NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404102 |
1wxl   |
6469 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wxl
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 1154
_Distance_constraint_stats_list.Viol_count 1334
_Distance_constraint_stats_list.Viol_total 3962.209
_Distance_constraint_stats_list.Viol_max 0.432
_Distance_constraint_stats_list.Viol_rms 0.0242
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0990
_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 4 PRO 0.088 0.053 9 0 "[ . 1 . 2 . 3]"
1 5 LYS 1.997 0.385 13 0 "[ . 1 . 2 . 3]"
1 6 ARG 2.987 0.388 7 0 "[ . 1 . 2 . 3]"
1 7 ALA 1.077 0.388 7 0 "[ . 1 . 2 . 3]"
1 8 THR 0.004 0.004 26 0 "[ . 1 . 2 . 3]"
1 9 THR 10.134 0.234 26 0 "[ . 1 . 2 . 3]"
1 10 ALA 0.143 0.023 19 0 "[ . 1 . 2 . 3]"
1 11 PHE 5.920 0.234 26 0 "[ . 1 . 2 . 3]"
1 12 MET 5.335 0.197 26 0 "[ . 1 . 2 . 3]"
1 13 LEU 4.611 0.197 26 0 "[ . 1 . 2 . 3]"
1 14 TRP 15.130 0.289 20 0 "[ . 1 . 2 . 3]"
1 15 LEU 6.983 0.279 27 0 "[ . 1 . 2 . 3]"
1 16 ASN 3.129 0.136 14 0 "[ . 1 . 2 . 3]"
1 17 ASP 3.612 0.136 14 0 "[ . 1 . 2 . 3]"
1 18 THR 8.533 0.234 28 0 "[ . 1 . 2 . 3]"
1 19 ARG 3.572 0.158 22 0 "[ . 1 . 2 . 3]"
1 20 GLU 17.828 0.279 27 0 "[ . 1 . 2 . 3]"
1 21 SER 11.444 0.158 22 0 "[ . 1 . 2 . 3]"
1 22 ILE 2.316 0.149 19 0 "[ . 1 . 2 . 3]"
1 23 LYS 1.326 0.123 19 0 "[ . 1 . 2 . 3]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 GLU 4.020 0.163 22 0 "[ . 1 . 2 . 3]"
1 26 ASN 5.688 0.163 22 0 "[ . 1 . 2 . 3]"
1 27 PRO 0.292 0.143 27 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.264 0.143 27 0 "[ . 1 . 2 . 3]"
1 29 ILE 6.135 0.169 11 0 "[ . 1 . 2 . 3]"
1 30 LYS 4.440 0.169 11 0 "[ . 1 . 2 . 3]"
1 31 VAL 6.162 0.177 29 0 "[ . 1 . 2 . 3]"
1 32 THR 4.056 0.177 29 0 "[ . 1 . 2 . 3]"
1 33 GLU 0.078 0.025 2 0 "[ . 1 . 2 . 3]"
1 34 ILE 5.244 0.209 7 0 "[ . 1 . 2 . 3]"
1 35 ALA 5.612 0.209 7 0 "[ . 1 . 2 . 3]"
1 36 LYS 1.695 0.106 14 0 "[ . 1 . 2 . 3]"
1 37 LYS 2.103 0.106 14 0 "[ . 1 . 2 . 3]"
1 38 GLY 3.880 0.180 27 0 "[ . 1 . 2 . 3]"
1 39 GLY 6.365 0.289 20 0 "[ . 1 . 2 . 3]"
1 40 GLU 1.168 0.082 13 0 "[ . 1 . 2 . 3]"
1 41 MET 1.299 0.108 27 0 "[ . 1 . 2 . 3]"
1 42 TRP 8.944 0.225 18 0 "[ . 1 . 2 . 3]"
1 43 LYS 1.168 0.082 13 0 "[ . 1 . 2 . 3]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 LEU 0.612 0.122 20 0 "[ . 1 . 2 . 3]"
1 46 LYS 4.336 0.243 30 0 "[ . 1 . 2 . 3]"
1 47 ASP 0.545 0.223 15 0 "[ . 1 . 2 . 3]"
1 48 LYS 0.935 0.176 21 0 "[ . 1 . 2 . 3]"
1 49 SER 1.709 0.223 15 0 "[ . 1 . 2 . 3]"
1 50 LYS 4.305 0.243 30 0 "[ . 1 . 2 . 3]"
1 51 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 GLU 0.351 0.051 22 0 "[ . 1 . 2 . 3]"
1 53 ASP 4.169 0.226 24 0 "[ . 1 . 2 . 3]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 ALA 7.486 0.226 24 0 "[ . 1 . 2 . 3]"
1 56 ALA 0.090 0.041 14 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.010 0.010 26 0 "[ . 1 . 2 . 3]"
1 58 ASP 4.486 0.143 23 0 "[ . 1 . 2 . 3]"
1 59 LYS 2.380 0.141 15 0 "[ . 1 . 2 . 3]"
1 60 GLN 1.897 0.101 21 0 "[ . 1 . 2 . 3]"
1 61 ARG 5.554 0.143 23 0 "[ . 1 . 2 . 3]"
1 62 TYR 5.384 0.208 17 0 "[ . 1 . 2 . 3]"
1 63 HIS 8.631 0.208 17 0 "[ . 1 . 2 . 3]"
1 64 ASP 5.686 0.296 6 0 "[ . 1 . 2 . 3]"
1 65 GLU 11.745 0.432 29 0 "[ . 1 . 2 . 3]"
1 66 MET 0.396 0.087 23 0 "[ . 1 . 2 . 3]"
1 67 ARG 1.216 0.126 18 0 "[ . 1 . 2 . 3]"
1 68 ASN 8.119 0.432 29 0 "[ . 1 . 2 . 3]"
1 69 TYR 1.867 0.410 8 0 "[ . 1 . 2 . 3]"
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 4 PRO HA 1 5 LYS QB 5.000 . 6.000 4.542 3.942 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 4 PRO HA 1 5 LYS H 3.000 . 3.000 2.448 2.100 3.053 0.053 9 0 "[ . 1 . 2 . 3]" 1
3 1 4 PRO QB 1 5 LYS H 5.000 . 6.000 3.575 1.602 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 4 PRO QD 1 5 LYS H 5.000 . 6.000 4.436 2.969 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 4 PRO HA 1 62 TYR QD 5.000 . 7.400 3.812 2.545 5.481 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 4 PRO QB 1 62 TYR HA 5.000 . 6.000 4.362 2.954 5.482 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 4 PRO QB 1 62 TYR QD 5.000 . 8.400 3.189 1.659 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 4 PRO QB 1 62 TYR QE 5.000 . 8.400 3.794 1.913 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 4 PRO QG 1 62 TYR QE 5.000 . 8.400 5.215 2.853 6.727 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 4 PRO QB 1 65 GLU H 5.000 . 6.000 5.531 5.385 5.653 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 4 PRO QB 1 66 MET QG 5.000 . 7.000 3.019 1.972 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 4 PRO QB 1 66 MET H 5.000 . 6.000 4.064 3.758 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 4 PRO QD 1 66 MET ME 5.000 . 7.000 3.741 1.936 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 4 PRO QG 1 66 MET HA 5.000 . 6.000 3.352 2.264 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 4 PRO QG 1 66 MET QB 5.000 . 7.000 2.491 1.722 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 4 PRO QG 1 66 MET QG 5.000 . 7.000 4.029 2.888 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 4 PRO QG 1 66 MET H 5.000 . 6.000 5.025 3.717 5.467 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 4 PRO QD 1 69 TYR QD 5.000 . 8.400 3.889 1.938 6.559 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 4 PRO QD 1 69 TYR QE 5.000 . 8.400 4.771 1.973 6.795 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 4 PRO QG 1 69 TYR QD 5.000 . 8.400 3.434 2.094 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 5 LYS H 1 5 LYS QB 3.000 . 3.600 2.576 2.167 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 5 LYS H 1 5 LYS QE 5.000 . 6.000 4.316 2.500 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 5 LYS H 1 5 LYS QG 4.000 . 5.000 2.659 1.999 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 5 LYS HA 1 6 ARG H 3.000 . 3.000 2.805 2.126 3.385 0.385 13 0 "[ . 1 . 2 . 3]" 1
25 1 5 LYS H 1 6 ARG H 4.000 . 4.000 3.384 2.159 4.139 0.139 16 0 "[ . 1 . 2 . 3]" 1
26 1 5 LYS HA 1 62 TYR QD 5.000 . 7.400 4.596 3.279 5.832 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 5 LYS HA 1 62 TYR QE 5.000 . 7.400 4.581 2.270 5.689 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 5 LYS H 1 62 TYR QD 5.000 . 7.400 3.788 2.349 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 5 LYS H 1 62 TYR QE 5.000 . 7.400 3.320 1.913 6.143 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 6 ARG H 1 6 ARG HA 3.000 . 3.000 2.470 2.201 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 6 ARG H 1 6 ARG QB 3.000 . 3.600 2.897 2.124 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 6 ARG H 1 6 ARG QD 5.000 . 6.000 4.471 2.219 5.316 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 6 ARG HA 1 7 ALA H 3.000 . 3.000 2.868 2.252 3.388 0.388 7 0 "[ . 1 . 2 . 3]" 1
34 1 6 ARG QB 1 7 ALA H 5.000 . 6.000 3.399 1.517 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 6 ARG HE 1 7 ALA MB 5.000 . 6.000 4.551 3.231 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 6 ARG H 1 7 ALA MB 5.000 . 6.000 4.795 4.066 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 6 ARG H 1 7 ALA H 5.000 . 5.000 3.158 1.837 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 6 ARG HA 1 62 TYR QD 5.000 . 7.400 2.781 1.871 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 6 ARG HA 1 62 TYR QE 4.000 . 6.400 4.333 2.817 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 6 ARG QD 1 62 TYR QE 5.000 . 8.400 5.558 2.566 6.778 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 6 ARG H 1 62 TYR QD 5.000 . 7.400 2.680 1.980 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 6 ARG H 1 62 TYR QE 4.000 . 6.400 3.566 1.909 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 6 ARG QG 1 63 HIS H 5.000 . 6.000 4.982 3.780 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 6 ARG QG 1 67 ARG HA 4.000 . 5.000 4.368 3.207 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 7 ALA HA 1 8 THR MG 5.000 . 6.000 4.640 3.637 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 7 ALA HA 1 8 THR H 3.000 . 3.000 2.466 2.297 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 7 ALA MB 1 8 THR HA 5.000 . 6.000 4.115 3.977 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 7 ALA MB 1 8 THR H 4.000 . 5.000 2.173 1.599 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 7 ALA H 1 8 THR H 5.000 . 5.000 4.404 4.317 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 7 ALA MB 1 57 LYS QG 5.000 . 7.000 5.031 4.876 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 7 ALA MB 1 58 ASP QB 5.000 . 7.000 1.849 1.701 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 7 ALA MB 1 58 ASP H 5.000 . 6.000 3.758 3.577 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 7 ALA HA 1 59 LYS HA 5.000 . 5.000 4.297 4.113 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 7 ALA MB 1 59 LYS HA 4.000 . 5.000 1.756 1.678 2.153 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 7 ALA MB 1 59 LYS QB 5.000 . 7.000 2.444 2.053 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 7 ALA MB 1 59 LYS QD 5.000 . 7.000 4.370 3.288 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 7 ALA MB 1 59 LYS QG 5.000 . 7.000 3.864 3.548 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 7 ALA MB 1 59 LYS H 5.000 . 6.000 2.607 2.427 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 7 ALA MB 1 60 GLN H 5.000 . 6.000 4.022 3.848 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 7 ALA MB 1 61 ARG HE 5.000 . 6.000 4.893 4.837 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 7 ALA MB 1 61 ARG H 5.000 . 6.000 4.490 4.207 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 7 ALA HA 1 62 TYR QB 5.000 . 6.000 3.707 3.118 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 7 ALA HA 1 62 TYR QD 5.000 . 7.400 3.867 2.488 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 7 ALA MB 1 62 TYR HA 5.000 . 6.000 4.743 4.391 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 7 ALA MB 1 62 TYR QB 5.000 . 7.000 2.208 1.866 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 7 ALA MB 1 62 TYR QD 5.000 . 8.400 3.268 1.777 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 7 ALA MB 1 62 TYR QE 5.000 . 8.400 4.402 2.886 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 7 ALA MB 1 62 TYR H 5.000 . 6.000 3.601 3.418 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 7 ALA H 1 62 TYR QB 5.000 . 6.000 3.286 2.677 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 7 ALA H 1 62 TYR QD 5.000 . 7.400 2.780 1.840 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 7 ALA H 1 62 TYR QE 5.000 . 7.400 3.757 2.487 5.602 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 7 ALA MB 1 63 HIS H 5.000 . 6.000 4.229 3.648 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 8 THR H 1 8 THR HB 4.000 . 4.000 3.125 2.841 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 8 THR HA 1 9 THR H 5.000 . 5.000 2.223 2.158 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 8 THR HB 1 9 THR H 5.000 . 5.000 3.558 2.851 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 8 THR H 1 9 THR H 5.000 . 5.000 4.471 4.421 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 8 THR HA 1 12 MET ME 5.000 . 6.000 4.896 4.786 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 8 THR MG 1 12 MET QB 5.000 . 7.000 2.190 1.672 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 8 THR MG 1 12 MET ME 5.000 . 7.000 2.973 2.418 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 8 THR MG 1 12 MET QG 5.000 . 7.000 2.929 1.737 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 8 THR HB 1 13 LEU MD1 5.000 . 6.000 3.322 3.083 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 8 THR HB 1 13 LEU MD2 5.000 . 6.000 4.467 4.346 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 8 THR HB 1 13 LEU HG 5.000 . 5.000 4.297 3.949 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 8 THR MG 1 13 LEU HA 5.000 . 6.000 2.319 1.893 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 8 THR MG 1 13 LEU QB 5.000 . 7.000 2.681 2.392 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 8 THR MG 1 13 LEU MD1 5.000 . 7.000 4.133 3.789 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 8 THR MG 1 13 LEU MD2 5.000 . 7.000 4.495 3.906 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 8 THR MG 1 13 LEU HG 5.000 . 6.000 4.908 4.695 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 8 THR MG 1 13 LEU H 5.000 . 6.000 2.711 1.974 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 8 THR H 1 13 LEU QB 5.000 . 6.000 3.983 3.685 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 8 THR MG 1 16 ASN QD 5.000 . 7.000 2.073 1.777 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 8 THR HB 1 55 ALA MB 5.000 . 6.000 3.958 3.660 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 8 THR MG 1 55 ALA HA 5.000 . 6.000 5.068 5.003 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 8 THR MG 1 55 ALA MB 5.000 . 7.000 4.678 4.431 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 8 THR H 1 55 ALA MB 5.000 . 6.000 4.451 4.077 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 THR MG 1 58 ASP QB 5.000 . 7.000 5.104 4.481 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 THR H 1 58 ASP QB 4.000 . 5.000 2.682 2.225 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 THR H 1 59 LYS H 5.000 . 5.000 4.670 4.293 5.004 0.004 26 0 "[ . 1 . 2 . 3]" 1
99 1 9 THR H 1 9 THR MG 4.000 . 5.000 3.146 2.524 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 9 THR HA 1 10 ALA MB 5.000 . 6.000 4.112 4.046 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 9 THR HA 1 10 ALA H 3.000 . 3.000 2.285 2.245 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 9 THR HB 1 10 ALA H 3.000 . 3.000 2.911 2.637 3.023 0.023 19 0 "[ . 1 . 2 . 3]" 1
103 1 9 THR MG 1 10 ALA MB 5.000 . 7.000 4.046 3.637 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 9 THR MG 1 10 ALA H 5.000 . 6.000 2.967 2.525 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 9 THR H 1 10 ALA H 5.000 . 5.000 4.601 4.576 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 9 THR HA 1 11 PHE H 4.000 . 4.000 4.195 4.147 4.234 0.234 26 0 "[ . 1 . 2 . 3]" 1
107 1 9 THR HB 1 11 PHE QD 5.000 . 7.400 5.015 4.736 5.447 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 9 THR HB 1 11 PHE H 4.000 . 4.000 2.488 2.404 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 9 THR MG 1 11 PHE QD 5.000 . 8.400 5.511 5.019 5.942 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 9 THR MG 1 11 PHE H 5.000 . 6.000 3.747 3.416 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 9 THR H 1 11 PHE QB 5.000 . 6.000 5.334 5.272 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 9 THR HA 1 12 MET H 5.000 . 5.000 4.181 4.091 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 9 THR HB 1 12 MET H 5.000 . 5.000 2.604 2.355 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 THR MG 1 12 MET QG 5.000 . 7.000 4.065 3.025 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 THR MG 1 12 MET H 5.000 . 6.000 4.108 4.001 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 9 THR H 1 12 MET HA 5.000 . 5.000 5.002 4.866 5.070 0.070 4 0 "[ . 1 . 2 . 3]" 1
117 1 9 THR H 1 12 MET QB 4.000 . 5.000 2.071 1.903 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 9 THR H 1 12 MET QG 4.000 . 5.000 2.899 2.109 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 9 THR H 1 12 MET H 4.000 . 4.000 3.586 3.381 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 9 THR HB 1 13 LEU H 5.000 . 5.000 4.609 4.326 5.008 0.008 10 0 "[ . 1 . 2 . 3]" 1
121 1 9 THR H 1 13 LEU MD1 5.000 . 6.000 4.684 4.465 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 9 THR HA 1 55 ALA MB 5.000 . 6.000 2.216 1.898 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 9 THR HB 1 55 ALA MB 5.000 . 6.000 4.036 3.859 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 9 THR MG 1 55 ALA MB 5.000 . 7.000 3.542 3.250 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 9 THR H 1 55 ALA HA 5.000 . 5.000 5.114 5.061 5.158 0.158 11 0 "[ . 1 . 2 . 3]" 1
