . 1 . 2 .]" 1
232 1 63 LEU HA 1 64 ASN H 1.800 . 3.000 2.345 2.225 2.437 . 0 0 "[ . 1 . 2 .]" 1
233 1 63 LEU QB 1 64 ASN H 1.800 . 5.180 3.232 2.608 3.783 . 0 0 "[ . 1 . 2 .]" 1
234 1 63 LEU MD1 1 64 ASN H 1.800 . 4.000 2.529 1.923 3.289 . 0 0 "[ . 1 . 2 .]" 1
235 1 63 LEU H 1 64 ASN H 1.800 . 5.000 4.518 4.360 4.631 . 0 0 "[ . 1 . 2 .]" 1
236 1 64 ASN H 1 64 ASN HD21 1.800 . 5.000 3.691 2.205 4.767 . 0 0 "[ . 1 . 2 .]" 1
237 1 66 ASP H 1 66 ASP HA 1.800 . 3.000 2.963 2.903 2.995 . 0 0 "[ . 1 . 2 .]" 1
238 1 64 ASN QB 1 67 GLY H 1.800 . 6.300 2.640 2.222 3.815 . 0 0 "[ . 1 . 2 .]" 1
239 1 66 ASP HA 1 67 GLY H 1.800 . 4.000 3.321 3.126 3.432 . 0 0 "[ . 1 . 2 .]" 1
240 1 66 ASP QB 1 67 GLY H 1.800 . 6.300 3.327 3.101 3.623 . 0 0 "[ . 1 . 2 .]" 1
241 1 66 ASP H 1 67 GLY H 1.800 . 4.000 2.443 2.097 2.638 . 0 0 "[ . 1 . 2 .]" 1
242 1 64 ASN QB 1 68 THR H 1.800 . 5.180 3.404 2.033 4.500 . 0 0 "[ . 1 . 2 .]" 1
243 1 67 GLY QA 1 68 THR H 1.800 . 5.180 2.769 2.600 2.895 . 0 0 "[ . 1 . 2 .]" 1
244 1 67 GLY H 1 68 THR H 1.800 . 3.000 2.729 2.148 2.992 . 0 0 "[ . 1 . 2 .]" 1
245 1 68 THR H 1 68 THR HA 1.800 . 3.000 2.863 2.363 2.999 . 0 0 "[ . 1 . 2 .]" 1
246 1 68 THR H 1 68 THR MG 1.800 . 4.000 2.748 1.906 3.418 . 0 0 "[ . 1 . 2 .]" 1
247 1 68 THR HA 1 69 GLU H 1.800 . 3.000 2.740 2.243 2.992 . 0 0 "[ . 1 . 2 .]" 1
248 1 68 THR MG 1 69 GLU H 1.800 . 3.640 2.781 2.439 3.020 . 0 0 "[ . 1 . 2 .]" 1
249 1 68 THR H 1 69 GLU H 1.800 . 5.000 4.472 4.193 4.716 . 0 0 "[ . 1 . 2 .]" 1
250 1 69 GLU H 1 69 GLU QG 1.800 . 4.060 2.859 1.921 3.751 . 0 0 "[ . 1 . 2 .]" 1
251 1 64 ASN HD21 1 70 GLN QB 1.800 . 6.300 4.104 2.571 5.327 . 0 0 "[ . 1 . 2 .]" 1
252 1 64 ASN H 1 70 GLN QB 1.800 . 6.300 4.643 3.432 5.647 . 0 0 "[ . 1 . 2 .]" 1
253 1 64 ASN HD21 1 70 GLN QG 1.800 . 6.300 3.891 1.983 5.516 . 0 0 "[ . 1 . 2 .]" 1
254 1 64 ASN HD22 1 70 GLN QG 1.800 . 6.300 4.370 2.179 5.453 . 0 0 "[ . 1 . 2 .]" 1
255 1 69 GLU HA 1 70 GLN H 1.800 . 3.000 2.476 2.208 2.968 . 0 0 "[ . 1 . 2 .]" 1
256 1 69 GLU QB 1 70 GLN H 1.800 . 4.060 2.879 1.975 3.738 . 0 0 "[ . 1 . 2 .]" 1
257 1 69 GLU H 1 70 GLN H 1.800 . 5.000 4.562 2.761 4.722 . 0 0 "[ . 1 . 2 .]" 1
258 1 70 GLN H 1 70 GLN QG 1.800 . 5.180 3.175 1.944 4.332 . 0 0 "[ . 1 . 2 .]" 1
259 1 70 GLN H 1 72 LEU H 1.800 . 5.000 4.976 4.550 5.104 0.104 5 0 "[ . 1 . 2 .]" 1
260 1 73 THR H 1 73 THR HA 1.800 . 3.000 2.807 2.796 2.819 . 0 0 "[ . 1 . 2 .]" 1
261 1 73 THR H 1 73 THR HB 1.800 . 3.000 2.999 2.942 3.064 0.064 23 0 "[ . 1 . 2 .]" 1
262 1 73 THR H 1 73 THR MG 1.800 . 4.000 3.479 3.438 3.505 . 0 0 "[ . 1 . 2 .]" 1
263 1 73 THR HA 1 74 ALA H 1.800 . 4.000 3.490 3.482 3.505 . 0 0 "[ . 1 . 2 .]" 1
264 1 73 THR HB 1 74 ALA H 1.800 . 5.000 3.160 3.138 3.212 . 0 0 "[ . 1 . 2 .]" 1
265 1 73 THR MG 1 74 ALA H 1.800 . 5.200 4.220 4.176 4.264 . 0 0 "[ . 1 . 2 .]" 1
266 1 73 THR H 1 74 ALA H 1.800 . 4.000 2.816 2.782 2.861 . 0 0 "[ . 1 . 2 .]" 1
267 1 74 ALA H 1 74 ALA HA 1.800 . 3.000 2.797 2.788 2.812 . 0 0 "[ . 1 . 2 .]" 1
268 1 74 ALA H 1 74 ALA MB 1.800 . 3.724 2.057 1.936 2.168 . 0 0 "[ . 1 . 2 .]" 1
269 1 73 THR HA 1 75 ARG H 1.800 . 4.000 3.653 3.483 3.879 . 0 0 "[ . 1 . 2 .]" 1
270 1 73 THR H 1 75 ARG H 1.800 . 5.000 4.573 4.452 4.713 . 0 0 "[ . 1 . 2 .]" 1
271 1 74 ALA HA 1 75 ARG H 1.800 . 4.000 3.523 3.500 3.550 . 0 0 "[ . 1 . 2 .]" 1
272 1 74 ALA MB 1 75 ARG H 1.800 . 4.060 2.653 2.571 2.810 . 0 0 "[ . 1 . 2 .]" 1
273 1 74 ALA H 1 75 ARG H 1.800 . 4.000 2.802 2.734 2.868 . 0 0 "[ . 1 . 2 .]" 1
274 1 75 ARG H 1 75 ARG HA 1.800 . 3.000 2.927 2.896 2.945 . 0 0 "[ . 1 . 2 .]" 1
275 1 75 ARG H 1 75 ARG QD 1.800 . 6.300 4.084 2.776 4.672 . 0 0 "[ . 1 . 2 .]" 1
276 1 73 THR HB 1 76 ALA H 1.800 . 5.000 4.586 4.537 4.641 . 0 0 "[ . 1 . 2 .]" 1
277 1 74 ALA HA 1 76 ALA H 1.800 . 5.000 4.267 4.179 4.390 . 0 0 "[ . 1 . 2 .]" 1
278 1 75 ARG HA 1 76 ALA H 1.800 . 4.000 3.529 3.508 3.550 . 0 0 "[ . 1 . 2 .]" 1
279 1 75 ARG QB 1 76 ALA H 1.800 . 4.060 2.741 2.625 2.835 . 0 0 "[ . 1 . 2 .]" 1
280 1 75 ARG H 1 76 ALA H 1.800 . 3.000 2.376 2.296 2.490 . 0 0 "[ . 1 . 2 .]" 1
281 1 76 ALA H 1 76 ALA MB 1.800 . 3.724 2.033 1.893 2.137 . 0 0 "[ . 1 . 2 .]" 1
282 1 74 ALA HA 1 77 ARG H 1.800 . 4.000 3.707 3.489 3.920 . 0 0 "[ . 1 . 2 .]" 1
283 1 74 ALA H 1 77 ARG H 1.800 . 5.000 5.017 4.816 5.115 0.115 5 0 "[ . 1 . 2 .]" 1
284 1 75 ARG H 1 77 ARG H 1.800 . 5.000 4.226 4.081 4.398 . 0 0 "[ . 1 . 2 .]" 1
285 1 76 ALA HA 1 77 ARG H 1.800 . 5.000 3.580 3.544 3.593 . 0 0 "[ . 1 . 2 .]" 1
286 1 76 ALA H 1 77 ARG H 1.800 . 3.000 2.749 2.636 2.801 . 0 0 "[ . 1 . 2 .]" 1
287 1 77 ARG H 1 77 ARG HA 1.800 . 3.000 2.849 2.817 2.887 . 0 0 "[ . 1 . 2 .]" 1
288 1 77 ARG H 1 77 ARG QG 1.800 . 4.060 2.655 1.958 3.766 . 0 0 "[ . 1 . 2 .]" 1
289 1 76 ALA HA 1 79 PHE H 1.800 . 4.000 3.378 3.236 3.585 . 0 0 "[ . 1 . 2 .]" 1
290 1 77 ARG HA 1 79 PHE H 1.800 . 4.000 4.073 4.028 4.136 0.136 4 0 "[ . 1 . 2 .]" 1
291 1 77 ARG QB 1 79 PHE H 1.800 . 5.060 4.318 4.217 4.501 . 0 0 "[ . 1 . 2 .]" 1
292 1 78 LYS QG 1 79 PHE H 1.800 . 5.180 4.295 3.925 4.555 . 0 0 "[ . 1 . 2 .]" 1
293 1 79 PHE H 1 79 PHE HA 1.800 . 3.000 2.868 2.838 2.894 . 0 0 "[ . 1 . 2 .]" 1
294 1 79 PHE H 1 79 PHE QD 1.800 . 5.180 4.014 2.362 4.158 . 0 0 "[ . 1 . 2 .]" 1
295 1 76 ALA HA 1 80 ALA H 1.800 . 5.000 4.454 4.096 4.927 . 0 0 "[ . 1 . 2 .]" 1
296 1 79 PHE QB 1 80 ALA H 1.800 . 4.060 2.402 2.081 2.704 . 0 0 "[ . 1 . 2 .]" 1
297 1 79 PHE QD 1 80 ALA H 1.800 . 5.180 3.517 3.158 4.160 . 0 0 "[ . 1 . 2 .]" 1
298 1 79 PHE QE 1 80 ALA H 1.800 . 6.300 5.608 4.744 6.026 . 0 0 "[ . 1 . 2 .]" 1
299 1 79 PHE H 1 80 ALA H 1.800 . 4.000 2.667 2.519 2.859 . 0 0 "[ . 1 . 2 .]" 1
300 1 80 ALA H 1 80 ALA HA 1.800 . 3.000 2.841 2.820 2.860 . 0 0 "[ . 1 . 2 .]" 1
301 1 80 ALA H 1 80 ALA MB 1.800 . 3.724 2.009 1.920 2.153 . 0 0 "[ . 1 . 2 .]" 1
302 1 78 LYS HA 1 81 ASN H 1.800 . 3.000 3.128 3.081 3.160 0.160 9 0 "[ . 1 . 2 .]" 1
303 1 80 ALA HA 1 81 ASN H 1.800 . 5.000 3.552 3.530 3.578 . 0 0 "[ . 1 . 2 .]" 1
304 1 80 ALA MB 1 81 ASN H 1.800 . 3.724 2.645 2.463 2.755 . 0 0 "[ . 1 . 2 .]" 1
305 1 80 ALA H 1 81 ASN H 1.800 . 3.000 2.686 2.622 2.781 . 0 0 "[ . 1 . 2 .]" 1
306 1 81 ASN H 1 81 ASN HA 1.800 . 3.000 2.885 2.830 2.935 . 0 0 "[ . 1 . 2 .]" 1
307 1 80 ALA HA 1 82 ARG H 1.800 . 5.000 3.937 3.827 4.169 . 0 0 "[ . 1 . 2 .]" 1
308 1 81 ASN HA 1 82 ARG H 1.800 . 4.000 3.503 3.489 3.546 . 0 0 "[ . 1 . 2 .]" 1
309 1 81 ASN QB 1 82 ARG H 1.800 . 4.060 2.876 2.592 2.968 . 0 0 "[ . 1 . 2 .]" 1
310 1 81 ASN H 1 82 ARG H 1.800 . 3.000 2.574 2.368 2.753 . 0 0 "[ . 1 . 2 .]" 1
311 1 82 ARG H 1 82 ARG HA 1.800 . 3.000 2.898 2.875 2.923 . 0 0 "[ . 1 . 2 .]" 1
312 1 82 ARG H 1 82 ARG QD 1.800 . 5.180 4.013 3.467 4.502 . 0 0 "[ . 1 . 2 .]" 1
313 1 10 PHE QE 1 83 ILE H 1.800 . 6.300 5.774 4.498 6.077 . 0 0 "[ . 1 . 2 .]" 1
314 1 82 ARG HA 1 83 ILE H 1.800 . 5.000 3.612 3.586 3.624 . 0 0 "[ . 1 . 2 .]" 1
315 1 82 ARG H 1 83 ILE H 1.800 . 3.000 2.795 2.706 2.866 . 0 0 "[ . 1 . 2 .]" 1
316 1 83 ILE H 1 83 ILE HA 1.800 . 3.000 2.847 2.826 2.898 . 0 0 "[ . 1 . 2 .]" 1
317 1 83 ILE H 1 83 ILE MD 1.800 . 4.000 3.231 2.259 3.510 . 0 0 "[ . 1 . 2 .]" 1
318 1 82 ARG H 1 84 HIS H 1.800 . 5.000 3.761 3.631 3.847 . 0 0 "[ . 1 . 2 .]" 1
319 1 83 ILE H 1 84 HIS H 1.800 . 4.000 2.691 2.540 2.770 . 0 0 "[ . 1 . 2 .]" 1
320 1 82 ARG HA 1 85 GLY H 1.800 . 4.000 3.770 3.543 4.004 0.004 19 0 "[ . 1 . 2 .]" 1
321 1 84 HIS HA 1 85 GLY H 1.800 . 4.000 3.584 3.567 3.591 . 0 0 "[ . 1 . 2 .]" 1
322 1 84 HIS QB 1 85 GLY H 1.800 . 4.060 2.160 2.051 2.447 . 0 0 "[ . 1 . 2 .]" 1
323 1 84 HIS H 1 85 GLY H 1.800 . 3.000 2.848 2.712 2.967 . 0 0 "[ . 1 . 2 .]" 1
324 1 84 HIS HA 1 86 ARG H 1.800 . 5.000 4.077 3.886 4.239 . 0 0 "[ . 1 . 2 .]" 1
325 1 84 HIS QB 1 86 ARG H 1.800 . 6.300 4.190 4.111 4.369 . 0 0 "[ . 1 . 2 .]" 1
326 1 85 GLY QA 1 86 ARG H 1.800 . 5.180 2.915 2.909 2.926 . 0 0 "[ . 1 . 2 .]" 1
