NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610908 |
2n9v   |
18565 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9v
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 868
_Distance_constraint_stats_list.Viol_count 1084
_Distance_constraint_stats_list.Viol_total 3144.034
_Distance_constraint_stats_list.Viol_max 0.945
_Distance_constraint_stats_list.Viol_rms 0.0501
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.1450
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.702 0.199 16 0 "[ . 1 . 2]"
1 4 TRP 1.547 0.212 18 0 "[ . 1 . 2]"
1 5 THR 0.902 0.163 8 0 "[ . 1 . 2]"
1 6 PRO 1.273 0.248 17 0 "[ . 1 . 2]"
1 7 GLU 0.844 0.168 3 0 "[ . 1 . 2]"
1 8 VAL 1.834 0.212 18 0 "[ . 1 . 2]"
1 9 LEU 0.503 0.130 17 0 "[ . 1 . 2]"
1 10 LYS 4.586 0.661 10 1 "[ . + . 2]"
1 11 ALA 0.795 0.208 9 0 "[ . 1 . 2]"
1 12 ARG 0.680 0.106 1 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.575 0.106 1 0 "[ . 1 . 2]"
1 15 VAL 0.031 0.031 2 0 "[ . 1 . 2]"
1 16 ILE 0.173 0.127 13 0 "[ . 1 . 2]"
1 17 GLY 1.977 0.336 15 0 "[ . 1 . 2]"
1 18 LYS 0.601 0.197 12 0 "[ . 1 . 2]"
1 19 PRO 3.166 0.226 14 0 "[ . 1 . 2]"
1 20 ILE 29.315 0.945 6 16 "[*****+** *-* **** *]"
1 21 GLY 0.381 0.143 4 0 "[ . 1 . 2]"
1 22 GLU 0.773 0.231 5 0 "[ . 1 . 2]"
1 23 SER 0.362 0.148 19 0 "[ . 1 . 2]"
1 24 TYR 8.083 0.945 6 8 "[** *+* 1 * - *]"
1 25 LYS 18.206 0.906 16 10 "[* **. * *-* *.+ *]"
1 26 ARG 9.681 0.331 5 0 "[ . 1 . 2]"
1 27 ILE 6.993 0.331 5 0 "[ . 1 . 2]"
1 28 LEU 7.902 0.811 5 4 "[ + * 1*- . 2]"
1 29 ALA 0.300 0.222 20 0 "[ . 1 . 2]"
1 30 LYS 1.829 0.217 16 0 "[ . 1 . 2]"
1 31 LEU 0.858 0.248 17 0 "[ . 1 . 2]"
1 32 GLN 0.493 0.105 1 0 "[ . 1 . 2]"
1 33 ARG 1.304 0.222 20 0 "[ . 1 . 2]"
1 34 ILE 1.938 0.292 4 0 "[ . 1 . 2]"
1 35 HIS 0.652 0.085 19 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 3.919 0.420 13 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 12.564 0.423 5 0 "[ . 1 . 2]"
1 40 LEU 0.765 0.259 10 0 "[ . 1 . 2]"
1 41 ASP 4.970 0.428 16 0 "[ . 1 . 2]"
1 42 GLU 5.017 0.428 16 0 "[ . 1 . 2]"
1 43 ARG 5.581 0.285 6 0 "[ . 1 . 2]"
1 44 GLN 1.373 0.161 7 0 "[ . 1 . 2]"
1 45 GLY 3.319 0.256 9 0 "[ . 1 . 2]"
1 46 LEU 14.390 0.420 13 0 "[ . 1 . 2]"
1 47 MET 2.210 0.207 19 0 "[ . 1 . 2]"
1 48 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.300 0.065 14 0 "[ . 1 . 2]"
1 50 LEU 3.495 0.324 14 0 "[ . 1 . 2]"
1 51 MET 6.532 0.727 13 5 "[ . ** + . -*2]"
1 52 GLU 0.779 0.251 16 0 "[ . 1 . 2]"
1 53 LEU 0.248 0.060 20 0 "[ . 1 . 2]"
1 54 ILE 13.504 0.418 9 0 "[ . 1 . 2]"
1 55 ASP 6.115 0.316 12 0 "[ . 1 . 2]"
1 56 LEU 5.363 0.316 12 0 "[ . 1 . 2]"
1 57 TYR 0.101 0.098 3 0 "[ . 1 . 2]"
1 58 GLU 1.136 0.267 3 0 "[ . 1 . 2]"
1 59 GLU 0.614 0.155 11 0 "[ . 1 . 2]"
1 60 SER 0.254 0.094 4 0 "[ . 1 . 2]"
1 61 GLN 4.823 0.209 18 0 "[ . 1 . 2]"
1 62 PRO 5.616 0.209 18 0 "[ . 1 . 2]"
1 63 SER 1.248 0.227 10 0 "[ . 1 . 2]"
1 64 SER 0.071 0.071 11 0 "[ . 1 . 2]"
1 65 GLU 1.188 0.288 9 0 "[ . 1 . 2]"
1 66 ARG 1.643 0.288 9 0 "[ . 1 . 2]"
1 67 LEU 4.230 0.227 10 0 "[ . 1 . 2]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.456 0.350 11 0 "[ . 1 . 2]"
1 70 PHE 2.305 0.244 2 0 "[ . 1 . 2]"
1 71 ARG 3.229 0.371 5 0 "[ . 1 . 2]"
1 72 GLU 0.723 0.350 11 0 "[ . 1 . 2]"
1 73 LEU 7.575 0.405 14 0 "[ . 1 . 2]"
1 74 ARG 12.225 0.418 9 0 "[ . 1 . 2]"
1 75 THR 13.078 0.417 9 0 "[ . 1 . 2]"
1 76 GLN 0.808 0.199 16 0 "[ . 1 . 2]"
1 77 LEU 3.340 0.276 16 0 "[ . 1 . 2]"
1 78 GLU 6.313 0.727 13 5 "[ . ** + . -*2]"
1 79 LYS 4.369 0.268 14 0 "[ . 1 . 2]"
1 80 ALA 6.786 0.268 14 0 "[ . 1 . 2]"
1 81 LEU 2.296 0.244 2 0 "[ . 1 . 2]"
1 82 GLY 0.640 0.244 2 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.030 0.020 3 0 "[ . 1 . 2]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY QA 1 3 VAL H 3.400 . 5.000 2.419 2.129 2.925 . 0 0 "[ . 1 . 2]" 1
2 1 3 VAL H 1 3 VAL HB 3.400 . 5.000 3.133 2.454 3.748 . 0 0 "[ . 1 . 2]" 1
3 1 3 VAL H 1 3 VAL QG 3.650 . 5.500 2.152 1.807 2.835 . 0 0 "[ . 1 . 2]" 1
4 1 3 VAL H 1 4 TRP H 3.400 . 5.000 3.555 2.250 4.397 . 0 0 "[ . 1 . 2]" 1
5 1 3 VAL HA 1 3 VAL QG 2.500 . 3.200 2.185 2.050 2.323 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL HA 1 4 TRP H 3.400 . 5.000 2.635 2.141 3.549 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL HB 1 4 TRP H 3.400 . 5.000 3.876 2.506 4.571 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL QG 1 4 TRP H 3.650 . 5.500 2.925 1.992 3.648 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL QG 1 4 TRP HA 4.150 . 6.500 3.409 2.840 3.947 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL QG 1 5 THR H 3.650 . 5.500 3.113 2.117 4.094 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL QG 1 6 PRO QD 3.650 . 5.500 3.871 1.830 4.613 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL QG 1 34 ILE HG12 3.900 . 6.000 2.692 1.975 3.482 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL QG 1 39 ILE MG 3.900 . 6.000 5.169 3.409 6.060 0.060 10 0 "[ . 1 . 2]" 1
14 1 3 VAL QG 1 47 MET QG 3.650 . 5.500 5.157 4.436 5.569 0.069 16 0 "[ . 1 . 2]" 1
15 1 3 VAL QG 1 76 GLN H 3.650 . 5.500 5.116 4.432 5.699 0.199 16 0 "[ . 1 . 2]" 1
16 1 3 VAL QG 1 76 GLN QB 3.650 . 5.500 2.721 1.986 3.545 . 0 0 "[ . 1 . 2]" 1
17 1 4 TRP H 1 4 TRP QB 3.400 . 5.000 2.564 2.217 3.016 . 0 0 "[ . 1 . 2]" 1
18 1 4 TRP H 1 5 THR H 3.400 . 5.000 4.411 4.020 4.594 . 0 0 "[ . 1 . 2]" 1
19 1 4 TRP HA 1 5 THR H 3.400 . 5.000 2.159 2.104 2.247 . 0 0 "[ . 1 . 2]" 1
20 1 4 TRP HA 1 6 PRO QD 3.900 . 6.000 3.037 2.594 5.847 . 0 0 "[ . 1 . 2]" 1
21 1 4 TRP HA 1 8 VAL QG 4.150 . 6.500 5.813 2.765 6.712 0.212 18 0 "[ . 1 . 2]" 1
22 1 4 TRP QB 1 5 THR H 3.400 . 5.000 3.158 2.754 3.584 . 0 0 "[ . 1 . 2]" 1
23 1 4 TRP QB 1 8 VAL HB 3.900 . 6.000 5.709 3.805 6.090 0.090 2 0 "[ . 1 . 2]" 1
24 1 4 TRP QB 1 8 VAL QG 4.150 . 5.500 4.685 2.840 5.517 0.017 18 0 "[ . 1 . 2]" 1
25 1 4 TRP QB 1 73 LEU QD 3.650 . 5.500 5.353 4.345 5.687 0.187 8 0 "[ . 1 . 2]" 1
26 1 5 THR H 1 5 THR HB 3.400 . 5.000 3.415 3.110 3.927 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR H 1 8 VAL QG 3.650 . 5.500 5.059 2.253 5.663 0.163 8 0 "[ . 1 . 2]" 1
28 1 5 THR HA 1 6 PRO QD 3.400 . 5.000 2.597 2.120 3.497 . 0 0 "[ . 1 . 2]" 1
29 1 6 PRO HA 1 6 PRO QB 2.250 . 2.700 2.219 2.198 2.263 . 0 0 "[ . 1 . 2]" 1
30 1 6 PRO HA 1 6 PRO QG 3.400 . 5.000 3.305 2.807 3.524 . 0 0 "[ . 1 . 2]" 1
31 1 6 PRO HA 1 8 VAL H 3.400 . 5.000 3.953 3.792 4.046 . 0 0 "[ . 1 . 2]" 1
32 1 6 PRO HA 1 28 LEU QD 4.150 . 6.500 3.598 2.411 4.633 . 0 0 "[ . 1 . 2]" 1
33 1 6 PRO HA 1 31 LEU QB 3.900 . 6.000 3.283 2.190 4.998 . 0 0 "[ . 1 . 2]" 1
34 1 6 PRO HA 1 31 LEU QB 3.400 . 5.000 3.109 2.181 4.048 . 0 0 "[ . 1 . 2]" 1
35 1 6 PRO HA 1 31 LEU QD 4.150 . 6.500 3.046 2.041 4.913 . 0 0 "[ . 1 . 2]" 1
36 1 6 PRO HA 1 31 LEU HG 3.400 . 5.000 3.891 2.340 5.043 0.043 9 0 "[ . 1 . 2]" 1
37 1 6 PRO HA 1 35 HIS QB 3.900 . 6.000 5.567 3.547 6.057 0.057 1 0 "[ . 1 . 2]" 1
38 1 6 PRO QB 1 8 VAL H 3.400 . 5.000 2.281 2.199 2.382 . 0 0 "[ . 1 . 2]" 1
39 1 6 PRO QB 1 31 LEU HG 3.900 . 6.000 4.609 3.420 5.531 . 0 0 "[ . 1 . 2]" 1
40 1 6 PRO QB 1 7 GLU H 3.400 . 5.000 2.379 2.144 2.906 . 0 0 "[ . 1 . 2]" 1
41 1 6 PRO QB 1 7 GLU H 3.400 . 5.000 2.059 1.844 2.446 . 0 0 "[ . 1 . 2]" 1
42 1 6 PRO QB 1 7 GLU HA 3.400 . 5.000 2.560 2.292 3.223 . 0 0 "[ . 1 . 2]" 1
43 1 6 PRO QB 1 8 VAL QG 3.650 . 5.500 2.563 2.004 3.404 . 0 0 "[ . 1 . 2]" 1
44 1 6 PRO QB 1 31 LEU QB 3.900 . 6.000 4.189 2.661 5.981 . 0 0 "[ . 1 . 2]" 1
45 1 6 PRO QD 1 7 GLU H 3.400 . 5.000 4.891 4.751 4.987 . 0 0 "[ . 1 . 2]" 1
46 1 6 PRO QD 1 31 LEU QD 3.650 . 5.500 3.648 2.375 5.496 . 0 0 "[ . 1 . 2]" 1
47 1 6 PRO QD 1 35 HIS QB 3.400 . 5.000 4.604 3.513 5.085 0.085 19 0 "[ . 1 . 2]" 1
48 1 6 PRO QG 1 7 GLU H 3.400 . 5.000 4.052 3.734 4.503 . 0 0 "[ . 1 . 2]" 1
49 1 6 PRO QG 1 31 LEU HG 3.900 . 6.000 5.655 4.531 6.248 0.248 17 0 "[ . 1 . 2]" 1
50 1 7 GLU H 1 7 GLU QB 3.400 . 5.000 2.442 2.241 2.593 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLU H 1 8 VAL H 3.400 . 5.000 2.823 2.695 2.917 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLU H 1 8 VAL QG 3.650 . 5.500 3.356 2.407 3.880 . 0 0 "[ . 1 . 2]" 1
53 1 7 GLU H 1 9 LEU H 3.400 . 5.000 4.729 4.460 4.957 . 0 0 "[ . 1 . 2]" 1
54 1 7 GLU HA 1 7 GLU QB 2.250 . 2.700 2.340 2.188 2.405 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLU HA 1 7 GLU QB 2.550 . 3.300 2.149 1.992 2.328 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLU HA 1 7 GLU QG 2.550 . 3.300 2.587 2.299 3.306 0.006 18 0 "[ . 1 . 2]" 1
57 1 7 GLU HA 1 8 VAL H 3.400 . 5.000 3.388 3.364 3.411 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLU HA 1 10 LYS H 3.400 . 5.000 2.905 2.800 3.029 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLU HA 1 11 ALA H 3.400 . 5.000 3.694 3.263 4.087 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLU HA 1 10 LYS QB 2.550 . 3.300 2.622 2.128 3.392 0.092 18 0 "[ . 1 . 2]" 1
61 1 7 GLU HA 1 10 LYS QD 3.400 . 5.000 4.026 2.721 5.052 0.052 8 0 "[ . 1 . 2]" 1
62 1 7 GLU HA 1 10 LYS QE 3.400 . 5.000 4.346 2.926 5.168 0.168 3 0 "[ . 1 . 2]" 1
63 1 7 GLU HA 1 28 LEU QD . . 3.800 2.083 1.918 2.230 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU QB 1 8 VAL H 3.400 . 5.000 3.150 2.946 3.576 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLU QB 1 10 LYS H 3.400 . 5.000 2.097 1.961 2.145 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLU QG 1 8 VAL QG 4.150 . 6.500 4.427 2.846 5.312 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLU QG 1 28 LEU QD 3.650 . 5.500 3.276 2.077 4.872 . 0 0 "[ . 1 . 2]" 1
