NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430851 |
2jp1   |
15215 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jp1
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 1242
_Distance_constraint_stats_list.Viol_count 1900
_Distance_constraint_stats_list.Viol_total 2643.295
_Distance_constraint_stats_list.Viol_max 0.426
_Distance_constraint_stats_list.Viol_rms 0.0239
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0696
_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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 1.647 0.195 17 0 "[ . 1 . 2]"
1 9 ARG 5.015 0.225 19 0 "[ . 1 . 2]"
1 10 THR 1.850 0.225 19 0 "[ . 1 . 2]"
1 11 CYS 3.837 0.256 5 0 "[ . 1 . 2]"
1 12 VAL 2.928 0.128 15 0 "[ . 1 . 2]"
1 13 SER 1.030 0.173 1 0 "[ . 1 . 2]"
1 14 LEU 2.841 0.192 3 0 "[ . 1 . 2]"
1 15 THR 0.382 0.173 1 0 "[ . 1 . 2]"
1 16 THR 2.725 0.192 3 0 "[ . 1 . 2]"
1 17 GLN 0.913 0.240 3 0 "[ . 1 . 2]"
1 18 ARG 3.649 0.240 3 0 "[ . 1 . 2]"
1 19 LEU 1.103 0.153 6 0 "[ . 1 . 2]"
1 20 PRO 1.614 0.140 18 0 "[ . 1 . 2]"
1 21 VAL 1.747 0.140 18 0 "[ . 1 . 2]"
1 23 ARG 1.107 0.157 9 0 "[ . 1 . 2]"
1 24 ILE 0.992 0.161 15 0 "[ . 1 . 2]"
1 25 LYS 2.183 0.175 7 0 "[ . 1 . 2]"
1 26 THR 3.363 0.143 12 0 "[ . 1 . 2]"
1 27 TYR 3.954 0.152 19 0 "[ . 1 . 2]"
1 28 THR 4.975 0.208 4 0 "[ . 1 . 2]"
1 29 ILE 4.406 0.155 18 0 "[ . 1 . 2]"
1 30 THR 1.154 0.103 20 0 "[ . 1 . 2]"
1 31 GLU 2.569 0.119 1 0 "[ . 1 . 2]"
1 32 GLY 0.123 0.079 8 0 "[ . 1 . 2]"
1 33 SER 0.197 0.073 5 0 "[ . 1 . 2]"
1 34 LEU 6.519 0.238 18 0 "[ . 1 . 2]"
1 35 ARG 3.518 0.299 4 0 "[ . 1 . 2]"
1 36 ALA 0.445 0.068 15 0 "[ . 1 . 2]"
1 37 VAL 3.771 0.143 12 0 "[ . 1 . 2]"
1 38 ILE 9.563 0.208 4 0 "[ . 1 . 2]"
1 39 PHE 1.271 0.080 15 0 "[ . 1 . 2]"
1 40 ILE 9.998 0.232 11 0 "[ . 1 . 2]"
1 41 THR 0.356 0.068 11 0 "[ . 1 . 2]"
1 42 LYS 2.879 0.317 15 0 "[ . 1 . 2]"
1 43 ARG 0.178 0.080 19 0 "[ . 1 . 2]"
1 44 GLY 3.138 0.317 15 0 "[ . 1 . 2]"
1 45 LEU 6.383 0.302 20 0 "[ . 1 . 2]"
1 46 LYS 3.385 0.146 10 0 "[ . 1 . 2]"
1 47 VAL 1.670 0.119 19 0 "[ . 1 . 2]"
1 48 CYS 1.189 0.101 4 0 "[ . 1 . 2]"
1 49 ALA 3.833 0.128 15 0 "[ . 1 . 2]"
1 50 ASP 1.783 0.186 3 0 "[ . 1 . 2]"
1 51 PRO 1.286 0.194 14 0 "[ . 1 . 2]"
1 52 GLN 5.308 0.299 4 0 "[ . 1 . 2]"
1 53 ALA 0.409 0.166 6 0 "[ . 1 . 2]"
1 54 THR 0.255 0.110 10 0 "[ . 1 . 2]"
1 55 TRP 0.958 0.227 5 0 "[ . 1 . 2]"
1 56 VAL 0.196 0.079 8 0 "[ . 1 . 2]"
1 57 ARG 0.279 0.172 15 0 "[ . 1 . 2]"
1 58 ASP 0.076 0.047 8 0 "[ . 1 . 2]"
1 59 VAL 0.574 0.172 15 0 "[ . 1 . 2]"
1 60 VAL 0.225 0.062 16 0 "[ . 1 . 2]"
2 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 LYS 2.382 0.426 3 0 "[ . 1 . 2]"
2 9 ARG 5.257 0.426 3 0 "[ . 1 . 2]"
2 10 THR 1.677 0.153 3 0 "[ . 1 . 2]"
2 11 CYS 4.278 0.302 20 0 "[ . 1 . 2]"
2 12 VAL 2.780 0.134 11 0 "[ . 1 . 2]"
2 13 SER 0.749 0.195 13 0 "[ . 1 . 2]"
2 14 LEU 2.708 0.160 3 0 "[ . 1 . 2]"
2 15 THR 0.322 0.195 13 0 "[ . 1 . 2]"
2 16 THR 2.576 0.160 3 0 "[ . 1 . 2]"
2 17 GLN 1.527 0.278 8 0 "[ . 1 . 2]"
2 18 ARG 4.841 0.278 8 0 "[ . 1 . 2]"
2 19 LEU 1.757 0.194 14 0 "[ . 1 . 2]"
2 20 PRO 1.536 0.109 14 0 "[ . 1 . 2]"
2 21 VAL 1.532 0.109 14 0 "[ . 1 . 2]"
2 23 ARG 1.216 0.154 1 0 "[ . 1 . 2]"
2 24 ILE 0.712 0.074 16 0 "[ . 1 . 2]"
2 25 LYS 2.222 0.185 16 0 "[ . 1 . 2]"
2 26 THR 3.521 0.165 3 0 "[ . 1 . 2]"
2 27 TYR 4.637 0.205 20 0 "[ . 1 . 2]"
2 28 THR 5.817 0.205 20 0 "[ . 1 . 2]"
2 29 ILE 4.524 0.139 17 0 "[ . 1 . 2]"
2 30 THR 1.199 0.111 3 0 "[ . 1 . 2]"
2 31 GLU 2.497 0.122 1 0 "[ . 1 . 2]"
2 32 GLY 0.079 0.075 7 0 "[ . 1 . 2]"
2 33 SER 0.300 0.054 3 0 "[ . 1 . 2]"
2 34 LEU 6.742 0.232 11 0 "[ . 1 . 2]"
2 35 ARG 3.590 0.231 13 0 "[ . 1 . 2]"
2 36 ALA 0.381 0.064 7 0 "[ . 1 . 2]"
2 37 VAL 3.910 0.165 3 0 "[ . 1 . 2]"
2 38 ILE 9.048 0.193 16 0 "[ . 1 . 2]"
2 39 PHE 1.284 0.077 2 0 "[ . 1 . 2]"
2 40 ILE 10.220 0.422 3 0 "[ . 1 . 2]"
2 41 THR 0.722 0.422 3 0 "[ . 1 . 2]"
2 42 LYS 2.491 0.249 16 0 "[ . 1 . 2]"
2 43 ARG 0.003 0.003 4 0 "[ . 1 . 2]"
2 44 GLY 2.413 0.249 16 0 "[ . 1 . 2]"
2 45 LEU 5.947 0.256 5 0 "[ . 1 . 2]"
2 46 LYS 2.993 0.125 2 0 "[ . 1 . 2]"
2 47 VAL 1.677 0.125 2 0 "[ . 1 . 2]"
2 48 CYS 1.751 0.131 20 0 "[ . 1 . 2]"
2 49 ALA 3.766 0.163 11 0 "[ . 1 . 2]"
2 50 ASP 1.767 0.169 3 0 "[ . 1 . 2]"
2 51 PRO 0.910 0.153 6 0 "[ . 1 . 2]"
2 52 GLN 4.627 0.231 13 0 "[ . 1 . 2]"
2 53 ALA 0.437 0.130 12 0 "[ . 1 . 2]"
2 54 THR 0.275 0.111 11 0 "[ . 1 . 2]"
2 55 TRP 1.314 0.175 5 0 "[ . 1 . 2]"
2 56 VAL 0.300 0.054 3 0 "[ . 1 . 2]"
2 57 ARG 0.075 0.039 3 0 "[ . 1 . 2]"
2 58 ASP 0.025 0.024 18 0 "[ . 1 . 2]"
2 59 VAL 0.590 0.090 14 0 "[ . 1 . 2]"
2 60 VAL 0.272 0.064 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 VAL HA 1 5 VAL QG . . 3.030 2.247 2.127 2.380 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER QB 1 7 ASP H . . 5.500 3.195 2.139 3.939 . 0 0 "[ . 1 . 2]" 1
3 1 8 LYS H 1 8 LYS QG . . 4.360 3.200 2.061 4.275 . 0 0 "[ . 1 . 2]" 1
4 1 8 LYS HA 1 8 LYS QE . . 5.500 4.481 2.504 5.479 . 0 0 "[ . 1 . 2]" 1
5 1 8 LYS HA 1 9 ARG QG . . 3.730 3.751 2.906 3.925 0.195 17 0 "[ . 1 . 2]" 1
6 1 8 LYS QB 1 8 LYS QD . . 2.550 2.181 2.083 2.376 . 0 0 "[ . 1 . 2]" 1
7 1 8 LYS QB 1 8 LYS QE . . 3.820 3.068 1.993 3.650 . 0 0 "[ . 1 . 2]" 1
8 1 8 LYS QB 1 9 ARG HA . . 5.340 4.457 4.061 5.194 . 0 0 "[ . 1 . 2]" 1
9 1 8 LYS HB2 1 8 LYS QD . . 3.050 2.508 2.130 3.012 . 0 0 "[ . 1 . 2]" 1
10 1 8 LYS HB3 1 8 LYS QD . . 3.050 2.500 2.302 3.243 0.193 2 0 "[ . 1 . 2]" 1
11 1 9 ARG HA 1 9 ARG QD . . 4.100 4.064 3.696 4.277 0.177 8 0 "[ . 1 . 2]" 1
12 1 9 ARG HA 1 9 ARG QG . . 4.000 2.857 2.355 3.513 . 0 0 "[ . 1 . 2]" 1
13 1 9 ARG HA 1 49 ALA H . . 5.200 4.504 3.849 5.023 . 0 0 "[ . 1 . 2]" 1
14 1 9 ARG HA 1 50 ASP H . . 5.500 5.293 4.475 5.598 0.098 20 0 "[ . 1 . 2]" 1
15 1 9 ARG HA 1 50 ASP HA . . 5.280 3.305 2.579 4.279 . 0 0 "[ . 1 . 2]" 1
16 1 9 ARG QB 1 10 THR H . . 4.420 3.340 3.108 3.552 . 0 0 "[ . 1 . 2]" 1
17 1 9 ARG QB 1 10 THR MG . . 5.090 4.961 4.666 5.315 0.225 19 0 "[ . 1 . 2]" 1
18 1 9 ARG QB 1 48 CYS HA . . 5.500 5.078 4.211 5.507 0.007 20 0 "[ . 1 . 2]" 1
19 1 9 ARG QB 1 49 ALA H . . 5.280 3.807 3.468 4.173 . 0 0 "[ . 1 . 2]" 1
20 1 9 ARG QB 1 50 ASP H . . 4.770 4.643 3.942 4.956 0.186 3 0 "[ . 1 . 2]" 1
21 1 9 ARG QB 1 50 ASP HA . . 5.500 2.827 1.961 3.546 . 0 0 "[ . 1 . 2]" 1
22 1 9 ARG QG 1 10 THR H . . 4.780 4.377 4.172 4.727 . 0 0 "[ . 1 . 2]" 1
23 1 9 ARG QG 1 49 ALA H . . 5.390 5.310 4.765 5.489 0.099 15 0 "[ . 1 . 2]" 1
24 1 9 ARG QG 1 50 ASP HA . . 5.500 2.984 1.898 4.974 . 0 0 "[ . 1 . 2]" 1
25 1 10 THR H 1 49 ALA H . . 4.950 3.585 3.205 3.987 . 0 0 "[ . 1 . 2]" 1
26 1 10 THR H 1 49 ALA HA . . 5.500 5.301 4.927 5.553 0.053 17 0 "[ . 1 . 2]" 1
27 1 10 THR H 2 14 LEU QB . . 4.460 4.428 4.013 4.553 0.093 18 0 "[ . 1 . 2]" 1
28 1 10 THR HB 1 11 CYS H . . 5.220 3.346 2.740 4.141 . 0 0 "[ . 1 . 2]" 1
29 1 10 THR HB 1 49 ALA H . . 5.170 4.983 4.477 5.255 0.085 8 0 "[ . 1 . 2]" 1
30 1 11 CYS CB 1 48 CYS SG . . 3.100 3.033 2.999 3.125 0.025 8 0 "[ . 1 . 2]" 1
31 1 11 CYS H 1 12 VAL H . . 5.410 4.339 4.241 4.392 . 0 0 "[ . 1 . 2]" 1
32 1 11 CYS H 1 47 VAL QG . . 5.440 5.342 4.995 5.497 0.057 10 0 "[ . 1 . 2]" 1
33 1 11 CYS H 1 49 ALA H . . 5.500 4.753 4.561 4.897 . 0 0 "[ . 1 . 2]" 1
34 1 11 CYS H 1 49 ALA MB . . 5.500 5.351 4.954 5.542 0.042 17 0 "[ . 1 . 2]" 1
35 1 11 CYS HA 1 47 VAL H . . 5.500 4.527 4.354 4.838 . 0 0 "[ . 1 . 2]" 1
36 1 11 CYS HA 1 47 VAL QG . . 5.100 3.185 2.866 3.341 . 0 0 "[ . 1 . 2]" 1
37 1 11 CYS HA 1 48 CYS H . . 5.390 4.614 4.507 4.746 . 0 0 "[ . 1 . 2]" 1
38 1 11 CYS HA 1 48 CYS HA . . 4.350 2.149 1.983 2.289 . 0 0 "[ . 1 . 2]" 1
39 1 11 CYS HA 1 48 CYS QB . . 5.500 4.112 3.941 4.298 . 0 0 "[ . 1 . 2]" 1
40 1 11 CYS HA 1 49 ALA H . . 4.260 3.234 3.002 3.329 . 0 0 "[ . 1 . 2]" 1
41 1 11 CYS HA 2 45 LEU QD . . 4.440 4.610 4.523 4.696 0.256 5 0 "[ . 1 . 2]" 1
42 1 11 CYS QB 1 12 VAL H . . 3.980 2.724 2.491 2.937 . 0 0 "[ . 1 . 2]" 1
43 1 11 CYS QB 1 49 ALA H . . 4.780 4.482 3.609 4.706 . 0 0 "[ . 1 . 2]" 1
44 1 11 CYS HB2 1 12 VAL H . . 4.610 3.804 3.647 3.865 . 0 0 "[ . 1 . 2]" 1
45 1 11 CYS HB2 1 46 LYS QG . . 5.060 4.672 4.226 5.121 0.061 1 0 "[ . 1 . 2]" 1
46 1 11 CYS HB2 1 48 CYS HA . . 5.500 4.162 3.412 4.316 . 0 0 "[ . 1 . 2]" 1
47 1 11 CYS HB2 1 49 ALA H . . 5.500 5.299 4.469 5.502 0.002 3 0 "[ . 1 . 2]" 1
48 1 11 CYS HB3 1 12 VAL H . . 4.610 2.792 2.535 3.051 . 0 0 "[ . 1 . 2]" 1
49 1 11 CYS HB3 1 46 LYS QG . . 5.060 3.416 2.962 4.222 . 0 0 "[ . 1 . 2]" 1
50 1 11 CYS HB3 1 48 CYS HA . . 5.500 3.128 1.975 3.385 . 0 0 "[ . 1 . 2]" 1
51 1 11 CYS HB3 1 49 ALA H . . 5.500 4.840 3.785 5.112 . 0 0 "[ . 1 . 2]" 1
52 1 11 CYS SG 1 48 CYS CB . . 3.100 2.995 2.977 3.074 . 0 0 "[ . 1 . 2]" 1
53 1 11 CYS SG 1 48 CYS SG . . 2.100 2.031 2.022 2.039 . 0 0 "[ . 1 . 2]" 1
54 1 12 VAL H 1 12 VAL QG . . 3.980 2.900 2.262 3.077 . 0 0 "[ . 1 . 2]" 1
55 1 12 VAL H 1 13 SER H . . 5.160 4.358 4.274 4.419 . 0 0 "[ . 1 . 2]" 1
56 1 12 VAL H 1 46 LYS HA . . 5.250 4.477 4.326 4.643 . 0 0 "[ . 1 . 2]" 1
57 1 12 VAL H 1 46 LYS QD . . 4.860 4.391 3.078 4.944 0.084 7 0 "[ . 1 . 2]" 1
58 1 12 VAL H 1 46 LYS QE . . 5.270 3.791 3.335 4.577 . 0 0 "[ . 1 . 2]" 1
59 1 12 VAL H 1 46 LYS QG . . 4.980 3.661 3.025 4.915 . 0 0 "[ . 1 . 2]" 1
60 1 12 VAL H 1 47 VAL HB . . 5.080 4.844 4.673 5.026 . 0 0 "[ . 1 . 2]" 1
61 1 12 VAL H 1 48 CYS HA . . 4.490 3.690 3.399 3.797 . 0 0 "[ . 1 . 2]" 1
62 1 12 VAL H 1 49 ALA H . . 5.190 5.261 5.180 5.318 0.128 15 0 "[ . 1 . 2]" 1
63 1 12 VAL HA 1 13 SER QB . . 4.490 4.343 3.953 4.525 0.035 1 0 "[ . 1 . 2]" 1
64 1 12 VAL HA 1 46 LYS QD . . 4.890 4.700 3.719 5.000 0.110 18 0 "[ . 1 . 2]" 1
65 1 12 VAL HB 1 13 SER H . . 4.540 3.940 2.761 4.164 . 0 0 "[ . 1 . 2]" 1
66 1 12 VAL QG 1 13 SER H . . 4.250 2.380 2.127 3.312 . 0 0 "[ . 1 . 2]" 1
67 1 12 VAL QG 1 13 SER QB . . 4.370 4.140 3.808 4.454 0.084 10 0 "[ . 1 . 2]" 1
68 1 13 SER H 1 14 LEU H . . 4.620 4.350 4.250 4.441 . 0 0 "[ . 1 . 2]" 1
69 1 13 SER H 1 46 LYS HA . . 4.960 4.617 4.421 4.790 . 0 0 "[ . 1 . 2]" 1
70 1 13 SER H 1 46 LYS QG . . 5.500 4.426 3.575 5.646 0.146 10 0 "[ . 1 . 2]" 1
71 1 13 SER QB 1 14 LEU H . . 4.280 3.193 2.897 3.712 . 0 0 "[ . 1 . 2]" 1
72 1 13 SER QB 1 15 THR MG . . 4.990 4.272 3.304 5.163 0.173 1 0 "[ . 1 . 2]" 1
73 1 13 SER QB 1 45 LEU H . . 5.500 4.888 4.366 5.513 0.013 14 0 "[ . 1 . 2]" 1
74 1 13 SER QB 1 46 LYS QB . . 5.130 2.727 2.077 3.800 . 0 0 "[ . 1 . 2]" 1
75 1 13 SER QB 1 46 LYS QD . . 4.480 2.344 1.801 4.194 . 0 0 "[ . 1 . 2]" 1
76 1 13 SER QB 1 46 LYS QE . . 5.500 3.731 3.165 5.037 . 0 0 "[ . 1 . 2]" 1
77 1 13 SER QB 1 47 VAL H . . 5.260 4.623 4.293 5.298 0.038 18 0 "[ . 1 . 2]" 1
78 1 14 LEU H 1 14 LEU QD . . 4.600 2.664 1.925 3.554 . 0 0 "[ . 1 . 2]" 1
79 1 14 LEU H 1 14 LEU HG . . 4.490 3.538 2.213 4.441 . 0 0 "[ . 1 . 2]" 1
80 1 14 LEU H 1 45 LEU H . . 4.880 3.119 2.787 3.449 . 0 0 "[ . 1 . 2]" 1
81 1 14 LEU H 1 45 LEU QB . . 5.500 3.444 3.056 3.934 . 0 0 "[ . 1 . 2]" 1
82 1 14 LEU H 1 46 LYS H . . 4.970 4.724 4.592 4.950 . 0 0 "[ . 1 . 2]" 1
83 1 14 LEU H 1 46 LYS HA . . 3.740 3.229 2.901 3.698 . 0 0 "[ . 1 . 2]" 1
84 1 14 LEU QB 1 45 LEU H . . 4.630 3.394 2.634 4.686 0.056 18 0 "[ . 1 . 2]" 1
85 1 14 LEU QB 2 10 THR H . . 4.460 4.421 4.054 4.606 0.146 10 0 "[ . 1 . 2]" 1
86 1 14 LEU QD 1 16 THR H . . 5.440 5.271 3.476 5.632 0.192 3 0 "[ . 1 . 2]" 1
87 1 14 LEU QD 1 46 LYS HA . . 5.130 3.829 2.865 5.154 0.024 11 0 "[ . 1 . 2]" 1
88 1 15 THR HB 1 16 THR H . . 4.910 3.723 3.493 4.223 . 0 0 "[ . 1 . 2]" 1
89 1 15 THR MG 1 16 THR H . . 4.940 3.862 2.861 4.218 . 0 0 "[ . 1 . 2]" 1
90 1 16 THR H 1 44 GLY HA2 . . 5.500 3.873 2.890 4.963 . 0 0 "[ . 1 . 2]" 1
91 1 16 THR H 1 44 GLY QA . . 4.810 3.143 2.564 3.922 . 0 0 "[ . 1 . 2]" 1
92 1 16 THR H 1 44 GLY HA3 . . 5.500 3.478 2.667 5.057 . 0 0 "[ . 1 . 2]" 1
93 1 16 THR H 1 45 LEU H . . 4.480 4.380 3.904 4.553 0.073 12 0 "[ . 1 . 2]" 1
94 1 16 THR HB 1 17 GLN H . . 4.230 3.635 1.920 4.341 0.111 18 0 "[ . 1 . 2]" 1
95 1 16 THR MG 1 17 GLN H . . 4.810 3.191 1.621 4.248 . 0 0 "[ . 1 . 2]" 1
96 1 16 THR MG 1 18 ARG QB . . 5.500 3.776 2.401 5.622 0.122 1 0 "[ . 1 . 2]" 1
97 1 16 THR MG 1 44 GLY QA . . 4.830 3.474 2.064 4.881 0.051 14 0 "[ . 1 . 2]" 1
98 1 16 THR MG 1 45 LEU QB . . 4.820 3.727 2.807 4.849 0.029 3 0 "[ . 1 . 2]" 1
99 1 16 THR MG 2 51 PRO QD . . 4.810 3.285 2.672 4.851 0.041 8 0 "[ . 1 . 2]" 1
100 1 17 GLN H 1 18 ARG QB . . 5.210 4.987 4.582 5.450 0.240 3 0 "[ . 1 . 2]" 1
101 1 17 GLN QB 1 17 GLN QG . . 2.420 2.036 1.988 2.086 . 0 0 "[ . 1 . 2]" 1
102 1 17 GLN QB 1 18 ARG H . . 4.180 3.852 3.467 4.038 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLN QG 1 18 ARG H . . 4.690 3.847 3.137 4.430 . 0 0 "[ . 1 . 2]" 1
104 1 17 GLN QG 1 18 ARG HA . . 4.200 4.066 3.815 4.271 0.071 15 0 "[ . 1 . 2]" 1