327 1 85 GLY H 1 86 ARG H 1.800 . 3.000 2.575 2.427 2.713 . 0 0 "[ . 1 . 2 .]" 1
328 1 86 ARG H 1 86 ARG QD 1.800 . 6.300 3.870 2.674 4.585 . 0 0 "[ . 1 . 2 .]" 1
329 1 85 GLY QA 1 87 PHE H 1.800 . 5.180 4.151 3.976 4.294 . 0 0 "[ . 1 . 2 .]" 1
330 1 86 ARG QB 1 87 PHE H 1.800 . 4.060 2.499 2.390 2.584 . 0 0 "[ . 1 . 2 .]" 1
331 1 86 ARG QG 1 87 PHE H 1.800 . 5.180 4.168 3.714 4.376 . 0 0 "[ . 1 . 2 .]" 1
332 1 86 ARG H 1 87 PHE H 1.800 . 3.000 2.659 2.544 2.755 . 0 0 "[ . 1 . 2 .]" 1
333 1 84 HIS HA 1 88 GLY H 1.800 . 4.000 3.796 3.205 4.040 0.040 13 0 "[ . 1 . 2 .]" 1
334 1 86 ARG QB 1 88 GLY H 1.800 . 5.180 4.177 4.114 4.271 . 0 0 "[ . 1 . 2 .]" 1
335 1 86 ARG H 1 88 GLY H 1.800 . 5.000 3.545 3.480 3.617 . 0 0 "[ . 1 . 2 .]" 1
336 1 87 PHE HA 1 88 GLY H 1.800 . 4.000 3.434 3.419 3.448 . 0 0 "[ . 1 . 2 .]" 1
337 1 87 PHE QB 1 88 GLY H 1.800 . 6.300 3.124 3.055 3.186 . 0 0 "[ . 1 . 2 .]" 1
338 1 87 PHE H 1 88 GLY H 1.800 . 3.000 1.995 1.938 2.156 . 0 0 "[ . 1 . 2 .]" 1
339 1 86 ARG H 1 89 VAL H 1.800 . 5.000 5.065 4.991 5.133 0.133 13 0 "[ . 1 . 2 .]" 1
340 1 87 PHE QB 1 89 VAL H 1.800 . 5.180 3.235 2.926 3.419 . 0 0 "[ . 1 . 2 .]" 1
341 1 87 PHE H 1 89 VAL H 1.800 . 5.000 3.528 3.351 3.686 . 0 0 "[ . 1 . 2 .]" 1
342 1 88 GLY QA 1 89 VAL H 1.800 . 5.180 2.726 2.677 2.804 . 0 0 "[ . 1 . 2 .]" 1
343 1 88 GLY H 1 89 VAL H 1.800 . 3.000 2.426 2.324 2.527 . 0 0 "[ . 1 . 2 .]" 1
344 1 89 VAL H 1 89 VAL HA 1.800 . 3.000 2.982 2.955 2.999 . 0 0 "[ . 1 . 2 .]" 1
345 1 89 VAL H 1 89 VAL HB 1.800 . 4.000 3.625 3.576 3.678 . 0 0 "[ . 1 . 2 .]" 1
346 1 89 VAL H 1 89 VAL MG2 1.800 . 3.640 1.925 1.887 1.973 . 0 0 "[ . 1 . 2 .]" 1
347 1 57 ILE H 1 90 GLU QB 1.800 . 6.300 3.822 3.298 4.172 . 0 0 "[ . 1 . 2 .]" 1
348 1 89 VAL HA 1 90 GLU H 1.800 . 3.000 2.308 2.303 2.316 . 0 0 "[ . 1 . 2 .]" 1
349 1 89 VAL MG2 1 90 GLU H 1.800 . 4.360 3.690 3.655 3.734 . 0 0 "[ . 1 . 2 .]" 1
350 1 89 VAL H 1 90 GLU H 1.800 . 5.000 4.573 4.532 4.613 . 0 0 "[ . 1 . 2 .]" 1
351 1 57 ILE H 1 91 VAL HA 1.800 . 4.000 3.138 2.710 3.693 . 0 0 "[ . 1 . 2 .]" 1
352 1 90 GLU HA 1 91 VAL H 1.800 . 3.000 2.420 2.283 2.546 . 0 0 "[ . 1 . 2 .]" 1
353 1 90 GLU QB 1 91 VAL H 1.800 . 5.180 3.968 3.860 4.072 . 0 0 "[ . 1 . 2 .]" 1
354 1 90 GLU H 1 91 VAL H 1.800 . 5.000 4.027 3.834 4.289 . 0 0 "[ . 1 . 2 .]" 1
355 1 91 VAL H 1 91 VAL HB 1.800 . 3.000 2.386 2.225 2.626 . 0 0 "[ . 1 . 2 .]" 1
356 1 91 VAL H 1 91 VAL MG1 1.800 . 5.200 2.124 1.914 2.391 . 0 0 "[ . 1 . 2 .]" 1
357 1 91 VAL H 1 91 VAL MG2 1.800 . 4.000 3.683 3.640 3.718 . 0 0 "[ . 1 . 2 .]" 1
358 1 57 ILE H 1 92 LYS H 1.800 . 5.000 4.152 3.579 4.536 . 0 0 "[ . 1 . 2 .]" 1
359 1 58 ILE HA 1 92 LYS H 1.800 . 4.000 2.770 2.400 3.253 . 0 0 "[ . 1 . 2 .]" 1
360 1 58 ILE MG 1 92 LYS H 1.800 . 6.400 4.085 3.405 4.731 . 0 0 "[ . 1 . 2 .]" 1
361 1 59 VAL H 1 92 LYS H 1.800 . 5.000 3.234 2.794 3.472 . 0 0 "[ . 1 . 2 .]" 1
362 1 91 VAL HA 1 92 LYS H 1.800 . 3.000 2.248 2.234 2.259 . 0 0 "[ . 1 . 2 .]" 1
363 1 91 VAL HB 1 92 LYS H 1.800 . 4.000 4.118 4.028 4.195 0.195 4 0 "[ . 1 . 2 .]" 1
364 1 91 VAL MG1 1 92 LYS H 1.800 . 4.000 3.355 3.195 3.545 . 0 0 "[ . 1 . 2 .]" 1
365 1 91 VAL H 1 92 LYS H 1.800 . 5.000 4.552 4.508 4.570 . 0 0 "[ . 1 . 2 .]" 1
366 1 59 VAL H 1 93 LEU HA 1.800 . 4.000 3.256 2.747 3.718 . 0 0 "[ . 1 . 2 .]" 1
367 1 92 LYS HA 1 93 LEU H 1.800 . 3.000 2.325 2.237 2.439 . 0 0 "[ . 1 . 2 .]" 1
368 1 92 LYS H 1 93 LEU H 1.800 . 5.000 4.465 4.332 4.547 . 0 0 "[ . 1 . 2 .]" 1
369 1 93 LEU H 1 93 LEU QB 1.800 . 4.060 2.242 2.016 3.128 . 0 0 "[ . 1 . 2 .]" 1
370 1 93 LEU H 1 93 LEU MD1 1.800 . 4.000 3.039 1.876 3.436 . 0 0 "[ . 1 . 2 .]" 1
371 1 59 VAL H 1 94 HIS H 1.800 . 4.000 3.958 3.662 4.075 0.075 19 0 "[ . 1 . 2 .]" 1
372 1 93 LEU HA 1 94 HIS H 1.800 . 3.000 2.222 2.201 2.266 . 0 0 "[ . 1 . 2 .]" 1
373 1 93 LEU MD2 1 94 HIS H 1.800 . 5.200 2.791 1.881 3.948 . 0 0 "[ . 1 . 2 .]" 1
374 1 94 HIS HA 1 95 ASP H 1.800 . 3.000 2.234 2.203 2.278 . 0 0 "[ . 1 . 2 .]" 1
375 1 94 HIS H 1 95 ASP H 1.800 . 5.000 4.389 4.268 4.563 . 0 0 "[ . 1 . 2 .]" 1
376 1 95 ASP HA 1 96 GLU H 1.800 . 3.000 2.261 2.204 2.285 . 0 0 "[ . 1 . 2 .]" 1
377 1 96 GLU H 1 96 GLU QG 1.800 . 5.180 2.506 1.921 3.460 . 0 0 "[ . 1 . 2 .]" 1
378 1 96 GLU HA 1 97 ARG H 1.800 . 3.000 2.668 2.284 3.056 0.056 21 0 "[ . 1 . 2 .]" 1
379 1 96 GLU H 1 97 ARG H 1.800 . 4.000 3.490 2.476 4.124 0.124 21 0 "[ . 1 . 2 .]" 1
380 1 97 ARG H 1 97 ARG HA 1.800 . 3.000 2.911 2.839 2.954 . 0 0 "[ . 1 . 2 .]" 1
381 1 97 ARG H 1 98 LEU H 1.800 . 4.000 2.518 2.312 2.752 . 0 0 "[ . 1 . 2 .]" 1
382 1 101 VAL H 1 101 VAL HA 1.800 . 3.000 2.901 2.822 2.954 . 0 0 "[ . 1 . 2 .]" 1
383 1 101 VAL H 1 101 VAL HB 1.800 . 3.000 2.233 2.037 2.331 . 0 0 "[ . 1 . 2 .]" 1
384 1 101 VAL H 1 101 VAL MG1 1.800 . 4.000 2.489 2.323 3.459 . 0 0 "[ . 1 . 2 .]" 1
385 1 101 VAL HA 1 102 GLU H 1.800 . 3.000 2.317 2.295 2.325 . 0 0 "[ . 1 . 2 .]" 1
386 1 101 VAL MG1 1 102 GLU H 1.800 . 4.000 3.272 2.440 3.379 . 0 0 "[ . 1 . 2 .]" 1
387 1 101 VAL H 1 102 GLU H 1.800 . 5.000 4.657 4.590 4.685 . 0 0 "[ . 1 . 2 .]" 1
388 1 102 GLU H 1 102 GLU HA 1.800 . 3.000 2.936 2.852 2.978 . 0 0 "[ . 1 . 2 .]" 1
389 1 124 ALA HA 1 125 SER H 1.800 . 4.000 3.529 3.493 3.577 . 0 0 "[ . 1 . 2 .]" 1
390 1 124 ALA MB 1 125 SER H 1.800 . 4.060 2.700 2.468 2.880 . 0 0 "[ . 1 . 2 .]" 1
391 1 124 ALA H 1 125 SER H 1.800 . 4.000 2.604 2.455 2.864 . 0 0 "[ . 1 . 2 .]" 1
392 1 9 ASP H 1 126 ALA HA 1.800 . 5.000 3.960 3.645 4.348 . 0 0 "[ . 1 . 2 .]" 1
393 1 9 ASP H 1 126 ALA MB 1.800 . 4.396 2.364 1.973 2.727 . 0 0 "[ . 1 . 2 .]" 1
394 1 124 ALA HA 1 126 ALA H 1.800 . 4.000 3.829 3.554 4.057 0.057 21 0 "[ . 1 . 2 .]" 1
395 1 124 ALA MB 1 126 ALA H 1.800 . 6.300 4.373 4.239 4.577 . 0 0 "[ . 1 . 2 .]" 1
396 1 124 ALA H 1 126 ALA H 1.800 . 5.000 4.305 4.054 4.590 . 0 0 "[ . 1 . 2 .]" 1
397 1 125 SER HA 1 126 ALA H 1.800 . 4.000 3.517 3.476 3.556 . 0 0 "[ . 1 . 2 .]" 1
398 1 125 SER H 1 126 ALA H 1.800 . 4.000 2.807 2.669 2.876 . 0 0 "[ . 1 . 2 .]" 1
399 1 126 ALA H 1 126 ALA HA 1.800 . 3.000 2.917 2.886 2.938 . 0 0 "[ . 1 . 2 .]" 1
400 1 126 ALA H 1 126 ALA MB 1.800 . 4.060 2.084 1.966 2.223 . 0 0 "[ . 1 . 2 .]" 1
401 1 18 ALA MB 1 127 VAL H 1.800 . 5.180 2.311 2.083 2.524 . 0 0 "[ . 1 . 2 .]" 1
402 1 124 ALA HA 1 127 VAL H 1.800 . 4.000 3.320 3.077 3.545 . 0 0 "[ . 1 . 2 .]" 1
403 1 126 ALA HA 1 127 VAL H 1.800 . 5.000 3.603 3.582 3.631 . 0 0 "[ . 1 . 2 .]" 1
404 1 126 ALA MB 1 127 VAL H 1.800 . 4.396 2.287 2.099 2.503 . 0 0 "[ . 1 . 2 .]" 1
405 1 126 ALA H 1 127 VAL H 1.800 . 3.000 2.616 2.475 2.756 . 0 0 "[ . 1 . 2 .]" 1
406 1 127 VAL H 1 127 VAL HB 1.800 . 3.000 3.124 3.038 3.220 0.220 5 0 "[ . 1 . 2 .]" 1
407 1 125 SER H 1 128 ILE MG 1.800 . 6.400 5.215 5.077 5.323 . 0 0 "[ . 1 . 2 .]" 1
408 1 126 ALA H 1 128 ILE H 1.800 . 5.000 3.414 3.293 3.552 . 0 0 "[ . 1 . 2 .]" 1
409 1 127 VAL H 1 128 ILE H 1.800 . 4.000 2.555 2.400 2.651 . 0 0 "[ . 1 . 2 .]" 1
410 1 9 ASP H 1 129 ILE MD 1.800 . 5.200 3.673 3.274 4.060 . 0 0 "[ . 1 . 2 .]" 1
411 1 60 GLY H 1 129 ILE MD 1.800 . 5.200 3.392 3.205 3.658 . 0 0 "[ . 1 . 2 .]" 1
412 1 60 GLY H 1 129 ILE MG 1.800 . 6.400 4.490 4.259 4.852 . 0 0 "[ . 1 . 2 .]" 1
413 1 126 ALA H 1 129 ILE H 1.800 . 4.000 4.216 4.167 4.276 0.276 12 0 "[ . 1 . 2 .]" 1
414 1 127 VAL H 1 129 ILE H 1.800 . 5.000 4.058 3.898 4.151 . 0 0 "[ . 1 . 2 .]" 1
415 1 128 ILE HA 1 129 ILE H 1.800 . 5.000 3.590 3.578 3.605 . 0 0 "[ . 1 . 2 .]" 1
416 1 128 ILE HB 1 129 ILE H 1.800 . 4.000 2.722 2.553 2.879 . 0 0 "[ . 1 . 2 .]" 1
417 1 128 ILE MG 1 129 ILE H 1.800 . 4.000 2.768 2.465 3.172 . 0 0 "[ . 1 . 2 .]" 1
418 1 128 ILE H 1 129 ILE H 1.800 . 5.000 2.428 2.385 2.469 . 0 0 "[ . 1 . 2 .]" 1
419 1 129 ILE H 1 129 ILE HB 1.800 . 3.000 2.270 2.148 2.351 . 0 0 "[ . 1 . 2 .]" 1
420 1 129 ILE H 1 129 ILE QG 1.800 . 5.200 2.321 2.217 2.508 . 0 0 "[ . 1 . 2 .]" 1