68 1 8 VAL H 1 8 VAL HB 3.400 . 5.000 2.576 2.353 3.542 . 0 0 "[ . 1 . 2]" 1
69 1 8 VAL H 1 8 VAL QG 3.650 . 5.500 1.970 1.753 2.368 0.047 14 0 "[ . 1 . 2]" 1
70 1 8 VAL H 1 9 LEU H 3.400 . 5.000 2.799 2.654 2.944 . 0 0 "[ . 1 . 2]" 1
71 1 8 VAL H 1 9 LEU QB 3.650 . 5.500 4.042 3.836 4.250 . 0 0 "[ . 1 . 2]" 1
72 1 8 VAL HA 1 8 VAL QG 2.500 . 3.200 2.143 2.085 2.363 . 0 0 "[ . 1 . 2]" 1
73 1 8 VAL HA 1 8 VAL QG 2.500 . 3.200 2.009 1.954 2.168 . 0 0 "[ . 1 . 2]" 1
74 1 8 VAL HA 1 9 LEU H 3.400 . 5.000 3.549 3.462 3.575 . 0 0 "[ . 1 . 2]" 1
75 1 8 VAL HA 1 11 ALA H 3.400 . 5.000 3.492 3.194 4.068 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL HA 1 11 ALA MB 2.500 . 3.200 2.618 2.277 3.229 0.029 19 0 "[ . 1 . 2]" 1
77 1 8 VAL HB 1 9 LEU H 3.400 . 5.000 2.697 2.250 3.784 . 0 0 "[ . 1 . 2]" 1
78 1 8 VAL HB 1 10 LYS H 3.400 . 5.000 2.267 2.223 2.386 . 0 0 "[ . 1 . 2]" 1
79 1 8 VAL QG 1 9 LEU H 3.650 . 5.500 2.900 1.786 3.405 0.014 11 0 "[ . 1 . 2]" 1
80 1 8 VAL QG 1 9 LEU HA 4.150 . 6.500 3.314 2.886 3.561 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL QG 1 9 LEU QB 3.650 . 5.500 3.789 2.789 4.531 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL QG 1 9 LEU QB 3.650 . 5.500 3.501 2.764 3.924 . 0 0 "[ . 1 . 2]" 1
83 1 8 VAL QG 1 11 ALA MB 4.400 . 7.000 3.120 2.720 3.514 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL QG 1 12 ARG QD 4.150 . 6.500 4.174 2.835 5.584 . 0 0 "[ . 1 . 2]" 1
85 1 8 VAL QG 1 12 ARG QG 4.150 . 5.500 3.853 2.335 5.545 0.045 2 0 "[ . 1 . 2]" 1
86 1 9 LEU H 1 10 LYS H 3.400 . 5.000 2.616 2.472 2.713 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU HA 1 9 LEU QD 2.800 . 3.200 2.203 1.977 3.071 . 0 0 "[ . 1 . 2]" 1
88 1 9 LEU HA 1 12 ARG QB 3.900 . 6.000 2.913 2.309 4.220 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU QB 1 9 LEU HG 2.550 . 3.300 2.365 2.193 2.564 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU QB 1 10 LYS H 3.650 . 5.500 2.474 2.162 2.708 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU QB 1 10 LYS HA 3.400 . 5.000 2.349 2.259 2.609 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU QB 1 28 LEU QD 3.650 . 5.500 4.339 2.822 5.386 . 0 0 "[ . 1 . 2]" 1
93 1 9 LEU QB 1 73 LEU QD 3.650 . 5.500 4.585 3.524 5.164 . 0 0 "[ . 1 . 2]" 1
94 1 9 LEU QD 1 31 LEU QB 4.150 . 6.500 4.269 2.772 4.863 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU QD 1 34 ILE MD 4.400 . 7.000 2.263 1.797 2.950 0.003 19 0 "[ . 1 . 2]" 1
96 1 9 LEU QD 1 73 LEU HG 3.650 . 5.500 4.258 2.320 4.951 . 0 0 "[ . 1 . 2]" 1
97 1 9 LEU QD 1 70 PHE QB 4.150 . 6.500 3.648 2.557 4.596 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU QD 1 70 PHE HA 3.650 . 5.500 5.089 3.882 5.602 0.102 18 0 "[ . 1 . 2]" 1
99 1 9 LEU QD 1 73 LEU QD 3.050 . 4.300 4.023 2.743 4.430 0.130 17 0 "[ . 1 . 2]" 1
100 1 10 LYS H 1 10 LYS QD 3.400 . 5.000 4.074 3.548 4.485 . 0 0 "[ . 1 . 2]" 1
101 1 10 LYS H 1 11 ALA H 3.400 . 5.000 2.644 2.559 2.760 . 0 0 "[ . 1 . 2]" 1
102 1 10 LYS HA 1 10 LYS QD 3.400 . 5.000 2.276 2.083 2.370 . 0 0 "[ . 1 . 2]" 1
103 1 10 LYS HA 1 10 LYS QE 3.400 . 5.000 4.295 3.860 4.955 . 0 0 "[ . 1 . 2]" 1
104 1 10 LYS QB 1 10 LYS QE 2.550 . 3.300 2.585 2.010 3.554 0.254 20 0 "[ . 1 . 2]" 1
105 1 10 LYS QB 1 11 ALA H 3.400 . 5.000 2.555 2.375 2.840 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS QB 1 11 ALA MB 3.650 . 5.500 2.900 2.002 3.952 . 0 0 "[ . 1 . 2]" 1
107 1 10 LYS QB 1 12 ARG H 3.400 . 5.000 4.673 4.206 5.059 0.059 15 0 "[ . 1 . 2]" 1
108 1 10 LYS QD 1 10 LYS QE 2.250 . 2.700 1.920 1.870 1.964 . 0 0 "[ . 1 . 2]" 1
109 1 10 LYS QD 1 10 LYS QG 2.250 . 2.700 2.057 2.012 2.105 . 0 0 "[ . 1 . 2]" 1
110 1 10 LYS QD 1 28 LEU QD 4.150 . 6.500 2.337 1.828 3.009 . 0 0 "[ . 1 . 2]" 1
111 1 10 LYS QD 1 17 GLY QA 3.900 . 6.000 5.408 4.248 6.130 0.130 19 0 "[ . 1 . 2]" 1
112 1 10 LYS QD 1 28 LEU QD 3.650 . 5.500 2.662 1.851 4.283 . 0 0 "[ . 1 . 2]" 1
113 1 10 LYS QE 1 20 ILE MD 4.150 . 6.500 5.201 2.917 7.161 0.661 10 1 "[ . + . 2]" 1
114 1 10 LYS QE 1 28 LEU QD 4.150 . 6.500 2.393 1.994 3.127 . 0 0 "[ . 1 . 2]" 1
115 1 10 LYS QE 1 28 LEU QB 3.400 . 5.000 4.433 3.232 5.135 0.135 15 0 "[ . 1 . 2]" 1
116 1 10 LYS QE 1 28 LEU QD 3.650 . 3.800 2.435 2.022 3.175 . 0 0 "[ . 1 . 2]" 1
117 1 10 LYS QG 1 17 GLY QA 3.400 . 5.000 4.910 4.079 5.336 0.336 15 0 "[ . 1 . 2]" 1
118 1 10 LYS QG 1 28 LEU QD 4.150 . 5.500 3.492 2.187 4.608 . 0 0 "[ . 1 . 2]" 1
119 1 11 ALA H 1 12 ARG H 3.400 . 5.000 2.680 2.547 2.959 . 0 0 "[ . 1 . 2]" 1
120 1 11 ALA H 1 28 LEU QD 3.650 . 5.500 5.360 4.884 5.708 0.208 9 0 "[ . 1 . 2]" 1
121 1 11 ALA HA 1 13 ALA H 3.400 . 5.000 3.198 3.043 3.296 . 0 0 "[ . 1 . 2]" 1
122 1 11 ALA MB 1 13 ALA H 3.650 . 5.500 2.041 1.927 2.117 . 0 0 "[ . 1 . 2]" 1
123 1 12 ARG H 1 12 ARG QB 3.400 . 5.000 2.292 2.193 2.481 . 0 0 "[ . 1 . 2]" 1
124 1 12 ARG H 1 12 ARG QB 3.400 . 5.000 2.176 2.031 2.446 . 0 0 "[ . 1 . 2]" 1
125 1 12 ARG H 1 13 ALA H 3.400 . 5.000 2.329 2.245 2.389 . 0 0 "[ . 1 . 2]" 1
126 1 12 ARG H 1 14 SER H 3.400 . 5.000 2.453 2.349 2.703 . 0 0 "[ . 1 . 2]" 1
127 1 12 ARG H 1 14 SER QB 3.400 . 5.000 4.919 4.454 5.106 0.106 1 0 "[ . 1 . 2]" 1
128 1 12 ARG HA 1 12 ARG QB 2.250 . 2.700 2.411 2.351 2.492 . 0 0 "[ . 1 . 2]" 1
129 1 12 ARG HA 1 12 ARG QD 2.250 . 2.700 2.257 2.130 2.589 . 0 0 "[ . 1 . 2]" 1
130 1 12 ARG HA 1 12 ARG QG . . 3.300 2.630 2.284 2.920 . 0 0 "[ . 1 . 2]" 1
131 1 12 ARG QB 1 13 ALA H 3.650 . 5.500 2.410 2.094 2.583 . 0 0 "[ . 1 . 2]" 1
132 1 12 ARG QB 1 13 ALA HA 3.900 . 6.000 3.988 3.838 4.192 . 0 0 "[ . 1 . 2]" 1
133 1 12 ARG QB 1 13 ALA MB 3.650 . 5.500 3.651 3.342 3.778 . 0 0 "[ . 1 . 2]" 1
134 1 13 ALA H 1 14 SER H 3.400 . 5.000 2.490 2.255 2.648 . 0 0 "[ . 1 . 2]" 1
135 1 13 ALA MB 1 14 SER H 3.650 . 5.500 2.614 2.407 3.286 . 0 0 "[ . 1 . 2]" 1
136 1 13 ALA MB 1 14 SER QB 3.650 . 5.500 3.919 3.428 4.481 . 0 0 "[ . 1 . 2]" 1
137 1 14 SER H 1 14 SER QB 3.400 . 5.000 2.373 2.239 2.598 . 0 0 "[ . 1 . 2]" 1
138 1 14 SER H 1 15 VAL H 3.400 . 5.000 2.480 2.367 2.776 . 0 0 "[ . 1 . 2]" 1
139 1 14 SER HA 1 14 SER QB 2.250 . 2.700 2.350 2.185 2.473 . 0 0 "[ . 1 . 2]" 1
140 1 14 SER HA 1 15 VAL QG 2.800 . 3.800 2.089 2.039 2.322 . 0 0 "[ . 1 . 2]" 1
141 1 14 SER HA 1 16 ILE H 3.400 . 5.000 3.286 2.994 3.369 . 0 0 "[ . 1 . 2]" 1
142 1 14 SER QB 1 15 VAL H 3.400 . 5.000 3.380 2.989 3.910 . 0 0 "[ . 1 . 2]" 1
143 1 15 VAL H 1 15 VAL HB 3.400 . 5.000 3.568 2.450 3.741 . 0 0 "[ . 1 . 2]" 1
144 1 15 VAL H 1 15 VAL QG 3.650 . 5.500 2.511 1.769 2.654 0.031 2 0 "[ . 1 . 2]" 1
145 1 15 VAL H 1 16 ILE H 3.400 . 5.000 3.517 2.640 3.962 . 0 0 "[ . 1 . 2]" 1
146 1 15 VAL HA 1 15 VAL HB 2.550 . 3.300 2.966 2.471 3.027 . 0 0 "[ . 1 . 2]" 1
147 1 15 VAL HA 1 15 VAL QG 2.500 . 3.200 2.111 2.056 2.333 . 0 0 "[ . 1 . 2]" 1
148 1 16 ILE H 1 16 ILE HB 3.400 . 5.000 3.069 2.566 3.797 . 0 0 "[ . 1 . 2]" 1
149 1 16 ILE H 1 16 ILE MD 3.650 . 5.500 4.178 3.186 4.708 . 0 0 "[ . 1 . 2]" 1
150 1 16 ILE H 1 16 ILE HG12 3.400 . 5.000 3.681 1.809 5.006 0.006 15 0 "[ . 1 . 2]" 1
151 1 16 ILE H 1 16 ILE MG 3.650 . 5.500 2.526 1.841 3.845 . 0 0 "[ . 1 . 2]" 1
152 1 16 ILE HA 1 16 ILE HB 2.550 . 3.300 2.599 2.450 3.029 . 0 0 "[ . 1 . 2]" 1
153 1 16 ILE HA 1 16 ILE HG12 3.400 . 5.000 3.240 2.545 3.739 . 0 0 "[ . 1 . 2]" 1
154 1 16 ILE HA 1 16 ILE MG 2.800 . 3.800 2.827 2.231 3.219 . 0 0 "[ . 1 . 2]" 1
155 1 16 ILE HA 1 17 GLY H 3.400 . 5.000 2.183 2.112 2.328 . 0 0 "[ . 1 . 2]" 1
156 1 16 ILE HB 1 16 ILE MD 2.500 . 3.200 2.430 2.244 3.221 0.021 17 0 "[ . 1 . 2]" 1
157 1 16 ILE HB 1 16 ILE HG12 2.550 . 3.300 2.925 2.432 3.038 . 0 0 "[ . 1 . 2]" 1
158 1 16 ILE MD 1 17 GLY H 3.650 . 5.500 4.213 2.620 5.048 . 0 0 "[ . 1 . 2]" 1
159 1 16 ILE MD 1 17 GLY QA 3.650 . 5.500 5.066 4.058 5.627 0.127 13 0 "[ . 1 . 2]" 1
160 1 16 ILE HG12 1 16 ILE MG 2.500 . 3.200 2.393 2.190 3.195 . 0 0 "[ . 1 . 2]" 1
161 1 17 GLY H 1 18 LYS H 3.400 . 5.000 4.603 4.545 4.653 . 0 0 "[ . 1 . 2]" 1
162 1 17 GLY QA 1 18 LYS H 3.400 . 5.000 1.974 1.718 2.205 0.082 16 0 "[ . 1 . 2]" 1
163 1 17 GLY QA 1 18 LYS QB 3.900 . 6.000 3.086 1.980 3.522 . 0 0 "[ . 1 . 2]" 1
164 1 18 LYS H 1 18 LYS QB 3.400 . 5.000 2.967 2.514 3.388 . 0 0 "[ . 1 . 2]" 1
165 1 18 LYS H 1 18 LYS QG 3.400 . 5.000 3.639 2.252 4.405 . 0 0 "[ . 1 . 2]" 1
166 1 18 LYS HA 1 18 LYS QB 2.550 . 3.300 2.371 2.183 2.527 . 0 0 "[ . 1 . 2]" 1
167 1 18 LYS HA 1 18 LYS QB 2.550 . 3.300 2.114 2.070 2.209 . 0 0 "[ . 1 . 2]" 1
168 1 18 LYS HA 1 18 LYS QD 3.900 . 6.000 3.877 2.251 4.438 . 0 0 "[ . 1 . 2]" 1
169 1 18 LYS HA 1 18 LYS QG 3.400 . 5.000 2.526 2.201 3.300 . 0 0 "[ . 1 . 2]" 1
170 1 18 LYS HA 1 19 PRO QD 2.250 . 2.700 2.219 2.031 2.315 . 0 0 "[ . 1 . 2]" 1
171 1 18 LYS HA 1 19 PRO QG 3.900 . 5.000 4.079 3.903 4.152 . 0 0 "[ . 1 . 2]" 1
172 1 18 LYS QB 1 19 PRO QD 3.900 . 6.000 3.400 1.982 3.851 . 0 0 "[ . 1 . 2]" 1
173 1 18 LYS QE 1 18 LYS QG 2.550 . 2.700 2.371 2.114 2.897 0.197 12 0 "[ . 1 . 2]" 1
174 1 18 LYS QG 1 19 PRO QD 3.900 . 5.000 3.744 2.384 3.978 . 0 0 "[ . 1 . 2]" 1
175 1 19 PRO HA 1 19 PRO QG 2.550 . 3.300 3.364 2.942 3.526 0.226 14 0 "[ . 1 . 2]" 1
176 1 19 PRO HA 1 20 ILE HA 3.400 . 5.000 4.394 4.327 4.459 . 0 0 "[ . 1 . 2]" 1
177 1 19 PRO QB 1 20 ILE H 3.400 . 5.000 2.623 2.311 3.166 . 0 0 "[ . 1 . 2]" 1
178 1 20 ILE H 1 20 ILE MD 3.650 . 5.500 3.751 1.883 4.367 . 0 0 "[ . 1 . 2]" 1
