NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
543101 |
2lsk   |
18434 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsk
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 1462
_Distance_constraint_stats_list.Viol_count 2972
_Distance_constraint_stats_list.Viol_total 5937.161
_Distance_constraint_stats_list.Viol_max 0.855
_Distance_constraint_stats_list.Viol_rms 0.0400
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0999
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.110 0.061 6 0 "[ . 1 . 2]"
1 3 LEU 0.317 0.072 11 0 "[ . 1 . 2]"
1 4 ALA 16.011 0.454 13 0 "[ . 1 . 2]"
1 5 GLY 1.982 0.343 20 0 "[ . 1 . 2]"
1 6 ALA 13.895 0.454 13 0 "[ . 1 . 2]"
1 7 VAL 3.696 0.238 19 0 "[ . 1 . 2]"
1 8 GLU 1.848 0.237 1 0 "[ . 1 . 2]"
1 10 ASN 0.679 0.123 16 0 "[ . 1 . 2]"
1 11 ASP 2.061 0.210 13 0 "[ . 1 . 2]"
1 12 VAL 17.526 0.483 9 0 "[ . 1 . 2]"
1 13 LYS 5.805 0.483 9 0 "[ . 1 . 2]"
1 14 THR 1.002 0.127 6 0 "[ . 1 . 2]"
1 15 LEU 5.713 0.290 15 0 "[ . 1 . 2]"
1 16 LEU 18.788 0.342 20 0 "[ . 1 . 2]"
1 17 ARG 13.400 0.291 16 0 "[ . 1 . 2]"
1 18 GLU 0.369 0.080 14 0 "[ . 1 . 2]"
1 19 TRP 4.870 0.267 19 0 "[ . 1 . 2]"
1 20 ILE 9.033 0.291 16 0 "[ . 1 . 2]"
1 21 THR 4.890 0.201 10 0 "[ . 1 . 2]"
1 22 THR 7.565 0.267 19 0 "[ . 1 . 2]"
1 23 ILE 12.465 0.468 4 0 "[ . 1 . 2]"
1 24 SER 9.238 0.855 3 1 "[ + . 1 . 2]"
1 25 ASP 12.234 0.855 3 1 "[ + . 1 . 2]"
1 26 PRO 1.988 0.389 15 0 "[ . 1 . 2]"
1 27 MET 2.892 0.346 9 0 "[ . 1 . 2]"
1 28 GLU 5.368 0.346 9 0 "[ . 1 . 2]"
1 29 GLU 1.815 0.388 13 0 "[ . 1 . 2]"
1 30 ASP 0.664 0.138 11 0 "[ . 1 . 2]"
1 31 ILE 7.066 0.253 10 0 "[ . 1 . 2]"
1 32 LEU 8.131 0.255 16 0 "[ . 1 . 2]"
1 33 GLN 4.392 0.327 18 0 "[ . 1 . 2]"
1 34 VAL 6.241 0.317 19 0 "[ . 1 . 2]"
1 35 VAL 2.381 0.168 5 0 "[ . 1 . 2]"
1 36 LYS 0.767 0.170 20 0 "[ . 1 . 2]"
1 37 TYR 1.737 0.221 16 0 "[ . 1 . 2]"
1 38 CYS 2.901 0.571 15 1 "[ . 1 + 2]"
1 39 THR 2.163 0.156 3 0 "[ . 1 . 2]"
1 40 ASP 2.443 0.197 9 0 "[ . 1 . 2]"
1 42 ILE 9.366 0.277 14 0 "[ . 1 . 2]"
1 43 GLU 13.005 0.335 5 0 "[ . 1 . 2]"
1 44 GLU 7.694 0.335 5 0 "[ . 1 . 2]"
1 45 LYS 2.185 0.130 15 0 "[ . 1 . 2]"
1 46 ASP 1.836 0.194 12 0 "[ . 1 . 2]"
1 47 LEU 12.633 0.571 15 1 "[ . 1 + 2]"
1 48 GLU 5.417 0.256 20 0 "[ . 1 . 2]"
1 49 LYS 8.561 0.300 16 0 "[ . 1 . 2]"
1 50 LEU 5.447 0.286 10 0 "[ . 1 . 2]"
1 51 ASP 0.828 0.151 3 0 "[ . 1 . 2]"
1 52 LEU 9.759 0.300 16 0 "[ . 1 . 2]"
1 53 VAL 3.453 0.213 8 0 "[ . 1 . 2]"
1 54 ILE 7.886 0.299 13 0 "[ . 1 . 2]"
1 55 LYS 7.164 0.538 20 1 "[ . 1 . +]"
1 56 TYR 0.760 0.140 20 0 "[ . 1 . 2]"
1 57 MET 7.789 0.290 3 0 "[ . 1 . 2]"
1 58 LYS 7.500 0.363 5 0 "[ . 1 . 2]"
1 59 ARG 4.275 0.232 5 0 "[ . 1 . 2]"
1 60 LEU 4.336 0.216 12 0 "[ . 1 . 2]"
1 61 MET 3.768 0.290 3 0 "[ . 1 . 2]"
1 62 GLN 2.071 0.313 14 0 "[ . 1 . 2]"
1 63 GLN 4.011 0.267 11 0 "[ . 1 . 2]"
1 65 VAL 3.998 0.281 1 0 "[ . 1 . 2]"
1 66 GLU 3.520 0.281 1 0 "[ . 1 . 2]"
1 69 TRP 0.697 0.239 18 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.681 0.262 3 0 "[ . 1 . 2]"
1 72 ALA 5.940 0.335 12 0 "[ . 1 . 2]"
1 73 PHE 2.018 0.171 17 0 "[ . 1 . 2]"
1 74 ASP 0.884 0.120 7 0 "[ . 1 . 2]"
1 75 PHE 1.155 0.131 6 0 "[ . 1 . 2]"
1 76 ILE 15.276 0.335 12 0 "[ . 1 . 2]"
1 77 LEU 4.654 0.288 7 0 "[ . 1 . 2]"
1 78 ASP 4.151 0.288 7 0 "[ . 1 . 2]"
1 79 ASN 5.885 0.238 1 0 "[ . 1 . 2]"
1 80 VAL 2.903 0.210 6 0 "[ . 1 . 2]"
1 81 GLN 10.408 0.247 13 0 "[ . 1 . 2]"
1 82 VAL 11.413 0.247 13 0 "[ . 1 . 2]"
1 83 VAL 1.623 0.156 3 0 "[ . 1 . 2]"
1 84 LEU 4.756 0.270 5 0 "[ . 1 . 2]"
1 85 GLN 3.077 0.188 5 0 "[ . 1 . 2]"
1 86 GLN 6.271 0.263 6 0 "[ . 1 . 2]"
1 87 THR 5.129 0.270 5 0 "[ . 1 . 2]"
1 88 TYR 6.194 0.291 11 0 "[ . 1 . 2]"
1 89 GLY 0.021 0.021 20 0 "[ . 1 . 2]"
1 90 SER 0.984 0.163 12 0 "[ . 1 . 2]"
1 91 THR 1.949 0.199 10 0 "[ . 1 . 2]"
1 92 LEU 9.635 0.306 3 0 "[ . 1 . 2]"
1 93 LYS 8.212 0.306 3 0 "[ . 1 . 2]"
1 94 VAL 3.726 0.292 18 0 "[ . 1 . 2]"
1 95 THR 2.531 0.292 18 0 "[ . 1 . 2]"
2 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 THR 5.892 0.323 9 0 "[ . 1 . 2]"
2 6 GLU 8.863 0.362 19 0 "[ . 1 . 2]"
2 8 PHE 1.722 0.198 8 0 "[ . 1 . 2]"
2 9 PHE 17.088 0.327 18 0 "[ . 1 . 2]"
2 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 GLN 3.080 0.278 2 0 "[ . 1 . 2]"
2 12 LYS 4.414 0.680 12 1 "[ . 1 + . 2]"
2 13 SER 4.187 0.352 11 0 "[ . 1 . 2]"
2 14 LEU 1.788 0.408 15 0 "[ . 1 . 2]"
2 15 LEU 3.615 0.250 2 0 "[ . 1 . 2]"
2 16 LEU 6.673 0.408 15 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 4 ALA MB 2 16 LEU QD . . 5.500 5.392 4.728 5.795 0.295 2 0 "[ . 1 . 2]" 1
2 1 4 ALA MB 2 12 LYS QB . . 4.700 2.654 1.716 3.264 . 0 0 "[ . 1 . 2]" 1
3 1 4 ALA MB 2 9 PHE HB3 . . 4.000 4.064 3.225 4.216 0.216 9 0 "[ . 1 . 2]" 1
4 1 4 ALA MB 2 13 SER HB2 . . 3.640 3.659 3.544 3.755 0.115 5 0 "[ . 1 . 2]" 1
5 1 4 ALA MB 2 9 PHE HA . . 3.720 2.126 1.762 2.440 . 0 0 "[ . 1 . 2]" 1
6 1 4 ALA MB 2 13 SER HA . . 4.540 4.638 4.511 4.795 0.255 6 0 "[ . 1 . 2]" 1
7 1 4 ALA MB 2 9 PHE HE2 . . 4.810 3.833 3.415 4.186 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA MB 2 9 PHE HD2 . . 3.220 3.340 2.725 3.497 0.277 10 0 "[ . 1 . 2]" 1
9 1 4 ALA MB 2 9 PHE HD1 . . 4.060 3.345 3.003 4.111 0.051 12 0 "[ . 1 . 2]" 1
10 1 5 GLY HA2 2 16 LEU QD . . 5.500 2.190 1.603 3.119 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLY HA2 2 16 LEU QB . . 5.000 2.940 1.853 4.544 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLY HA3 2 16 LEU QD . . 5.500 3.025 1.958 4.064 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLY HA3 2 16 LEU QB . . 5.000 3.302 2.019 5.343 0.343 20 0 "[ . 1 . 2]" 1
14 1 15 LEU QD 2 9 PHE QB . . 5.500 5.167 4.684 5.459 . 0 0 "[ . 1 . 2]" 1
15 1 15 LEU QD 2 12 LYS HB2 . . 4.430 3.810 3.340 4.301 . 0 0 "[ . 1 . 2]" 1
16 1 16 LEU HG 2 9 PHE HE2 . . 5.000 4.501 4.293 4.948 . 0 0 "[ . 1 . 2]" 1
17 1 16 LEU HG 2 9 PHE HZ . . 5.500 5.039 4.663 5.557 0.057 18 0 "[ . 1 . 2]" 1
18 1 16 LEU MD1 2 9 PHE HD2 . . 5.500 4.052 3.651 4.603 . 0 0 "[ . 1 . 2]" 1
19 1 16 LEU MD1 2 9 PHE HE2 . . 5.500 2.203 1.943 2.776 . 0 0 "[ . 1 . 2]" 1
20 1 16 LEU MD2 2 9 PHE HE2 . . 5.000 2.465 2.279 2.660 . 0 0 "[ . 1 . 2]" 1
21 1 16 LEU MD2 2 9 PHE HZ . . 4.000 3.266 2.485 3.706 . 0 0 "[ . 1 . 2]" 1
22 1 16 LEU MD2 2 9 PHE HD2 . . 4.000 3.049 2.673 3.758 . 0 0 "[ . 1 . 2]" 1
23 1 16 LEU MD2 2 9 PHE HE1 . . 5.000 4.398 3.611 4.902 . 0 0 "[ . 1 . 2]" 1
24 1 23 ILE MD 2 8 PHE HA . . 5.500 5.185 4.185 5.623 0.123 14 0 "[ . 1 . 2]" 1
25 1 23 ILE MD 2 8 PHE QD . . 4.320 3.159 1.817 3.891 . 0 0 "[ . 1 . 2]" 1
26 1 23 ILE MD 2 8 PHE QE . . 3.990 3.249 2.729 3.882 . 0 0 "[ . 1 . 2]" 1
27 1 23 ILE MD 2 8 PHE HZ . . 5.000 3.864 2.718 5.122 0.122 12 0 "[ . 1 . 2]" 1
28 1 23 ILE MG 2 8 PHE QE . . 5.000 4.555 3.268 5.198 0.198 8 0 "[ . 1 . 2]" 1
29 1 27 MET ME 2 5 THR MG . . 4.000 3.271 2.068 4.218 0.218 9 0 "[ . 1 . 2]" 1
30 1 27 MET ME 2 6 GLU HA . . 4.700 4.175 2.418 4.816 0.116 1 0 "[ . 1 . 2]" 1
31 1 27 MET ME 2 5 THR HB . . 4.700 3.256 1.778 4.783 0.083 9 0 "[ . 1 . 2]" 1
32 1 27 MET ME 2 6 GLU HG3 . . 4.140 3.902 2.617 4.369 0.229 13 0 "[ . 1 . 2]" 1
33 1 27 MET ME 2 5 THR HA . . 4.700 3.139 1.800 4.739 0.039 9 0 "[ . 1 . 2]" 1
34 1 34 VAL MG1 2 9 PHE HE2 . . 4.000 2.982 1.995 3.345 . 0 0 "[ . 1 . 2]" 1