421 1 129 ILE H 1 129 ILE MG 1.800 . 4.360 3.704 3.644 3.732 . 0 0 "[ . 1 . 2 .]" 1
422 1 7 ALA H 1 130 LEU MD2 1.800 . 5.200 2.177 1.858 3.444 . 0 0 "[ . 1 . 2 .]" 1
423 1 20 GLY H 1 130 LEU MD2 1.800 . 5.200 2.596 2.308 3.471 . 0 0 "[ . 1 . 2 .]" 1
424 1 127 VAL HA 1 130 LEU H 1.800 . 5.000 2.938 2.811 3.128 . 0 0 "[ . 1 . 2 .]" 1
425 1 128 ILE HA 1 130 LEU H 1.800 . 5.000 4.200 3.735 4.359 . 0 0 "[ . 1 . 2 .]" 1
426 1 128 ILE H 1 130 LEU H 1.800 . 5.000 3.568 3.398 3.696 . 0 0 "[ . 1 . 2 .]" 1
427 1 129 ILE H 1 130 LEU H 1.800 . 5.000 2.483 2.425 2.535 . 0 0 "[ . 1 . 2 .]" 1
428 1 128 ILE HA 1 131 GLU H 1.800 . 5.000 3.140 2.853 3.430 . 0 0 "[ . 1 . 2 .]" 1
429 1 128 ILE H 1 131 GLU H 1.800 . 5.000 4.351 4.164 4.559 . 0 0 "[ . 1 . 2 .]" 1
430 1 130 LEU HA 1 131 GLU H 1.800 . 4.000 3.568 3.536 3.592 . 0 0 "[ . 1 . 2 .]" 1
431 1 130 LEU MD1 1 131 GLU H 1.800 . 6.400 3.302 2.823 4.057 . 0 0 "[ . 1 . 2 .]" 1
432 1 130 LEU H 1 131 GLU H 1.800 . 4.000 2.701 2.500 2.897 . 0 0 "[ . 1 . 2 .]" 1
433 1 129 ILE HA 1 132 SER H 1.800 . 4.000 3.404 3.265 3.560 . 0 0 "[ . 1 . 2 .]" 1
434 1 129 ILE H 1 132 SER H 1.800 . 5.000 4.732 4.397 5.135 0.135 2 0 "[ . 1 . 2 .]" 1
435 1 130 LEU H 1 132 SER H 1.800 . 5.000 3.811 3.593 4.013 . 0 0 "[ . 1 . 2 .]" 1
436 1 131 GLU HA 1 132 SER H 1.800 . 4.000 3.483 3.470 3.531 . 0 0 "[ . 1 . 2 .]" 1
437 1 131 GLU QB 1 132 SER H 1.800 . 4.060 2.926 2.652 3.000 . 0 0 "[ . 1 . 2 .]" 1
438 1 131 GLU QG 1 132 SER H 1.800 . 6.300 4.407 3.883 4.731 . 0 0 "[ . 1 . 2 .]" 1
439 1 131 GLU H 1 132 SER H 1.800 . 4.000 2.602 2.455 2.730 . 0 0 "[ . 1 . 2 .]" 1
440 1 132 SER H 1 132 SER HA 1.800 . 3.000 2.879 2.817 2.936 . 0 0 "[ . 1 . 2 .]" 1
441 1 20 GLY H 1 133 TYR QE 1.800 . 6.300 5.339 4.952 6.132 . 0 0 "[ . 1 . 2 .]" 1
442 1 130 LEU MD1 1 133 TYR H 1.800 . 5.200 4.150 3.568 4.264 . 0 0 "[ . 1 . 2 .]" 1
443 1 131 GLU H 1 133 TYR H 1.800 . 5.000 4.561 4.012 4.856 . 0 0 "[ . 1 . 2 .]" 1
444 1 133 TYR H 1 133 TYR HA 1.800 . 3.000 2.881 2.818 2.948 . 0 0 "[ . 1 . 2 .]" 1
445 1 133 TYR H 1 133 TYR QD 1.800 . 5.180 2.989 2.644 3.836 . 0 0 "[ . 1 . 2 .]" 1
446 1 130 LEU MD1 1 134 PHE H 1.800 . 6.400 3.717 2.737 4.014 . 0 0 "[ . 1 . 2 .]" 1
447 1 131 GLU HA 1 134 PHE H 1.800 . 4.000 3.548 3.136 3.904 . 0 0 "[ . 1 . 2 .]" 1
448 1 133 TYR HA 1 134 PHE H 1.800 . 4.000 3.566 3.524 3.608 . 0 0 "[ . 1 . 2 .]" 1
449 1 133 TYR QB 1 134 PHE H 1.800 . 4.060 3.279 2.451 3.544 . 0 0 "[ . 1 . 2 .]" 1
450 1 133 TYR QD 1 134 PHE H 1.800 . 5.180 2.764 2.061 3.241 . 0 0 "[ . 1 . 2 .]" 1
451 1 133 TYR H 1 134 PHE H 1.800 . 4.000 2.673 2.437 2.881 . 0 0 "[ . 1 . 2 .]" 1
452 1 134 PHE H 1 134 PHE HA 1.800 . 3.000 2.835 2.813 2.866 . 0 0 "[ . 1 . 2 .]" 1
453 1 134 PHE H 1 134 PHE QD 1.800 . 4.060 3.199 2.231 3.609 . 0 0 "[ . 1 . 2 .]" 1
454 1 133 TYR H 1 135 GLU H 1.800 . 5.000 4.151 3.800 4.428 . 0 0 "[ . 1 . 2 .]" 1
455 1 134 PHE QD 1 135 GLU H 1.800 . 6.300 4.522 3.748 4.652 . 0 0 "[ . 1 . 2 .]" 1
456 1 134 PHE H 1 135 GLU H 1.800 . 4.000 2.738 2.649 2.870 . 0 0 "[ . 1 . 2 .]" 1
457 1 133 TYR HA 1 136 GLN H 1.800 . 5.000 3.027 2.935 3.194 . 0 0 "[ . 1 . 2 .]" 1
458 1 133 TYR QB 1 136 GLN H 1.800 . 5.060 4.581 4.394 4.667 . 0 0 "[ . 1 . 2 .]" 1
459 1 135 GLU HA 1 136 GLN H 1.800 . 4.000 3.497 3.477 3.548 . 0 0 "[ . 1 . 2 .]" 1
460 1 137 GLY QA 1 138 TYR H 1.800 . 4.060 2.690 2.389 2.920 . 0 0 "[ . 1 . 2 .]" 1
461 1 137 GLY H 1 138 TYR H 1.800 . 3.000 2.633 2.153 2.993 . 0 0 "[ . 1 . 2 .]" 1
462 1 138 TYR H 1 138 TYR HA 1.800 . 3.000 2.819 2.365 3.003 0.003 3 0 "[ . 1 . 2 .]" 1
463 1 138 TYR H 1 138 TYR QD 1.800 . 4.060 3.417 2.276 4.123 0.063 13 0 "[ . 1 . 2 .]" 1
464 1 1 MET HA 1 1 MET HB2 1.800 . 2.700 2.631 2.475 2.764 0.064 10 0 "[ . 1 . 2 .]" 1
465 1 4 THR HA 1 4 THR MG 1.800 . 3.640 2.369 2.248 2.447 . 0 0 "[ . 1 . 2 .]" 1
466 1 5 LEU HA 1 5 LEU MD1 1.800 . 4.640 3.478 3.340 3.611 . 0 0 "[ . 1 . 2 .]" 1
467 1 5 LEU HA 1 5 LEU MD2 1.800 . 6.400 2.281 1.892 3.206 . 0 0 "[ . 1 . 2 .]" 1
468 1 5 LEU QB 1 5 LEU MD2 1.800 . 5.555 2.283 1.908 2.517 . 0 0 "[ . 1 . 2 .]" 1
469 1 5 LEU H 1 5 LEU MD2 1.800 . 6.400 4.240 4.022 4.568 . 0 0 "[ . 1 . 2 .]" 1
470 1 4 THR MG 1 6 LEU MD1 1.800 . 8.000 3.288 1.901 5.261 . 0 0 "[ . 1 . 2 .]" 1
471 1 4 THR MG 1 6 LEU MD2 1.800 . 5.552 3.622 2.905 3.933 . 0 0 "[ . 1 . 2 .]" 1
472 1 6 LEU HA 1 6 LEU MD1 1.800 . 4.360 2.211 1.809 2.958 . 0 0 "[ . 1 . 2 .]" 1
473 1 6 LEU HA 1 6 LEU MD2 1.800 . 4.360 3.227 1.957 3.670 . 0 0 "[ . 1 . 2 .]" 1
474 1 6 LEU MD1 1 6 LEU MD2 1.800 . 4.688 1.944 1.828 2.066 . 0 0 "[ . 1 . 2 .]" 1
475 1 6 LEU MD2 1 7 ALA H 1.800 . 6.400 4.238 3.692 4.583 . 0 0 "[ . 1 . 2 .]" 1
476 1 8 PHE HA 1 8 PHE QD 1.800 . 6.300 3.072 2.201 3.264 . 0 0 "[ . 1 . 2 .]" 1
477 1 8 PHE HA 1 8 PHE QE 1.800 . 6.300 4.742 4.458 4.948 . 0 0 "[ . 1 . 2 .]" 1
478 1 12 THR HA 1 12 THR MG 1.800 . 3.640 2.321 1.983 3.166 . 0 0 "[ . 1 . 2 .]" 1
479 1 10 PHE HA 1 15 ILE HA 1.800 . 5.000 4.606 3.972 4.942 . 0 0 "[ . 1 . 2 .]" 1
480 1 10 PHE QB 1 15 ILE MD 1.800 . 7.850 3.798 3.099 5.320 . 0 0 "[ . 1 . 2 .]" 1
481 1 10 PHE HZ 1 15 ILE MD 1.800 . 4.360 3.784 3.346 3.901 . 0 0 "[ . 1 . 2 .]" 1
482 1 15 ILE HA 1 15 ILE MD 1.800 . 4.360 1.873 1.825 1.999 . 0 0 "[ . 1 . 2 .]" 1
483 1 15 ILE HB 1 15 ILE MD 1.800 . 6.400 3.202 3.185 3.214 . 0 0 "[ . 1 . 2 .]" 1
484 1 15 ILE HA 1 15 ILE QG 1.800 . 6.400 2.859 2.777 2.980 . 0 0 "[ . 1 . 2 .]" 1
485 1 15 ILE MD 1 15 ILE QG 1.800 . 8.000 1.885 1.878 1.890 . 0 0 "[ . 1 . 2 .]" 1
486 1 15 ILE HA 1 15 ILE MG 1.800 . 4.360 2.312 2.203 2.435 . 0 0 "[ . 1 . 2 .]" 1
487 1 8 PHE HA 1 17 VAL HA 1.800 . 5.000 2.454 2.052 2.912 . 0 0 "[ . 1 . 2 .]" 1
488 1 8 PHE HA 1 17 VAL MG1 1.800 . 6.400 2.789 1.725 3.648 0.075 22 0 "[ . 1 . 2 .]" 1
489 1 8 PHE HA 1 17 VAL MG2 1.800 . 6.400 2.019 1.833 2.498 . 0 0 "[ . 1 . 2 .]" 1
490 1 15 ILE MG 1 17 VAL HA 1.800 . 6.400 5.190 5.112 5.256 . 0 0 "[ . 1 . 2 .]" 1
491 1 17 VAL HA 1 17 VAL MG1 1.800 . 4.360 2.852 2.474 3.120 . 0 0 "[ . 1 . 2 .]" 1
492 1 17 VAL HA 1 17 VAL MG2 1.800 . 4.360 2.551 2.102 2.870 . 0 0 "[ . 1 . 2 .]" 1
493 1 7 ALA MB 1 18 ALA HA 1.800 . 6.300 4.780 4.513 5.003 . 0 0 "[ . 1 . 2 .]" 1
494 1 4 THR MG 1 19 VAL MG1 1.800 . 5.552 3.478 3.100 3.742 . 0 0 "[ . 1 . 2 .]" 1
495 1 6 LEU HA 1 19 VAL HA 1.800 . 5.000 2.572 2.173 2.786 . 0 0 "[ . 1 . 2 .]" 1
496 1 6 LEU MD1 1 19 VAL HA 1.800 . 4.360 2.123 1.783 3.496 0.017 1 0 "[ . 1 . 2 .]" 1
497 1 6 LEU MD2 1 19 VAL HA 1.800 . 3.640 3.017 2.552 3.271 . 0 0 "[ . 1 . 2 .]" 1
498 1 6 LEU MD1 1 19 VAL MG1 1.800 . 5.552 2.141 1.618 3.275 0.182 19 0 "[ . 1 . 2 .]" 1
499 1 6 LEU MD2 1 19 VAL MG1 1.800 . 4.688 2.233 1.714 2.651 0.086 1 0 "[ . 1 . 2 .]" 1
500 1 6 LEU HA 1 19 VAL MG2 1.800 . 6.400 4.381 3.737 4.633 . 0 0 "[ . 1 . 2 .]" 1
501 1 6 LEU MD1 1 19 VAL MG2 1.800 . 4.688 2.914 2.158 3.166 . 0 0 "[ . 1 . 2 .]" 1
502 1 6 LEU MD2 1 19 VAL MG2 1.800 . 4.688 2.604 1.672 2.918 0.128 21 0 "[ . 1 . 2 .]" 1
503 1 17 VAL MG2 1 19 VAL MG2 1.800 . 8.000 3.817 2.520 5.212 . 0 0 "[ . 1 . 2 .]" 1
504 1 18 ALA MB 1 19 VAL H 1.800 . 6.300 3.125 2.974 3.250 . 0 0 "[ . 1 . 2 .]" 1
505 1 19 VAL HA 1 19 VAL MG1 1.800 . 4.360 2.364 2.194 2.486 . 0 0 "[ . 1 . 2 .]" 1
506 1 19 VAL HA 1 19 VAL MG2 1.800 . 3.640 2.400 2.199 2.555 . 0 0 "[ . 1 . 2 .]" 1
507 1 19 VAL H 1 19 VAL MG1 1.800 . 6.400 3.767 3.700 3.807 . 0 0 "[ . 1 . 2 .]" 1
508 1 5 LEU MD1 1 20 GLY QA 1.800 . 7.850 2.545 1.794 4.380 0.006 4 0 "[ . 1 . 2 .]" 1
509 1 4 THR HA 1 21 GLN HA 1.800 . 3.300 2.782 2.287 3.060 . 0 0 "[ . 1 . 2 .]" 1
510 1 4 THR MG 1 21 GLN HA 1.800 . 6.400 3.350 2.700 3.833 . 0 0 "[ . 1 . 2 .]" 1
511 1 4 THR HA 1 21 GLN QB 1.800 . 6.300 4.715 4.154 5.067 . 0 0 "[ . 1 . 2 .]" 1
512 1 4 THR HA 1 21 GLN QG 1.800 . 6.300 4.360 3.361 5.642 . 0 0 "[ . 1 . 2 .]" 1
513 1 4 THR MG 1 21 GLN QG 1.800 . 7.850 4.073 2.344 5.762 . 0 0 "[ . 1 . 2 .]" 1
514 1 5 LEU MD1 1 21 GLN HA 1.800 . 6.400 5.010 3.793 5.334 . 0 0 "[ . 1 . 2 .]" 1