105 1 17 GLN QG 1 18 ARG QB . . 5.490 5.094 4.623 5.429 . 0 0 "[ . 1 . 2]" 1
106 1 18 ARG H 1 18 ARG QB . . 3.550 2.720 2.257 3.187 . 0 0 "[ . 1 . 2]" 1
107 1 18 ARG H 1 18 ARG QD . . 5.340 3.575 1.608 4.786 . 0 0 "[ . 1 . 2]" 1
108 1 18 ARG H 1 19 LEU H . . 5.080 4.384 4.314 4.462 . 0 0 "[ . 1 . 2]" 1
109 1 18 ARG HA 1 18 ARG QD . . 3.800 2.970 1.982 3.919 0.119 3 0 "[ . 1 . 2]" 1
110 1 18 ARG HA 1 19 LEU QB . . 5.200 4.352 4.172 4.642 . 0 0 "[ . 1 . 2]" 1
111 1 18 ARG HA 1 19 LEU QD . . 5.400 3.085 2.505 4.141 . 0 0 "[ . 1 . 2]" 1
112 1 18 ARG HA 1 19 LEU HG . . 5.500 5.088 3.416 5.567 0.067 3 0 "[ . 1 . 2]" 1
113 1 18 ARG QB 1 18 ARG QD . . 3.150 2.420 2.130 2.868 . 0 0 "[ . 1 . 2]" 1
114 1 18 ARG QB 1 19 LEU H . . 4.300 2.849 2.496 3.586 . 0 0 "[ . 1 . 2]" 1
115 1 18 ARG QB 1 19 LEU HA . . 5.470 4.493 3.951 5.080 . 0 0 "[ . 1 . 2]" 1
116 1 18 ARG QB 1 19 LEU QD . . 4.470 3.735 2.857 4.455 . 0 0 "[ . 1 . 2]" 1
117 1 18 ARG QB 1 44 GLY H . . 5.000 4.068 3.382 5.073 0.073 16 0 "[ . 1 . 2]" 1
118 1 18 ARG QB 2 52 GLN QG . . 5.020 4.861 3.586 5.188 0.168 1 0 "[ . 1 . 2]" 1
119 1 18 ARG QD 1 19 LEU H . . 5.500 3.453 1.818 4.764 . 0 0 "[ . 1 . 2]" 1
120 1 18 ARG QD 1 44 GLY H . . 5.500 4.419 2.988 5.567 0.067 8 0 "[ . 1 . 2]" 1
121 1 18 ARG QG 1 44 GLY H . . 5.040 3.360 2.661 5.045 0.005 3 0 "[ . 1 . 2]" 1
122 1 18 ARG QG 1 44 GLY QA . . 5.170 2.065 1.803 2.959 . 0 0 "[ . 1 . 2]" 1
123 1 18 ARG QG 1 45 LEU H . . 4.550 4.540 4.028 4.713 0.163 6 0 "[ . 1 . 2]" 1
124 1 19 LEU H 1 19 LEU MD1 . . 5.310 3.148 1.821 4.034 . 0 0 "[ . 1 . 2]" 1
125 1 19 LEU H 1 19 LEU QD . . 4.670 1.994 1.602 3.316 . 0 0 "[ . 1 . 2]" 1
126 1 19 LEU H 1 19 LEU MD2 . . 5.310 2.676 1.603 4.325 . 0 0 "[ . 1 . 2]" 1
127 1 19 LEU H 1 19 LEU HG . . 5.500 3.378 1.927 4.080 . 0 0 "[ . 1 . 2]" 1
128 1 19 LEU HA 1 19 LEU QD . . 4.130 3.007 2.022 3.450 . 0 0 "[ . 1 . 2]" 1
129 1 19 LEU QB 1 20 PRO QD . . 4.210 2.285 1.939 2.728 . 0 0 "[ . 1 . 2]" 1
130 1 19 LEU QD 1 20 PRO QD . . 3.960 3.427 2.696 3.928 . 0 0 "[ . 1 . 2]" 1
131 1 19 LEU QD 1 20 PRO QG . . 4.920 4.551 3.872 4.955 0.035 4 0 "[ . 1 . 2]" 1
132 1 19 LEU QD 2 51 PRO HA . . 5.310 5.252 4.701 5.463 0.153 6 0 "[ . 1 . 2]" 1
133 1 19 LEU QD 2 52 GLN H . . 5.440 4.467 3.908 5.079 . 0 0 "[ . 1 . 2]" 1
134 1 19 LEU QD 2 52 GLN QB . . 5.440 3.669 1.858 4.597 . 0 0 "[ . 1 . 2]" 1
135 1 20 PRO HA 1 21 VAL HB . . 4.980 4.478 4.329 4.645 . 0 0 "[ . 1 . 2]" 1
136 1 20 PRO HA 1 21 VAL QG . . 4.770 3.531 3.239 3.807 . 0 0 "[ . 1 . 2]" 1
137 1 20 PRO HD2 1 21 VAL H . . 5.470 5.510 5.332 5.610 0.140 18 0 "[ . 1 . 2]" 1
138 1 20 PRO HD3 1 21 VAL H . . 5.470 5.469 5.182 5.579 0.109 4 0 "[ . 1 . 2]" 1
139 1 20 PRO QG 1 21 VAL H . . 4.870 4.546 4.373 4.642 . 0 0 "[ . 1 . 2]" 1
140 1 21 VAL H 1 21 VAL MG1 . . 4.030 2.990 2.134 3.935 . 0 0 "[ . 1 . 2]" 1
141 1 21 VAL H 1 21 VAL QG . . 3.410 2.416 2.125 2.805 . 0 0 "[ . 1 . 2]" 1
142 1 21 VAL H 1 21 VAL MG2 . . 4.030 3.363 2.509 3.956 . 0 0 "[ . 1 . 2]" 1
143 1 21 VAL H 1 42 LYS H . . 5.500 4.298 3.347 5.212 . 0 0 "[ . 1 . 2]" 1
144 1 21 VAL QG 1 41 THR HA . . 4.950 3.348 2.353 4.653 . 0 0 "[ . 1 . 2]" 1
145 1 21 VAL QG 1 42 LYS H . . 5.380 3.545 2.614 4.869 . 0 0 "[ . 1 . 2]" 1
146 1 21 VAL QG 1 43 ARG H . . 5.440 4.866 4.260 5.520 0.080 19 0 "[ . 1 . 2]" 1
147 1 23 ARG H 1 24 ILE H . . 4.790 4.428 4.272 4.514 . 0 0 "[ . 1 . 2]" 1
148 1 23 ARG HA 1 23 ARG QD . . 3.710 2.759 2.028 3.867 0.157 9 0 "[ . 1 . 2]" 1
149 1 23 ARG HA 1 24 ILE H . . 3.370 2.229 2.140 2.468 . 0 0 "[ . 1 . 2]" 1
150 1 23 ARG QB 1 23 ARG QD . . 3.320 2.347 2.008 2.825 . 0 0 "[ . 1 . 2]" 1
151 1 23 ARG QB 1 24 ILE QG . . 5.180 4.919 4.113 5.236 0.056 4 0 "[ . 1 . 2]" 1
152 1 23 ARG QD 1 24 ILE H . . 5.430 3.696 2.171 4.952 . 0 0 "[ . 1 . 2]" 1
153 1 24 ILE H 1 24 ILE HB . . 3.480 2.489 2.438 2.542 . 0 0 "[ . 1 . 2]" 1
154 1 24 ILE H 1 24 ILE MD . . 4.010 3.413 3.235 3.722 . 0 0 "[ . 1 . 2]" 1
155 1 24 ILE H 1 24 ILE HG12 . . 4.810 2.410 2.191 2.761 . 0 0 "[ . 1 . 2]" 1
156 1 24 ILE H 1 24 ILE QG . . 4.090 2.384 2.174 2.716 . 0 0 "[ . 1 . 2]" 1
157 1 24 ILE H 1 24 ILE HG13 . . 4.810 3.803 3.641 4.040 . 0 0 "[ . 1 . 2]" 1
158 1 24 ILE H 1 24 ILE MG . . 4.610 3.783 3.766 3.806 . 0 0 "[ . 1 . 2]" 1
159 1 24 ILE H 1 25 LYS H . . 4.990 4.375 4.178 4.550 . 0 0 "[ . 1 . 2]" 1
160 1 24 ILE H 1 25 LYS QD . . 4.600 4.427 4.013 4.761 0.161 15 0 "[ . 1 . 2]" 1
161 1 24 ILE HA 1 24 ILE MD . . 3.540 2.097 2.061 2.124 . 0 0 "[ . 1 . 2]" 1
162 1 24 ILE HA 1 24 ILE QG . . 3.710 2.988 2.920 3.041 . 0 0 "[ . 1 . 2]" 1
163 1 24 ILE HA 1 24 ILE MG . . 3.570 2.441 2.404 2.483 . 0 0 "[ . 1 . 2]" 1
164 1 24 ILE HA 1 25 LYS H . . 3.400 2.137 2.084 2.219 . 0 0 "[ . 1 . 2]" 1
165 1 24 ILE HA 1 25 LYS QB . . 5.500 4.446 4.027 4.595 . 0 0 "[ . 1 . 2]" 1
166 1 24 ILE HA 1 40 ILE H . . 5.360 4.490 4.223 4.858 . 0 0 "[ . 1 . 2]" 1
167 1 24 ILE HA 1 40 ILE HB . . 5.500 3.927 3.490 4.407 . 0 0 "[ . 1 . 2]" 1
168 1 24 ILE HB 1 24 ILE MD . . 3.420 3.247 3.227 3.258 . 0 0 "[ . 1 . 2]" 1
169 1 24 ILE HB 1 25 LYS H . . 5.180 4.214 4.081 4.276 . 0 0 "[ . 1 . 2]" 1
170 1 24 ILE HB 1 25 LYS HA . . 5.500 4.772 4.623 4.875 . 0 0 "[ . 1 . 2]" 1
171 1 24 ILE MD 1 24 ILE MG . . 2.400 2.044 1.955 2.121 . 0 0 "[ . 1 . 2]" 1
172 1 24 ILE MD 1 25 LYS H . . 3.880 3.777 3.678 3.864 . 0 0 "[ . 1 . 2]" 1
173 1 24 ILE MD 1 39 PHE QB . . 5.260 4.280 3.552 5.107 . 0 0 "[ . 1 . 2]" 1
174 1 24 ILE MD 1 40 ILE HA . . 5.500 5.287 5.050 5.562 0.062 15 0 "[ . 1 . 2]" 1
175 1 24 ILE MD 1 42 LYS H . . 5.500 3.159 2.551 3.812 . 0 0 "[ . 1 . 2]" 1
176 1 24 ILE QG 1 24 ILE MG . . 3.080 2.307 2.278 2.351 . 0 0 "[ . 1 . 2]" 1
177 1 24 ILE QG 1 25 LYS H . . 5.320 4.724 4.656 4.802 . 0 0 "[ . 1 . 2]" 1
178 1 24 ILE QG 1 41 THR HA . . 5.130 4.360 4.071 4.904 . 0 0 "[ . 1 . 2]" 1
179 1 24 ILE HG12 1 24 ILE MG . . 3.700 3.218 3.211 3.231 . 0 0 "[ . 1 . 2]" 1
180 1 24 ILE HG13 1 24 ILE MG . . 3.700 2.363 2.330 2.415 . 0 0 "[ . 1 . 2]" 1
181 1 24 ILE MG 1 25 LYS H . . 4.320 2.850 2.540 2.999 . 0 0 "[ . 1 . 2]" 1
182 1 24 ILE MG 1 26 THR HA . . 5.500 4.327 4.000 4.790 . 0 0 "[ . 1 . 2]" 1
183 1 24 ILE MG 1 26 THR HB . . 5.300 5.191 4.669 5.373 0.073 3 0 "[ . 1 . 2]" 1
184 1 24 ILE MG 1 39 PHE HA . . 4.810 3.568 3.156 4.155 . 0 0 "[ . 1 . 2]" 1
185 1 24 ILE MG 1 39 PHE QB . . 4.890 2.903 2.317 3.541 . 0 0 "[ . 1 . 2]" 1
186 1 24 ILE MG 1 40 ILE H . . 4.900 3.381 2.992 3.650 . 0 0 "[ . 1 . 2]" 1
187 1 25 LYS H 1 25 LYS QB . . 3.800 2.555 2.404 2.768 . 0 0 "[ . 1 . 2]" 1
188 1 25 LYS H 1 26 THR H . . 4.690 4.442 4.307 4.538 . 0 0 "[ . 1 . 2]" 1
189 1 25 LYS H 1 39 PHE HA . . 5.170 4.523 4.055 4.822 . 0 0 "[ . 1 . 2]" 1
190 1 25 LYS H 1 40 ILE H . . 4.610 2.966 2.738 3.154 . 0 0 "[ . 1 . 2]" 1
191 1 25 LYS H 1 40 ILE HB . . 4.350 2.262 1.984 2.635 . 0 0 "[ . 1 . 2]" 1
192 1 25 LYS H 1 40 ILE QG . . 4.390 3.818 3.529 4.109 . 0 0 "[ . 1 . 2]" 1
193 1 25 LYS H 1 40 ILE MG . . 4.940 3.530 3.106 3.960 . 0 0 "[ . 1 . 2]" 1
194 1 25 LYS H 1 41 THR HA . . 4.990 4.475 4.059 4.915 . 0 0 "[ . 1 . 2]" 1
195 1 25 LYS HA 1 25 LYS QD . . 4.770 2.369 1.836 2.981 . 0 0 "[ . 1 . 2]" 1
196 1 25 LYS HA 1 25 LYS QE . . 4.960 3.714 2.902 4.127 . 0 0 "[ . 1 . 2]" 1
197 1 25 LYS HA 1 25 LYS QG . . 3.370 2.757 2.377 3.115 . 0 0 "[ . 1 . 2]" 1
198 1 25 LYS HA 1 26 THR HA . . 5.500 4.397 4.312 4.458 . 0 0 "[ . 1 . 2]" 1
199 1 25 LYS QB 1 25 LYS QD . . 2.400 2.396 2.296 2.575 0.175 7 0 "[ . 1 . 2]" 1
200 1 25 LYS QB 1 25 LYS QE . . 4.440 3.327 1.946 3.859 . 0 0 "[ . 1 . 2]" 1
201 1 25 LYS QB 1 26 THR H . . 3.900 2.872 2.444 3.659 . 0 0 "[ . 1 . 2]" 1
202 1 25 LYS QB 1 26 THR HA . . 5.500 4.150 3.950 4.562 . 0 0 "[ . 1 . 2]" 1
203 1 25 LYS QB 1 27 TYR QE . . 5.380 2.110 1.967 2.711 . 0 0 "[ . 1 . 2]" 1
204 1 25 LYS QB 1 40 ILE H . . 4.580 3.199 2.894 3.492 . 0 0 "[ . 1 . 2]" 1
205 1 25 LYS QB 1 40 ILE HB . . 4.300 2.035 1.886 2.256 . 0 0 "[ . 1 . 2]" 1
206 1 25 LYS QE 1 26 THR H . . 5.500 4.992 3.424 5.611 0.111 17 0 "[ . 1 . 2]" 1
207 1 25 LYS QG 2 31 GLU QB . . 4.330 4.011 3.448 4.330 . 0 0 "[ . 1 . 2]" 1
208 1 26 THR H 1 26 THR HB . . 4.140 3.194 2.466 3.764 . 0 0 "[ . 1 . 2]" 1
209 1 26 THR H 1 26 THR MG . . 4.330 3.258 2.651 3.892 . 0 0 "[ . 1 . 2]" 1
210 1 26 THR H 1 27 TYR H . . 5.240 4.272 4.163 4.359 . 0 0 "[ . 1 . 2]" 1
211 1 26 THR HA 1 26 THR MG . . 3.710 2.349 2.296 2.382 . 0 0 "[ . 1 . 2]" 1
212 1 26 THR HA 1 27 TYR H . . 3.520 2.088 2.063 2.130 . 0 0 "[ . 1 . 2]" 1
213 1 26 THR HA 1 27 TYR QD . . 5.500 3.890 3.716 4.219 . 0 0 "[ . 1 . 2]" 1
214 1 26 THR HA 1 37 VAL MG1 . . 5.500 3.375 3.162 3.504 . 0 0 "[ . 1 . 2]" 1
215 1 26 THR HA 1 37 VAL MG2 . . 5.500 5.607 5.556 5.643 0.143 12 0 "[ . 1 . 2]" 1
216 1 26 THR HA 1 39 PHE HA . . 3.640 2.734 2.565 2.924 . 0 0 "[ . 1 . 2]" 1
217 1 26 THR HA 1 39 PHE QB . . 5.340 4.550 4.422 4.747 . 0 0 "[ . 1 . 2]" 1
218 1 26 THR HA 1 40 ILE H . . 5.490 3.719 3.547 3.872 . 0 0 "[ . 1 . 2]" 1
219 1 26 THR HA 1 40 ILE QG . . 5.340 4.443 4.104 4.720 . 0 0 "[ . 1 . 2]" 1
220 1 26 THR HB 1 27 TYR H . . 4.820 3.692 3.250 4.211 . 0 0 "[ . 1 . 2]" 1
221 1 26 THR HB 1 27 TYR HA . . 5.500 4.545 4.339 4.729 . 0 0 "[ . 1 . 2]" 1
222 1 26 THR HB 1 37 VAL QG . . 5.110 3.496 2.555 4.436 . 0 0 "[ . 1 . 2]" 1
223 1 26 THR HB 1 39 PHE HA . . 5.500 5.114 4.620 5.532 0.032 15 0 "[ . 1 . 2]" 1
224 1 26 THR HB 1 39 PHE QE . . 5.500 4.581 4.081 5.149 . 0 0 "[ . 1 . 2]" 1
225 1 26 THR MG 1 27 TYR H . . 3.950 3.408 2.754 3.977 0.027 4 0 "[ . 1 . 2]" 1
226 1 26 THR MG 1 39 PHE HA . . 4.590 3.552 2.948 4.142 . 0 0 "[ . 1 . 2]" 1
227 1 26 THR MG 1 39 PHE QE . . 3.790 2.681 2.377 2.939 . 0 0 "[ . 1 . 2]" 1
228 1 27 TYR H 1 27 TYR QD . . 4.350 3.222 3.107 3.482 . 0 0 "[ . 1 . 2]" 1
229 1 27 TYR H 1 27 TYR QE . . 5.480 5.220 5.131 5.419 . 0 0 "[ . 1 . 2]" 1
230 1 27 TYR H 1 28 THR H . . 4.770 4.253 4.193 4.299 . 0 0 "[ . 1 . 2]" 1
231 1 27 TYR H 1 28 THR MG . . 5.270 4.010 3.785 4.252 . 0 0 "[ . 1 . 2]" 1
232 1 27 TYR H 1 37 VAL MG1 . . 4.820 2.981 2.785 3.100 . 0 0 "[ . 1 . 2]" 1
233 1 27 TYR H 1 37 VAL MG2 . . 4.820 4.862 4.797 4.902 0.082 17 0 "[ . 1 . 2]" 1
234 1 27 TYR H 1 38 ILE HB . . 4.470 3.100 2.952 3.241 . 0 0 "[ . 1 . 2]" 1
235 1 27 TYR H 1 38 ILE QG . . 5.340 4.715 4.610 4.838 . 0 0 "[ . 1 . 2]" 1
236 1 27 TYR H 1 40 ILE H . . 5.500 4.839 4.567 4.991 . 0 0 "[ . 1 . 2]" 1
237 1 27 TYR HA 1 38 ILE HB . . 5.500 4.654 4.561 4.806 . 0 0 "[ . 1 . 2]" 1
238 1 27 TYR QB 1 28 THR H . . 4.250 3.033 2.912 3.116 . 0 0 "[ . 1 . 2]" 1
239 1 27 TYR QB 1 29 ILE MD . . 4.730 3.956 3.701 4.165 . 0 0 "[ . 1 . 2]" 1
240 1 27 TYR QB 1 38 ILE H . . 4.700 3.113 2.905 3.312 . 0 0 "[ . 1 . 2]" 1
241 1 27 TYR QB 1 38 ILE HB . . 4.820 1.984 1.856 2.096 . 0 0 "[ . 1 . 2]" 1
242 1 27 TYR QB 1 38 ILE MD . . 4.160 2.937 2.827 3.189 . 0 0 "[ . 1 . 2]" 1
243 1 27 TYR QB 1 40 ILE MD . . 5.340 4.319 4.033 4.651 . 0 0 "[ . 1 . 2]" 1
244 1 27 TYR QB 2 29 ILE MD . . 4.160 1.982 1.868 2.224 . 0 0 "[ . 1 . 2]" 1
245 1 27 TYR QB 2 29 ILE QG . . 4.900 3.870 3.591 4.109 . 0 0 "[ . 1 . 2]" 1
246 1 27 TYR QB 2 29 ILE MG . . 4.750 2.962 2.671 3.315 . 0 0 "[ . 1 . 2]" 1
247 1 27 TYR HB2 1 28 THR H . . 4.830 4.175 4.083 4.237 . 0 0 "[ . 1 . 2]" 1
248 1 27 TYR HB2 1 29 ILE MD . . 5.500 4.988 4.436 5.355 . 0 0 "[ . 1 . 2]" 1
249 1 27 TYR HB2 1 38 ILE H . . 5.460 3.216 2.974 3.444 . 0 0 "[ . 1 . 2]" 1
250 1 27 TYR HB2 1 38 ILE HB . . 5.500 1.997 1.867 2.112 . 0 0 "[ . 1 . 2]" 1
251 1 27 TYR HB2 1 38 ILE MD . . 4.790 3.143 2.983 3.393 . 0 0 "[ . 1 . 2]" 1
252 1 27 TYR HB2 1 38 ILE MG . . 5.420 3.040 2.837 3.382 . 0 0 "[ . 1 . 2]" 1
253 1 27 TYR HB2 2 29 ILE MD . . 4.810 2.649 2.427 2.800 . 0 0 "[ . 1 . 2]" 1
254 1 27 TYR HB3 1 28 THR H . . 4.830 3.114 2.982 3.210 . 0 0 "[ . 1 . 2]" 1
255 1 27 TYR HB3 1 29 ILE MD . . 5.500 4.152 3.957 4.348 . 0 0 "[ . 1 . 2]" 1
256 1 27 TYR HB3 1 38 ILE H . . 5.460 4.158 3.992 4.341 . 0 0 "[ . 1 . 2]" 1
257 1 27 TYR HB3 1 38 ILE HB . . 5.500 3.394 3.198 3.606 . 0 0 "[ . 1 . 2]" 1
258 1 27 TYR HB3 1 38 ILE MD . . 4.790 3.534 3.349 3.874 . 0 0 "[ . 1 . 2]" 1
259 1 27 TYR HB3 1 38 ILE MG . . 5.420 4.344 4.119 4.703 . 0 0 "[ . 1 . 2]" 1
260 1 27 TYR HB3 2 29 ILE MD . . 4.810 2.053 1.913 2.386 . 0 0 "[ . 1 . 2]" 1
261 1 27 TYR QD 1 28 THR H . . 5.000 3.590 3.437 3.698 . 0 0 "[ . 1 . 2]" 1
262 1 27 TYR QD 1 29 ILE MD . . 5.000 5.058 4.972 5.152 0.152 19 0 "[ . 1 . 2]" 1
263 1 27 TYR QD 1 38 ILE H . . 5.500 4.776 4.522 4.990 . 0 0 "[ . 1 . 2]" 1
264 1 27 TYR QD 1 38 ILE HB . . 5.500 3.516 3.050 3.774 . 0 0 "[ . 1 . 2]" 1
265 1 27 TYR QD 1 38 ILE MD . . 4.860 4.292 3.921 4.479 . 0 0 "[ . 1 . 2]" 1
266 1 27 TYR QD 1 38 ILE MG . . 5.160 3.042 2.755 3.283 . 0 0 "[ . 1 . 2]" 1
267 1 27 TYR QD 1 40 ILE MD . . 4.560 3.489 3.100 3.691 . 0 0 "[ . 1 . 2]" 1