35 1 34 VAL MG1 2 9 PHE HZ . . 5.000 3.009 2.239 3.336 . 0 0 "[ . 1 . 2]" 1
36 1 34 VAL MG1 2 9 PHE HD2 . . 5.000 4.845 3.681 5.230 0.230 10 0 "[ . 1 . 2]" 1
37 1 34 VAL MG1 2 9 PHE HE1 . . 5.000 4.958 4.130 5.317 0.317 19 0 "[ . 1 . 2]" 1
38 1 33 GLN HG2 2 9 PHE HB3 . . 5.000 3.616 3.225 4.110 . 0 0 "[ . 1 . 2]" 1
39 1 33 GLN HG2 2 9 PHE HD2 . . 5.500 5.582 5.033 5.781 0.281 1 0 "[ . 1 . 2]" 1
40 1 33 GLN HG3 2 9 PHE HD2 . . 5.500 5.276 4.094 5.827 0.327 18 0 "[ . 1 . 2]" 1
41 1 33 GLN HG3 2 9 PHE HB3 . . 5.000 3.012 2.406 5.017 0.017 18 0 "[ . 1 . 2]" 1
42 1 33 GLN HG3 2 9 PHE HD1 . . 5.500 2.848 2.417 5.537 0.037 18 0 "[ . 1 . 2]" 1
43 1 33 GLN HG2 2 9 PHE HD1 . . 5.500 4.158 3.897 4.801 . 0 0 "[ . 1 . 2]" 1
44 1 33 GLN HB3 2 9 PHE HD2 . . 5.500 5.302 3.242 5.628 0.128 11 0 "[ . 1 . 2]" 1
45 1 33 GLN HB2 2 9 PHE HD2 . . 5.500 4.274 3.521 4.502 . 0 0 "[ . 1 . 2]" 1
46 1 18 GLU HB2 2 8 PHE QE . . 4.700 4.373 3.633 4.768 0.068 15 0 "[ . 1 . 2]" 1
47 1 18 GLU HB2 2 8 PHE HZ . . 5.500 4.942 2.817 5.580 0.080 14 0 "[ . 1 . 2]" 1
48 1 15 LEU QD 2 8 PHE QE . . 4.700 3.202 1.873 4.234 . 0 0 "[ . 1 . 2]" 1
49 1 22 THR MG 2 8 PHE QE . . 4.500 3.656 2.276 4.691 0.191 19 0 "[ . 1 . 2]" 1
50 1 19 TRP HB2 2 8 PHE QE . . 4.500 2.749 2.091 3.320 . 0 0 "[ . 1 . 2]" 1
51 1 19 TRP HB2 2 8 PHE HZ . . 5.500 4.745 2.890 5.276 . 0 0 "[ . 1 . 2]" 1
52 2 16 LEU HA 2 16 LEU MD2 . . 4.210 3.157 2.106 3.642 . 0 0 "[ . 1 . 2]" 1
53 2 16 LEU HA 2 16 LEU MD1 . . 4.130 3.701 1.977 4.212 0.082 19 0 "[ . 1 . 2]" 1
54 2 12 LYS HA 2 12 LYS QD . . 3.770 2.391 1.912 3.331 . 0 0 "[ . 1 . 2]" 1
55 2 13 SER HA 2 16 LEU MD2 . . 4.650 2.961 2.246 3.500 . 0 0 "[ . 1 . 2]" 1
56 2 15 LEU HA 2 16 LEU MD2 . . 4.980 4.140 2.934 5.029 0.049 12 0 "[ . 1 . 2]" 1
57 2 14 LEU HA 2 16 LEU MD2 . . 5.500 3.788 2.917 5.610 0.110 15 0 "[ . 1 . 2]" 1
58 2 12 LYS HA 2 12 LYS QE . . 4.870 3.605 2.166 4.668 . 0 0 "[ . 1 . 2]" 1
59 2 9 PHE H 2 9 PHE HD2 . . 4.740 4.543 4.364 4.973 0.233 12 0 "[ . 1 . 2]" 1
60 2 9 PHE HB3 2 12 LYS H . . 5.500 5.657 5.601 5.730 0.230 3 0 "[ . 1 . 2]" 1
61 2 12 LYS H 2 12 LYS QE . . 4.940 4.492 3.039 5.620 0.680 12 1 "[ . 1 + . 2]" 1
62 2 5 THR H 2 6 GLU H . . 4.140 4.234 3.993 4.463 0.323 9 0 "[ . 1 . 2]" 1
63 2 5 THR H 2 5 THR MG . . 3.870 3.001 2.503 3.547 . 0 0 "[ . 1 . 2]" 1
64 2 5 THR H 2 5 THR HB . . 3.800 3.687 3.493 3.859 0.059 10 0 "[ . 1 . 2]" 1
65 2 9 PHE HA 2 9 PHE HD2 . . 3.670 3.701 3.423 3.893 0.223 10 0 "[ . 1 . 2]" 1
66 2 13 SER HA 2 14 LEU H . . 3.530 3.448 3.375 3.495 . 0 0 "[ . 1 . 2]" 1
67 2 12 LYS H 2 12 LYS QD . . 3.480 3.027 2.312 3.740 0.260 12 0 "[ . 1 . 2]" 1
68 2 13 SER H 2 13 SER HB3 . . 4.000 2.581 2.428 2.736 . 0 0 "[ . 1 . 2]" 1
69 2 13 SER H 2 13 SER HB2 . . 4.000 2.548 2.360 2.691 . 0 0 "[ . 1 . 2]" 1
70 2 6 GLU H 2 6 GLU HB2 . . 3.680 3.482 2.464 3.878 0.198 5 0 "[ . 1 . 2]" 1
71 2 6 GLU H 2 6 GLU HB3 . . 3.680 3.500 2.823 4.042 0.362 19 0 "[ . 1 . 2]" 1
72 2 6 GLU H 2 6 GLU QG . . 3.570 2.517 2.093 3.244 . 0 0 "[ . 1 . 2]" 1
73 2 11 GLN H 2 11 GLN HG2 . . 4.510 3.786 2.187 4.561 0.051 4 0 "[ . 1 . 2]" 1
74 2 11 GLN H 2 11 GLN HG3 . . 4.510 4.029 2.185 4.578 0.068 2 0 "[ . 1 . 2]" 1
75 2 11 GLN HB2 2 11 GLN HE22 . . 5.490 4.818 3.803 5.428 . 0 0 "[ . 1 . 2]" 1
76 2 11 GLN HB3 2 11 GLN HE22 . . 5.490 4.564 3.467 5.422 . 0 0 "[ . 1 . 2]" 1
77 2 16 LEU H 2 16 LEU MD2 . . 3.820 2.162 1.540 2.747 . 0 0 "[ . 1 . 2]" 1
78 2 14 LEU H 2 16 LEU MD2 . . 4.100 4.003 3.579 4.508 0.408 15 0 "[ . 1 . 2]" 1
79 2 15 LEU H 2 16 LEU MD2 . . 4.430 3.736 3.048 4.377 . 0 0 "[ . 1 . 2]" 1
80 2 15 LEU H 2 16 LEU H . . 3.790 2.583 2.165 3.424 . 0 0 "[ . 1 . 2]" 1
81 2 5 THR HA 2 6 GLU H . . 2.980 2.213 2.070 3.063 0.083 7 0 "[ . 1 . 2]" 1
82 2 5 THR HB 2 6 GLU H . . 3.660 3.301 1.671 3.851 0.191 5 0 "[ . 1 . 2]" 1
83 2 4 GLY QA 2 5 THR H . . 3.240 2.351 2.144 2.781 . 0 0 "[ . 1 . 2]" 1
84 2 13 SER HB2 2 14 LEU H . . 4.300 4.147 4.011 4.303 0.003 17 0 "[ . 1 . 2]" 1
85 2 13 SER HB3 2 14 LEU H . . 4.300 3.168 2.870 3.450 . 0 0 "[ . 1 . 2]" 1
86 2 15 LEU HA 2 16 LEU H . . 3.290 3.319 2.502 3.540 0.250 2 0 "[ . 1 . 2]" 1
87 2 5 THR MG 2 6 GLU H . . 3.760 3.795 2.893 4.004 0.244 3 0 "[ . 1 . 2]" 1
88 2 8 PHE HA 2 8 PHE QD . . 4.440 2.653 2.047 3.791 . 0 0 "[ . 1 . 2]" 1
89 2 9 PHE QB 2 9 PHE HD2 . . 3.160 2.264 2.216 2.312 . 0 0 "[ . 1 . 2]" 1
90 2 12 LYS H 2 12 LYS QB . . 3.410 2.377 2.105 2.591 . 0 0 "[ . 1 . 2]" 1
91 2 12 LYS H 2 12 LYS QG . . 4.370 3.052 2.111 4.020 . 0 0 "[ . 1 . 2]" 1
92 2 12 LYS HA 2 12 LYS QG . . 3.630 2.786 2.397 3.129 . 0 0 "[ . 1 . 2]" 1
93 2 12 LYS QB 2 12 LYS QD . . 2.970 2.595 2.338 2.978 0.008 7 0 "[ . 1 . 2]" 1
94 2 11 GLN H 2 11 GLN QB . . 3.690 2.291 2.126 2.556 . 0 0 "[ . 1 . 2]" 1
95 2 11 GLN H 2 11 GLN QG . . 3.730 3.354 2.161 4.008 0.278 2 0 "[ . 1 . 2]" 1
96 2 11 GLN HA 2 11 GLN QG . . 3.670 2.677 2.409 3.108 . 0 0 "[ . 1 . 2]" 1
97 2 11 GLN HA 2 11 GLN QE . . 5.050 3.947 2.202 4.950 . 0 0 "[ . 1 . 2]" 1
98 2 11 GLN QE 2 11 GLN QG . . 3.070 2.212 2.143 2.672 . 0 0 "[ . 1 . 2]" 1
99 2 13 SER QB 2 16 LEU MD2 . . 4.540 4.484 3.907 4.892 0.352 11 0 "[ . 1 . 2]" 1
100 2 14 LEU H 2 14 LEU QB . . 2.900 2.329 2.237 2.429 . 0 0 "[ . 1 . 2]" 1
101 2 14 LEU QB 2 15 LEU H . . 3.840 2.663 1.887 3.191 . 0 0 "[ . 1 . 2]" 1
102 2 15 LEU H 2 15 LEU QD . . 3.590 3.402 2.002 3.799 0.209 17 0 "[ . 1 . 2]" 1
103 2 15 LEU HA 2 15 LEU QD . . 3.520 2.294 1.946 3.376 . 0 0 "[ . 1 . 2]" 1
104 2 10 LYS HA 2 13 SER H . . 4.000 3.405 2.762 3.794 . 0 0 "[ . 1 . 2]" 1
105 2 11 GLN HA 2 14 LEU H . . 4.000 3.783 3.343 4.127 0.127 15 0 "[ . 1 . 2]" 1
106 2 12 LYS HA 2 15 LEU H . . 4.000 3.215 2.676 3.860 . 0 0 "[ . 1 . 2]" 1
107 2 13 SER HA 2 16 LEU H . . 4.500 4.133 3.654 4.498 . 0 0 "[ . 1 . 2]" 1
108 2 10 LYS H 2 11 GLN H . . 4.500 2.704 2.537 2.940 . 0 0 "[ . 1 . 2]" 1
109 1 54 ILE H 1 54 ILE MD . . 4.030 3.437 3.296 3.613 . 0 0 "[ . 1 . 2]" 1
110 1 54 ILE H 1 54 ILE HG13 . . 4.070 3.753 3.662 3.851 . 0 0 "[ . 1 . 2]" 1
111 1 54 ILE H 1 54 ILE HG12 . . 4.260 2.355 2.213 2.518 . 0 0 "[ . 1 . 2]" 1
112 1 34 VAL MG1 1 35 VAL H . . 4.330 4.184 4.026 4.445 0.115 4 0 "[ . 1 . 2]" 1
113 1 35 VAL H 1 35 VAL HB . . 3.840 2.552 2.434 2.660 . 0 0 "[ . 1 . 2]" 1
114 1 34 VAL H 1 35 VAL H . . 4.160 2.489 2.392 2.585 . 0 0 "[ . 1 . 2]" 1
115 1 42 ILE H 1 43 GLU H . . 3.980 2.654 2.491 2.732 . 0 0 "[ . 1 . 2]" 1
116 1 94 VAL H 1 95 THR H . . 3.330 2.252 1.849 3.524 0.194 9 0 "[ . 1 . 2]" 1
117 1 95 THR H 1 95 THR HB . . 2.700 2.721 2.564 2.919 0.219 15 0 "[ . 1 . 2]" 1
118 1 81 GLN HB3 1 82 VAL H . . 4.090 3.769 3.635 3.948 . 0 0 "[ . 1 . 2]" 1
119 1 81 GLN H 1 82 VAL H . . 3.720 2.577 2.515 2.625 . 0 0 "[ . 1 . 2]" 1
120 1 82 VAL H 1 83 VAL H . . 3.570 2.617 2.478 2.705 . 0 0 "[ . 1 . 2]" 1
121 1 82 VAL H 1 82 VAL MG1 . . 3.490 2.324 2.230 2.456 . 0 0 "[ . 1 . 2]" 1
122 1 51 ASP H 1 51 ASP QB . . 3.160 2.257 2.186 2.554 . 0 0 "[ . 1 . 2]" 1
123 1 50 LEU H 1 51 ASP H . . 3.730 2.619 2.474 2.794 . 0 0 "[ . 1 . 2]" 1
124 1 17 ARG H 1 19 TRP H . . 4.340 3.974 3.801 4.175 . 0 0 "[ . 1 . 2]" 1
125 1 17 ARG H 1 17 ARG QG . . 4.070 3.970 3.934 4.001 . 0 0 "[ . 1 . 2]" 1
126 1 17 ARG H 1 17 ARG HB3 . . 3.860 2.636 2.472 2.727 . 0 0 "[ . 1 . 2]" 1
127 1 79 ASN H 1 79 ASN HD21 . . 3.600 2.045 1.921 2.162 . 0 0 "[ . 1 . 2]" 1