126 1 9 THR H 1 55 ALA MB 5.000 . 6.000 4.015 3.851 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 10 ALA HA 1 11 PHE H 4.000 . 4.000 3.526 3.503 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 10 ALA MB 1 11 PHE H 4.000 . 5.000 2.436 2.357 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 10 ALA H 1 11 PHE QB 5.000 . 6.000 4.482 4.418 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 10 ALA H 1 11 PHE H 4.000 . 4.000 2.806 2.762 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 10 ALA MB 1 12 MET H 5.000 . 6.000 4.385 4.287 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 10 ALA H 1 12 MET H 5.000 . 5.000 4.056 3.946 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 10 ALA HA 1 13 LEU QB 5.000 . 6.000 3.963 3.726 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 10 ALA HA 1 13 LEU MD1 5.000 . 6.000 1.762 1.631 1.912 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 10 ALA HA 1 13 LEU MD2 5.000 . 6.000 3.221 2.010 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 10 ALA HA 1 13 LEU HG 5.000 . 5.000 4.518 3.936 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 10 ALA MB 1 13 LEU MD1 5.000 . 7.000 3.183 3.051 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 10 ALA H 1 13 LEU QB 5.000 . 6.000 5.107 4.928 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 10 ALA H 1 13 LEU MD1 5.000 . 6.000 3.561 3.240 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 10 ALA HA 1 42 TRP HZ2 5.000 . 5.000 4.070 3.575 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 10 ALA MB 1 42 TRP HE1 5.000 . 6.000 4.013 3.594 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 10 ALA MB 1 42 TRP HH2 5.000 . 6.000 1.998 1.737 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 10 ALA MB 1 42 TRP HZ2 4.000 . 5.000 1.840 1.729 1.934 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 10 ALA MB 1 42 TRP HZ3 5.000 . 6.000 4.201 3.888 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 10 ALA H 1 42 TRP HZ2 5.000 . 5.000 4.728 4.372 5.015 0.015 20 0 "[ . 1 . 2 . 3]" 1
146 1 10 ALA MB 1 48 LYS QB 5.000 . 7.000 4.591 4.193 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 10 ALA MB 1 48 LYS QG 5.000 . 7.000 2.921 2.494 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 10 ALA MB 1 51 TRP QB 5.000 . 7.000 4.347 3.876 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 10 ALA MB 1 52 GLU HA 5.000 . 6.000 1.933 1.797 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 10 ALA MB 1 52 GLU QB 5.000 . 7.000 2.223 1.759 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 10 ALA MB 1 52 GLU QG 5.000 . 7.000 2.972 1.607 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 10 ALA MB 1 52 GLU H 5.000 . 6.000 3.804 3.540 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 10 ALA H 1 52 GLU QB 5.000 . 6.000 4.857 4.460 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 10 ALA HA 1 55 ALA MB 5.000 . 6.000 2.015 1.826 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 11 PHE HA 1 11 PHE QE 5.000 . 7.000 4.496 4.153 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 11 PHE H 1 11 PHE QD 5.000 . 7.400 4.098 4.063 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 11 PHE H 1 11 PHE QE 5.000 . 7.400 6.130 6.103 6.167 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 11 PHE QB 1 12 MET H 5.000 . 6.000 2.658 2.499 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 11 PHE QD 1 12 MET HA 5.000 . 7.400 3.638 2.857 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 11 PHE QD 1 12 MET QB 5.000 . 8.400 4.823 3.734 5.727 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 11 PHE QD 1 12 MET ME 5.000 . 8.400 4.589 3.655 5.591 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 11 PHE QD 1 12 MET QG 5.000 . 8.400 4.408 3.166 6.639 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 11 PHE QD 1 12 MET H 5.000 . 7.400 4.003 3.552 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 11 PHE QE 1 12 MET ME 5.000 . 8.400 5.589 4.914 6.377 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 11 PHE H 1 12 MET QB 5.000 . 6.000 4.426 4.191 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 11 PHE H 1 12 MET H 4.000 . 4.000 2.581 2.500 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 11 PHE H 1 13 LEU H 5.000 . 5.000 4.543 4.004 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 11 PHE HA 1 14 TRP QB 5.000 . 6.000 3.189 2.848 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 11 PHE HA 1 14 TRP HE3 5.000 . 5.000 2.611 2.357 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 11 PHE HA 1 14 TRP H 5.000 . 5.000 3.930 3.754 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 11 PHE QD 1 14 TRP HE3 5.000 . 7.400 3.220 2.405 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 11 PHE QD 1 14 TRP HZ3 5.000 . 7.400 3.020 2.326 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 11 PHE QE 1 14 TRP HE3 5.000 . 7.400 4.232 3.748 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 11 PHE QE 1 14 TRP HH2 5.000 . 7.400 3.665 2.521 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 11 PHE QE 1 14 TRP HZ3 4.000 . 6.400 2.479 1.846 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 11 PHE H 1 14 TRP QB 5.000 . 6.000 4.890 4.639 5.107 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 11 PHE HZ 1 14 TRP HE3 5.000 . 6.000 5.685 5.380 6.020 0.020 12 0 "[ . 1 . 2 . 3]" 1
178 1 11 PHE HZ 1 14 TRP HZ3 4.000 . 5.000 3.535 3.244 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 11 PHE HA 1 15 LEU H 5.000 . 5.000 3.802 3.649 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 11 PHE QD 1 15 LEU MD1 5.000 . 8.400 4.261 4.013 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 11 PHE QD 1 15 LEU MD2 5.000 . 8.400 3.286 2.564 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 11 PHE QD 1 15 LEU H 5.000 . 7.400 4.202 3.916 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 11 PHE QE 1 15 LEU MD1 5.000 . 8.400 3.251 2.781 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 11 PHE QE 1 15 LEU MD2 5.000 . 8.400 2.600 1.936 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 11 PHE HZ 1 15 LEU MD1 5.000 . 7.000 4.326 3.987 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 11 PHE HZ 1 15 LEU MD2 5.000 . 7.000 4.182 3.981 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 11 PHE QE 1 35 ALA HA 5.000 . 7.400 3.114 2.212 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 11 PHE QE 1 35 ALA MB 5.000 . 8.400 3.398 2.742 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 11 PHE HZ 1 35 ALA HA 5.000 . 6.000 4.036 3.738 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 11 PHE HZ 1 35 ALA MB 5.000 . 7.000 4.313 4.101 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 11 PHE QE 1 38 GLY QA 5.000 . 8.400 3.964 3.280 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 11 PHE HZ 1 38 GLY QA 5.000 . 7.000 4.146 3.777 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 11 PHE QD 1 39 GLY QA 5.000 . 8.400 3.598 3.379 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 11 PHE QE 1 39 GLY QA 5.000 . 8.400 1.906 1.692 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 11 PHE QE 1 39 GLY H 5.000 . 7.400 3.293 2.669 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 11 PHE HZ 1 39 GLY QA 5.000 . 7.000 2.019 1.896 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 11 PHE HZ 1 39 GLY H 4.000 . 5.000 2.286 2.003 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 11 PHE QE 1 41 MET ME 5.000 . 8.400 5.740 5.077 6.288 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 11 PHE HA 1 42 TRP HE1 5.000 . 5.000 3.806 3.075 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 11 PHE HA 1 42 TRP HZ2 5.000 . 5.000 3.528 3.021 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 11 PHE HA 1 42 TRP HZ3 5.000 . 5.000 4.584 4.121 5.012 0.012 17 0 "[ . 1 . 2 . 3]" 1
202 1 11 PHE QB 1 42 TRP HD1 5.000 . 6.000 4.687 3.989 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 11 PHE QB 1 42 TRP HE1 4.000 . 5.000 3.363 2.581 3.902 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 11 PHE QD 1 42 TRP HA 5.000 . 7.400 6.293 5.250 6.812 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 11 PHE QD 1 42 TRP QB 5.000 . 8.400 3.933 3.088 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 11 PHE QD 1 42 TRP HD1 5.000 . 7.400 3.118 2.291 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 11 PHE QD 1 42 TRP HE1 5.000 . 7.400 2.897 2.023 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 11 PHE QD 1 42 TRP HE3 5.000 . 7.400 5.406 3.868 6.109 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 11 PHE QD 1 42 TRP H 5.000 . 7.400 6.097 5.468 6.458 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 11 PHE QE 1 42 TRP HA 5.000 . 7.400 6.035 4.881 6.540 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 11 PHE QE 1 42 TRP QB 5.000 . 8.400 3.300 2.083 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 11 PHE QE 1 42 TRP H 5.000 . 7.400 4.887 3.889 5.383 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 11 PHE H 1 42 TRP HE1 5.000 . 5.000 4.605 3.948 5.002 0.002 9 0 "[ . 1 . 2 . 3]" 1
214 1 11 PHE H 1 42 TRP HZ2 4.000 . 4.000 3.506 2.894 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 12 MET HA 1 12 MET ME 5.000 . 6.000 1.963 1.876 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 12 MET HA 1 13 LEU H 5.000 . 5.000 3.552 3.352 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 12 MET QB 1 13 LEU H 5.000 . 6.000 2.418 2.056 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 12 MET QG 1 13 LEU H 5.000 . 6.000 3.872 2.487 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 12 MET H 1 13 LEU HA 5.000 . 5.000 5.153 5.007 5.197 0.197 26 0 "[ . 1 . 2 . 3]" 1
220 1 12 MET H 1 13 LEU MD2 5.000 . 6.000 4.716 3.605 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 12 MET H 1 13 LEU H 4.000 . 4.000 2.684 2.524 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 12 MET H 1 14 TRP H 5.000 . 5.000 3.818 3.664 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 12 MET HA 1 15 LEU QB 5.000 . 6.000 2.429 2.379 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 12 MET HA 1 15 LEU MD1 5.000 . 6.000 5.094 5.055 5.137 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 12 MET HA 1 15 LEU MD2 5.000 . 6.000 3.399 3.202 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 12 MET HA 1 15 LEU H 4.000 . 4.000 3.401 3.237 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 12 MET QB 1 15 LEU H 5.000 . 6.000 4.835 4.708 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 12 MET ME 1 15 LEU MD1 5.000 . 7.000 4.754 4.183 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 12 MET ME 1 15 LEU MD2 5.000 . 7.000 2.813 2.239 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 12 MET ME 1 15 LEU HG 5.000 . 6.000 3.954 3.038 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 12 MET HA 1 16 ASN QD 5.000 . 6.000 4.795 3.553 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 12 MET HA 1 16 ASN H 5.000 . 5.000 4.089 3.961 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 12 MET QB 1 16 ASN QD 5.000 . 7.000 3.773 2.954 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 12 MET QB 1 16 ASN H 5.000 . 6.000 4.988 4.707 5.452 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 12 MET ME 1 16 ASN QD 5.000 . 7.000 3.146 1.933 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 12 MET ME 1 16 ASN H 5.000 . 6.000 3.905 2.856 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 12 MET QG 1 16 ASN QD 5.000 . 7.000 4.625 1.958 5.620 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 13 LEU HA 1 13 LEU MD2 4.000 . 5.000 3.256 3.205 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 13 LEU H 1 13 LEU MD1 5.000 . 6.000 2.868 2.450 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 13 LEU H 1 13 LEU MD2 5.000 . 6.000 3.291 2.427 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 13 LEU HA 1 14 TRP H 5.000 . 5.000 3.472 3.420 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 13 LEU QB 1 14 TRP H 5.000 . 6.000 3.547 3.429 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 13 LEU MD1 1 14 TRP H 5.000 . 6.000 3.265 2.899 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 13 LEU H 1 14 TRP QB 5.000 . 6.000 4.562 3.676 4.778 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 13 LEU HA 1 15 LEU H 5.000 . 5.000 4.587 4.389 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 13 LEU QB 1 15 LEU H 5.000 . 6.000 5.253 5.116 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 13 LEU H 1 15 LEU H 5.000 . 5.000 4.195 3.346 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 13 LEU HA 1 16 ASN QB 5.000 . 6.000 2.221 2.116 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 13 LEU HA 1 16 ASN QD 4.000 . 5.000 2.246 2.141 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 13 LEU HA 1 16 ASN H 4.000 . 4.000 3.492 3.398 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 13 LEU MD1 1 16 ASN QB 5.000 . 7.000 5.310 5.189 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 13 LEU MD2 1 16 ASN QB 5.000 . 7.000 3.945 3.847 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 13 LEU MD2 1 16 ASN QD 5.000 . 7.000 4.881 4.850 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 13 LEU MD2 1 16 ASN H 5.000 . 6.000 4.141 4.035 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 13 LEU H 1 16 ASN QB 5.000 . 6.000 4.209 4.055 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 13 LEU HA 1 17 ASP H 5.000 . 5.000 4.433 4.219 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 13 LEU MD1 1 48 LYS QG 5.000 . 7.000 5.132 5.055 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 13 LEU MD2 1 48 LYS QG 5.000 . 7.000 5.089 4.350 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 13 LEU MD2 1 51 TRP HA 5.000 . 6.000 2.999 2.369 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 13 LEU MD2 1 51 TRP QB 4.000 . 6.000 1.828 1.688 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 13 LEU MD1 1 53 ASP HA 5.000 . 6.000 5.038 4.935 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 13 LEU MD1 1 54 ALA HA 5.000 . 6.000 4.067 3.697 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 13 LEU MD1 1 54 ALA MB 5.000 . 7.000 2.120 1.747 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 13 LEU MD2 1 54 ALA MB 5.000 . 7.000 2.723 2.149 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 13 LEU MD1 1 55 ALA HA 5.000 . 6.000 2.338 2.106 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 13 LEU MD1 1 55 ALA MB 5.000 . 7.000 1.733 1.626 1.871 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 13 LEU MD1 1 55 ALA H 4.000 . 5.000 1.758 1.561 1.846 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 13 LEU MD2 1 55 ALA HA 5.000 . 6.000 5.026 4.826 5.121 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 13 LEU MD2 1 55 ALA MB 5.000 . 7.000 3.764 3.214 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 13 LEU MD1 1 56 ALA H 5.000 . 6.000 3.954 3.825 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 13 LEU MD1 1 57 LYS H 5.000 . 6.000 4.904 4.758 5.039 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 13 LEU MD1 1 58 ASP H 5.000 . 6.000 4.864 4.704 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 14 TRP QB 1 15 LEU H 5.000 . 6.000 2.749 2.643 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 14 TRP HE3 1 15 LEU HA 5.000 . 5.000 3.186 3.050 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 14 TRP HE3 1 15 LEU QB 5.000 . 6.000 2.279 2.149 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 14 TRP HE3 1 15 LEU MD1 5.000 . 6.000 3.747 3.572 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 14 TRP HE3 1 15 LEU MD2 5.000 . 6.000 4.341 4.229 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 14 TRP HE3 1 15 LEU H 4.000 . 4.000 1.986 1.888 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 14 TRP HH2 1 15 LEU MD1 5.000 . 6.000 2.741 2.517 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 14 TRP H 1 15 LEU H 5.000 . 5.000 2.292 2.092 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 14 TRP HZ2 1 15 LEU MD1 5.000 . 6.000 4.062 3.790 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 14 TRP HZ3 1 15 LEU MD1 5.000 . 6.000 2.412 2.056 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 14 TRP HZ3 1 15 LEU MD2 5.000 . 6.000 3.287 3.112 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 14 TRP HZ3 1 15 LEU H 5.000 . 5.000 3.965 3.890 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 14 TRP QB 1 16 ASN H 5.000 . 6.000 4.407 4.316 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 14 TRP HE1 1 18 THR HB 5.000 . 5.000 3.503 3.230 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 14 TRP HH2 1 18 THR MG 5.000 . 6.000 3.303 3.170 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 14 TRP HZ2 1 18 THR MG 5.000 . 6.000 2.281 2.125 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 14 TRP HH2 1 38 GLY QA 5.000 . 6.000 1.723 1.552 1.817 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 14 TRP HH2 1 38 GLY H 5.000 . 5.000 3.818 3.730 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 14 TRP HZ2 1 38 GLY QA 5.000 . 6.000 2.879 2.585 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 14 TRP HZ3 1 38 GLY QA 5.000 . 6.000 3.309 2.997 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 14 TRP HZ3 1 38 GLY H 5.000 . 5.000 5.103 5.049 5.180 0.180 27 0 "[ . 1 . 2 . 3]" 1