179 1 20 ILE H 1 20 ILE HG12 3.650 . 5.500 2.383 1.781 3.349 0.019 5 0 "[ . 1 . 2]" 1
180 1 20 ILE H 1 20 ILE HG13 3.400 . 5.000 3.133 2.053 4.738 . 0 0 "[ . 1 . 2]" 1
181 1 20 ILE HA 1 20 ILE HB 2.550 . 3.300 2.653 2.368 3.033 . 0 0 "[ . 1 . 2]" 1
182 1 20 ILE HA 1 20 ILE MD 4.150 . 6.500 3.754 2.264 4.128 . 0 0 "[ . 1 . 2]" 1
183 1 20 ILE HA 1 20 ILE HG12 3.400 . 5.000 3.213 2.446 4.208 . 0 0 "[ . 1 . 2]" 1
184 1 20 ILE HA 1 20 ILE HG13 2.550 . 3.300 3.076 2.283 3.658 0.358 18 0 "[ . 1 . 2]" 1
185 1 20 ILE HA 1 20 ILE MG 2.800 . 3.800 2.605 2.217 3.196 . 0 0 "[ . 1 . 2]" 1
186 1 20 ILE HA 1 21 GLY H 3.400 . 5.000 2.230 2.153 2.475 . 0 0 "[ . 1 . 2]" 1
187 1 20 ILE HA 1 25 LYS QB 3.400 . 5.000 4.884 3.812 5.333 0.333 4 0 "[ . 1 . 2]" 1
188 1 20 ILE HB 1 20 ILE MD 2.800 . 3.200 2.339 2.188 3.225 0.025 11 0 "[ . 1 . 2]" 1
189 1 20 ILE HB 1 21 GLY H 3.400 . 5.000 3.677 2.834 4.448 . 0 0 "[ . 1 . 2]" 1
190 1 20 ILE MD 1 21 GLY H 3.650 . 5.500 4.230 1.867 5.135 . 0 0 "[ . 1 . 2]" 1
191 1 20 ILE MD 1 24 TYR H 3.650 . 5.500 5.510 4.049 6.445 0.945 6 6 "[** .+* 1 * -]" 1
192 1 20 ILE MD 1 24 TYR QB 3.650 . 5.500 3.825 2.161 6.114 0.614 5 2 "[ + 1 . - 2]" 1
193 1 20 ILE MD 1 25 LYS H 3.650 . 5.500 5.121 3.283 6.189 0.689 20 2 "[- . 1 . +]" 1
194 1 20 ILE MD 1 25 LYS QD 3.650 . 5.500 5.112 2.274 6.174 0.674 10 3 "[ - . * + . 2]" 1
195 1 20 ILE MD 1 25 LYS QG 3.650 . 5.500 5.367 3.205 6.406 0.906 16 7 "[* *. 1-* *.+ *]" 1
196 1 20 ILE MD 1 28 LEU QD 3.900 . 6.000 5.396 2.439 6.811 0.811 5 4 "[ + * 1*- . 2]" 1
197 1 20 ILE HG13 1 21 GLY H 3.400 . 5.000 4.026 2.168 5.048 0.048 20 0 "[ . 1 . 2]" 1
198 1 20 ILE MG 1 21 GLY H 3.650 . 5.500 3.324 1.747 4.066 0.053 19 0 "[ . 1 . 2]" 1
199 1 21 GLY H 1 22 GLU H 3.400 . 5.000 4.500 4.322 4.652 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLY H 1 22 GLU H 3.400 . 5.000 3.983 3.311 4.364 . 0 0 "[ . 1 . 2]" 1
201 1 21 GLY QA 1 22 GLU H 3.400 . 5.000 2.175 2.127 2.233 . 0 0 "[ . 1 . 2]" 1
202 1 21 GLY QA 1 24 TYR QB 3.900 . 6.000 4.822 2.245 6.143 0.143 4 0 "[ . 1 . 2]" 1
203 1 22 GLU H 1 22 GLU QB 3.400 . 5.000 2.858 2.181 3.463 . 0 0 "[ . 1 . 2]" 1
204 1 22 GLU HA 1 22 GLU QB 2.550 . 3.300 2.410 2.182 2.575 . 0 0 "[ . 1 . 2]" 1
205 1 22 GLU HA 1 22 GLU QG 2.550 . 3.300 2.441 2.179 3.297 . 0 0 "[ . 1 . 2]" 1
206 1 22 GLU QB 1 24 TYR H 3.400 . 5.000 3.130 2.061 5.116 0.116 19 0 "[ . 1 . 2]" 1
207 1 22 GLU QB 1 25 LYS QB 3.400 . 5.000 4.336 3.600 5.231 0.231 5 0 "[ . 1 . 2]" 1
208 1 23 SER HA 1 24 TYR H 3.400 . 5.000 3.493 3.410 3.561 . 0 0 "[ . 1 . 2]" 1
209 1 23 SER QB 1 24 TYR H 3.400 . 5.000 3.029 2.488 3.569 . 0 0 "[ . 1 . 2]" 1
210 1 23 SER QB 1 26 ARG H 3.400 . 5.000 4.699 4.109 5.148 0.148 19 0 "[ . 1 . 2]" 1
211 1 24 TYR H 1 24 TYR QB 3.400 . 5.000 2.328 2.237 2.404 . 0 0 "[ . 1 . 2]" 1
212 1 24 TYR H 1 25 LYS H 3.400 . 5.000 2.625 2.405 2.818 . 0 0 "[ . 1 . 2]" 1
213 1 24 TYR H 1 25 LYS QB 3.400 . 5.000 4.097 3.840 4.482 . 0 0 "[ . 1 . 2]" 1
214 1 24 TYR HA 1 24 TYR QB 2.550 . 3.300 2.387 2.337 2.487 . 0 0 "[ . 1 . 2]" 1
215 1 24 TYR HA 1 27 ILE H 3.400 . 5.000 4.092 3.713 4.634 . 0 0 "[ . 1 . 2]" 1
216 1 24 TYR QB 1 25 LYS H 3.400 . 5.000 2.887 2.366 3.209 . 0 0 "[ . 1 . 2]" 1
217 1 24 TYR QB 1 25 LYS QB 3.400 . 5.000 4.041 3.658 4.608 . 0 0 "[ . 1 . 2]" 1
218 1 24 TYR QD 1 25 LYS H 3.400 . 5.000 4.056 3.141 4.534 . 0 0 "[ . 1 . 2]" 1
219 1 25 LYS H 1 25 LYS QB 3.400 . 5.000 2.314 2.235 2.505 . 0 0 "[ . 1 . 2]" 1
220 1 25 LYS H 1 25 LYS QG 3.400 . 5.000 3.594 1.998 4.006 . 0 0 "[ . 1 . 2]" 1
221 1 25 LYS H 1 26 ARG H 3.400 . 5.000 2.489 2.182 2.845 . 0 0 "[ . 1 . 2]" 1
222 1 25 LYS HA 1 25 LYS QG . . 3.300 2.522 2.224 3.317 0.017 8 0 "[ . 1 . 2]" 1
223 1 25 LYS HA 1 26 ARG H 3.400 . 5.000 3.270 3.079 3.379 . 0 0 "[ . 1 . 2]" 1
224 1 25 LYS HA 1 28 LEU H 3.400 . 5.000 3.300 3.053 3.654 . 0 0 "[ . 1 . 2]" 1
225 1 25 LYS HA 1 28 LEU QB 3.900 . 5.000 2.955 2.258 4.067 . 0 0 "[ . 1 . 2]" 1
226 1 25 LYS HA 1 28 LEU QD 4.150 . 5.500 3.553 2.279 4.552 . 0 0 "[ . 1 . 2]" 1
227 1 25 LYS HA 1 29 ALA H 3.400 . 5.000 4.198 3.733 4.925 . 0 0 "[ . 1 . 2]" 1
228 1 25 LYS QB 1 26 ARG H 3.650 . 5.500 3.149 2.770 3.579 . 0 0 "[ . 1 . 2]" 1
229 1 25 LYS QB 1 26 ARG QB 3.400 . 5.000 4.587 3.971 5.272 0.272 3 0 "[ . 1 . 2]" 1
230 1 25 LYS QB 1 27 ILE H 3.650 . 5.500 4.539 4.290 4.766 . 0 0 "[ . 1 . 2]" 1
231 1 25 LYS QD 1 25 LYS QE 2.250 . 2.700 2.061 2.004 2.109 . 0 0 "[ . 1 . 2]" 1
232 1 25 LYS QG 1 26 ARG HA 3.900 . 6.000 3.644 3.228 4.047 . 0 0 "[ . 1 . 2]" 1
233 1 25 LYS QG 1 26 ARG QB 3.400 . 5.000 4.871 3.634 5.258 0.258 19 0 "[ . 1 . 2]" 1
234 1 25 LYS QG 1 29 ALA MB 2.800 . 3.800 2.966 2.296 3.807 0.007 17 0 "[ . 1 . 2]" 1
235 1 26 ARG H 1 26 ARG QB 3.400 . 5.000 2.242 2.120 2.309 . 0 0 "[ . 1 . 2]" 1
236 1 26 ARG H 1 26 ARG QB 3.400 . 5.000 2.218 2.108 2.252 . 0 0 "[ . 1 . 2]" 1
237 1 26 ARG H 1 26 ARG QD 3.400 . 5.000 4.512 4.056 4.693 . 0 0 "[ . 1 . 2]" 1
238 1 26 ARG H 1 26 ARG QG 3.400 . 5.000 3.884 2.500 4.037 . 0 0 "[ . 1 . 2]" 1
239 1 26 ARG H 1 27 ILE H 3.400 . 5.000 2.657 2.558 2.805 . 0 0 "[ . 1 . 2]" 1
240 1 26 ARG H 1 27 ILE HA 3.400 . 5.000 5.242 5.164 5.331 0.331 5 0 "[ . 1 . 2]" 1
241 1 26 ARG HA 1 26 ARG QB 2.550 . 2.700 2.364 2.181 2.497 . 0 0 "[ . 1 . 2]" 1
242 1 26 ARG HA 1 26 ARG QG 2.550 . 3.300 2.119 2.064 2.304 . 0 0 "[ . 1 . 2]" 1
243 1 26 ARG HA 1 27 ILE H 3.400 . 5.000 3.525 3.433 3.552 . 0 0 "[ . 1 . 2]" 1
244 1 26 ARG QB 1 26 ARG QD . . 3.300 2.306 2.133 2.924 . 0 0 "[ . 1 . 2]" 1
245 1 26 ARG QB 1 26 ARG QD 2.250 . 2.700 1.914 1.852 1.999 . 0 0 "[ . 1 . 2]" 1
246 1 26 ARG QB 1 26 ARG QG 2.250 . 2.700 2.088 2.022 2.114 . 0 0 "[ . 1 . 2]" 1
247 1 26 ARG QB 1 27 ILE H 3.400 . 5.000 2.517 2.082 2.910 . 0 0 "[ . 1 . 2]" 1
248 1 26 ARG QB 1 27 ILE HA 3.900 . 6.000 2.806 2.157 3.751 . 0 0 "[ . 1 . 2]" 1
249 1 26 ARG QB 1 30 LYS H 3.400 . 5.000 2.478 2.321 2.601 . 0 0 "[ . 1 . 2]" 1
250 1 26 ARG QD 1 46 LEU QD 3.650 . 5.500 5.584 5.476 5.738 0.238 10 0 "[ . 1 . 2]" 1
251 1 26 ARG QG 1 30 LYS H 3.400 . 5.000 1.930 1.739 2.324 0.061 14 0 "[ . 1 . 2]" 1
252 1 27 ILE H 1 27 ILE HB 3.400 . 5.000 2.908 2.429 3.587 . 0 0 "[ . 1 . 2]" 1
253 1 27 ILE H 1 27 ILE MD 3.650 . 5.500 3.960 3.401 4.303 . 0 0 "[ . 1 . 2]" 1
254 1 27 ILE H 1 27 ILE HG12 3.400 . 5.000 3.582 1.792 4.639 0.008 20 0 "[ . 1 . 2]" 1
255 1 27 ILE H 1 27 ILE HG13 3.400 . 5.000 3.921 2.381 4.696 . 0 0 "[ . 1 . 2]" 1
256 1 27 ILE H 1 27 ILE MG 3.650 . 5.500 2.087 1.810 2.546 . 0 0 "[ . 1 . 2]" 1
257 1 27 ILE H 1 28 LEU H 3.400 . 5.000 2.689 2.522 3.059 . 0 0 "[ . 1 . 2]" 1
258 1 27 ILE H 1 28 LEU QB 3.400 . 5.000 4.465 4.271 4.799 . 0 0 "[ . 1 . 2]" 1
259 1 27 ILE H 1 28 LEU QD 3.650 . 5.500 5.271 4.585 5.658 0.158 2 0 "[ . 1 . 2]" 1
260 1 27 ILE HA 1 27 ILE MD 3.650 . 5.500 2.932 2.012 3.998 . 0 0 "[ . 1 . 2]" 1
261 1 27 ILE HA 1 27 ILE MD 2.800 . 3.800 2.238 1.931 3.289 . 0 0 "[ . 1 . 2]" 1
262 1 27 ILE HA 1 27 ILE HG12 3.400 . 5.000 3.326 2.552 3.691 . 0 0 "[ . 1 . 2]" 1
263 1 27 ILE HA 1 28 LEU H 3.400 . 5.000 3.531 3.492 3.555 . 0 0 "[ . 1 . 2]" 1
264 1 27 ILE HA 1 30 LYS QB 2.550 . 3.300 2.553 2.119 2.960 . 0 0 "[ . 1 . 2]" 1
265 1 27 ILE HA 1 46 LEU QD 4.150 . 6.500 4.898 4.714 5.376 . 0 0 "[ . 1 . 2]" 1
266 1 27 ILE HA 1 54 ILE HG12 3.900 . 6.000 2.625 2.493 2.910 . 0 0 "[ . 1 . 2]" 1
267 1 27 ILE HB 1 27 ILE MD 2.800 . 3.800 2.344 2.158 3.133 . 0 0 "[ . 1 . 2]" 1
268 1 27 ILE HB 1 27 ILE HG13 2.250 . 2.700 2.528 2.301 3.010 0.310 8 0 "[ . 1 . 2]" 1
269 1 27 ILE HB 1 28 LEU H 3.400 . 5.000 3.726 3.391 4.020 . 0 0 "[ . 1 . 2]" 1
270 1 27 ILE HB 1 54 ILE MG 4.150 . 6.500 2.438 1.900 3.447 . 0 0 "[ . 1 . 2]" 1
271 1 27 ILE MD 1 46 LEU QD 4.400 . 7.000 3.240 1.996 4.502 . 0 0 "[ . 1 . 2]" 1
272 1 27 ILE MD 1 46 LEU QD 4.400 . 7.000 5.455 4.587 6.136 . 0 0 "[ . 1 . 2]" 1
273 1 27 ILE MD 1 46 LEU QD 4.400 . 7.000 5.649 4.109 7.061 0.061 7 0 "[ . 1 . 2]" 1
274 1 27 ILE MD 1 53 LEU QB 4.150 . 6.500 3.763 2.376 4.562 . 0 0 "[ . 1 . 2]" 1
275 1 27 ILE MD 1 53 LEU QB 4.400 . 7.000 3.782 2.383 4.429 . 0 0 "[ . 1 . 2]" 1
276 1 27 ILE MD 1 57 TYR QB 3.650 . 5.500 2.708 1.918 3.598 . 0 0 "[ . 1 . 2]" 1
277 1 27 ILE MD 1 57 TYR HA 4.150 . 6.500 5.178 4.140 6.484 . 0 0 "[ . 1 . 2]" 1
278 1 27 ILE MD 1 57 TYR QB 4.150 . 6.500 2.826 1.922 3.984 . 0 0 "[ . 1 . 2]" 1
279 1 27 ILE MD 1 73 LEU QD 4.400 . 7.000 4.541 3.630 5.855 . 0 0 "[ . 1 . 2]" 1
280 1 27 ILE HG12 1 27 ILE MG 2.500 . 3.200 2.355 2.173 3.176 . 0 0 "[ . 1 . 2]" 1
281 1 27 ILE HG12 1 28 LEU H 3.400 . 5.000 3.316 1.850 4.700 . 0 0 "[ . 1 . 2]" 1
282 1 27 ILE HG12 1 73 LEU QD 4.150 . 6.500 5.556 4.640 6.515 0.015 11 0 "[ . 1 . 2]" 1
283 1 27 ILE HG13 1 28 LEU H 3.400 . 5.000 3.604 1.770 4.860 0.030 16 0 "[ . 1 . 2]" 1
284 1 27 ILE HG13 1 28 LEU HA 3.400 . 5.000 4.394 3.100 5.272 0.272 15 0 "[ . 1 . 2]" 1
285 1 27 ILE HG13 1 28 LEU QD 4.400 . 7.000 4.692 3.019 5.750 . 0 0 "[ . 1 . 2]" 1
286 1 27 ILE MG 1 53 LEU QB 4.150 . 6.500 5.036 2.887 6.555 0.055 9 0 "[ . 1 . 2]" 1
287 1 28 LEU H 1 28 LEU QB 3.400 . 5.000 2.190 2.055 2.262 . 0 0 "[ . 1 . 2]" 1
288 1 28 LEU H 1 28 LEU QD 3.650 . 5.500 3.453 3.082 3.707 . 0 0 "[ . 1 . 2]" 1
289 1 28 LEU H 1 29 ALA H 3.400 . 5.000 2.611 2.287 2.739 . 0 0 "[ . 1 . 2]" 1
290 1 28 LEU H 1 54 ILE MD 3.650 . 5.500 5.551 5.434 5.631 0.131 4 0 "[ . 1 . 2]" 1
291 1 28 LEU HA 1 28 LEU QB 2.550 . 2.700 2.414 2.340 2.493 . 0 0 "[ . 1 . 2]" 1
292 1 28 LEU HA 1 28 LEU QD 2.500 . 3.200 2.146 1.983 2.264 . 0 0 "[ . 1 . 2]" 1