515 1 21 GLN HA 1 21 GLN QG 1.800 . 4.396 2.374 1.943 3.393 . 0 0 "[ . 1 . 2 .]" 1
516 1 5 LEU MD2 1 22 ARG QD 1.800 . 5.555 4.000 3.714 4.187 . 0 0 "[ . 1 . 2 .]" 1
517 1 21 GLN HA 1 23 ILE MG 1.800 . 6.400 3.706 3.072 5.088 . 0 0 "[ . 1 . 2 .]" 1
518 1 21 GLN QB 1 23 ILE MG 1.800 . 4.745 2.558 1.861 3.101 . 0 0 "[ . 1 . 2 .]" 1
519 1 21 GLN QG 1 23 ILE MG 1.800 . 5.555 2.933 1.868 3.927 . 0 0 "[ . 1 . 2 .]" 1
520 1 23 ILE HA 1 23 ILE HB 1.800 . 2.700 2.476 2.352 2.838 0.138 9 0 "[ . 1 . 2 .]" 1
521 1 23 ILE HA 1 23 ILE MD 1.800 . 3.640 2.983 2.152 3.273 . 0 0 "[ . 1 . 2 .]" 1
522 1 23 ILE HA 1 23 ILE QG 1.800 . 4.360 2.618 2.194 3.464 . 0 0 "[ . 1 . 2 .]" 1
523 1 23 ILE MD 1 23 ILE QG 1.800 . 4.688 1.878 1.872 1.913 . 0 0 "[ . 1 . 2 .]" 1
524 1 23 ILE HA 1 23 ILE MG 1.800 . 3.640 3.079 2.502 3.201 . 0 0 "[ . 1 . 2 .]" 1
525 1 26 THR HA 1 26 THR HB 1.800 . 2.700 2.780 2.753 2.795 0.095 2 0 "[ . 1 . 2 .]" 1
526 1 26 THR HA 1 26 THR MG 1.800 . 3.640 2.064 1.915 2.134 . 0 0 "[ . 1 . 2 .]" 1
527 1 18 ALA MB 1 27 ALA HA 1.800 . 6.300 4.589 4.413 4.718 . 0 0 "[ . 1 . 2 .]" 1
528 1 18 ALA MB 1 27 ALA MB 1.800 . 4.802 2.758 2.500 2.879 . 0 0 "[ . 1 . 2 .]" 1
529 1 20 GLY QA 1 27 ALA HA 1.800 . 4.396 1.860 1.751 1.938 0.049 2 0 "[ . 1 . 2 .]" 1
530 1 20 GLY QA 1 27 ALA MB 1.800 . 5.558 2.819 2.562 3.018 . 0 0 "[ . 1 . 2 .]" 1
531 1 19 VAL MG2 1 28 ARG QB 1.800 . 5.555 2.931 2.496 3.593 . 0 0 "[ . 1 . 2 .]" 1
532 1 19 VAL MG2 1 28 ARG QD 1.800 . 7.850 4.547 2.960 5.587 . 0 0 "[ . 1 . 2 .]" 1
533 1 19 VAL MG2 1 28 ARG QG 1.800 . 5.555 3.834 2.856 4.167 . 0 0 "[ . 1 . 2 .]" 1
534 1 19 VAL MG1 1 28 ARG QG 1.800 . 5.555 3.707 3.260 4.045 . 0 0 "[ . 1 . 2 .]" 1
535 1 28 ARG HA 1 28 ARG QG 1.800 . 6.300 2.603 1.954 3.305 . 0 0 "[ . 1 . 2 .]" 1
536 1 28 ARG QD 1 28 ARG QG 1.800 . 5.558 2.077 2.032 2.109 . 0 0 "[ . 1 . 2 .]" 1
537 1 18 ALA HA 1 29 PRO HA 1.800 . 5.000 2.621 2.393 2.940 . 0 0 "[ . 1 . 2 .]" 1
538 1 18 ALA MB 1 29 PRO HA 1.800 . 6.300 3.599 3.222 4.091 . 0 0 "[ . 1 . 2 .]" 1
539 1 28 ARG QB 1 29 PRO HA 1.800 . 5.396 4.583 4.433 4.920 . 0 0 "[ . 1 . 2 .]" 1
540 1 28 ARG HA 1 29 PRO QD 1.800 . 6.300 1.919 1.899 1.929 . 0 0 "[ . 1 . 2 .]" 1
541 1 29 PRO QD 1 29 PRO QG 1.800 . 7.700 1.939 1.938 1.941 . 0 0 "[ . 1 . 2 .]" 1
542 1 15 ILE HA 1 30 LEU MD2 1.800 . 5.360 4.583 4.555 4.635 . 0 0 "[ . 1 . 2 .]" 1
543 1 17 VAL MG1 1 30 LEU MD1 1.800 . 4.688 1.755 1.592 1.874 0.208 5 0 "[ . 1 . 2 .]" 1
544 1 17 VAL MG2 1 30 LEU MD1 1.800 . 4.688 2.160 1.611 2.987 0.189 21 0 "[ . 1 . 2 .]" 1
545 1 17 VAL MG2 1 30 LEU MD2 1.800 . 4.688 2.844 2.617 2.968 . 0 0 "[ . 1 . 2 .]" 1
546 1 19 VAL MG2 1 30 LEU MD1 1.800 . 4.688 2.083 1.914 2.233 . 0 0 "[ . 1 . 2 .]" 1
547 1 19 VAL MG2 1 30 LEU HG 1.800 . 3.640 3.242 3.106 3.320 . 0 0 "[ . 1 . 2 .]" 1
548 1 30 LEU HA 1 30 LEU MD1 1.800 . 6.400 3.460 3.432 3.494 . 0 0 "[ . 1 . 2 .]" 1
549 1 30 LEU HA 1 30 LEU MD2 1.800 . 6.400 3.107 3.062 3.167 . 0 0 "[ . 1 . 2 .]" 1
550 1 16 GLY QA 1 32 ALA HA 1.800 . 6.300 3.410 3.304 3.499 . 0 0 "[ . 1 . 2 .]" 1
551 1 10 PHE HA 1 33 ILE MD 1.800 . 4.360 2.895 2.332 3.675 . 0 0 "[ . 1 . 2 .]" 1
552 1 15 ILE HB 1 33 ILE HB 1.800 . 5.000 5.094 5.030 5.134 0.134 2 0 "[ . 1 . 2 .]" 1
553 1 15 ILE HA 1 33 ILE MD 1.800 . 4.360 3.203 2.812 3.357 . 0 0 "[ . 1 . 2 .]" 1
554 1 16 GLY QA 1 33 ILE MD 1.800 . 5.555 2.648 2.285 2.947 . 0 0 "[ . 1 . 2 .]" 1
555 1 32 ALA HA 1 33 ILE HB 1.800 . 5.000 4.122 3.963 4.225 . 0 0 "[ . 1 . 2 .]" 1
556 1 32 ALA HA 1 33 ILE MG 1.800 . 4.360 3.529 3.413 3.712 . 0 0 "[ . 1 . 2 .]" 1
557 1 32 ALA MB 1 33 ILE MG 1.800 . 5.555 3.122 2.966 3.285 . 0 0 "[ . 1 . 2 .]" 1
558 1 33 ILE HA 1 33 ILE MD 1.800 . 3.640 2.928 2.679 3.081 . 0 0 "[ . 1 . 2 .]" 1
559 1 14 SER HA 1 34 LYS HA 1.800 . 3.300 3.432 3.364 3.471 0.171 2 0 "[ . 1 . 2 .]" 1
560 1 14 SER QB 1 34 LYS HA 1.800 . 6.300 4.748 3.803 5.494 . 0 0 "[ . 1 . 2 .]" 1
561 1 14 SER HA 1 34 LYS QB 1.800 . 6.300 5.255 4.820 5.356 . 0 0 "[ . 1 . 2 .]" 1
562 1 15 ILE MD 1 35 ALA HA 1.800 . 6.400 4.841 4.555 5.154 . 0 0 "[ . 1 . 2 .]" 1
563 1 15 ILE MD 1 35 ALA MB 1.800 . 4.745 3.146 3.029 3.271 . 0 0 "[ . 1 . 2 .]" 1
564 1 36 GLN HA 1 36 GLN QG 1.800 . 3.724 2.259 1.921 3.316 . 0 0 "[ . 1 . 2 .]" 1
565 1 35 ALA MB 1 38 GLY QA 1.800 . 7.700 2.947 2.752 3.116 . 0 0 "[ . 1 . 2 .]" 1
566 1 35 ALA HA 1 39 THR MG 1.800 . 6.400 4.713 4.358 5.050 . 0 0 "[ . 1 . 2 .]" 1
567 1 35 ALA MB 1 39 THR MG 1.800 . 7.850 3.890 3.716 4.180 . 0 0 "[ . 1 . 2 .]" 1
568 1 36 GLN HA 1 39 THR MG 1.800 . 6.400 5.300 5.242 5.358 . 0 0 "[ . 1 . 2 .]" 1
569 1 36 GLN QB 1 39 THR MG 1.800 . 7.850 3.068 2.695 4.132 . 0 0 "[ . 1 . 2 .]" 1
570 1 39 THR HA 1 39 THR MG 1.800 . 3.640 2.439 2.384 2.509 . 0 0 "[ . 1 . 2 .]" 1
571 1 15 ILE MD 1 42 TRP QB 1.800 . 7.850 5.553 5.406 5.668 . 0 0 "[ . 1 . 2 .]" 1
572 1 39 THR HA 1 42 TRP QB 1.800 . 6.300 5.313 5.115 5.594 . 0 0 "[ . 1 . 2 .]" 1
573 1 39 THR MG 1 42 TRP QB 1.800 . 4.745 3.541 3.471 3.613 . 0 0 "[ . 1 . 2 .]" 1
574 1 41 ASP QB 1 44 ILE MD 1.800 . 4.745 2.984 2.293 3.510 . 0 0 "[ . 1 . 2 .]" 1
575 1 41 ASP QB 1 44 ILE MG 1.800 . 7.850 2.988 1.974 3.220 . 0 0 "[ . 1 . 2 .]" 1
576 1 44 ILE HA 1 44 ILE MD 1.800 . 3.640 2.540 1.890 2.984 . 0 0 "[ . 1 . 2 .]" 1
577 1 44 ILE HB 1 44 ILE MD 1.800 . 3.640 2.476 2.054 3.186 . 0 0 "[ . 1 . 2 .]" 1
578 1 44 ILE MD 1 44 ILE QG 1.800 . 4.688 1.899 1.873 1.916 . 0 0 "[ . 1 . 2 .]" 1
579 1 44 ILE HA 1 44 ILE MG 1.800 . 3.640 2.519 2.340 2.716 . 0 0 "[ . 1 . 2 .]" 1
580 1 44 ILE QG 1 44 ILE MG 1.800 . 4.688 2.114 1.989 2.309 . 0 0 "[ . 1 . 2 .]" 1
581 1 6 LEU MD2 1 45 ILE MG 1.800 . 4.688 3.002 2.751 3.171 . 0 0 "[ . 1 . 2 .]" 1
582 1 15 ILE MD 1 45 ILE MD 1.800 . 4.688 3.159 3.072 3.247 . 0 0 "[ . 1 . 2 .]" 1
583 1 30 LEU MD1 1 45 ILE MD 1.800 . 5.552 3.055 2.425 3.488 . 0 0 "[ . 1 . 2 .]" 1
584 1 41 ASP HA 1 45 ILE MD 1.800 . 6.400 4.237 4.051 4.439 . 0 0 "[ . 1 . 2 .]" 1
585 1 42 TRP HA 1 45 ILE HB 1.800 . 5.000 3.144 2.762 3.781 . 0 0 "[ . 1 . 2 .]" 1
586 1 42 TRP HA 1 45 ILE MD 1.800 . 6.400 3.129 2.776 3.464 . 0 0 "[ . 1 . 2 .]" 1
587 1 42 TRP QB 1 45 ILE MD 1.800 . 7.850 4.509 4.226 4.797 . 0 0 "[ . 1 . 2 .]" 1
588 1 44 ILE MG 1 45 ILE MD 1.800 . 8.000 3.722 3.071 4.398 . 0 0 "[ . 1 . 2 .]" 1
589 1 45 ILE HA 1 45 ILE MD 1.800 . 4.360 3.800 3.719 3.860 . 0 0 "[ . 1 . 2 .]" 1
590 1 45 ILE HB 1 45 ILE MD 1.800 . 4.360 1.991 1.907 2.038 . 0 0 "[ . 1 . 2 .]" 1
591 1 45 ILE HA 1 45 ILE QG 1.800 . 6.400 2.378 2.308 2.445 . 0 0 "[ . 1 . 2 .]" 1
592 1 45 ILE MD 1 45 ILE QG 1.800 . 4.688 1.878 1.873 1.898 . 0 0 "[ . 1 . 2 .]" 1
593 1 45 ILE QG 1 45 ILE MG 1.800 . 8.000 2.070 1.885 2.190 . 0 0 "[ . 1 . 2 .]" 1
594 1 43 ASN HA 1 46 GLU QB 1.800 . 6.300 2.812 2.677 3.177 . 0 0 "[ . 1 . 2 .]" 1
595 1 44 ILE HA 1 47 ARG QB 1.800 . 6.300 2.982 2.453 3.396 . 0 0 "[ . 1 . 2 .]" 1
596 1 44 ILE HA 1 47 ARG QD 1.800 . 6.300 2.866 1.962 3.891 . 0 0 "[ . 1 . 2 .]" 1
597 1 44 ILE MD 1 47 ARG QD 1.800 . 5.555 3.805 3.408 4.010 . 0 0 "[ . 1 . 2 .]" 1
598 1 44 ILE MG 1 47 ARG QD 1.800 . 7.850 4.322 3.605 4.935 . 0 0 "[ . 1 . 2 .]" 1
599 1 47 ARG HA 1 47 ARG QD 1.800 . 6.300 3.993 3.833 4.106 . 0 0 "[ . 1 . 2 .]" 1
600 1 6 LEU MD2 1 48 LEU QB 1.800 . 7.850 2.711 1.815 4.299 . 0 0 "[ . 1 . 2 .]" 1
601 1 6 LEU MD1 1 48 LEU MD1 1.800 . 4.688 2.879 2.289 3.066 . 0 0 "[ . 1 . 2 .]" 1
602 1 6 LEU MD2 1 48 LEU MD1 1.800 . 4.688 1.758 1.614 2.150 0.186 2 0 "[ . 1 . 2 .]" 1
603 1 6 LEU MD2 1 48 LEU HG 1.800 . 4.360 3.432 2.640 3.770 . 0 0 "[ . 1 . 2 .]" 1
604 1 45 ILE HA 1 48 LEU QB 1.800 . 6.300 2.925 2.409 3.571 . 0 0 "[ . 1 . 2 .]" 1
605 1 45 ILE HA 1 48 LEU MD1 1.800 . 4.360 2.282 1.867 2.827 . 0 0 "[ . 1 . 2 .]" 1
606 1 48 LEU HA 1 48 LEU MD1 1.800 . 4.360 3.699 3.502 3.854 . 0 0 "[ . 1 . 2 .]" 1
607 1 48 LEU QB 1 48 LEU MD1 1.800 . 4.745 2.043 1.899 2.249 . 0 0 "[ . 1 . 2 .]" 1