128 1 79 ASN H 1 79 ASN HD22 . . 4.360 3.633 3.544 3.701 . 0 0 "[ . 1 . 2]" 1
129 1 21 THR H 1 22 THR H . . 4.010 2.319 2.042 2.457 . 0 0 "[ . 1 . 2]" 1
130 1 62 GLN H 1 63 GLN H . . 3.920 2.645 2.438 2.813 . 0 0 "[ . 1 . 2]" 1
131 1 63 GLN H 1 63 GLN QB . . 3.570 2.291 2.150 2.508 . 0 0 "[ . 1 . 2]" 1
132 1 32 LEU H 1 33 GLN H . . 4.160 2.706 2.661 2.795 . 0 0 "[ . 1 . 2]" 1
133 1 31 ILE MG 1 32 LEU H . . 4.240 3.506 3.284 3.661 . 0 0 "[ . 1 . 2]" 1
134 1 32 LEU H 1 32 LEU HB3 . . 3.510 3.537 3.490 3.578 0.068 19 0 "[ . 1 . 2]" 1
135 1 32 LEU H 1 32 LEU HB2 . . 4.140 2.258 2.203 2.322 . 0 0 "[ . 1 . 2]" 1
136 1 38 CYS H 1 39 THR H . . 3.940 2.701 2.602 2.862 . 0 0 "[ . 1 . 2]" 1
137 1 71 MET H 1 71 MET ME . . 4.770 4.138 3.096 4.858 0.088 15 0 "[ . 1 . 2]" 1
138 1 84 LEU H 1 85 GLN H . . 3.540 2.548 2.437 2.726 . 0 0 "[ . 1 . 2]" 1
139 1 85 GLN H 1 86 GLN H . . 3.640 2.478 2.355 2.560 . 0 0 "[ . 1 . 2]" 1
140 1 85 GLN H 1 85 GLN QG . . 3.420 2.679 2.505 2.916 . 0 0 "[ . 1 . 2]" 1
141 1 85 GLN H 1 85 GLN HB2 . . 2.930 2.338 2.234 2.431 . 0 0 "[ . 1 . 2]" 1
142 1 78 ASP H 1 78 ASP HB3 . . 3.190 2.520 2.442 2.600 . 0 0 "[ . 1 . 2]" 1
143 1 78 ASP H 1 79 ASN H . . 3.560 2.880 2.771 3.000 . 0 0 "[ . 1 . 2]" 1
144 1 78 ASP H 1 78 ASP HB2 . . 3.190 2.538 2.476 2.636 . 0 0 "[ . 1 . 2]" 1
145 1 77 LEU H 1 78 ASP H . . 3.460 2.689 2.617 2.798 . 0 0 "[ . 1 . 2]" 1
146 1 70 ASN H 1 70 ASN HB3 . . 3.850 2.953 2.433 3.667 . 0 0 "[ . 1 . 2]" 1
147 1 70 ASN H 1 70 ASN HB2 . . 3.850 2.542 2.396 2.717 . 0 0 "[ . 1 . 2]" 1
148 1 60 LEU H 1 60 LEU HB2 . . 3.850 2.368 2.295 2.422 . 0 0 "[ . 1 . 2]" 1
149 1 60 LEU H 1 60 LEU HB3 . . 3.850 3.572 3.545 3.595 . 0 0 "[ . 1 . 2]" 1
150 1 60 LEU H 1 60 LEU HG . . 3.560 2.508 2.245 2.730 . 0 0 "[ . 1 . 2]" 1
151 1 85 GLN HA 1 90 SER H . . 3.810 2.749 2.240 3.382 . 0 0 "[ . 1 . 2]" 1
152 1 91 THR H 1 91 THR MG . . 3.990 3.066 2.446 3.426 . 0 0 "[ . 1 . 2]" 1
153 1 56 TYR H 1 57 MET H . . 3.640 2.739 2.538 2.944 . 0 0 "[ . 1 . 2]" 1
154 1 56 TYR H 1 56 TYR HB3 . . 3.560 3.433 2.748 3.591 0.031 7 0 "[ . 1 . 2]" 1
155 1 56 TYR H 1 56 TYR HB2 . . 3.560 2.279 2.137 2.399 . 0 0 "[ . 1 . 2]" 1
156 1 87 THR H 1 87 THR MG . . 3.690 2.033 1.975 2.095 . 0 0 "[ . 1 . 2]" 1
157 1 84 LEU HA 1 87 THR H . . 3.660 3.258 3.131 3.398 . 0 0 "[ . 1 . 2]" 1
158 1 87 THR H 1 87 THR HB . . 3.350 2.821 2.744 2.952 . 0 0 "[ . 1 . 2]" 1
159 1 93 LYS H 1 93 LYS HB2 . . 3.940 2.842 2.415 3.804 . 0 0 "[ . 1 . 2]" 1
160 1 45 LYS H 1 46 ASP H . . 3.320 2.670 2.561 2.743 . 0 0 "[ . 1 . 2]" 1
161 1 46 ASP H 1 47 LEU H . . 3.720 3.021 2.590 3.598 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL H 1 13 LYS H . . 4.060 2.632 2.509 2.700 . 0 0 "[ . 1 . 2]" 1
163 1 12 VAL H 1 12 VAL HB . . 3.750 3.692 3.668 3.719 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL H 1 12 VAL MG2 . . 3.960 2.327 2.240 2.416 . 0 0 "[ . 1 . 2]" 1
165 1 50 LEU H 1 50 LEU HB2 . . 3.740 2.454 2.201 2.628 . 0 0 "[ . 1 . 2]" 1
166 1 50 LEU H 1 50 LEU HB3 . . 3.740 2.664 2.521 3.486 . 0 0 "[ . 1 . 2]" 1
167 1 23 ILE HA 1 25 ASP H . . 4.830 4.085 3.336 4.751 . 0 0 "[ . 1 . 2]" 1
168 1 25 ASP H 1 25 ASP HB3 . . 4.050 2.684 2.332 3.128 . 0 0 "[ . 1 . 2]" 1
169 1 58 LYS QB 1 59 ARG H . . 3.600 2.380 2.179 2.614 . 0 0 "[ . 1 . 2]" 1
170 1 59 ARG H 1 59 ARG HG3 . . 4.690 4.484 4.402 4.573 . 0 0 "[ . 1 . 2]" 1
171 1 59 ARG H 1 59 ARG QB . . 3.110 2.198 2.121 2.224 . 0 0 "[ . 1 . 2]" 1
172 1 45 LYS H 1 45 LYS QB . . 3.660 3.403 3.334 3.468 . 0 0 "[ . 1 . 2]" 1
173 1 85 GLN HB2 1 86 GLN H . . 3.930 2.954 2.732 3.107 . 0 0 "[ . 1 . 2]" 1
174 1 45 LYS H 1 45 LYS HG3 . . 4.420 4.401 3.343 4.497 0.077 16 0 "[ . 1 . 2]" 1
175 1 45 LYS H 1 45 LYS HD2 . . 4.700 3.619 2.330 4.594 . 0 0 "[ . 1 . 2]" 1
176 1 35 VAL H 1 36 LYS H . . 3.980 2.777 2.685 2.839 . 0 0 "[ . 1 . 2]" 1
177 1 36 LYS H 1 36 LYS QG . . 4.010 2.396 2.152 3.685 . 0 0 "[ . 1 . 2]" 1
178 1 36 LYS H 1 36 LYS HB2 . . 4.030 2.587 2.209 2.783 . 0 0 "[ . 1 . 2]" 1
179 1 36 LYS H 1 37 TYR H . . 4.160 2.621 2.509 2.726 . 0 0 "[ . 1 . 2]" 1
180 1 36 LYS H 1 36 LYS HB3 . . 4.030 3.657 3.508 3.691 . 0 0 "[ . 1 . 2]" 1
181 1 58 LYS H 1 58 LYS QB . . 3.280 2.227 2.166 2.298 . 0 0 "[ . 1 . 2]" 1
182 1 58 LYS H 1 58 LYS QG . . 4.320 4.028 3.941 4.089 . 0 0 "[ . 1 . 2]" 1
183 1 58 LYS H 1 59 ARG H . . 3.620 2.657 2.427 2.832 . 0 0 "[ . 1 . 2]" 1
184 1 58 LYS H 1 58 LYS QD . . 4.600 4.426 3.884 4.762 0.162 6 0 "[ . 1 . 2]" 1
185 1 11 ASP H 1 12 VAL H . . 3.610 2.634 2.528 2.734 . 0 0 "[ . 1 . 2]" 1
186 1 10 ASN H 1 11 ASP H . . 3.860 2.411 2.297 2.518 . 0 0 "[ . 1 . 2]" 1
187 1 16 LEU H 1 16 LEU HG . . 5.150 2.611 2.394 2.839 . 0 0 "[ . 1 . 2]" 1
188 1 30 ASP H 1 31 ILE H . . 4.050 2.717 2.451 2.834 . 0 0 "[ . 1 . 2]" 1
189 1 29 GLU H 1 30 ASP H . . 4.220 2.841 2.695 2.979 . 0 0 "[ . 1 . 2]" 1
190 1 87 THR H 1 88 TYR H . . 2.700 2.614 2.452 2.729 0.029 14 0 "[ . 1 . 2]" 1
191 1 88 TYR H 1 89 GLY H . . 2.810 2.173 2.018 2.341 . 0 0 "[ . 1 . 2]" 1
192 1 33 GLN H 1 33 GLN HB2 . . 4.160 2.592 2.305 2.729 . 0 0 "[ . 1 . 2]" 1
193 1 33 GLN H 1 33 GLN HG2 . . 4.070 2.442 2.158 4.135 0.065 18 0 "[ . 1 . 2]" 1
194 1 33 GLN H 1 33 GLN HG3 . . 4.070 3.766 2.850 3.925 . 0 0 "[ . 1 . 2]" 1
195 1 47 LEU H 1 47 LEU HB3 . . 3.580 3.036 2.913 3.210 . 0 0 "[ . 1 . 2]" 1
196 1 47 LEU H 1 47 LEU HB2 . . 3.170 2.207 2.153 2.295 . 0 0 "[ . 1 . 2]" 1
197 1 28 GLU H 1 28 GLU HB3 . . 3.920 2.537 2.417 2.799 . 0 0 "[ . 1 . 2]" 1
198 1 28 GLU H 1 28 GLU HB2 . . 3.920 3.461 2.473 3.675 . 0 0 "[ . 1 . 2]" 1
199 1 28 GLU H 1 29 GLU H . . 4.250 2.763 2.522 3.093 . 0 0 "[ . 1 . 2]" 1
200 1 21 THR H 1 21 THR MG . . 3.610 2.655 2.523 2.869 . 0 0 "[ . 1 . 2]" 1
201 1 92 LEU H 1 92 LEU MD1 . . 4.780 4.294 4.072 4.537 . 0 0 "[ . 1 . 2]" 1
202 1 92 LEU H 1 92 LEU MD2 . . 4.780 3.994 2.198 4.594 . 0 0 "[ . 1 . 2]" 1
203 1 76 ILE H 1 76 ILE HB . . 3.940 2.449 2.350 2.506 . 0 0 "[ . 1 . 2]" 1
204 1 76 ILE H 1 77 LEU H . . 4.090 2.651 2.583 2.752 . 0 0 "[ . 1 . 2]" 1
205 1 31 ILE MG 1 76 ILE H . . 4.330 3.469 3.008 3.827 . 0 0 "[ . 1 . 2]" 1
206 1 48 GLU H 1 48 GLU HB3 . . 3.240 2.558 2.455 2.670 . 0 0 "[ . 1 . 2]" 1
207 1 48 GLU H 1 48 GLU HG3 . . 3.840 3.135 2.165 3.467 . 0 0 "[ . 1 . 2]" 1
208 1 47 LEU H 1 48 GLU H . . 3.120 2.474 2.327 2.547 . 0 0 "[ . 1 . 2]" 1
209 1 48 GLU H 1 48 GLU HB2 . . 3.640 3.590 3.555 3.641 0.001 16 0 "[ . 1 . 2]" 1
210 1 31 ILE H 1 31 ILE HB . . 3.730 2.621 2.496 2.781 . 0 0 "[ . 1 . 2]" 1
211 1 15 LEU H 1 15 LEU HB2 . . 3.740 2.466 2.381 2.576 . 0 0 "[ . 1 . 2]" 1
212 1 15 LEU H 1 15 LEU QD . . 3.860 3.868 3.842 3.899 0.039 20 0 "[ . 1 . 2]" 1
213 1 15 LEU H 1 16 LEU H . . 4.140 2.573 2.410 2.694 . 0 0 "[ . 1 . 2]" 1
214 1 15 LEU H 1 15 LEU HB3 . . 3.740 2.687 2.620 2.757 . 0 0 "[ . 1 . 2]" 1
215 1 23 ILE H 1 23 ILE MD . . 4.340 3.630 3.330 4.172 . 0 0 "[ . 1 . 2]" 1
216 1 23 ILE H 1 23 ILE HB . . 4.100 2.503 2.330 2.729 . 0 0 "[ . 1 . 2]" 1
217 1 79 ASN HA 1 79 ASN HD22 . . 4.300 3.707 3.646 3.757 . 0 0 "[ . 1 . 2]" 1
218 1 4 ALA H 1 4 ALA MB . . 3.620 2.804 2.140 2.894 . 0 0 "[ . 1 . 2]" 1
219 1 4 ALA H 1 5 GLY H . . 3.990 2.825 2.619 4.035 0.045 12 0 "[ . 1 . 2]" 1
220 1 43 GLU H 1 44 GLU H . . 3.740 2.565 2.489 2.666 . 0 0 "[ . 1 . 2]" 1
221 1 44 GLU H 1 44 GLU QB . . 3.250 2.442 2.366 2.490 . 0 0 "[ . 1 . 2]" 1