293 1 28 LEU HA 1 28 LEU HG 3.400 . 5.000 2.861 2.465 3.625 . 0 0 "[ . 1 . 2]" 1
294 1 28 LEU HA 1 29 ALA H 3.400 . 5.000 3.530 3.449 3.565 . 0 0 "[ . 1 . 2]" 1
295 1 28 LEU HA 1 31 LEU H 3.400 . 5.000 3.667 3.145 4.383 . 0 0 "[ . 1 . 2]" 1
296 1 28 LEU HA 1 31 LEU QB 3.400 . 5.000 3.467 2.302 4.685 . 0 0 "[ . 1 . 2]" 1
297 1 28 LEU HA 1 31 LEU QD 2.800 . 3.800 2.402 1.943 3.090 . 0 0 "[ . 1 . 2]" 1
298 1 28 LEU QB 1 30 LYS H 3.400 . 5.000 3.185 1.937 3.792 . 0 0 "[ . 1 . 2]" 1
299 1 28 LEU QD 1 29 ALA H 3.650 . 5.500 3.974 3.338 4.280 . 0 0 "[ . 1 . 2]" 1
300 1 28 LEU QD 1 31 LEU QB 3.650 . 5.500 3.313 2.327 4.045 . 0 0 "[ . 1 . 2]" 1
301 1 28 LEU QD 1 31 LEU QD 3.900 . 6.000 2.872 2.075 4.047 . 0 0 "[ . 1 . 2]" 1
302 1 29 ALA HA 1 32 GLN H 3.400 . 5.000 3.148 3.034 3.327 . 0 0 "[ . 1 . 2]" 1
303 1 29 ALA MB 1 33 ARG H 3.650 . 5.500 5.152 4.271 5.722 0.222 20 0 "[ . 1 . 2]" 1
304 1 30 LYS H 1 31 LEU H 3.400 . 5.000 2.629 2.478 2.781 . 0 0 "[ . 1 . 2]" 1
305 1 30 LYS H 1 32 GLN H 3.400 . 5.000 4.343 4.118 4.552 . 0 0 "[ . 1 . 2]" 1
306 1 30 LYS HA 1 30 LYS QB 2.550 . 3.300 2.379 2.189 2.488 . 0 0 "[ . 1 . 2]" 1
307 1 30 LYS HA 1 30 LYS QB 2.250 . 2.700 2.062 1.944 2.131 . 0 0 "[ . 1 . 2]" 1
308 1 30 LYS HA 1 30 LYS QE 3.400 . 5.000 2.712 2.176 3.066 . 0 0 "[ . 1 . 2]" 1
309 1 30 LYS QB 1 50 LEU HG 3.900 . 6.000 4.480 3.756 5.500 . 0 0 "[ . 1 . 2]" 1
310 1 30 LYS QB 1 30 LYS QE 3.400 . 5.000 2.981 1.987 3.774 . 0 0 "[ . 1 . 2]" 1
311 1 30 LYS QB 1 46 LEU QD 3.650 . 5.500 3.782 2.964 4.375 . 0 0 "[ . 1 . 2]" 1
312 1 30 LYS QB 1 46 LEU QD 3.650 . 5.500 3.894 2.946 4.524 . 0 0 "[ . 1 . 2]" 1
313 1 30 LYS QD 1 50 LEU HG 3.900 . 6.000 5.211 3.972 6.217 0.217 16 0 "[ . 1 . 2]" 1
314 1 30 LYS QE 1 46 LEU QD 4.150 . 6.500 2.880 1.874 4.193 . 0 0 "[ . 1 . 2]" 1
315 1 30 LYS QG 1 34 ILE HG13 3.400 . 5.000 4.013 2.295 5.209 0.209 14 0 "[ . 1 . 2]" 1
316 1 30 LYS QG 1 46 LEU QD 3.650 . 5.500 3.206 2.042 5.238 . 0 0 "[ . 1 . 2]" 1
317 1 30 LYS QG 1 46 LEU QD 2.800 . 3.800 2.161 1.904 2.836 . 0 0 "[ . 1 . 2]" 1
318 1 30 LYS QG 1 50 LEU HG 3.900 . 6.000 5.043 3.145 6.045 0.045 11 0 "[ . 1 . 2]" 1
319 1 30 LYS QG 1 73 LEU QD 4.150 . 6.500 6.099 4.914 6.696 0.196 13 0 "[ . 1 . 2]" 1
320 1 31 LEU H 1 31 LEU QB 3.400 . 5.000 2.269 2.112 2.622 . 0 0 "[ . 1 . 2]" 1
321 1 31 LEU H 1 31 LEU QD 3.650 . 5.500 2.690 1.741 3.584 0.059 14 0 "[ . 1 . 2]" 1
322 1 31 LEU H 1 31 LEU HG 3.400 . 5.000 3.921 1.801 4.572 . 0 0 "[ . 1 . 2]" 1
323 1 31 LEU H 1 32 GLN H 3.400 . 5.000 2.708 2.635 2.846 . 0 0 "[ . 1 . 2]" 1
324 1 31 LEU H 1 32 GLN QB 3.400 . 5.000 4.535 4.365 4.810 . 0 0 "[ . 1 . 2]" 1
325 1 31 LEU HA 1 31 LEU QB . . 2.700 2.426 2.323 2.518 . 0 0 "[ . 1 . 2]" 1
326 1 31 LEU HA 1 31 LEU QD 2.500 . 3.200 2.076 1.943 2.283 . 0 0 "[ . 1 . 2]" 1
327 1 31 LEU HA 1 34 ILE HB 3.400 . 5.000 2.676 2.318 3.394 . 0 0 "[ . 1 . 2]" 1
328 1 31 LEU HA 1 34 ILE MD 4.150 . 6.500 3.671 2.282 5.028 . 0 0 "[ . 1 . 2]" 1
329 1 31 LEU QB 1 32 GLN H 3.400 . 5.000 2.630 2.497 2.935 . 0 0 "[ . 1 . 2]" 1
330 1 31 LEU QB 1 34 ILE HG13 3.900 . 6.000 5.192 4.190 5.978 . 0 0 "[ . 1 . 2]" 1
331 1 31 LEU QD 1 34 ILE HA 4.150 . 6.500 5.291 4.654 6.334 . 0 0 "[ . 1 . 2]" 1
332 1 31 LEU QD 1 34 ILE HB 3.650 . 5.500 2.872 2.232 3.568 . 0 0 "[ . 1 . 2]" 1
333 1 31 LEU QD 1 34 ILE MD 4.400 . 7.000 3.637 2.145 5.121 . 0 0 "[ . 1 . 2]" 1
334 1 31 LEU HG 1 73 LEU QD 4.150 . 6.500 4.178 2.511 5.893 . 0 0 "[ . 1 . 2]" 1
335 1 32 GLN H 1 32 GLN QB 3.400 . 5.000 2.313 2.175 2.474 . 0 0 "[ . 1 . 2]" 1
336 1 32 GLN H 1 33 ARG H 3.400 . 5.000 2.752 2.483 2.961 . 0 0 "[ . 1 . 2]" 1
337 1 32 GLN HA 1 32 GLN QB 2.250 . 2.700 2.170 2.136 2.209 . 0 0 "[ . 1 . 2]" 1
338 1 32 GLN HA 1 32 GLN QG 2.250 . 2.700 2.492 2.311 2.805 0.105 1 0 "[ . 1 . 2]" 1
339 1 32 GLN QB 1 33 ARG H 3.400 . 5.000 2.509 2.279 2.635 . 0 0 "[ . 1 . 2]" 1
340 1 32 GLN QG 1 35 HIS QB 3.900 . 6.000 4.134 3.556 5.422 . 0 0 "[ . 1 . 2]" 1
341 1 33 ARG H 1 33 ARG QB 3.400 . 5.000 2.245 2.130 2.355 . 0 0 "[ . 1 . 2]" 1
342 1 33 ARG H 1 33 ARG QG 3.400 . 5.000 3.619 2.329 3.966 . 0 0 "[ . 1 . 2]" 1
343 1 33 ARG H 1 34 ILE H 3.400 . 5.000 2.621 2.559 2.690 . 0 0 "[ . 1 . 2]" 1
344 1 33 ARG HA 1 33 ARG QG 2.550 . 3.300 2.353 2.269 2.482 . 0 0 "[ . 1 . 2]" 1
345 1 33 ARG HA 1 36 ASN H 3.400 . 5.000 3.719 3.423 4.011 . 0 0 "[ . 1 . 2]" 1
346 1 33 ARG HA 1 37 SER H 3.400 . 5.000 3.972 3.277 4.656 . 0 0 "[ . 1 . 2]" 1
347 1 33 ARG QB 1 33 ARG QD 2.550 . 3.300 2.230 2.119 2.333 . 0 0 "[ . 1 . 2]" 1
348 1 33 ARG QB 1 35 HIS H 3.400 . 5.000 2.641 2.520 2.990 . 0 0 "[ . 1 . 2]" 1
349 1 33 ARG QB 1 34 ILE MG 3.650 . 5.500 5.140 4.973 5.271 . 0 0 "[ . 1 . 2]" 1
350 1 33 ARG QB 1 35 HIS QB 3.900 . 6.000 4.737 4.461 5.163 . 0 0 "[ . 1 . 2]" 1
351 1 33 ARG QB 1 37 SER QB 3.400 . 5.000 3.778 3.013 4.289 . 0 0 "[ . 1 . 2]" 1
352 1 33 ARG QD 1 33 ARG QG 2.250 . 2.700 2.072 2.022 2.113 . 0 0 "[ . 1 . 2]" 1
353 1 33 ARG QD 1 34 ILE MD 4.150 . 6.500 4.599 3.248 6.416 . 0 0 "[ . 1 . 2]" 1
354 1 33 ARG QD 1 43 ARG QB 3.400 . 5.000 4.999 4.792 5.081 0.081 16 0 "[ . 1 . 2]" 1
355 1 33 ARG QD 1 43 ARG QG 3.400 . 5.000 4.363 3.161 5.093 0.093 2 0 "[ . 1 . 2]" 1
356 1 34 ILE H 1 34 ILE MD 3.650 . 5.500 3.154 1.723 3.829 0.077 4 0 "[ . 1 . 2]" 1
357 1 34 ILE H 1 34 ILE HG13 3.650 . 5.500 3.069 1.920 3.650 . 0 0 "[ . 1 . 2]" 1
358 1 34 ILE H 1 34 ILE MG 3.650 . 5.500 3.741 3.723 3.756 . 0 0 "[ . 1 . 2]" 1
359 1 34 ILE H 1 35 HIS H 3.400 . 5.000 2.666 2.468 2.809 . 0 0 "[ . 1 . 2]" 1
360 1 34 ILE HA 1 34 ILE HB 2.550 . 3.300 3.024 3.004 3.030 . 0 0 "[ . 1 . 2]" 1
361 1 34 ILE HA 1 34 ILE MD 2.800 . 3.800 2.648 2.064 3.815 0.015 3 0 "[ . 1 . 2]" 1
362 1 34 ILE HA 1 34 ILE HG12 2.550 . 3.300 2.914 2.498 3.592 0.292 4 0 "[ . 1 . 2]" 1
363 1 34 ILE HA 1 34 ILE MG 2.800 . 3.800 2.353 2.251 2.542 . 0 0 "[ . 1 . 2]" 1
364 1 34 ILE HA 1 37 SER QB 3.900 . 6.000 3.011 2.449 4.137 . 0 0 "[ . 1 . 2]" 1
365 1 34 ILE HA 1 46 LEU QB 3.900 . 6.000 5.773 4.992 6.085 0.085 7 0 "[ . 1 . 2]" 1
366 1 34 ILE HB 1 34 ILE MD 2.800 . 3.800 2.903 2.249 3.235 . 0 0 "[ . 1 . 2]" 1
367 1 34 ILE HB 1 34 ILE HG13 2.550 . 3.300 2.506 2.336 3.034 . 0 0 "[ . 1 . 2]" 1
368 1 34 ILE MD 1 35 HIS H 3.650 . 5.500 4.555 3.912 4.876 . 0 0 "[ . 1 . 2]" 1
369 1 34 ILE MD 1 35 HIS HA 4.150 . 6.500 5.815 5.677 5.978 . 0 0 "[ . 1 . 2]" 1
370 1 34 ILE MD 1 37 SER QB 4.150 . 6.500 4.335 3.227 6.516 0.016 16 0 "[ . 1 . 2]" 1
371 1 34 ILE MD 1 43 ARG HA 4.150 . 6.500 5.388 4.380 6.638 0.138 16 0 "[ . 1 . 2]" 1
372 1 34 ILE MD 1 47 MET QB 4.150 . 6.500 4.650 3.044 6.094 . 0 0 "[ . 1 . 2]" 1
373 1 34 ILE MD 1 50 LEU HG 3.650 . 5.500 4.465 2.286 5.569 0.069 5 0 "[ . 1 . 2]" 1
374 1 34 ILE MG 1 39 ILE H 3.650 . 5.500 3.653 3.236 4.236 . 0 0 "[ . 1 . 2]" 1
375 1 34 ILE MG 1 40 LEU H 3.650 . 5.500 3.723 2.718 3.881 . 0 0 "[ . 1 . 2]" 1
376 1 35 HIS H 1 35 HIS QB 3.400 . 5.000 2.259 2.242 2.401 . 0 0 "[ . 1 . 2]" 1
377 1 35 HIS H 1 35 HIS QB 3.400 . 5.000 2.251 2.234 2.387 . 0 0 "[ . 1 . 2]" 1
378 1 35 HIS H 1 36 ASN H 3.400 . 5.000 2.905 2.735 3.157 . 0 0 "[ . 1 . 2]" 1
379 1 35 HIS HA 1 35 HIS QB 2.550 . 3.300 2.363 2.341 2.407 . 0 0 "[ . 1 . 2]" 1
380 1 35 HIS HA 1 36 ASN H 3.400 . 5.000 3.572 3.554 3.581 . 0 0 "[ . 1 . 2]" 1
381 1 35 HIS HA 1 37 SER H 3.400 . 5.000 4.704 4.522 5.024 0.024 16 0 "[ . 1 . 2]" 1
382 1 35 HIS QB 1 36 ASN H 3.400 . 5.000 2.290 2.049 2.488 . 0 0 "[ . 1 . 2]" 1
383 1 35 HIS QB 1 36 ASN H 3.400 . 5.000 2.058 1.900 2.315 . 0 0 "[ . 1 . 2]" 1
384 1 35 HIS QB 1 37 SER H 3.400 . 5.000 4.508 4.292 4.688 . 0 0 "[ . 1 . 2]" 1
385 1 36 ASN H 1 36 ASN QB 3.400 . 5.000 2.355 2.247 2.777 . 0 0 "[ . 1 . 2]" 1
386 1 36 ASN H 1 37 SER H 3.400 . 5.000 2.556 2.344 2.647 . 0 0 "[ . 1 . 2]" 1
387 1 36 ASN HA 1 36 ASN QB 2.550 . 3.300 2.352 2.184 2.436 . 0 0 "[ . 1 . 2]" 1
388 1 36 ASN QB 1 37 SER H 3.400 . 5.000 2.671 2.391 3.423 . 0 0 "[ . 1 . 2]" 1
389 1 37 SER H 1 37 SER QB 3.400 . 5.000 2.467 2.164 2.763 . 0 0 "[ . 1 . 2]" 1
390 1 37 SER H 1 43 ARG QB 3.400 . 5.000 5.136 4.979 5.285 0.285 6 0 "[ . 1 . 2]" 1
391 1 37 SER HA 1 37 SER QB . . 2.700 2.316 2.176 2.495 . 0 0 "[ . 1 . 2]" 1
392 1 37 SER HA 1 38 ASN H 3.400 . 5.000 3.081 3.039 3.126 . 0 0 "[ . 1 . 2]" 1
393 1 37 SER QB 1 38 ASN H 3.400 . 5.000 3.757 3.640 4.008 . 0 0 "[ . 1 . 2]" 1
394 1 37 SER QB 1 46 LEU QB 3.900 . 6.000 2.667 2.276 2.912 . 0 0 "[ . 1 . 2]" 1
395 1 37 SER QB 1 43 ARG QG 3.900 . 6.000 2.648 2.009 3.832 . 0 0 "[ . 1 . 2]" 1
396 1 37 SER QB 1 46 LEU QD 3.650 . 5.500 5.286 4.199 5.920 0.420 13 0 "[ . 1 . 2]" 1
397 1 38 ASN H 1 38 ASN QB 3.400 . 5.000 2.341 2.211 2.504 . 0 0 "[ . 1 . 2]" 1
398 1 38 ASN H 1 39 ILE H 3.400 . 5.000 4.503 4.436 4.643 . 0 0 "[ . 1 . 2]" 1
399 1 38 ASN HA 1 38 ASN QB 2.550 . 3.300 2.294 2.188 2.433 . 0 0 "[ . 1 . 2]" 1
400 1 38 ASN HA 1 39 ILE H 3.400 . 5.000 2.149 2.107 2.277 . 0 0 "[ . 1 . 2]" 1
401 1 38 ASN QB 1 39 ILE H 3.400 . 5.000 3.494 2.724 3.835 . 0 0 "[ . 1 . 2]" 1
402 1 39 ILE H 1 39 ILE HG12 3.400 . 5.000 3.048 2.643 3.414 . 0 0 "[ . 1 . 2]" 1
403 1 39 ILE H 1 39 ILE MG 3.650 . 5.500 3.588 2.357 3.947 . 0 0 "[ . 1 . 2]" 1
404 1 39 ILE H 1 39 ILE MG 3.650 . 5.500 3.380 2.353 3.793 . 0 0 "[ . 1 . 2]" 1
405 1 39 ILE H 1 43 ARG QB 3.400 . 5.000 4.497 3.686 5.211 0.211 15 0 "[ . 1 . 2]" 1
406 1 39 ILE HA 1 39 ILE HB 2.800 . 3.800 2.191 2.081 2.242 . 0 0 "[ . 1 . 2]" 1
407 1 39 ILE HA 1 39 ILE MD 2.800 . 3.800 3.712 2.098 4.094 0.294 1 0 "[ . 1 . 2]" 1