294 1 14 TRP HH2 1 39 GLY H 5.000 . 5.000 3.107 3.003 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 14 TRP HZ2 1 39 GLY H 5.000 . 5.000 5.212 5.171 5.289 0.289 20 0 "[ . 1 . 2 . 3]" 1
296 1 14 TRP HZ3 1 39 GLY H 5.000 . 5.000 3.925 3.747 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 14 TRP HH2 1 40 GLU QG 5.000 . 6.000 5.083 4.952 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 14 TRP HZ2 1 40 GLU QG 5.000 . 6.000 5.487 5.454 5.566 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 14 TRP HE1 1 41 MET ME 5.000 . 6.000 4.011 2.552 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 14 TRP HE1 1 41 MET QG 5.000 . 6.000 3.575 3.252 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 14 TRP HH2 1 41 MET QB 5.000 . 6.000 5.038 4.916 5.222 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 14 TRP HH2 1 41 MET ME 4.000 . 5.000 2.987 2.837 3.282 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 14 TRP HH2 1 41 MET QG 5.000 . 6.000 2.966 2.842 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 14 TRP HZ2 1 41 MET QB 4.000 . 5.000 3.895 3.796 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 14 TRP HZ2 1 41 MET ME 4.000 . 5.000 2.235 1.709 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 14 TRP HZ2 1 41 MET QG 5.000 . 6.000 1.900 1.795 2.032 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 14 TRP HZ3 1 41 MET ME 5.000 . 6.000 4.810 4.776 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 14 TRP QB 1 42 TRP HZ3 4.000 . 5.000 1.885 1.828 2.038 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 14 TRP HE1 1 42 TRP HE3 5.000 . 5.000 3.330 2.850 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 14 TRP HE1 1 42 TRP HZ3 5.000 . 5.000 4.992 4.279 5.060 0.060 10 0 "[ . 1 . 2 . 3]" 1
311 1 14 TRP HZ3 1 42 TRP H 5.000 . 5.000 5.155 5.104 5.225 0.225 18 0 "[ . 1 . 2 . 3]" 1
312 1 14 TRP HE1 1 45 LEU MD1 4.000 . 5.000 2.111 1.790 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 14 TRP HE1 1 45 LEU MD2 4.000 . 5.000 3.332 2.440 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 14 TRP HE1 1 45 LEU HG 5.000 . 5.000 4.662 2.692 5.044 0.044 15 0 "[ . 1 . 2 . 3]" 1
315 1 14 TRP HZ2 1 45 LEU MD1 5.000 . 6.000 3.852 3.331 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 14 TRP HZ2 1 45 LEU MD2 5.000 . 6.000 4.715 4.376 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 15 LEU H 1 15 LEU MD2 5.000 . 6.000 4.322 4.278 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 15 LEU H 1 15 LEU HG 5.000 . 5.000 4.452 4.422 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 15 LEU QB 1 16 ASN H 5.000 . 6.000 3.084 2.982 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 15 LEU MD2 1 16 ASN H 5.000 . 6.000 4.772 4.599 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 15 LEU HG 1 16 ASN H 5.000 . 5.000 4.184 4.024 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 15 LEU H 1 16 ASN QB 5.000 . 6.000 4.000 3.920 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 15 LEU H 1 16 ASN H 4.000 . 4.000 2.521 2.457 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 15 LEU HA 1 18 THR H 4.000 . 4.000 3.163 3.087 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 15 LEU MD1 1 18 THR HB 5.000 . 6.000 4.171 3.846 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 15 LEU MD1 1 18 THR H 5.000 . 6.000 4.355 4.132 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 15 LEU H 1 18 THR MG 5.000 . 6.000 4.418 4.341 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 15 LEU HA 1 19 ARG H 5.000 . 5.000 2.909 2.598 3.066 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 15 LEU QB 1 19 ARG H 5.000 . 6.000 4.344 4.232 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 15 LEU MD1 1 19 ARG HA 5.000 . 6.000 2.313 2.106 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 15 LEU MD1 1 19 ARG QB 5.000 . 7.000 2.419 1.816 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 15 LEU MD1 1 19 ARG QG 5.000 . 7.000 4.019 3.683 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 15 LEU MD1 1 19 ARG H 5.000 . 6.000 3.196 3.067 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 15 LEU MD2 1 19 ARG HE 5.000 . 6.000 4.349 2.710 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 15 LEU MD2 1 19 ARG H 5.000 . 6.000 4.959 4.889 5.030 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 15 LEU HG 1 19 ARG H 5.000 . 5.000 3.490 3.397 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 15 LEU MD1 1 20 GLU H 5.000 . 6.000 4.813 4.744 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 15 LEU HG 1 20 GLU H 5.000 . 5.000 5.233 5.166 5.279 0.279 27 0 "[ . 1 . 2 . 3]" 1
339 1 15 LEU MD1 1 34 ILE MG 5.000 . 7.000 1.895 1.762 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 15 LEU HG 1 34 ILE MG 5.000 . 6.000 2.909 2.547 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 15 LEU MD1 1 35 ALA HA 5.000 . 6.000 2.521 2.217 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 15 LEU MD1 1 35 ALA MB 5.000 . 7.000 3.740 3.441 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 15 LEU MD1 1 35 ALA H 5.000 . 6.000 3.923 3.680 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 15 LEU MD2 1 35 ALA HA 5.000 . 6.000 1.897 1.780 2.008 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 15 LEU MD2 1 35 ALA MB 5.000 . 7.000 2.374 2.034 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 15 LEU MD2 1 35 ALA H 5.000 . 6.000 3.435 3.108 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 15 LEU MD2 1 36 LYS H 5.000 . 6.000 4.735 4.566 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 15 LEU MD1 1 38 GLY QA 5.000 . 7.000 2.417 2.119 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 15 LEU MD1 1 38 GLY H 5.000 . 6.000 3.662 3.350 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 15 LEU MD2 1 38 GLY H 5.000 . 6.000 4.852 4.433 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 15 LEU MD1 1 39 GLY H 5.000 . 6.000 3.990 3.715 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 15 LEU MD2 1 39 GLY H 5.000 . 6.000 4.789 4.632 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 16 ASN H 1 16 ASN QD 5.000 . 6.000 3.890 3.289 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 16 ASN HA 1 17 ASP H 5.000 . 5.000 3.468 3.458 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 16 ASN QB 1 17 ASP HA 5.000 . 6.000 3.724 3.690 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 16 ASN QB 1 17 ASP H 5.000 . 6.000 2.320 2.209 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 16 ASN QD 1 17 ASP H 5.000 . 6.000 4.689 4.606 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 16 ASN H 1 17 ASP HA 5.000 . 5.000 5.103 5.048 5.136 0.136 14 0 "[ . 1 . 2 . 3]" 1
359 1 16 ASN H 1 17 ASP H 4.000 . 4.000 2.431 2.349 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 16 ASN HA 1 18 THR H 5.000 . 5.000 4.258 4.132 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 16 ASN QB 1 18 THR H 5.000 . 6.000 4.194 4.140 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 16 ASN H 1 18 THR H 5.000 . 5.000 3.429 3.269 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 16 ASN HA 1 19 ARG QB 5.000 . 6.000 2.824 2.321 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 16 ASN HA 1 19 ARG QD 5.000 . 6.000 3.641 1.758 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 16 ASN HA 1 19 ARG HE 5.000 . 5.000 3.344 1.965 5.020 0.020 7 0 "[ . 1 . 2 . 3]" 1
366 1 16 ASN HA 1 19 ARG QG 5.000 . 6.000 3.425 2.298 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 16 ASN HA 1 19 ARG H 4.000 . 4.000 3.536 3.344 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 16 ASN QB 1 19 ARG H 5.000 . 6.000 4.646 4.522 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 16 ASN H 1 19 ARG H 5.000 . 5.000 3.856 3.697 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 17 ASP HA 1 18 THR H 4.000 . 4.000 3.492 3.444 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 17 ASP QB 1 18 THR MG 5.000 . 7.000 4.966 4.887 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 17 ASP QB 1 18 THR H 4.000 . 5.000 2.991 2.928 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 17 ASP H 1 18 THR HA 5.000 . 5.000 5.016 4.975 5.045 0.045 29 0 "[ . 1 . 2 . 3]" 1
374 1 17 ASP H 1 18 THR HB 5.000 . 5.000 4.161 4.090 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 17 ASP H 1 18 THR MG 5.000 . 6.000 5.008 4.958 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 17 ASP H 1 18 THR H 4.000 . 4.000 2.394 2.346 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 17 ASP HA 1 19 ARG H 5.000 . 5.000 4.442 4.325 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 17 ASP QB 1 19 ARG H 5.000 . 6.000 4.723 4.654 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 17 ASP H 1 19 ARG H 5.000 . 5.000 3.712 3.620 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 18 THR H 1 18 THR HB 4.000 . 4.000 2.142 2.103 2.172 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 18 THR HA 1 19 ARG H 4.000 . 4.000 3.503 3.468 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 18 THR HB 1 19 ARG H 4.000 . 4.000 3.426 3.331 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 18 THR MG 1 19 ARG HA 5.000 . 6.000 3.089 3.018 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 18 THR MG 1 19 ARG H 5.000 . 6.000 2.955 2.769 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 18 THR H 1 19 ARG HA 5.000 . 5.000 4.716 4.632 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 18 THR H 1 19 ARG QB 5.000 . 6.000 4.048 3.854 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 18 THR H 1 19 ARG QG 5.000 . 6.000 5.000 4.145 5.501 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 18 THR H 1 19 ARG H 4.000 . 4.000 2.132 2.050 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 18 THR HB 1 20 GLU H 5.000 . 5.000 5.202 5.165 5.234 0.234 28 0 "[ . 1 . 2 . 3]" 1
390 1 18 THR H 1 20 GLU H 5.000 . 5.000 3.772 3.662 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 18 THR HA 1 21 SER HA 5.000 . 5.000 4.506 4.387 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 18 THR HA 1 21 SER QB 5.000 . 6.000 2.161 1.947 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 18 THR HB 1 21 SER H 5.000 . 5.000 5.065 5.018 5.134 0.134 24 0 "[ . 1 . 2 . 3]" 1
394 1 18 THR MG 1 21 SER QB 5.000 . 7.000 2.914 2.749 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 18 THR MG 1 21 SER H 5.000 . 6.000 3.931 3.843 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 18 THR HB 1 22 ILE MD 5.000 . 6.000 4.398 4.123 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 18 THR MG 1 22 ILE MD 5.000 . 7.000 2.081 1.851 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 18 THR MG 1 22 ILE QG 5.000 . 7.000 2.053 1.879 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 18 THR MG 1 41 MET ME 5.000 . 7.000 2.053 1.691 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 19 ARG H 1 19 ARG QD 5.000 . 6.000 4.462 3.385 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 19 ARG H 1 19 ARG QG 4.000 . 5.000 3.315 2.500 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 19 ARG HA 1 20 GLU H 4.000 . 4.000 3.433 3.404 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 19 ARG QB 1 20 GLU H 4.000 . 5.000 3.068 2.781 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 19 ARG QD 1 20 GLU H 5.000 . 6.000 4.513 3.784 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 19 ARG QG 1 20 GLU HA 5.000 . 6.000 3.032 2.830 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 19 ARG QG 1 20 GLU H 4.000 . 5.000 2.619 1.904 3.071 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 19 ARG H 1 20 GLU H 4.000 . 4.000 2.460 2.425 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 19 ARG HA 1 21 SER H 4.000 . 4.000 4.118 4.057 4.158 0.158 22 0 "[ . 1 . 2 . 3]" 1
409 1 19 ARG QG 1 21 SER H 5.000 . 6.000 4.491 4.109 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 19 ARG HA 1 22 ILE HB 5.000 . 5.000 2.905 2.469 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 19 ARG HA 1 22 ILE MD 5.000 . 6.000 2.386 1.869 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 19 ARG HA 1 22 ILE QG 4.000 . 5.000 1.681 1.441 1.953 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 19 ARG QD 1 22 ILE QG 5.000 . 7.000 5.332 5.141 5.487 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 19 ARG QG 1 22 ILE H 4.000 . 5.000 4.463 4.232 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 19 ARG H 1 22 ILE H 5.000 . 5.000 4.578 4.504 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 19 ARG QB 1 34 ILE MG 5.000 . 7.000 1.964 1.686 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 19 ARG QD 1 34 ILE MD 5.000 . 7.000 3.183 2.036 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 19 ARG QD 1 34 ILE MG 5.000 . 7.000 2.977 2.366 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 19 ARG HE 1 34 ILE MG 5.000 . 6.000 4.315 1.871 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 19 ARG QG 1 34 ILE MD 5.000 . 7.000 3.188 2.353 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 19 ARG QG 1 34 ILE MG 4.000 . 6.000 2.470 1.869 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 20 GLU H 1 20 GLU HA 3.000 . 3.000 2.876 2.852 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 20 GLU H 1 20 GLU QB 3.000 . 3.600 2.273 2.089 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 20 GLU H 1 20 GLU QG 3.000 . 4.000 2.989 2.203 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 20 GLU HA 1 21 SER HA 5.000 . 5.000 4.767 4.749 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 20 GLU QB 1 21 SER H 3.000 . 4.000 3.060 2.527 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 20 GLU QG 1 21 SER H 4.000 . 5.000 2.472 1.852 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 20 GLU H 1 21 SER HA 5.000 . 5.000 5.119 5.085 5.135 0.135 15 0 "[ . 1 . 2 . 3]" 1
429 1 20 GLU H 1 21 SER H 3.000 . 3.000 2.440 2.396 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 20 GLU QG 1 22 ILE H 5.000 . 6.000 4.391 4.080 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 20 GLU H 1 22 ILE H 4.000 . 4.000 3.796 3.696 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 20 GLU HA 1 23 LYS QB 4.000 . 5.000 3.453 3.161 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 20 GLU HA 1 23 LYS QD 5.000 . 6.000 5.100 4.912 5.514 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 20 GLU HA 1 23 LYS H 5.000 . 5.000 3.647 3.414 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 20 GLU H 1 23 LYS H 5.000 . 5.000 5.037 4.932 5.123 0.123 19 0 "[ . 1 . 2 . 3]" 1