268 1 27 TYR QD 2 29 ILE MD . . 4.200 2.735 2.383 3.094 . 0 0 "[ . 1 . 2]" 1
269 1 27 TYR QD 2 29 ILE MG . . 4.240 3.003 2.805 3.141 . 0 0 "[ . 1 . 2]" 1
270 1 27 TYR QE 1 28 THR H . . 5.500 5.580 5.506 5.639 0.139 17 0 "[ . 1 . 2]" 1
271 1 27 TYR QE 1 38 ILE MG . . 5.500 4.620 4.381 4.874 . 0 0 "[ . 1 . 2]" 1
272 1 27 TYR QE 1 40 ILE HB . . 5.500 4.347 4.050 4.990 . 0 0 "[ . 1 . 2]" 1
273 1 27 TYR QE 1 40 ILE MD . . 4.200 4.113 3.649 4.261 0.061 18 0 "[ . 1 . 2]" 1
274 1 27 TYR QE 1 40 ILE QG . . 5.340 2.875 2.473 3.233 . 0 0 "[ . 1 . 2]" 1
275 1 27 TYR QE 2 29 ILE MD . . 4.620 4.023 3.804 4.555 . 0 0 "[ . 1 . 2]" 1
276 1 27 TYR QE 2 29 ILE MG . . 4.180 3.326 2.903 3.537 . 0 0 "[ . 1 . 2]" 1
277 1 28 THR H 1 28 THR MG . . 4.680 2.814 2.694 3.057 . 0 0 "[ . 1 . 2]" 1
278 1 28 THR H 1 29 ILE MD . . 5.500 5.456 5.360 5.524 0.024 7 0 "[ . 1 . 2]" 1
279 1 28 THR H 1 37 VAL QG . . 5.440 4.291 4.127 4.419 . 0 0 "[ . 1 . 2]" 1
280 1 28 THR HA 1 37 VAL HA . . 4.820 2.514 2.340 2.623 . 0 0 "[ . 1 . 2]" 1
281 1 28 THR HA 1 37 VAL HB . . 5.500 5.167 5.020 5.328 . 0 0 "[ . 1 . 2]" 1
282 1 28 THR HA 1 37 VAL MG1 . . 4.850 3.560 3.325 3.885 . 0 0 "[ . 1 . 2]" 1
283 1 28 THR HA 1 37 VAL QG . . 4.170 2.759 2.605 3.141 . 0 0 "[ . 1 . 2]" 1
284 1 28 THR HA 1 37 VAL MG2 . . 4.850 2.877 2.699 3.318 . 0 0 "[ . 1 . 2]" 1
285 1 28 THR HA 1 38 ILE H . . 4.610 3.697 3.537 3.908 . 0 0 "[ . 1 . 2]" 1
286 1 28 THR HA 1 38 ILE MD . . 5.200 5.353 5.299 5.408 0.208 4 0 "[ . 1 . 2]" 1
287 1 28 THR HB 1 29 ILE H . . 4.690 3.305 2.948 3.499 . 0 0 "[ . 1 . 2]" 1
288 1 28 THR HB 1 37 VAL QG . . 5.440 3.357 2.955 3.738 . 0 0 "[ . 1 . 2]" 1
289 1 28 THR MG 1 29 ILE H . . 3.940 3.915 3.609 3.996 0.056 15 0 "[ . 1 . 2]" 1
290 1 28 THR MG 1 37 VAL HB . . 5.110 4.318 4.011 4.486 . 0 0 "[ . 1 . 2]" 1
291 1 29 ILE H 1 29 ILE HB . . 4.180 2.612 2.454 2.721 . 0 0 "[ . 1 . 2]" 1
292 1 29 ILE H 1 29 ILE MD . . 4.850 4.163 3.841 4.323 . 0 0 "[ . 1 . 2]" 1
293 1 29 ILE H 1 29 ILE QG . . 4.380 2.950 2.727 3.094 . 0 0 "[ . 1 . 2]" 1
294 1 29 ILE H 1 29 ILE MG . . 4.760 3.828 3.758 3.876 . 0 0 "[ . 1 . 2]" 1
295 1 29 ILE H 1 30 THR H . . 5.020 4.242 4.122 4.422 . 0 0 "[ . 1 . 2]" 1
296 1 29 ILE H 1 30 THR HB . . 5.500 5.286 4.973 5.524 0.024 7 0 "[ . 1 . 2]" 1
297 1 29 ILE H 1 35 ARG HA . . 5.500 4.464 4.130 4.891 . 0 0 "[ . 1 . 2]" 1
298 1 29 ILE H 1 36 ALA H . . 4.620 3.001 2.703 3.290 . 0 0 "[ . 1 . 2]" 1
299 1 29 ILE HA 1 30 THR H . . 3.360 2.122 2.032 2.211 . 0 0 "[ . 1 . 2]" 1
300 1 29 ILE HB 1 30 THR H . . 4.790 4.263 4.132 4.316 . 0 0 "[ . 1 . 2]" 1
301 1 29 ILE HB 1 36 ALA H . . 4.460 3.544 3.129 3.759 . 0 0 "[ . 1 . 2]" 1
302 1 29 ILE HB 1 36 ALA MB . . 4.240 2.520 2.125 2.960 . 0 0 "[ . 1 . 2]" 1
303 1 29 ILE HB 1 37 VAL HA . . 5.500 5.320 5.082 5.517 0.017 3 0 "[ . 1 . 2]" 1
304 1 29 ILE HB 2 38 ILE HB . . 5.480 4.818 4.563 5.079 . 0 0 "[ . 1 . 2]" 1
305 1 29 ILE HB 2 38 ILE MD . . 3.650 2.718 2.456 3.045 . 0 0 "[ . 1 . 2]" 1
306 1 29 ILE HB 2 38 ILE MG . . 4.060 3.605 3.297 3.908 . 0 0 "[ . 1 . 2]" 1
307 1 29 ILE MD 1 29 ILE MG . . 3.380 1.946 1.875 2.010 . 0 0 "[ . 1 . 2]" 1
308 1 29 ILE MD 1 30 THR H . . 5.130 5.038 4.840 5.148 0.018 4 0 "[ . 1 . 2]" 1
309 1 29 ILE MD 1 36 ALA H . . 5.500 5.393 4.902 5.568 0.068 15 0 "[ . 1 . 2]" 1
310 1 29 ILE MD 1 38 ILE HB . . 5.500 5.050 4.382 5.511 0.011 14 0 "[ . 1 . 2]" 1
311 1 29 ILE MD 1 38 ILE QG . . 4.960 4.131 3.280 4.727 . 0 0 "[ . 1 . 2]" 1
312 1 29 ILE MD 2 27 TYR HB2 . . 4.810 2.582 2.290 2.777 . 0 0 "[ . 1 . 2]" 1
313 1 29 ILE MD 2 27 TYR QB . . 4.160 1.947 1.839 2.101 . 0 0 "[ . 1 . 2]" 1
314 1 29 ILE MD 2 27 TYR HB3 . . 4.810 2.017 1.898 2.205 . 0 0 "[ . 1 . 2]" 1
315 1 29 ILE MD 2 27 TYR QD . . 4.200 2.830 2.402 3.228 . 0 0 "[ . 1 . 2]" 1
316 1 29 ILE MD 2 27 TYR QE . . 4.620 4.152 3.799 4.653 0.033 19 0 "[ . 1 . 2]" 1
317 1 29 ILE MD 2 38 ILE HB . . 4.560 3.151 3.030 3.250 . 0 0 "[ . 1 . 2]" 1
318 1 29 ILE MD 2 38 ILE QG . . 4.140 3.543 3.309 3.609 . 0 0 "[ . 1 . 2]" 1
319 1 29 ILE MD 2 38 ILE MG . . 3.300 3.363 3.322 3.455 0.155 18 0 "[ . 1 . 2]" 1
320 1 29 ILE QG 1 29 ILE MG . . 3.160 2.392 2.333 2.448 . 0 0 "[ . 1 . 2]" 1
321 1 29 ILE QG 1 30 THR H . . 5.340 4.031 3.865 4.159 . 0 0 "[ . 1 . 2]" 1
322 1 29 ILE QG 2 27 TYR QB . . 4.900 3.806 3.416 3.997 . 0 0 "[ . 1 . 2]" 1
323 1 29 ILE MG 1 30 THR H . . 4.110 2.791 2.511 2.907 . 0 0 "[ . 1 . 2]" 1
324 1 29 ILE MG 1 30 THR HB . . 5.500 4.980 4.850 5.066 . 0 0 "[ . 1 . 2]" 1
325 1 29 ILE MG 1 31 GLU HG2 . . 5.500 4.494 4.010 4.802 . 0 0 "[ . 1 . 2]" 1
326 1 29 ILE MG 1 31 GLU HG3 . . 5.500 5.314 4.903 5.525 0.025 16 0 "[ . 1 . 2]" 1
327 1 29 ILE MG 1 36 ALA H . . 5.330 3.956 3.743 4.163 . 0 0 "[ . 1 . 2]" 1
328 1 29 ILE MG 2 27 TYR QB . . 4.750 2.892 2.533 3.215 . 0 0 "[ . 1 . 2]" 1
329 1 29 ILE MG 2 27 TYR QD . . 4.240 3.004 2.832 3.135 . 0 0 "[ . 1 . 2]" 1
330 1 29 ILE MG 2 27 TYR QE . . 4.180 3.380 3.201 3.580 . 0 0 "[ . 1 . 2]" 1
331 1 29 ILE MG 2 38 ILE QG . . 5.340 4.928 4.782 5.017 . 0 0 "[ . 1 . 2]" 1
332 1 29 ILE MG 2 38 ILE MG . . 3.290 3.308 3.216 3.363 0.073 4 0 "[ . 1 . 2]" 1
333 1 29 ILE MG 2 40 ILE MD . . 3.570 3.375 3.142 3.574 0.004 1 0 "[ . 1 . 2]" 1
334 1 29 ILE MG 2 40 ILE HG12 . . 4.420 4.449 4.257 4.499 0.079 1 0 "[ . 1 . 2]" 1
335 1 29 ILE MG 2 40 ILE HG13 . . 4.420 4.227 3.848 4.377 . 0 0 "[ . 1 . 2]" 1
336 1 30 THR H 1 30 THR HB . . 4.030 3.033 2.910 3.237 . 0 0 "[ . 1 . 2]" 1
337 1 30 THR H 1 30 THR MG . . 4.300 2.064 1.901 2.200 . 0 0 "[ . 1 . 2]" 1
338 1 30 THR H 1 36 ALA H . . 5.500 4.845 4.644 4.983 . 0 0 "[ . 1 . 2]" 1
339 1 30 THR HA 1 30 THR MG . . 3.460 3.225 3.180 3.246 . 0 0 "[ . 1 . 2]" 1
340 1 30 THR HA 1 31 GLU H . . 3.280 2.087 1.965 2.194 . 0 0 "[ . 1 . 2]" 1
341 1 30 THR HA 1 34 LEU H . . 4.990 4.700 4.071 5.055 0.065 2 0 "[ . 1 . 2]" 1
342 1 30 THR HA 1 35 ARG QB . . 5.200 4.108 3.130 4.917 . 0 0 "[ . 1 . 2]" 1
343 1 30 THR HA 1 35 ARG QD . . 5.120 3.575 2.313 4.905 . 0 0 "[ . 1 . 2]" 1
344 1 30 THR HA 1 35 ARG QG . . 4.580 3.645 2.494 4.662 0.082 12 0 "[ . 1 . 2]" 1
345 1 30 THR HA 1 36 ALA H . . 5.500 3.403 2.879 3.791 . 0 0 "[ . 1 . 2]" 1
346 1 30 THR HB 1 31 GLU H . . 4.250 4.161 3.920 4.270 0.020 17 0 "[ . 1 . 2]" 1
347 1 30 THR MG 1 31 GLU H . . 3.950 3.982 3.811 4.053 0.103 20 0 "[ . 1 . 2]" 1
348 1 30 THR MG 1 32 GLY H . . 5.500 4.604 4.086 5.185 . 0 0 "[ . 1 . 2]" 1
349 1 31 GLU H 1 31 GLU QB . . 3.830 2.608 2.437 2.690 . 0 0 "[ . 1 . 2]" 1
350 1 31 GLU H 1 31 GLU QG . . 4.310 4.152 4.018 4.252 . 0 0 "[ . 1 . 2]" 1
351 1 31 GLU H 1 32 GLY H . . 5.500 3.890 3.662 4.134 . 0 0 "[ . 1 . 2]" 1
352 1 31 GLU H 1 34 LEU H . . 4.320 3.173 2.667 3.602 . 0 0 "[ . 1 . 2]" 1
353 1 31 GLU H 1 34 LEU QB . . 5.340 4.469 3.146 4.997 . 0 0 "[ . 1 . 2]" 1
354 1 31 GLU H 1 34 LEU HG . . 4.440 3.761 3.250 4.174 . 0 0 "[ . 1 . 2]" 1
355 1 31 GLU H 1 35 ARG HA . . 5.500 3.621 2.919 4.341 . 0 0 "[ . 1 . 2]" 1
356 1 31 GLU H 1 35 ARG QD . . 5.500 4.707 3.657 5.586 0.086 2 0 "[ . 1 . 2]" 1
357 1 31 GLU H 1 36 ALA H . . 5.390 4.574 4.248 4.795 . 0 0 "[ . 1 . 2]" 1
358 1 31 GLU QB 1 32 GLY H . . 5.450 3.920 3.770 4.007 . 0 0 "[ . 1 . 2]" 1
359 1 31 GLU QB 1 34 LEU H . . 4.610 4.122 3.656 4.432 . 0 0 "[ . 1 . 2]" 1
360 1 31 GLU QB 1 34 LEU QD . . 4.500 2.624 1.953 3.049 . 0 0 "[ . 1 . 2]" 1
361 1 31 GLU QB 2 25 LYS QG . . 4.330 4.035 3.588 4.333 0.003 1 0 "[ . 1 . 2]" 1
362 1 31 GLU QB 2 38 ILE MG . . 4.490 4.434 4.260 4.522 0.032 19 0 "[ . 1 . 2]" 1
363 1 31 GLU QB 2 40 ILE MD . . 3.790 2.708 2.478 2.994 . 0 0 "[ . 1 . 2]" 1
364 1 31 GLU QB 2 40 ILE MG . . 3.930 3.008 2.659 3.310 . 0 0 "[ . 1 . 2]" 1
365 1 31 GLU QG 1 32 GLY QA . . 5.180 3.584 3.261 3.910 . 0 0 "[ . 1 . 2]" 1
366 1 31 GLU QG 1 33 SER H . . 5.210 4.540 4.021 5.232 0.022 9 0 "[ . 1 . 2]" 1
367 1 31 GLU QG 1 34 LEU QD . . 3.570 3.133 2.799 3.671 0.101 15 0 "[ . 1 . 2]" 1
368 1 31 GLU QG 2 40 ILE MG . . 3.350 2.182 1.924 2.522 . 0 0 "[ . 1 . 2]" 1
369 1 31 GLU HG2 2 40 ILE MD . . 3.950 3.536 3.137 3.734 . 0 0 "[ . 1 . 2]" 1
370 1 31 GLU HG2 2 40 ILE MG . . 3.880 2.618 2.058 3.273 . 0 0 "[ . 1 . 2]" 1
371 1 31 GLU HG3 2 40 ILE MD . . 3.950 4.005 3.948 4.069 0.119 1 0 "[ . 1 . 2]" 1
372 1 31 GLU HG3 2 40 ILE MG . . 3.880 2.365 2.016 2.686 . 0 0 "[ . 1 . 2]" 1
373 1 32 GLY H 1 34 LEU H . . 5.500 4.594 4.157 5.263 . 0 0 "[ . 1 . 2]" 1
374 1 32 GLY QA 1 34 LEU H . . 4.080 3.743 3.226 4.088 0.008 3 0 "[ . 1 . 2]" 1
375 1 32 GLY QA 1 56 VAL QG . . 5.280 4.115 2.607 5.359 0.079 8 0 "[ . 1 . 2]" 1
376 1 33 SER H 1 34 LEU QB . . 5.340 4.058 2.995 5.413 0.073 5 0 "[ . 1 . 2]" 1
377 1 33 SER HA 1 56 VAL HB . . 3.850 3.021 1.790 3.914 0.064 8 0 "[ . 1 . 2]" 1
378 1 34 LEU H 1 34 LEU QB . . 3.440 2.786 2.112 3.200 . 0 0 "[ . 1 . 2]" 1
379 1 34 LEU H 1 34 LEU HG . . 3.890 3.553 3.059 4.033 0.143 7 0 "[ . 1 . 2]" 1
380 1 34 LEU H 1 52 GLN H . . 5.000 4.764 4.356 5.112 0.112 2 0 "[ . 1 . 2]" 1
381 1 34 LEU HA 1 34 LEU MD1 . . 4.640 3.640 2.217 4.133 . 0 0 "[ . 1 . 2]" 1
382 1 34 LEU HA 1 34 LEU QD . . 3.630 3.094 2.204 3.426 . 0 0 "[ . 1 . 2]" 1
383 1 34 LEU HA 1 34 LEU MD2 . . 4.640 3.675 3.525 3.963 . 0 0 "[ . 1 . 2]" 1
384 1 34 LEU HA 1 52 GLN H . . 3.790 2.779 2.052 3.807 0.017 18 0 "[ . 1 . 2]" 1
385 1 34 LEU QB 1 52 GLN H . . 4.110 3.870 3.084 4.223 0.113 1 0 "[ . 1 . 2]" 1
386 1 34 LEU QB 1 52 GLN QG . . 5.340 4.117 1.909 5.209 . 0 0 "[ . 1 . 2]" 1
387 1 34 LEU QB 2 40 ILE MD . . 3.910 3.953 3.481 4.148 0.238 18 0 "[ . 1 . 2]" 1
388 1 34 LEU QD 1 35 ARG H . . 4.180 3.589 2.170 4.075 . 0 0 "[ . 1 . 2]" 1
389 1 34 LEU QD 1 36 ALA H . . 5.440 4.448 3.812 4.909 . 0 0 "[ . 1 . 2]" 1
390 1 34 LEU QD 1 36 ALA HA . . 5.420 4.367 3.628 4.978 . 0 0 "[ . 1 . 2]" 1
391 1 34 LEU QD 1 50 ASP H . . 4.780 4.364 3.045 4.929 0.149 13 0 "[ . 1 . 2]" 1
392 1 34 LEU QD 1 52 GLN H . . 5.360 4.555 3.337 5.210 . 0 0 "[ . 1 . 2]" 1
393 1 34 LEU QD 2 40 ILE MD . . 2.750 1.759 1.628 1.912 . 0 0 "[ . 1 . 2]" 1
394 1 34 LEU QD 2 40 ILE QG . . 2.950 3.039 2.890 3.148 0.198 9 0 "[ . 1 . 2]" 1
395 1 34 LEU QD 2 40 ILE MG . . 2.640 1.883 1.662 2.455 . 0 0 "[ . 1 . 2]" 1
396 1 34 LEU QD 2 45 LEU QD . . 2.560 2.345 1.942 2.613 0.053 13 0 "[ . 1 . 2]" 1
397 1 34 LEU HG 1 35 ARG H . . 4.020 3.807 2.918 4.101 0.081 11 0 "[ . 1 . 2]" 1
398 1 35 ARG H 1 35 ARG QD . . 5.500 3.672 2.094 5.104 . 0 0 "[ . 1 . 2]" 1
399 1 35 ARG H 1 36 ALA H . . 5.250 4.305 4.200 4.398 . 0 0 "[ . 1 . 2]" 1
400 1 35 ARG H 1 36 ALA MB . . 5.320 4.954 4.779 5.072 . 0 0 "[ . 1 . 2]" 1
401 1 35 ARG H 1 50 ASP H . . 5.100 3.391 3.058 3.825 . 0 0 "[ . 1 . 2]" 1
402 1 35 ARG H 1 50 ASP QB . . 5.340 3.478 2.664 4.052 . 0 0 "[ . 1 . 2]" 1
403 1 35 ARG H 1 51 PRO QD . . 5.350 4.960 4.600 5.380 0.030 8 0 "[ . 1 . 2]" 1
404 1 35 ARG H 1 52 GLN QG . . 5.500 5.590 4.659 5.799 0.299 4 0 "[ . 1 . 2]" 1
405 1 35 ARG QB 1 36 ALA MB . . 5.340 4.698 4.480 5.030 . 0 0 "[ . 1 . 2]" 1
406 1 35 ARG QB 1 37 VAL QG . . 4.980 3.430 2.930 4.468 . 0 0 "[ . 1 . 2]" 1
407 1 35 ARG HB2 1 36 ALA H . . 4.870 4.266 4.037 4.500 . 0 0 "[ . 1 . 2]" 1
408 1 35 ARG HB3 1 36 ALA H . . 4.870 3.597 3.062 4.337 . 0 0 "[ . 1 . 2]" 1
409 1 35 ARG QD 1 36 ALA H . . 5.500 4.439 2.877 5.459 . 0 0 "[ . 1 . 2]" 1
410 1 36 ALA H 1 37 VAL QG . . 5.440 4.200 4.064 4.346 . 0 0 "[ . 1 . 2]" 1
411 1 36 ALA H 2 38 ILE MD . . 5.300 4.451 4.124 4.821 . 0 0 "[ . 1 . 2]" 1
412 1 36 ALA H 2 38 ILE MG . . 5.100 4.869 4.398 5.142 0.042 1 0 "[ . 1 . 2]" 1
413 1 36 ALA HA 1 37 VAL H . . 3.530 2.148 2.104 2.251 . 0 0 "[ . 1 . 2]" 1
414 1 36 ALA HA 1 37 VAL HA . . 5.500 4.375 4.347 4.403 . 0 0 "[ . 1 . 2]" 1
415 1 36 ALA HA 1 37 VAL HB . . 5.500 4.643 4.545 4.705 . 0 0 "[ . 1 . 2]" 1
416 1 36 ALA HA 1 37 VAL QG . . 4.640 3.580 3.449 3.723 . 0 0 "[ . 1 . 2]" 1
417 1 36 ALA HA 1 48 CYS H . . 5.040 4.663 4.351 4.864 . 0 0 "[ . 1 . 2]" 1
418 1 36 ALA HA 1 49 ALA HA . . 4.320 2.541 2.075 2.870 . 0 0 "[ . 1 . 2]" 1
419 1 36 ALA HA 1 49 ALA MB . . 4.450 3.805 2.908 4.118 . 0 0 "[ . 1 . 2]" 1
420 1 36 ALA HA 1 50 ASP H . . 4.560 3.304 2.925 3.711 . 0 0 "[ . 1 . 2]" 1
421 1 36 ALA HA 1 50 ASP QB . . 5.340 4.665 3.959 5.247 . 0 0 "[ . 1 . 2]" 1
422 1 36 ALA HA 2 38 ILE MD . . 5.050 4.428 4.167 4.746 . 0 0 "[ . 1 . 2]" 1
423 1 36 ALA HA 2 38 ILE MG . . 5.050 4.937 4.601 5.097 0.047 8 0 "[ . 1 . 2]" 1
424 1 36 ALA MB 1 37 VAL H . . 3.760 3.042 2.760 3.279 . 0 0 "[ . 1 . 2]" 1
425 1 36 ALA MB 1 48 CYS H . . 5.020 4.675 4.317 4.983 . 0 0 "[ . 1 . 2]" 1
426 1 36 ALA MB 1 49 ALA HA . . 4.790 3.712 3.375 4.121 . 0 0 "[ . 1 . 2]" 1
427 1 36 ALA MB 1 50 ASP H . . 4.870 4.522 4.202 4.800 . 0 0 "[ . 1 . 2]" 1
428 1 36 ALA MB 2 38 ILE MG . . 2.950 2.518 2.258 2.677 . 0 0 "[ . 1 . 2]" 1
429 1 37 VAL H 1 37 VAL HB . . 4.100 2.696 2.608 2.787 . 0 0 "[ . 1 . 2]" 1
430 1 37 VAL H 1 37 VAL MG1 . . 4.420 3.881 3.826 3.937 . 0 0 "[ . 1 . 2]" 1