408 1 39 ILE HA 1 39 ILE HG13 2.550 . 3.300 3.317 2.968 3.723 0.423 5 0 "[ . 1 . 2]" 1
409 1 39 ILE HA 1 39 ILE MG 2.800 . 3.800 2.274 2.223 2.312 . 0 0 "[ . 1 . 2]" 1
410 1 39 ILE HB 1 39 ILE MD 2.800 . 3.800 2.382 2.237 3.209 . 0 0 "[ . 1 . 2]" 1
411 1 39 ILE HB 1 39 ILE MD 3.050 . 4.300 1.850 1.788 1.885 0.012 12 0 "[ . 1 . 2]" 1
412 1 39 ILE HB 1 39 ILE HG12 2.250 . 2.700 2.948 2.401 3.016 0.316 16 0 "[ . 1 . 2]" 1
413 1 39 ILE HB 1 44 GLN QG 4.150 . 6.500 3.265 2.681 3.775 . 0 0 "[ . 1 . 2]" 1
414 1 39 ILE MD 1 39 ILE MG 3.050 . 3.700 1.945 1.835 2.003 . 0 0 "[ . 1 . 2]" 1
415 1 39 ILE HG12 1 40 LEU H 3.400 . 5.000 4.956 4.668 5.067 0.067 5 0 "[ . 1 . 2]" 1
416 1 39 ILE HG12 1 80 ALA MB 3.650 . 5.500 3.704 2.383 5.559 0.059 8 0 "[ . 1 . 2]" 1
417 1 39 ILE HG13 1 39 ILE MG 2.500 . 3.200 3.096 2.282 3.197 . 0 0 "[ . 1 . 2]" 1
418 1 39 ILE MG 1 47 MET QB 4.150 . 6.500 4.373 3.463 5.156 . 0 0 "[ . 1 . 2]" 1
419 1 39 ILE MG 1 44 GLN QB 4.150 . 6.500 5.339 4.493 6.586 0.086 1 0 "[ . 1 . 2]" 1
420 1 39 ILE MG 1 47 MET QB 4.150 . 6.500 5.812 5.035 6.537 0.037 16 0 "[ . 1 . 2]" 1
421 1 39 ILE MG 1 47 MET QG 3.650 . 5.500 5.463 4.618 5.707 0.207 19 0 "[ . 1 . 2]" 1
422 1 39 ILE MG 1 80 ALA MB 2.750 . 3.700 3.522 2.544 3.813 0.113 18 0 "[ . 1 . 2]" 1
423 1 40 LEU H 1 40 LEU QB 3.400 . 5.000 2.450 2.344 2.513 . 0 0 "[ . 1 . 2]" 1
424 1 40 LEU HA 1 40 LEU QB 2.550 . 3.300 2.420 2.386 2.541 . 0 0 "[ . 1 . 2]" 1
425 1 40 LEU HA 1 40 LEU HG 2.550 . 3.300 2.873 2.324 3.559 0.259 10 0 "[ . 1 . 2]" 1
426 1 40 LEU HA 1 41 ASP H 3.400 . 5.000 2.169 2.120 2.252 . 0 0 "[ . 1 . 2]" 1
427 1 40 LEU HA 1 43 ARG H 3.400 . 5.000 4.456 4.208 4.741 . 0 0 "[ . 1 . 2]" 1
428 1 40 LEU HA 1 43 ARG QB 3.400 . 5.000 4.604 4.115 5.049 0.049 12 0 "[ . 1 . 2]" 1
429 1 40 LEU QB 1 40 LEU HG 2.250 . 2.700 2.375 2.186 2.400 . 0 0 "[ . 1 . 2]" 1
430 1 40 LEU QB 1 41 ASP H 3.400 . 5.000 2.751 2.239 3.307 . 0 0 "[ . 1 . 2]" 1
431 1 40 LEU QB 1 41 ASP H 3.400 . 5.000 3.648 3.350 3.826 . 0 0 "[ . 1 . 2]" 1
432 1 40 LEU QD 1 41 ASP H 3.650 . 5.500 2.246 1.835 2.812 . 0 0 "[ . 1 . 2]" 1
433 1 40 LEU QD 1 42 GLU H 3.650 . 5.500 2.734 1.755 3.166 0.045 7 0 "[ . 1 . 2]" 1
434 1 40 LEU QD 1 44 GLN H 3.650 . 5.500 4.507 3.974 4.971 . 0 0 "[ . 1 . 2]" 1
435 1 40 LEU HG 1 42 GLU QB 3.900 . 6.000 3.097 2.300 4.876 . 0 0 "[ . 1 . 2]" 1
436 1 40 LEU HG 1 44 GLN QG 3.900 . 6.000 5.256 4.959 6.039 0.039 10 0 "[ . 1 . 2]" 1
437 1 41 ASP H 1 41 ASP QB 3.400 . 5.000 2.382 2.190 2.521 . 0 0 "[ . 1 . 2]" 1
438 1 41 ASP H 1 42 GLU H 3.400 . 5.000 2.876 2.705 2.991 . 0 0 "[ . 1 . 2]" 1
439 1 41 ASP HA 1 41 ASP QB 2.550 . 2.700 2.356 2.178 2.449 . 0 0 "[ . 1 . 2]" 1
440 1 41 ASP HA 1 42 GLU H 3.400 . 5.000 3.504 3.421 3.549 . 0 0 "[ . 1 . 2]" 1
441 1 41 ASP HA 1 42 GLU QB 3.400 . 5.000 5.246 5.129 5.428 0.428 16 0 "[ . 1 . 2]" 1
442 1 41 ASP HA 1 44 GLN H 3.400 . 5.000 3.639 3.293 4.003 . 0 0 "[ . 1 . 2]" 1
443 1 41 ASP HA 1 44 GLN QB 2.550 . 3.300 2.627 2.242 3.348 0.048 20 0 "[ . 1 . 2]" 1
444 1 41 ASP QB 1 42 GLU H 3.400 . 5.000 2.835 2.480 3.647 . 0 0 "[ . 1 . 2]" 1
445 1 42 GLU H 1 42 GLU QB 3.400 . 5.000 2.281 2.237 2.330 . 0 0 "[ . 1 . 2]" 1
446 1 42 GLU H 1 42 GLU QB 3.400 . 5.000 2.268 2.229 2.315 . 0 0 "[ . 1 . 2]" 1
447 1 42 GLU H 1 43 ARG H 3.400 . 5.000 2.595 2.498 2.796 . 0 0 "[ . 1 . 2]" 1
448 1 42 GLU H 1 43 ARG QB 3.400 . 5.000 4.453 4.270 4.797 . 0 0 "[ . 1 . 2]" 1
449 1 42 GLU H 1 44 GLN H 3.400 . 5.000 3.662 3.361 4.020 . 0 0 "[ . 1 . 2]" 1
450 1 42 GLU HA 1 42 GLU QG 2.550 . 3.300 2.456 2.279 2.784 . 0 0 "[ . 1 . 2]" 1
451 1 42 GLU HA 1 42 GLU QG 2.550 . 3.300 2.185 2.036 2.655 . 0 0 "[ . 1 . 2]" 1
452 1 42 GLU HA 1 43 ARG H 3.400 . 5.000 3.557 3.525 3.584 . 0 0 "[ . 1 . 2]" 1
453 1 42 GLU QB 1 43 ARG H 3.400 . 5.000 2.057 1.924 2.169 . 0 0 "[ . 1 . 2]" 1
454 1 42 GLU QB 1 43 ARG H 3.400 . 5.000 2.376 2.164 2.626 . 0 0 "[ . 1 . 2]" 1
455 1 42 GLU QB 1 44 GLN H 3.400 . 5.000 2.430 2.006 2.735 . 0 0 "[ . 1 . 2]" 1
456 1 42 GLU QB 1 44 GLN H 3.400 . 5.000 2.250 2.094 2.500 . 0 0 "[ . 1 . 2]" 1
457 1 43 ARG H 1 43 ARG QB 3.400 . 5.000 2.287 2.140 2.566 . 0 0 "[ . 1 . 2]" 1
458 1 43 ARG H 1 44 GLN H 3.400 . 5.000 2.479 2.302 2.707 . 0 0 "[ . 1 . 2]" 1
459 1 43 ARG H 1 45 GLY H 3.400 . 5.000 4.487 4.303 4.616 . 0 0 "[ . 1 . 2]" 1
460 1 43 ARG HA 1 43 ARG QG 2.550 . 3.300 2.507 2.261 3.061 . 0 0 "[ . 1 . 2]" 1
461 1 43 ARG HA 1 44 GLN H 3.400 . 5.000 3.436 3.367 3.552 . 0 0 "[ . 1 . 2]" 1
462 1 43 ARG HA 1 46 LEU H 3.400 . 5.000 2.977 2.847 3.102 . 0 0 "[ . 1 . 2]" 1
463 1 43 ARG HA 1 46 LEU QB . . 2.700 2.675 2.278 2.920 0.220 9 0 "[ . 1 . 2]" 1
464 1 43 ARG QB 1 44 GLN H 3.400 . 5.000 3.016 2.506 3.172 . 0 0 "[ . 1 . 2]" 1
465 1 43 ARG QB 1 45 GLY H 3.400 . 5.000 3.697 3.617 3.814 . 0 0 "[ . 1 . 2]" 1
466 1 43 ARG QB 1 45 GLY H 3.400 . 5.000 4.747 4.537 4.996 . 0 0 "[ . 1 . 2]" 1
467 1 43 ARG QB 1 46 LEU H 3.400 . 5.000 4.397 3.733 4.804 . 0 0 "[ . 1 . 2]" 1
468 1 43 ARG QB 1 46 LEU H 3.400 . 5.000 2.173 2.061 2.258 . 0 0 "[ . 1 . 2]" 1
469 1 43 ARG QB 1 46 LEU QB 3.400 . 5.000 3.546 2.558 4.132 . 0 0 "[ . 1 . 2]" 1
470 1 44 GLN H 1 44 GLN QG 3.400 . 5.000 2.619 2.086 3.139 . 0 0 "[ . 1 . 2]" 1
471 1 44 GLN H 1 45 GLY H 3.400 . 5.000 2.857 2.725 3.023 . 0 0 "[ . 1 . 2]" 1
472 1 44 GLN HA 1 44 GLN QG 3.400 . 5.000 2.307 2.222 2.605 . 0 0 "[ . 1 . 2]" 1
473 1 44 GLN HA 1 46 LEU H 3.400 . 5.000 2.690 2.614 2.745 . 0 0 "[ . 1 . 2]" 1
474 1 44 GLN HA 1 47 MET QB 3.400 . 5.000 2.852 2.339 3.187 . 0 0 "[ . 1 . 2]" 1
475 1 44 GLN HA 1 47 MET QB 2.550 . 3.300 2.895 2.345 3.268 . 0 0 "[ . 1 . 2]" 1
476 1 44 GLN QB 1 45 GLY H 3.400 . 5.000 2.746 2.472 2.871 . 0 0 "[ . 1 . 2]" 1
477 1 44 GLN QB 1 46 LEU H 3.400 . 5.000 4.718 4.525 4.940 . 0 0 "[ . 1 . 2]" 1
478 1 44 GLN QB 1 80 ALA MB 4.150 . 6.500 6.210 4.608 6.620 0.120 14 0 "[ . 1 . 2]" 1
479 1 44 GLN QB 1 81 LEU QD 3.650 . 5.500 4.799 3.749 5.447 . 0 0 "[ . 1 . 2]" 1
480 1 44 GLN QG 1 45 GLY H 3.400 . 5.000 4.376 4.098 4.584 . 0 0 "[ . 1 . 2]" 1
481 1 44 GLN QG 1 47 MET QG 3.900 . 6.000 4.848 4.020 5.766 . 0 0 "[ . 1 . 2]" 1
482 1 44 GLN QG 1 81 LEU QD 3.650 . 5.500 5.177 4.091 5.661 0.161 7 0 "[ . 1 . 2]" 1
483 1 45 GLY H 1 46 LEU H 3.400 . 5.000 2.555 2.477 2.663 . 0 0 "[ . 1 . 2]" 1
484 1 45 GLY H 1 46 LEU HA 3.400 . 5.000 5.166 5.102 5.256 0.256 9 0 "[ . 1 . 2]" 1
485 1 45 GLY QA 1 46 LEU H 3.400 . 5.000 2.716 2.628 2.786 . 0 0 "[ . 1 . 2]" 1
486 1 45 GLY QA 1 48 HIS QB 3.400 . 5.000 3.314 2.779 3.898 . 0 0 "[ . 1 . 2]" 1
487 1 46 LEU H 1 46 LEU QB 3.400 . 5.000 2.185 2.067 2.270 . 0 0 "[ . 1 . 2]" 1
488 1 46 LEU H 1 46 LEU QD 3.650 . 5.500 3.607 2.913 3.780 . 0 0 "[ . 1 . 2]" 1
489 1 46 LEU H 1 47 MET H 3.400 . 5.000 2.635 2.568 2.699 . 0 0 "[ . 1 . 2]" 1
490 1 46 LEU HA 1 46 LEU QB 2.550 . 3.300 2.456 2.320 2.570 . 0 0 "[ . 1 . 2]" 1
491 1 46 LEU HA 1 46 LEU QD 2.500 . 3.200 1.958 1.740 2.273 0.060 20 0 "[ . 1 . 2]" 1
492 1 46 LEU HA 1 46 LEU QD 2.500 . 3.200 1.878 1.758 2.050 0.042 11 0 "[ . 1 . 2]" 1
493 1 46 LEU HA 1 47 MET H 3.400 . 5.000 3.073 2.990 3.144 . 0 0 "[ . 1 . 2]" 1
494 1 46 LEU HA 1 48 HIS H 3.400 . 5.000 4.185 3.786 4.433 . 0 0 "[ . 1 . 2]" 1
495 1 46 LEU QB 1 47 MET H 3.400 . 5.000 2.329 2.273 2.412 . 0 0 "[ . 1 . 2]" 1
496 1 46 LEU QD 1 47 MET H 3.650 . 5.500 3.182 3.047 3.320 . 0 0 "[ . 1 . 2]" 1
497 1 46 LEU QD 1 47 MET QB 3.650 . 5.500 3.238 2.235 4.047 . 0 0 "[ . 1 . 2]" 1
498 1 46 LEU QD 1 47 MET QG 3.650 . 5.500 2.248 1.907 2.953 . 0 0 "[ . 1 . 2]" 1
499 1 46 LEU QD 1 49 GLU H 3.650 . 5.500 3.879 3.522 4.756 . 0 0 "[ . 1 . 2]" 1
500 1 46 LEU QD 1 49 GLU QG 3.650 . 5.500 3.715 2.905 4.342 . 0 0 "[ . 1 . 2]" 1
501 1 46 LEU QD 1 50 LEU HA . . 3.200 3.244 2.829 3.524 0.324 14 0 "[ . 1 . 2]" 1
502 1 46 LEU QD 1 51 MET H 3.650 . 5.500 4.399 3.927 4.828 . 0 0 "[ . 1 . 2]" 1
503 1 46 LEU QD 1 53 LEU H 3.650 . 5.500 2.818 1.840 3.576 . 0 0 "[ . 1 . 2]" 1
504 1 46 LEU QD 1 53 LEU QB 3.650 . 5.500 3.936 3.375 4.372 . 0 0 "[ . 1 . 2]" 1
505 1 46 LEU QD 1 73 LEU QD 3.900 . 6.000 6.215 6.027 6.405 0.405 14 0 "[ . 1 . 2]" 1
506 1 47 MET H 1 47 MET QB 3.400 . 5.000 2.283 2.189 2.469 . 0 0 "[ . 1 . 2]" 1
507 1 47 MET H 1 47 MET QG 3.400 . 5.000 2.997 2.063 3.577 . 0 0 "[ . 1 . 2]" 1
508 1 47 MET H 1 47 MET QG 3.400 . 5.000 3.190 2.068 3.874 . 0 0 "[ . 1 . 2]" 1
509 1 47 MET H 1 48 HIS H 3.400 . 5.000 2.820 2.675 2.971 . 0 0 "[ . 1 . 2]" 1
510 1 47 MET H 1 48 HIS H 3.400 . 5.000 2.233 2.186 2.278 . 0 0 "[ . 1 . 2]" 1
511 1 47 MET H 1 49 GLU H 3.400 . 5.000 4.387 4.199 4.866 . 0 0 "[ . 1 . 2]" 1
512 1 47 MET H 1 50 LEU QB 3.400 . 5.000 2.233 2.212 2.271 . 0 0 "[ . 1 . 2]" 1
513 1 47 MET HA 1 47 MET QB 2.550 . 3.300 2.422 2.366 2.478 . 0 0 "[ . 1 . 2]" 1
514 1 47 MET HA 1 47 MET QG 2.550 . 3.300 2.384 2.281 2.705 . 0 0 "[ . 1 . 2]" 1
515 1 47 MET HA 1 48 HIS H 3.400 . 5.000 3.547 3.518 3.563 . 0 0 "[ . 1 . 2]" 1
516 1 47 MET HA 1 50 LEU QB 3.900 . 5.000 2.349 2.087 2.600 . 0 0 "[ . 1 . 2]" 1
517 1 47 MET HA 1 77 LEU QD 2.800 . 3.800 2.024 1.835 2.239 . 0 0 "[ . 1 . 2]" 1
518 1 47 MET QB 1 48 HIS H 3.400 . 5.000 2.566 2.384 2.740 . 0 0 "[ . 1 . 2]" 1
519 1 47 MET QB 1 77 LEU QD 4.150 . 6.500 3.384 2.240 4.478 . 0 0 "[ . 1 . 2]" 1
520 1 47 MET QB 1 81 LEU QD 3.650 . 5.500 3.447 2.028 5.268 . 0 0 "[ . 1 . 2]" 1
521 1 47 MET QG 1 48 HIS H 3.400 . 5.000 4.062 3.508 4.592 . 0 0 "[ . 1 . 2]" 1
522 1 47 MET QG 1 50 LEU HG 3.900 . 6.000 5.637 4.414 6.104 0.104 18 0 "[ . 1 . 2]" 1
523 1 47 MET QG 1 77 LEU QD 2.800 . 3.800 2.365 1.907 3.386 . 0 0 "[ . 1 . 2]" 1