608 1 48 LEU HA 1 48 LEU MD2 1.800 . 3.640 2.373 1.916 2.712 . 0 0 "[ . 1 . 2 .]" 1
609 1 6 LEU MD2 1 49 LEU HA 1.800 . 6.400 4.587 3.013 5.156 . 0 0 "[ . 1 . 2 .]" 1
610 1 45 ILE QG 1 49 LEU MD1 1.800 . 5.552 4.092 3.965 4.247 . 0 0 "[ . 1 . 2 .]" 1
611 1 45 ILE MG 1 49 LEU MD1 1.800 . 4.688 1.817 1.642 1.922 0.158 2 0 "[ . 1 . 2 .]" 1
612 1 46 GLU HA 1 49 LEU QB 1.800 . 6.300 2.323 1.928 2.972 . 0 0 "[ . 1 . 2 .]" 1
613 1 46 GLU HA 1 49 LEU MD1 1.800 . 4.360 3.024 2.571 3.514 . 0 0 "[ . 1 . 2 .]" 1
614 1 46 GLU HA 1 49 LEU MD2 1.800 . 6.400 3.465 2.921 4.043 . 0 0 "[ . 1 . 2 .]" 1
615 1 49 LEU HA 1 49 LEU MD1 1.800 . 3.640 2.822 2.281 3.027 . 0 0 "[ . 1 . 2 .]" 1
616 1 49 LEU QB 1 49 LEU MD2 1.800 . 5.555 2.014 1.898 2.101 . 0 0 "[ . 1 . 2 .]" 1
617 1 51 GLU HA 1 51 GLU QG 1.800 . 4.396 2.221 1.974 2.588 . 0 0 "[ . 1 . 2 .]" 1
618 1 4 THR MG 1 52 TRP QB 1.800 . 7.850 2.118 1.897 2.553 . 0 0 "[ . 1 . 2 .]" 1
619 1 48 LEU MD1 1 52 TRP HD1 1.800 . 7.850 4.473 4.046 6.486 . 0 0 "[ . 1 . 2 .]" 1
620 1 53 GLN HA 1 53 GLN QG 1.800 . 4.396 2.151 1.919 2.432 . 0 0 "[ . 1 . 2 .]" 1
621 1 4 THR HB 1 54 PRO HA 1.800 . 3.300 2.162 1.919 3.327 0.027 1 0 "[ . 1 . 2 .]" 1
622 1 5 LEU HA 1 54 PRO HA 1.800 . 5.000 3.911 3.428 4.254 . 0 0 "[ . 1 . 2 .]" 1
623 1 5 LEU MD2 1 55 ASP QB 1.800 . 7.850 4.498 4.048 4.688 . 0 0 "[ . 1 . 2 .]" 1
624 1 5 LEU HA 1 56 GLU QB 1.800 . 6.300 3.507 3.116 3.936 . 0 0 "[ . 1 . 2 .]" 1
625 1 56 GLU HA 1 56 GLU QG 1.800 . 4.396 2.117 1.923 2.452 . 0 0 "[ . 1 . 2 .]" 1
626 1 7 ALA HA 1 57 ILE HA 1.800 . 5.000 4.026 3.762 4.296 . 0 0 "[ . 1 . 2 .]" 1
627 1 7 ALA HA 1 57 ILE MG 1.800 . 6.400 3.485 3.217 4.002 . 0 0 "[ . 1 . 2 .]" 1
628 1 8 PHE QD 1 57 ILE MG 1.800 . 5.555 2.606 1.988 4.097 . 0 0 "[ . 1 . 2 .]" 1
629 1 54 PRO QD 1 57 ILE MD 1.800 . 7.850 4.435 3.793 5.334 . 0 0 "[ . 1 . 2 .]" 1
630 1 56 GLU HA 1 57 ILE MD 1.800 . 6.400 2.783 2.379 3.365 . 0 0 "[ . 1 . 2 .]" 1
631 1 57 ILE HA 1 57 ILE MD 1.800 . 4.360 3.205 1.961 3.651 . 0 0 "[ . 1 . 2 .]" 1
632 1 57 ILE HA 1 57 ILE MG 1.800 . 4.360 2.256 2.178 2.340 . 0 0 "[ . 1 . 2 .]" 1
633 1 5 LEU MD2 1 58 ILE MD 1.800 . 4.688 1.872 1.625 2.450 0.175 19 0 "[ . 1 . 2 .]" 1
634 1 6 LEU HA 1 58 ILE MD 1.800 . 6.400 5.159 5.066 5.269 . 0 0 "[ . 1 . 2 .]" 1
635 1 7 ALA HA 1 58 ILE HB 1.800 . 5.000 2.733 2.080 3.444 . 0 0 "[ . 1 . 2 .]" 1
636 1 7 ALA HA 1 58 ILE MD 1.800 . 6.400 3.678 3.552 3.832 . 0 0 "[ . 1 . 2 .]" 1
637 1 7 ALA HA 1 58 ILE MG 1.800 . 6.400 4.147 3.706 4.556 . 0 0 "[ . 1 . 2 .]" 1
638 1 7 ALA MB 1 58 ILE H 1.800 . 6.300 3.585 3.077 3.938 . 0 0 "[ . 1 . 2 .]" 1
639 1 57 ILE MG 1 58 ILE QG 1.800 . 5.552 3.755 3.646 3.843 . 0 0 "[ . 1 . 2 .]" 1
640 1 57 ILE MG 1 58 ILE H 1.800 . 4.360 2.272 2.113 2.459 . 0 0 "[ . 1 . 2 .]" 1
641 1 58 ILE HA 1 58 ILE MD 1.800 . 3.640 2.784 2.535 2.961 . 0 0 "[ . 1 . 2 .]" 1
642 1 58 ILE HB 1 58 ILE MD 1.800 . 3.640 3.184 3.168 3.199 . 0 0 "[ . 1 . 2 .]" 1
643 1 58 ILE MD 1 58 ILE QG 1.800 . 4.688 1.874 1.867 1.887 . 0 0 "[ . 1 . 2 .]" 1
644 1 58 ILE HA 1 58 ILE MG 1.800 . 4.360 2.108 1.922 2.187 . 0 0 "[ . 1 . 2 .]" 1
645 1 58 ILE QG 1 58 ILE MG 1.800 . 5.552 2.356 2.301 2.428 . 0 0 "[ . 1 . 2 .]" 1
646 1 7 ALA MB 1 59 VAL HA 1.800 . 6.300 4.910 4.625 5.238 . 0 0 "[ . 1 . 2 .]" 1
647 1 8 PHE HA 1 59 VAL MG2 1.800 . 6.400 4.278 3.946 4.676 . 0 0 "[ . 1 . 2 .]" 1
648 1 8 PHE QB 1 59 VAL MG2 1.800 . 5.555 1.949 1.759 2.448 0.041 2 0 "[ . 1 . 2 .]" 1
649 1 59 VAL HA 1 59 VAL MG1 1.800 . 3.640 2.711 2.388 3.187 . 0 0 "[ . 1 . 2 .]" 1
650 1 59 VAL HA 1 59 VAL MG2 1.800 . 4.360 2.176 2.001 2.339 . 0 0 "[ . 1 . 2 .]" 1
651 1 9 ASP HA 1 60 GLY QA 1.800 . 6.300 4.106 3.869 4.259 . 0 0 "[ . 1 . 2 .]" 1
652 1 61 LEU HA 1 61 LEU MD1 1.800 . 6.400 3.608 3.393 4.085 . 0 0 "[ . 1 . 2 .]" 1
653 1 65 MET HA 1 65 MET ME 1.800 . 3.724 2.376 1.939 2.977 . 0 0 "[ . 1 . 2 .]" 1
654 1 68 THR HA 1 68 THR MG 1.800 . 3.640 2.573 1.927 3.191 . 0 0 "[ . 1 . 2 .]" 1
655 1 69 GLU HA 1 69 GLU QG 1.800 . 6.300 2.470 1.923 3.345 . 0 0 "[ . 1 . 2 .]" 1
656 1 64 ASN HA 1 70 GLN QG 1.800 . 6.300 4.625 1.958 5.632 . 0 0 "[ . 1 . 2 .]" 1
657 1 70 GLN HA 1 70 GLN QG 1.800 . 6.300 2.842 1.946 3.382 . 0 0 "[ . 1 . 2 .]" 1
658 1 70 GLN HA 1 71 PRO HA 1.800 . 5.000 4.572 4.387 4.680 . 0 0 "[ . 1 . 2 .]" 1
659 1 70 GLN HA 1 71 PRO QD 1.800 . 4.396 2.040 1.943 2.182 . 0 0 "[ . 1 . 2 .]" 1
660 1 70 GLN QB 1 71 PRO QD 1.800 . 7.700 3.490 2.148 3.859 . 0 0 "[ . 1 . 2 .]" 1
661 1 70 GLN QG 1 71 PRO QD 1.800 . 7.700 3.923 3.388 4.289 . 0 0 "[ . 1 . 2 .]" 1
662 1 70 GLN HA 1 71 PRO QG 1.800 . 4.396 3.935 3.851 4.036 . 0 0 "[ . 1 . 2 .]" 1
663 1 70 GLN QG 1 73 THR HA 1.800 . 6.300 5.166 4.338 5.685 . 0 0 "[ . 1 . 2 .]" 1
664 1 73 THR HA 1 73 THR MG 1.800 . 3.640 2.011 1.915 2.149 . 0 0 "[ . 1 . 2 .]" 1
665 1 75 ARG HA 1 75 ARG QD 1.800 . 6.300 3.509 2.174 3.982 . 0 0 "[ . 1 . 2 .]" 1
666 1 61 LEU HA 1 76 ALA MB 1.800 . 6.300 4.761 4.296 5.133 . 0 0 "[ . 1 . 2 .]" 1
667 1 61 LEU MD1 1 76 ALA MB 1.800 . 4.745 2.817 1.659 3.134 0.141 19 0 "[ . 1 . 2 .]" 1
668 1 73 THR HB 1 76 ALA MB 1.800 . 4.396 3.576 3.461 3.616 . 0 0 "[ . 1 . 2 .]" 1
669 1 73 THR MG 1 76 ALA MB 1.800 . 4.745 1.883 1.770 2.009 0.030 10 0 "[ . 1 . 2 .]" 1
670 1 77 ARG HA 1 77 ARG QG 1.800 . 4.396 2.242 1.947 2.486 . 0 0 "[ . 1 . 2 .]" 1
671 1 78 LYS HA 1 78 LYS QD 1.800 . 4.396 3.485 2.405 4.014 . 0 0 "[ . 1 . 2 .]" 1
672 1 59 VAL MG1 1 79 PHE QB 1.800 . 7.850 3.959 2.443 5.177 . 0 0 "[ . 1 . 2 .]" 1
673 1 59 VAL MG2 1 79 PHE QD 1.800 . 7.850 4.453 2.924 5.551 . 0 0 "[ . 1 . 2 .]" 1
674 1 59 VAL MG1 1 79 PHE QD 1.800 . 7.850 3.176 2.363 4.486 . 0 0 "[ . 1 . 2 .]" 1
675 1 59 VAL MG2 1 79 PHE QE 1.800 . 7.850 4.405 3.498 5.657 . 0 0 "[ . 1 . 2 .]" 1
676 1 76 ALA HA 1 79 PHE QB 1.800 . 6.300 2.366 1.936 3.350 . 0 0 "[ . 1 . 2 .]" 1
677 1 76 ALA MB 1 79 PHE QB 1.800 . 5.558 3.680 3.403 4.030 . 0 0 "[ . 1 . 2 .]" 1
678 1 59 VAL MG1 1 80 ALA HA 1.800 . 4.360 2.261 1.865 2.715 . 0 0 "[ . 1 . 2 .]" 1
679 1 59 VAL MG2 1 80 ALA HA 1.800 . 6.400 3.734 3.050 4.251 . 0 0 "[ . 1 . 2 .]" 1
680 1 59 VAL MG1 1 80 ALA MB 1.800 . 4.745 2.441 1.687 2.917 0.113 6 0 "[ . 1 . 2 .]" 1
681 1 12 THR MG 1 79 PHE QB 1.800 . 7.850 4.297 2.803 5.721 . 0 0 "[ . 1 . 2 .]" 1
682 1 12 THR MG 1 79 PHE QE 1.800 . 5.555 2.901 1.825 4.230 . 0 0 "[ . 1 . 2 .]" 1
683 1 82 ARG HA 1 82 ARG QD 1.800 . 4.396 3.137 1.970 3.888 . 0 0 "[ . 1 . 2 .]" 1
684 1 8 PHE QB 1 83 ILE MG 1.800 . 7.850 4.575 4.095 5.042 . 0 0 "[ . 1 . 2 .]" 1
685 1 59 VAL MG1 1 83 ILE MG 1.800 . 4.688 2.861 2.755 2.986 . 0 0 "[ . 1 . 2 .]" 1
686 1 80 ALA HA 1 83 ILE MD 1.800 . 6.400 2.403 1.799 3.422 0.001 13 0 "[ . 1 . 2 .]" 1
687 1 80 ALA HA 1 83 ILE QG 1.800 . 6.400 2.947 2.072 4.972 . 0 0 "[ . 1 . 2 .]" 1
688 1 80 ALA HA 1 83 ILE MG 1.800 . 6.400 3.296 2.284 4.144 . 0 0 "[ . 1 . 2 .]" 1
689 1 83 ILE HB 1 83 ILE MD 1.800 . 3.640 2.510 2.062 3.178 . 0 0 "[ . 1 . 2 .]" 1
690 1 83 ILE HA 1 83 ILE MG 1.800 . 3.640 2.460 2.247 3.078 . 0 0 "[ . 1 . 2 .]" 1
691 1 83 ILE MD 1 84 HIS HA 1.800 . 6.400 4.150 2.465 5.404 . 0 0 "[ . 1 . 2 .]" 1
692 1 86 ARG HA 1 86 ARG QD 1.800 . 6.300 3.051 2.075 3.964 . 0 0 "[ . 1 . 2 .]" 1
693 1 86 ARG QB 1 86 ARG QD 1.800 . 7.700 2.099 1.909 2.368 . 0 0 "[ . 1 . 2 .]" 1
694 1 86 ARG HA 1 86 ARG QG 1.800 . 4.396 2.188 1.920 2.617 . 0 0 "[ . 1 . 2 .]" 1
695 1 49 LEU MD2 1 87 PHE QE 1.800 . 5.555 3.304 2.432 4.124 . 0 0 "[ . 1 . 2 .]" 1
696 1 57 ILE MD 1 87 PHE QB 1.800 . 7.850 5.274 4.744 5.585 . 0 0 "[ . 1 . 2 .]" 1
697 1 57 ILE MD 1 89 VAL HA 1.800 . 6.400 3.987 3.427 4.909 . 0 0 "[ . 1 . 2 .]" 1
698 1 57 ILE MD 1 89 VAL HB 1.800 . 3.640 2.176 1.774 2.973 0.026 9 0 "[ . 1 . 2 .]" 1
699 1 87 PHE QB 1 89 VAL MG1 1.800 . 7.850 1.873 1.771 2.146 0.029 5 0 "[ . 1 . 2 .]" 1
700 1 87 PHE HA 1 89 VAL MG2 1.800 . 6.400 4.930 4.688 5.128 . 0 0 "[ . 1 . 2 .]" 1
701 1 87 PHE QB 1 89 VAL MG2 1.800 . 5.555 2.497 2.048 2.967 . 0 0 "[ . 1 . 2 .]" 1