431 1 37 VAL H 1 37 VAL QG . . 3.730 2.690 2.556 2.829 . 0 0 "[ . 1 . 2]" 1
432 1 37 VAL H 1 37 VAL MG2 . . 4.420 2.744 2.593 2.905 . 0 0 "[ . 1 . 2]" 1
433 1 37 VAL H 1 39 PHE QE . . 5.500 5.245 4.705 5.514 0.014 8 0 "[ . 1 . 2]" 1
434 1 37 VAL H 1 48 CYS H . . 4.550 2.916 2.642 3.154 . 0 0 "[ . 1 . 2]" 1
435 1 37 VAL H 1 48 CYS QB . . 4.720 3.410 3.216 3.790 . 0 0 "[ . 1 . 2]" 1
436 1 37 VAL H 1 49 ALA H . . 5.190 4.833 4.752 4.916 . 0 0 "[ . 1 . 2]" 1
437 1 37 VAL H 1 49 ALA HA . . 4.340 3.434 3.077 3.698 . 0 0 "[ . 1 . 2]" 1
438 1 37 VAL H 1 49 ALA MB . . 4.640 4.595 3.884 4.759 0.119 9 0 "[ . 1 . 2]" 1
439 1 37 VAL H 1 50 ASP H . . 5.220 4.414 4.059 4.920 . 0 0 "[ . 1 . 2]" 1
440 1 37 VAL HB 1 38 ILE H . . 4.860 4.152 4.014 4.237 . 0 0 "[ . 1 . 2]" 1
441 1 37 VAL HB 1 39 PHE QE . . 4.890 3.116 2.753 3.364 . 0 0 "[ . 1 . 2]" 1
442 1 37 VAL HB 1 48 CYS H . . 5.120 3.166 2.553 3.439 . 0 0 "[ . 1 . 2]" 1
443 1 37 VAL HB 1 48 CYS HA . . 5.500 4.803 4.469 5.151 . 0 0 "[ . 1 . 2]" 1
444 1 37 VAL HB 1 48 CYS QB . . 4.730 2.136 1.911 2.765 . 0 0 "[ . 1 . 2]" 1
445 1 37 VAL QG 1 38 ILE HA . . 4.750 3.691 3.489 3.795 . 0 0 "[ . 1 . 2]" 1
446 1 37 VAL QG 1 39 PHE HA . . 4.580 3.935 3.773 4.125 . 0 0 "[ . 1 . 2]" 1
447 1 37 VAL QG 1 39 PHE QE . . 3.610 2.777 2.660 2.895 . 0 0 "[ . 1 . 2]" 1
448 1 37 VAL QG 1 48 CYS H . . 4.640 3.698 3.388 3.936 . 0 0 "[ . 1 . 2]" 1
449 1 37 VAL QG 1 48 CYS QB . . 4.440 2.951 2.658 3.394 . 0 0 "[ . 1 . 2]" 1
450 1 37 VAL QG 1 50 ASP QB . . 5.280 3.605 3.011 4.180 . 0 0 "[ . 1 . 2]" 1
451 1 37 VAL MG1 1 38 ILE H . . 4.130 2.656 2.457 2.791 . 0 0 "[ . 1 . 2]" 1
452 1 37 VAL MG1 1 39 PHE QE . . 4.370 2.825 2.694 2.956 . 0 0 "[ . 1 . 2]" 1
453 1 37 VAL MG1 1 48 CYS H . . 5.300 3.957 3.658 4.332 . 0 0 "[ . 1 . 2]" 1
454 1 37 VAL MG2 1 38 ILE H . . 4.130 3.936 3.806 4.103 . 0 0 "[ . 1 . 2]" 1
455 1 37 VAL MG2 1 39 PHE QE . . 4.370 4.112 3.864 4.304 . 0 0 "[ . 1 . 2]" 1
456 1 37 VAL MG2 1 48 CYS H . . 5.300 4.457 3.999 4.680 . 0 0 "[ . 1 . 2]" 1
457 1 38 ILE H 1 38 ILE HB . . 4.160 2.260 2.199 2.366 . 0 0 "[ . 1 . 2]" 1
458 1 38 ILE H 1 38 ILE MD . . 4.410 3.705 3.584 3.897 . 0 0 "[ . 1 . 2]" 1
459 1 38 ILE H 1 38 ILE HG12 . . 4.760 3.920 3.831 4.031 . 0 0 "[ . 1 . 2]" 1
460 1 38 ILE H 1 38 ILE QG . . 4.080 2.700 2.578 2.855 . 0 0 "[ . 1 . 2]" 1
461 1 38 ILE H 1 38 ILE HG13 . . 4.760 2.751 2.619 2.920 . 0 0 "[ . 1 . 2]" 1
462 1 38 ILE H 1 38 ILE MG . . 4.250 3.627 3.579 3.708 . 0 0 "[ . 1 . 2]" 1
463 1 38 ILE H 1 39 PHE H . . 5.380 4.272 4.174 4.375 . 0 0 "[ . 1 . 2]" 1
464 1 38 ILE H 1 40 ILE MD . . 5.500 5.640 5.531 5.683 0.183 12 0 "[ . 1 . 2]" 1
465 1 38 ILE HA 1 38 ILE MD . . 4.560 3.770 3.725 3.794 . 0 0 "[ . 1 . 2]" 1
466 1 38 ILE HA 1 46 LYS H . . 4.980 4.719 4.409 4.985 0.005 4 0 "[ . 1 . 2]" 1
467 1 38 ILE HA 1 47 VAL HA . . 4.960 2.569 2.360 2.761 . 0 0 "[ . 1 . 2]" 1
468 1 38 ILE HA 1 48 CYS H . . 4.730 3.714 3.445 4.031 . 0 0 "[ . 1 . 2]" 1
469 1 38 ILE HB 2 29 ILE HB . . 5.480 4.816 4.521 5.122 . 0 0 "[ . 1 . 2]" 1
470 1 38 ILE HB 2 29 ILE MD . . 4.560 3.210 3.052 3.339 . 0 0 "[ . 1 . 2]" 1
471 1 38 ILE MD 1 38 ILE MG . . 2.780 1.831 1.760 1.869 . 0 0 "[ . 1 . 2]" 1
472 1 38 ILE MD 2 29 ILE HB . . 3.650 2.671 2.439 2.848 . 0 0 "[ . 1 . 2]" 1
473 1 38 ILE MD 2 36 ALA H . . 5.300 4.438 4.048 4.832 . 0 0 "[ . 1 . 2]" 1
474 1 38 ILE MD 2 36 ALA HA . . 5.050 4.463 4.210 4.793 . 0 0 "[ . 1 . 2]" 1
475 1 38 ILE MD 2 48 CYS H . . 5.500 5.584 5.533 5.631 0.131 20 0 "[ . 1 . 2]" 1
476 1 38 ILE QG 1 38 ILE MG . . 3.310 2.314 2.269 2.343 . 0 0 "[ . 1 . 2]" 1
477 1 38 ILE QG 1 39 PHE H . . 4.660 4.047 3.902 4.161 . 0 0 "[ . 1 . 2]" 1
478 1 38 ILE QG 1 47 VAL HA . . 5.340 3.727 3.203 4.068 . 0 0 "[ . 1 . 2]" 1
479 1 38 ILE QG 1 47 VAL HB . . 5.340 3.690 2.978 4.215 . 0 0 "[ . 1 . 2]" 1
480 1 38 ILE QG 2 29 ILE MD . . 4.140 3.596 3.333 3.715 . 0 0 "[ . 1 . 2]" 1
481 1 38 ILE QG 2 29 ILE MG . . 5.340 4.941 4.611 5.061 . 0 0 "[ . 1 . 2]" 1
482 1 38 ILE HG12 1 39 PHE H . . 5.500 4.312 4.117 4.456 . 0 0 "[ . 1 . 2]" 1
483 1 38 ILE HG12 1 48 CYS H . . 5.500 5.112 4.616 5.488 . 0 0 "[ . 1 . 2]" 1
484 1 38 ILE HG13 1 39 PHE H . . 5.500 4.907 4.836 4.988 . 0 0 "[ . 1 . 2]" 1
485 1 38 ILE HG13 1 48 CYS H . . 5.500 4.954 4.567 5.298 . 0 0 "[ . 1 . 2]" 1
486 1 38 ILE MG 1 39 PHE H . . 3.990 2.959 2.725 3.163 . 0 0 "[ . 1 . 2]" 1
487 1 38 ILE MG 1 39 PHE QD . . 5.500 4.968 4.816 5.127 . 0 0 "[ . 1 . 2]" 1
488 1 38 ILE MG 1 40 ILE H . . 4.160 3.573 3.395 3.840 . 0 0 "[ . 1 . 2]" 1
489 1 38 ILE MG 1 40 ILE HA . . 5.260 3.799 3.652 3.972 . 0 0 "[ . 1 . 2]" 1
490 1 38 ILE MG 1 46 LYS H . . 5.290 4.013 3.346 4.309 . 0 0 "[ . 1 . 2]" 1
491 1 38 ILE MG 2 29 ILE HB . . 4.060 3.539 3.240 3.842 . 0 0 "[ . 1 . 2]" 1
492 1 38 ILE MG 2 29 ILE MD . . 3.300 3.369 3.313 3.439 0.139 17 0 "[ . 1 . 2]" 1
493 1 38 ILE MG 2 29 ILE MG . . 3.290 3.284 3.096 3.338 0.048 6 0 "[ . 1 . 2]" 1
494 1 38 ILE MG 2 31 GLU QB . . 4.490 4.392 4.247 4.520 0.030 11 0 "[ . 1 . 2]" 1
495 1 38 ILE MG 2 36 ALA H . . 5.100 4.812 4.417 5.134 0.034 7 0 "[ . 1 . 2]" 1
496 1 38 ILE MG 2 36 ALA HA . . 5.050 4.902 4.624 5.070 0.020 4 0 "[ . 1 . 2]" 1
497 1 38 ILE MG 2 36 ALA MB . . 2.950 2.496 2.296 2.667 . 0 0 "[ . 1 . 2]" 1
498 1 39 PHE H 1 39 PHE QD . . 4.430 2.765 2.475 3.015 . 0 0 "[ . 1 . 2]" 1
499 1 39 PHE H 1 40 ILE H . . 5.390 4.180 4.103 4.305 . 0 0 "[ . 1 . 2]" 1
500 1 39 PHE H 1 40 ILE HA . . 5.500 4.783 4.678 4.893 . 0 0 "[ . 1 . 2]" 1
501 1 39 PHE H 1 45 LEU HA . . 5.200 5.021 4.742 5.226 0.026 11 0 "[ . 1 . 2]" 1
502 1 39 PHE H 1 45 LEU QD . . 5.440 3.382 3.022 3.689 . 0 0 "[ . 1 . 2]" 1
503 1 39 PHE H 1 46 LYS H . . 4.600 3.263 2.979 3.513 . 0 0 "[ . 1 . 2]" 1
504 1 39 PHE H 1 46 LYS QB . . 4.820 3.556 3.142 3.885 . 0 0 "[ . 1 . 2]" 1
505 1 39 PHE H 1 46 LYS QG . . 4.780 4.154 3.571 4.846 0.066 12 0 "[ . 1 . 2]" 1
506 1 39 PHE H 1 47 VAL HA . . 4.650 3.122 2.863 3.387 . 0 0 "[ . 1 . 2]" 1
507 1 39 PHE H 1 48 CYS H . . 4.950 4.550 4.320 4.856 . 0 0 "[ . 1 . 2]" 1
508 1 39 PHE HA 1 39 PHE QE . . 5.490 4.710 4.611 4.778 . 0 0 "[ . 1 . 2]" 1
509 1 39 PHE HA 1 40 ILE H . . 3.550 2.047 2.013 2.094 . 0 0 "[ . 1 . 2]" 1
510 1 39 PHE HA 1 40 ILE MD . . 5.170 4.263 4.031 4.380 . 0 0 "[ . 1 . 2]" 1
511 1 39 PHE HA 1 40 ILE HG12 . . 5.500 3.891 3.846 3.932 . 0 0 "[ . 1 . 2]" 1
512 1 39 PHE HA 1 40 ILE HG13 . . 5.500 5.550 5.528 5.580 0.080 15 0 "[ . 1 . 2]" 1
513 1 39 PHE QB 1 40 ILE H . . 4.290 3.319 3.226 3.381 . 0 0 "[ . 1 . 2]" 1
514 1 39 PHE QB 1 41 THR MG . . 5.320 3.054 2.443 3.867 . 0 0 "[ . 1 . 2]" 1
515 1 39 PHE QB 1 46 LYS H . . 4.430 3.262 2.775 3.721 . 0 0 "[ . 1 . 2]" 1
516 1 39 PHE QB 1 46 LYS QD . . 5.340 3.533 2.521 4.672 . 0 0 "[ . 1 . 2]" 1
517 1 39 PHE HB2 1 40 ILE H . . 5.020 4.242 4.183 4.282 . 0 0 "[ . 1 . 2]" 1
518 1 39 PHE HB2 1 46 LYS H . . 5.070 3.343 2.830 3.838 . 0 0 "[ . 1 . 2]" 1
519 1 39 PHE HB2 1 46 LYS QB . . 5.070 1.972 1.793 2.129 . 0 0 "[ . 1 . 2]" 1
520 1 39 PHE HB3 1 40 ILE H . . 5.020 3.467 3.354 3.544 . 0 0 "[ . 1 . 2]" 1
521 1 39 PHE HB3 1 46 LYS H . . 5.070 4.566 3.996 5.005 . 0 0 "[ . 1 . 2]" 1
522 1 39 PHE HB3 1 46 LYS QB . . 5.070 3.252 2.958 3.467 . 0 0 "[ . 1 . 2]" 1
523 1 39 PHE QD 1 40 ILE H . . 5.290 4.306 4.118 4.472 . 0 0 "[ . 1 . 2]" 1
524 1 39 PHE QD 1 46 LYS QB . . 5.400 3.201 2.697 3.436 . 0 0 "[ . 1 . 2]" 1
525 1 39 PHE QD 1 46 LYS QD . . 4.860 3.676 1.959 4.656 . 0 0 "[ . 1 . 2]" 1
526 1 39 PHE QE 1 46 LYS QE . . 4.920 3.960 2.840 4.921 0.001 2 0 "[ . 1 . 2]" 1
527 1 39 PHE QE 1 48 CYS H . . 5.300 3.753 2.965 4.364 . 0 0 "[ . 1 . 2]" 1
528 1 40 ILE H 1 40 ILE HB . . 4.070 2.492 2.367 2.586 . 0 0 "[ . 1 . 2]" 1
529 1 40 ILE H 1 40 ILE MD . . 5.010 3.296 3.147 3.431 . 0 0 "[ . 1 . 2]" 1
530 1 40 ILE H 1 40 ILE QG . . 4.310 2.461 2.365 2.583 . 0 0 "[ . 1 . 2]" 1
531 1 40 ILE H 1 40 ILE MG . . 4.160 3.774 3.715 3.820 . 0 0 "[ . 1 . 2]" 1
532 1 40 ILE HA 1 40 ILE MD . . 4.520 2.125 2.061 2.226 . 0 0 "[ . 1 . 2]" 1
533 1 40 ILE HA 1 40 ILE QG . . 3.550 3.080 3.026 3.146 . 0 0 "[ . 1 . 2]" 1
534 1 40 ILE HA 1 41 THR MG . . 4.350 3.651 3.479 3.816 . 0 0 "[ . 1 . 2]" 1
535 1 40 ILE HA 1 45 LEU QB . . 5.500 4.887 4.470 5.256 . 0 0 "[ . 1 . 2]" 1
536 1 40 ILE HA 1 45 LEU QD . . 4.710 3.418 3.168 3.776 . 0 0 "[ . 1 . 2]" 1
537 1 40 ILE HA 1 46 LYS H . . 5.060 3.889 3.577 4.468 . 0 0 "[ . 1 . 2]" 1
538 1 40 ILE HB 1 41 THR H . . 4.910 4.253 4.159 4.343 . 0 0 "[ . 1 . 2]" 1
539 1 40 ILE MD 1 40 ILE MG . . 2.550 2.204 2.119 2.296 . 0 0 "[ . 1 . 2]" 1
540 1 40 ILE MD 1 41 THR H . . 5.050 3.867 3.747 4.026 . 0 0 "[ . 1 . 2]" 1
541 1 40 ILE MD 2 29 ILE MG . . 3.570 3.391 3.172 3.558 . 0 0 "[ . 1 . 2]" 1
542 1 40 ILE MD 2 31 GLU QB . . 3.790 2.686 2.550 2.914 . 0 0 "[ . 1 . 2]" 1
543 1 40 ILE MD 2 31 GLU HG2 . . 3.950 3.551 3.393 3.699 . 0 0 "[ . 1 . 2]" 1
544 1 40 ILE MD 2 31 GLU HG3 . . 3.950 4.004 3.935 4.072 0.122 1 0 "[ . 1 . 2]" 1
545 1 40 ILE MD 2 34 LEU QB . . 3.910 3.900 3.368 4.114 0.204 18 0 "[ . 1 . 2]" 1
546 1 40 ILE MD 2 34 LEU QD . . 2.750 1.759 1.656 1.894 . 0 0 "[ . 1 . 2]" 1
547 1 40 ILE QG 1 40 ILE MG . . 2.840 2.219 2.145 2.299 . 0 0 "[ . 1 . 2]" 1
548 1 40 ILE QG 1 41 THR H . . 4.840 4.814 4.738 4.879 0.039 18 0 "[ . 1 . 2]" 1
549 1 40 ILE QG 2 34 LEU QD . . 2.950 3.056 2.953 3.182 0.232 11 0 "[ . 1 . 2]" 1
550 1 40 ILE HG12 1 40 ILE MG . . 3.490 3.222 3.204 3.234 . 0 0 "[ . 1 . 2]" 1
551 1 40 ILE HG12 2 29 ILE MG . . 4.420 4.452 4.348 4.517 0.097 16 0 "[ . 1 . 2]" 1
552 1 40 ILE HG13 1 40 ILE MG . . 3.490 2.262 2.178 2.354 . 0 0 "[ . 1 . 2]" 1
553 1 40 ILE HG13 2 29 ILE MG . . 4.420 4.216 4.009 4.429 0.009 14 0 "[ . 1 . 2]" 1
554 1 40 ILE MG 1 41 THR H . . 3.920 2.958 2.813 3.106 . 0 0 "[ . 1 . 2]" 1
555 1 40 ILE MG 2 31 GLU QB . . 3.930 2.921 2.524 3.231 . 0 0 "[ . 1 . 2]" 1
556 1 40 ILE MG 2 31 GLU HG2 . . 3.880 2.554 2.237 3.022 . 0 0 "[ . 1 . 2]" 1
557 1 40 ILE MG 2 31 GLU QG . . 3.350 2.114 1.936 2.374 . 0 0 "[ . 1 . 2]" 1
558 1 40 ILE MG 2 31 GLU HG3 . . 3.880 2.265 2.083 2.588 . 0 0 "[ . 1 . 2]" 1
559 1 40 ILE MG 2 34 LEU QD . . 2.640 1.817 1.649 1.945 . 0 0 "[ . 1 . 2]" 1
560 1 41 THR H 1 41 THR MG . . 4.150 2.535 2.120 2.917 . 0 0 "[ . 1 . 2]" 1
561 1 41 THR H 1 42 LYS H . . 5.500 4.364 4.229 4.439 . 0 0 "[ . 1 . 2]" 1
562 1 41 THR H 1 43 ARG H . . 5.500 4.531 4.168 5.188 . 0 0 "[ . 1 . 2]" 1
563 1 41 THR H 1 44 GLY H . . 4.780 3.692 3.222 4.273 . 0 0 "[ . 1 . 2]" 1
564 1 41 THR H 1 45 LEU HA . . 4.760 3.432 3.102 3.706 . 0 0 "[ . 1 . 2]" 1
565 1 41 THR H 1 45 LEU QD . . 4.490 4.391 4.033 4.558 0.068 11 0 "[ . 1 . 2]" 1
566 1 41 THR MG 1 42 LYS H . . 4.730 3.540 2.921 3.861 . 0 0 "[ . 1 . 2]" 1
567 1 41 THR MG 1 43 ARG H . . 4.950 3.274 2.094 4.282 . 0 0 "[ . 1 . 2]" 1
568 1 41 THR MG 1 44 GLY H . . 5.130 3.290 1.902 4.676 . 0 0 "[ . 1 . 2]" 1
569 1 41 THR MG 1 46 LYS QB . . 5.500 2.892 2.302 3.856 . 0 0 "[ . 1 . 2]" 1
570 1 42 LYS H 1 42 LYS QD . . 4.800 2.557 1.598 3.977 . 0 0 "[ . 1 . 2]" 1
571 1 42 LYS H 1 42 LYS QE . . 4.310 3.539 1.613 4.350 0.040 3 0 "[ . 1 . 2]" 1
572 1 42 LYS H 1 43 ARG H . . 4.850 2.520 2.164 2.897 . 0 0 "[ . 1 . 2]" 1
573 1 42 LYS H 1 44 GLY H . . 5.490 3.980 3.689 4.174 . 0 0 "[ . 1 . 2]" 1
574 1 42 LYS HA 1 44 GLY H . . 4.150 3.904 3.314 4.222 0.072 20 0 "[ . 1 . 2]" 1
575 1 42 LYS QB 1 43 ARG H . . 5.210 3.678 3.405 3.930 . 0 0 "[ . 1 . 2]" 1
576 1 42 LYS QE 1 43 ARG H . . 4.470 3.407 2.375 4.237 . 0 0 "[ . 1 . 2]" 1
577 1 42 LYS QE 1 44 GLY H . . 5.080 5.168 4.248 5.397 0.317 15 0 "[ . 1 . 2]" 1
578 1 43 ARG H 1 43 ARG QB . . 3.530 2.356 2.203 2.791 . 0 0 "[ . 1 . 2]" 1
579 1 43 ARG H 1 43 ARG QD . . 5.130 4.420 3.779 4.865 . 0 0 "[ . 1 . 2]" 1
580 1 43 ARG H 1 44 GLY H . . 3.810 2.177 1.995 2.391 . 0 0 "[ . 1 . 2]" 1
581 1 43 ARG H 1 44 GLY QA . . 5.340 4.233 4.018 4.382 . 0 0 "[ . 1 . 2]" 1
582 1 43 ARG HA 1 43 ARG QD . . 4.970 3.955 2.856 4.541 . 0 0 "[ . 1 . 2]" 1
583 1 43 ARG QB 1 43 ARG QD . . 3.410 2.242 2.047 2.417 . 0 0 "[ . 1 . 2]" 1
584 1 43 ARG QB 1 44 GLY H . . 4.140 3.115 2.632 3.885 . 0 0 "[ . 1 . 2]" 1
585 1 43 ARG HB2 1 44 GLY H . . 5.010 3.975 2.959 4.382 . 0 0 "[ . 1 . 2]" 1
586 1 43 ARG HB3 1 44 GLY H . . 5.010 3.358 2.686 4.340 . 0 0 "[ . 1 . 2]" 1
587 1 44 GLY H 1 45 LEU H . . 4.880 4.163 3.785 4.436 . 0 0 "[ . 1 . 2]" 1
588 1 44 GLY QA 1 45 LEU QB . . 5.340 3.637 3.533 3.791 . 0 0 "[ . 1 . 2]" 1
589 1 45 LEU H 1 45 LEU QB . . 3.900 2.412 2.273 2.573 . 0 0 "[ . 1 . 2]" 1
590 1 45 LEU H 1 45 LEU MD1 . . 5.500 4.231 3.904 4.465 . 0 0 "[ . 1 . 2]" 1
591 1 45 LEU H 1 45 LEU QD . . 4.170 3.845 3.617 4.042 . 0 0 "[ . 1 . 2]" 1
592 1 45 LEU H 1 45 LEU MD2 . . 5.500 4.423 4.272 4.617 . 0 0 "[ . 1 . 2]" 1
593 1 45 LEU H 1 46 LYS H . . 4.990 4.328 4.177 4.458 . 0 0 "[ . 1 . 2]" 1