524 1 47 MET QG 1 73 LEU QD 4.150 . 6.500 5.898 4.981 6.444 . 0 0 "[ . 1 . 2]" 1
525 1 47 MET QG 1 77 LEU QB 3.900 . 6.000 3.438 2.733 3.794 . 0 0 "[ . 1 . 2]" 1
526 1 47 MET QG 1 77 LEU QD 2.800 . 3.800 2.412 1.910 3.741 . 0 0 "[ . 1 . 2]" 1
527 1 47 MET QG 1 81 LEU QB 3.400 . 5.000 4.747 3.649 5.126 0.126 6 0 "[ . 1 . 2]" 1
528 1 47 MET QG 1 81 LEU QD 4.150 . 6.500 4.133 2.764 5.120 . 0 0 "[ . 1 . 2]" 1
529 1 48 HIS H 1 48 HIS QB 3.400 . 5.000 2.293 2.245 2.503 . 0 0 "[ . 1 . 2]" 1
530 1 48 HIS H 1 81 LEU QD 3.650 . 5.500 3.785 3.055 5.164 . 0 0 "[ . 1 . 2]" 1
531 1 48 HIS HA 1 48 HIS QB 2.550 . 2.700 2.368 2.350 2.423 . 0 0 "[ . 1 . 2]" 1
532 1 48 HIS HA 1 51 MET QB 3.400 . 5.000 3.504 2.971 4.635 . 0 0 "[ . 1 . 2]" 1
533 1 48 HIS HA 1 81 LEU QD 2.800 . 3.800 2.713 2.205 3.753 . 0 0 "[ . 1 . 2]" 1
534 1 48 HIS QB 1 49 GLU H 3.400 . 5.000 2.416 2.100 2.542 . 0 0 "[ . 1 . 2]" 1
535 1 49 GLU H 1 49 GLU QG 3.400 . 5.000 2.823 2.211 4.057 . 0 0 "[ . 1 . 2]" 1
536 1 49 GLU H 1 50 LEU H 3.400 . 5.000 2.490 2.350 2.604 . 0 0 "[ . 1 . 2]" 1
537 1 49 GLU H 1 50 LEU QB 3.400 . 5.000 4.226 4.080 4.363 . 0 0 "[ . 1 . 2]" 1
538 1 49 GLU HA 1 49 GLU QG 2.250 . 2.700 2.467 2.239 2.765 0.065 14 0 "[ . 1 . 2]" 1
539 1 49 GLU HA 1 52 GLU QG 3.400 . 5.000 2.381 2.231 2.708 . 0 0 "[ . 1 . 2]" 1
540 1 49 GLU QG 1 50 LEU H 3.400 . 5.000 4.111 3.472 4.520 . 0 0 "[ . 1 . 2]" 1
541 1 50 LEU H 1 50 LEU QB 3.400 . 5.000 2.210 2.114 2.271 . 0 0 "[ . 1 . 2]" 1
542 1 50 LEU H 1 50 LEU HG 3.650 . 5.500 3.971 3.675 4.288 . 0 0 "[ . 1 . 2]" 1
543 1 50 LEU H 1 51 MET H 3.400 . 5.000 2.693 2.633 2.811 . 0 0 "[ . 1 . 2]" 1
544 1 50 LEU H 1 51 MET QB 3.400 . 5.000 4.475 4.355 5.053 0.053 13 0 "[ . 1 . 2]" 1
545 1 50 LEU H 1 52 GLU H 3.400 . 5.000 4.260 3.914 4.514 . 0 0 "[ . 1 . 2]" 1
546 1 50 LEU HA 1 50 LEU QB 2.250 . 2.700 2.197 2.073 2.428 . 0 0 "[ . 1 . 2]" 1
547 1 50 LEU HA 1 50 LEU QD 2.800 . 3.800 2.129 1.953 2.384 . 0 0 "[ . 1 . 2]" 1
548 1 50 LEU HA 1 53 LEU QB 3.400 . 5.000 2.572 2.267 3.255 . 0 0 "[ . 1 . 2]" 1
549 1 50 LEU QB 1 50 LEU HG 2.550 . 3.300 2.369 2.192 2.499 . 0 0 "[ . 1 . 2]" 1
550 1 50 LEU QB 1 51 MET H 3.400 . 5.000 2.459 1.848 2.675 . 0 0 "[ . 1 . 2]" 1
551 1 50 LEU QB 1 52 GLU H 3.400 . 5.000 3.518 2.159 3.943 . 0 0 "[ . 1 . 2]" 1
552 1 50 LEU QB 1 77 LEU QB 3.400 . 5.000 3.201 3.021 3.359 . 0 0 "[ . 1 . 2]" 1
553 1 50 LEU QB 1 77 LEU QB 3.400 . 5.000 3.338 3.073 3.530 . 0 0 "[ . 1 . 2]" 1
554 1 50 LEU QB 1 77 LEU QD 2.800 . 3.800 2.563 1.951 3.508 . 0 0 "[ . 1 . 2]" 1
555 1 50 LEU QB 1 77 LEU HG 3.400 . 5.000 3.972 2.841 5.178 0.178 16 0 "[ . 1 . 2]" 1
556 1 50 LEU HG 1 54 ILE MD 3.650 . 5.500 3.798 3.070 5.270 . 0 0 "[ . 1 . 2]" 1
557 1 51 MET H 1 51 MET QB 3.400 . 5.000 2.279 2.232 2.633 . 0 0 "[ . 1 . 2]" 1
558 1 51 MET H 1 52 GLU H 3.400 . 5.000 2.747 2.603 2.873 . 0 0 "[ . 1 . 2]" 1
559 1 51 MET H 1 52 GLU QB 3.400 . 5.000 4.715 4.408 5.129 0.129 10 0 "[ . 1 . 2]" 1
560 1 51 MET H 1 53 LEU QB 3.650 . 5.500 3.387 2.545 4.591 . 0 0 "[ . 1 . 2]" 1
561 1 51 MET HA 1 51 MET QB 2.250 . 2.700 2.361 2.183 2.433 . 0 0 "[ . 1 . 2]" 1
562 1 51 MET HA 1 51 MET QB 2.250 . 2.700 2.111 2.026 2.158 . 0 0 "[ . 1 . 2]" 1
563 1 51 MET HA 1 51 MET QG 2.550 . 3.300 2.407 2.292 3.289 . 0 0 "[ . 1 . 2]" 1
564 1 51 MET HA 1 52 GLU H 3.400 . 5.000 3.544 3.466 3.567 . 0 0 "[ . 1 . 2]" 1
565 1 51 MET HA 1 54 ILE H 3.400 . 5.000 3.433 3.147 3.671 . 0 0 "[ . 1 . 2]" 1
566 1 51 MET HA 1 54 ILE HB 3.400 . 5.000 2.821 2.411 3.519 . 0 0 "[ . 1 . 2]" 1
567 1 51 MET HA 1 54 ILE MG 4.150 . 6.500 3.565 2.844 4.547 . 0 0 "[ . 1 . 2]" 1
568 1 51 MET HA 1 74 ARG QG 3.400 . 5.000 2.349 2.182 2.703 . 0 0 "[ . 1 . 2]" 1
569 1 51 MET HA 1 77 LEU QB 3.900 . 6.000 2.594 2.243 2.892 . 0 0 "[ . 1 . 2]" 1
570 1 51 MET QB 1 51 MET QG 2.250 . 2.700 2.095 2.048 2.110 . 0 0 "[ . 1 . 2]" 1
571 1 51 MET QB 1 52 GLU H 3.400 . 5.000 2.552 2.265 3.557 . 0 0 "[ . 1 . 2]" 1
572 1 51 MET QB 1 53 LEU QB 3.900 . 6.000 4.277 3.385 5.235 . 0 0 "[ . 1 . 2]" 1
573 1 51 MET QB 1 54 ILE H 3.400 . 5.000 2.251 2.199 2.357 . 0 0 "[ . 1 . 2]" 1
574 1 51 MET QB 1 54 ILE MD 4.150 . 6.500 6.248 5.604 6.471 . 0 0 "[ . 1 . 2]" 1
575 1 51 MET QB 1 54 ILE MG 3.650 . 5.500 3.643 2.249 4.548 . 0 0 "[ . 1 . 2]" 1
576 1 51 MET QB 1 77 LEU QB 3.900 . 6.000 2.819 2.217 3.889 . 0 0 "[ . 1 . 2]" 1
577 1 51 MET QB 1 77 LEU HG 3.400 . 5.000 4.605 3.971 5.078 0.078 13 0 "[ . 1 . 2]" 1
578 1 51 MET QB 1 78 GLU QB 3.400 . 5.000 4.959 4.170 5.331 0.331 15 0 "[ . 1 . 2]" 1
579 1 51 MET QB 1 81 LEU QD 4.150 . 6.500 4.070 3.175 4.832 . 0 0 "[ . 1 . 2]" 1
580 1 51 MET QG 1 77 LEU QB 3.900 . 6.000 3.067 1.996 3.777 . 0 0 "[ . 1 . 2]" 1
581 1 51 MET QG 1 78 GLU QG 3.400 . 5.000 5.045 3.078 5.727 0.727 13 5 "[ . ** + . -*2]" 1
582 1 52 GLU H 1 52 GLU QG 3.400 . 5.000 2.539 1.781 4.068 0.019 10 0 "[ . 1 . 2]" 1
583 1 52 GLU H 1 53 LEU H 3.400 . 5.000 2.640 2.523 2.860 . 0 0 "[ . 1 . 2]" 1
584 1 52 GLU H 1 53 LEU QB 3.650 . 5.500 4.185 3.956 4.492 . 0 0 "[ . 1 . 2]" 1
585 1 52 GLU H 1 53 LEU QD 3.650 . 5.500 4.351 3.547 5.102 . 0 0 "[ . 1 . 2]" 1
586 1 52 GLU H 1 54 ILE H 3.400 . 5.000 3.894 3.606 4.127 . 0 0 "[ . 1 . 2]" 1
587 1 52 GLU HA 1 52 GLU QG 2.550 . 3.300 2.575 2.259 3.301 0.001 11 0 "[ . 1 . 2]" 1
588 1 52 GLU HA 1 55 ASP QB 2.550 . 3.300 2.806 2.189 3.151 . 0 0 "[ . 1 . 2]" 1
589 1 52 GLU QB 1 56 LEU HG 3.400 . 5.000 4.199 3.692 5.251 0.251 16 0 "[ . 1 . 2]" 1
590 1 52 GLU QG 1 53 LEU H 3.400 . 5.000 3.832 2.003 4.486 . 0 0 "[ . 1 . 2]" 1
591 1 52 GLU QG 1 56 LEU QD 3.650 . 5.500 4.208 2.518 5.535 0.035 9 0 "[ . 1 . 2]" 1
592 1 53 LEU H 1 53 LEU QB 3.400 . 5.000 2.262 2.137 2.400 . 0 0 "[ . 1 . 2]" 1
593 1 53 LEU H 1 54 ILE H 3.400 . 5.000 2.645 2.608 2.705 . 0 0 "[ . 1 . 2]" 1
594 1 53 LEU QB 1 54 ILE H 3.400 . 5.000 2.555 2.327 2.731 . 0 0 "[ . 1 . 2]" 1
595 1 53 LEU QD 1 56 LEU H 3.650 . 5.500 2.893 1.888 3.195 . 0 0 "[ . 1 . 2]" 1
596 1 53 LEU QD 1 57 TYR H 3.650 . 5.500 3.597 3.228 3.798 . 0 0 "[ . 1 . 2]" 1
597 1 54 ILE H 1 54 ILE HB 3.400 . 5.000 2.229 2.126 2.492 . 0 0 "[ . 1 . 2]" 1
598 1 54 ILE H 1 54 ILE MD 3.650 . 5.500 3.651 3.324 3.767 . 0 0 "[ . 1 . 2]" 1
599 1 54 ILE H 1 54 ILE HG12 3.400 . 5.000 2.384 2.261 2.757 . 0 0 "[ . 1 . 2]" 1
600 1 54 ILE H 1 54 ILE HG13 3.400 . 5.000 3.312 2.113 3.551 . 0 0 "[ . 1 . 2]" 1
601 1 54 ILE H 1 54 ILE MG 3.650 . 5.500 2.994 2.765 3.318 . 0 0 "[ . 1 . 2]" 1
602 1 54 ILE H 1 57 TYR QB 3.400 . 5.000 3.921 2.868 4.628 . 0 0 "[ . 1 . 2]" 1
603 1 54 ILE H 1 55 ASP QB 3.400 . 5.000 2.254 2.201 2.361 . 0 0 "[ . 1 . 2]" 1
604 1 54 ILE H 1 57 TYR QB 3.400 . 5.000 4.427 3.861 5.003 0.003 9 0 "[ . 1 . 2]" 1
605 1 54 ILE HA 1 54 ILE HG13 2.550 . 3.300 3.652 3.436 3.703 0.403 9 0 "[ . 1 . 2]" 1
606 1 54 ILE HA 1 54 ILE MG 2.800 . 3.800 2.434 2.339 2.551 . 0 0 "[ . 1 . 2]" 1
607 1 54 ILE HA 1 57 TYR H 3.400 . 5.000 3.532 3.102 4.082 . 0 0 "[ . 1 . 2]" 1
608 1 54 ILE HA 1 57 TYR QB . . 3.300 2.799 2.316 3.398 0.098 3 0 "[ . 1 . 2]" 1
609 1 54 ILE HB 1 55 ASP HA 3.400 . 5.000 4.413 4.151 4.671 . 0 0 "[ . 1 . 2]" 1
610 1 54 ILE HB 1 74 ARG QD 3.900 . 6.000 4.504 2.921 6.045 0.045 10 0 "[ . 1 . 2]" 1
611 1 54 ILE MD 1 54 ILE MG 2.750 . 3.700 1.869 1.811 1.929 . 0 0 "[ . 1 . 2]" 1
612 1 54 ILE MD 1 70 PHE HA 4.150 . 6.500 5.862 4.983 6.475 . 0 0 "[ . 1 . 2]" 1
613 1 54 ILE MD 1 73 LEU QB 3.650 . 5.500 3.737 2.993 4.084 . 0 0 "[ . 1 . 2]" 1
614 1 54 ILE MD 1 73 LEU HG 2.800 . 3.800 3.495 2.532 3.953 0.153 14 0 "[ . 1 . 2]" 1
615 1 54 ILE MD 1 74 ARG H 3.650 . 5.500 5.528 5.009 5.918 0.418 9 0 "[ . 1 . 2]" 1
616 1 54 ILE HG12 1 54 ILE MG 2.800 . 3.800 3.153 2.571 3.194 . 0 0 "[ . 1 . 2]" 1
617 1 54 ILE HG12 1 77 LEU HG 3.900 . 6.000 5.954 4.986 6.276 0.276 16 0 "[ . 1 . 2]" 1
618 1 54 ILE HG13 1 73 LEU QD 4.150 . 6.500 3.381 2.513 4.154 . 0 0 "[ . 1 . 2]" 1
619 1 54 ILE HG13 1 73 LEU HG 3.900 . 6.000 4.336 3.201 6.013 0.013 14 0 "[ . 1 . 2]" 1
620 1 54 ILE HG13 1 77 LEU HG 3.900 . 6.000 4.495 3.564 4.871 . 0 0 "[ . 1 . 2]" 1
621 1 54 ILE MG 1 58 GLU QB 4.150 . 6.500 2.932 2.133 3.511 . 0 0 "[ . 1 . 2]" 1
622 1 54 ILE MG 1 70 PHE QB 2.800 . 3.800 3.437 2.742 3.860 0.060 7 0 "[ . 1 . 2]" 1
623 1 54 ILE MG 1 73 LEU H 3.650 . 5.500 5.298 4.961 5.631 0.131 4 0 "[ . 1 . 2]" 1
624 1 54 ILE MG 1 74 ARG H 3.650 . 5.500 3.565 3.172 4.460 . 0 0 "[ . 1 . 2]" 1
625 1 54 ILE MG 1 74 ARG QD 3.650 . 5.500 3.444 2.201 5.537 0.037 4 0 "[ . 1 . 2]" 1
626 1 55 ASP H 1 58 GLU H 3.400 . 5.000 2.538 2.275 2.703 . 0 0 "[ . 1 . 2]" 1
627 1 55 ASP H 1 56 LEU HA 3.400 . 5.000 5.235 5.141 5.316 0.316 12 0 "[ . 1 . 2]" 1
628 1 55 ASP HA 1 55 ASP QB 2.550 . 3.300 2.373 2.337 2.416 . 0 0 "[ . 1 . 2]" 1
629 1 55 ASP HA 1 58 GLU QB 2.550 . 3.300 2.962 2.248 3.567 0.267 3 0 "[ . 1 . 2]" 1
630 1 55 ASP HA 1 59 GLU QB 3.400 . 5.000 4.361 2.840 5.108 0.108 9 0 "[ . 1 . 2]" 1
631 1 55 ASP QB 1 56 LEU H 3.400 . 5.000 2.574 2.104 3.065 . 0 0 "[ . 1 . 2]" 1
632 1 56 LEU H 1 56 LEU QB 3.400 . 5.000 2.315 2.143 2.403 . 0 0 "[ . 1 . 2]" 1
633 1 56 LEU HA 1 56 LEU QB 2.550 . 3.300 2.425 2.371 2.508 . 0 0 "[ . 1 . 2]" 1
634 1 56 LEU QB 1 56 LEU QD 2.500 . 3.200 1.924 1.899 2.013 . 0 0 "[ . 1 . 2]" 1
635 1 56 LEU QB 1 57 TYR H 3.400 . 5.000 2.623 2.490 2.991 . 0 0 "[ . 1 . 2]" 1
636 1 57 TYR H 1 57 TYR QB 3.400 . 5.000 2.237 2.166 2.358 . 0 0 "[ . 1 . 2]" 1
637 1 57 TYR H 1 58 GLU H 3.400 . 5.000 2.571 2.300 2.759 . 0 0 "[ . 1 . 2]" 1