702 1 89 VAL HA 1 89 VAL HB 1.800 . 2.700 2.484 2.466 2.494 . 0 0 "[ . 1 . 2 .]" 1
703 1 89 VAL HA 1 89 VAL MG1 1.800 . 3.640 2.349 2.221 2.403 . 0 0 "[ . 1 . 2 .]" 1
704 1 89 VAL HA 1 89 VAL MG2 1.800 . 3.640 3.161 3.154 3.169 . 0 0 "[ . 1 . 2 .]" 1
705 1 57 ILE MD 1 91 VAL HA 1.800 . 6.400 3.343 2.461 4.585 . 0 0 "[ . 1 . 2 .]" 1
706 1 59 VAL MG2 1 91 VAL MG2 1.800 . 4.688 2.337 1.703 3.323 0.097 21 0 "[ . 1 . 2 .]" 1
707 1 80 ALA MB 1 91 VAL MG1 1.800 . 5.555 2.615 1.997 3.118 . 0 0 "[ . 1 . 2 .]" 1
708 1 80 ALA HA 1 91 VAL MG2 1.800 . 4.360 3.222 2.863 3.506 . 0 0 "[ . 1 . 2 .]" 1
709 1 80 ALA MB 1 91 VAL MG2 1.800 . 4.745 2.777 2.572 3.016 . 0 0 "[ . 1 . 2 .]" 1
710 1 84 HIS HA 1 91 VAL MG1 1.800 . 4.360 3.105 2.095 3.541 . 0 0 "[ . 1 . 2 .]" 1
711 1 84 HIS QB 1 91 VAL MG1 1.800 . 5.555 1.864 1.772 2.242 0.028 1 0 "[ . 1 . 2 .]" 1
712 1 91 VAL HA 1 91 VAL MG1 1.800 . 3.640 3.169 3.153 3.178 . 0 0 "[ . 1 . 2 .]" 1
713 1 91 VAL HA 1 91 VAL MG2 1.800 . 6.400 2.151 1.969 2.288 . 0 0 "[ . 1 . 2 .]" 1
714 1 77 ARG HA 1 93 LEU MD1 1.800 . 4.360 3.554 3.373 3.719 . 0 0 "[ . 1 . 2 .]" 1
715 1 77 ARG HA 1 93 LEU MD2 1.800 . 4.360 2.412 1.838 3.645 . 0 0 "[ . 1 . 2 .]" 1
716 1 93 LEU HA 1 93 LEU MD1 1.800 . 6.400 3.562 3.271 3.891 . 0 0 "[ . 1 . 2 .]" 1
717 1 93 LEU HA 1 93 LEU MD2 1.800 . 4.360 2.366 1.931 3.458 . 0 0 "[ . 1 . 2 .]" 1
718 1 73 THR MG 1 96 GLU QG 1.800 . 4.745 3.027 2.234 3.539 . 0 0 "[ . 1 . 2 .]" 1
719 1 101 VAL HA 1 101 VAL HB 1.800 . 2.700 2.638 2.601 2.947 0.247 5 0 "[ . 1 . 2 .]" 1
720 1 7 ALA MB 1 126 ALA HA 1.800 . 6.300 3.695 3.006 4.292 . 0 0 "[ . 1 . 2 .]" 1
721 1 8 PHE HA 1 126 ALA HA 1.800 . 5.000 4.472 4.015 4.851 . 0 0 "[ . 1 . 2 .]" 1
722 1 8 PHE HA 1 126 ALA MB 1.800 . 6.300 2.729 2.335 3.013 . 0 0 "[ . 1 . 2 .]" 1
723 1 9 ASP HA 1 126 ALA HA 1.800 . 5.000 4.047 3.777 4.495 . 0 0 "[ . 1 . 2 .]" 1
724 1 9 ASP QB 1 126 ALA HA 1.800 . 6.300 2.240 1.878 3.504 . 0 0 "[ . 1 . 2 .]" 1
725 1 9 ASP HA 1 126 ALA MB 1.800 . 6.300 3.856 3.575 4.110 . 0 0 "[ . 1 . 2 .]" 1
726 1 9 ASP QB 1 126 ALA MB 1.800 . 5.558 1.929 1.798 2.224 0.002 9 0 "[ . 1 . 2 .]" 1
727 1 16 GLY QA 1 126 ALA MB 1.800 . 7.700 3.734 3.355 4.101 . 0 0 "[ . 1 . 2 .]" 1
728 1 17 VAL HA 1 126 ALA MB 1.800 . 4.396 1.778 1.696 1.830 0.104 1 0 "[ . 1 . 2 .]" 1
729 1 17 VAL HB 1 126 ALA MB 1.800 . 6.300 3.680 3.230 4.222 . 0 0 "[ . 1 . 2 .]" 1
730 1 17 VAL MG2 1 126 ALA MB 1.800 . 4.745 3.155 3.043 3.278 . 0 0 "[ . 1 . 2 .]" 1
731 1 18 ALA MB 1 126 ALA MB 1.800 . 4.802 2.031 1.885 2.208 . 0 0 "[ . 1 . 2 .]" 1
732 1 29 PRO HA 1 126 ALA MB 1.800 . 6.300 4.856 4.546 5.033 . 0 0 "[ . 1 . 2 .]" 1
733 1 18 ALA MB 1 127 VAL HA 1.800 . 4.396 1.858 1.793 1.907 0.007 12 0 "[ . 1 . 2 .]" 1
734 1 18 ALA HA 1 127 VAL MG1 1.800 . 4.360 3.497 3.457 3.570 . 0 0 "[ . 1 . 2 .]" 1
735 1 18 ALA HA 1 127 VAL MG2 1.800 . 6.400 4.036 2.724 5.438 . 0 0 "[ . 1 . 2 .]" 1
736 1 18 ALA MB 1 127 VAL MG2 1.800 . 4.745 2.573 1.789 3.415 0.011 9 0 "[ . 1 . 2 .]" 1
737 1 27 ALA MB 1 127 VAL HA 1.800 . 3.724 3.171 3.093 3.287 . 0 0 "[ . 1 . 2 .]" 1
738 1 27 ALA MB 1 127 VAL HB 1.800 . 4.396 3.369 2.774 3.848 . 0 0 "[ . 1 . 2 .]" 1
739 1 27 ALA MB 1 127 VAL MG2 1.800 . 4.745 3.206 2.851 3.387 . 0 0 "[ . 1 . 2 .]" 1
740 1 124 ALA HA 1 127 VAL MG2 1.800 . 4.360 2.725 1.951 3.540 . 0 0 "[ . 1 . 2 .]" 1
741 1 127 VAL HA 1 127 VAL MG1 1.800 . 4.360 2.557 2.015 3.135 . 0 0 "[ . 1 . 2 .]" 1
742 1 127 VAL HA 1 127 VAL MG2 1.800 . 3.640 2.787 2.685 2.903 . 0 0 "[ . 1 . 2 .]" 1
743 1 125 SER HA 1 128 ILE HB 1.800 . 5.000 2.146 1.931 2.381 . 0 0 "[ . 1 . 2 .]" 1
744 1 128 ILE HA 1 128 ILE MD 1.800 . 3.640 2.239 1.886 2.577 . 0 0 "[ . 1 . 2 .]" 1
745 1 128 ILE HB 1 128 ILE MD 1.800 . 3.640 2.616 2.261 3.191 . 0 0 "[ . 1 . 2 .]" 1
746 1 128 ILE HA 1 128 ILE QG 1.800 . 4.360 2.396 2.128 2.774 . 0 0 "[ . 1 . 2 .]" 1
747 1 128 ILE MD 1 128 ILE QG 1.800 . 4.688 1.894 1.875 1.913 . 0 0 "[ . 1 . 2 .]" 1
748 1 128 ILE HA 1 128 ILE MG 1.800 . 3.640 2.729 2.533 2.865 . 0 0 "[ . 1 . 2 .]" 1
749 1 128 ILE MD 1 128 ILE MG 1.800 . 4.688 2.774 1.658 3.239 0.142 3 0 "[ . 1 . 2 .]" 1
750 1 128 ILE QG 1 128 ILE MG 1.800 . 5.552 2.137 2.027 2.368 . 0 0 "[ . 1 . 2 .]" 1
751 1 7 ALA HA 1 129 ILE MG 1.800 . 6.400 3.080 2.392 3.757 . 0 0 "[ . 1 . 2 .]" 1
752 1 7 ALA MB 1 129 ILE MG 1.800 . 4.745 2.039 1.803 2.481 . 0 0 "[ . 1 . 2 .]" 1
753 1 9 ASP HA 1 129 ILE MD 1.800 . 4.360 2.345 1.980 2.896 . 0 0 "[ . 1 . 2 .]" 1
754 1 9 ASP QB 1 129 ILE MD 1.800 . 7.850 2.197 1.762 3.368 0.038 23 0 "[ . 1 . 2 .]" 1
755 1 58 ILE MD 1 129 ILE MG 1.800 . 8.000 3.768 3.536 4.002 . 0 0 "[ . 1 . 2 .]" 1
756 1 58 ILE QG 1 129 ILE MG 1.800 . 4.688 2.690 2.146 3.041 . 0 0 "[ . 1 . 2 .]" 1
757 1 58 ILE MG 1 129 ILE MG 1.800 . 4.688 2.230 1.757 2.836 0.043 21 0 "[ . 1 . 2 .]" 1
758 1 59 VAL HA 1 129 ILE MD 1.800 . 4.360 3.552 3.463 3.627 . 0 0 "[ . 1 . 2 .]" 1
759 1 59 VAL HB 1 129 ILE MG 1.800 . 6.400 5.399 5.304 5.487 . 0 0 "[ . 1 . 2 .]" 1
760 1 60 GLY QA 1 129 ILE MD 1.800 . 5.555 3.560 3.034 4.134 . 0 0 "[ . 1 . 2 .]" 1
761 1 60 GLY QA 1 129 ILE MG 1.800 . 7.850 4.690 4.344 5.451 . 0 0 "[ . 1 . 2 .]" 1
762 1 94 HIS QB 1 129 ILE MG 1.800 . 7.850 2.708 1.888 3.657 . 0 0 "[ . 1 . 2 .]" 1
763 1 125 SER QB 1 129 ILE MD 1.800 . 7.850 3.597 3.217 4.073 . 0 0 "[ . 1 . 2 .]" 1
764 1 126 ALA HA 1 129 ILE HB 1.800 . 5.000 2.202 1.909 2.590 . 0 0 "[ . 1 . 2 .]" 1
765 1 126 ALA HA 1 129 ILE MD 1.800 . 3.640 2.009 1.894 2.204 . 0 0 "[ . 1 . 2 .]" 1
766 1 126 ALA MB 1 129 ILE MD 1.800 . 4.745 3.078 2.956 3.171 . 0 0 "[ . 1 . 2 .]" 1
767 1 129 ILE HA 1 129 ILE MD 1.800 . 4.360 3.811 3.783 3.838 . 0 0 "[ . 1 . 2 .]" 1
768 1 129 ILE HB 1 129 ILE MD 1.800 . 3.640 2.189 2.078 2.306 . 0 0 "[ . 1 . 2 .]" 1
769 1 129 ILE HA 1 129 ILE QG 1.800 . 6.400 2.357 2.297 2.405 . 0 0 "[ . 1 . 2 .]" 1
770 1 129 ILE HA 1 129 ILE MG 1.800 . 4.360 2.554 2.478 2.610 . 0 0 "[ . 1 . 2 .]" 1
771 1 5 LEU MD2 1 130 LEU MD2 1.800 . 4.688 2.972 2.515 3.111 . 0 0 "[ . 1 . 2 .]" 1
772 1 6 LEU HA 1 130 LEU MD2 1.800 . 6.400 2.811 2.558 3.978 . 0 0 "[ . 1 . 2 .]" 1
773 1 7 ALA MB 1 130 LEU HA 1.800 . 6.300 2.016 1.808 3.306 . 0 0 "[ . 1 . 2 .]" 1
774 1 7 ALA MB 1 130 LEU MD1 1.800 . 4.745 3.292 3.158 3.400 . 0 0 "[ . 1 . 2 .]" 1
775 1 7 ALA HA 1 130 LEU MD2 1.800 . 6.400 3.499 3.252 3.868 . 0 0 "[ . 1 . 2 .]" 1
776 1 7 ALA MB 1 130 LEU MD2 1.800 . 5.555 1.625 1.569 1.693 0.231 23 0 "[ . 1 . 2 .]" 1
777 1 18 ALA MB 1 130 LEU MD1 1.800 . 5.555 3.878 3.818 4.011 . 0 0 "[ . 1 . 2 .]" 1
778 1 18 ALA MB 1 130 LEU MD2 1.800 . 4.745 2.528 2.018 2.999 . 0 0 "[ . 1 . 2 .]" 1
779 1 20 GLY QA 1 130 LEU MD1 1.800 . 7.850 2.407 2.017 2.873 . 0 0 "[ . 1 . 2 .]" 1
780 1 20 GLY QA 1 130 LEU MD2 1.800 . 7.850 2.063 1.845 3.315 . 0 0 "[ . 1 . 2 .]" 1
781 1 27 ALA HA 1 130 LEU MD1 1.800 . 6.400 3.631 3.343 4.278 . 0 0 "[ . 1 . 2 .]" 1
782 1 27 ALA MB 1 130 LEU MD1 1.800 . 4.745 2.240 1.839 2.731 . 0 0 "[ . 1 . 2 .]" 1
783 1 27 ALA HA 1 130 LEU MD2 1.800 . 6.400 4.085 3.901 4.633 . 0 0 "[ . 1 . 2 .]" 1
784 1 27 ALA MB 1 130 LEU MD2 1.800 . 4.745 3.212 3.099 3.273 . 0 0 "[ . 1 . 2 .]" 1
785 1 58 ILE MD 1 130 LEU HA 1.800 . 6.400 3.960 3.836 4.227 . 0 0 "[ . 1 . 2 .]" 1
786 1 58 ILE MD 1 130 LEU MD2 1.800 . 5.552 3.668 3.616 3.764 . 0 0 "[ . 1 . 2 .]" 1
787 1 127 VAL HA 1 130 LEU MD1 1.800 . 6.400 3.967 3.731 4.317 . 0 0 "[ . 1 . 2 .]" 1
788 1 130 LEU HA 1 130 LEU MD1 1.800 . 6.400 2.384 2.029 2.610 . 0 0 "[ . 1 . 2 .]" 1
789 1 130 LEU HA 1 130 LEU MD2 1.800 . 3.640 1.978 1.766 2.150 0.034 13 0 "[ . 1 . 2 .]" 1
790 1 131 GLU HA 1 131 GLU QG 1.800 . 6.300 2.169 1.964 2.335 . 0 0 "[ . 1 . 2 .]" 1
791 1 129 ILE HA 1 132 SER QB 1.800 . 6.300 2.452 1.897 2.999 . 0 0 "[ . 1 . 2 .]" 1
792 1 5 LEU MD2 1 133 TYR HA 1.800 . 6.400 5.299 4.973 5.404 . 0 0 "[ . 1 . 2 .]" 1
793 1 5 LEU MD1 1 133 TYR QE 1.800 . 5.555 2.139 1.953 3.694 . 0 0 "[ . 1 . 2 .]" 1