594 1 45 LEU H 1 46 LYS HA . . 5.330 4.852 4.602 5.118 . 0 0 "[ . 1 . 2]" 1
595 1 45 LEU HA 1 45 LEU MD1 . . 4.600 2.640 2.128 3.513 . 0 0 "[ . 1 . 2]" 1
596 1 45 LEU HA 1 45 LEU QD . . 3.960 2.205 2.120 2.297 . 0 0 "[ . 1 . 2]" 1
597 1 45 LEU HA 1 45 LEU MD2 . . 4.600 3.376 2.211 4.017 . 0 0 "[ . 1 . 2]" 1
598 1 45 LEU QB 1 46 LYS H . . 4.950 3.748 3.556 3.884 . 0 0 "[ . 1 . 2]" 1
599 1 45 LEU QB 1 46 LYS HA . . 5.500 4.452 4.135 4.798 . 0 0 "[ . 1 . 2]" 1
600 1 45 LEU QD 1 46 LYS H . . 4.200 2.271 1.953 2.566 . 0 0 "[ . 1 . 2]" 1
601 1 45 LEU QD 1 47 VAL HA . . 4.170 3.967 3.525 4.200 0.030 10 0 "[ . 1 . 2]" 1
602 1 45 LEU QD 1 47 VAL HB . . 4.460 3.069 2.359 4.237 . 0 0 "[ . 1 . 2]" 1
603 1 45 LEU QD 2 11 CYS HA . . 4.440 4.631 4.557 4.742 0.302 20 0 "[ . 1 . 2]" 1
604 1 45 LEU QD 2 34 LEU QD . . 2.560 2.389 1.976 2.614 0.054 9 0 "[ . 1 . 2]" 1
605 1 45 LEU QD 2 48 CYS H . . 5.340 4.018 3.432 4.688 . 0 0 "[ . 1 . 2]" 1
606 1 45 LEU QD 2 49 ALA H . . 4.450 3.780 3.397 4.485 0.035 4 0 "[ . 1 . 2]" 1
607 1 45 LEU QD 2 49 ALA HA . . 5.000 2.977 2.359 4.263 . 0 0 "[ . 1 . 2]" 1
608 1 45 LEU QD 2 49 ALA MB . . 2.880 1.964 1.678 2.492 . 0 0 "[ . 1 . 2]" 1
609 1 45 LEU QD 2 50 ASP H . . 5.440 4.474 3.956 5.490 0.050 4 0 "[ . 1 . 2]" 1
610 1 45 LEU MD1 1 46 LYS H . . 4.850 2.670 1.956 3.431 . 0 0 "[ . 1 . 2]" 1
611 1 45 LEU MD2 1 46 LYS H . . 4.850 3.665 2.062 4.770 . 0 0 "[ . 1 . 2]" 1
612 1 45 LEU HG 1 46 LYS H . . 5.410 3.627 2.693 4.984 . 0 0 "[ . 1 . 2]" 1
613 1 45 LEU HG 2 49 ALA HA . . 5.500 4.859 3.175 5.607 0.107 2 0 "[ . 1 . 2]" 1
614 1 46 LYS HA 1 46 LYS QD . . 4.650 3.370 2.252 3.924 . 0 0 "[ . 1 . 2]" 1
615 1 46 LYS HA 1 46 LYS QE . . 5.430 4.559 4.107 4.906 . 0 0 "[ . 1 . 2]" 1
616 1 46 LYS QB 1 46 LYS QE . . 4.390 3.628 3.513 3.875 . 0 0 "[ . 1 . 2]" 1
617 1 46 LYS QD 1 46 LYS QG . . 2.400 2.050 2.024 2.080 . 0 0 "[ . 1 . 2]" 1
618 1 46 LYS QD 1 47 VAL H . . 4.120 3.676 2.357 4.239 0.119 19 0 "[ . 1 . 2]" 1
619 1 46 LYS QE 1 47 VAL H . . 5.450 4.114 3.779 4.562 . 0 0 "[ . 1 . 2]" 1
620 1 47 VAL H 1 47 VAL QG . . 3.940 2.250 2.093 2.345 . 0 0 "[ . 1 . 2]" 1
621 1 47 VAL H 1 48 CYS H . . 5.100 4.319 4.256 4.408 . 0 0 "[ . 1 . 2]" 1
622 1 47 VAL HB 1 48 CYS H . . 5.090 4.035 2.869 4.133 . 0 0 "[ . 1 . 2]" 1
623 1 47 VAL QG 1 48 CYS H . . 3.850 2.423 2.344 3.331 . 0 0 "[ . 1 . 2]" 1
624 1 47 VAL QG 1 48 CYS HA . . 5.110 3.228 3.085 3.544 . 0 0 "[ . 1 . 2]" 1
625 1 47 VAL QG 1 49 ALA MB . . 3.820 3.497 2.937 3.907 0.087 18 0 "[ . 1 . 2]" 1
626 1 48 CYS H 1 49 ALA H . . 4.950 4.333 4.239 4.441 . 0 0 "[ . 1 . 2]" 1
627 1 48 CYS H 1 49 ALA HA . . 5.500 4.743 4.453 4.858 . 0 0 "[ . 1 . 2]" 1
628 1 48 CYS H 2 38 ILE MD . . 5.500 5.550 5.363 5.601 0.101 4 0 "[ . 1 . 2]" 1
629 1 48 CYS H 2 45 LEU QD . . 5.340 4.190 3.680 5.244 . 0 0 "[ . 1 . 2]" 1
630 1 48 CYS HA 1 49 ALA MB . . 5.330 3.853 3.785 3.906 . 0 0 "[ . 1 . 2]" 1
631 1 48 CYS QB 1 49 ALA H . . 4.150 2.972 2.705 3.702 . 0 0 "[ . 1 . 2]" 1
632 1 49 ALA H 1 50 ASP H . . 5.240 4.238 4.146 4.320 . 0 0 "[ . 1 . 2]" 1
633 1 49 ALA H 1 50 ASP QB . . 5.340 4.946 4.480 5.275 . 0 0 "[ . 1 . 2]" 1
634 1 49 ALA H 2 45 LEU QD . . 4.450 3.830 3.425 4.468 0.018 17 0 "[ . 1 . 2]" 1
635 1 49 ALA HA 1 50 ASP H . . 3.560 2.111 2.031 2.177 . 0 0 "[ . 1 . 2]" 1
636 1 49 ALA HA 2 45 LEU QD . . 5.000 3.058 2.436 4.359 . 0 0 "[ . 1 . 2]" 1
637 1 49 ALA HA 2 45 LEU HG . . 5.500 4.768 3.034 5.591 0.091 1 0 "[ . 1 . 2]" 1
638 1 49 ALA MB 1 50 ASP H . . 3.840 3.131 3.052 3.205 . 0 0 "[ . 1 . 2]" 1
639 1 49 ALA MB 1 50 ASP HA . . 5.380 4.071 3.957 4.237 . 0 0 "[ . 1 . 2]" 1
640 1 49 ALA MB 2 45 LEU QD . . 2.880 1.985 1.731 2.527 . 0 0 "[ . 1 . 2]" 1
641 1 50 ASP H 1 50 ASP HB2 . . 4.190 3.026 2.804 3.178 . 0 0 "[ . 1 . 2]" 1
642 1 50 ASP H 1 50 ASP QB . . 3.670 2.443 2.319 2.597 . 0 0 "[ . 1 . 2]" 1
643 1 50 ASP H 1 50 ASP HB3 . . 4.190 2.585 2.466 2.766 . 0 0 "[ . 1 . 2]" 1
644 1 50 ASP H 1 51 PRO QD . . 5.020 3.731 3.230 4.212 . 0 0 "[ . 1 . 2]" 1
645 1 50 ASP H 2 45 LEU QD . . 5.440 4.520 3.998 5.449 0.009 11 0 "[ . 1 . 2]" 1
646 1 50 ASP QB 1 51 PRO QD . . 5.180 3.724 3.516 3.825 . 0 0 "[ . 1 . 2]" 1
647 1 51 PRO HA 1 52 GLN QB . . 5.500 4.439 4.280 4.590 . 0 0 "[ . 1 . 2]" 1
648 1 51 PRO HA 1 52 GLN QG . . 4.660 3.514 3.109 4.595 . 0 0 "[ . 1 . 2]" 1
649 1 51 PRO HA 2 19 LEU QD . . 5.310 5.282 4.272 5.504 0.194 14 0 "[ . 1 . 2]" 1
650 1 51 PRO QD 2 16 THR MG . . 4.810 3.312 2.837 4.867 0.057 8 0 "[ . 1 . 2]" 1
651 1 52 GLN H 1 52 GLN QG . . 4.100 2.413 1.731 2.950 . 0 0 "[ . 1 . 2]" 1
652 1 52 GLN H 1 53 ALA MB . . 5.420 4.799 4.097 5.586 0.166 6 0 "[ . 1 . 2]" 1
653 1 52 GLN H 2 19 LEU QD . . 5.440 4.474 3.611 5.010 . 0 0 "[ . 1 . 2]" 1
654 1 52 GLN HA 1 53 ALA MB . . 5.500 4.239 3.808 4.763 . 0 0 "[ . 1 . 2]" 1
655 1 52 GLN QB 1 53 ALA HA . . 5.500 4.290 3.699 4.716 . 0 0 "[ . 1 . 2]" 1
656 1 52 GLN QB 2 19 LEU QD . . 5.440 3.681 1.940 4.353 . 0 0 "[ . 1 . 2]" 1
657 1 52 GLN QG 1 53 ALA H . . 5.500 4.136 1.837 4.658 . 0 0 "[ . 1 . 2]" 1
658 1 52 GLN QG 2 18 ARG QB . . 5.020 4.944 3.036 5.219 0.199 5 0 "[ . 1 . 2]" 1
659 1 53 ALA MB 1 54 THR H . . 5.020 2.285 1.816 3.576 . 0 0 "[ . 1 . 2]" 1
660 1 53 ALA MB 1 54 THR HA . . 4.830 4.179 3.846 4.940 0.110 10 0 "[ . 1 . 2]" 1
661 1 53 ALA MB 1 55 TRP H . . 5.500 4.037 2.340 5.602 0.102 1 0 "[ . 1 . 2]" 1
662 1 54 THR HB 1 55 TRP QB . . 5.300 4.154 3.533 5.387 0.087 2 0 "[ . 1 . 2]" 1
663 1 55 TRP H 1 55 TRP HD1 . . 4.800 3.887 1.901 5.027 0.227 5 0 "[ . 1 . 2]" 1
664 1 55 TRP HA 1 56 VAL HA . . 5.500 4.352 4.237 4.541 . 0 0 "[ . 1 . 2]" 1
665 1 55 TRP QB 1 56 VAL QG . . 4.960 4.221 3.136 4.883 . 0 0 "[ . 1 . 2]" 1
666 1 57 ARG QG 1 58 ASP H . . 4.200 3.196 1.775 4.208 0.008 15 0 "[ . 1 . 2]" 1
667 1 57 ARG QG 1 59 VAL H . . 5.200 4.282 2.260 5.372 0.172 15 0 "[ . 1 . 2]" 1
668 1 58 ASP H 1 59 VAL H . . 4.830 3.755 2.125 4.564 . 0 0 "[ . 1 . 2]" 1
669 1 58 ASP HA 1 59 VAL H . . 3.460 2.478 1.985 3.507 0.047 8 0 "[ . 1 . 2]" 1
670 1 58 ASP QB 1 59 VAL H . . 4.220 3.437 1.987 4.029 . 0 0 "[ . 1 . 2]" 1
671 1 59 VAL H 1 59 VAL HB . . 3.660 3.157 2.492 3.735 0.075 2 0 "[ . 1 . 2]" 1
672 1 59 VAL HA 1 60 VAL H . . 3.420 2.503 2.053 3.451 0.031 7 0 "[ . 1 . 2]" 1
673 1 59 VAL QG 1 60 VAL H . . 3.750 2.971 2.090 3.634 . 0 0 "[ . 1 . 2]" 1
674 1 60 VAL H 1 60 VAL HB . . 3.630 3.034 2.521 3.692 0.062 16 0 "[ . 1 . 2]" 1
675 2 5 VAL HA 2 5 VAL QG . . 3.030 2.266 2.145 2.385 . 0 0 "[ . 1 . 2]" 1
676 2 6 SER QB 2 7 ASP H . . 5.500 2.983 2.009 4.024 . 0 0 "[ . 1 . 2]" 1
677 2 8 LYS H 2 8 LYS QG . . 4.360 3.270 1.929 4.341 . 0 0 "[ . 1 . 2]" 1
678 2 8 LYS HA 2 8 LYS QE . . 5.500 4.435 3.784 5.451 . 0 0 "[ . 1 . 2]" 1
679 2 8 LYS HA 2 9 ARG QG . . 3.730 3.800 3.466 4.156 0.426 3 0 "[ . 1 . 2]" 1
680 2 8 LYS QB 2 8 LYS QD . . 2.550 2.224 2.091 2.367 . 0 0 "[ . 1 . 2]" 1
681 2 8 LYS QB 2 8 LYS QE . . 3.820 2.917 1.912 3.827 0.007 6 0 "[ . 1 . 2]" 1
682 2 8 LYS QB 2 9 ARG HA . . 5.340 4.506 4.116 5.423 0.083 2 0 "[ . 1 . 2]" 1
683 2 8 LYS HB2 2 8 LYS QD . . 3.050 2.604 2.184 3.060 0.010 5 0 "[ . 1 . 2]" 1
684 2 8 LYS HB3 2 8 LYS QD . . 3.050 2.507 2.308 3.218 0.168 6 0 "[ . 1 . 2]" 1
685 2 9 ARG HA 2 9 ARG QD . . 4.100 4.045 3.268 4.300 0.200 8 0 "[ . 1 . 2]" 1
686 2 9 ARG HA 2 9 ARG QG . . 4.000 2.774 2.239 3.474 . 0 0 "[ . 1 . 2]" 1
687 2 9 ARG HA 2 49 ALA H . . 5.200 4.396 4.003 4.825 . 0 0 "[ . 1 . 2]" 1
688 2 9 ARG HA 2 50 ASP H . . 5.500 5.159 4.704 5.598 0.098 15 0 "[ . 1 . 2]" 1
689 2 9 ARG HA 2 50 ASP HA . . 5.280 3.129 2.298 3.601 . 0 0 "[ . 1 . 2]" 1
690 2 9 ARG QB 2 10 THR H . . 4.420 3.354 3.032 3.663 . 0 0 "[ . 1 . 2]" 1
691 2 9 ARG QB 2 10 THR MG . . 5.090 4.934 4.679 5.243 0.153 3 0 "[ . 1 . 2]" 1
692 2 9 ARG QB 2 48 CYS HA . . 5.500 4.951 4.411 5.496 . 0 0 "[ . 1 . 2]" 1
693 2 9 ARG QB 2 49 ALA H . . 5.280 3.774 3.432 4.128 . 0 0 "[ . 1 . 2]" 1
694 2 9 ARG QB 2 50 ASP H . . 4.770 4.673 4.254 4.939 0.169 3 0 "[ . 1 . 2]" 1
695 2 9 ARG QB 2 50 ASP HA . . 5.500 2.926 2.007 3.658 . 0 0 "[ . 1 . 2]" 1
696 2 9 ARG QG 2 10 THR H . . 4.780 4.313 4.074 4.629 . 0 0 "[ . 1 . 2]" 1
697 2 9 ARG QG 2 49 ALA H . . 5.390 5.242 4.799 5.553 0.163 11 0 "[ . 1 . 2]" 1
698 2 9 ARG QG 2 50 ASP HA . . 5.500 2.867 1.897 4.624 . 0 0 "[ . 1 . 2]" 1
699 2 10 THR H 2 49 ALA H . . 4.950 3.533 3.142 3.862 . 0 0 "[ . 1 . 2]" 1
700 2 10 THR H 2 49 ALA HA . . 5.500 5.293 4.904 5.555 0.055 4 0 "[ . 1 . 2]" 1
701 2 10 THR HB 2 11 CYS H . . 5.220 3.275 2.702 4.268 . 0 0 "[ . 1 . 2]" 1
702 2 10 THR HB 2 49 ALA H . . 5.170 4.950 4.193 5.220 0.050 14 0 "[ . 1 . 2]" 1
703 2 11 CYS CB 2 48 CYS SG . . 3.100 3.036 3.006 3.124 0.024 4 0 "[ . 1 . 2]" 1
704 2 11 CYS H 2 12 VAL H . . 5.410 4.303 4.223 4.364 . 0 0 "[ . 1 . 2]" 1
705 2 11 CYS H 2 47 VAL QG . . 5.440 5.306 4.971 5.520 0.080 18 0 "[ . 1 . 2]" 1
706 2 11 CYS H 2 49 ALA H . . 5.500 4.773 4.496 4.888 . 0 0 "[ . 1 . 2]" 1
707 2 11 CYS H 2 49 ALA MB . . 5.500 5.397 5.192 5.522 0.022 1 0 "[ . 1 . 2]" 1
708 2 11 CYS HA 2 47 VAL H . . 5.500 4.548 4.294 4.917 . 0 0 "[ . 1 . 2]" 1
709 2 11 CYS HA 2 47 VAL QG . . 5.100 3.158 2.822 3.389 . 0 0 "[ . 1 . 2]" 1
710 2 11 CYS HA 2 48 CYS H . . 5.390 4.627 4.515 4.745 . 0 0 "[ . 1 . 2]" 1
711 2 11 CYS HA 2 48 CYS HA . . 4.350 2.169 2.020 2.262 . 0 0 "[ . 1 . 2]" 1
712 2 11 CYS HA 2 48 CYS QB . . 5.500 4.114 3.971 4.299 . 0 0 "[ . 1 . 2]" 1
713 2 11 CYS HA 2 49 ALA H . . 4.260 3.248 3.052 3.337 . 0 0 "[ . 1 . 2]" 1
714 2 11 CYS QB 2 12 VAL H . . 3.980 2.732 2.599 2.915 . 0 0 "[ . 1 . 2]" 1
715 2 11 CYS QB 2 49 ALA H . . 4.780 4.458 3.605 4.694 . 0 0 "[ . 1 . 2]" 1
716 2 11 CYS HB2 2 12 VAL H . . 4.610 3.792 3.705 3.855 . 0 0 "[ . 1 . 2]" 1
717 2 11 CYS HB2 2 46 LYS QG . . 5.060 4.598 4.051 5.137 0.077 1 0 "[ . 1 . 2]" 1
718 2 11 CYS HB2 2 48 CYS HA . . 5.500 4.146 3.461 4.391 . 0 0 "[ . 1 . 2]" 1
719 2 11 CYS HB2 2 49 ALA H . . 5.500 5.288 4.529 5.513 0.013 12 0 "[ . 1 . 2]" 1
720 2 11 CYS HB3 2 12 VAL H . . 4.610 2.803 2.654 3.017 . 0 0 "[ . 1 . 2]" 1
721 2 11 CYS HB3 2 46 LYS QG . . 5.060 3.368 2.835 4.242 . 0 0 "[ . 1 . 2]" 1
722 2 11 CYS HB3 2 48 CYS HA . . 5.500 3.091 2.074 3.420 . 0 0 "[ . 1 . 2]" 1
723 2 11 CYS HB3 2 49 ALA H . . 5.500 4.806 3.786 5.108 . 0 0 "[ . 1 . 2]" 1
724 2 11 CYS SG 2 48 CYS CB . . 3.100 2.997 2.970 3.067 . 0 0 "[ . 1 . 2]" 1
725 2 11 CYS SG 2 48 CYS SG . . 2.100 2.029 2.025 2.034 . 0 0 "[ . 1 . 2]" 1
726 2 12 VAL H 2 12 VAL QG . . 3.980 2.914 2.349 3.107 . 0 0 "[ . 1 . 2]" 1
727 2 12 VAL H 2 13 SER H . . 5.160 4.362 4.265 4.448 . 0 0 "[ . 1 . 2]" 1
728 2 12 VAL H 2 46 LYS HA . . 5.250 4.524 4.355 4.787 . 0 0 "[ . 1 . 2]" 1
729 2 12 VAL H 2 46 LYS QD . . 4.860 4.429 3.354 4.944 0.084 10 0 "[ . 1 . 2]" 1
730 2 12 VAL H 2 46 LYS QE . . 5.270 3.797 3.380 4.761 . 0 0 "[ . 1 . 2]" 1
731 2 12 VAL H 2 46 LYS QG . . 4.980 3.663 3.090 4.937 . 0 0 "[ . 1 . 2]" 1
732 2 12 VAL H 2 47 VAL HB . . 5.080 4.840 4.608 5.076 . 0 0 "[ . 1 . 2]" 1
733 2 12 VAL H 2 48 CYS HA . . 4.490 3.708 3.462 3.872 . 0 0 "[ . 1 . 2]" 1
734 2 12 VAL H 2 49 ALA H . . 5.190 5.271 5.165 5.324 0.134 11 0 "[ . 1 . 2]" 1
735 2 12 VAL HA 2 13 SER QB . . 4.490 4.290 3.760 4.497 0.007 13 0 "[ . 1 . 2]" 1
736 2 12 VAL HA 2 46 LYS QD . . 4.890 4.685 3.883 4.996 0.106 15 0 "[ . 1 . 2]" 1
737 2 12 VAL HB 2 13 SER H . . 4.540 3.943 2.548 4.153 . 0 0 "[ . 1 . 2]" 1
738 2 12 VAL QG 2 13 SER H . . 4.250 2.373 2.079 3.180 . 0 0 "[ . 1 . 2]" 1
739 2 12 VAL QG 2 13 SER QB . . 4.370 4.123 3.708 4.417 0.047 10 0 "[ . 1 . 2]" 1
740 2 13 SER H 2 14 LEU H . . 4.620 4.350 4.279 4.436 . 0 0 "[ . 1 . 2]" 1
741 2 13 SER H 2 46 LYS HA . . 4.960 4.680 4.572 4.817 . 0 0 "[ . 1 . 2]" 1
742 2 13 SER H 2 46 LYS QG . . 5.500 4.415 3.748 5.588 0.088 17 0 "[ . 1 . 2]" 1
743 2 13 SER QB 2 14 LEU H . . 4.280 3.251 2.826 3.789 . 0 0 "[ . 1 . 2]" 1
744 2 13 SER QB 2 15 THR MG . . 4.990 4.216 2.841 5.185 0.195 13 0 "[ . 1 . 2]" 1
745 2 13 SER QB 2 45 LEU H . . 5.500 4.997 4.400 5.546 0.046 14 0 "[ . 1 . 2]" 1
746 2 13 SER QB 2 46 LYS QB . . 5.130 2.831 2.270 3.369 . 0 0 "[ . 1 . 2]" 1
747 2 13 SER QB 2 46 LYS QD . . 4.480 2.293 1.848 4.102 . 0 0 "[ . 1 . 2]" 1
748 2 13 SER QB 2 46 LYS QE . . 5.500 3.674 3.012 5.028 . 0 0 "[ . 1 . 2]" 1
749 2 13 SER QB 2 47 VAL H . . 5.260 4.684 4.259 4.954 . 0 0 "[ . 1 . 2]" 1
750 2 14 LEU H 2 14 LEU QD . . 4.600 2.653 1.896 3.544 . 0 0 "[ . 1 . 2]" 1
751 2 14 LEU H 2 14 LEU HG . . 4.490 3.516 2.250 4.341 . 0 0 "[ . 1 . 2]" 1
752 2 14 LEU H 2 45 LEU H . . 4.880 3.100 2.724 3.472 . 0 0 "[ . 1 . 2]" 1
753 2 14 LEU H 2 45 LEU QB . . 5.500 3.546 3.074 3.937 . 0 0 "[ . 1 . 2]" 1
754 2 14 LEU H 2 46 LYS H . . 4.970 4.704 4.584 4.880 . 0 0 "[ . 1 . 2]" 1
755 2 14 LEU H 2 46 LYS HA . . 3.740 3.160 2.890 3.472 . 0 0 "[ . 1 . 2]" 1
756 2 14 LEU QB 2 45 LEU H . . 4.630 3.247 2.471 4.665 0.035 1 0 "[ . 1 . 2]" 1