222 1 34 VAL H 1 34 VAL HB . . 3.680 3.190 2.980 3.684 0.004 18 0 "[ . 1 . 2]" 1
223 1 77 LEU H 1 77 LEU HB3 . . 3.450 3.275 2.676 3.524 0.074 7 0 "[ . 1 . 2]" 1
224 1 76 ILE MG 1 77 LEU H . . 3.500 2.105 2.041 2.159 . 0 0 "[ . 1 . 2]" 1
225 1 77 LEU H 1 77 LEU HB2 . . 3.760 2.176 2.128 2.411 . 0 0 "[ . 1 . 2]" 1
226 1 60 LEU H 1 61 MET H . . 3.650 2.693 2.481 2.895 . 0 0 "[ . 1 . 2]" 1
227 1 61 MET H 1 61 MET QB . . 2.550 2.387 2.202 2.565 0.015 18 0 "[ . 1 . 2]" 1
228 1 61 MET H 1 61 MET HG3 . . 4.630 2.724 2.406 4.430 . 0 0 "[ . 1 . 2]" 1
229 1 61 MET H 1 62 GLN H . . 3.660 2.582 2.415 2.693 . 0 0 "[ . 1 . 2]" 1
230 1 7 VAL H 1 8 GLU H . . 3.670 2.111 1.854 2.284 . 0 0 "[ . 1 . 2]" 1
231 1 7 VAL H 1 7 VAL HB . . 3.700 2.900 2.449 3.476 . 0 0 "[ . 1 . 2]" 1
232 1 66 GLU H 1 66 GLU HG3 . . 4.160 3.104 1.827 4.270 0.110 15 0 "[ . 1 . 2]" 1
233 1 66 GLU H 1 66 GLU HG2 . . 4.160 2.969 1.896 4.212 0.052 1 0 "[ . 1 . 2]" 1
234 1 65 VAL H 1 66 GLU H . . 4.750 3.831 2.035 4.677 . 0 0 "[ . 1 . 2]" 1
235 1 14 THR H 1 14 THR HB . . 3.610 2.547 2.407 2.687 . 0 0 "[ . 1 . 2]" 1
236 1 14 THR H 1 14 THR MG . . 3.960 3.783 3.764 3.806 . 0 0 "[ . 1 . 2]" 1
237 1 72 ALA H 1 73 PHE H . . 3.740 2.664 2.468 2.891 . 0 0 "[ . 1 . 2]" 1
238 1 73 PHE H 1 73 PHE HB3 . . 3.750 2.467 2.237 3.673 . 0 0 "[ . 1 . 2]" 1
239 1 73 PHE H 1 73 PHE HB2 . . 3.750 2.689 2.561 2.933 . 0 0 "[ . 1 . 2]" 1
240 1 73 PHE H 1 74 ASP H . . 3.660 2.655 2.467 2.900 . 0 0 "[ . 1 . 2]" 1
241 1 36 LYS HB2 1 37 TYR H . . 4.350 2.665 2.329 2.901 . 0 0 "[ . 1 . 2]" 1
242 1 37 TYR H 1 37 TYR QD . . 4.250 4.219 4.153 4.254 0.004 19 0 "[ . 1 . 2]" 1
243 1 37 TYR H 1 37 TYR QB . . 3.470 2.240 2.194 2.306 . 0 0 "[ . 1 . 2]" 1
244 1 37 TYR H 1 38 CYS H . . 3.810 2.715 2.553 2.864 . 0 0 "[ . 1 . 2]" 1
245 1 36 LYS HB3 1 37 TYR H . . 4.350 3.697 3.205 3.919 . 0 0 "[ . 1 . 2]" 1
246 1 49 LYS H 1 49 LYS HB2 . . 3.350 2.281 2.143 2.358 . 0 0 "[ . 1 . 2]" 1
247 1 49 LYS H 1 49 LYS HB3 . . 3.350 3.245 2.663 3.562 0.212 15 0 "[ . 1 . 2]" 1
248 1 49 LYS H 1 49 LYS HG2 . . 4.490 3.365 2.525 4.351 . 0 0 "[ . 1 . 2]" 1
249 1 48 GLU H 1 49 LYS H . . 3.520 2.707 2.504 2.868 . 0 0 "[ . 1 . 2]" 1
250 1 49 LYS H 1 49 LYS HG3 . . 4.490 4.123 3.700 4.544 0.054 10 0 "[ . 1 . 2]" 1
251 1 29 GLU H 1 29 GLU HG2 . . 4.270 2.746 1.973 4.426 0.156 13 0 "[ . 1 . 2]" 1
252 1 40 ASP H 1 40 ASP HB2 . . 3.660 2.491 2.336 3.621 . 0 0 "[ . 1 . 2]" 1
253 1 40 ASP H 1 40 ASP HB3 . . 3.660 3.284 2.374 3.641 . 0 0 "[ . 1 . 2]" 1
254 1 42 ILE MD 1 84 LEU H . . 3.240 3.096 2.859 3.265 0.025 7 0 "[ . 1 . 2]" 1
255 1 83 VAL H 1 84 LEU H . . 3.540 2.519 2.450 2.583 . 0 0 "[ . 1 . 2]" 1
256 1 6 ALA H 1 6 ALA MB . . 2.960 2.263 2.190 2.471 . 0 0 "[ . 1 . 2]" 1
257 1 94 VAL H 1 94 VAL HB . . 3.910 3.710 3.623 3.885 . 0 0 "[ . 1 . 2]" 1
258 1 94 VAL H 1 94 VAL MG1 . . 3.690 2.693 2.262 3.530 . 0 0 "[ . 1 . 2]" 1
259 1 94 VAL H 1 94 VAL MG2 . . 3.690 2.052 1.909 2.471 . 0 0 "[ . 1 . 2]" 1
260 1 86 GLN H 1 86 GLN HB3 . . 4.110 2.263 2.208 2.328 . 0 0 "[ . 1 . 2]" 1
261 1 23 ILE HB 1 24 SER H . . 5.030 4.116 3.701 4.505 . 0 0 "[ . 1 . 2]" 1
262 1 24 SER H 1 25 ASP H . . 3.850 3.007 2.267 3.723 . 0 0 "[ . 1 . 2]" 1
263 1 24 SER H 1 24 SER QB . . 3.870 2.311 2.076 2.502 . 0 0 "[ . 1 . 2]" 1
264 1 61 MET QB 1 62 GLN H . . 3.620 2.631 2.319 3.018 . 0 0 "[ . 1 . 2]" 1
265 1 37 TYR QB 1 38 CYS H . . 3.480 2.604 2.407 2.857 . 0 0 "[ . 1 . 2]" 1
266 1 65 VAL H 1 65 VAL HB . . 3.810 2.901 2.345 3.929 0.119 14 0 "[ . 1 . 2]" 1
267 1 81 GLN H 1 81 GLN HG2 . . 4.150 2.363 2.210 2.588 . 0 0 "[ . 1 . 2]" 1
268 1 81 GLN H 1 81 GLN HB2 . . 3.510 2.564 2.486 2.717 . 0 0 "[ . 1 . 2]" 1
269 1 81 GLN H 1 81 GLN HB3 . . 3.850 3.646 3.619 3.690 . 0 0 "[ . 1 . 2]" 1
270 1 81 GLN H 1 83 VAL H . . 4.520 4.157 4.014 4.265 . 0 0 "[ . 1 . 2]" 1
271 1 10 ASN H 1 10 ASN HB2 . . 4.100 2.869 2.379 3.656 . 0 0 "[ . 1 . 2]" 1
272 1 79 ASN H 1 80 VAL H . . 3.660 2.705 2.657 2.741 . 0 0 "[ . 1 . 2]" 1
273 1 80 VAL H 1 80 VAL HB . . 3.380 2.544 2.452 2.618 . 0 0 "[ . 1 . 2]" 1
274 1 80 VAL H 1 80 VAL MG1 . . 3.880 3.829 3.799 3.845 . 0 0 "[ . 1 . 2]" 1
275 1 80 VAL H 1 81 GLN H . . 3.610 2.689 2.615 2.790 . 0 0 "[ . 1 . 2]" 1
276 1 51 ASP H 1 52 LEU H . . 3.930 2.734 2.547 2.849 . 0 0 "[ . 1 . 2]" 1
277 1 52 LEU H 1 53 VAL H . . 3.780 2.778 2.663 2.913 . 0 0 "[ . 1 . 2]" 1
278 1 52 LEU H 1 52 LEU HB3 . . 3.300 2.299 2.203 2.404 . 0 0 "[ . 1 . 2]" 1
279 1 52 LEU H 1 52 LEU MD1 . . 4.260 4.213 4.170 4.285 0.025 2 0 "[ . 1 . 2]" 1
280 1 54 ILE H 1 55 LYS H . . 3.830 2.642 2.474 2.817 . 0 0 "[ . 1 . 2]" 1
281 1 54 ILE HG12 1 55 LYS H . . 4.580 4.283 4.174 4.423 . 0 0 "[ . 1 . 2]" 1
282 1 72 ALA HA 1 75 PHE H . . 3.720 3.568 3.244 3.810 0.090 9 0 "[ . 1 . 2]" 1
283 1 75 PHE H 1 76 ILE H . . 3.760 2.652 2.546 2.819 . 0 0 "[ . 1 . 2]" 1
284 1 74 ASP H 1 75 PHE H . . 3.840 2.657 2.530 2.768 . 0 0 "[ . 1 . 2]" 1
285 1 75 PHE H 1 75 PHE HB3 . . 3.670 2.946 2.502 3.624 . 0 0 "[ . 1 . 2]" 1
286 1 75 PHE H 1 75 PHE HB2 . . 3.670 2.458 2.217 2.598 . 0 0 "[ . 1 . 2]" 1
287 1 83 VAL H 1 83 VAL HB . . 3.450 2.647 2.568 2.767 . 0 0 "[ . 1 . 2]" 1
288 1 3 LEU H 1 4 ALA H . . 4.590 4.063 3.738 4.503 . 0 0 "[ . 1 . 2]" 1
289 1 17 ARG HB3 1 19 TRP H . . 4.900 4.816 4.590 4.974 0.074 10 0 "[ . 1 . 2]" 1
290 1 17 ARG QG 1 19 TRP H . . 5.500 5.490 5.273 5.691 0.191 6 0 "[ . 1 . 2]" 1
291 1 31 ILE H 1 32 LEU HB2 . . 4.880 4.548 4.382 4.692 . 0 0 "[ . 1 . 2]" 1
292 1 32 LEU HA 1 35 VAL H . . 4.080 3.002 2.910 3.098 . 0 0 "[ . 1 . 2]" 1
293 1 5 GLY H 1 6 ALA MB . . 4.270 4.350 4.284 4.424 0.154 8 0 "[ . 1 . 2]" 1
294 1 4 ALA HA 1 6 ALA H . . 5.420 4.317 4.140 4.466 . 0 0 "[ . 1 . 2]" 1
295 1 6 ALA H 1 15 LEU QD . . 4.020 2.729 2.474 3.618 . 0 0 "[ . 1 . 2]" 1
296 1 71 MET QB 1 72 ALA H . . 3.600 2.591 2.260 2.851 . 0 0 "[ . 1 . 2]" 1
297 1 31 ILE MD 1 72 ALA H . . 4.890 3.929 3.505 4.441 . 0 0 "[ . 1 . 2]" 1
298 1 70 ASN HA 1 72 ALA H . . 4.820 4.419 4.175 4.722 . 0 0 "[ . 1 . 2]" 1
299 1 38 CYS HB3 1 39 THR H . . 4.260 3.352 2.473 3.733 . 0 0 "[ . 1 . 2]" 1
300 1 38 CYS HB2 1 39 THR H . . 4.260 2.861 2.407 3.942 . 0 0 "[ . 1 . 2]" 1
301 1 39 THR H 1 80 VAL MG2 . . 5.500 5.065 4.710 5.424 . 0 0 "[ . 1 . 2]" 1
302 1 39 THR H 1 83 VAL MG1 . . 5.500 4.406 4.014 4.855 . 0 0 "[ . 1 . 2]" 1
303 1 39 THR H 1 83 VAL MG2 . . 5.500 4.701 4.344 5.192 . 0 0 "[ . 1 . 2]" 1
304 1 53 VAL HB 1 54 ILE H . . 5.190 2.918 2.688 3.166 . 0 0 "[ . 1 . 2]" 1
305 1 42 ILE MG 1 43 GLU H . . 3.940 2.890 2.526 3.157 . 0 0 "[ . 1 . 2]" 1
306 1 94 VAL HB 1 95 THR H . . 3.980 3.995 3.714 4.272 0.292 18 0 "[ . 1 . 2]" 1
307 1 94 VAL MG2 1 95 THR H . . 4.450 2.611 2.155 4.354 . 0 0 "[ . 1 . 2]" 1
308 1 80 VAL H 1 82 VAL H . . 4.440 4.345 4.264 4.433 . 0 0 "[ . 1 . 2]" 1
309 1 81 GLN HB2 1 82 VAL H . . 4.100 2.718 2.534 2.940 . 0 0 "[ . 1 . 2]" 1
310 1 48 GLU HA 1 51 ASP H . . 4.310 3.779 3.455 4.061 . 0 0 "[ . 1 . 2]" 1
311 1 51 ASP H 1 52 LEU HB3 . . 5.500 4.584 4.272 4.779 . 0 0 "[ . 1 . 2]" 1
312 1 17 ARG H 1 60 LEU MD1 . . 4.760 3.799 3.401 4.168 . 0 0 "[ . 1 . 2]" 1
313 1 76 ILE HA 1 79 ASN H . . 4.390 3.839 3.626 4.016 . 0 0 "[ . 1 . 2]" 1
314 1 79 ASN H 1 82 VAL MG2 . . 4.840 4.089 3.988 4.251 . 0 0 "[ . 1 . 2]" 1