436 1 20 GLU QG 1 24 ARG HE 5.000 . 6.000 4.579 2.600 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 20 GLU QG 1 24 ARG H 5.000 . 6.000 5.039 4.458 5.373 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 20 GLU H 1 34 ILE MG 5.000 . 6.000 4.401 4.146 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 21 SER H 1 21 SER HA 3.000 . 3.000 2.827 2.816 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 21 SER H 1 21 SER QB 3.000 . 3.600 2.423 2.123 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 21 SER HA 1 22 ILE H 5.000 . 5.000 3.373 3.331 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 21 SER QB 1 22 ILE MG 5.000 . 7.000 5.012 4.913 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 21 SER QB 1 22 ILE H 5.000 . 6.000 3.049 2.864 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 21 SER H 1 22 ILE HB 5.000 . 5.000 5.075 4.937 5.149 0.149 19 0 "[ . 1 . 2 . 3]" 1
445 1 21 SER H 1 22 ILE MD 5.000 . 6.000 5.061 5.005 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 21 SER H 1 22 ILE QG 5.000 . 6.000 3.598 3.548 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 21 SER HA 1 23 LYS H 5.000 . 5.000 4.578 4.305 5.053 0.053 21 0 "[ . 1 . 2 . 3]" 1
448 1 21 SER HA 1 24 ARG QB 5.000 . 6.000 3.037 2.442 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 21 SER HA 1 24 ARG QD 5.000 . 6.000 2.635 1.865 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 21 SER HA 1 24 ARG HE 5.000 . 5.000 3.595 1.900 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 21 SER HA 1 24 ARG H 4.000 . 4.000 3.613 3.262 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 21 SER H 1 24 ARG QD 5.000 . 6.000 4.610 3.976 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 22 ILE H 1 22 ILE HB 3.000 . 3.000 2.690 2.544 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 22 ILE H 1 22 ILE MD 4.000 . 5.000 3.736 3.654 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 22 ILE H 1 22 ILE QG 3.000 . 4.000 2.074 1.962 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 22 ILE HA 1 23 LYS H 4.000 . 4.000 3.546 3.522 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 22 ILE MD 1 23 LYS H 5.000 . 6.000 4.663 4.315 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 22 ILE QG 1 23 LYS HA 5.000 . 6.000 5.510 5.412 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 22 ILE MG 1 23 LYS HA 5.000 . 6.000 3.697 3.483 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 22 ILE MG 1 23 LYS H 4.000 . 5.000 3.652 3.334 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 22 ILE HA 1 24 ARG H 5.000 . 5.000 4.135 4.028 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 22 ILE MG 1 24 ARG H 5.000 . 6.000 4.961 4.805 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 22 ILE H 1 24 ARG QB 5.000 . 6.000 4.881 4.501 5.235 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 22 ILE HA 1 25 GLU QB 5.000 . 6.000 2.628 2.134 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 22 ILE HA 1 25 GLU H 4.000 . 4.000 3.372 3.237 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 22 ILE MG 1 25 GLU H 5.000 . 6.000 4.630 4.439 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 22 ILE H 1 25 GLU QG 5.000 . 6.000 4.593 3.928 5.125 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 22 ILE HA 1 26 ASN QD 4.000 . 5.000 3.365 2.564 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 22 ILE MG 1 26 ASN QD 4.000 . 6.000 2.759 1.803 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 22 ILE HB 1 34 ILE MG 5.000 . 6.000 1.881 1.698 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 22 ILE MD 1 34 ILE MD 5.000 . 7.000 4.608 4.331 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 22 ILE MD 1 36 LYS H 5.000 . 6.000 4.963 4.909 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 22 ILE MD 1 37 LYS QG 5.000 . 7.000 3.227 2.213 5.125 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 22 ILE MD 1 37 LYS H 5.000 . 6.000 4.537 4.290 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 22 ILE MG 1 37 LYS QB 5.000 . 7.000 3.294 2.370 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 22 ILE MG 1 37 LYS QD 5.000 . 7.000 2.232 1.726 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 22 ILE MG 1 37 LYS QG 5.000 . 7.000 2.420 1.754 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 22 ILE MG 1 37 LYS H 5.000 . 6.000 4.224 3.881 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 22 ILE MD 1 38 GLY QA 5.000 . 7.000 2.007 1.839 2.175 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 22 ILE MD 1 41 MET ME 5.000 . 7.000 1.952 1.709 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 22 ILE QG 1 41 MET ME 5.000 . 7.000 2.187 1.765 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 22 ILE MG 1 41 MET ME 5.000 . 7.000 2.977 2.678 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 22 ILE MG 1 41 MET QG 5.000 . 7.000 4.938 4.843 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 23 LYS H 1 23 LYS QE 5.000 . 6.000 5.017 4.629 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 23 LYS H 1 23 LYS QG 4.000 . 5.000 3.870 2.451 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 23 LYS HA 1 24 ARG H 5.000 . 5.000 3.482 3.461 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 23 LYS QB 1 24 ARG H 5.000 . 6.000 2.940 2.800 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 23 LYS QG 1 24 ARG H 5.000 . 6.000 4.481 4.266 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 23 LYS HA 1 25 GLU H 5.000 . 5.000 4.379 4.086 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 23 LYS HA 1 26 ASN QD 5.000 . 6.000 4.303 3.700 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 23 LYS HA 1 26 ASN H 4.000 . 4.000 3.239 3.063 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 23 LYS H 1 26 ASN H 5.000 . 5.000 4.614 4.388 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 23 LYS HA 1 29 ILE QG 5.000 . 6.000 2.860 2.664 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 23 LYS HA 1 29 ILE MG 5.000 . 6.000 3.631 3.555 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 23 LYS QB 1 29 ILE MD 5.000 . 7.000 3.507 3.302 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 23 LYS QB 1 29 ILE MG 5.000 . 7.000 5.174 5.089 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 23 LYS QD 1 29 ILE MD 4.000 . 6.000 2.140 1.761 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 23 LYS QD 1 29 ILE MG 5.000 . 7.000 3.879 3.522 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 23 LYS QG 1 29 ILE MG 5.000 . 7.000 4.095 3.793 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 23 LYS QG 1 29 ILE H 5.000 . 6.000 3.543 3.190 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 23 LYS QG 1 30 LYS H 5.000 . 6.000 5.300 5.258 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 23 LYS QD 1 33 GLU QG 4.000 . 6.000 4.634 4.374 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 23 LYS HA 1 34 ILE MD 5.000 . 6.000 4.427 4.123 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 23 LYS QD 1 34 ILE MD 5.000 . 7.000 1.854 1.766 1.931 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 23 LYS QE 1 34 ILE MD 5.000 . 7.000 1.826 1.686 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 23 LYS QG 1 34 ILE MD 5.000 . 7.000 3.485 1.785 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 23 LYS QG 1 34 ILE MG 5.000 . 7.000 4.836 2.205 5.147 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 24 ARG HA 1 24 ARG HE 5.000 . 5.000 4.399 2.555 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 24 ARG H 1 24 ARG HA 3.000 . 3.000 2.872 2.859 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 24 ARG QB 1 24 ARG HE 4.000 . 5.000 2.269 1.866 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 24 ARG H 1 24 ARG QB 3.000 . 3.600 2.324 2.092 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 24 ARG H 1 24 ARG QD 5.000 . 6.000 3.573 2.002 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 24 ARG HA 1 25 GLU HA 5.000 . 5.000 4.780 4.711 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 24 ARG HA 1 25 GLU H 4.000 . 4.000 3.479 3.455 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 24 ARG QD 1 25 GLU QG 5.000 . 7.000 4.498 3.036 5.659 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 24 ARG QD 1 25 GLU H 5.000 . 6.000 4.290 3.740 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 24 ARG HE 1 25 GLU QG 5.000 . 6.000 5.087 4.037 5.426 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 24 ARG QG 1 25 GLU H 5.000 . 6.000 3.192 1.818 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 24 ARG H 1 25 GLU QB 5.000 . 6.000 4.412 4.130 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 24 ARG H 1 25 GLU QG 5.000 . 6.000 4.246 3.394 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 24 ARG HA 1 26 ASN H 5.000 . 5.000 3.644 3.549 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 24 ARG H 1 26 ASN H 5.000 . 5.000 3.524 3.340 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 25 GLU H 1 25 GLU HA 3.000 . 3.000 2.841 2.828 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 25 GLU H 1 25 GLU QG 4.000 . 5.000 2.440 1.825 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 25 GLU HA 1 26 ASN H 4.000 . 4.000 3.366 3.346 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 25 GLU QB 1 26 ASN QD 4.000 . 6.000 2.334 2.043 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 25 GLU QB 1 26 ASN H 5.000 . 6.000 3.217 3.090 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 25 GLU H 1 26 ASN HA 5.000 . 5.000 5.134 5.107 5.163 0.163 22 0 "[ . 1 . 2 . 3]" 1
529 1 25 GLU H 1 26 ASN QB 5.000 . 6.000 4.827 4.735 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 25 GLU H 1 26 ASN QD 5.000 . 6.000 3.923 3.331 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 25 GLU H 1 26 ASN H 4.000 . 4.000 2.495 2.434 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 26 ASN H 1 26 ASN QD 4.000 . 5.000 3.011 2.437 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 26 ASN HA 1 27 PRO QD 4.000 . 5.000 2.112 2.001 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 26 ASN HA 1 27 PRO QG 5.000 . 6.000 4.003 3.894 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 26 ASN H 1 27 PRO HA 5.000 . 5.000 4.208 4.140 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 26 ASN H 1 27 PRO QD 4.000 . 5.000 2.824 2.603 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 26 ASN HA 1 28 GLY H 5.000 . 5.000 3.876 3.268 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 26 ASN QB 1 28 GLY H 5.000 . 6.000 3.287 3.100 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 26 ASN HA 1 29 ILE H 5.000 . 5.000 5.056 5.034 5.073 0.073 12 0 "[ . 1 . 2 . 3]" 1
540 1 26 ASN QB 1 29 ILE HB 5.000 . 6.000 3.941 3.814 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 26 ASN QB 1 29 ILE MD 5.000 . 7.000 2.272 1.910 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 26 ASN QB 1 29 ILE MG 5.000 . 7.000 1.655 1.636 1.710 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 26 ASN QB 1 29 ILE H 4.000 . 5.000 3.487 3.362 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 26 ASN QD 1 29 ILE MD 5.000 . 7.000 3.386 2.362 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 26 ASN H 1 29 ILE MD 5.000 . 6.000 4.238 3.867 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 26 ASN H 1 29 ILE QG 5.000 . 6.000 5.131 5.098 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 26 ASN H 1 29 ILE MG 5.000 . 6.000 4.175 4.085 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 26 ASN QB 1 30 LYS H 5.000 . 6.000 5.298 5.109 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 26 ASN QD 1 37 LYS QD 5.000 . 7.000 3.580 2.518 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 26 ASN QD 1 37 LYS QE 5.000 . 7.000 2.308 1.798 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 26 ASN QD 1 37 LYS QG 5.000 . 7.000 3.598 2.614 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 27 PRO HA 1 28 GLY H 3.000 . 3.000 2.824 2.682 3.143 0.143 27 0 "[ . 1 . 2 . 3]" 1
553 1 27 PRO QB 1 28 GLY H 4.000 . 5.000 3.953 3.672 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 27 PRO QD 1 28 GLY H 5.000 . 6.000 3.811 3.013 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 27 PRO QG 1 28 GLY H 5.000 . 6.000 4.437 3.601 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 27 PRO HA 1 29 ILE H 4.000 . 4.000 3.962 3.675 4.011 0.011 8 0 "[ . 1 . 2 . 3]" 1
557 1 27 PRO QB 1 29 ILE H 5.000 . 6.000 5.296 4.950 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 28 GLY QA 1 29 ILE H 4.000 . 5.000 2.904 2.851 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 28 GLY H 1 29 ILE MD 5.000 . 6.000 4.421 4.183 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 28 GLY H 1 29 ILE MG 5.000 . 6.000 2.576 2.454 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 28 GLY H 1 29 ILE H 3.000 . 3.000 1.766 1.619 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 29 ILE H 1 29 ILE HA 3.000 . 3.000 2.886 2.860 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 29 ILE H 1 29 ILE MD 5.000 . 6.000 3.651 3.498 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 29 ILE H 1 29 ILE QG 4.000 . 5.000 2.235 2.166 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 29 ILE H 1 29 ILE MG 3.000 . 4.000 2.101 2.022 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 29 ILE HA 1 30 LYS HA 5.000 . 5.000 4.626 4.586 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 29 ILE HA 1 30 LYS QG 4.000 . 5.000 4.160 3.749 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 29 ILE HA 1 30 LYS H 3.000 . 3.000 2.942 2.893 3.015 0.015 2 0 "[ . 1 . 2 . 3]" 1
569 1 29 ILE HB 1 30 LYS QG 5.000 . 6.000 4.024 3.466 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 29 ILE HB 1 30 LYS H 3.000 . 3.000 1.881 1.828 2.023 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 29 ILE MD 1 30 LYS H 5.000 . 6.000 3.094 2.993 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 29 ILE QG 1 30 LYS QB 5.000 . 7.000 4.097 3.935 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 29 ILE QG 1 30 LYS H 4.000 . 5.000 1.825 1.704 1.918 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 29 ILE MG 1 30 LYS QB 5.000 . 7.000 5.194 5.075 5.253 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 29 ILE MG 1 30 LYS H 5.000 . 6.000 3.498 3.462 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 29 ILE H 1 30 LYS H 4.000 . 4.000 4.147 4.099 4.169 0.169 11 0 "[ . 1 . 2 . 3]" 1