794 1 5 LEU MD2 1 133 TYR QE 1.800 . 4.745 3.265 2.295 3.812 . 0 0 "[ . 1 . 2 .]" 1
795 1 58 ILE MG 1 133 TYR HA 1.800 . 6.400 4.194 3.533 5.089 . 0 0 "[ . 1 . 2 .]" 1
796 1 58 ILE MD 1 133 TYR QB 1.800 . 7.850 2.077 1.822 2.649 . 0 0 "[ . 1 . 2 .]" 1
797 1 58 ILE MG 1 133 TYR QB 1.800 . 5.555 2.798 2.389 3.399 . 0 0 "[ . 1 . 2 .]" 1
798 1 58 ILE MD 1 133 TYR QD 1.800 . 7.850 2.813 2.002 3.213 . 0 0 "[ . 1 . 2 .]" 1
799 1 58 ILE MD 1 133 TYR QE 1.800 . 5.555 4.066 3.241 4.458 . 0 0 "[ . 1 . 2 .]" 1
800 1 130 LEU MD2 1 133 TYR QB 1.800 . 7.850 4.230 3.189 5.101 . 0 0 "[ . 1 . 2 .]" 1
801 1 130 LEU MD2 1 133 TYR QE 1.800 . 7.850 2.920 1.740 4.883 0.060 13 0 "[ . 1 . 2 .]" 1
802 1 133 TYR HA 1 133 TYR QE 1.800 . 6.300 5.438 4.976 5.615 . 0 0 "[ . 1 . 2 .]" 1
803 1 5 LEU MD1 1 134 PHE HZ 1.800 . 4.360 3.550 3.320 3.659 . 0 0 "[ . 1 . 2 .]" 1
804 1 130 LEU MD1 1 134 PHE QE 1.800 . 7.850 1.990 1.764 3.149 0.036 5 0 "[ . 1 . 2 .]" 1
805 1 130 LEU MD1 1 134 PHE HZ 1.800 . 6.400 3.143 1.892 5.178 . 0 0 "[ . 1 . 2 .]" 1
806 1 131 GLU HA 1 134 PHE QB 1.800 . 6.300 2.677 1.975 3.892 . 0 0 "[ . 1 . 2 .]" 1
807 1 132 SER HA 1 135 GLU QB 1.800 . 4.396 3.045 2.665 3.540 . 0 0 "[ . 1 . 2 .]" 1
808 1 133 TYR HA 1 136 GLN QB 1.800 . 6.300 2.332 1.925 2.757 . 0 0 "[ . 1 . 2 .]" 1
809 1 133 TYR HA 1 136 GLN QG 1.800 . 6.300 3.540 1.921 4.757 . 0 0 "[ . 1 . 2 .]" 1
810 1 136 GLN HA 1 136 GLN QG 1.800 . 4.396 2.347 1.935 3.362 . 0 0 "[ . 1 . 2 .]" 1
811 1 6 LEU MD1 1 7 ALA H 1.800 . 6.400 3.235 1.747 4.697 0.053 6 0 "[ . 1 . 2 .]" 1
812 1 7 ALA MB 1 8 PHE H 1.800 . 4.396 3.260 3.128 3.331 . 0 0 "[ . 1 . 2 .]" 1
813 1 16 GLY H 1 17 VAL MG2 1.800 . 6.400 4.206 2.586 5.412 . 0 0 "[ . 1 . 2 .]" 1
814 1 17 VAL MG2 1 18 ALA H 1.800 . 4.360 2.664 1.852 3.625 . 0 0 "[ . 1 . 2 .]" 1
815 1 5 LEU H 1 21 GLN H 1.800 . 5.000 4.578 4.257 4.802 . 0 0 "[ . 1 . 2 .]" 1
816 1 23 ILE H 1 23 ILE MG 1.800 . 3.640 2.184 1.836 2.976 . 0 0 "[ . 1 . 2 .]" 1
817 1 19 VAL MG2 1 28 ARG H 1.800 . 7.600 4.242 4.009 4.674 . 0 0 "[ . 1 . 2 .]" 1
818 1 17 VAL MG2 1 30 LEU H 1.800 . 6.400 4.381 3.562 5.359 . 0 0 "[ . 1 . 2 .]" 1
819 1 15 ILE H 1 33 ILE MD 1.800 . 6.400 3.086 2.951 3.480 . 0 0 "[ . 1 . 2 .]" 1
820 1 15 ILE H 1 35 ALA MB 1.800 . 6.300 3.718 3.295 3.917 . 0 0 "[ . 1 . 2 .]" 1
821 1 15 ILE MD 1 35 ALA H 1.800 . 6.400 5.107 4.962 5.320 . 0 0 "[ . 1 . 2 .]" 1
822 1 35 ALA MB 1 36 GLN H 1.800 . 4.396 2.698 2.640 2.776 . 0 0 "[ . 1 . 2 .]" 1
823 1 44 ILE MG 1 45 ILE H 1.800 . 6.400 2.912 2.634 3.414 . 0 0 "[ . 1 . 2 .]" 1
824 1 45 ILE H 1 45 ILE MD 1.800 . 3.640 2.865 2.261 3.082 . 0 0 "[ . 1 . 2 .]" 1
825 1 45 ILE MG 1 46 GLU HA 1.800 . 6.400 3.631 3.314 3.919 . 0 0 "[ . 1 . 2 .]" 1
826 1 48 LEU MD1 1 52 TRP HE1 1.800 . 7.850 5.637 4.380 6.095 . 0 0 "[ . 1 . 2 .]" 1
827 1 57 ILE H 1 57 ILE MG 1.800 . 6.400 3.875 3.814 3.929 . 0 0 "[ . 1 . 2 .]" 1
828 1 57 ILE H 1 58 ILE MD 1.800 . 6.400 3.491 3.218 3.722 . 0 0 "[ . 1 . 2 .]" 1
829 1 58 ILE H 1 58 ILE MD 1.800 . 4.360 2.536 2.140 2.794 . 0 0 "[ . 1 . 2 .]" 1
830 1 59 VAL H 1 59 VAL MG1 1.800 . 6.400 3.263 2.026 3.839 . 0 0 "[ . 1 . 2 .]" 1
831 1 59 VAL H 1 59 VAL MG2 1.800 . 6.400 3.305 2.766 3.927 . 0 0 "[ . 1 . 2 .]" 1
832 1 59 VAL MG2 1 60 GLY H 1.800 . 6.400 3.205 1.950 3.867 . 0 0 "[ . 1 . 2 .]" 1
833 1 73 THR MG 1 76 ALA H 1.800 . 4.360 3.557 3.408 3.648 . 0 0 "[ . 1 . 2 .]" 1
834 1 76 ALA MB 1 78 LYS H 1.800 . 5.396 4.504 4.447 4.560 . 0 0 "[ . 1 . 2 .]" 1
835 1 59 VAL MG1 1 79 PHE QE 1.800 . 7.850 3.722 1.850 5.858 . 0 0 "[ . 1 . 2 .]" 1
836 1 59 VAL MG1 1 80 ALA H 1.800 . 6.400 3.686 2.823 4.157 . 0 0 "[ . 1 . 2 .]" 1
837 1 59 VAL H 1 83 ILE MD 1.800 . 6.400 4.552 4.119 5.245 . 0 0 "[ . 1 . 2 .]" 1
838 1 87 PHE H 1 89 VAL MG1 1.800 . 6.400 3.882 3.695 4.014 . 0 0 "[ . 1 . 2 .]" 1
839 1 87 PHE H 1 89 VAL MG2 1.800 . 4.360 3.391 3.314 3.465 . 0 0 "[ . 1 . 2 .]" 1
840 1 88 GLY H 1 89 VAL MG2 1.800 . 4.360 3.425 3.287 3.508 . 0 0 "[ . 1 . 2 .]" 1
841 1 89 VAL H 1 89 VAL MG1 1.800 . 3.640 2.499 2.216 2.709 . 0 0 "[ . 1 . 2 .]" 1
842 1 89 VAL MG1 1 90 GLU H 1.800 . 4.640 3.873 3.839 3.898 . 0 0 "[ . 1 . 2 .]" 1
843 1 58 ILE MD 1 92 LYS H 1.800 . 6.400 4.249 3.774 4.924 . 0 0 "[ . 1 . 2 .]" 1
844 1 93 LEU H 1 93 LEU MD2 1.800 . 6.400 3.769 1.841 4.384 . 0 0 "[ . 1 . 2 .]" 1
845 1 59 VAL H 1 129 ILE MG 1.800 . 6.400 4.026 3.781 4.434 . 0 0 "[ . 1 . 2 .]" 1
846 1 7 ALA MB 1 130 LEU H 1.800 . 6.300 2.593 2.228 3.767 . 0 0 "[ . 1 . 2 .]" 1
847 1 129 ILE MG 1 130 LEU H 1.800 . 6.400 3.294 3.048 3.420 . 0 0 "[ . 1 . 2 .]" 1
848 1 129 ILE MG 1 131 GLU H 1.800 . 6.400 5.006 4.706 5.221 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 106
_Distance_constraint_stats_list.Viol_count 732
_Distance_constraint_stats_list.Viol_total 1917.782
_Distance_constraint_stats_list.Viol_max 0.495
_Distance_constraint_stats_list.Viol_rms 0.0739
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0289
_Distance_constraint_stats_list.Viol_average_violations_only 0.1048
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 5.166 0.286 22 0 "[ . 1 . 2 .]"
1 4 THR 2.785 0.302 1 0 "[ . 1 . 2 .]"
1 5 LEU 0.275 0.054 22 0 "[ . 1 . 2 .]"
1 6 LEU 0.009 0.004 1 0 "[ . 1 . 2 .]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 PHE 1.132 0.083 5 0 "[ . 1 . 2 .]"
1 9 ASP 3.724 0.231 1 0 "[ . 1 . 2 .]"
1 10 PHE 8.985 0.295 21 0 "[ . 1 . 2 .]"
1 11 GLY 4.066 0.141 10 0 "[ . 1 . 2 .]"
1 14 SER 4.066 0.141 10 0 "[ . 1 . 2 .]"
1 15 ILE 20.780 0.495 1 0 "[ . 1 . 2 .]"
1 16 GLY 3.724 0.231 1 0 "[ . 1 . 2 .]"
1 17 VAL 13.516 0.318 5 0 "[ . 1 . 2 .]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 VAL 1.466 0.085 22 0 "[ . 1 . 2 .]"
1 20 GLY 0.275 0.054 22 0 "[ . 1 . 2 .]"
1 21 GLN 3.765 0.200 23 0 "[ . 1 . 2 .]"
1 22 ARG 5.166 0.286 22 0 "[ . 1 . 2 .]"
1 26 THR 3.765 0.200 23 0 "[ . 1 . 2 .]"
1 28 ARG 1.466 0.085 22 0 "[ . 1 . 2 .]"
1 30 LEU 13.516 0.318 5 0 "[ . 1 . 2 .]"
1 33 ILE 20.780 0.495 1 0 "[ . 1 . 2 .]"
1 42 TRP 0.042 0.021 10 0 "[ . 1 . 2 .]"
1 43 ASN 0.666 0.075 19 0 "[ . 1 . 2 .]"
1 44 ILE 0.394 0.050 10 0 "[ . 1 . 2 .]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 GLU 0.071 0.021 10 0 "[ . 1 . 2 .]"
1 47 ARG 0.841 0.075 19 0 "[ . 1 . 2 .]"
1 48 LEU 0.394 0.050 10 0 "[ . 1 . 2 .]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 LYS 0.029 0.014 3 0 "[ . 1 . 2 .]"
1 51 GLU 0.175 0.057 4 0 "[ . 1 . 2 .]"
1 56 GLU 2.793 0.302 1 0 "[ . 1 . 2 .]"
1 57 ILE 0.671 0.064 2 0 "[ . 1 . 2 .]"
1 58 ILE 1.115 0.083 5 0 "[ . 1 . 2 .]"
1 59 VAL 1.243 0.102 1 0 "[ . 1 . 2 .]"
1 60 GLY 3.270 0.230 13 0 "[ . 1 . 2 .]"
1 61 LEU 5.733 0.295 21 0 "[ . 1 . 2 .]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 74 ALA 1.223 0.120 2 0 "[ . 1 . 2 .]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 ALA 0.118 0.080 2 0 "[ . 1 . 2 .]"
1 77 ARG 1.045 0.105 5 0 "[ . 1 . 2 .]"
1 78 LYS 1.598 0.120 2 0 "[ . 1 . 2 .]"
1 79 PHE 0.206 0.049 19 0 "[ . 1 . 2 .]"
1 80 ALA 0.130 0.080 2 0 "[ . 1 . 2 .]"
1 81 ASN 1.110 0.105 5 0 "[ . 1 . 2 .]"
1 82 ARG 0.375 0.053 5 0 "[ . 1 . 2 .]"
1 83 ILE 0.362 0.049 19 0 "[ . 1 . 2 .]"
1 84 HIS 0.011 0.006 21 0 "[ . 1 . 2 .]"
1 85 GLY 0.065 0.033 3 0 "[ . 1 . 2 .]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 87 PHE 0.156 0.046 14 0 "[ . 1 . 2 .]"
1 90 GLU 0.671 0.064 2 0 "[ . 1 . 2 .]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 94 HIS 1.243 0.102 1 0 "[ . 1 . 2 .]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 125 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 126 ALA 0.656 0.068 1 0 "[ . 1 . 2 .]"
1 127 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 128 ILE 0.103 0.060 2 0 "[ . 1 . 2 .]"
1 129 ILE 1.799 0.152 10 0 "[ . 1 . 2 .]"
1 130 LEU 2.721 0.153 5 0 "[ . 1 . 2 .]"
1 131 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 132 SER 0.103 0.060 2 0 "[ . 1 . 2 .]"
1 133 TYR 1.799 0.152 10 0 "[ . 1 . 2 .]"