757 2 14 LEU QD 2 16 THR H . . 5.440 5.328 3.865 5.600 0.160 3 0 "[ . 1 . 2]" 1
758 2 14 LEU QD 2 46 LYS HA . . 5.130 3.750 2.729 5.160 0.030 12 0 "[ . 1 . 2]" 1
759 2 15 THR HB 2 16 THR H . . 4.910 3.646 2.897 4.230 . 0 0 "[ . 1 . 2]" 1
760 2 15 THR MG 2 16 THR H . . 4.940 3.927 2.888 4.257 . 0 0 "[ . 1 . 2]" 1
761 2 16 THR H 2 44 GLY HA2 . . 5.500 3.541 2.526 4.769 . 0 0 "[ . 1 . 2]" 1
762 2 16 THR H 2 44 GLY QA . . 4.810 2.943 2.465 3.625 . 0 0 "[ . 1 . 2]" 1
763 2 16 THR H 2 44 GLY HA3 . . 5.500 3.321 2.633 3.956 . 0 0 "[ . 1 . 2]" 1
764 2 16 THR H 2 45 LEU H . . 4.480 4.339 3.544 4.538 0.058 12 0 "[ . 1 . 2]" 1
765 2 16 THR HB 2 17 GLN H . . 4.230 3.693 2.680 4.286 0.056 19 0 "[ . 1 . 2]" 1
766 2 16 THR MG 2 17 GLN H . . 4.810 3.166 2.049 4.267 . 0 0 "[ . 1 . 2]" 1
767 2 16 THR MG 2 18 ARG QB . . 5.500 3.772 2.433 5.528 0.028 19 0 "[ . 1 . 2]" 1
768 2 16 THR MG 2 44 GLY QA . . 4.830 3.237 2.095 4.620 . 0 0 "[ . 1 . 2]" 1
769 2 16 THR MG 2 45 LEU QB . . 4.820 3.628 2.843 4.880 0.060 14 0 "[ . 1 . 2]" 1
770 2 17 GLN H 2 18 ARG QB . . 5.210 5.030 4.444 5.488 0.278 8 0 "[ . 1 . 2]" 1
771 2 17 GLN QB 2 17 GLN QG . . 2.420 2.033 1.986 2.094 . 0 0 "[ . 1 . 2]" 1
772 2 17 GLN QB 2 18 ARG H . . 4.180 3.865 3.300 4.056 . 0 0 "[ . 1 . 2]" 1
773 2 17 GLN QG 2 18 ARG H . . 4.690 3.864 3.058 4.546 . 0 0 "[ . 1 . 2]" 1
774 2 17 GLN QG 2 18 ARG HA . . 4.200 4.048 3.731 4.277 0.077 16 0 "[ . 1 . 2]" 1
775 2 17 GLN QG 2 18 ARG QB . . 5.490 5.090 4.604 5.535 0.045 17 0 "[ . 1 . 2]" 1
776 2 18 ARG H 2 18 ARG QB . . 3.550 2.581 2.189 3.238 . 0 0 "[ . 1 . 2]" 1
777 2 18 ARG H 2 18 ARG QD . . 5.340 4.039 1.825 4.802 . 0 0 "[ . 1 . 2]" 1
778 2 18 ARG H 2 19 LEU H . . 5.080 4.312 4.022 4.425 . 0 0 "[ . 1 . 2]" 1
779 2 18 ARG HA 2 18 ARG QD . . 3.800 2.822 2.044 3.966 0.166 1 0 "[ . 1 . 2]" 1
780 2 18 ARG HA 2 19 LEU QB . . 5.200 4.390 4.161 4.579 . 0 0 "[ . 1 . 2]" 1
781 2 18 ARG HA 2 19 LEU QD . . 5.400 3.148 2.545 4.116 . 0 0 "[ . 1 . 2]" 1
782 2 18 ARG HA 2 19 LEU HG . . 5.500 4.791 3.478 5.555 0.055 3 0 "[ . 1 . 2]" 1
783 2 18 ARG QB 2 18 ARG QD . . 3.150 2.515 2.175 2.948 . 0 0 "[ . 1 . 2]" 1
784 2 18 ARG QB 2 19 LEU H . . 4.300 3.047 2.502 3.816 . 0 0 "[ . 1 . 2]" 1
785 2 18 ARG QB 2 19 LEU HA . . 5.470 4.516 4.125 5.059 . 0 0 "[ . 1 . 2]" 1
786 2 18 ARG QB 2 19 LEU QD . . 4.470 3.865 2.550 4.583 0.113 14 0 "[ . 1 . 2]" 1
787 2 18 ARG QB 2 44 GLY H . . 5.000 3.848 2.985 5.000 0.000 11 0 "[ . 1 . 2]" 1
788 2 18 ARG QD 2 19 LEU H . . 5.500 3.519 1.806 5.198 . 0 0 "[ . 1 . 2]" 1
789 2 18 ARG QD 2 44 GLY H . . 5.500 4.404 2.809 5.025 . 0 0 "[ . 1 . 2]" 1
790 2 18 ARG QG 2 44 GLY H . . 5.040 3.261 2.325 5.134 0.094 17 0 "[ . 1 . 2]" 1
791 2 18 ARG QG 2 44 GLY QA . . 5.170 2.068 1.821 2.751 . 0 0 "[ . 1 . 2]" 1
792 2 18 ARG QG 2 45 LEU H . . 4.550 4.436 3.823 4.667 0.117 13 0 "[ . 1 . 2]" 1
793 2 19 LEU H 2 19 LEU MD1 . . 5.310 2.968 1.743 3.945 . 0 0 "[ . 1 . 2]" 1
794 2 19 LEU H 2 19 LEU QD . . 4.670 2.021 1.602 3.018 . 0 0 "[ . 1 . 2]" 1
795 2 19 LEU H 2 19 LEU MD2 . . 5.310 2.795 1.603 4.054 . 0 0 "[ . 1 . 2]" 1
796 2 19 LEU H 2 19 LEU HG . . 5.500 3.087 1.804 3.918 . 0 0 "[ . 1 . 2]" 1
797 2 19 LEU HA 2 19 LEU QD . . 4.130 2.986 2.099 3.418 . 0 0 "[ . 1 . 2]" 1
798 2 19 LEU QB 2 20 PRO QD . . 4.210 2.235 1.882 2.947 . 0 0 "[ . 1 . 2]" 1
799 2 19 LEU QD 2 20 PRO QD . . 3.960 3.370 2.882 3.931 . 0 0 "[ . 1 . 2]" 1
800 2 19 LEU QD 2 20 PRO QG . . 4.920 4.550 3.869 4.944 0.024 17 0 "[ . 1 . 2]" 1
801 2 20 PRO HA 2 21 VAL HB . . 4.980 4.462 4.314 4.609 . 0 0 "[ . 1 . 2]" 1
802 2 20 PRO HA 2 21 VAL QG . . 4.770 3.565 3.410 3.652 . 0 0 "[ . 1 . 2]" 1
803 2 20 PRO HD2 2 21 VAL H . . 5.470 5.490 5.268 5.559 0.089 1 0 "[ . 1 . 2]" 1
804 2 20 PRO HD3 2 21 VAL H . . 5.470 5.494 5.402 5.579 0.109 14 0 "[ . 1 . 2]" 1
805 2 20 PRO QG 2 21 VAL H . . 4.870 4.538 4.381 4.714 . 0 0 "[ . 1 . 2]" 1
806 2 21 VAL H 2 21 VAL MG1 . . 4.030 2.987 2.093 3.958 . 0 0 "[ . 1 . 2]" 1
807 2 21 VAL H 2 21 VAL QG . . 3.410 2.459 2.085 2.844 . 0 0 "[ . 1 . 2]" 1
808 2 21 VAL H 2 21 VAL MG2 . . 4.030 3.412 2.496 3.953 . 0 0 "[ . 1 . 2]" 1
809 2 21 VAL H 2 42 LYS H . . 5.500 4.418 3.637 5.539 0.039 16 0 "[ . 1 . 2]" 1
810 2 21 VAL QG 2 41 THR HA . . 4.950 3.290 2.361 4.647 . 0 0 "[ . 1 . 2]" 1
811 2 21 VAL QG 2 42 LYS H . . 5.380 3.496 2.595 4.657 . 0 0 "[ . 1 . 2]" 1
812 2 21 VAL QG 2 43 ARG H . . 5.440 4.875 4.403 5.443 0.003 4 0 "[ . 1 . 2]" 1
813 2 23 ARG H 2 24 ILE H . . 4.790 4.423 4.276 4.530 . 0 0 "[ . 1 . 2]" 1
814 2 23 ARG HA 2 23 ARG QD . . 3.710 2.995 1.933 3.864 0.154 1 0 "[ . 1 . 2]" 1
815 2 23 ARG HA 2 24 ILE H . . 3.370 2.232 2.120 2.399 . 0 0 "[ . 1 . 2]" 1
816 2 23 ARG QB 2 23 ARG QD . . 3.320 2.292 2.009 2.809 . 0 0 "[ . 1 . 2]" 1
817 2 23 ARG QB 2 24 ILE QG . . 5.180 4.870 4.451 5.188 0.008 2 0 "[ . 1 . 2]" 1
818 2 23 ARG QD 2 24 ILE H . . 5.430 4.036 2.298 4.907 . 0 0 "[ . 1 . 2]" 1
819 2 24 ILE H 2 24 ILE HB . . 3.480 2.494 2.443 2.546 . 0 0 "[ . 1 . 2]" 1
820 2 24 ILE H 2 24 ILE MD . . 4.010 3.382 3.181 3.676 . 0 0 "[ . 1 . 2]" 1
821 2 24 ILE H 2 24 ILE HG12 . . 4.810 2.398 2.169 2.638 . 0 0 "[ . 1 . 2]" 1
822 2 24 ILE H 2 24 ILE QG . . 4.090 2.373 2.153 2.599 . 0 0 "[ . 1 . 2]" 1
823 2 24 ILE H 2 24 ILE HG13 . . 4.810 3.799 3.631 3.948 . 0 0 "[ . 1 . 2]" 1
824 2 24 ILE H 2 24 ILE MG . . 4.610 3.784 3.754 3.810 . 0 0 "[ . 1 . 2]" 1
825 2 24 ILE H 2 25 LYS H . . 4.990 4.383 4.260 4.539 . 0 0 "[ . 1 . 2]" 1
826 2 24 ILE H 2 25 LYS QD . . 4.600 4.451 3.864 4.674 0.074 16 0 "[ . 1 . 2]" 1
827 2 24 ILE HA 2 24 ILE MD . . 3.540 2.089 2.034 2.143 . 0 0 "[ . 1 . 2]" 1
828 2 24 ILE HA 2 24 ILE QG . . 3.710 2.997 2.928 3.051 . 0 0 "[ . 1 . 2]" 1
829 2 24 ILE HA 2 24 ILE MG . . 3.570 2.440 2.398 2.483 . 0 0 "[ . 1 . 2]" 1
830 2 24 ILE HA 2 25 LYS H . . 3.400 2.134 2.074 2.240 . 0 0 "[ . 1 . 2]" 1
831 2 24 ILE HA 2 25 LYS QB . . 5.500 4.474 4.281 4.571 . 0 0 "[ . 1 . 2]" 1
832 2 24 ILE HA 2 40 ILE H . . 5.360 4.533 4.231 4.983 . 0 0 "[ . 1 . 2]" 1
833 2 24 ILE HA 2 40 ILE HB . . 5.500 3.947 3.694 4.287 . 0 0 "[ . 1 . 2]" 1
834 2 24 ILE HB 2 24 ILE MD . . 3.420 3.247 3.234 3.259 . 0 0 "[ . 1 . 2]" 1
835 2 24 ILE HB 2 25 LYS H . . 5.180 4.205 4.028 4.292 . 0 0 "[ . 1 . 2]" 1
836 2 24 ILE HB 2 25 LYS HA . . 5.500 4.801 4.632 4.934 . 0 0 "[ . 1 . 2]" 1
837 2 24 ILE MD 2 24 ILE MG . . 2.400 2.055 2.001 2.116 . 0 0 "[ . 1 . 2]" 1
838 2 24 ILE MD 2 25 LYS H . . 3.880 3.764 3.578 3.857 . 0 0 "[ . 1 . 2]" 1
839 2 24 ILE MD 2 39 PHE QB . . 5.260 4.323 3.255 4.957 . 0 0 "[ . 1 . 2]" 1
840 2 24 ILE MD 2 40 ILE HA . . 5.500 5.280 5.014 5.521 0.021 19 0 "[ . 1 . 2]" 1
841 2 24 ILE MD 2 42 LYS H . . 5.500 3.149 2.449 3.829 . 0 0 "[ . 1 . 2]" 1
842 2 24 ILE QG 2 24 ILE MG . . 3.080 2.297 2.276 2.327 . 0 0 "[ . 1 . 2]" 1
843 2 24 ILE QG 2 25 LYS H . . 5.320 4.720 4.579 4.789 . 0 0 "[ . 1 . 2]" 1
844 2 24 ILE QG 2 41 THR HA . . 5.130 4.358 3.967 4.980 . 0 0 "[ . 1 . 2]" 1
845 2 24 ILE HG12 2 24 ILE MG . . 3.700 3.219 3.208 3.234 . 0 0 "[ . 1 . 2]" 1
846 2 24 ILE HG13 2 24 ILE MG . . 3.700 2.352 2.328 2.388 . 0 0 "[ . 1 . 2]" 1
847 2 24 ILE MG 2 25 LYS H . . 4.320 2.834 2.533 3.017 . 0 0 "[ . 1 . 2]" 1
848 2 24 ILE MG 2 26 THR HA . . 5.500 4.361 3.746 4.719 . 0 0 "[ . 1 . 2]" 1
849 2 24 ILE MG 2 26 THR HB . . 5.300 5.219 4.834 5.351 0.051 7 0 "[ . 1 . 2]" 1
850 2 24 ILE MG 2 39 PHE HA . . 4.810 3.567 2.886 4.125 . 0 0 "[ . 1 . 2]" 1
851 2 24 ILE MG 2 39 PHE QB . . 4.890 2.883 2.154 3.748 . 0 0 "[ . 1 . 2]" 1
852 2 24 ILE MG 2 40 ILE H . . 4.900 3.359 2.894 3.923 . 0 0 "[ . 1 . 2]" 1
853 2 25 LYS H 2 25 LYS QB . . 3.800 2.572 2.463 2.692 . 0 0 "[ . 1 . 2]" 1
854 2 25 LYS H 2 26 THR H . . 4.690 4.464 4.387 4.542 . 0 0 "[ . 1 . 2]" 1
855 2 25 LYS H 2 39 PHE HA . . 5.170 4.579 4.253 4.914 . 0 0 "[ . 1 . 2]" 1
856 2 25 LYS H 2 40 ILE H . . 4.610 3.014 2.736 3.226 . 0 0 "[ . 1 . 2]" 1
857 2 25 LYS H 2 40 ILE HB . . 4.350 2.278 2.001 2.543 . 0 0 "[ . 1 . 2]" 1
858 2 25 LYS H 2 40 ILE QG . . 4.390 3.845 3.683 4.027 . 0 0 "[ . 1 . 2]" 1
859 2 25 LYS H 2 40 ILE MG . . 4.940 3.534 3.116 3.841 . 0 0 "[ . 1 . 2]" 1
860 2 25 LYS H 2 41 THR HA . . 4.990 4.465 4.148 5.102 0.112 3 0 "[ . 1 . 2]" 1
861 2 25 LYS HA 2 25 LYS QD . . 4.770 2.342 1.943 2.954 . 0 0 "[ . 1 . 2]" 1
862 2 25 LYS HA 2 25 LYS QE . . 4.960 3.745 2.739 4.241 . 0 0 "[ . 1 . 2]" 1
863 2 25 LYS HA 2 25 LYS QG . . 3.370 2.812 2.390 3.143 . 0 0 "[ . 1 . 2]" 1
864 2 25 LYS HA 2 26 THR HA . . 5.500 4.414 4.333 4.549 . 0 0 "[ . 1 . 2]" 1
865 2 25 LYS QB 2 25 LYS QD . . 2.400 2.397 2.308 2.585 0.185 16 0 "[ . 1 . 2]" 1
866 2 25 LYS QB 2 25 LYS QE . . 4.440 3.316 1.963 3.865 . 0 0 "[ . 1 . 2]" 1
867 2 25 LYS QB 2 26 THR H . . 3.900 2.777 2.355 3.168 . 0 0 "[ . 1 . 2]" 1
868 2 25 LYS QB 2 26 THR HA . . 5.500 4.123 3.918 4.371 . 0 0 "[ . 1 . 2]" 1
869 2 25 LYS QB 2 27 TYR QE . . 5.380 2.076 1.970 2.206 . 0 0 "[ . 1 . 2]" 1
870 2 25 LYS QB 2 40 ILE H . . 4.580 3.191 2.875 3.624 . 0 0 "[ . 1 . 2]" 1
871 2 25 LYS QB 2 40 ILE HB . . 4.300 2.005 1.852 2.201 . 0 0 "[ . 1 . 2]" 1
872 2 25 LYS QE 2 26 THR H . . 5.500 5.058 3.402 5.623 0.123 14 0 "[ . 1 . 2]" 1
873 2 26 THR H 2 26 THR HB . . 4.140 3.208 2.535 3.758 . 0 0 "[ . 1 . 2]" 1
874 2 26 THR H 2 26 THR MG . . 4.330 3.287 2.668 3.881 . 0 0 "[ . 1 . 2]" 1
875 2 26 THR H 2 27 TYR H . . 5.240 4.260 4.158 4.359 . 0 0 "[ . 1 . 2]" 1
876 2 26 THR HA 2 26 THR MG . . 3.710 2.354 2.313 2.395 . 0 0 "[ . 1 . 2]" 1
877 2 26 THR HA 2 27 TYR H . . 3.520 2.091 2.047 2.164 . 0 0 "[ . 1 . 2]" 1
878 2 26 THR HA 2 27 TYR QD . . 5.500 3.852 3.657 4.069 . 0 0 "[ . 1 . 2]" 1
879 2 26 THR HA 2 37 VAL MG1 . . 5.500 3.416 3.249 3.578 . 0 0 "[ . 1 . 2]" 1
880 2 26 THR HA 2 37 VAL MG2 . . 5.500 5.620 5.574 5.665 0.165 3 0 "[ . 1 . 2]" 1
881 2 26 THR HA 2 39 PHE HA . . 3.640 2.736 2.544 2.957 . 0 0 "[ . 1 . 2]" 1
882 2 26 THR HA 2 39 PHE QB . . 5.340 4.558 4.383 4.646 . 0 0 "[ . 1 . 2]" 1
883 2 26 THR HA 2 40 ILE H . . 5.490 3.697 3.445 4.019 . 0 0 "[ . 1 . 2]" 1
884 2 26 THR HA 2 40 ILE QG . . 5.340 4.398 4.058 4.729 . 0 0 "[ . 1 . 2]" 1
885 2 26 THR HB 2 27 TYR H . . 4.820 3.707 3.284 4.223 . 0 0 "[ . 1 . 2]" 1
886 2 26 THR HB 2 27 TYR HA . . 5.500 4.554 4.343 4.749 . 0 0 "[ . 1 . 2]" 1
887 2 26 THR HB 2 37 VAL QG . . 5.110 3.559 2.791 4.416 . 0 0 "[ . 1 . 2]" 1
888 2 26 THR HB 2 39 PHE HA . . 5.500 5.097 4.511 5.508 0.008 15 0 "[ . 1 . 2]" 1
889 2 26 THR HB 2 39 PHE QE . . 5.500 4.546 3.893 5.238 . 0 0 "[ . 1 . 2]" 1
890 2 26 THR MG 2 27 TYR H . . 3.950 3.404 2.733 3.962 0.012 3 0 "[ . 1 . 2]" 1
891 2 26 THR MG 2 39 PHE HA . . 4.590 3.543 2.955 4.129 . 0 0 "[ . 1 . 2]" 1
892 2 26 THR MG 2 39 PHE QE . . 3.790 2.714 2.278 3.142 . 0 0 "[ . 1 . 2]" 1
893 2 27 TYR H 2 27 TYR QD . . 4.350 3.220 3.015 3.373 . 0 0 "[ . 1 . 2]" 1
894 2 27 TYR H 2 27 TYR QE . . 5.480 5.214 5.058 5.335 . 0 0 "[ . 1 . 2]" 1
895 2 27 TYR H 2 28 THR H . . 4.770 4.221 4.092 4.311 . 0 0 "[ . 1 . 2]" 1
896 2 27 TYR H 2 28 THR MG . . 5.270 4.284 3.838 5.475 0.205 20 0 "[ . 1 . 2]" 1
897 2 27 TYR H 2 37 VAL MG1 . . 4.820 2.988 2.732 3.214 . 0 0 "[ . 1 . 2]" 1
898 2 27 TYR H 2 37 VAL MG2 . . 4.820 4.840 4.734 4.887 0.067 10 0 "[ . 1 . 2]" 1
899 2 27 TYR H 2 38 ILE HB . . 4.470 3.143 3.002 3.345 . 0 0 "[ . 1 . 2]" 1
900 2 27 TYR H 2 38 ILE QG . . 5.340 4.745 4.559 4.858 . 0 0 "[ . 1 . 2]" 1
901 2 27 TYR H 2 40 ILE H . . 5.500 4.846 4.564 5.110 . 0 0 "[ . 1 . 2]" 1
902 2 27 TYR HA 2 38 ILE HB . . 5.500 4.728 4.571 4.928 . 0 0 "[ . 1 . 2]" 1
903 2 27 TYR QB 2 28 THR H . . 4.250 3.035 2.895 3.123 . 0 0 "[ . 1 . 2]" 1
904 2 27 TYR QB 2 29 ILE MD . . 4.730 3.990 3.761 4.207 . 0 0 "[ . 1 . 2]" 1
905 2 27 TYR QB 2 38 ILE H . . 4.700 3.150 3.018 3.342 . 0 0 "[ . 1 . 2]" 1
906 2 27 TYR QB 2 38 ILE HB . . 4.820 2.065 1.934 2.329 . 0 0 "[ . 1 . 2]" 1
907 2 27 TYR QB 2 38 ILE MD . . 4.160 3.029 2.879 3.268 . 0 0 "[ . 1 . 2]" 1
908 2 27 TYR QB 2 40 ILE MD . . 5.340 4.314 3.999 4.518 . 0 0 "[ . 1 . 2]" 1
909 2 27 TYR HB2 2 28 THR H . . 4.830 4.169 4.087 4.240 . 0 0 "[ . 1 . 2]" 1
910 2 27 TYR HB2 2 29 ILE MD . . 5.500 5.055 4.695 5.432 . 0 0 "[ . 1 . 2]" 1
911 2 27 TYR HB2 2 38 ILE H . . 5.460 3.254 3.132 3.459 . 0 0 "[ . 1 . 2]" 1
912 2 27 TYR HB2 2 38 ILE HB . . 5.500 2.081 1.948 2.353 . 0 0 "[ . 1 . 2]" 1
913 2 27 TYR HB2 2 38 ILE MD . . 4.790 3.230 3.041 3.471 . 0 0 "[ . 1 . 2]" 1
914 2 27 TYR HB2 2 38 ILE MG . . 5.420 3.116 2.925 3.308 . 0 0 "[ . 1 . 2]" 1
915 2 27 TYR HB3 2 28 THR H . . 4.830 3.118 2.961 3.223 . 0 0 "[ . 1 . 2]" 1
916 2 27 TYR HB3 2 29 ILE MD . . 5.500 4.179 3.959 4.381 . 0 0 "[ . 1 . 2]" 1
917 2 27 TYR HB3 2 38 ILE H . . 5.460 4.207 3.941 4.425 . 0 0 "[ . 1 . 2]" 1
918 2 27 TYR HB3 2 38 ILE HB . . 5.500 3.485 3.179 3.743 . 0 0 "[ . 1 . 2]" 1
919 2 27 TYR HB3 2 38 ILE MD . . 4.790 3.673 3.456 4.003 . 0 0 "[ . 1 . 2]" 1