638 1 57 TYR H 1 58 GLU QB 3.400 . 5.000 4.449 4.144 4.701 . 0 0 "[ . 1 . 2]" 1
639 1 57 TYR H 1 58 GLU QG 3.400 . 5.000 4.341 3.797 4.651 . 0 0 "[ . 1 . 2]" 1
640 1 57 TYR H 1 59 GLU H 3.400 . 5.000 3.876 3.569 4.409 . 0 0 "[ . 1 . 2]" 1
641 1 57 TYR HA 1 57 TYR QB 2.550 . 3.300 2.447 2.340 2.501 . 0 0 "[ . 1 . 2]" 1
642 1 57 TYR HA 1 58 GLU H 3.400 . 5.000 3.448 3.316 3.520 . 0 0 "[ . 1 . 2]" 1
643 1 57 TYR HA 1 60 SER H 3.400 . 5.000 2.313 2.126 2.511 . 0 0 "[ . 1 . 2]" 1
644 1 57 TYR QB 1 58 GLU H 3.400 . 5.000 2.485 2.151 2.931 . 0 0 "[ . 1 . 2]" 1
645 1 58 GLU H 1 58 GLU QB 3.400 . 5.000 2.318 2.140 2.522 . 0 0 "[ . 1 . 2]" 1
646 1 58 GLU H 1 59 GLU H 3.400 . 5.000 2.700 2.420 2.896 . 0 0 "[ . 1 . 2]" 1
647 1 58 GLU HA 1 58 GLU QB 2.250 . 2.700 2.334 2.176 2.517 . 0 0 "[ . 1 . 2]" 1
648 1 58 GLU QB 1 67 LEU QD 4.150 . 6.500 3.070 2.013 4.494 . 0 0 "[ . 1 . 2]" 1
649 1 58 GLU QB 1 59 GLU H 3.400 . 5.000 2.145 1.797 2.297 0.003 19 0 "[ . 1 . 2]" 1
650 1 58 GLU QG 1 59 GLU H 3.400 . 5.000 2.194 1.826 2.453 . 0 0 "[ . 1 . 2]" 1
651 1 59 GLU HA 1 59 GLU QB 2.550 . 3.300 2.126 1.988 2.279 . 0 0 "[ . 1 . 2]" 1
652 1 59 GLU QB 1 60 SER H 3.400 . 5.000 2.986 2.163 3.737 . 0 0 "[ . 1 . 2]" 1
653 1 59 GLU QB 1 67 LEU QD 3.650 . 5.500 4.115 2.391 5.655 0.155 11 0 "[ . 1 . 2]" 1
654 1 60 SER H 1 60 SER QB 3.400 . 5.000 2.411 2.176 2.666 . 0 0 "[ . 1 . 2]" 1
655 1 60 SER H 1 61 GLN H 3.400 . 5.000 2.719 2.255 3.112 . 0 0 "[ . 1 . 2]" 1
656 1 60 SER HA 1 60 SER QB 2.250 . 2.700 2.282 2.174 2.409 . 0 0 "[ . 1 . 2]" 1
657 1 60 SER QB 1 61 GLN QB 3.400 . 5.000 4.171 3.150 5.094 0.094 4 0 "[ . 1 . 2]" 1
658 1 61 GLN H 1 62 PRO QD 3.400 . 5.000 1.808 1.591 2.064 0.209 18 0 "[ . 1 . 2]" 1
659 1 61 GLN HA 1 61 GLN QB 2.550 . 3.300 2.127 2.054 2.199 . 0 0 "[ . 1 . 2]" 1
660 1 61 GLN HA 1 61 GLN QG 2.550 . 3.300 2.393 2.165 3.283 . 0 0 "[ . 1 . 2]" 1
661 1 61 GLN HA 1 62 PRO QD 2.550 . 3.300 3.434 3.417 3.461 0.161 10 0 "[ . 1 . 2]" 1
662 1 61 GLN QB 1 61 GLN QG 2.250 . 2.700 2.065 2.002 2.108 . 0 0 "[ . 1 . 2]" 1
663 1 61 GLN QB 1 62 PRO QD 2.550 . 3.300 2.088 2.013 2.168 . 0 0 "[ . 1 . 2]" 1
664 1 61 GLN QB 1 62 PRO QD 3.900 . 6.000 2.129 2.044 2.222 . 0 0 "[ . 1 . 2]" 1
665 1 62 PRO HA 1 62 PRO QB 2.250 . 2.700 2.205 2.199 2.216 . 0 0 "[ . 1 . 2]" 1
666 1 62 PRO HA 1 62 PRO QD 3.900 . 5.000 3.542 3.511 3.556 . 0 0 "[ . 1 . 2]" 1
667 1 62 PRO HA 1 63 SER H 3.400 . 5.000 2.371 2.245 2.599 . 0 0 "[ . 1 . 2]" 1
668 1 62 PRO HA 1 67 LEU QD 3.650 . 5.500 5.281 4.412 5.669 0.169 1 0 "[ . 1 . 2]" 1
669 1 62 PRO QB 1 63 SER H 3.400 . 5.000 3.885 3.791 3.997 . 0 0 "[ . 1 . 2]" 1
670 1 62 PRO QB 1 64 SER H 3.400 . 5.000 3.591 3.238 3.926 . 0 0 "[ . 1 . 2]" 1
671 1 62 PRO QB 1 66 ARG H 3.400 . 5.000 2.809 1.868 5.106 0.106 11 0 "[ . 1 . 2]" 1
672 1 62 PRO QD 1 63 SER H 3.400 . 5.000 4.100 3.746 4.307 . 0 0 "[ . 1 . 2]" 1
673 1 62 PRO QG 1 63 SER HA 3.900 . 6.000 5.093 4.954 5.249 . 0 0 "[ . 1 . 2]" 1
674 1 63 SER H 1 64 SER H 3.400 . 5.000 2.424 2.265 2.653 . 0 0 "[ . 1 . 2]" 1
675 1 63 SER H 1 67 LEU QD 3.650 . 5.500 5.291 4.696 5.727 0.227 10 0 "[ . 1 . 2]" 1
676 1 63 SER HA 1 64 SER H 3.400 . 5.000 3.413 3.291 3.560 . 0 0 "[ . 1 . 2]" 1
677 1 64 SER H 1 64 SER QB 3.400 . 5.000 2.609 2.288 2.968 . 0 0 "[ . 1 . 2]" 1
678 1 64 SER H 1 67 LEU QD 3.650 . 5.500 4.833 4.190 5.571 0.071 11 0 "[ . 1 . 2]" 1
679 1 64 SER QB 1 67 LEU QD 4.150 . 6.500 5.435 3.951 6.478 . 0 0 "[ . 1 . 2]" 1
680 1 65 GLU HA 1 65 GLU QB 2.550 . 2.700 2.414 2.374 2.477 . 0 0 "[ . 1 . 2]" 1
681 1 65 GLU HA 1 65 GLU QG 2.250 . 2.700 2.373 2.233 2.758 0.058 6 0 "[ . 1 . 2]" 1
682 1 65 GLU HA 1 66 ARG H 3.400 . 5.000 3.127 2.437 3.493 . 0 0 "[ . 1 . 2]" 1
683 1 65 GLU QB 1 65 GLU QG 2.250 . 2.700 2.089 2.034 2.110 . 0 0 "[ . 1 . 2]" 1
684 1 65 GLU QB 1 66 ARG H 3.400 . 5.000 3.047 1.708 3.852 0.092 19 0 "[ . 1 . 2]" 1
685 1 65 GLU QB 1 66 ARG HA 3.400 . 5.000 4.039 3.724 4.420 . 0 0 "[ . 1 . 2]" 1
686 1 65 GLU QB 1 66 ARG QB 3.400 . 5.000 4.546 3.346 5.288 0.288 9 0 "[ . 1 . 2]" 1
687 1 65 GLU QB 1 67 LEU QD 3.650 . 5.500 4.030 2.182 5.464 . 0 0 "[ . 1 . 2]" 1
688 1 65 GLU QG 1 66 ARG H 3.400 . 5.000 3.338 1.752 4.062 0.048 11 0 "[ . 1 . 2]" 1
689 1 66 ARG H 1 66 ARG QB 3.400 . 5.000 2.348 2.118 2.596 . 0 0 "[ . 1 . 2]" 1
690 1 66 ARG H 1 66 ARG QB 3.650 . 5.500 2.321 2.117 2.520 . 0 0 "[ . 1 . 2]" 1
691 1 66 ARG H 1 66 ARG QG 3.400 . 5.000 2.762 1.903 4.088 . 0 0 "[ . 1 . 2]" 1
692 1 66 ARG H 1 67 LEU H 3.400 . 5.000 2.505 2.369 2.672 . 0 0 "[ . 1 . 2]" 1
693 1 66 ARG H 1 67 LEU HA 3.400 . 5.000 4.954 4.816 5.113 0.113 12 0 "[ . 1 . 2]" 1
694 1 66 ARG HA 1 66 ARG QG 2.550 . 3.300 2.162 2.043 2.414 . 0 0 "[ . 1 . 2]" 1
695 1 66 ARG HA 1 67 LEU H 3.400 . 5.000 3.402 3.376 3.434 . 0 0 "[ . 1 . 2]" 1
696 1 66 ARG HA 1 69 ALA H 3.400 . 5.000 3.672 2.909 4.300 . 0 0 "[ . 1 . 2]" 1
697 1 66 ARG QB 1 67 LEU H 3.650 . 5.500 2.441 1.809 3.018 . 0 0 "[ . 1 . 2]" 1
698 1 67 LEU H 1 67 LEU QB 3.400 . 5.000 2.447 2.168 2.818 . 0 0 "[ . 1 . 2]" 1
699 1 67 LEU H 1 67 LEU QD 3.650 . 5.500 2.445 1.659 3.571 0.141 10 0 "[ . 1 . 2]" 1
700 1 67 LEU H 1 68 ASN H 3.400 . 5.000 2.836 2.696 2.924 . 0 0 "[ . 1 . 2]" 1
701 1 67 LEU HA 1 67 LEU QB 2.550 . 2.700 2.255 2.173 2.516 . 0 0 "[ . 1 . 2]" 1
702 1 67 LEU HA 1 67 LEU QD 2.800 . 3.800 3.037 2.069 3.453 . 0 0 "[ . 1 . 2]" 1
703 1 67 LEU HA 1 67 LEU HG 3.400 . 5.000 3.273 2.257 3.575 . 0 0 "[ . 1 . 2]" 1
704 1 67 LEU HA 1 70 PHE QB 2.550 . 3.300 2.573 2.189 3.384 0.084 14 0 "[ . 1 . 2]" 1
705 1 67 LEU QB 1 67 LEU HG 2.250 . 2.700 2.512 2.354 2.580 . 0 0 "[ . 1 . 2]" 1
706 1 67 LEU QB 1 68 ASN H 3.400 . 5.000 3.337 2.524 3.674 . 0 0 "[ . 1 . 2]" 1
707 1 67 LEU QD 1 70 PHE HA 4.150 . 6.500 6.030 4.752 6.724 0.224 15 0 "[ . 1 . 2]" 1
708 1 68 ASN H 1 68 ASN QB 3.400 . 5.000 2.347 2.248 2.658 . 0 0 "[ . 1 . 2]" 1
709 1 68 ASN H 1 69 ALA H 3.400 . 5.000 2.720 2.438 2.836 . 0 0 "[ . 1 . 2]" 1
710 1 68 ASN HA 1 68 ASN QB 2.550 . 3.300 2.335 2.184 2.439 . 0 0 "[ . 1 . 2]" 1
711 1 68 ASN HA 1 71 ARG H 3.400 . 5.000 3.139 2.878 3.359 . 0 0 "[ . 1 . 2]" 1
712 1 68 ASN QB 1 69 ALA H 3.400 . 5.000 2.860 2.424 3.656 . 0 0 "[ . 1 . 2]" 1
713 1 69 ALA H 1 70 PHE H 3.400 . 5.000 2.501 2.269 2.641 . 0 0 "[ . 1 . 2]" 1
714 1 69 ALA H 1 70 PHE QB 3.400 . 5.000 4.368 3.941 4.560 . 0 0 "[ . 1 . 2]" 1
715 1 69 ALA HA 1 72 GLU H 3.400 . 5.000 3.874 3.209 4.329 . 0 0 "[ . 1 . 2]" 1
716 1 69 ALA HA 1 72 GLU QB 3.400 . 5.000 4.298 2.648 5.350 0.350 11 0 "[ . 1 . 2]" 1
717 1 69 ALA HA 1 72 GLU QG 3.900 . 5.000 3.415 2.737 4.504 . 0 0 "[ . 1 . 2]" 1
718 1 69 ALA MB 1 70 PHE H 3.650 . 5.500 2.595 2.257 2.949 . 0 0 "[ . 1 . 2]" 1
719 1 69 ALA MB 1 70 PHE HA 3.650 . 5.500 3.586 3.294 3.700 . 0 0 "[ . 1 . 2]" 1
720 1 69 ALA MB 1 71 ARG QB 3.650 . 5.500 5.160 4.757 5.556 0.056 16 0 "[ . 1 . 2]" 1
721 1 70 PHE H 1 70 PHE QB 3.400 . 5.000 2.255 2.058 2.380 . 0 0 "[ . 1 . 2]" 1
722 1 70 PHE H 1 71 ARG H 3.400 . 5.000 2.565 2.302 2.823 . 0 0 "[ . 1 . 2]" 1
723 1 70 PHE H 1 72 GLU H 3.400 . 5.000 4.286 4.073 4.574 . 0 0 "[ . 1 . 2]" 1
724 1 70 PHE HA 1 70 PHE QB 2.550 . 3.300 2.346 2.186 2.461 . 0 0 "[ . 1 . 2]" 1
725 1 70 PHE HA 1 73 LEU H 3.400 . 5.000 3.276 3.099 3.499 . 0 0 "[ . 1 . 2]" 1
726 1 70 PHE HA 1 73 LEU QB 2.550 . 3.300 3.231 2.621 3.544 0.244 2 0 "[ . 1 . 2]" 1
727 1 70 PHE HA 1 74 ARG H 3.400 . 5.000 4.614 4.009 5.085 0.085 15 0 "[ . 1 . 2]" 1
728 1 70 PHE QB 1 71 ARG H 3.400 . 5.000 2.974 2.564 3.455 . 0 0 "[ . 1 . 2]" 1
729 1 70 PHE QB 1 72 GLU H 3.400 . 5.000 4.244 3.939 4.437 . 0 0 "[ . 1 . 2]" 1
730 1 70 PHE QB 1 74 ARG H 3.400 . 5.000 3.890 3.440 4.300 . 0 0 "[ . 1 . 2]" 1
731 1 71 ARG H 1 71 ARG QB 3.400 . 5.000 2.316 2.249 2.484 . 0 0 "[ . 1 . 2]" 1
732 1 71 ARG H 1 72 GLU H 3.400 . 5.000 2.712 2.606 2.784 . 0 0 "[ . 1 . 2]" 1
733 1 71 ARG HA 1 71 ARG QB . . 2.700 2.371 2.189 2.480 . 0 0 "[ . 1 . 2]" 1
734 1 71 ARG HA 1 71 ARG QB 2.550 . 3.300 2.107 1.976 2.298 . 0 0 "[ . 1 . 2]" 1
735 1 71 ARG HA 1 71 ARG QD 3.400 . 5.000 2.966 2.194 3.850 . 0 0 "[ . 1 . 2]" 1
736 1 71 ARG HA 1 74 ARG H 3.400 . 5.000 3.200 2.864 3.483 . 0 0 "[ . 1 . 2]" 1
737 1 71 ARG QB 1 71 ARG QD 2.250 . 2.700 2.246 2.122 2.596 . 0 0 "[ . 1 . 2]" 1
738 1 71 ARG QB 1 71 ARG QD 2.550 . 3.300 1.988 1.894 2.062 . 0 0 "[ . 1 . 2]" 1
739 1 71 ARG QB 1 73 LEU H 3.400 . 5.000 3.872 3.800 4.027 . 0 0 "[ . 1 . 2]" 1
740 1 71 ARG QB 1 74 ARG QG 3.400 . 5.000 5.123 4.428 5.371 0.371 5 0 "[ . 1 . 2]" 1
741 1 72 GLU H 1 72 GLU QG 3.400 . 5.000 2.302 2.007 3.845 . 0 0 "[ . 1 . 2]" 1
742 1 72 GLU H 1 72 GLU QG 3.400 . 5.000 2.285 2.005 3.642 . 0 0 "[ . 1 . 2]" 1
743 1 72 GLU H 1 73 LEU H 3.400 . 5.000 2.689 2.538 2.877 . 0 0 "[ . 1 . 2]" 1
744 1 72 GLU H 1 73 LEU H 3.400 . 5.000 2.672 2.529 2.850 . 0 0 "[ . 1 . 2]" 1
745 1 72 GLU H 1 74 ARG H 3.400 . 5.000 4.042 3.859 4.244 . 0 0 "[ . 1 . 2]" 1
746 1 72 GLU HA 1 72 GLU QB 2.250 . 2.700 2.401 2.385 2.489 . 0 0 "[ . 1 . 2]" 1
747 1 72 GLU HA 1 72 GLU QG 2.250 . 2.700 2.438 2.297 2.757 0.057 1 0 "[ . 1 . 2]" 1
748 1 72 GLU HA 1 73 LEU H 3.400 . 5.000 3.546 3.505 3.567 . 0 0 "[ . 1 . 2]" 1
749 1 72 GLU HA 1 75 THR HB 2.550 . 3.300 3.046 2.691 3.318 0.018 2 0 "[ . 1 . 2]" 1
750 1 72 GLU HA 1 75 THR MG 3.650 . 5.500 4.070 3.537 4.520 . 0 0 "[ . 1 . 2]" 1
751 1 72 GLU QB 1 72 GLU QG 2.250 . 2.700 2.081 2.020 2.108 . 0 0 "[ . 1 . 2]" 1
752 1 72 GLU QB 1 74 ARG H 3.400 . 5.000 2.289 2.180 2.375 . 0 0 "[ . 1 . 2]" 1
753 1 72 GLU QB 1 75 THR H 3.400 . 5.000 2.648 2.439 2.902 . 0 0 "[ . 1 . 2]" 1