1 134 PHE 2.065 0.153 5 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 PHE N 1 60 GLY O 3.300 2.500 3.500 3.242 3.052 3.475 . 0 0 "[ . 1 . 2 .]" 2
2 1 10 PHE H 1 60 GLY O 2.300 . 2.500 2.630 2.518 2.730 0.230 13 0 "[ . 1 . 2 .]" 2
3 1 10 PHE O 1 61 LEU N 3.300 2.500 3.500 2.804 2.622 3.051 . 0 0 "[ . 1 . 2 .]" 2
4 1 10 PHE O 1 61 LEU H 2.300 . 2.500 2.729 2.607 2.795 0.295 21 0 "[ . 1 . 2 .]" 2
5 1 21 GLN O 1 26 THR N 3.300 2.500 3.500 3.428 3.391 3.490 . 0 0 "[ . 1 . 2 .]" 2
6 1 21 GLN O 1 26 THR H 2.300 . 2.500 2.651 2.624 2.700 0.200 23 0 "[ . 1 . 2 .]" 2
7 1 21 GLN N 1 26 THR O 3.300 2.500 3.500 2.701 2.516 2.874 . 0 0 "[ . 1 . 2 .]" 2
8 1 21 GLN H 1 26 THR O 2.300 . 2.500 1.734 1.541 1.994 . 0 0 "[ . 1 . 2 .]" 2
9 1 11 GLY O 1 14 SER N 3.300 2.500 3.500 3.208 2.742 3.529 0.029 19 0 "[ . 1 . 2 .]" 2
10 1 11 GLY O 1 14 SER H 2.300 . 2.500 2.417 2.041 2.585 0.085 10 0 "[ . 1 . 2 .]" 2
11 1 11 GLY N 1 14 SER O 3.300 2.500 3.500 3.530 3.424 3.576 0.076 23 0 "[ . 1 . 2 .]" 2
12 1 11 GLY H 1 14 SER O 2.300 . 2.500 2.591 2.514 2.641 0.141 10 0 "[ . 1 . 2 .]" 2
13 1 3 GLY O 1 22 ARG N 3.300 2.500 3.500 3.296 3.205 3.411 . 0 0 "[ . 1 . 2 .]" 2
14 1 3 GLY O 1 22 ARG H 2.300 . 2.500 2.582 2.469 2.639 0.139 14 0 "[ . 1 . 2 .]" 2
15 1 3 GLY N 1 22 ARG O 3.300 2.500 3.500 3.257 3.043 3.374 . 0 0 "[ . 1 . 2 .]" 2
16 1 3 GLY H 1 22 ARG O 2.300 . 2.500 2.622 2.542 2.786 0.286 22 0 "[ . 1 . 2 .]" 2
17 1 4 THR O 1 56 GLU N 3.300 2.500 3.500 3.480 3.402 3.648 0.148 1 0 "[ . 1 . 2 .]" 2
18 1 4 THR O 1 56 GLU H 2.300 . 2.500 2.595 2.504 2.802 0.302 1 0 "[ . 1 . 2 .]" 2
19 1 15 ILE N 1 33 ILE O 3.300 2.500 3.500 3.610 3.543 3.650 0.150 1 0 "[ . 1 . 2 .]" 2
20 1 15 ILE H 1 33 ILE O 2.300 . 2.500 2.745 2.719 2.764 0.264 14 0 "[ . 1 . 2 .]" 2
21 1 15 ILE O 1 33 ILE N 3.300 2.500 3.500 2.533 2.502 2.560 . 0 0 "[ . 1 . 2 .]" 2
22 1 15 ILE O 1 33 ILE H 2.300 . 2.500 2.975 2.956 2.995 0.495 1 0 "[ . 1 . 2 .]" 2
23 1 73 THR O 1 77 ARG N 3.300 2.500 3.500 3.044 2.792 3.251 . 0 0 "[ . 1 . 2 .]" 2
24 1 73 THR O 1 77 ARG H 2.300 . 2.500 2.130 1.854 2.355 . 0 0 "[ . 1 . 2 .]" 2
25 1 74 ALA O 1 78 LYS N 3.300 2.500 3.500 3.492 3.206 3.522 0.022 4 0 "[ . 1 . 2 .]" 2
26 1 74 ALA O 1 78 LYS H 2.300 . 2.500 2.531 2.266 2.620 0.120 2 0 "[ . 1 . 2 .]" 2
27 1 75 ARG O 1 79 PHE N 3.300 2.500 3.500 2.725 2.507 3.292 . 0 0 "[ . 1 . 2 .]" 2
28 1 75 ARG O 1 79 PHE H 2.300 . 2.500 1.962 1.717 2.487 . 0 0 "[ . 1 . 2 .]" 2
29 1 76 ALA O 1 80 ALA N 3.300 2.500 3.500 3.174 2.938 3.493 . 0 0 "[ . 1 . 2 .]" 2
30 1 76 ALA O 1 80 ALA H 2.300 . 2.500 2.272 2.029 2.580 0.080 2 0 "[ . 1 . 2 .]" 2
31 1 77 ARG O 1 81 ASN N 3.300 2.500 3.500 3.411 3.234 3.470 . 0 0 "[ . 1 . 2 .]" 2
32 1 77 ARG O 1 81 ASN H 2.300 . 2.500 2.536 2.362 2.605 0.105 5 0 "[ . 1 . 2 .]" 2
33 1 78 LYS O 1 82 ARG N 3.300 2.500 3.500 3.147 2.573 3.280 . 0 0 "[ . 1 . 2 .]" 2
34 1 78 LYS O 1 82 ARG H 2.300 . 2.500 2.433 1.822 2.553 0.053 5 0 "[ . 1 . 2 .]" 2
35 1 79 PHE O 1 83 ILE N 3.300 2.500 3.500 3.320 2.768 3.451 . 0 0 "[ . 1 . 2 .]" 2
36 1 79 PHE O 1 83 ILE H 2.300 . 2.500 2.414 1.832 2.549 0.049 19 0 "[ . 1 . 2 .]" 2
37 1 80 ALA O 1 84 HIS N 3.300 2.500 3.500 3.146 2.709 3.381 . 0 0 "[ . 1 . 2 .]" 2
38 1 80 ALA O 1 84 HIS H 2.300 . 2.500 2.278 1.772 2.506 0.006 21 0 "[ . 1 . 2 .]" 2
39 1 81 ASN O 1 85 GLY N 3.300 2.500 3.500 3.266 2.932 3.484 . 0 0 "[ . 1 . 2 .]" 2
40 1 81 ASN O 1 85 GLY H 2.300 . 2.500 2.303 1.954 2.533 0.033 3 0 "[ . 1 . 2 .]" 2
41 1 82 ARG O 1 86 ARG N 3.300 2.500 3.500 2.939 2.656 3.239 . 0 0 "[ . 1 . 2 .]" 2
42 1 82 ARG O 1 86 ARG H 2.300 . 2.500 2.175 1.885 2.466 . 0 0 "[ . 1 . 2 .]" 2
43 1 83 ILE O 1 87 PHE N 3.300 2.500 3.500 3.331 2.855 3.476 . 0 0 "[ . 1 . 2 .]" 2
44 1 83 ILE O 1 87 PHE H 2.300 . 2.500 2.399 1.896 2.546 0.046 14 0 "[ . 1 . 2 .]" 2
45 1 42 TRP O 1 46 GLU N 3.300 2.500 3.500 3.198 3.058 3.322 . 0 0 "[ . 1 . 2 .]" 2
46 1 42 TRP O 1 46 GLU H 2.300 . 2.500 2.385 2.228 2.521 0.021 10 0 "[ . 1 . 2 .]" 2
47 1 43 ASN O 1 47 ARG N 3.300 2.500 3.500 3.351 3.180 3.477 . 0 0 "[ . 1 . 2 .]" 2
48 1 43 ASN O 1 47 ARG H 2.300 . 2.500 2.498 2.330 2.575 0.075 19 0 "[ . 1 . 2 .]" 2
49 1 44 ILE O 1 48 LEU N 3.300 2.500 3.500 3.398 3.131 3.499 . 0 0 "[ . 1 . 2 .]" 2
50 1 44 ILE O 1 48 LEU H 2.300 . 2.500 2.473 2.156 2.550 0.050 10 0 "[ . 1 . 2 .]" 2
51 1 45 ILE O 1 49 LEU N 3.300 2.500 3.500 2.904 2.529 3.182 . 0 0 "[ . 1 . 2 .]" 2
52 1 45 ILE O 1 49 LEU H 2.300 . 2.500 2.034 1.607 2.247 . 0 0 "[ . 1 . 2 .]" 2
53 1 46 GLU O 1 50 LYS N 3.300 2.500 3.500 3.042 2.756 3.455 . 0 0 "[ . 1 . 2 .]" 2
54 1 46 GLU O 1 50 LYS H 2.300 . 2.500 2.080 1.781 2.514 0.014 3 0 "[ . 1 . 2 .]" 2
55 1 47 ARG O 1 51 GLU N 3.300 2.500 3.500 3.048 2.636 3.441 . 0 0 "[ . 1 . 2 .]" 2
56 1 47 ARG O 1 51 GLU H 2.300 . 2.500 2.218 1.811 2.557 0.057 4 0 "[ . 1 . 2 .]" 2
57 1 124 ALA O 1 128 ILE N 3.300 2.500 3.500 2.719 2.550 2.924 . 0 0 "[ . 1 . 2 .]" 2
58 1 124 ALA O 1 128 ILE H 2.300 . 2.500 1.908 1.705 2.151 . 0 0 "[ . 1 . 2 .]" 2
59 1 125 SER O 1 129 ILE N 3.300 2.500 3.500 2.851 2.552 3.103 . 0 0 "[ . 1 . 2 .]" 2
60 1 125 SER O 1 129 ILE H 2.300 . 2.500 2.017 1.691 2.285 . 0 0 "[ . 1 . 2 .]" 2
61 1 126 ALA O 1 130 LEU N 3.300 2.500 3.500 2.500 2.432 2.636 0.068 1 0 "[ . 1 . 2 .]" 2
62 1 126 ALA O 1 130 LEU H 2.300 . 2.500 1.567 1.472 1.730 0.028 1 0 "[ . 1 . 2 .]" 2
63 1 127 VAL O 1 131 GLU N 3.300 2.500 3.500 2.623 2.513 3.110 . 0 0 "[ . 1 . 2 .]" 2
64 1 127 VAL O 1 131 GLU H 2.300 . 2.500 1.773 1.540 2.350 . 0 0 "[ . 1 . 2 .]" 2
65 1 128 ILE O 1 132 SER N 3.300 2.500 3.500 2.958 2.527 3.411 . 0 0 "[ . 1 . 2 .]" 2
66 1 128 ILE O 1 132 SER H 2.300 . 2.500 2.242 1.836 2.560 0.060 2 0 "[ . 1 . 2 .]" 2
67 1 129 ILE O 1 133 TYR N 3.300 2.500 3.500 3.403 3.099 3.509 0.009 12 0 "[ . 1 . 2 .]" 2
68 1 129 ILE O 1 133 TYR H 2.300 . 2.500 2.547 2.287 2.652 0.152 10 0 "[ . 1 . 2 .]" 2
69 1 130 LEU O 1 134 PHE N 3.300 2.500 3.500 3.487 2.679 3.575 0.075 5 0 "[ . 1 . 2 .]" 2
70 1 130 LEU O 1 134 PHE H 2.300 . 2.500 2.527 1.750 2.653 0.153 5 0 "[ . 1 . 2 .]" 2
71 1 19 VAL O 1 28 ARG N 3.300 2.500 3.500 2.452 2.415 2.484 0.085 22 0 "[ . 1 . 2 .]" 2
72 1 19 VAL O 1 28 ARG H 2.300 . 2.500 1.616 1.457 1.761 0.043 9 0 "[ . 1 . 2 .]" 2
73 1 19 VAL N 1 28 ARG O 3.300 2.500 3.500 2.569 2.462 2.766 0.038 13 0 "[ . 1 . 2 .]" 2
74 1 19 VAL H 1 28 ARG O 2.300 . 2.500 1.636 1.503 1.882 . 0 0 "[ . 1 . 2 .]" 2
75 1 17 VAL O 1 30 LEU N 3.300 2.500 3.500 2.512 2.471 2.601 0.029 6 0 "[ . 1 . 2 .]" 2
76 1 17 VAL O 1 30 LEU H 2.300 . 2.500 1.648 1.602 1.747 . 0 0 "[ . 1 . 2 .]" 2
77 1 17 VAL N 1 30 LEU O 3.300 2.500 3.500 3.735 3.702 3.777 0.277 3 0 "[ . 1 . 2 .]" 2
78 1 17 VAL H 1 30 LEU O 2.300 . 2.500 2.800 2.776 2.818 0.318 5 0 "[ . 1 . 2 .]" 2
79 1 9 ASP N 1 16 GLY O 3.300 2.500 3.500 2.734 2.505 2.980 . 0 0 "[ . 1 . 2 .]" 2
80 1 9 ASP H 1 16 GLY O 2.300 . 2.500 1.945 1.671 2.261 . 0 0 "[ . 1 . 2 .]" 2
81 1 9 ASP O 1 16 GLY N 3.300 2.500 3.500 3.403 3.328 3.495 . 0 0 "[ . 1 . 2 .]" 2
82 1 9 ASP O 1 16 GLY H 2.300 . 2.500 2.645 2.459 2.731 0.231 1 0 "[ . 1 . 2 .]" 2
83 1 7 ALA O 1 18 ALA N 3.300 2.500 3.500 2.687 2.531 2.915 . 0 0 "[ . 1 . 2 .]" 2
84 1 7 ALA O 1 18 ALA H 2.300 . 2.500 1.752 1.575 1.961 . 0 0 "[ . 1 . 2 .]" 2
85 1 7 ALA N 1 18 ALA O 3.300 2.500 3.500 2.847 2.658 3.007 . 0 0 "[ . 1 . 2 .]" 2
86 1 7 ALA H 1 18 ALA O 2.300 . 2.500 1.980 1.764 2.196 . 0 0 "[ . 1 . 2 .]" 2
87 1 5 LEU O 1 20 GLY N 3.300 2.500 3.500 2.553 2.446 2.779 0.054 22 0 "[ . 1 . 2 .]" 2
88 1 5 LEU O 1 20 GLY H 2.300 . 2.500 1.817 1.696 1.994 . 0 0 "[ . 1 . 2 .]" 2
89 1 5 LEU N 1 20 GLY O 3.300 2.500 3.500 2.753 2.530 2.953 . 0 0 "[ . 1 . 2 .]" 2
90 1 5 LEU H 1 20 GLY O 2.300 . 2.500 1.870 1.655 2.130 . 0 0 "[ . 1 . 2 .]" 2
91 1 8 PHE N 1 58 ILE O 3.300 2.500 3.500 2.469 2.417 2.590 0.083 5 0 "[ . 1 . 2 .]" 2
92 1 8 PHE H 1 58 ILE O 2.300 . 2.500 1.539 1.461 1.777 0.039 21 0 "[ . 1 . 2 .]" 2
93 1 8 PHE O 1 60 GLY N 3.300 2.500 3.500 3.000 2.810 3.183 . 0 0 "[ . 1 . 2 .]" 2
94 1 8 PHE O 1 60 GLY H 2.300 . 2.500 2.286 2.047 2.518 0.018 23 0 "[ . 1 . 2 .]" 2
95 1 6 LEU O 1 58 ILE N 3.300 2.500 3.500 2.841 2.682 2.992 . 0 0 "[ . 1 . 2 .]" 2
96 1 6 LEU O 1 58 ILE H 2.300 . 2.500 1.920 1.730 2.090 . 0 0 "[ . 1 . 2 .]" 2
97 1 6 LEU N 1 56 GLU O 3.300 2.500 3.500 3.003 2.496 3.307 0.004 1 0 "[ . 1 . 2 .]" 2
98 1 6 LEU H 1 56 GLU O 2.300 . 2.500 2.065 1.650 2.381 . 0 0 "[ . 1 . 2 .]" 2
99 1 57 ILE N 1 90 GLU O 3.300 2.500 3.500 3.384 3.150 3.510 0.010 10 0 "[ . 1 . 2 .]" 2
100 1 57 ILE H 1 90 GLU O 2.300 . 2.500 2.512 2.376 2.564 0.064 2 0 "[ . 1 . 2 .]" 2
101 1 57 ILE O 1 92 LYS N 3.300 2.500 3.500 2.714 2.509 3.260 . 0 0 "[ . 1 . 2 .]" 2
102 1 57 ILE O 1 92 LYS H 2.300 . 2.500 1.936 1.624 2.426 . 0 0 "[ . 1 . 2 .]" 2
103 1 59 VAL N 1 92 LYS O 3.300 2.500 3.500 2.864 2.548 3.314 . 0 0 "[ . 1 . 2 .]" 2
104 1 59 VAL H 1 92 LYS O 2.300 . 2.500 1.901 1.603 2.342 . 0 0 "[ . 1 . 2 .]" 2
105 1 59 VAL O 1 94 HIS N 3.300 2.500 3.500 3.445 3.398 3.511 0.011 21 0 "[ . 1 . 2 .]" 2
106 1 59 VAL O 1 94 HIS H 2.300 . 2.500 2.549 2.499 2.602 0.102 1 0 "[ . 1 . 2 .]" 2
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