920 2 27 TYR HB3 2 38 ILE MG . . 5.420 4.434 4.158 4.665 . 0 0 "[ . 1 . 2]" 1
921 2 27 TYR QD 2 28 THR H . . 5.000 3.614 3.519 3.686 . 0 0 "[ . 1 . 2]" 1
922 2 27 TYR QD 2 29 ILE MD . . 5.000 5.057 5.015 5.110 0.110 9 0 "[ . 1 . 2]" 1
923 2 27 TYR QD 2 38 ILE H . . 5.500 4.792 4.631 4.947 . 0 0 "[ . 1 . 2]" 1
924 2 27 TYR QD 2 38 ILE HB . . 5.500 3.576 3.351 3.853 . 0 0 "[ . 1 . 2]" 1
925 2 27 TYR QD 2 38 ILE MD . . 4.860 4.379 4.180 4.668 . 0 0 "[ . 1 . 2]" 1
926 2 27 TYR QD 2 38 ILE MG . . 5.160 3.115 2.852 3.412 . 0 0 "[ . 1 . 2]" 1
927 2 27 TYR QD 2 40 ILE MD . . 4.560 3.487 3.158 3.625 . 0 0 "[ . 1 . 2]" 1
928 2 27 TYR QE 2 28 THR H . . 5.500 5.593 5.521 5.649 0.149 6 0 "[ . 1 . 2]" 1
929 2 27 TYR QE 2 38 ILE MG . . 5.500 4.692 4.417 5.014 . 0 0 "[ . 1 . 2]" 1
930 2 27 TYR QE 2 40 ILE HB . . 5.500 4.333 3.941 4.711 . 0 0 "[ . 1 . 2]" 1
931 2 27 TYR QE 2 40 ILE MD . . 4.200 4.118 3.829 4.268 0.068 11 0 "[ . 1 . 2]" 1
932 2 27 TYR QE 2 40 ILE QG . . 5.340 2.866 2.568 3.085 . 0 0 "[ . 1 . 2]" 1
933 2 28 THR H 2 28 THR MG . . 4.680 2.990 2.653 3.880 . 0 0 "[ . 1 . 2]" 1
934 2 28 THR H 2 29 ILE MD . . 5.500 5.430 5.231 5.525 0.025 10 0 "[ . 1 . 2]" 1
935 2 28 THR H 2 37 VAL QG . . 5.440 4.247 4.055 4.430 . 0 0 "[ . 1 . 2]" 1
936 2 28 THR HA 2 37 VAL HA . . 4.820 2.456 2.242 2.615 . 0 0 "[ . 1 . 2]" 1
937 2 28 THR HA 2 37 VAL HB . . 5.500 5.106 4.977 5.242 . 0 0 "[ . 1 . 2]" 1
938 2 28 THR HA 2 37 VAL MG1 . . 4.850 3.534 3.174 3.791 . 0 0 "[ . 1 . 2]" 1
939 2 28 THR HA 2 37 VAL QG . . 4.170 2.713 2.515 2.883 . 0 0 "[ . 1 . 2]" 1
940 2 28 THR HA 2 37 VAL MG2 . . 4.850 2.823 2.637 3.085 . 0 0 "[ . 1 . 2]" 1
941 2 28 THR HA 2 38 ILE H . . 4.610 3.663 3.403 3.867 . 0 0 "[ . 1 . 2]" 1
942 2 28 THR HA 2 38 ILE MD . . 5.200 5.348 5.280 5.390 0.190 4 0 "[ . 1 . 2]" 1
943 2 28 THR HB 2 29 ILE H . . 4.690 3.410 3.074 4.188 . 0 0 "[ . 1 . 2]" 1
944 2 28 THR HB 2 37 VAL QG . . 5.440 3.350 2.878 3.816 . 0 0 "[ . 1 . 2]" 1
945 2 28 THR MG 2 29 ILE H . . 3.940 3.687 2.563 3.992 0.052 10 0 "[ . 1 . 2]" 1
946 2 28 THR MG 2 37 VAL HB . . 5.110 4.312 4.081 4.531 . 0 0 "[ . 1 . 2]" 1
947 2 29 ILE H 2 29 ILE HB . . 4.180 2.632 2.492 2.739 . 0 0 "[ . 1 . 2]" 1
948 2 29 ILE H 2 29 ILE MD . . 4.850 4.209 3.985 4.371 . 0 0 "[ . 1 . 2]" 1
949 2 29 ILE H 2 29 ILE QG . . 4.380 3.009 2.750 3.125 . 0 0 "[ . 1 . 2]" 1
950 2 29 ILE H 2 29 ILE MG . . 4.760 3.830 3.774 3.868 . 0 0 "[ . 1 . 2]" 1
951 2 29 ILE H 2 30 THR H . . 5.020 4.232 4.123 4.335 . 0 0 "[ . 1 . 2]" 1
952 2 29 ILE H 2 30 THR HB . . 5.500 5.268 4.764 5.505 0.005 20 0 "[ . 1 . 2]" 1
953 2 29 ILE H 2 35 ARG HA . . 5.500 4.458 4.011 4.731 . 0 0 "[ . 1 . 2]" 1
954 2 29 ILE H 2 36 ALA H . . 4.620 3.001 2.800 3.178 . 0 0 "[ . 1 . 2]" 1
955 2 29 ILE HA 2 30 THR H . . 3.360 2.132 2.079 2.199 . 0 0 "[ . 1 . 2]" 1
956 2 29 ILE HB 2 30 THR H . . 4.790 4.268 4.155 4.334 . 0 0 "[ . 1 . 2]" 1
957 2 29 ILE HB 2 36 ALA H . . 4.460 3.605 3.347 3.808 . 0 0 "[ . 1 . 2]" 1
958 2 29 ILE HB 2 36 ALA MB . . 4.240 2.570 2.234 2.885 . 0 0 "[ . 1 . 2]" 1
959 2 29 ILE HB 2 37 VAL HA . . 5.500 5.337 4.891 5.533 0.033 19 0 "[ . 1 . 2]" 1
960 2 29 ILE MD 2 29 ILE MG . . 3.380 1.936 1.873 2.008 . 0 0 "[ . 1 . 2]" 1
961 2 29 ILE MD 2 30 THR H . . 5.130 5.034 4.830 5.144 0.014 17 0 "[ . 1 . 2]" 1
962 2 29 ILE MD 2 36 ALA H . . 5.500 5.460 5.230 5.564 0.064 7 0 "[ . 1 . 2]" 1
963 2 29 ILE MD 2 38 ILE HB . . 5.500 5.194 4.458 5.539 0.039 19 0 "[ . 1 . 2]" 1
964 2 29 ILE MD 2 38 ILE QG . . 4.960 4.347 3.378 4.909 . 0 0 "[ . 1 . 2]" 1
965 2 29 ILE QG 2 29 ILE MG . . 3.160 2.391 2.306 2.430 . 0 0 "[ . 1 . 2]" 1
966 2 29 ILE QG 2 30 THR H . . 5.340 4.020 3.882 4.190 . 0 0 "[ . 1 . 2]" 1
967 2 29 ILE MG 2 30 THR H . . 4.110 2.785 2.539 2.912 . 0 0 "[ . 1 . 2]" 1
968 2 29 ILE MG 2 30 THR HB . . 5.500 4.968 4.846 5.075 . 0 0 "[ . 1 . 2]" 1
969 2 29 ILE MG 2 31 GLU HG2 . . 5.500 4.512 4.078 4.766 . 0 0 "[ . 1 . 2]" 1
970 2 29 ILE MG 2 31 GLU HG3 . . 5.500 5.330 4.949 5.532 0.032 17 0 "[ . 1 . 2]" 1
971 2 29 ILE MG 2 36 ALA H . . 5.330 3.954 3.705 4.098 . 0 0 "[ . 1 . 2]" 1
972 2 30 THR H 2 30 THR HB . . 4.030 3.027 2.886 3.140 . 0 0 "[ . 1 . 2]" 1
973 2 30 THR H 2 30 THR MG . . 4.300 2.075 1.943 2.292 . 0 0 "[ . 1 . 2]" 1
974 2 30 THR H 2 36 ALA H . . 5.500 4.819 4.639 5.028 . 0 0 "[ . 1 . 2]" 1
975 2 30 THR HA 2 30 THR MG . . 3.460 3.229 3.203 3.249 . 0 0 "[ . 1 . 2]" 1
976 2 30 THR HA 2 31 GLU H . . 3.280 2.097 2.016 2.192 . 0 0 "[ . 1 . 2]" 1
977 2 30 THR HA 2 34 LEU H . . 4.990 4.698 4.092 5.091 0.101 2 0 "[ . 1 . 2]" 1
978 2 30 THR HA 2 35 ARG QB . . 5.200 4.021 3.019 4.772 . 0 0 "[ . 1 . 2]" 1
979 2 30 THR HA 2 35 ARG QD . . 5.120 3.473 2.115 4.684 . 0 0 "[ . 1 . 2]" 1
980 2 30 THR HA 2 35 ARG QG . . 4.580 3.751 2.069 4.648 0.068 18 0 "[ . 1 . 2]" 1
981 2 30 THR HA 2 36 ALA H . . 5.500 3.343 2.896 3.751 . 0 0 "[ . 1 . 2]" 1
982 2 30 THR HB 2 31 GLU H . . 4.250 4.156 3.936 4.259 0.009 20 0 "[ . 1 . 2]" 1
983 2 30 THR MG 2 31 GLU H . . 3.950 3.960 3.706 4.061 0.111 3 0 "[ . 1 . 2]" 1
984 2 30 THR MG 2 32 GLY H . . 5.500 4.598 4.209 5.043 . 0 0 "[ . 1 . 2]" 1
985 2 31 GLU H 2 31 GLU QB . . 3.830 2.606 2.412 2.683 . 0 0 "[ . 1 . 2]" 1
986 2 31 GLU H 2 31 GLU QG . . 4.310 4.148 4.027 4.222 . 0 0 "[ . 1 . 2]" 1
987 2 31 GLU H 2 32 GLY H . . 5.500 3.921 3.679 4.165 . 0 0 "[ . 1 . 2]" 1
988 2 31 GLU H 2 34 LEU H . . 4.320 3.162 2.572 3.662 . 0 0 "[ . 1 . 2]" 1
989 2 31 GLU H 2 34 LEU QB . . 5.340 4.375 3.029 5.167 . 0 0 "[ . 1 . 2]" 1
990 2 31 GLU H 2 34 LEU HG . . 4.440 3.789 3.271 4.096 . 0 0 "[ . 1 . 2]" 1
991 2 31 GLU H 2 35 ARG HA . . 5.500 3.590 2.854 4.024 . 0 0 "[ . 1 . 2]" 1
992 2 31 GLU H 2 35 ARG QD . . 5.500 4.836 3.563 5.596 0.096 9 0 "[ . 1 . 2]" 1
993 2 31 GLU H 2 36 ALA H . . 5.390 4.546 4.351 4.806 . 0 0 "[ . 1 . 2]" 1
994 2 31 GLU QB 2 32 GLY H . . 5.450 3.902 3.763 4.005 . 0 0 "[ . 1 . 2]" 1
995 2 31 GLU QB 2 34 LEU H . . 4.610 4.122 3.824 4.555 . 0 0 "[ . 1 . 2]" 1
996 2 31 GLU QB 2 34 LEU QD . . 4.500 2.699 2.330 3.089 . 0 0 "[ . 1 . 2]" 1
997 2 31 GLU QG 2 32 GLY QA . . 5.180 3.587 3.369 3.844 . 0 0 "[ . 1 . 2]" 1
998 2 31 GLU QG 2 33 SER H . . 5.210 4.409 3.954 4.679 . 0 0 "[ . 1 . 2]" 1
999 2 31 GLU QG 2 34 LEU QD . . 3.570 3.184 2.729 3.649 0.079 9 0 "[ . 1 . 2]" 1
1000 2 32 GLY H 2 34 LEU H . . 5.500 4.648 4.263 5.250 . 0 0 "[ . 1 . 2]" 1
1001 2 32 GLY QA 2 34 LEU H . . 4.080 3.806 3.444 4.155 0.075 7 0 "[ . 1 . 2]" 1
1002 2 32 GLY QA 2 56 VAL QG . . 5.280 3.584 2.365 4.863 . 0 0 "[ . 1 . 2]" 1
1003 2 33 SER H 2 34 LEU QB . . 5.340 3.932 2.923 4.461 . 0 0 "[ . 1 . 2]" 1
1004 2 33 SER HA 2 56 VAL HB . . 3.850 3.293 1.879 3.904 0.054 3 0 "[ . 1 . 2]" 1
1005 2 34 LEU H 2 34 LEU QB . . 3.440 2.755 1.994 3.256 . 0 0 "[ . 1 . 2]" 1
1006 2 34 LEU H 2 34 LEU HG . . 3.890 3.579 3.072 4.072 0.182 7 0 "[ . 1 . 2]" 1
1007 2 34 LEU H 2 52 GLN H . . 5.000 4.682 4.049 5.124 0.124 18 0 "[ . 1 . 2]" 1
1008 2 34 LEU HA 2 34 LEU MD1 . . 4.640 3.557 2.261 4.132 . 0 0 "[ . 1 . 2]" 1
1009 2 34 LEU HA 2 34 LEU QD . . 3.630 3.037 2.247 3.404 . 0 0 "[ . 1 . 2]" 1
1010 2 34 LEU HA 2 34 LEU MD2 . . 4.640 3.678 3.514 3.974 . 0 0 "[ . 1 . 2]" 1
1011 2 34 LEU HA 2 52 GLN H . . 3.790 2.723 2.065 3.832 0.042 2 0 "[ . 1 . 2]" 1
1012 2 34 LEU QB 2 52 GLN H . . 4.110 3.896 3.379 4.177 0.067 9 0 "[ . 1 . 2]" 1
1013 2 34 LEU QB 2 52 GLN QG . . 5.340 4.242 1.844 5.069 . 0 0 "[ . 1 . 2]" 1
1014 2 34 LEU QD 2 35 ARG H . . 4.180 3.548 2.025 4.075 . 0 0 "[ . 1 . 2]" 1
1015 2 34 LEU QD 2 36 ALA H . . 5.440 4.479 4.081 4.964 . 0 0 "[ . 1 . 2]" 1
1016 2 34 LEU QD 2 36 ALA HA . . 5.420 4.354 3.767 4.855 . 0 0 "[ . 1 . 2]" 1
1017 2 34 LEU QD 2 50 ASP H . . 4.780 4.337 3.062 4.877 0.097 17 0 "[ . 1 . 2]" 1
1018 2 34 LEU QD 2 52 GLN H . . 5.360 4.498 3.417 5.094 . 0 0 "[ . 1 . 2]" 1
1019 2 34 LEU HG 2 35 ARG H . . 4.020 3.837 2.948 4.072 0.052 12 0 "[ . 1 . 2]" 1
1020 2 35 ARG H 2 35 ARG QD . . 5.500 3.992 2.111 5.094 . 0 0 "[ . 1 . 2]" 1
1021 2 35 ARG H 2 36 ALA H . . 5.250 4.313 4.187 4.467 . 0 0 "[ . 1 . 2]" 1
1022 2 35 ARG H 2 36 ALA MB . . 5.320 4.985 4.847 5.103 . 0 0 "[ . 1 . 2]" 1
1023 2 35 ARG H 2 50 ASP H . . 5.100 3.371 2.924 3.751 . 0 0 "[ . 1 . 2]" 1
1024 2 35 ARG H 2 50 ASP QB . . 5.340 3.503 2.523 3.988 . 0 0 "[ . 1 . 2]" 1
1025 2 35 ARG H 2 51 PRO QD . . 5.350 4.988 4.693 5.317 . 0 0 "[ . 1 . 2]" 1
1026 2 35 ARG H 2 52 GLN QG . . 5.500 5.595 4.738 5.731 0.231 13 0 "[ . 1 . 2]" 1
1027 2 35 ARG QB 2 36 ALA MB . . 5.340 4.746 4.466 5.028 . 0 0 "[ . 1 . 2]" 1
1028 2 35 ARG QB 2 37 VAL QG . . 4.980 3.534 2.756 4.395 . 0 0 "[ . 1 . 2]" 1
1029 2 35 ARG HB2 2 36 ALA H . . 4.870 4.272 4.093 4.538 . 0 0 "[ . 1 . 2]" 1
1030 2 35 ARG HB3 2 36 ALA H . . 4.870 3.715 3.012 4.385 . 0 0 "[ . 1 . 2]" 1
1031 2 35 ARG QD 2 36 ALA H . . 5.500 4.267 3.186 5.338 . 0 0 "[ . 1 . 2]" 1
1032 2 36 ALA H 2 37 VAL QG . . 5.440 4.190 3.923 4.407 . 0 0 "[ . 1 . 2]" 1
1033 2 36 ALA HA 2 37 VAL H . . 3.530 2.150 2.089 2.217 . 0 0 "[ . 1 . 2]" 1
1034 2 36 ALA HA 2 37 VAL HA . . 5.500 4.379 4.335 4.413 . 0 0 "[ . 1 . 2]" 1
1035 2 36 ALA HA 2 37 VAL HB . . 5.500 4.632 4.513 4.705 . 0 0 "[ . 1 . 2]" 1
1036 2 36 ALA HA 2 37 VAL QG . . 4.640 3.614 3.487 3.756 . 0 0 "[ . 1 . 2]" 1
1037 2 36 ALA HA 2 48 CYS H . . 5.040 4.627 4.327 4.911 . 0 0 "[ . 1 . 2]" 1
1038 2 36 ALA HA 2 49 ALA HA . . 4.320 2.556 2.210 2.771 . 0 0 "[ . 1 . 2]" 1
1039 2 36 ALA HA 2 49 ALA MB . . 4.450 3.812 3.280 4.043 . 0 0 "[ . 1 . 2]" 1
1040 2 36 ALA HA 2 50 ASP H . . 4.560 3.344 2.867 3.660 . 0 0 "[ . 1 . 2]" 1
1041 2 36 ALA HA 2 50 ASP QB . . 5.340 4.717 4.090 5.049 . 0 0 "[ . 1 . 2]" 1
1042 2 36 ALA MB 2 37 VAL H . . 3.760 3.035 2.761 3.278 . 0 0 "[ . 1 . 2]" 1
1043 2 36 ALA MB 2 48 CYS H . . 5.020 4.636 4.345 4.996 . 0 0 "[ . 1 . 2]" 1
1044 2 36 ALA MB 2 49 ALA HA . . 4.790 3.764 3.423 4.115 . 0 0 "[ . 1 . 2]" 1
1045 2 36 ALA MB 2 50 ASP H . . 4.870 4.576 4.284 4.827 . 0 0 "[ . 1 . 2]" 1
1046 2 37 VAL H 2 37 VAL HB . . 4.100 2.699 2.571 2.776 . 0 0 "[ . 1 . 2]" 1
1047 2 37 VAL H 2 37 VAL MG1 . . 4.420 3.877 3.801 3.917 . 0 0 "[ . 1 . 2]" 1
1048 2 37 VAL H 2 37 VAL QG . . 3.730 2.728 2.556 2.871 . 0 0 "[ . 1 . 2]" 1
1049 2 37 VAL H 2 37 VAL MG2 . . 4.420 2.789 2.592 2.959 . 0 0 "[ . 1 . 2]" 1
1050 2 37 VAL H 2 39 PHE QE . . 5.500 5.275 4.861 5.531 0.031 1 0 "[ . 1 . 2]" 1
1051 2 37 VAL H 2 48 CYS H . . 4.550 2.917 2.672 3.117 . 0 0 "[ . 1 . 2]" 1
1052 2 37 VAL H 2 48 CYS QB . . 4.720 3.378 3.039 3.534 . 0 0 "[ . 1 . 2]" 1
1053 2 37 VAL H 2 49 ALA H . . 5.190 4.844 4.724 4.960 . 0 0 "[ . 1 . 2]" 1
1054 2 37 VAL H 2 49 ALA HA . . 4.340 3.450 3.101 3.618 . 0 0 "[ . 1 . 2]" 1
1055 2 37 VAL H 2 49 ALA MB . . 4.640 4.609 4.197 4.749 0.109 6 0 "[ . 1 . 2]" 1
1056 2 37 VAL H 2 50 ASP H . . 5.220 4.436 4.133 4.677 . 0 0 "[ . 1 . 2]" 1
1057 2 37 VAL HB 2 38 ILE H . . 4.860 4.153 4.042 4.253 . 0 0 "[ . 1 . 2]" 1
1058 2 37 VAL HB 2 39 PHE QE . . 4.890 3.154 2.679 3.474 . 0 0 "[ . 1 . 2]" 1
1059 2 37 VAL HB 2 48 CYS H . . 5.120 3.281 2.850 3.807 . 0 0 "[ . 1 . 2]" 1
1060 2 37 VAL HB 2 48 CYS HA . . 5.500 4.813 4.484 5.237 . 0 0 "[ . 1 . 2]" 1
1061 2 37 VAL HB 2 48 CYS QB . . 4.730 2.106 1.873 2.464 . 0 0 "[ . 1 . 2]" 1
1062 2 37 VAL QG 2 38 ILE HA . . 4.750 3.658 3.524 3.796 . 0 0 "[ . 1 . 2]" 1
1063 2 37 VAL QG 2 39 PHE HA . . 4.580 3.947 3.715 4.142 . 0 0 "[ . 1 . 2]" 1
1064 2 37 VAL QG 2 39 PHE QE . . 3.610 2.775 2.573 2.866 . 0 0 "[ . 1 . 2]" 1
1065 2 37 VAL QG 2 48 CYS H . . 4.640 3.759 3.515 4.114 . 0 0 "[ . 1 . 2]" 1
1066 2 37 VAL QG 2 48 CYS QB . . 4.440 2.939 2.722 3.266 . 0 0 "[ . 1 . 2]" 1
1067 2 37 VAL QG 2 50 ASP QB . . 5.280 3.615 3.015 4.155 . 0 0 "[ . 1 . 2]" 1
1068 2 37 VAL MG1 2 38 ILE H . . 4.130 2.635 2.454 2.774 . 0 0 "[ . 1 . 2]" 1
1069 2 37 VAL MG1 2 39 PHE QE . . 4.370 2.821 2.604 2.915 . 0 0 "[ . 1 . 2]" 1
1070 2 37 VAL MG1 2 48 CYS H . . 5.300 4.016 3.708 4.413 . 0 0 "[ . 1 . 2]" 1
1071 2 37 VAL MG2 2 38 ILE H . . 4.130 3.920 3.787 4.082 . 0 0 "[ . 1 . 2]" 1
1072 2 37 VAL MG2 2 39 PHE QE . . 4.370 4.138 3.794 4.333 . 0 0 "[ . 1 . 2]" 1
1073 2 37 VAL MG2 2 48 CYS H . . 5.300 4.546 4.153 4.917 . 0 0 "[ . 1 . 2]" 1
1074 2 38 ILE H 2 38 ILE HB . . 4.160 2.274 2.197 2.350 . 0 0 "[ . 1 . 2]" 1
1075 2 38 ILE H 2 38 ILE MD . . 4.410 3.716 3.595 3.798 . 0 0 "[ . 1 . 2]" 1
1076 2 38 ILE H 2 38 ILE HG12 . . 4.760 3.939 3.756 4.084 . 0 0 "[ . 1 . 2]" 1
1077 2 38 ILE H 2 38 ILE QG . . 4.080 2.725 2.560 2.889 . 0 0 "[ . 1 . 2]" 1
1078 2 38 ILE H 2 38 ILE HG13 . . 4.760 2.779 2.599 2.954 . 0 0 "[ . 1 . 2]" 1
1079 2 38 ILE H 2 38 ILE MG . . 4.250 3.632 3.591 3.694 . 0 0 "[ . 1 . 2]" 1
1080 2 38 ILE H 2 39 PHE H . . 5.380 4.271 4.199 4.331 . 0 0 "[ . 1 . 2]" 1
1081 2 38 ILE H 2 40 ILE MD . . 5.500 5.638 5.591 5.693 0.193 16 0 "[ . 1 . 2]" 1