577 1 29 ILE QG 1 32 THR H 5.000 . 6.000 5.112 5.079 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 29 ILE HA 1 33 GLU QB 5.000 . 6.000 3.640 3.436 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 29 ILE HB 1 33 GLU QB 5.000 . 6.000 1.919 1.804 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 29 ILE HB 1 33 GLU H 5.000 . 5.000 4.057 3.856 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 29 ILE MD 1 33 GLU QB 5.000 . 7.000 2.751 2.497 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 29 ILE MD 1 33 GLU QG 5.000 . 7.000 1.928 1.811 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 29 ILE MD 1 33 GLU H 5.000 . 6.000 3.939 3.792 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 29 ILE QG 1 33 GLU QB 5.000 . 7.000 2.805 2.603 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 29 ILE QG 1 33 GLU H 4.000 . 5.000 3.886 3.780 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 29 ILE MG 1 33 GLU QB 5.000 . 7.000 3.311 3.226 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 29 ILE H 1 33 GLU QB 5.000 . 6.000 5.141 5.064 5.235 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 29 ILE MD 1 34 ILE HA 5.000 . 6.000 2.518 2.338 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 29 ILE MD 1 34 ILE QG 5.000 . 7.000 1.730 1.601 2.072 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 29 ILE MD 1 34 ILE H 5.000 . 6.000 2.772 2.427 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 29 ILE QG 1 34 ILE H 4.000 . 5.000 3.562 3.336 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 29 ILE MG 1 34 ILE HA 5.000 . 6.000 4.789 4.577 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 29 ILE MG 1 34 ILE QG 5.000 . 7.000 4.104 4.017 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 29 ILE MD 1 37 LYS QB 5.000 . 7.000 4.048 3.376 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 29 ILE MD 1 37 LYS QD 5.000 . 7.000 4.492 3.458 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 29 ILE MD 1 37 LYS QE 5.000 . 7.000 3.702 1.906 5.047 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 29 ILE MD 1 37 LYS QG 5.000 . 7.000 3.633 2.845 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 29 ILE MD 1 37 LYS H 5.000 . 6.000 4.889 4.774 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 30 LYS HA 1 30 LYS QE 5.000 . 6.000 4.087 1.973 5.413 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 30 LYS H 1 30 LYS QE 5.000 . 6.000 4.666 4.001 5.260 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 30 LYS HA 1 31 VAL MG1 5.000 . 6.000 3.231 3.191 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 30 LYS HA 1 31 VAL MG2 5.000 . 6.000 5.135 5.081 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 30 LYS HA 1 31 VAL H 3.000 . 3.000 2.173 2.117 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 30 LYS QB 1 31 VAL H 4.000 . 5.000 2.733 2.597 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 30 LYS QG 1 31 VAL H 5.000 . 6.000 3.575 3.261 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 30 LYS H 1 31 VAL MG1 5.000 . 6.000 5.012 4.995 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 30 LYS H 1 31 VAL H 5.000 . 5.000 4.215 4.194 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 30 LYS HA 1 32 THR H 5.000 . 5.000 4.076 3.983 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 30 LYS QB 1 32 THR H 4.000 . 5.000 2.945 2.304 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 30 LYS QG 1 32 THR MG 4.000 . 6.000 3.396 2.275 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 30 LYS QG 1 32 THR H 5.000 . 6.000 2.626 1.893 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 30 LYS H 1 32 THR H 5.000 . 5.000 4.395 4.221 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 30 LYS QB 1 33 GLU QG 5.000 . 7.000 5.279 4.520 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 30 LYS QB 1 33 GLU H 4.000 . 5.000 3.659 2.855 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 30 LYS QG 1 33 GLU QB 5.000 . 7.000 3.001 2.071 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 30 LYS H 1 33 GLU QB 4.000 . 5.000 1.849 1.763 1.983 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 30 LYS H 1 33 GLU QG 4.000 . 5.000 3.201 3.093 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 30 LYS H 1 33 GLU H 5.000 . 5.000 3.014 2.889 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 30 LYS QB 1 34 ILE H 5.000 . 6.000 5.227 4.469 5.458 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 30 LYS H 1 34 ILE QG 4.000 . 5.000 3.484 3.028 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 31 VAL H 1 31 VAL HA 3.000 . 3.000 2.645 2.625 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 31 VAL H 1 31 VAL HB 3.000 . 3.000 3.068 3.030 3.149 0.149 17 0 "[ . 1 . 2 . 3]" 1
623 1 31 VAL H 1 31 VAL MG2 4.000 . 5.000 3.464 3.346 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 31 VAL HA 1 32 THR H 4.000 . 4.000 3.489 3.467 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 31 VAL HB 1 32 THR H 4.000 . 4.000 4.135 4.112 4.177 0.177 29 0 "[ . 1 . 2 . 3]" 1
626 1 31 VAL MG1 1 32 THR HA 5.000 . 6.000 4.632 4.563 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 31 VAL MG1 1 32 THR MG 5.000 . 7.000 3.152 2.684 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 31 VAL MG1 1 32 THR H 4.000 . 5.000 2.558 2.434 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 31 VAL MG2 1 32 THR HA 5.000 . 6.000 2.896 2.856 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 31 VAL MG2 1 32 THR MG 5.000 . 7.000 2.290 1.915 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 31 VAL H 1 32 THR MG 5.000 . 6.000 4.411 3.951 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 31 VAL H 1 32 THR H 4.000 . 4.000 2.968 2.886 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 31 VAL HA 1 33 GLU H 5.000 . 5.000 4.339 4.249 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 31 VAL MG1 1 33 GLU H 5.000 . 6.000 4.510 4.363 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 31 VAL H 1 33 GLU H 5.000 . 5.000 4.302 4.235 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 31 VAL HA 1 34 ILE HB 5.000 . 5.000 3.532 2.986 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 31 VAL HA 1 34 ILE MD 4.000 . 5.000 1.813 1.748 1.977 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 31 VAL HA 1 34 ILE QG 5.000 . 6.000 3.211 2.061 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 31 VAL HA 1 34 ILE MG 5.000 . 6.000 4.473 4.061 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 31 VAL HA 1 34 ILE H 5.000 . 5.000 3.853 3.641 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 31 VAL HB 1 34 ILE MD 5.000 . 6.000 3.434 3.324 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 31 VAL MG1 1 34 ILE MD 5.000 . 7.000 3.726 3.303 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 31 VAL MG2 1 34 ILE MD 5.000 . 7.000 3.772 3.555 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 31 VAL MG2 1 34 ILE H 5.000 . 6.000 4.797 4.528 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 31 VAL H 1 34 ILE MD 5.000 . 6.000 3.243 2.768 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 31 VAL HA 1 35 ALA H 5.000 . 5.000 4.734 4.195 5.024 0.024 27 0 "[ . 1 . 2 . 3]" 1
647 1 31 VAL MG2 1 35 ALA H 5.000 . 6.000 4.613 4.273 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 32 THR H 1 32 THR MG 4.000 . 5.000 2.331 1.923 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 32 THR HA 1 33 GLU HA 5.000 . 5.000 4.687 4.621 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 32 THR HA 1 33 GLU H 5.000 . 5.000 3.477 3.439 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 32 THR MG 1 33 GLU H 5.000 . 6.000 3.777 2.358 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 32 THR H 1 34 ILE MD 5.000 . 6.000 4.262 4.106 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 32 THR HA 1 35 ALA MB 5.000 . 6.000 2.947 2.558 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 32 THR MG 1 35 ALA MB 5.000 . 7.000 4.433 3.864 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 33 GLU HA 1 34 ILE H 5.000 . 5.000 3.454 3.359 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 33 GLU QB 1 34 ILE H 5.000 . 6.000 2.904 2.741 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 33 GLU QG 1 34 ILE H 4.000 . 5.000 3.448 3.328 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 33 GLU H 1 34 ILE HA 5.000 . 5.000 4.935 4.768 5.012 0.012 12 0 "[ . 1 . 2 . 3]" 1
659 1 33 GLU H 1 34 ILE HB 5.000 . 5.000 4.710 4.537 5.025 0.025 2 0 "[ . 1 . 2 . 3]" 1
660 1 33 GLU H 1 34 ILE MD 5.000 . 6.000 4.198 3.942 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 33 GLU H 1 35 ALA H 5.000 . 5.000 4.015 3.795 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 33 GLU HA 1 36 LYS QB 5.000 . 6.000 2.706 2.146 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 33 GLU HA 1 36 LYS QD 5.000 . 6.000 4.221 1.999 5.307 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 33 GLU HA 1 36 LYS H 5.000 . 5.000 3.200 3.005 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 33 GLU QB 1 36 LYS H 5.000 . 6.000 4.842 4.695 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 33 GLU HA 1 37 LYS H 4.000 . 4.000 3.359 2.846 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 33 GLU QB 1 37 LYS H 5.000 . 6.000 4.676 4.368 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 33 GLU QG 1 37 LYS HA 5.000 . 6.000 4.901 4.586 5.283 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 33 GLU QG 1 37 LYS H 5.000 . 6.000 3.337 3.200 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 33 GLU QG 1 38 GLY H 5.000 . 6.000 5.093 4.681 5.232 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 34 ILE H 1 34 ILE HB 3.000 . 3.000 2.680 2.597 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 34 ILE H 1 34 ILE MD 4.000 . 5.000 3.159 2.924 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 34 ILE HA 1 35 ALA H 4.000 . 4.000 3.511 3.485 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 34 ILE HB 1 35 ALA MB 5.000 . 6.000 3.617 3.527 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 34 ILE HB 1 35 ALA H 5.000 . 5.000 2.444 2.288 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 34 ILE MG 1 35 ALA HA 5.000 . 6.000 3.705 3.530 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 34 ILE MG 1 35 ALA MB 5.000 . 7.000 4.130 3.939 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 34 ILE MG 1 35 ALA H 4.000 . 5.000 3.581 3.451 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 34 ILE H 1 35 ALA HA 5.000 . 5.000 5.159 5.094 5.209 0.209 7 0 "[ . 1 . 2 . 3]" 1
680 1 34 ILE H 1 35 ALA H 4.000 . 4.000 2.559 2.450 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 34 ILE HA 1 36 LYS H 5.000 . 5.000 4.176 4.082 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 34 ILE MG 1 36 LYS H 5.000 . 6.000 4.984 4.930 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 34 ILE HA 1 37 LYS QB 5.000 . 6.000 3.940 3.206 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 34 ILE HA 1 37 LYS H 4.000 . 4.000 3.986 3.824 4.073 0.073 28 0 "[ . 1 . 2 . 3]" 1
685 1 34 ILE HA 1 38 GLY H 5.000 . 5.000 3.975 3.459 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 34 ILE MG 1 38 GLY H 5.000 . 6.000 4.515 3.981 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 35 ALA H 1 35 ALA HA 3.000 . 3.000 2.816 2.788 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 35 ALA H 1 35 ALA MB 3.000 . 3.600 2.169 2.082 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 35 ALA MB 1 36 LYS H 4.000 . 5.000 2.947 2.869 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 35 ALA H 1 36 LYS H 5.000 . 5.000 2.593 2.427 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 35 ALA MB 1 37 LYS H 5.000 . 6.000 4.971 4.892 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 35 ALA HA 1 38 GLY H 4.000 . 4.000 4.021 3.950 4.118 0.118 27 0 "[ . 1 . 2 . 3]" 1
693 1 36 LYS H 1 36 LYS HA 3.000 . 3.000 2.911 2.897 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 36 LYS H 1 36 LYS QB 3.000 . 3.600 2.333 2.175 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 36 LYS H 1 36 LYS QD 4.000 . 5.000 4.082 2.419 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 36 LYS HA 1 37 LYS H 4.000 . 4.000 3.586 3.560 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 36 LYS QB 1 37 LYS H 3.000 . 4.000 2.470 2.228 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 36 LYS H 1 37 LYS HA 5.000 . 5.000 5.056 5.009 5.106 0.106 14 0 "[ . 1 . 2 . 3]" 1
699 1 36 LYS H 1 37 LYS H 3.000 . 3.000 2.461 2.382 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 36 LYS H 1 38 GLY H 5.000 . 5.000 3.532 3.316 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 36 LYS HA 1 39 GLY H 5.000 . 5.000 3.611 3.436 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 37 LYS H 1 37 LYS HA 3.000 . 3.000 2.820 2.774 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 37 LYS H 1 37 LYS QD 4.000 . 5.000 4.181 2.736 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 37 LYS H 1 37 LYS QE 5.000 . 6.000 5.021 2.335 5.402 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 37 LYS HA 1 38 GLY H 4.000 . 4.000 3.394 3.271 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 37 LYS QB 1 38 GLY H 5.000 . 6.000 3.385 2.261 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 37 LYS QD 1 38 GLY H 5.000 . 6.000 3.774 2.504 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 37 LYS QG 1 38 GLY H 4.000 . 5.000 3.256 2.122 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 37 LYS H 1 38 GLY QA 4.000 . 5.000 4.436 4.343 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 37 LYS H 1 38 GLY H 4.000 . 4.000 2.616 2.505 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 37 LYS HA 1 39 GLY H 5.000 . 5.000 4.396 3.931 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 37 LYS QB 1 39 GLY H 5.000 . 6.000 5.219 4.413 5.460 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 37 LYS QG 1 39 GLY H 5.000 . 6.000 5.096 4.691 5.503 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 37 LYS H 1 39 GLY H 5.000 . 5.000 4.354 4.058 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 37 LYS HA 1 40 GLU QB 5.000 . 6.000 3.509 2.705 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 37 LYS HA 1 40 GLU H 4.000 . 4.000 3.531 3.059 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 37 LYS QD 1 40 GLU H 5.000 . 6.000 5.212 4.104 5.418 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 37 LYS H 1 40 GLU QG 5.000 . 6.000 4.683 4.477 5.024 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 37 LYS QD 1 41 MET H 5.000 . 6.000 4.590 3.400 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 38 GLY QA 1 39 GLY H 4.000 . 5.000 2.654 2.603 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 38 GLY H 1 39 GLY QA 5.000 . 6.000 4.297 4.045 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 38 GLY H 1 39 GLY H 4.000 . 4.000 2.422 2.110 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 38 GLY H 1 40 GLU H 5.000 . 5.000 3.974 3.697 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 38 GLY QA 1 41 MET ME 5.000 . 7.000 1.870 1.715 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 38 GLY QA 1 41 MET H 5.000 . 6.000 3.428 3.278 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 38 GLY QA 1 42 TRP H 5.000 . 6.000 3.742 3.594 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 39 GLY QA 1 40 GLU H 4.000 . 5.000 2.703 2.638 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 39 GLY H 1 40 GLU QB 5.000 . 6.000 4.952 4.678 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 39 GLY H 1 40 GLU QG 5.000 . 6.000 3.929 3.725 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 39 GLY H 1 40 GLU H 4.000 . 4.000 2.769 2.673 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 39 GLY QA 1 41 MET H 5.000 . 6.000 4.091 4.004 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 39 GLY H 1 41 MET H 5.000 . 5.000 4.355 4.269 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 39 GLY QA 1 42 TRP HD1 5.000 . 6.000 2.630 2.369 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 39 GLY QA 1 42 TRP H 5.000 . 6.000 3.201 3.125 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 39 GLY H 1 42 TRP QB 5.000 . 6.000 4.001 3.864 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 39 GLY H 1 42 TRP H 5.000 . 5.000 4.488 4.382 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 40 GLU H 1 40 GLU QG 4.000 . 5.000 2.095 1.920 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 40 GLU QB 1 41 MET QB 5.000 . 7.000 4.464 4.394 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 40 GLU QB 1 41 MET H 4.000 . 5.000 3.267 3.222 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 40 GLU H 1 41 MET H 4.000 . 4.000 2.778 2.671 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 40 GLU QB 1 42 TRP H 5.000 . 6.000 5.003 4.933 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 40 GLU H 1 42 TRP H 5.000 . 5.000 3.958 3.833 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 40 GLU HA 1 43 LYS QB 5.000 . 6.000 3.335 3.179 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 40 GLU HA 1 43 LYS QD 5.000 . 6.000 4.350 2.987 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 40 GLU HA 1 43 LYS QE 5.000 . 6.000 4.749 2.552 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 40 GLU HA 1 43 LYS H 4.000 . 4.000 4.037 3.965 4.082 0.082 13 0 "[ . 1 . 2 . 3]" 1
747 1 41 MET HA 1 41 MET ME 5.000 . 6.000 5.013 4.944 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 41 MET HA 1 42 TRP H 4.000 . 4.000 3.500 3.481 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 41 MET QB 1 42 TRP H 5.000 . 6.000 3.401 3.351 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 41 MET ME 1 42 TRP H 5.000 . 6.000 4.134 3.877 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 41 MET QG 1 42 TRP HA 5.000 . 6.000 2.885 2.746 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 41 MET QG 1 42 TRP HD1 5.000 . 6.000 5.592 5.540 5.670 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 41 MET H 1 42 TRP HA 5.000 . 5.000 5.043 5.012 5.108 0.108 27 0 "[ . 1 . 2 . 3]" 1