315 1 35 VAL MG1 1 79 ASN H . . 5.210 4.873 4.702 5.070 . 0 0 "[ . 1 . 2]" 1
316 1 20 ILE HA 1 22 THR H . . 4.480 4.599 4.278 4.726 0.246 19 0 "[ . 1 . 2]" 1
317 1 32 LEU H 1 35 VAL HB . . 5.500 4.884 4.716 5.105 . 0 0 "[ . 1 . 2]" 1
318 1 31 ILE H 1 32 LEU H . . 4.130 2.621 2.455 2.725 . 0 0 "[ . 1 . 2]" 1
319 1 89 GLY H 1 90 SER H . . 4.190 2.275 1.899 2.628 . 0 0 "[ . 1 . 2]" 1
320 1 88 TYR HB3 1 89 GLY H . . 4.250 3.602 2.402 4.271 0.021 20 0 "[ . 1 . 2]" 1
321 1 88 TYR HB2 1 89 GLY H . . 4.250 3.085 2.405 4.009 . 0 0 "[ . 1 . 2]" 1
322 1 82 VAL HA 1 85 GLN H . . 4.060 3.295 3.110 3.536 . 0 0 "[ . 1 . 2]" 1
323 1 84 LEU QB 1 85 GLN H . . 3.470 2.840 2.763 2.901 . 0 0 "[ . 1 . 2]" 1
324 1 85 GLN H 1 91 THR MG . . 4.940 4.193 3.509 4.913 . 0 0 "[ . 1 . 2]" 1
325 1 42 ILE MD 1 85 GLN H . . 5.310 4.753 4.517 4.935 . 0 0 "[ . 1 . 2]" 1
326 1 12 VAL HB 1 13 LYS H . . 4.070 3.918 3.760 4.027 . 0 0 "[ . 1 . 2]" 1
327 1 77 LEU HB3 1 78 ASP H . . 3.470 2.799 2.225 3.286 . 0 0 "[ . 1 . 2]" 1
328 1 77 LEU HB2 1 78 ASP H . . 3.450 3.052 2.689 3.555 0.105 15 0 "[ . 1 . 2]" 1
329 1 13 LYS H 1 13 LYS HG3 . . 4.680 3.213 1.935 4.562 . 0 0 "[ . 1 . 2]" 1
330 1 70 ASN H 1 71 MET QB . . 5.080 4.586 4.419 4.758 . 0 0 "[ . 1 . 2]" 1
331 1 59 ARG H 1 60 LEU H . . 5.500 2.739 2.597 2.843 . 0 0 "[ . 1 . 2]" 1
332 1 59 ARG QB 1 60 LEU H . . 3.570 2.525 2.286 2.800 . 0 0 "[ . 1 . 2]" 1
333 1 91 THR H 1 92 LEU H . . 4.690 4.453 4.295 4.645 . 0 0 "[ . 1 . 2]" 1
334 1 90 SER HB2 1 91 THR H . . 5.230 3.388 2.233 4.208 . 0 0 "[ . 1 . 2]" 1
335 1 90 SER HB3 1 91 THR H . . 5.230 3.010 2.147 4.234 . 0 0 "[ . 1 . 2]" 1
336 1 55 LYS H 1 56 TYR H . . 4.000 2.739 2.540 2.940 . 0 0 "[ . 1 . 2]" 1
337 1 54 ILE H 1 56 TYR H . . 4.370 4.067 3.733 4.352 . 0 0 "[ . 1 . 2]" 1
338 1 35 VAL MG1 1 36 LYS H . . 4.300 3.367 3.056 3.597 . 0 0 "[ . 1 . 2]" 1
339 1 86 GLN HB3 1 87 THR H . . 4.150 2.667 2.540 2.780 . 0 0 "[ . 1 . 2]" 1
340 1 86 GLN HB2 1 87 THR H . . 4.310 4.011 3.936 4.076 . 0 0 "[ . 1 . 2]" 1
341 1 84 LEU QB 1 87 THR H . . 4.920 4.954 4.821 5.062 0.142 13 0 "[ . 1 . 2]" 1
342 1 92 LEU H 1 93 LYS H . . 4.700 4.479 4.194 4.647 . 0 0 "[ . 1 . 2]" 1
343 1 93 LYS H 1 94 VAL H . . 4.500 4.009 3.803 4.453 . 0 0 "[ . 1 . 2]" 1
344 1 92 LEU MD2 1 93 LYS H . . 4.580 4.172 2.175 4.798 0.218 1 0 "[ . 1 . 2]" 1
345 1 73 PHE HA 1 76 ILE H . . 4.000 3.765 3.577 3.884 . 0 0 "[ . 1 . 2]" 1
346 1 45 LYS HA 1 46 ASP H . . 3.400 2.833 2.618 3.010 . 0 0 "[ . 1 . 2]" 1
347 1 76 ILE H 1 76 ILE MD . . 3.920 3.967 3.871 4.183 0.263 16 0 "[ . 1 . 2]" 1
348 1 76 ILE H 1 76 ILE MG . . 3.300 2.510 2.347 2.608 . 0 0 "[ . 1 . 2]" 1
349 1 11 ASP HB3 1 12 VAL H . . 4.350 3.029 2.357 4.004 . 0 0 "[ . 1 . 2]" 1
350 1 6 ALA MB 1 12 VAL H . . 4.260 2.932 2.750 3.234 . 0 0 "[ . 1 . 2]" 1
351 1 49 LYS HB2 1 50 LEU H . . 4.000 3.193 2.561 3.839 . 0 0 "[ . 1 . 2]" 1
352 1 49 LYS HB3 1 50 LEU H . . 4.000 3.326 2.778 3.733 . 0 0 "[ . 1 . 2]" 1
353 1 58 LYS QG 1 59 ARG H . . 4.370 3.650 2.913 4.219 . 0 0 "[ . 1 . 2]" 1
354 1 86 GLN H 1 87 THR MG . . 4.230 3.905 3.790 4.077 . 0 0 "[ . 1 . 2]" 1
355 1 35 VAL MG2 1 36 LYS H . . 4.300 3.957 3.896 4.020 . 0 0 "[ . 1 . 2]" 1
356 1 52 LEU HB3 1 53 VAL H . . 3.920 2.414 2.280 2.534 . 0 0 "[ . 1 . 2]" 1
357 1 52 LEU HB2 1 53 VAL H . . 5.270 3.806 3.699 3.897 . 0 0 "[ . 1 . 2]" 1
358 1 52 LEU MD1 1 53 VAL H . . 4.290 4.422 4.321 4.503 0.213 8 0 "[ . 1 . 2]" 1
359 1 52 LEU MD2 1 53 VAL H . . 4.290 2.701 2.498 2.820 . 0 0 "[ . 1 . 2]" 1
360 1 53 VAL HA 1 57 MET H . . 4.370 3.809 3.363 4.039 . 0 0 "[ . 1 . 2]" 1
361 1 54 ILE HA 1 57 MET H . . 4.560 3.735 3.325 4.140 . 0 0 "[ . 1 . 2]" 1
362 1 54 ILE MD 1 58 LYS H . . 5.500 5.245 4.854 5.506 0.006 1 0 "[ . 1 . 2]" 1
363 1 58 LYS H 1 76 ILE MG . . 5.500 5.113 4.587 5.538 0.038 15 0 "[ . 1 . 2]" 1
364 1 6 ALA MB 1 11 ASP H . . 4.580 4.483 4.214 4.713 0.133 12 0 "[ . 1 . 2]" 1
365 1 29 GLU HB2 1 30 ASP H . . 4.610 2.611 2.303 3.696 . 0 0 "[ . 1 . 2]" 1
366 1 29 GLU HB3 1 30 ASP H . . 4.610 3.511 2.194 4.147 . 0 0 "[ . 1 . 2]" 1
367 1 88 TYR H 1 88 TYR QD . . 4.010 3.372 2.602 4.301 0.291 11 0 "[ . 1 . 2]" 1
368 1 85 GLN HA 1 88 TYR H . . 3.870 3.970 3.865 4.058 0.188 5 0 "[ . 1 . 2]" 1
369 1 87 THR HB 1 88 TYR H . . 4.020 3.981 3.917 4.077 0.057 2 0 "[ . 1 . 2]" 1
370 1 87 THR MG 1 88 TYR H . . 3.810 1.964 1.808 2.147 . 0 0 "[ . 1 . 2]" 1
371 1 46 ASP HA 1 47 LEU H . . 3.230 2.697 2.322 2.853 . 0 0 "[ . 1 . 2]" 1
372 1 47 LEU H 1 48 GLU HB3 . . 4.620 4.714 4.530 4.782 0.162 17 0 "[ . 1 . 2]" 1
373 1 27 MET HB2 1 28 GLU H . . 4.330 3.482 2.755 3.958 . 0 0 "[ . 1 . 2]" 1
374 1 20 ILE MD 1 21 THR H . . 5.400 4.978 4.775 5.253 . 0 0 "[ . 1 . 2]" 1
375 1 21 THR H 1 60 LEU MD2 . . 5.500 4.977 4.610 5.443 . 0 0 "[ . 1 . 2]" 1
376 1 47 LEU HB3 1 48 GLU H . . 3.860 3.493 3.227 3.821 . 0 0 "[ . 1 . 2]" 1
377 1 47 LEU HB2 1 48 GLU H . . 3.920 3.881 3.712 4.020 0.100 16 0 "[ . 1 . 2]" 1
378 1 46 ASP HA 1 48 GLU H . . 4.010 3.280 3.046 3.542 . 0 0 "[ . 1 . 2]" 1
379 1 47 LEU MD1 1 48 GLU H . . 5.500 4.524 4.397 4.700 . 0 0 "[ . 1 . 2]" 1
380 1 47 LEU MD2 1 48 GLU H . . 5.500 4.757 4.681 4.804 . 0 0 "[ . 1 . 2]" 1
381 1 14 THR HB 1 15 LEU H . . 4.040 2.839 2.635 3.031 . 0 0 "[ . 1 . 2]" 1
382 1 14 THR MG 1 15 LEU H . . 3.910 3.743 3.544 3.937 0.027 9 0 "[ . 1 . 2]" 1
383 1 71 MET HA 1 74 ASP H . . 4.030 3.686 3.184 4.077 0.047 13 0 "[ . 1 . 2]" 1
384 1 72 ALA MB 1 74 ASP H . . 4.730 4.739 4.413 4.850 0.120 7 0 "[ . 1 . 2]" 1
385 1 74 ASP H 1 76 ILE MG . . 4.540 4.425 4.248 4.515 . 0 0 "[ . 1 . 2]" 1
386 1 44 GLU H 1 45 LYS HA . . 4.880 4.666 4.432 4.874 . 0 0 "[ . 1 . 2]" 1
387 1 74 ASP HA 1 77 LEU H . . 4.240 4.120 3.835 4.283 0.043 4 0 "[ . 1 . 2]" 1
388 1 76 ILE HB 1 77 LEU H . . 4.130 3.752 3.713 3.803 . 0 0 "[ . 1 . 2]" 1
389 1 76 ILE MD 1 77 LEU H . . 5.060 4.776 4.687 4.934 . 0 0 "[ . 1 . 2]" 1
390 1 60 LEU HB3 1 61 MET H . . 4.520 3.539 3.169 3.706 . 0 0 "[ . 1 . 2]" 1
391 1 60 LEU HB2 1 61 MET H . . 4.520 2.662 2.319 2.919 . 0 0 "[ . 1 . 2]" 1
392 1 65 VAL MG1 1 66 GLU H . . 4.050 3.303 1.667 4.248 0.198 1 0 "[ . 1 . 2]" 1
393 1 40 ASP H 1 42 ILE H . . 5.500 3.933 3.762 4.181 . 0 0 "[ . 1 . 2]" 1
394 1 13 LYS H 1 14 THR H . . 4.140 2.626 2.502 2.793 . 0 0 "[ . 1 . 2]" 1
395 1 39 THR MG 1 42 ILE H . . 5.500 4.724 4.549 4.887 . 0 0 "[ . 1 . 2]" 1
396 1 61 MET ME 1 73 PHE H . . 4.450 4.147 3.793 4.511 0.061 3 0 "[ . 1 . 2]" 1
397 1 72 ALA MB 1 73 PHE H . . 3.540 2.701 2.151 2.830 . 0 0 "[ . 1 . 2]" 1
398 1 34 VAL HA 1 37 TYR H . . 3.970 3.133 2.643 3.475 . 0 0 "[ . 1 . 2]" 1
399 1 36 LYS QG 1 37 TYR H . . 4.790 4.069 3.637 4.560 . 0 0 "[ . 1 . 2]" 1
400 1 48 GLU HB2 1 49 LYS H . . 4.030 3.706 3.509 3.901 . 0 0 "[ . 1 . 2]" 1
401 1 39 THR HB 1 40 ASP H . . 4.440 2.619 2.286 2.774 . 0 0 "[ . 1 . 2]" 1
402 1 39 THR MG 1 40 ASP H . . 4.110 3.580 3.212 3.755 . 0 0 "[ . 1 . 2]" 1
403 1 83 VAL HB 1 84 LEU H . . 3.600 3.010 2.862 3.168 . 0 0 "[ . 1 . 2]" 1
404 1 83 VAL MG1 1 84 LEU H . . 4.330 3.839 3.685 3.999 . 0 0 "[ . 1 . 2]" 1
405 1 83 VAL MG2 1 84 LEU H . . 4.330 3.964 3.825 4.035 . 0 0 "[ . 1 . 2]" 1
406 1 93 LYS HA 1 94 VAL H . . 2.710 2.155 2.096 2.257 . 0 0 "[ . 1 . 2]" 1
407 1 38 CYS H 1 50 LEU MD1 . . 5.170 4.696 3.107 5.282 0.112 12 0 "[ . 1 . 2]" 1