754 1 72 GLU QB 1 75 THR HB 3.900 . 6.000 4.460 4.092 5.270 . 0 0 "[ . 1 . 2]" 1
755 1 72 GLU QG 1 73 LEU H 3.400 . 5.000 2.216 2.127 2.263 . 0 0 "[ . 1 . 2]" 1
756 1 72 GLU QG 1 73 LEU HA 3.900 . 6.000 4.878 4.569 4.986 . 0 0 "[ . 1 . 2]" 1
757 1 72 GLU QG 1 75 THR HB 3.900 . 6.000 4.100 3.832 4.297 . 0 0 "[ . 1 . 2]" 1
758 1 73 LEU H 1 74 ARG H 3.400 . 5.000 2.613 2.531 2.678 . 0 0 "[ . 1 . 2]" 1
759 1 73 LEU H 1 74 ARG H 3.400 . 5.000 2.331 2.266 2.397 . 0 0 "[ . 1 . 2]" 1
760 1 73 LEU H 1 76 GLN H 3.400 . 5.000 2.697 2.606 2.873 . 0 0 "[ . 1 . 2]" 1
761 1 73 LEU HA 1 73 LEU QB 2.550 . 3.300 2.393 2.330 2.508 . 0 0 "[ . 1 . 2]" 1
762 1 73 LEU HA 1 73 LEU QD 2.800 . 3.800 2.070 1.969 2.281 . 0 0 "[ . 1 . 2]" 1
763 1 73 LEU HA 1 73 LEU HG 3.400 . 5.000 3.236 2.393 3.627 . 0 0 "[ . 1 . 2]" 1
764 1 73 LEU HA 1 76 GLN H 3.400 . 5.000 3.436 3.199 3.580 . 0 0 "[ . 1 . 2]" 1
765 1 73 LEU HA 1 76 GLN QB . . 3.300 3.023 2.484 3.397 0.097 2 0 "[ . 1 . 2]" 1
766 1 73 LEU HA 1 76 GLN QG 3.400 . 5.000 3.772 2.784 5.039 0.039 16 0 "[ . 1 . 2]" 1
767 1 73 LEU QB 1 74 ARG HA 3.400 . 5.000 2.721 2.316 3.220 . 0 0 "[ . 1 . 2]" 1
768 1 73 LEU QB 1 75 THR HB 3.900 . 6.000 4.172 3.166 5.885 . 0 0 "[ . 1 . 2]" 1
769 1 73 LEU QB 1 76 GLN H 3.400 . 5.000 2.871 2.015 3.742 . 0 0 "[ . 1 . 2]" 1
770 1 73 LEU QD 1 76 GLN H 3.650 . 5.500 3.935 3.698 4.310 . 0 0 "[ . 1 . 2]" 1
771 1 73 LEU QD 1 77 LEU HG 3.650 . 5.500 3.538 2.244 4.947 . 0 0 "[ . 1 . 2]" 1
772 1 74 ARG H 1 74 ARG QB 3.400 . 5.000 2.158 2.037 2.243 . 0 0 "[ . 1 . 2]" 1
773 1 74 ARG H 1 74 ARG QG 3.650 . 5.500 3.075 2.225 3.792 . 0 0 "[ . 1 . 2]" 1
774 1 74 ARG H 1 75 THR H 3.400 . 5.000 2.624 2.514 2.809 . 0 0 "[ . 1 . 2]" 1
775 1 74 ARG H 1 75 THR MG 3.650 . 5.500 5.769 4.508 5.917 0.417 9 0 "[ . 1 . 2]" 1
776 1 74 ARG H 1 77 LEU H 3.400 . 5.000 4.958 4.745 5.037 0.037 2 0 "[ . 1 . 2]" 1
777 1 74 ARG HA 1 74 ARG QG 2.250 . 2.700 2.376 2.248 2.712 0.012 9 0 "[ . 1 . 2]" 1
778 1 74 ARG HA 1 75 THR H 3.400 . 5.000 3.508 3.442 3.556 . 0 0 "[ . 1 . 2]" 1
779 1 74 ARG HA 1 77 LEU H 3.400 . 5.000 3.431 3.122 3.629 . 0 0 "[ . 1 . 2]" 1
780 1 74 ARG QB 1 75 THR H 3.400 . 5.000 2.595 2.397 2.807 . 0 0 "[ . 1 . 2]" 1
781 1 74 ARG QB 1 76 GLN H 3.400 . 5.000 2.306 2.135 2.457 . 0 0 "[ . 1 . 2]" 1
782 1 75 THR H 1 75 THR HB 3.400 . 5.000 2.322 2.013 2.567 . 0 0 "[ . 1 . 2]" 1
783 1 75 THR H 1 75 THR MG 3.650 . 5.500 3.675 2.819 3.737 . 0 0 "[ . 1 . 2]" 1
784 1 75 THR H 1 76 GLN H 3.400 . 5.000 2.709 2.617 2.885 . 0 0 "[ . 1 . 2]" 1
785 1 75 THR H 1 77 LEU H 3.400 . 5.000 4.288 4.118 4.449 . 0 0 "[ . 1 . 2]" 1
786 1 75 THR HA 1 75 THR HB 2.250 . 2.700 2.963 2.642 2.987 0.287 17 0 "[ . 1 . 2]" 1
787 1 75 THR HA 1 75 THR MG 2.500 . 3.200 2.343 2.214 3.179 . 0 0 "[ . 1 . 2]" 1
788 1 75 THR HA 1 76 GLN H 3.400 . 5.000 3.540 3.522 3.551 . 0 0 "[ . 1 . 2]" 1
789 1 75 THR HA 1 78 GLU QB 2.550 . 3.300 2.431 2.282 2.717 . 0 0 "[ . 1 . 2]" 1
790 1 75 THR HA 1 78 GLU QG 3.400 . 5.000 4.283 3.728 4.579 . 0 0 "[ . 1 . 2]" 1
791 1 75 THR HB 1 76 GLN H 3.400 . 5.000 2.557 2.423 3.543 . 0 0 "[ . 1 . 2]" 1
792 1 75 THR HB 1 76 GLN QB 3.400 . 5.000 4.448 3.932 5.165 0.165 16 0 "[ . 1 . 2]" 1
793 1 75 THR MG 1 76 GLN H 3.650 . 5.500 3.389 1.834 3.692 . 0 0 "[ . 1 . 2]" 1
794 1 75 THR MG 1 79 LYS QE 3.650 . 5.500 2.954 1.995 4.601 . 0 0 "[ . 1 . 2]" 1
795 1 75 THR MG 1 80 ALA H 3.650 . 5.500 5.553 5.415 5.643 0.143 18 0 "[ . 1 . 2]" 1
796 1 76 GLN H 1 76 GLN QG 3.400 . 5.000 2.922 2.018 3.862 . 0 0 "[ . 1 . 2]" 1
797 1 76 GLN H 1 77 LEU H 3.400 . 5.000 2.758 2.653 2.830 . 0 0 "[ . 1 . 2]" 1
798 1 76 GLN H 1 77 LEU H 3.400 . 5.000 2.735 2.633 2.804 . 0 0 "[ . 1 . 2]" 1
799 1 76 GLN HA 1 76 GLN QB . . 2.700 2.417 2.367 2.493 . 0 0 "[ . 1 . 2]" 1
800 1 76 GLN HA 1 76 GLN QG 2.550 . 3.300 2.536 2.316 2.871 . 0 0 "[ . 1 . 2]" 1
801 1 76 GLN QB 1 77 LEU H 3.400 . 5.000 2.403 2.250 2.638 . 0 0 "[ . 1 . 2]" 1
802 1 76 GLN QG 1 77 LEU H 3.400 . 5.000 2.310 2.173 2.578 . 0 0 "[ . 1 . 2]" 1
803 1 77 LEU H 1 77 LEU QB 3.400 . 5.000 2.329 2.182 2.597 . 0 0 "[ . 1 . 2]" 1
804 1 77 LEU H 1 77 LEU HG 3.400 . 5.000 3.167 1.850 3.898 . 0 0 "[ . 1 . 2]" 1
805 1 77 LEU HA 1 77 LEU QB 2.550 . 3.300 2.428 2.310 2.498 . 0 0 "[ . 1 . 2]" 1
806 1 77 LEU HA 1 77 LEU QD 2.500 . 3.200 2.075 1.921 2.263 . 0 0 "[ . 1 . 2]" 1
807 1 77 LEU HA 1 80 ALA H 3.400 . 5.000 3.496 3.363 3.727 . 0 0 "[ . 1 . 2]" 1
808 1 77 LEU HA 1 80 ALA MB 2.500 . 3.200 2.596 2.294 2.851 . 0 0 "[ . 1 . 2]" 1
809 1 77 LEU HA 1 81 LEU H 3.400 . 5.000 4.076 3.606 4.489 . 0 0 "[ . 1 . 2]" 1
810 1 77 LEU QB 1 77 LEU QD 2.500 . 3.200 1.974 1.909 2.071 . 0 0 "[ . 1 . 2]" 1
811 1 77 LEU QB 1 77 LEU HG 2.550 . 3.300 2.280 2.178 2.403 . 0 0 "[ . 1 . 2]" 1
812 1 77 LEU QB 1 81 LEU H 3.400 . 5.000 4.817 4.376 5.099 0.099 5 0 "[ . 1 . 2]" 1
813 1 77 LEU QB 1 81 LEU QD 4.150 . 6.500 4.447 3.800 5.174 . 0 0 "[ . 1 . 2]" 1
814 1 77 LEU QD 1 80 ALA H 3.650 . 5.500 4.558 4.268 4.918 . 0 0 "[ . 1 . 2]" 1
815 1 78 GLU H 1 78 GLU QB 3.400 . 5.000 2.248 2.231 2.289 . 0 0 "[ . 1 . 2]" 1
816 1 78 GLU H 1 78 GLU QG 3.400 . 5.000 3.887 2.401 4.044 . 0 0 "[ . 1 . 2]" 1
817 1 78 GLU HA 1 78 GLU QB 2.550 . 3.300 2.390 2.371 2.440 . 0 0 "[ . 1 . 2]" 1
818 1 78 GLU HA 1 78 GLU QG 2.550 . 3.300 2.371 2.283 2.804 . 0 0 "[ . 1 . 2]" 1
819 1 78 GLU HA 1 80 ALA MB 3.650 . 5.500 2.568 2.255 2.993 . 0 0 "[ . 1 . 2]" 1
820 1 78 GLU HA 1 81 LEU H 3.400 . 5.000 3.491 3.253 3.644 . 0 0 "[ . 1 . 2]" 1
821 1 78 GLU HA 1 81 LEU QB 2.550 . 3.300 2.577 2.258 3.018 . 0 0 "[ . 1 . 2]" 1
822 1 78 GLU HA 1 81 LEU QD 2.800 . 3.800 3.614 2.806 3.860 0.060 14 0 "[ . 1 . 2]" 1
823 1 78 GLU QG 1 81 LEU QD 4.150 . 6.500 4.203 3.476 4.733 . 0 0 "[ . 1 . 2]" 1
824 1 79 LYS H 1 79 LYS QD 3.400 . 5.000 4.256 3.670 4.670 . 0 0 "[ . 1 . 2]" 1
825 1 79 LYS H 1 79 LYS QE 3.400 . 5.000 4.574 3.467 5.126 0.126 19 0 "[ . 1 . 2]" 1
826 1 79 LYS H 1 80 ALA HA 3.400 . 5.000 5.209 5.183 5.268 0.268 14 0 "[ . 1 . 2]" 1
827 1 79 LYS HA 1 79 LYS QB 2.250 . 2.700 2.399 2.370 2.443 . 0 0 "[ . 1 . 2]" 1
828 1 79 LYS HA 1 79 LYS QG 2.550 . 3.300 2.364 2.268 2.637 . 0 0 "[ . 1 . 2]" 1
829 1 79 LYS HA 1 80 ALA H 3.400 . 5.000 3.537 3.523 3.550 . 0 0 "[ . 1 . 2]" 1
830 1 79 LYS HA 1 81 LEU H 3.400 . 5.000 3.824 3.615 4.036 . 0 0 "[ . 1 . 2]" 1
831 1 79 LYS HA 1 83 LEU H 3.400 . 5.000 2.845 2.698 2.909 . 0 0 "[ . 1 . 2]" 1
832 1 79 LYS QB 1 79 LYS QD 2.250 . 2.700 1.918 1.886 1.958 . 0 0 "[ . 1 . 2]" 1
833 1 79 LYS QB 1 79 LYS QG 2.250 . 2.700 2.096 2.033 2.112 . 0 0 "[ . 1 . 2]" 1
834 1 79 LYS QB 1 80 ALA H 3.400 . 5.000 2.494 2.403 2.600 . 0 0 "[ . 1 . 2]" 1
835 1 79 LYS QB 1 84 GLU H 3.400 . 5.000 2.399 2.257 2.757 . 0 0 "[ . 1 . 2]" 1
836 1 80 ALA H 1 81 LEU H 3.400 . 5.000 2.567 2.491 2.688 . 0 0 "[ . 1 . 2]" 1
837 1 80 ALA H 1 82 GLY H 3.400 . 5.000 2.599 2.249 2.784 . 0 0 "[ . 1 . 2]" 1
838 1 80 ALA MB 1 81 LEU H 3.650 . 5.500 2.089 2.021 2.153 . 0 0 "[ . 1 . 2]" 1
839 1 80 ALA MB 1 82 GLY H 3.650 . 5.500 2.597 2.360 3.098 . 0 0 "[ . 1 . 2]" 1
840 1 81 LEU H 1 81 LEU QB 3.400 . 5.000 2.192 2.104 2.266 . 0 0 "[ . 1 . 2]" 1
841 1 81 LEU H 1 81 LEU QD 3.650 . 5.500 3.553 3.280 3.767 . 0 0 "[ . 1 . 2]" 1
842 1 81 LEU H 1 81 LEU QD 3.650 . 5.500 3.472 3.235 3.665 . 0 0 "[ . 1 . 2]" 1
843 1 81 LEU HA 1 81 LEU QB 2.250 . 2.700 2.432 2.328 2.534 . 0 0 "[ . 1 . 2]" 1
844 1 81 LEU HA 1 81 LEU QD 2.800 . 3.200 2.126 1.945 3.024 . 0 0 "[ . 1 . 2]" 1
845 1 81 LEU HA 1 82 GLY H 3.400 . 5.000 3.518 3.360 3.554 . 0 0 "[ . 1 . 2]" 1
846 1 81 LEU QB 1 81 LEU HG 2.250 . 2.700 2.296 2.192 2.567 . 0 0 "[ . 1 . 2]" 1
847 1 81 LEU QB 1 82 GLY H 3.400 . 5.000 2.638 2.372 3.210 . 0 0 "[ . 1 . 2]" 1
848 1 81 LEU QB 1 83 LEU H 3.400 . 5.000 4.037 3.828 4.247 . 0 0 "[ . 1 . 2]" 1
849 1 81 LEU QD 1 82 GLY H 3.650 . 5.500 3.502 2.607 3.841 . 0 0 "[ . 1 . 2]" 1
850 1 81 LEU QD 1 82 GLY QA 2.800 . 3.800 3.423 2.366 4.044 0.244 2 0 "[ . 1 . 2]" 1
851 1 81 LEU QD 1 83 LEU H 3.650 . 5.500 2.877 2.533 3.541 . 0 0 "[ . 1 . 2]" 1
852 1 82 GLY H 1 83 LEU H 3.400 . 5.000 2.624 2.257 2.815 . 0 0 "[ . 1 . 2]" 1
853 1 82 GLY H 1 83 LEU HG 3.400 . 5.000 4.535 4.119 4.857 . 0 0 "[ . 1 . 2]" 1
854 1 82 GLY QA 1 83 LEU H 3.400 . 5.000 2.865 2.786 2.916 . 0 0 "[ . 1 . 2]" 1
855 1 83 LEU H 1 83 LEU QB 3.400 . 5.000 3.303 3.057 3.378 . 0 0 "[ . 1 . 2]" 1
856 1 83 LEU H 1 84 GLU H 3.400 . 5.000 2.757 2.683 2.816 . 0 0 "[ . 1 . 2]" 1
857 1 83 LEU HA 1 83 LEU QB 2.250 . 2.700 2.262 2.160 2.283 . 0 0 "[ . 1 . 2]" 1
858 1 83 LEU HA 1 83 LEU QD 2.500 . 3.200 2.154 2.094 2.262 . 0 0 "[ . 1 . 2]" 1
859 1 83 LEU HA 1 84 GLU H 3.400 . 5.000 2.967 2.736 3.227 . 0 0 "[ . 1 . 2]" 1
860 1 83 LEU QB 1 83 LEU QD 2.500 . 3.200 1.923 1.902 1.937 . 0 0 "[ . 1 . 2]" 1
861 1 83 LEU QB 1 84 GLU H 3.400 . 5.000 3.581 3.350 3.748 . 0 0 "[ . 1 . 2]" 1
862 1 83 LEU QB 1 84 GLU QB 3.900 . 6.000 5.010 4.431 5.398 . 0 0 "[ . 1 . 2]" 1
863 1 83 LEU QD 1 84 GLU H 3.650 . 5.500 4.323 4.155 4.488 . 0 0 "[ . 1 . 2]" 1
864 1 84 GLU H 1 84 GLU QG 3.400 . 5.000 2.832 1.780 4.056 0.020 3 0 "[ . 1 . 2]" 1
865 1 84 GLU HA 1 84 GLU QB 2.550 . 3.300 2.346 2.187 2.409 . 0 0 "[ . 1 . 2]" 1
866 1 84 GLU HA 1 84 GLU QG 2.550 . 3.300 2.758 2.325 3.308 0.008 6 0 "[ . 1 . 2]" 1
867 1 84 GLU QG 1 85 HIS H 3.400 . 5.000 3.712 2.332 4.626 . 0 0 "[ . 1 . 2]" 1
868 1 86 HIS HA 1 86 HIS QB 2.550 . 3.300 2.330 2.188 2.494 . 0 0 "[ . 1 . 2]" 1
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