754 1 41 MET H 1 42 TRP QB 5.000 . 6.000 3.982 3.902 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 41 MET H 1 42 TRP H 4.000 . 4.000 2.435 2.395 2.525 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 41 MET H 1 43 LYS QB 5.000 . 6.000 5.096 4.976 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 41 MET H 1 43 LYS H 5.000 . 5.000 4.358 4.249 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 42 TRP HA 1 42 TRP HD1 5.000 . 5.000 4.547 4.395 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 42 TRP HA 1 42 TRP HE3 5.000 . 5.000 2.977 2.800 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 42 TRP H 1 42 TRP HD1 5.000 . 5.000 4.245 4.072 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 42 TRP H 1 42 TRP HE3 5.000 . 5.000 5.058 4.991 5.097 0.097 11 0 "[ . 1 . 2 . 3]" 1
762 1 42 TRP HA 1 43 LYS H 4.000 . 4.000 3.579 3.562 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 42 TRP QB 1 43 LYS H 4.000 . 5.000 2.620 2.550 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 42 TRP HD1 1 43 LYS HA 5.000 . 5.000 3.371 2.925 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 42 TRP HD1 1 43 LYS QB 5.000 . 6.000 3.816 3.269 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 42 TRP HD1 1 43 LYS QD 5.000 . 6.000 3.674 1.988 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 42 TRP HD1 1 43 LYS QG 5.000 . 6.000 3.490 2.673 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 42 TRP HE1 1 43 LYS HA 5.000 . 5.000 4.194 3.919 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 42 TRP H 1 43 LYS QB 5.000 . 6.000 4.432 4.338 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 42 TRP H 1 43 LYS H 4.000 . 4.000 2.813 2.723 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 42 TRP HA 1 44 GLU H 5.000 . 5.000 4.009 3.575 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 42 TRP HA 1 45 LEU QB 5.000 . 6.000 2.209 1.897 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 42 TRP HA 1 45 LEU MD1 5.000 . 6.000 2.767 2.004 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 42 TRP HA 1 45 LEU MD2 5.000 . 6.000 2.307 1.926 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 42 TRP HA 1 45 LEU H 4.000 . 4.000 3.736 3.046 4.034 0.034 7 0 "[ . 1 . 2 . 3]" 1
776 1 42 TRP HE3 1 45 LEU MD1 5.000 . 6.000 3.089 2.448 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 42 TRP HE3 1 45 LEU MD2 5.000 . 6.000 2.189 1.773 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 42 TRP HH2 1 45 LEU MD2 5.000 . 6.000 4.273 3.739 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 42 TRP HZ2 1 45 LEU MD2 5.000 . 6.000 5.062 4.910 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 42 TRP HZ3 1 45 LEU MD1 5.000 . 6.000 4.055 3.130 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 42 TRP HZ3 1 45 LEU MD2 5.000 . 6.000 2.782 1.996 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 42 TRP HD1 1 48 LYS QE 5.000 . 6.000 4.571 3.237 5.421 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 42 TRP HE1 1 48 LYS QD 5.000 . 6.000 4.610 3.180 5.329 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 42 TRP HE1 1 48 LYS QE 4.000 . 5.000 3.933 2.556 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 42 TRP HH2 1 48 LYS QE 5.000 . 6.000 4.901 4.574 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 42 TRP HZ2 1 48 LYS QB 5.000 . 6.000 4.232 3.682 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 42 TRP HZ2 1 48 LYS QD 4.000 . 5.000 3.600 2.687 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 42 TRP HZ2 1 48 LYS QE 5.000 . 6.000 4.164 3.522 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 42 TRP HZ2 1 48 LYS QG 5.000 . 6.000 2.505 2.122 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 42 TRP HZ2 1 51 TRP QB 5.000 . 6.000 5.372 4.916 5.455 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 42 TRP HZ3 1 51 TRP QB 5.000 . 6.000 2.518 2.227 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 42 TRP HH2 1 52 GLU HA 5.000 . 5.000 2.715 2.072 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 42 TRP HH2 1 52 GLU QG 5.000 . 6.000 3.710 2.050 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 42 TRP HZ2 1 52 GLU HA 5.000 . 5.000 4.073 3.461 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 42 TRP HZ2 1 52 GLU QG 5.000 . 6.000 4.324 2.795 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 43 LYS H 1 43 LYS HA 3.000 . 3.000 2.719 2.657 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 43 LYS H 1 43 LYS QB 3.000 . 3.600 2.136 2.035 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 43 LYS H 1 43 LYS QD 4.000 . 5.000 3.550 2.242 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 43 LYS H 1 43 LYS QG 4.000 . 5.000 3.281 2.390 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 43 LYS HA 1 44 GLU H 4.000 . 4.000 3.509 3.456 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 43 LYS QB 1 44 GLU QG 5.000 . 7.000 3.279 2.646 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 43 LYS QD 1 44 GLU H 5.000 . 6.000 4.977 4.471 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 43 LYS QG 1 44 GLU H 5.000 . 6.000 4.490 3.985 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 43 LYS H 1 44 GLU QG 5.000 . 6.000 4.656 4.090 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 43 LYS H 1 44 GLU H 4.000 . 4.000 2.933 2.727 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 43 LYS HA 1 45 LEU H 5.000 . 5.000 4.122 3.824 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 43 LYS H 1 45 LEU H 5.000 . 5.000 4.576 3.868 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 44 GLU H 1 44 GLU QB 3.000 . 3.600 2.704 2.317 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 44 GLU H 1 44 GLU QG 4.000 . 5.000 2.560 1.802 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 44 GLU HA 1 45 LEU H 5.000 . 5.000 2.845 2.584 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 44 GLU QB 1 45 LEU H 4.000 . 5.000 3.884 3.426 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 44 GLU QG 1 45 LEU H 5.000 . 6.000 4.275 3.244 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 44 GLU H 1 45 LEU HA 5.000 . 5.000 4.739 4.389 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 44 GLU H 1 45 LEU QB 5.000 . 6.000 3.708 3.500 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 45 LEU H 1 45 LEU MD1 5.000 . 6.000 4.291 1.730 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 45 LEU H 1 45 LEU MD2 5.000 . 6.000 3.103 2.583 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 45 LEU HA 1 46 LYS H 3.000 . 3.000 2.249 2.174 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 45 LEU QB 1 46 LYS H 5.000 . 6.000 3.341 2.694 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 45 LEU MD1 1 46 LYS H 4.000 . 5.000 3.863 2.571 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 45 LEU MD2 1 46 LYS H 5.000 . 6.000 4.009 3.304 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 45 LEU HG 1 46 LYS H 5.000 . 5.000 2.951 2.550 5.031 0.031 20 0 "[ . 1 . 2 . 3]" 1
822 1 45 LEU H 1 46 LYS H 5.000 . 5.000 4.512 4.392 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 45 LEU QB 1 47 ASP H 5.000 . 6.000 3.513 2.682 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 45 LEU MD1 1 47 ASP H 4.000 . 5.000 3.029 1.997 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 45 LEU MD2 1 47 ASP H 5.000 . 6.000 2.635 1.750 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 45 LEU HG 1 47 ASP H 4.000 . 4.000 1.574 1.314 4.122 0.122 20 0 "[ . 1 . 2 . 3]" 1
827 1 45 LEU QB 1 48 LYS H 5.000 . 6.000 4.038 2.486 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 45 LEU MD1 1 48 LYS QE 5.000 . 7.000 5.160 3.056 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 45 LEU MD1 1 48 LYS QG 5.000 . 7.000 4.993 2.652 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 45 LEU MD2 1 48 LYS QE 5.000 . 7.000 3.086 2.600 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 45 LEU MD2 1 48 LYS QG 5.000 . 7.000 3.078 2.403 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 45 LEU MD2 1 48 LYS H 5.000 . 6.000 2.005 1.665 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 45 LEU H 1 48 LYS QE 5.000 . 6.000 3.357 2.783 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 45 LEU H 1 48 LYS QG 5.000 . 6.000 5.147 4.442 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 45 LEU MD2 1 49 SER H 5.000 . 6.000 3.837 3.635 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 45 LEU MD2 1 50 LYS H 5.000 . 6.000 4.882 4.766 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 46 LYS HA 1 46 LYS QD 4.000 . 5.000 3.405 1.982 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 46 LYS H 1 46 LYS QB 3.000 . 3.600 2.466 2.211 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 46 LYS H 1 46 LYS QD 5.000 . 6.000 3.710 1.970 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 46 LYS HA 1 47 ASP H 4.000 . 4.000 3.104 2.944 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 46 LYS QB 1 47 ASP H 4.000 . 5.000 3.590 1.965 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 46 LYS QD 1 47 ASP H 5.000 . 6.000 4.713 2.328 5.402 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 46 LYS QG 1 47 ASP H 5.000 . 6.000 4.220 3.212 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 46 LYS H 1 47 ASP QB 5.000 . 6.000 4.131 3.822 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 46 LYS H 1 47 ASP H 5.000 . 5.000 2.586 2.192 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 46 LYS HA 1 48 LYS H 5.000 . 5.000 3.377 3.017 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 46 LYS QB 1 48 LYS H 5.000 . 6.000 4.695 4.379 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 46 LYS HA 1 49 SER QB 5.000 . 6.000 3.759 3.456 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 46 LYS HA 1 49 SER H 5.000 . 5.000 3.546 3.330 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 46 LYS QB 1 49 SER H 5.000 . 6.000 4.957 4.541 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 46 LYS HA 1 50 LYS H 5.000 . 5.000 5.143 5.084 5.243 0.243 30 0 "[ . 1 . 2 . 3]" 1
852 1 47 ASP H 1 47 ASP HA 3.000 . 3.000 2.913 2.576 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 47 ASP H 1 47 ASP QB 3.000 . 3.600 2.368 2.209 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 47 ASP HA 1 48 LYS H 5.000 . 5.000 3.320 3.051 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 47 ASP QB 1 48 LYS H 5.000 . 6.000 3.241 2.987 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 47 ASP H 1 48 LYS H 5.000 . 5.000 2.035 1.865 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 47 ASP HA 1 49 SER H 4.000 . 4.000 3.816 3.533 4.223 0.223 15 0 "[ . 1 . 2 . 3]" 1
858 1 47 ASP QB 1 49 SER H 5.000 . 6.000 4.818 4.552 5.401 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 47 ASP H 1 49 SER H 5.000 . 5.000 3.917 3.681 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 48 LYS HA 1 49 SER H 4.000 . 4.000 3.473 3.405 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 48 LYS QB 1 49 SER H 5.000 . 6.000 2.936 2.078 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 48 LYS QD 1 49 SER H 4.000 . 5.000 3.564 3.197 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 48 LYS QG 1 49 SER H 5.000 . 6.000 4.075 3.782 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 48 LYS H 1 49 SER HA 5.000 . 5.000 5.024 4.929 5.176 0.176 21 0 "[ . 1 . 2 . 3]" 1
865 1 48 LYS H 1 49 SER QB 5.000 . 6.000 4.289 4.111 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 48 LYS H 1 49 SER H 5.000 . 5.000 2.413 2.308 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 48 LYS HA 1 50 LYS H 5.000 . 5.000 3.940 3.760 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 48 LYS QB 1 52 GLU QG 5.000 . 7.000 4.349 3.080 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 49 SER HA 1 50 LYS H 4.000 . 4.000 3.442 3.405 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 49 SER H 1 50 LYS QB 5.000 . 6.000 4.371 4.006 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 49 SER H 1 50 LYS H 4.000 . 4.000 2.275 2.165 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 49 SER HA 1 51 TRP H 5.000 . 5.000 4.159 3.739 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 49 SER H 1 51 TRP H 5.000 . 5.000 3.582 3.346 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 49 SER HA 1 52 GLU QB 5.000 . 6.000 3.422 2.005 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 49 SER HA 1 52 GLU H 4.000 . 4.000 3.892 3.070 4.051 0.051 22 0 "[ . 1 . 2 . 3]" 1
876 1 49 SER QB 1 52 GLU H 5.000 . 6.000 5.246 4.689 5.400 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 49 SER H 1 52 GLU QB 5.000 . 6.000 4.713 4.267 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 49 SER HA 1 53 ASP H 5.000 . 5.000 4.523 3.704 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 50 LYS H 1 50 LYS HA 3.000 . 3.000 2.925 2.845 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 50 LYS H 1 50 LYS QD 5.000 . 6.000 4.206 3.325 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 50 LYS H 1 50 LYS QG 4.000 . 5.000 3.170 1.888 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 50 LYS HA 1 51 TRP H 5.000 . 5.000 3.420 3.294 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 50 LYS QB 1 51 TRP H 5.000 . 6.000 3.362 2.647 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 50 LYS QG 1 51 TRP H 5.000 . 6.000 3.568 2.306 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 50 LYS H 1 51 TRP H 5.000 . 5.000 2.289 2.161 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 50 LYS H 1 52 GLU QB 5.000 . 6.000 5.043 4.584 5.233 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 50 LYS H 1 52 GLU QG 5.000 . 6.000 4.888 4.339 5.427 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 50 LYS HA 1 53 ASP QB 5.000 . 6.000 3.691 3.033 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 50 LYS HA 1 53 ASP H 5.000 . 5.000 4.180 3.872 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 51 TRP HA 1 52 GLU H 4.000 . 4.000 3.530 3.479 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 51 TRP QB 1 52 GLU H 5.000 . 6.000 2.718 2.589 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 51 TRP H 1 52 GLU H 4.000 . 4.000 2.182 1.964 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 52 GLU H 1 52 GLU QG 4.000 . 5.000 2.770 2.297 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 52 GLU QB 1 53 ASP H 5.000 . 6.000 3.201 2.404 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 52 GLU H 1 53 ASP QB 5.000 . 6.000 4.557 4.335 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 52 GLU H 1 53 ASP H 5.000 . 5.000 2.684 2.550 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 52 GLU H 1 54 ALA MB 5.000 . 6.000 4.788 4.698 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 52 GLU H 1 54 ALA H 5.000 . 5.000 4.124 4.021 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 52 GLU HA 1 55 ALA MB 5.000 . 6.000 2.771 2.332 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 52 GLU HA 1 55 ALA H 4.000 . 4.000 3.363 3.109 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 52 GLU QB 1 55 ALA H 5.000 . 6.000 4.798 4.460 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 52 GLU HA 1 56 ALA H 5.000 . 5.000 4.498 4.020 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 52 GLU QB 1 56 ALA H 5.000 . 6.000 4.821 3.971 5.300 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 52 GLU QG 1 56 ALA H 5.000 . 6.000 5.205 4.724 5.489 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 53 ASP HA 1 54 ALA MB 5.000 . 6.000 4.933 4.906 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 53 ASP HA 1 54 ALA H 5.000 . 5.000 3.468 3.435 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 53 ASP QB 1 54 ALA H 5.000 . 6.000 2.982 2.750 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 53 ASP H 1 54 ALA H 5.000 . 5.000 2.568 2.353 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 53 ASP HA 1 55 ALA H 4.000 . 4.000 4.136 4.040 4.226 0.226 24 0 "[ . 1 . 2 . 3]" 1