408 1 35 VAL HA 1 38 CYS H . . 4.140 3.467 3.264 3.689 . 0 0 "[ . 1 . 2]" 1
409 1 81 GLN H 1 82 VAL MG2 . . 3.740 3.798 3.774 3.838 0.098 18 0 "[ . 1 . 2]" 1
410 1 81 GLN H 1 82 VAL MG1 . . 5.080 4.110 4.053 4.194 . 0 0 "[ . 1 . 2]" 1
411 1 79 ASN HB3 1 80 VAL H . . 4.070 3.532 3.449 3.636 . 0 0 "[ . 1 . 2]" 1
412 1 54 ILE HB 1 55 LYS H . . 3.900 2.480 2.306 2.703 . 0 0 "[ . 1 . 2]" 1
413 1 71 MET QB 1 75 PHE H . . 5.320 4.751 4.531 4.887 . 0 0 "[ . 1 . 2]" 1
414 1 31 ILE MG 1 75 PHE H . . 5.450 4.670 4.176 5.131 . 0 0 "[ . 1 . 2]" 1
415 1 83 VAL H 1 84 LEU QB . . 4.470 4.323 4.174 4.494 0.024 12 0 "[ . 1 . 2]" 1
416 1 71 MET HA 1 71 MET HG2 . . 3.860 2.936 2.461 3.768 . 0 0 "[ . 1 . 2]" 1
417 1 71 MET HA 1 71 MET ME . . 4.230 3.264 1.717 4.492 0.262 3 0 "[ . 1 . 2]" 1
418 1 93 LYS HA 1 93 LYS QE . . 5.500 4.545 2.787 5.551 0.051 19 0 "[ . 1 . 2]" 1
419 1 45 LYS QE 1 45 LYS HG3 . . 3.720 2.800 2.464 3.146 . 0 0 "[ . 1 . 2]" 1
420 1 80 VAL HA 1 80 VAL MG1 . . 3.150 2.518 2.458 2.576 . 0 0 "[ . 1 . 2]" 1
421 1 80 VAL HA 1 80 VAL MG2 . . 2.960 2.424 2.373 2.474 . 0 0 "[ . 1 . 2]" 1
422 1 24 SER HA 1 25 ASP HB3 . . 5.500 5.442 5.101 5.631 0.131 20 0 "[ . 1 . 2]" 1
423 1 24 SER QB 1 25 ASP HB3 . . 5.500 4.919 3.735 5.867 0.367 13 0 "[ . 1 . 2]" 1
424 1 48 GLU HA 1 48 GLU HG3 . . 3.970 3.805 3.652 3.897 . 0 0 "[ . 1 . 2]" 1
425 1 76 ILE HA 1 76 ILE MD . . 3.200 2.126 1.923 3.377 0.177 16 0 "[ . 1 . 2]" 1
426 1 42 ILE HA 1 46 ASP H . . 4.480 4.562 4.328 4.674 0.194 12 0 "[ . 1 . 2]" 1
427 1 76 ILE HA 1 76 ILE MG . . 3.250 3.293 3.273 3.301 0.051 4 0 "[ . 1 . 2]" 1
428 1 31 ILE MG 1 76 ILE HA . . 3.990 3.247 2.690 3.716 . 0 0 "[ . 1 . 2]" 1
429 1 17 ARG HA 1 17 ARG QD . . 4.130 4.108 3.928 4.229 0.099 18 0 "[ . 1 . 2]" 1
430 1 17 ARG HA 1 17 ARG QG . . 3.450 2.449 2.344 2.559 . 0 0 "[ . 1 . 2]" 1
431 1 59 ARG QB 1 59 ARG HD3 . . 3.670 2.527 2.361 2.927 . 0 0 "[ . 1 . 2]" 1
432 1 65 VAL HA 1 65 VAL HB . . 2.950 2.654 2.400 3.047 0.097 13 0 "[ . 1 . 2]" 1
433 1 20 ILE HA 1 20 ILE MG . . 3.530 3.261 3.241 3.268 . 0 0 "[ . 1 . 2]" 1
434 1 58 LYS HA 1 58 LYS QG . . 3.940 2.593 2.470 2.758 . 0 0 "[ . 1 . 2]" 1
435 1 58 LYS HA 1 58 LYS QD . . 4.490 4.075 3.593 4.391 . 0 0 "[ . 1 . 2]" 1
436 1 81 GLN HA 1 84 LEU H . . 4.100 3.563 3.291 3.893 . 0 0 "[ . 1 . 2]" 1
437 1 20 ILE MD 1 61 MET HA . . 3.880 2.420 1.988 3.657 . 0 0 "[ . 1 . 2]" 1
438 1 49 LYS HA 1 49 LYS HG3 . . 3.660 3.712 3.612 3.778 0.118 3 0 "[ . 1 . 2]" 1
439 1 49 LYS HA 1 49 LYS HE2 . . 5.500 3.746 2.781 4.442 . 0 0 "[ . 1 . 2]" 1
440 1 49 LYS HA 1 49 LYS HE3 . . 5.500 3.666 1.706 5.288 . 0 0 "[ . 1 . 2]" 1
441 1 94 VAL HA 1 94 VAL MG1 . . 3.350 2.364 2.280 2.441 . 0 0 "[ . 1 . 2]" 1
442 1 94 VAL HA 1 94 VAL MG2 . . 3.350 3.271 3.255 3.288 . 0 0 "[ . 1 . 2]" 1
443 1 13 LYS H 1 13 LYS QE . . 5.500 4.482 3.458 5.406 . 0 0 "[ . 1 . 2]" 1
444 1 66 GLU HA 1 66 GLU HG3 . . 4.060 3.481 2.593 3.894 . 0 0 "[ . 1 . 2]" 1
445 1 66 GLU HA 1 66 GLU HG2 . . 4.060 3.355 2.423 4.209 0.149 19 0 "[ . 1 . 2]" 1
446 1 82 VAL HA 1 85 GLN HB2 . . 3.700 2.430 2.254 2.767 . 0 0 "[ . 1 . 2]" 1
447 1 83 VAL HA 1 83 VAL MG1 . . 3.060 2.430 2.362 2.476 . 0 0 "[ . 1 . 2]" 1
448 1 29 GLU HA 1 29 GLU HG2 . . 3.910 2.920 2.463 3.825 . 0 0 "[ . 1 . 2]" 1
449 1 93 LYS HA 1 93 LYS HG3 . . 3.820 3.436 2.976 3.845 0.025 2 0 "[ . 1 . 2]" 1
450 1 93 LYS HA 1 93 LYS HG2 . . 3.820 2.951 2.468 3.818 . 0 0 "[ . 1 . 2]" 1
451 1 42 ILE MD 1 84 LEU HA . . 3.230 2.414 2.295 2.564 . 0 0 "[ . 1 . 2]" 1
452 1 8 GLU HA 1 8 GLU HG2 . . 3.950 2.818 2.510 3.246 . 0 0 "[ . 1 . 2]" 1
453 1 59 ARG HA 1 59 ARG HD3 . . 5.400 4.470 2.660 4.846 . 0 0 "[ . 1 . 2]" 1
454 1 59 ARG HA 1 59 ARG HG2 . . 3.550 3.055 2.406 3.346 . 0 0 "[ . 1 . 2]" 1
455 1 59 ARG HA 1 59 ARG HG3 . . 3.550 2.884 2.573 3.686 0.136 5 0 "[ . 1 . 2]" 1
456 1 36 LYS HA 1 36 LYS QG . . 3.490 3.065 2.517 3.240 . 0 0 "[ . 1 . 2]" 1
457 1 36 LYS HA 1 36 LYS HD2 . . 3.870 2.843 2.224 3.109 . 0 0 "[ . 1 . 2]" 1
458 1 36 LYS HA 1 36 LYS HD3 . . 3.870 2.311 1.897 3.864 . 0 0 "[ . 1 . 2]" 1
459 1 15 LEU HA 1 15 LEU QD . . 3.880 2.972 2.835 3.070 . 0 0 "[ . 1 . 2]" 1
460 1 63 GLN HA 1 63 GLN QG . . 3.170 2.784 2.484 3.084 . 0 0 "[ . 1 . 2]" 1
461 1 83 VAL HA 1 83 VAL MG2 . . 3.060 2.492 2.445 2.558 . 0 0 "[ . 1 . 2]" 1
462 1 16 LEU HA 1 16 LEU HG . . 4.370 3.496 3.404 3.587 . 0 0 "[ . 1 . 2]" 1
463 1 16 LEU HA 1 16 LEU MD1 . . 3.680 3.724 3.574 3.826 0.146 18 0 "[ . 1 . 2]" 1
464 1 43 GLU HA 1 43 GLU HB2 . . 3.020 3.044 3.036 3.054 0.034 11 0 "[ . 1 . 2]" 1
465 1 43 GLU HA 1 43 GLU HG2 . . 3.910 2.980 2.633 3.299 . 0 0 "[ . 1 . 2]" 1
466 1 43 GLU HA 1 43 GLU HB3 . . 2.610 2.422 2.386 2.487 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLU HA 1 29 GLU HG3 . . 3.910 3.520 3.085 4.194 0.284 12 0 "[ . 1 . 2]" 1
468 1 29 GLU H 1 29 GLU HG3 . . 4.270 2.995 1.929 4.372 0.102 13 0 "[ . 1 . 2]" 1
469 1 42 ILE HA 1 47 LEU HA . . 5.500 4.984 4.679 5.174 . 0 0 "[ . 1 . 2]" 1
470 1 92 LEU HA 1 92 LEU MD1 . . 4.160 2.917 2.195 4.150 . 0 0 "[ . 1 . 2]" 1
471 1 92 LEU HA 1 92 LEU HG . . 3.560 3.268 2.505 3.677 0.117 4 0 "[ . 1 . 2]" 1
472 1 87 THR HA 1 87 THR MG . . 3.260 3.262 3.250 3.278 0.018 18 0 "[ . 1 . 2]" 1
473 1 37 TYR HA 1 37 TYR QD . . 3.310 2.544 2.127 2.901 . 0 0 "[ . 1 . 2]" 1
474 1 37 TYR HA 1 37 TYR QE . . 4.940 4.573 4.374 4.843 . 0 0 "[ . 1 . 2]" 1
475 1 81 GLN HB3 1 91 THR HA . . 5.320 3.906 3.327 4.680 . 0 0 "[ . 1 . 2]" 1
476 1 57 MET HA 1 57 MET ME . . 4.720 4.430 4.133 4.536 . 0 0 "[ . 1 . 2]" 1
477 1 35 VAL HA 1 35 VAL MG1 . . 3.120 2.558 2.491 2.626 . 0 0 "[ . 1 . 2]" 1
478 1 36 LYS H 1 36 LYS QE . . 5.180 4.195 3.879 4.513 . 0 0 "[ . 1 . 2]" 1
479 1 62 GLN HA 1 62 GLN QG . . 3.480 2.613 2.416 3.012 . 0 0 "[ . 1 . 2]" 1
480 1 24 SER HA 1 25 ASP HB2 . . 5.500 5.229 4.788 6.355 0.855 3 1 "[ + . 1 . 2]" 1
481 1 24 SER QB 1 25 ASP HB2 . . 5.500 4.689 3.626 5.824 0.324 3 0 "[ . 1 . 2]" 1
482 1 44 GLU HA 1 44 GLU HG3 . . 3.690 3.178 3.036 3.798 0.108 14 0 "[ . 1 . 2]" 1
483 1 44 GLU HA 1 44 GLU HG2 . . 3.690 2.647 2.483 3.271 . 0 0 "[ . 1 . 2]" 1
484 1 47 LEU HA 1 47 LEU MD2 . . 3.710 1.941 1.872 2.020 . 0 0 "[ . 1 . 2]" 1
485 1 47 LEU HA 1 50 LEU H . . 3.920 2.825 2.614 2.991 . 0 0 "[ . 1 . 2]" 1
486 1 91 THR HA 1 91 THR MG . . 3.060 2.335 2.266 2.391 . 0 0 "[ . 1 . 2]" 1
487 1 85 GLN HA 1 85 GLN QG . . 3.360 2.695 2.393 2.828 . 0 0 "[ . 1 . 2]" 1
488 1 34 VAL HA 1 34 VAL MG1 . . 3.490 2.246 2.202 2.279 . 0 0 "[ . 1 . 2]" 1
489 1 34 VAL HA 1 34 VAL MG2 . . 3.490 2.901 2.762 3.247 . 0 0 "[ . 1 . 2]" 1
490 1 45 LYS H 1 45 LYS QE . . 4.730 4.175 3.682 4.788 0.058 15 0 "[ . 1 . 2]" 1
491 1 50 LEU HA 1 50 LEU MD1 . . 3.710 3.247 1.899 3.864 0.154 15 0 "[ . 1 . 2]" 1
492 1 16 LEU HA 1 19 TRP H . . 4.190 3.044 2.855 3.253 . 0 0 "[ . 1 . 2]" 1
493 1 12 VAL HA 1 12 VAL MG1 . . 3.510 2.436 2.391 2.490 . 0 0 "[ . 1 . 2]" 1
494 1 61 MET HA 1 61 MET HG3 . . 4.200 2.965 2.378 3.896 . 0 0 "[ . 1 . 2]" 1
495 1 59 ARG HA 1 59 ARG HD2 . . 5.400 4.417 3.880 4.617 . 0 0 "[ . 1 . 2]" 1
496 1 59 ARG H 1 59 ARG HD2 . . 4.990 4.945 4.726 5.222 0.232 5 0 "[ . 1 . 2]" 1
497 1 59 ARG QB 1 59 ARG HD2 . . 3.670 2.445 2.361 2.577 . 0 0 "[ . 1 . 2]" 1
498 1 77 LEU HA 1 77 LEU MD2 . . 3.670 2.315 1.887 3.886 0.216 15 0 "[ . 1 . 2]" 1