1082 2 38 ILE HA 2 38 ILE MD . . 4.560 3.764 3.705 3.823 . 0 0 "[ . 1 . 2]" 1
1083 2 38 ILE HA 2 46 LYS H . . 4.980 4.733 4.454 5.006 0.026 17 0 "[ . 1 . 2]" 1
1084 2 38 ILE HA 2 47 VAL HA . . 4.960 2.578 2.370 2.810 . 0 0 "[ . 1 . 2]" 1
1085 2 38 ILE HA 2 48 CYS H . . 4.730 3.670 3.426 4.025 . 0 0 "[ . 1 . 2]" 1
1086 2 38 ILE MD 2 38 ILE MG . . 2.780 1.831 1.796 1.912 . 0 0 "[ . 1 . 2]" 1
1087 2 38 ILE QG 2 38 ILE MG . . 3.310 2.317 2.285 2.363 . 0 0 "[ . 1 . 2]" 1
1088 2 38 ILE QG 2 39 PHE H . . 4.660 4.019 3.867 4.192 . 0 0 "[ . 1 . 2]" 1
1089 2 38 ILE QG 2 47 VAL HA . . 5.340 3.617 3.035 4.051 . 0 0 "[ . 1 . 2]" 1
1090 2 38 ILE QG 2 47 VAL HB . . 5.340 3.750 3.290 4.402 . 0 0 "[ . 1 . 2]" 1
1091 2 38 ILE HG12 2 39 PHE H . . 5.500 4.275 4.076 4.522 . 0 0 "[ . 1 . 2]" 1
1092 2 38 ILE HG12 2 48 CYS H . . 5.500 4.968 4.436 5.507 0.007 14 0 "[ . 1 . 2]" 1
1093 2 38 ILE HG13 2 39 PHE H . . 5.500 4.888 4.799 5.016 . 0 0 "[ . 1 . 2]" 1
1094 2 38 ILE HG13 2 48 CYS H . . 5.500 4.837 4.368 5.301 . 0 0 "[ . 1 . 2]" 1
1095 2 38 ILE MG 2 39 PHE H . . 3.990 2.920 2.764 3.107 . 0 0 "[ . 1 . 2]" 1
1096 2 38 ILE MG 2 39 PHE QD . . 5.500 4.945 4.801 5.115 . 0 0 "[ . 1 . 2]" 1
1097 2 38 ILE MG 2 40 ILE H . . 4.160 3.561 3.443 3.776 . 0 0 "[ . 1 . 2]" 1
1098 2 38 ILE MG 2 40 ILE HA . . 5.260 3.762 3.652 3.923 . 0 0 "[ . 1 . 2]" 1
1099 2 38 ILE MG 2 46 LYS H . . 5.290 3.965 3.573 4.364 . 0 0 "[ . 1 . 2]" 1
1100 2 39 PHE H 2 39 PHE QD . . 4.430 2.767 2.506 2.912 . 0 0 "[ . 1 . 2]" 1
1101 2 39 PHE H 2 40 ILE H . . 5.390 4.178 4.098 4.263 . 0 0 "[ . 1 . 2]" 1
1102 2 39 PHE H 2 40 ILE HA . . 5.500 4.776 4.655 4.894 . 0 0 "[ . 1 . 2]" 1
1103 2 39 PHE H 2 45 LEU HA . . 5.200 5.061 4.774 5.259 0.059 3 0 "[ . 1 . 2]" 1
1104 2 39 PHE H 2 45 LEU QD . . 5.440 3.421 3.074 3.797 . 0 0 "[ . 1 . 2]" 1
1105 2 39 PHE H 2 46 LYS H . . 4.600 3.276 3.022 3.518 . 0 0 "[ . 1 . 2]" 1
1106 2 39 PHE H 2 46 LYS QB . . 4.820 3.504 3.085 3.894 . 0 0 "[ . 1 . 2]" 1
1107 2 39 PHE H 2 46 LYS QG . . 4.780 4.133 3.780 4.836 0.056 12 0 "[ . 1 . 2]" 1
1108 2 39 PHE H 2 47 VAL HA . . 4.650 3.206 3.024 3.520 . 0 0 "[ . 1 . 2]" 1
1109 2 39 PHE H 2 48 CYS H . . 4.950 4.597 4.386 4.778 . 0 0 "[ . 1 . 2]" 1
1110 2 39 PHE HA 2 39 PHE QE . . 5.490 4.709 4.636 4.856 . 0 0 "[ . 1 . 2]" 1
1111 2 39 PHE HA 2 40 ILE H . . 3.550 2.049 2.021 2.084 . 0 0 "[ . 1 . 2]" 1
1112 2 39 PHE HA 2 40 ILE MD . . 5.170 4.295 4.127 4.470 . 0 0 "[ . 1 . 2]" 1
1113 2 39 PHE HA 2 40 ILE HG12 . . 5.500 3.882 3.809 3.940 . 0 0 "[ . 1 . 2]" 1
1114 2 39 PHE HA 2 40 ILE HG13 . . 5.500 5.545 5.496 5.577 0.077 2 0 "[ . 1 . 2]" 1
1115 2 39 PHE QB 2 40 ILE H . . 4.290 3.324 3.252 3.383 . 0 0 "[ . 1 . 2]" 1
1116 2 39 PHE QB 2 41 THR MG . . 5.320 3.161 2.199 4.272 . 0 0 "[ . 1 . 2]" 1
1117 2 39 PHE QB 2 46 LYS H . . 4.430 3.297 2.799 3.762 . 0 0 "[ . 1 . 2]" 1
1118 2 39 PHE QB 2 46 LYS QD . . 5.340 3.506 2.417 4.566 . 0 0 "[ . 1 . 2]" 1
1119 2 39 PHE HB2 2 40 ILE H . . 5.020 4.251 4.201 4.288 . 0 0 "[ . 1 . 2]" 1
1120 2 39 PHE HB2 2 46 LYS H . . 5.070 3.379 2.842 3.894 . 0 0 "[ . 1 . 2]" 1
1121 2 39 PHE HB2 2 46 LYS QB . . 5.070 1.971 1.811 2.306 . 0 0 "[ . 1 . 2]" 1
1122 2 39 PHE HB3 2 40 ILE H . . 5.020 3.472 3.383 3.543 . 0 0 "[ . 1 . 2]" 1
1123 2 39 PHE HB3 2 46 LYS H . . 5.070 4.603 4.205 5.054 . 0 0 "[ . 1 . 2]" 1
1124 2 39 PHE HB3 2 46 LYS QB . . 5.070 3.271 2.846 3.627 . 0 0 "[ . 1 . 2]" 1
1125 2 39 PHE QD 2 40 ILE H . . 5.290 4.309 4.150 4.581 . 0 0 "[ . 1 . 2]" 1
1126 2 39 PHE QD 2 46 LYS QB . . 5.400 3.181 2.728 3.504 . 0 0 "[ . 1 . 2]" 1
1127 2 39 PHE QD 2 46 LYS QD . . 4.860 3.667 1.999 4.610 . 0 0 "[ . 1 . 2]" 1
1128 2 39 PHE QE 2 46 LYS QE . . 4.920 3.939 3.097 4.837 . 0 0 "[ . 1 . 2]" 1
1129 2 39 PHE QE 2 48 CYS H . . 5.300 3.907 3.422 4.505 . 0 0 "[ . 1 . 2]" 1
1130 2 40 ILE H 2 40 ILE HB . . 4.070 2.502 2.390 2.565 . 0 0 "[ . 1 . 2]" 1
1131 2 40 ILE H 2 40 ILE MD . . 5.010 3.318 3.211 3.436 . 0 0 "[ . 1 . 2]" 1
1132 2 40 ILE H 2 40 ILE QG . . 4.310 2.453 2.317 2.559 . 0 0 "[ . 1 . 2]" 1
1133 2 40 ILE H 2 40 ILE MG . . 4.160 3.782 3.721 3.825 . 0 0 "[ . 1 . 2]" 1
1134 2 40 ILE HA 2 40 ILE MD . . 4.520 2.134 2.060 2.224 . 0 0 "[ . 1 . 2]" 1
1135 2 40 ILE HA 2 40 ILE QG . . 3.550 3.078 3.007 3.143 . 0 0 "[ . 1 . 2]" 1
1136 2 40 ILE HA 2 41 THR MG . . 4.350 3.742 3.532 4.772 0.422 3 0 "[ . 1 . 2]" 1
1137 2 40 ILE HA 2 45 LEU QB . . 5.500 4.928 4.492 5.506 0.006 3 0 "[ . 1 . 2]" 1
1138 2 40 ILE HA 2 45 LEU QD . . 4.710 3.389 3.041 3.797 . 0 0 "[ . 1 . 2]" 1
1139 2 40 ILE HA 2 46 LYS H . . 5.060 3.900 3.547 4.409 . 0 0 "[ . 1 . 2]" 1
1140 2 40 ILE HB 2 41 THR H . . 4.910 4.255 4.200 4.325 . 0 0 "[ . 1 . 2]" 1
1141 2 40 ILE MD 2 40 ILE MG . . 2.550 2.188 2.038 2.348 . 0 0 "[ . 1 . 2]" 1
1142 2 40 ILE MD 2 41 THR H . . 5.050 3.866 3.417 4.033 . 0 0 "[ . 1 . 2]" 1
1143 2 40 ILE QG 2 40 ILE MG . . 2.840 2.236 2.150 2.310 . 0 0 "[ . 1 . 2]" 1
1144 2 40 ILE QG 2 41 THR H . . 4.840 4.809 4.535 4.864 0.024 15 0 "[ . 1 . 2]" 1
1145 2 40 ILE HG12 2 40 ILE MG . . 3.490 3.225 3.208 3.237 . 0 0 "[ . 1 . 2]" 1
1146 2 40 ILE HG13 2 40 ILE MG . . 3.490 2.281 2.184 2.366 . 0 0 "[ . 1 . 2]" 1
1147 2 40 ILE MG 2 41 THR H . . 3.920 2.978 2.852 3.088 . 0 0 "[ . 1 . 2]" 1
1148 2 41 THR H 2 41 THR MG . . 4.150 2.583 2.029 3.635 . 0 0 "[ . 1 . 2]" 1
1149 2 41 THR H 2 42 LYS H . . 5.500 4.361 4.274 4.431 . 0 0 "[ . 1 . 2]" 1
1150 2 41 THR H 2 43 ARG H . . 5.500 4.603 4.363 5.142 . 0 0 "[ . 1 . 2]" 1
1151 2 41 THR H 2 44 GLY H . . 4.780 3.783 3.293 4.379 . 0 0 "[ . 1 . 2]" 1
1152 2 41 THR H 2 45 LEU HA . . 4.760 3.408 2.990 3.622 . 0 0 "[ . 1 . 2]" 1
1153 2 41 THR H 2 45 LEU QD . . 4.490 4.322 3.957 4.530 0.040 5 0 "[ . 1 . 2]" 1
1154 2 41 THR MG 2 42 LYS H . . 4.730 3.421 2.287 3.745 . 0 0 "[ . 1 . 2]" 1
1155 2 41 THR MG 2 43 ARG H . . 4.950 3.199 2.111 4.259 . 0 0 "[ . 1 . 2]" 1
1156 2 41 THR MG 2 44 GLY H . . 5.130 3.286 1.847 4.676 . 0 0 "[ . 1 . 2]" 1
1157 2 41 THR MG 2 46 LYS QB . . 5.500 2.999 2.431 3.773 . 0 0 "[ . 1 . 2]" 1
1158 2 42 LYS H 2 42 LYS QD . . 4.800 2.578 1.563 3.958 . 0 0 "[ . 1 . 2]" 1
1159 2 42 LYS H 2 42 LYS QE . . 4.310 3.504 1.817 4.408 0.098 3 0 "[ . 1 . 2]" 1
1160 2 42 LYS H 2 43 ARG H . . 4.850 2.503 2.139 2.852 . 0 0 "[ . 1 . 2]" 1
1161 2 42 LYS H 2 44 GLY H . . 5.490 3.990 3.579 4.346 . 0 0 "[ . 1 . 2]" 1
1162 2 42 LYS HA 2 44 GLY H . . 4.150 3.862 3.158 4.209 0.059 18 0 "[ . 1 . 2]" 1
1163 2 42 LYS QB 2 43 ARG H . . 5.210 3.709 3.481 3.956 . 0 0 "[ . 1 . 2]" 1
1164 2 42 LYS QE 2 43 ARG H . . 4.470 3.374 2.199 4.177 . 0 0 "[ . 1 . 2]" 1
1165 2 42 LYS QE 2 44 GLY H . . 5.080 5.104 4.157 5.329 0.249 16 0 "[ . 1 . 2]" 1
1166 2 43 ARG H 2 43 ARG QB . . 3.530 2.365 2.211 2.807 . 0 0 "[ . 1 . 2]" 1
1167 2 43 ARG H 2 43 ARG QD . . 5.130 4.438 3.856 4.831 . 0 0 "[ . 1 . 2]" 1
1168 2 43 ARG H 2 44 GLY H . . 3.810 2.211 2.044 2.422 . 0 0 "[ . 1 . 2]" 1
1169 2 43 ARG H 2 44 GLY QA . . 5.340 4.268 4.085 4.403 . 0 0 "[ . 1 . 2]" 1
1170 2 43 ARG HA 2 43 ARG QD . . 4.970 3.956 2.831 4.512 . 0 0 "[ . 1 . 2]" 1
1171 2 43 ARG QB 2 43 ARG QD . . 3.410 2.222 2.064 2.386 . 0 0 "[ . 1 . 2]" 1
1172 2 43 ARG QB 2 44 GLY H . . 4.140 3.225 2.856 3.769 . 0 0 "[ . 1 . 2]" 1
1173 2 43 ARG HB2 2 44 GLY H . . 5.010 4.059 3.097 4.445 . 0 0 "[ . 1 . 2]" 1
1174 2 43 ARG HB3 2 44 GLY H . . 5.010 3.474 2.936 4.288 . 0 0 "[ . 1 . 2]" 1
1175 2 44 GLY H 2 45 LEU H . . 4.880 4.169 3.812 4.452 . 0 0 "[ . 1 . 2]" 1
1176 2 44 GLY QA 2 45 LEU QB . . 5.340 3.640 3.532 3.759 . 0 0 "[ . 1 . 2]" 1
1177 2 45 LEU H 2 45 LEU QB . . 3.900 2.428 2.293 2.589 . 0 0 "[ . 1 . 2]" 1
1178 2 45 LEU H 2 45 LEU MD1 . . 5.500 4.227 3.933 4.439 . 0 0 "[ . 1 . 2]" 1
1179 2 45 LEU H 2 45 LEU QD . . 4.170 3.842 3.641 4.015 . 0 0 "[ . 1 . 2]" 1
1180 2 45 LEU H 2 45 LEU MD2 . . 5.500 4.422 4.296 4.618 . 0 0 "[ . 1 . 2]" 1
1181 2 45 LEU H 2 46 LYS H . . 4.990 4.310 4.103 4.484 . 0 0 "[ . 1 . 2]" 1
1182 2 45 LEU H 2 46 LYS HA . . 5.330 4.787 4.525 4.974 . 0 0 "[ . 1 . 2]" 1
1183 2 45 LEU HA 2 45 LEU MD1 . . 4.600 2.702 2.155 3.504 . 0 0 "[ . 1 . 2]" 1
1184 2 45 LEU HA 2 45 LEU QD . . 3.960 2.215 2.146 2.302 . 0 0 "[ . 1 . 2]" 1
1185 2 45 LEU HA 2 45 LEU MD2 . . 4.600 3.290 2.201 4.023 . 0 0 "[ . 1 . 2]" 1
1186 2 45 LEU QB 2 46 LYS H . . 4.950 3.762 3.615 3.890 . 0 0 "[ . 1 . 2]" 1
1187 2 45 LEU QB 2 46 LYS HA . . 5.500 4.457 4.125 4.808 . 0 0 "[ . 1 . 2]" 1
1188 2 45 LEU QD 2 46 LYS H . . 4.200 2.297 2.093 2.557 . 0 0 "[ . 1 . 2]" 1
1189 2 45 LEU QD 2 47 VAL HA . . 4.170 3.924 3.367 4.216 0.046 7 0 "[ . 1 . 2]" 1
1190 2 45 LEU QD 2 47 VAL HB . . 4.460 3.034 2.354 4.240 . 0 0 "[ . 1 . 2]" 1
1191 2 45 LEU MD1 2 46 LYS H . . 4.850 2.717 2.098 3.424 . 0 0 "[ . 1 . 2]" 1
1192 2 45 LEU MD2 2 46 LYS H . . 4.850 3.578 2.142 4.747 . 0 0 "[ . 1 . 2]" 1
1193 2 45 LEU HG 2 46 LYS H . . 5.410 3.731 2.656 4.977 . 0 0 "[ . 1 . 2]" 1
1194 2 46 LYS HA 2 46 LYS QD . . 4.650 3.377 2.119 3.942 . 0 0 "[ . 1 . 2]" 1
1195 2 46 LYS HA 2 46 LYS QE . . 5.430 4.568 3.994 4.924 . 0 0 "[ . 1 . 2]" 1
1196 2 46 LYS QB 2 46 LYS QE . . 4.390 3.621 3.519 3.851 . 0 0 "[ . 1 . 2]" 1
1197 2 46 LYS QD 2 46 LYS QG . . 2.400 2.053 2.032 2.079 . 0 0 "[ . 1 . 2]" 1
1198 2 46 LYS QD 2 47 VAL H . . 4.120 3.690 2.510 4.245 0.125 2 0 "[ . 1 . 2]" 1
1199 2 46 LYS QE 2 47 VAL H . . 5.450 4.131 3.863 4.689 . 0 0 "[ . 1 . 2]" 1
1200 2 47 VAL H 2 47 VAL QG . . 3.940 2.219 2.050 2.328 . 0 0 "[ . 1 . 2]" 1
1201 2 47 VAL H 2 48 CYS H . . 5.100 4.342 4.254 4.437 . 0 0 "[ . 1 . 2]" 1
1202 2 47 VAL HB 2 48 CYS H . . 5.090 4.044 2.849 4.167 . 0 0 "[ . 1 . 2]" 1
1203 2 47 VAL QG 2 48 CYS H . . 3.850 2.416 2.327 3.322 . 0 0 "[ . 1 . 2]" 1
1204 2 47 VAL QG 2 48 CYS HA . . 5.110 3.222 3.087 3.555 . 0 0 "[ . 1 . 2]" 1
1205 2 47 VAL QG 2 49 ALA MB . . 3.820 3.523 3.203 3.899 0.079 18 0 "[ . 1 . 2]" 1
1206 2 48 CYS H 2 49 ALA H . . 4.950 4.320 4.225 4.422 . 0 0 "[ . 1 . 2]" 1
1207 2 48 CYS H 2 49 ALA HA . . 5.500 4.729 4.491 4.801 . 0 0 "[ . 1 . 2]" 1
1208 2 48 CYS HA 2 49 ALA MB . . 5.330 3.861 3.794 3.922 . 0 0 "[ . 1 . 2]" 1
1209 2 48 CYS QB 2 49 ALA H . . 4.150 3.024 2.745 3.675 . 0 0 "[ . 1 . 2]" 1
1210 2 49 ALA H 2 50 ASP H . . 5.240 4.249 4.147 4.324 . 0 0 "[ . 1 . 2]" 1
1211 2 49 ALA H 2 50 ASP QB . . 5.340 4.989 4.668 5.232 . 0 0 "[ . 1 . 2]" 1
1212 2 49 ALA HA 2 50 ASP H . . 3.560 2.107 2.021 2.174 . 0 0 "[ . 1 . 2]" 1
1213 2 49 ALA MB 2 50 ASP H . . 3.840 3.130 3.049 3.197 . 0 0 "[ . 1 . 2]" 1
1214 2 49 ALA MB 2 50 ASP HA . . 5.380 4.077 3.969 4.245 . 0 0 "[ . 1 . 2]" 1
1215 2 50 ASP H 2 50 ASP HB2 . . 4.190 3.057 2.754 3.255 . 0 0 "[ . 1 . 2]" 1
1216 2 50 ASP H 2 50 ASP QB . . 3.670 2.446 2.321 2.551 . 0 0 "[ . 1 . 2]" 1
1217 2 50 ASP H 2 50 ASP HB3 . . 4.190 2.578 2.447 2.740 . 0 0 "[ . 1 . 2]" 1
1218 2 50 ASP H 2 51 PRO QD . . 5.020 3.877 3.351 4.387 . 0 0 "[ . 1 . 2]" 1
1219 2 50 ASP QB 2 51 PRO QD . . 5.180 3.649 3.310 3.838 . 0 0 "[ . 1 . 2]" 1
1220 2 51 PRO HA 2 52 GLN QB . . 5.500 4.431 4.309 4.568 . 0 0 "[ . 1 . 2]" 1
1221 2 51 PRO HA 2 52 GLN QG . . 4.660 3.541 3.185 4.464 . 0 0 "[ . 1 . 2]" 1
1222 2 52 GLN H 2 52 GLN QG . . 4.100 2.493 1.692 2.842 . 0 0 "[ . 1 . 2]" 1
1223 2 52 GLN H 2 53 ALA MB . . 5.420 4.843 4.314 5.498 0.078 6 0 "[ . 1 . 2]" 1
1224 2 52 GLN HA 2 53 ALA MB . . 5.500 4.326 3.759 4.901 . 0 0 "[ . 1 . 2]" 1
1225 2 52 GLN QB 2 53 ALA HA . . 5.500 4.271 3.781 4.882 . 0 0 "[ . 1 . 2]" 1
1226 2 52 GLN QG 2 53 ALA H . . 5.500 4.151 2.413 4.741 . 0 0 "[ . 1 . 2]" 1
1227 2 53 ALA MB 2 54 THR H . . 5.020 2.442 1.778 3.444 . 0 0 "[ . 1 . 2]" 1
1228 2 53 ALA MB 2 54 THR HA . . 4.830 4.118 3.709 4.532 . 0 0 "[ . 1 . 2]" 1
1229 2 53 ALA MB 2 55 TRP H . . 5.500 4.173 2.319 5.630 0.130 12 0 "[ . 1 . 2]" 1
1230 2 54 THR HB 2 55 TRP QB . . 5.300 4.278 3.338 5.411 0.111 11 0 "[ . 1 . 2]" 1
1231 2 55 TRP H 2 55 TRP HD1 . . 4.800 3.937 2.528 4.975 0.175 5 0 "[ . 1 . 2]" 1
1232 2 55 TRP HA 2 56 VAL HA . . 5.500 4.415 4.291 4.737 . 0 0 "[ . 1 . 2]" 1
1233 2 55 TRP QB 2 56 VAL QG . . 4.960 4.125 2.727 4.706 . 0 0 "[ . 1 . 2]" 1
1234 2 57 ARG QG 2 58 ASP H . . 4.200 3.337 2.208 4.065 . 0 0 "[ . 1 . 2]" 1
1235 2 57 ARG QG 2 59 VAL H . . 5.200 4.144 2.057 5.239 0.039 3 0 "[ . 1 . 2]" 1
1236 2 58 ASP H 2 59 VAL H . . 4.830 3.806 2.317 4.528 . 0 0 "[ . 1 . 2]" 1
1237 2 58 ASP HA 2 59 VAL H . . 3.460 2.443 2.025 3.484 0.024 18 0 "[ . 1 . 2]" 1
1238 2 58 ASP QB 2 59 VAL H . . 4.220 3.488 2.010 3.992 . 0 0 "[ . 1 . 2]" 1
1239 2 59 VAL H 2 59 VAL HB . . 3.660 3.216 2.552 3.750 0.090 14 0 "[ . 1 . 2]" 1
1240 2 59 VAL HA 2 60 VAL H . . 3.420 2.496 2.010 3.484 0.064 5 0 "[ . 1 . 2]" 1
1241 2 59 VAL QG 2 60 VAL H . . 3.750 3.065 2.134 3.576 . 0 0 "[ . 1 . 2]" 1
1242 2 60 VAL H 2 60 VAL HB . . 3.630 3.095 2.543 3.673 0.043 11 0 "[ . 1 . 2]" 1
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