910 1 53 ASP QB 1 55 ALA H 5.000 . 6.000 4.843 4.696 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 53 ASP H 1 55 ALA MB 5.000 . 6.000 4.743 4.614 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 53 ASP H 1 55 ALA H 5.000 . 5.000 4.161 4.085 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 53 ASP HA 1 56 ALA MB 4.000 . 5.000 2.778 2.493 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 53 ASP HA 1 56 ALA H 4.000 . 4.000 3.151 3.005 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 53 ASP QB 1 56 ALA H 5.000 . 6.000 4.907 4.680 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 53 ASP H 1 56 ALA H 5.000 . 5.000 4.867 4.634 5.041 0.041 14 0 "[ . 1 . 2 . 3]" 1
917 1 53 ASP HA 1 57 LYS H 5.000 . 5.000 3.714 3.234 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 53 ASP QB 1 57 LYS H 5.000 . 6.000 4.669 4.132 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 54 ALA H 1 55 ALA H 5.000 . 5.000 2.611 2.505 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 54 ALA HA 1 57 LYS QB 4.000 . 5.000 3.155 2.338 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 54 ALA HA 1 57 LYS QD 5.000 . 6.000 2.676 2.087 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 54 ALA HA 1 57 LYS QG 4.000 . 5.000 2.034 1.804 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 54 ALA HA 1 57 LYS H 5.000 . 5.000 3.664 3.336 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 54 ALA MB 1 57 LYS QB 5.000 . 7.000 4.506 3.892 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 54 ALA HA 1 58 ASP H 5.000 . 5.000 3.803 3.427 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 55 ALA H 1 55 ALA HA 3.000 . 3.000 2.787 2.757 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 55 ALA H 1 55 ALA MB 3.000 . 3.600 2.113 2.030 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 55 ALA HA 1 56 ALA H 5.000 . 5.000 3.589 3.568 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 55 ALA H 1 56 ALA H 3.000 . 3.000 2.875 2.780 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 55 ALA H 1 57 LYS QB 5.000 . 6.000 5.044 4.629 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 55 ALA H 1 57 LYS H 5.000 . 5.000 3.903 3.776 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 55 ALA HA 1 58 ASP QB 5.000 . 6.000 2.961 2.616 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 55 ALA HA 1 58 ASP H 5.000 . 5.000 3.560 3.310 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 55 ALA H 1 58 ASP H 5.000 . 5.000 4.483 4.342 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 55 ALA HA 1 59 LYS H 5.000 . 5.000 3.937 3.523 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 56 ALA H 1 56 ALA HA 3.000 . 3.000 2.855 2.832 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 56 ALA H 1 56 ALA MB 3.000 . 3.600 2.173 2.093 2.254 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 56 ALA MB 1 57 LYS HA 5.000 . 6.000 3.881 3.780 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 56 ALA MB 1 57 LYS QB 5.000 . 7.000 3.848 3.732 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 56 ALA MB 1 57 LYS H 4.000 . 5.000 2.839 2.524 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 56 ALA H 1 57 LYS QB 5.000 . 6.000 4.337 4.165 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 56 ALA H 1 57 LYS QG 5.000 . 6.000 4.690 4.221 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 56 ALA H 1 57 LYS H 3.000 . 3.000 2.472 2.371 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 56 ALA HA 1 58 ASP H 5.000 . 5.000 4.419 4.167 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 56 ALA HA 1 59 LYS QB 5.000 . 6.000 2.964 2.397 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 56 ALA HA 1 59 LYS QD 5.000 . 6.000 3.501 1.950 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 56 ALA HA 1 59 LYS QE 5.000 . 6.000 3.251 1.893 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 56 ALA HA 1 59 LYS H 5.000 . 5.000 3.580 3.324 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 56 ALA MB 1 59 LYS QB 5.000 . 7.000 4.378 3.934 5.185 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 56 ALA MB 1 59 LYS QG 5.000 . 7.000 4.215 3.153 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 57 LYS HA 1 57 LYS QD 4.000 . 5.000 4.356 4.134 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 57 LYS HA 1 57 LYS QE 5.000 . 6.000 4.419 3.851 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 57 LYS H 1 57 LYS QB 3.000 . 3.600 2.288 2.147 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 57 LYS H 1 57 LYS QE 5.000 . 6.000 4.040 3.418 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 57 LYS QB 1 58 ASP H 5.000 . 6.000 3.382 3.189 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 57 LYS QE 1 58 ASP H 5.000 . 6.000 4.526 4.002 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 57 LYS QG 1 58 ASP H 5.000 . 6.000 2.334 2.123 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 57 LYS H 1 58 ASP QB 4.000 . 5.000 4.253 4.093 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 57 LYS H 1 58 ASP H 3.000 . 3.000 2.420 2.302 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 57 LYS H 1 59 LYS H 4.000 . 4.000 3.824 3.541 4.010 0.010 26 0 "[ . 1 . 2 . 3]" 1
961 1 57 LYS HA 1 60 GLN QB 5.000 . 6.000 2.991 2.588 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 57 LYS HA 1 60 GLN QG 5.000 . 6.000 3.686 3.016 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 57 LYS QG 1 60 GLN H 5.000 . 6.000 5.060 4.650 5.419 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 57 LYS H 1 60 GLN QB 5.000 . 6.000 4.866 4.309 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 57 LYS H 1 60 GLN H 5.000 . 5.000 4.733 4.395 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 57 LYS QD 1 61 ARG HE 5.000 . 6.000 5.094 4.624 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 57 LYS QG 1 61 ARG H 5.000 . 6.000 4.546 4.240 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 58 ASP H 1 58 ASP QB 3.000 . 3.600 2.259 2.166 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 58 ASP QB 1 59 LYS H 5.000 . 6.000 2.782 2.713 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 58 ASP H 1 59 LYS HA 5.000 . 5.000 5.076 5.009 5.141 0.141 15 0 "[ . 1 . 2 . 3]" 1
971 1 58 ASP H 1 59 LYS H 5.000 . 5.000 2.459 2.358 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 58 ASP QB 1 60 GLN H 5.000 . 6.000 4.676 4.446 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 58 ASP H 1 60 GLN QB 5.000 . 6.000 4.891 4.575 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 58 ASP H 1 60 GLN H 5.000 . 5.000 3.967 3.839 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 58 ASP HA 1 61 ARG HA 5.000 . 5.000 5.073 5.025 5.143 0.143 23 0 "[ . 1 . 2 . 3]" 1
976 1 58 ASP HA 1 61 ARG QB 5.000 . 6.000 2.344 2.215 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 58 ASP HA 1 61 ARG QD 5.000 . 6.000 4.138 3.880 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 58 ASP HA 1 61 ARG QG 5.000 . 6.000 3.754 3.257 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 58 ASP QB 1 61 ARG HE 5.000 . 6.000 3.757 3.225 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 58 ASP QB 1 61 ARG H 5.000 . 6.000 4.769 4.658 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 58 ASP H 1 61 ARG QB 5.000 . 6.000 4.534 4.353 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 58 ASP QB 1 62 TYR H 5.000 . 6.000 4.930 4.346 5.248 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 59 LYS HA 1 59 LYS QE 5.000 . 6.000 5.031 3.907 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 59 LYS H 1 59 LYS HA 3.000 . 3.000 2.823 2.794 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 59 LYS QB 1 59 LYS QE 4.000 . 6.000 2.930 2.136 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 59 LYS H 1 59 LYS QB 3.000 . 3.600 2.170 2.062 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 59 LYS H 1 59 LYS QD 5.000 . 6.000 3.825 2.679 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 59 LYS H 1 59 LYS QE 5.000 . 6.000 4.817 3.721 5.397 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 59 LYS H 1 59 LYS QG 4.000 . 5.000 3.407 2.631 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 59 LYS HA 1 60 GLN H 5.000 . 5.000 3.445 3.385 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 59 LYS QB 1 60 GLN HA 5.000 . 6.000 4.614 4.435 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 59 LYS QB 1 60 GLN QB 5.000 . 7.000 4.381 3.986 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 59 LYS QB 1 60 GLN H 3.000 . 4.000 3.151 2.623 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 59 LYS QG 1 60 GLN H 5.000 . 6.000 2.732 1.841 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 59 LYS H 1 60 GLN QB 5.000 . 6.000 4.167 4.034 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 59 LYS H 1 60 GLN QG 5.000 . 6.000 5.451 5.398 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 59 LYS H 1 60 GLN H 3.000 . 3.000 2.509 2.402 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 59 LYS HA 1 62 TYR QB 5.000 . 6.000 2.845 2.404 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 59 LYS HA 1 62 TYR QD 5.000 . 7.400 4.080 1.532 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 59 LYS HA 1 62 TYR H 5.000 . 5.000 3.649 3.206 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 59 LYS HA 1 63 HIS H 4.000 . 4.000 3.837 3.616 4.060 0.060 26 0 "[ . 1 . 2 . 3]" 1
1002 1 59 LYS QD 1 63 HIS HE1 5.000 . 6.000 4.736 4.034 5.405 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 59 LYS QD 1 63 HIS H 5.000 . 6.000 5.095 3.841 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 59 LYS QG 1 63 HIS HE1 5.000 . 6.000 5.103 5.010 5.205 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 59 LYS QG 1 63 HIS H 5.000 . 6.000 4.769 4.124 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 60 GLN HA 1 60 GLN QE 4.000 . 5.000 2.952 2.453 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 60 GLN H 1 60 GLN HA 3.000 . 3.000 2.835 2.794 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 60 GLN H 1 60 GLN QG 4.000 . 5.000 3.476 3.307 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 60 GLN HA 1 61 ARG H 5.000 . 5.000 3.520 3.446 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 60 GLN QB 1 61 ARG QB 5.000 . 7.000 4.236 3.839 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 60 GLN QB 1 61 ARG H 4.000 . 5.000 2.961 2.610 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 60 GLN QE 1 61 ARG HA 5.000 . 6.000 4.903 3.404 5.432 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 60 GLN QG 1 61 ARG QB 5.000 . 7.000 3.963 3.196 5.675 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 60 GLN H 1 61 ARG HA 5.000 . 5.000 5.063 4.986 5.101 0.101 21 0 "[ . 1 . 2 . 3]" 1
1015 1 60 GLN H 1 61 ARG H 3.000 . 3.000 2.458 2.323 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 60 GLN QB 1 62 TYR H 5.000 . 6.000 4.635 4.347 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 60 GLN H 1 62 TYR QB 5.000 . 6.000 4.706 4.419 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 60 GLN H 1 62 TYR H 5.000 . 5.000 3.703 3.459 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 60 GLN HA 1 63 HIS QB 4.000 . 5.000 3.761 3.617 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 60 GLN QB 1 63 HIS H 5.000 . 6.000 5.222 5.096 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 60 GLN QE 1 63 HIS QB 5.000 . 7.000 5.428 5.374 5.533 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 60 GLN QG 1 63 HIS H 5.000 . 6.000 5.262 5.185 5.328 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 60 GLN H 1 63 HIS QB 5.000 . 6.000 5.230 5.138 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 60 GLN H 1 63 HIS H 5.000 . 5.000 4.650 4.439 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 60 GLN QE 1 64 ASP HA 5.000 . 6.000 4.892 4.040 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 60 GLN QE 1 64 ASP H 5.000 . 6.000 4.979 3.942 5.282 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 60 GLN QG 1 64 ASP H 5.000 . 6.000 4.723 4.394 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 61 ARG HA 1 61 ARG HE 5.000 . 5.000 4.900 4.706 5.038 0.038 28 0 "[ . 1 . 2 . 3]" 1
1029 1 61 ARG QB 1 61 ARG HE 4.000 . 5.000 2.256 1.965 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 61 ARG H 1 61 ARG QD 5.000 . 6.000 4.728 4.475 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 61 ARG H 1 61 ARG HE 5.000 . 5.000 4.242 3.979 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 61 ARG HA 1 62 TYR H 5.000 . 5.000 3.396 3.362 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 61 ARG QB 1 62 TYR H 5.000 . 6.000 3.194 3.061 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 61 ARG QD 1 62 TYR HA 5.000 . 6.000 5.209 4.834 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 61 ARG QD 1 62 TYR H 5.000 . 6.000 5.250 4.848 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 61 ARG HE 1 62 TYR HA 5.000 . 5.000 4.965 4.531 5.031 0.031 29 0 "[ . 1 . 2 . 3]" 1
1037 1 61 ARG HE 1 62 TYR QB 5.000 . 6.000 4.761 3.886 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 61 ARG HE 1 62 TYR QD 5.000 . 7.400 4.023 2.334 6.804 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 61 ARG HE 1 62 TYR H 5.000 . 5.000 4.453 4.065 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 61 ARG QG 1 62 TYR H 5.000 . 6.000 3.435 2.848 3.719 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 61 ARG H 1 62 TYR QB 5.000 . 6.000 4.204 3.913 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 61 ARG H 1 62 TYR H 5.000 . 5.000 2.440 2.162 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 61 ARG QB 1 63 HIS H 5.000 . 6.000 5.202 5.055 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 61 ARG HA 1 64 ASP QB 5.000 . 6.000 2.131 1.852 2.571 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 61 ARG HA 1 64 ASP H 4.000 . 4.000 3.459 3.265 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 61 ARG QG 1 64 ASP H 4.000 . 5.000 4.695 4.605 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 61 ARG H 1 64 ASP QB 4.000 . 5.000 4.215 4.046 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 61 ARG H 1 64 ASP H 5.000 . 5.000 4.508 4.291 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 61 ARG HA 1 65 GLU H 5.000 . 5.000 4.935 4.213 5.107 0.107 5 0 "[ . 1 . 2 . 3]" 1
1050 1 61 ARG QD 1 65 GLU QG 5.000 . 7.000 4.857 4.074 5.458 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 61 ARG QG 1 65 GLU H 5.000 . 6.000 5.049 4.503 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 61 ARG QG 1 66 MET H 5.000 . 6.000 5.234 4.786 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 62 TYR H 1 62 TYR QB 3.000 . 3.600 2.211 2.144 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 62 TYR H 1 62 TYR QD 4.000 . 6.400 3.208 2.575 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 62 TYR H 1 62 TYR QE 5.000 . 7.400 5.394 4.835 6.279 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 62 TYR QB 1 63 HIS H 4.000 . 5.000 2.632 2.311 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 62 TYR QD 1 63 HIS HA 5.000 . 7.400 4.840 2.786 5.846 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 62 TYR QD 1 63 HIS H 4.000 . 6.400 3.838 2.082 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 62 TYR QE 1 63 HIS H 5.000 . 7.400 5.777 3.731 6.632 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 62 TYR H 1 63 HIS QB 5.000 . 6.000 4.235 4.067 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 62 TYR H 1 63 HIS HE1 5.000 . 5.000 5.172 5.131 5.208 0.208 17 0 "[ . 1 . 2 . 3]" 1