499 1 58 LYS QB 1 58 LYS QE . . 3.560 3.000 2.024 3.699 0.139 13 0 "[ . 1 . 2]" 1
500 1 58 LYS HA 1 58 LYS QE . . 4.650 4.415 3.602 4.902 0.252 20 0 "[ . 1 . 2]" 1
501 1 58 LYS H 1 58 LYS QE . . 5.500 5.169 4.107 5.863 0.363 5 0 "[ . 1 . 2]" 1
502 1 14 THR HA 1 14 THR MG . . 3.180 2.432 2.356 2.519 . 0 0 "[ . 1 . 2]" 1
503 1 55 LYS HA 1 55 LYS HG3 . . 3.440 2.867 2.311 3.137 . 0 0 "[ . 1 . 2]" 1
504 1 55 LYS HA 1 55 LYS HG2 . . 3.440 2.670 2.360 3.583 0.143 19 0 "[ . 1 . 2]" 1
505 1 55 LYS HA 1 58 LYS QD . . 3.780 3.471 3.086 3.895 0.115 17 0 "[ . 1 . 2]" 1
506 1 55 LYS HA 1 55 LYS QE . . 4.520 4.486 3.874 4.749 0.229 6 0 "[ . 1 . 2]" 1
507 1 13 LYS HA 1 13 LYS HG3 . . 4.030 2.957 2.444 3.689 . 0 0 "[ . 1 . 2]" 1
508 1 13 LYS HA 1 16 LEU HG . . 4.390 4.447 3.977 4.681 0.291 18 0 "[ . 1 . 2]" 1
509 1 13 LYS HA 1 13 LYS QE . . 4.670 4.389 3.987 4.865 0.195 20 0 "[ . 1 . 2]" 1
510 1 13 LYS HA 1 13 LYS HG2 . . 4.030 2.784 2.536 2.936 . 0 0 "[ . 1 . 2]" 1
511 1 86 GLN HA 1 86 GLN HB2 . . 2.990 2.394 2.355 2.439 . 0 0 "[ . 1 . 2]" 1
512 1 60 LEU HA 1 60 LEU MD1 . . 3.870 3.923 3.891 3.951 0.081 17 0 "[ . 1 . 2]" 1
513 1 60 LEU HA 1 60 LEU HG . . 3.620 2.949 2.848 3.135 . 0 0 "[ . 1 . 2]" 1
514 1 79 ASN HA 1 79 ASN HD21 . . 4.160 2.556 2.422 2.651 . 0 0 "[ . 1 . 2]" 1
515 1 21 THR HA 1 21 THR MG . . 3.090 2.379 2.343 2.407 . 0 0 "[ . 1 . 2]" 1
516 1 31 ILE HA 1 31 ILE MG . . 3.340 2.449 2.343 2.513 . 0 0 "[ . 1 . 2]" 1
517 1 39 THR HA 1 42 ILE MD . . 4.550 2.693 2.410 3.119 . 0 0 "[ . 1 . 2]" 1
518 1 54 ILE HA 1 54 ILE MD . . 3.290 2.067 1.961 2.223 . 0 0 "[ . 1 . 2]" 1
519 1 54 ILE HA 1 54 ILE HG13 . . 3.870 3.769 3.709 3.833 . 0 0 "[ . 1 . 2]" 1
520 1 54 ILE HA 1 54 ILE HG12 . . 3.940 3.024 2.883 3.114 . 0 0 "[ . 1 . 2]" 1
521 1 54 ILE HA 1 54 ILE MG . . 3.490 2.525 2.434 2.604 . 0 0 "[ . 1 . 2]" 1
522 1 88 TYR HA 1 88 TYR QD . . 3.080 2.677 2.222 3.118 0.038 11 0 "[ . 1 . 2]" 1
523 1 48 GLU HA 1 48 GLU HG2 . . 3.970 3.848 3.719 4.226 0.256 20 0 "[ . 1 . 2]" 1
524 1 33 GLN HA 1 33 GLN HG3 . . 3.910 3.727 2.508 3.861 . 0 0 "[ . 1 . 2]" 1
525 1 45 LYS HA 1 45 LYS HG2 . . 4.020 3.252 3.014 3.689 . 0 0 "[ . 1 . 2]" 1
526 1 45 LYS HA 1 45 LYS HD3 . . 4.510 2.989 2.030 4.314 . 0 0 "[ . 1 . 2]" 1
527 1 45 LYS HA 1 45 LYS HG3 . . 4.020 3.746 2.482 3.872 . 0 0 "[ . 1 . 2]" 1
528 1 45 LYS HA 1 45 LYS HD2 . . 4.510 2.695 2.039 3.320 . 0 0 "[ . 1 . 2]" 1
529 1 69 TRP HA 1 72 ALA H . . 4.220 3.133 2.804 3.624 . 0 0 "[ . 1 . 2]" 1
530 1 6 ALA HA 1 7 VAL HB . . 5.190 4.615 4.436 4.881 . 0 0 "[ . 1 . 2]" 1
531 1 6 ALA HA 1 7 VAL H . . 3.070 2.203 2.115 2.462 . 0 0 "[ . 1 . 2]" 1
532 1 6 ALA HA 1 8 GLU H . . 4.260 3.739 3.074 4.192 . 0 0 "[ . 1 . 2]" 1
533 1 72 ALA HA 1 75 PHE HB3 . . 3.840 3.149 2.081 3.971 0.131 6 0 "[ . 1 . 2]" 1
534 1 72 ALA HA 1 75 PHE HB2 . . 3.840 3.255 2.164 3.956 0.116 4 0 "[ . 1 . 2]" 1
535 1 71 MET QB 1 72 ALA HA . . 4.240 3.926 3.705 4.150 . 0 0 "[ . 1 . 2]" 1
536 1 31 ILE MG 1 72 ALA HA . . 4.220 2.698 2.183 3.161 . 0 0 "[ . 1 . 2]" 1
537 1 6 ALA MB 1 11 ASP HA . . 4.800 4.094 3.799 4.539 . 0 0 "[ . 1 . 2]" 1
538 1 11 ASP HA 1 14 THR MG . . 5.350 4.551 4.052 4.949 . 0 0 "[ . 1 . 2]" 1
539 1 11 ASP HA 1 14 THR H . . 4.250 3.653 3.179 3.906 . 0 0 "[ . 1 . 2]" 1
540 1 11 ASP HA 1 15 LEU H . . 4.770 4.043 3.773 4.274 . 0 0 "[ . 1 . 2]" 1
541 1 40 ASP HA 1 43 GLU HB3 . . 4.450 4.522 4.396 4.612 0.162 19 0 "[ . 1 . 2]" 1
542 1 40 ASP HA 1 43 GLU H . . 4.310 3.358 3.222 3.629 . 0 0 "[ . 1 . 2]" 1
543 1 70 ASN HA 1 73 PHE H . . 4.560 3.518 2.893 4.441 . 0 0 "[ . 1 . 2]" 1
544 1 51 ASP HA 1 54 ILE HB . . 3.600 2.713 2.391 3.034 . 0 0 "[ . 1 . 2]" 1
545 1 78 ASP HA 1 82 VAL MG2 . . 5.400 4.728 4.527 4.947 . 0 0 "[ . 1 . 2]" 1
546 1 51 ASP HA 1 54 ILE HG12 . . 3.500 3.237 2.661 3.651 0.151 3 0 "[ . 1 . 2]" 1
547 1 74 ASP HA 1 77 LEU HB2 . . 4.430 3.539 2.983 4.255 . 0 0 "[ . 1 . 2]" 1
548 1 51 ASP HA 1 54 ILE H . . 4.250 3.458 3.075 3.656 . 0 0 "[ . 1 . 2]" 1
549 1 78 ASP HA 1 81 GLN H . . 4.070 3.570 3.398 3.726 . 0 0 "[ . 1 . 2]" 1
550 1 78 ASP HA 1 81 GLN HB2 . . 3.590 2.808 2.586 2.916 . 0 0 "[ . 1 . 2]" 1
551 1 78 ASP HA 1 81 GLN HB3 . . 4.360 4.377 4.159 4.472 0.112 14 0 "[ . 1 . 2]" 1
552 1 28 GLU HA 1 31 ILE MG . . 4.920 4.262 3.793 4.646 . 0 0 "[ . 1 . 2]" 1
553 1 28 GLU HA 1 31 ILE MD . . 3.440 1.862 1.603 2.271 . 0 0 "[ . 1 . 2]" 1
554 1 28 GLU HA 1 30 ASP H . . 4.610 4.061 3.679 4.336 . 0 0 "[ . 1 . 2]" 1
555 1 28 GLU HA 1 31 ILE H . . 4.320 3.190 3.000 3.466 . 0 0 "[ . 1 . 2]" 1
556 1 29 GLU HA 1 32 LEU HB2 . . 3.980 2.590 2.183 3.125 . 0 0 "[ . 1 . 2]" 1
557 1 29 GLU HA 1 32 LEU H . . 4.180 3.541 3.120 3.961 . 0 0 "[ . 1 . 2]" 1
558 1 47 LEU HB3 1 48 GLU HA . . 4.260 4.352 4.275 4.411 0.151 3 0 "[ . 1 . 2]" 1
559 1 48 GLU HA 1 49 LYS H . . 3.560 3.547 3.501 3.589 0.029 16 0 "[ . 1 . 2]" 1
560 1 7 VAL QG 1 8 GLU HA . . 4.150 3.207 3.037 3.386 . 0 0 "[ . 1 . 2]" 1
561 1 73 PHE HA 1 76 ILE HB . . 3.910 3.898 3.712 4.008 0.098 7 0 "[ . 1 . 2]" 1
562 1 72 ALA MB 1 73 PHE HA . . 4.170 3.941 3.814 4.077 . 0 0 "[ . 1 . 2]" 1
563 1 20 ILE HA 1 21 THR MG . . 4.690 4.738 4.556 4.806 0.116 7 0 "[ . 1 . 2]" 1
564 1 39 THR HA 1 42 ILE H . . 5.030 3.507 3.301 3.678 . 0 0 "[ . 1 . 2]" 1
565 1 31 ILE HA 1 34 VAL H . . 4.390 3.835 3.594 4.214 . 0 0 "[ . 1 . 2]" 1
566 1 42 ILE HA 1 45 LYS HA . . 5.000 3.721 3.489 4.206 . 0 0 "[ . 1 . 2]" 1
567 1 42 ILE HA 1 44 GLU H . . 4.610 4.583 4.351 4.780 0.170 5 0 "[ . 1 . 2]" 1
568 1 42 ILE HA 1 45 LYS H . . 4.870 3.659 3.465 3.959 . 0 0 "[ . 1 . 2]" 1
569 1 54 ILE HA 1 58 LYS H . . 5.300 3.914 3.637 4.154 . 0 0 "[ . 1 . 2]" 1
570 1 76 ILE HA 1 79 ASN HD21 . . 4.740 4.783 4.526 4.978 0.238 1 0 "[ . 1 . 2]" 1
571 1 12 VAL HB 1 13 LYS HA . . 4.790 4.568 4.353 4.733 . 0 0 "[ . 1 . 2]" 1
572 1 13 LYS HA 1 16 LEU H . . 4.410 4.147 3.903 4.297 . 0 0 "[ . 1 . 2]" 1
573 1 13 LYS HA 1 17 ARG H . . 4.870 4.345 4.214 4.451 . 0 0 "[ . 1 . 2]" 1
574 1 36 LYS HA 1 39 THR HB . . 3.990 2.785 2.520 3.138 . 0 0 "[ . 1 . 2]" 1
575 1 36 LYS HA 1 39 THR MG . . 4.500 4.129 3.902 4.432 . 0 0 "[ . 1 . 2]" 1
576 1 36 LYS HA 1 39 THR H . . 4.240 3.397 3.120 3.647 . 0 0 "[ . 1 . 2]" 1
577 1 55 LYS HA 1 58 LYS QB . . 3.610 2.690 2.319 3.134 . 0 0 "[ . 1 . 2]" 1
578 1 54 ILE MG 1 55 LYS HA . . 3.850 3.310 2.970 3.612 . 0 0 "[ . 1 . 2]" 1
579 1 55 LYS HA 1 94 VAL MG1 . . 4.990 3.146 2.365 4.363 . 0 0 "[ . 1 . 2]" 1
580 1 55 LYS HA 1 94 VAL MG2 . . 4.990 3.489 2.276 4.994 0.004 5 0 "[ . 1 . 2]" 1
581 1 55 LYS HA 1 58 LYS QG . . 5.000 4.470 3.813 5.138 0.138 17 0 "[ . 1 . 2]" 1
582 1 55 LYS HA 1 59 ARG H . . 5.370 4.125 3.915 4.394 . 0 0 "[ . 1 . 2]" 1
583 1 55 LYS HA 1 58 LYS H . . 3.980 3.800 3.311 4.094 0.114 17 0 "[ . 1 . 2]" 1
584 1 58 LYS HA 1 62 GLN HB2 . . 5.500 4.526 4.184 4.766 . 0 0 "[ . 1 . 2]" 1
585 1 58 LYS HA 1 62 GLN HB3 . . 5.500 5.257 4.983 5.557 0.057 17 0 "[ . 1 . 2]" 1
586 1 58 LYS HA 1 61 MET QB . . 4.270 3.148 2.436 3.586 . 0 0 "[ . 1 . 2]" 1
587 1 58 LYS HA 1 62 GLN H . . 4.090 4.039 3.800 4.219 0.129 19 0 "[ . 1 . 2]" 1
588 1 15 LEU HA 1 19 TRP H . . 4.530 4.270 4.113 4.460 . 0 0 "[ . 1 . 2]" 1
589 1 16 LEU HA 1 17 ARG HA . . 4.800 4.828 4.755 4.866 0.066 3 0 "[ . 1 . 2]" 1
590 1 32 LEU HA 1 35 VAL MG1 . . 4.210 3.533 3.380 3.726 . 0 0 "[ . 1 . 2]" 1