1062 1 62 TYR QB 1 64 ASP H 5.000 . 6.000 4.282 4.071 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 62 TYR QD 1 64 ASP H 5.000 . 7.400 5.088 4.483 5.596 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 62 TYR H 1 64 ASP QB 5.000 . 6.000 3.994 3.705 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 62 TYR H 1 64 ASP H 5.000 . 5.000 3.246 3.086 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 62 TYR HA 1 65 GLU QB 5.000 . 6.000 4.709 3.283 5.492 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 62 TYR QB 1 65 GLU H 5.000 . 6.000 4.870 4.430 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 62 TYR HA 1 66 MET ME 5.000 . 6.000 4.031 3.114 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 62 TYR QB 1 66 MET ME 5.000 . 7.000 4.587 3.432 5.188 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 62 TYR QB 1 66 MET H 5.000 . 6.000 4.347 3.812 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 62 TYR QD 1 66 MET HA 5.000 . 7.400 5.611 4.327 6.709 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 62 TYR QD 1 66 MET H 5.000 . 7.400 4.657 3.961 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 62 TYR QE 1 66 MET QB 5.000 . 8.400 4.355 2.474 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 62 TYR QE 1 66 MET H 5.000 . 7.400 6.028 5.089 6.890 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 63 HIS H 1 63 HIS HA 3.000 . 3.000 2.817 2.785 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 63 HIS H 1 63 HIS QB 3.000 . 3.600 2.183 2.084 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 63 HIS H 1 63 HIS HD2 5.000 . 5.000 5.114 5.046 5.146 0.146 29 0 "[ . 1 . 2 . 3]" 1
1078 1 63 HIS H 1 63 HIS HE1 5.000 . 5.000 4.675 4.591 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 63 HIS QB 1 64 ASP H 4.000 . 5.000 3.574 3.402 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 63 HIS HE1 1 64 ASP HA 5.000 . 5.000 4.071 3.805 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 63 HIS HE1 1 64 ASP H 5.000 . 5.000 3.813 3.515 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 63 HIS H 1 64 ASP QB 5.000 . 6.000 4.139 3.961 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 63 HIS H 1 64 ASP H 4.000 . 4.000 2.433 2.272 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 63 HIS QB 1 65 GLU H 5.000 . 6.000 4.807 4.577 5.088 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 63 HIS HA 1 66 MET QB 5.000 . 6.000 3.934 2.507 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 63 HIS QB 1 66 MET H 5.000 . 6.000 5.333 5.057 5.548 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 63 HIS H 1 66 MET QB 5.000 . 6.000 4.819 4.156 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 63 HIS QB 1 67 ARG H 5.000 . 6.000 4.213 3.588 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 63 HIS HD2 1 67 ARG QD 5.000 . 6.000 3.423 2.181 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 63 HIS H 1 67 ARG QD 4.000 . 5.000 4.468 4.043 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 64 ASP HA 1 65 GLU H 4.000 . 4.000 3.414 3.344 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 64 ASP QB 1 65 GLU H 5.000 . 6.000 3.237 2.997 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 64 ASP H 1 65 GLU HA 5.000 . 5.000 5.148 4.968 5.296 0.296 6 0 "[ . 1 . 2 . 3]" 1
1094 1 64 ASP H 1 65 GLU QB 5.000 . 6.000 4.920 4.579 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 64 ASP H 1 65 GLU QG 5.000 . 6.000 3.869 3.345 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 64 ASP QB 1 66 MET H 5.000 . 6.000 4.634 4.381 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 64 ASP HA 1 67 ARG QB 5.000 . 6.000 4.809 3.799 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 64 ASP HA 1 67 ARG QD 5.000 . 6.000 3.220 1.855 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 64 ASP HA 1 67 ARG HE 5.000 . 5.000 4.742 2.833 5.126 0.126 18 0 "[ . 1 . 2 . 3]" 1
1100 1 64 ASP HA 1 67 ARG QG 5.000 . 6.000 4.591 3.721 5.432 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 64 ASP QB 1 67 ARG H 5.000 . 6.000 5.490 5.408 5.708 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 64 ASP H 1 67 ARG QD 5.000 . 6.000 3.893 3.308 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 64 ASP H 1 67 ARG QG 5.000 . 6.000 5.136 4.395 5.559 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 64 ASP H 1 67 ARG H 5.000 . 5.000 4.362 4.136 5.058 0.058 23 0 "[ . 1 . 2 . 3]" 1
1105 1 65 GLU H 1 65 GLU HA 3.000 . 3.000 2.883 2.821 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 65 GLU H 1 65 GLU QB 3.000 . 3.600 3.112 2.737 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 65 GLU HA 1 66 MET H 5.000 . 5.000 3.527 3.474 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 65 GLU QG 1 66 MET H 5.000 . 6.000 2.485 1.882 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 65 GLU H 1 66 MET QG 3.000 . 4.000 3.468 3.104 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 65 GLU H 1 66 MET H 3.000 . 3.000 1.839 1.677 1.974 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 65 GLU QG 1 67 ARG H 5.000 . 6.000 4.529 4.058 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 65 GLU H 1 67 ARG QD 4.000 . 5.000 3.823 2.100 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 65 GLU H 1 67 ARG H 5.000 . 5.000 2.863 2.477 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 65 GLU HA 1 68 ASN QD 5.000 . 6.000 4.658 1.835 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 65 GLU H 1 68 ASN H 5.000 . 5.000 4.666 3.414 5.432 0.432 29 0 "[ . 1 . 2 . 3]" 1
1116 1 66 MET HA 1 66 MET ME 5.000 . 6.000 3.741 1.752 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 66 MET H 1 66 MET HA 3.000 . 3.000 2.858 2.717 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 66 MET H 1 66 MET QB 3.000 . 3.600 2.582 2.210 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 66 MET ME 1 66 MET QG 3.000 . 5.000 2.230 1.982 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 66 MET H 1 66 MET QG 3.000 . 4.000 2.099 1.670 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 66 MET HA 1 67 ARG HA 5.000 . 5.000 4.813 4.335 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 66 MET HA 1 67 ARG H 4.000 . 4.000 3.336 3.010 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 66 MET QG 1 67 ARG H 5.000 . 6.000 3.861 1.632 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 66 MET H 1 67 ARG QD 5.000 . 6.000 4.683 2.891 5.426 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 66 MET H 1 67 ARG H 3.000 . 3.000 2.522 2.281 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 66 MET HA 1 68 ASN H 5.000 . 5.000 4.001 3.181 5.008 0.008 2 0 "[ . 1 . 2 . 3]" 1
1127 1 66 MET H 1 68 ASN H 5.000 . 5.000 4.442 3.577 5.065 0.065 21 0 "[ . 1 . 2 . 3]" 1
1128 1 66 MET HA 1 69 TYR QB 5.000 . 6.000 2.634 1.813 5.363 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 66 MET HA 1 69 TYR QD 4.000 . 6.400 3.340 1.952 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 66 MET HA 1 69 TYR H 4.000 . 4.000 3.370 2.601 4.087 0.087 23 0 "[ . 1 . 2 . 3]" 1
1131 1 66 MET QB 1 69 TYR H 5.000 . 6.000 4.396 3.323 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 66 MET ME 1 69 TYR QB 5.000 . 7.000 4.286 2.428 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 66 MET ME 1 69 TYR QD 4.000 . 7.400 4.464 1.924 5.618 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 67 ARG H 1 67 ARG HA 3.000 . 3.000 2.783 2.682 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 67 ARG H 1 67 ARG QB 3.000 . 3.600 2.486 2.074 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 67 ARG H 1 67 ARG QD 5.000 . 6.000 3.127 1.587 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 67 ARG HA 1 68 ASN H 4.000 . 4.000 3.449 2.866 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 67 ARG QB 1 68 ASN QD 5.000 . 7.000 3.858 2.171 5.620 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 67 ARG QB 1 68 ASN H 4.000 . 5.000 2.985 2.183 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 67 ARG QD 1 68 ASN QD 5.000 . 7.000 3.768 1.975 5.145 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 67 ARG QD 1 68 ASN H 5.000 . 6.000 3.900 2.479 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 67 ARG QG 1 68 ASN QD 5.000 . 7.000 2.804 1.837 5.541 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 67 ARG QG 1 68 ASN H 5.000 . 6.000 2.517 1.674 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 67 ARG H 1 68 ASN QB 5.000 . 6.000 4.821 3.082 5.545 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 67 ARG H 1 68 ASN H 5.000 . 5.000 2.716 1.881 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 68 ASN HA 1 68 ASN QD 4.000 . 5.000 3.436 1.968 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 68 ASN H 1 68 ASN QD 5.000 . 6.000 2.626 1.871 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 68 ASN QB 1 69 TYR H 4.000 . 5.000 3.317 1.941 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 68 ASN QD 1 69 TYR H 5.000 . 6.000 4.049 1.893 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 68 ASN H 1 69 TYR HA 5.000 . 5.000 4.763 4.291 5.410 0.410 8 0 "[ . 1 . 2 . 3]" 1
1151 1 68 ASN H 1 69 TYR QB 5.000 . 6.000 4.289 3.661 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 69 TYR HA 1 69 TYR QD 4.000 . 6.000 2.952 1.942 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 69 TYR HA 1 69 TYR QE 5.000 . 7.000 4.784 4.132 5.666 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 69 TYR H 1 69 TYR QD 4.000 . 6.400 2.967 1.925 4.207 . 0 0 "[ . 1 . 2 . 3]" 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 18
_Distance_constraint_stats_list.Viol_count 59
_Distance_constraint_stats_list.Viol_total 62.640
_Distance_constraint_stats_list.Viol_max 0.209
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0354
_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 13 LEU 1.383 0.209 22 0 "[ . 1 . 2 . 3]"
1 14 TRP 0.192 0.093 22 0 "[ . 1 . 2 . 3]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 LYS 0.114 0.039 22 0 "[ . 1 . 2 . 3]"
1 51 TRP 1.690 0.209 22 0 "[ . 1 . 2 . 3]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 TYR 0.398 0.190 28 0 "[ . 1 . 2 . 3]"
1 66 MET 0.272 0.190 28 0 "[ . 1 . 2 . 3]"
1 68 ASN 0.126 0.041 8 0 "[ . 1 . 2 . 3]"
1 69 TYR 0.398 0.190 28 0 "[ . 1 . 2 . 3]"
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 50 LYS H 1 51 TRP HD1 5.000 . 5.000 4.481 3.689 5.039 0.039 22 0 "[ . 1 . 2 . 3]" 2
2 1 51 TRP H 1 51 TRP HD1 5.000 . 5.000 3.480 2.736 3.919 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 51 TRP HD1 1 52 GLU H 5.000 . 5.000 4.606 4.410 4.822 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 62 TYR QD 1 68 ASN H 5.000 . 5.000 4.378 2.967 5.041 0.041 8 0 "[ . 1 . 2 . 3]" 2
5 1 14 TRP HE1 1 51 TRP HD1 5.000 . 5.000 4.614 3.682 5.093 0.093 22 0 "[ . 1 . 2 . 3]" 2
6 1 13 LEU HA 1 51 TRP HD1 5.000 . 5.000 5.043 4.911 5.209 0.209 22 0 "[ . 1 . 2 . 3]" 2
7 1 13 LEU QB 1 51 TRP HD1 5.000 . 5.000 4.192 3.387 4.748 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 13 LEU HG 1 51 TRP HD1 5.000 . 5.000 3.291 1.904 4.463 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 13 LEU MD1 1 51 TRP HD1 5.000 . 5.000 3.731 2.827 4.287 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 13 LEU MD2 1 51 TRP HD1 5.000 . 5.000 1.985 1.691 2.903 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 45 LEU MD2 1 51 TRP HD1 5.000 . 5.000 3.758 2.180 4.744 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 51 TRP HD1 1 54 ALA MB 5.000 . 5.000 3.123 1.992 4.334 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 50 LYS HD3 1 51 TRP HD1 5.000 . 5.000 3.951 2.654 5.003 0.003 14 0 "[ . 1 . 2 . 3]" 2
14 1 50 LYS HD2 1 51 TRP HD1 5.000 . 5.000 4.121 1.998 5.024 0.024 8 0 "[ . 1 . 2 . 3]" 2
15 1 50 LYS QE 1 51 TRP HD1 5.000 . 5.000 4.019 2.623 4.965 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 17 ASP QB 1 51 TRP HD1 5.000 . 5.000 2.237 1.620 3.243 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 14 TRP HD1 1 22 ILE MD 5.000 . 5.000 3.054 2.807 3.261 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 62 TYR HE1 1 66 MET ME 5.000 . 5.000 4.068 2.374 5.190 0.190 28 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 518
_Distance_constraint_stats_list.Viol_total 1328.895
_Distance_constraint_stats_list.Viol_max 0.344
_Distance_constraint_stats_list.Viol_rms 0.0718
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0434
_Distance_constraint_stats_list.Viol_average_violations_only 0.0855
_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 16 ASN 16.179 0.344 24 0 "[ . 1 . 2 . 3]"
1 18 THR 5.059 0.202 14 0 "[ . 1 . 2 . 3]"
1 19 ARG 0.050 0.050 22 0 "[ . 1 . 2 . 3]"
1 20 GLU 18.211 0.344 24 0 "[ . 1 . 2 . 3]"
1 22 ILE 5.059 0.202 14 0 "[ . 1 . 2 . 3]"
1 23 LYS 0.050 0.050 22 0 "[ . 1 . 2 . 3]"
1 24 ARG 2.033 0.164 22 0 "[ . 1 . 2 . 3]"
1 32 THR 2.675 0.148 14 0 "[ . 1 . 2 . 3]"
1 33 GLU 2.375 0.112 14 0 "[ . 1 . 2 . 3]"
1 34 ILE 1.081 0.071 7 0 "[ . 1 . 2 . 3]"
1 36 LYS 6.628 0.151 25 0 "[ . 1 . 2 . 3]"
1 37 LYS 2.375 0.112 14 0 "[ . 1 . 2 . 3]"
1 38 GLY 1.081 0.071 7 0 "[ . 1 . 2 . 3]"
1 39 GLY 0.879 0.050 26 0 "[ . 1 . 2 . 3]"
1 40 GLU 3.953 0.151 25 0 "[ . 1 . 2 . 3]"
1 43 LYS 0.879 0.050 26 0 "[ . 1 . 2 . 3]"
1 51 TRP 2.465 0.123 15 0 "[ . 1 . 2 . 3]"
1 52 GLU 0.668 0.062 28 0 "[ . 1 . 2 . 3]"
1 53 ASP 2.715 0.137 20 0 "[ . 1 . 2 . 3]"
1 55 ALA 2.710 0.123 15 0 "[ . 1 . 2 . 3]"
1 56 ALA 0.668 0.062 28 0 "[ . 1 . 2 . 3]"
1 57 LYS 3.300 0.137 20 0 "[ . 1 . 2 . 3]"
1 58 ASP 2.575 0.123 20 0 "[ . 1 . 2 . 3]"
1 59 LYS 0.407 0.092 23 0 "[ . 1 . 2 . 3]"
1 60 GLN 0.599 0.083 12 0 "[ . 1 . 2 . 3]"
1 61 ARG 0.584 0.072 16 0 "[ . 1 . 2 . 3]"
1 62 TYR 2.575 0.123 20 0 "[ . 1 . 2 . 3]"
1 63 HIS 0.162 0.067 12 0 "[ . 1 . 2 . 3]"
1 64 ASP 0.599 0.083 12 0 "[ . 1 . 2 . 3]"
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 16 ASN O 1 20 GLU H 2.400 . 2.400 2.715 2.691 2.744 0.344 24 0 "[ . 1 . 2 . 3]" 3
2 1 16 ASN O 1 20 GLU N 3.400 2.800 3.400 3.624 3.607 3.654 0.254 17 0 "[ . 1 . 2 . 3]" 3
3 1 18 THR O 1 22 ILE H 2.400 . 2.400 1.962 1.781 2.100 0.019 22 0 "[ . 1 . 2 . 3]" 3
4 1 18 THR O 1 22 ILE N 3.400 2.800 3.400 2.632 2.598 2.686 0.202 14 0 "[ . 1 . 2 . 3]" 3
5 1 19 ARG O 1 23 LYS H 2.400 . 2.400 2.225 1.974 2.450 0.050 22 0 "[ . 1 . 2 . 3]" 3
6 1 19 ARG O 1 23 LYS N 3.400 2.800 3.400 3.159 2.935 3.362 . 0 0 "[ . 1 . 2 . 3]" 3
7 1 20 GLU O 1 24 ARG H 2.400 . 2.400 2.466 2.369 2.564 0.164 22 0 "[ . 1 . 2 . 3]" 3
8 1 20 GLU O 1 24 ARG N 3.400 2.800 3.400 3.342 3.266 3.428 0.028 11 0 "[ . 1 . 2 . 3]" 3
9 1 32 THR O 1 36 LYS H 2.400 . 2.400 2.489 2.450 2.548 0.148 14 0 "[ . 1 . 2 . 3]" 3
10 1 32 THR O 1 36 LYS N 3.400 2.800 3.400 3.226 3.145 3.326 . 0 0 "[ . 1 . 2 . 3]" 3
11 1 33 GLU O 1 37 LYS H 2.400 . 2.400 1.805 1.766 1.912 0.034 16 0 "[ . 1 . 2 . 3]" 3
12 1 33 GLU O 1 37 LYS N 3.400 2.800 3.400 2.734 2.688 2.788 0.112 14 0 "[ . 1 . 2 . 3]" 3
13 1 34 ILE O 1 38 GLY H 2.400 . 2.400 2.419 2.214 2.471 0.071 7 0 "[ . 1 . 2 . 3]" 3
14 1 34 ILE O 1 38 GLY N 3.400 2.800 3.400 3.061 2.947 3.197 . 0 0 "[ . 1 . 2 . 3]" 3
15 1 36 LYS O 1 40 GLU H 2.400 . 2.400 2.498 2.468 2.551 0.151 25 0 "[ . 1 . 2 . 3]" 3
16 1 36 LYS O 1 40 GLU N 3.400 2.800 3.400 3.434 3.409 3.463 0.063 22 0 "[ . 1 . 2 . 3]" 3
17 1 39 GLY O 1 43 LYS H 2.400 . 2.400 1.799 1.786 1.817 0.014 3 0 "[ . 1 . 2 . 3]" 3
18 1 39 GLY O 1 43 LYS N 3.400 2.800 3.400 2.775 2.750 2.797 0.050 26 0 "[ . 1 . 2 . 3]" 3
19 1 51 TRP O 1 55 ALA H 2.400 . 2.400 2.479 2.416 2.523 0.123 15 0 "[ . 1 . 2 . 3]" 3
20 1 51 TRP O 1 55 ALA N 3.400 2.800 3.400 3.382 3.322 3.436 0.036 15 0 "[ . 1 . 2 . 3]" 3
21 1 52 GLU O 1 56 ALA H 2.400 . 2.400 2.207 1.771 2.450 0.050 21 0 "[ . 1 . 2 . 3]" 3
22 1 52 GLU O 1 56 ALA N 3.400 2.800 3.400 3.155 2.738 3.392 0.062 28 0 "[ . 1 . 2 . 3]" 3
23 1 53 ASP O 1 57 LYS H 2.400 . 2.400 1.907 1.793 2.143 0.007 20 0 "[ . 1 . 2 . 3]" 3
24 1 53 ASP O 1 57 LYS N 3.400 2.800 3.400 2.710 2.663 2.762 0.137 20 0 "[ . 1 . 2 . 3]" 3
25 1 55 ALA O 1 59 LYS H 2.400 . 2.400 2.016 1.840 2.312 . 0 0 "[ . 1 . 2 . 3]" 3
26 1 55 ALA O 1 59 LYS N 3.400 2.800 3.400 2.899 2.708 3.118 0.092 23 0 "[ . 1 . 2 . 3]" 3
27 1 57 LYS O 1 61 ARG H 2.400 . 2.400 2.074 1.772 2.459 0.059 22 0 "[ . 1 . 2 . 3]" 3
28 1 57 LYS O 1 61 ARG N 3.400 2.800 3.400 2.898 2.728 3.154 0.072 16 0 "[ . 1 . 2 . 3]" 3
29 1 58 ASP O 1 62 TYR H 2.400 . 2.400 2.014 1.825 2.146 . 0 0 "[ . 1 . 2 . 3]" 3
30 1 58 ASP O 1 62 TYR N 3.400 2.800 3.400 2.714 2.677 2.756 0.123 20 0 "[ . 1 . 2 . 3]" 3
31 1 59 LYS O 1 63 HIS H 2.400 . 2.400 2.207 1.935 2.467 0.067 12 0 "[ . 1 . 2 . 3]" 3
32 1 59 LYS O 1 63 HIS N 3.400 2.800 3.400 3.123 2.890 3.340 . 0 0 "[ . 1 . 2 . 3]" 3
33 1 60 GLN O 1 64 ASP H 2.400 . 2.400 2.320 2.112 2.476 0.076 7 0 "[ . 1 . 2 . 3]" 3
34 1 60 GLN O 1 64 ASP N 3.400 2.800 3.400 2.950 2.717 3.182 0.083 12 0 "[ . 1 . 2 . 3]" 3
stop_
save_
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