591 1 32 LEU HA 1 35 VAL HB . . 3.470 2.132 1.951 2.366 . 0 0 "[ . 1 . 2]" 1
592 1 32 LEU HA 1 76 ILE HA . . 5.500 5.594 5.321 5.730 0.230 13 0 "[ . 1 . 2]" 1
593 1 85 GLN HA 1 91 THR MG . . 4.910 4.420 3.931 4.988 0.078 3 0 "[ . 1 . 2]" 1
594 1 47 LEU HA 1 50 LEU HB3 . . 3.710 2.348 1.788 3.791 0.081 3 0 "[ . 1 . 2]" 1
595 1 47 LEU HA 1 50 LEU HB2 . . 3.710 2.675 2.177 3.081 . 0 0 "[ . 1 . 2]" 1
596 1 47 LEU HA 1 51 ASP H . . 4.920 3.762 3.340 4.281 . 0 0 "[ . 1 . 2]" 1
597 1 52 LEU HA 1 55 LYS H . . 4.190 3.805 3.474 4.176 . 0 0 "[ . 1 . 2]" 1
598 1 50 LEU HA 1 53 VAL H . . 4.530 3.258 3.020 3.489 . 0 0 "[ . 1 . 2]" 1
599 1 60 LEU HA 1 63 GLN QG . . 4.020 3.913 3.132 4.236 0.216 12 0 "[ . 1 . 2]" 1
600 1 60 LEU HA 1 63 GLN QB . . 4.070 2.572 2.141 3.410 . 0 0 "[ . 1 . 2]" 1
601 1 76 ILE HA 1 77 LEU HA . . 4.730 4.808 4.771 4.836 0.106 10 0 "[ . 1 . 2]" 1
602 1 77 LEU HA 1 80 VAL HB . . 3.550 2.890 2.645 3.276 . 0 0 "[ . 1 . 2]" 1
603 1 77 LEU HA 1 80 VAL MG2 . . 3.620 3.129 2.850 3.527 . 0 0 "[ . 1 . 2]" 1
604 1 77 LEU HA 1 80 VAL H . . 4.330 3.653 3.512 3.993 . 0 0 "[ . 1 . 2]" 1
605 1 84 LEU HA 1 87 THR HB . . 4.200 4.272 4.189 4.395 0.195 4 0 "[ . 1 . 2]" 1
606 1 84 LEU HA 1 88 TYR H . . 4.490 3.477 3.266 3.724 . 0 0 "[ . 1 . 2]" 1
607 1 84 LEU HA 1 86 GLN H . . 4.720 4.117 3.930 4.188 . 0 0 "[ . 1 . 2]" 1
608 1 92 LEU HA 1 93 LYS H . . 2.940 2.198 2.106 2.472 . 0 0 "[ . 1 . 2]" 1
609 1 27 MET HA 1 28 GLU H . . 3.480 2.462 2.258 2.658 . 0 0 "[ . 1 . 2]" 1
610 1 57 MET HA 1 60 LEU HB3 . . 4.160 4.055 3.741 4.277 0.117 14 0 "[ . 1 . 2]" 1
611 1 57 MET HA 1 60 LEU HG . . 4.290 3.855 3.283 4.310 0.020 16 0 "[ . 1 . 2]" 1
612 1 20 ILE MD 1 57 MET HA . . 4.450 3.540 2.283 4.130 . 0 0 "[ . 1 . 2]" 1
613 1 57 MET HA 1 60 LEU MD2 . . 5.080 4.859 4.456 5.176 0.096 16 0 "[ . 1 . 2]" 1
614 1 57 MET HA 1 60 LEU MD1 . . 4.000 2.529 2.125 2.994 . 0 0 "[ . 1 . 2]" 1
615 1 57 MET HA 1 60 LEU HB2 . . 4.160 2.463 2.135 2.667 . 0 0 "[ . 1 . 2]" 1
616 1 57 MET HA 1 60 LEU H . . 4.320 3.443 3.127 3.832 . 0 0 "[ . 1 . 2]" 1
617 1 57 MET HA 1 59 ARG H . . 5.220 4.611 4.410 4.779 . 0 0 "[ . 1 . 2]" 1
618 1 57 MET HA 1 61 MET H . . 4.470 3.803 3.510 4.147 . 0 0 "[ . 1 . 2]" 1
619 1 48 GLU HB2 1 49 LYS HA . . 4.830 4.650 4.509 4.813 . 0 0 "[ . 1 . 2]" 1
620 1 71 MET HA 1 72 ALA MB . . 5.220 5.076 5.031 5.119 . 0 0 "[ . 1 . 2]" 1
621 1 10 ASN HA 1 13 LYS QE . . 4.270 3.366 1.821 4.324 0.054 12 0 "[ . 1 . 2]" 1
622 1 10 ASN HA 1 13 LYS H . . 4.300 3.686 3.229 4.114 . 0 0 "[ . 1 . 2]" 1
623 1 10 ASN HA 1 14 THR H . . 5.150 4.517 3.932 5.052 . 0 0 "[ . 1 . 2]" 1
624 1 79 ASN HA 1 82 VAL MG2 . . 3.220 1.910 1.817 2.003 . 0 0 "[ . 1 . 2]" 1
625 1 79 ASN HA 1 82 VAL MG1 . . 3.380 3.431 3.315 3.517 0.137 15 0 "[ . 1 . 2]" 1
626 1 79 ASN HA 1 82 VAL H . . 3.850 3.477 3.382 3.571 . 0 0 "[ . 1 . 2]" 1
627 1 33 GLN HA 1 36 LYS H . . 4.180 3.433 2.967 3.638 . 0 0 "[ . 1 . 2]" 1
628 1 81 GLN HA 1 84 LEU QB . . 3.500 2.574 2.259 3.003 . 0 0 "[ . 1 . 2]" 1
629 1 80 VAL MG1 1 81 GLN HA . . 4.010 3.431 3.256 3.604 . 0 0 "[ . 1 . 2]" 1
630 1 81 GLN HA 1 82 VAL MG2 . . 4.870 5.100 5.082 5.117 0.247 13 0 "[ . 1 . 2]" 1
631 1 81 GLN HA 1 91 THR MG . . 4.460 2.901 2.264 3.341 . 0 0 "[ . 1 . 2]" 1
632 1 85 GLN H 1 86 GLN HA . . 5.500 5.142 5.043 5.206 . 0 0 "[ . 1 . 2]" 1
633 1 86 GLN HA 1 88 TYR H . . 5.500 5.278 4.989 5.484 . 0 0 "[ . 1 . 2]" 1
634 1 17 ARG HA 1 21 THR MG . . 4.120 3.842 3.413 4.138 0.018 13 0 "[ . 1 . 2]" 1
635 1 17 ARG HA 1 20 ILE HB . . 4.680 4.674 3.980 4.971 0.291 16 0 "[ . 1 . 2]" 1
636 1 17 ARG HA 1 60 LEU MD2 . . 3.680 3.018 2.264 3.516 . 0 0 "[ . 1 . 2]" 1
637 1 17 ARG HA 1 21 THR H . . 5.220 4.856 4.507 5.282 0.062 19 0 "[ . 1 . 2]" 1
638 1 17 ARG HA 1 19 TRP H . . 4.540 4.523 4.295 4.681 0.141 13 0 "[ . 1 . 2]" 1
639 1 59 ARG HA 1 62 GLN HB2 . . 4.530 3.948 3.408 4.417 . 0 0 "[ . 1 . 2]" 1
640 1 59 ARG HA 1 62 GLN HB3 . . 4.530 2.879 2.410 3.372 . 0 0 "[ . 1 . 2]" 1
641 1 59 ARG HA 1 62 GLN H . . 4.560 3.969 3.680 4.198 . 0 0 "[ . 1 . 2]" 1
642 1 23 ILE MG 1 24 SER HA . . 4.400 4.190 3.832 4.462 0.062 17 0 "[ . 1 . 2]" 1
643 1 90 SER HA 1 91 THR MG . . 4.290 3.920 3.623 4.268 . 0 0 "[ . 1 . 2]" 1
644 1 85 GLN QG 1 90 SER HA . . 4.520 4.410 3.594 4.683 0.163 12 0 "[ . 1 . 2]" 1
645 1 89 GLY HA2 1 90 SER HA . . 5.340 4.552 4.490 4.661 . 0 0 "[ . 1 . 2]" 1
646 1 89 GLY HA3 1 90 SER HA . . 5.340 4.635 4.548 4.668 . 0 0 "[ . 1 . 2]" 1
647 1 90 SER HA 1 91 THR HA . . 4.800 4.506 4.390 4.611 . 0 0 "[ . 1 . 2]" 1
648 1 90 SER HA 1 91 THR H . . 3.100 2.347 2.139 2.558 . 0 0 "[ . 1 . 2]" 1
649 1 14 THR HA 1 17 ARG HB2 . . 4.240 2.824 2.532 2.943 . 0 0 "[ . 1 . 2]" 1
650 1 14 THR HA 1 17 ARG HB3 . . 3.890 2.722 2.521 2.962 . 0 0 "[ . 1 . 2]" 1
651 1 14 THR HA 1 17 ARG QG . . 4.610 4.249 3.970 4.413 . 0 0 "[ . 1 . 2]" 1
652 1 13 LYS H 1 14 THR HA . . 5.500 5.271 5.173 5.396 . 0 0 "[ . 1 . 2]" 1
653 1 14 THR HA 1 17 ARG H . . 4.530 3.643 3.400 3.767 . 0 0 "[ . 1 . 2]" 1
654 1 84 LEU QB 1 91 THR HA . . 4.600 2.866 2.455 3.282 . 0 0 "[ . 1 . 2]" 1
655 1 91 THR HA 1 92 LEU H . . 3.290 2.273 2.117 2.490 . 0 0 "[ . 1 . 2]" 1
656 1 37 TYR HA 1 39 THR H . . 4.470 4.464 4.364 4.544 0.074 20 0 "[ . 1 . 2]" 1
657 1 37 TYR HA 1 40 ASP H . . 4.630 3.516 3.091 4.172 . 0 0 "[ . 1 . 2]" 1
658 1 6 ALA MB 1 12 VAL HA . . 3.410 2.073 1.961 2.262 . 0 0 "[ . 1 . 2]" 1
659 1 12 VAL HA 1 15 LEU QD . . 3.740 3.746 3.489 3.877 0.137 13 0 "[ . 1 . 2]" 1
660 1 12 VAL HA 1 16 LEU HG . . 4.730 3.237 2.888 3.470 . 0 0 "[ . 1 . 2]" 1
661 1 12 VAL HA 1 15 LEU H . . 4.420 3.679 3.528 3.817 . 0 0 "[ . 1 . 2]" 1
662 1 35 VAL HA 1 80 VAL MG2 . . 3.870 3.482 2.932 3.934 0.064 4 0 "[ . 1 . 2]" 1
663 1 32 LEU HA 1 35 VAL HA . . 5.370 4.680 4.553 4.828 . 0 0 "[ . 1 . 2]" 1
664 1 35 VAL HA 1 36 LYS HA . . 5.500 4.851 4.804 4.892 . 0 0 "[ . 1 . 2]" 1
665 1 34 VAL HA 1 37 TYR QB . . 3.720 2.406 2.051 2.822 . 0 0 "[ . 1 . 2]" 1
666 1 53 VAL HA 1 56 TYR HB3 . . 4.200 3.962 2.721 4.340 0.140 20 0 "[ . 1 . 2]" 1
667 1 53 VAL HA 1 56 TYR HB2 . . 4.200 2.847 2.103 3.885 . 0 0 "[ . 1 . 2]" 1
668 1 53 VAL HA 1 56 TYR H . . 4.060 3.700 3.334 4.052 . 0 0 "[ . 1 . 2]" 1
669 1 65 VAL HA 1 66 GLU H . . 3.530 2.754 2.064 3.570 0.040 11 0 "[ . 1 . 2]" 1
670 1 6 ALA MB 1 7 VAL HA . . 4.240 4.287 3.868 4.424 0.184 1 0 "[ . 1 . 2]" 1
671 1 80 VAL HA 1 83 VAL HB . . 3.760 3.398 3.188 3.679 . 0 0 "[ . 1 . 2]" 1
672 1 80 VAL HA 1 83 VAL H . . 4.280 3.916 3.801 4.086 . 0 0 "[ . 1 . 2]" 1
673 1 82 VAL HA 1 85 GLN QG . . 4.000 3.163 2.769 3.628 . 0 0 "[ . 1 . 2]" 1
674 1 83 VAL HA 1 85 GLN H . . 4.660 4.179 4.010 4.362 . 0 0 "[ . 1 . 2]" 1
675 1 83 VAL HA 1 84 LEU HA . . 4.850 4.799 4.755 4.830 . 0 0 "[ . 1 . 2]" 1
676 1 83 VAL HA 1 86 GLN HB3 . . 3.630 2.169 2.060 2.299 . 0 0 "[ . 1 . 2]" 1
677 1 83 VAL HA 1 86 GLN HG2 . . 5.000 4.417 4.230 4.581 . 0 0 "[ . 1 . 2]" 1
678 1 83 VAL HA 1 86 GLN HG3 . . 5.000 4.747 4.607 4.968 . 0 0 "[ . 1 . 2]" 1
679 1 83 VAL HA 1 86 GLN H . . 3.850 3.078 2.911 3.261 . 0 0 "[ . 1 . 2]" 1
680 1 19 TRP HA 1 22 THR MG . . 3.700 3.129 2.276 3.677 . 0 0 "[ . 1 . 2]" 1
681 1 19 TRP HA 1 21 THR H . . 4.410 4.438 4.082 4.559 0.149 16 0 "[ . 1 . 2]" 1
682 1 31 ILE MD 1 69 TRP HA . . 5.040 4.734 3.913 5.279 0.239 18 0 "[ . 1 . 2]" 1
683 1 56 TYR HA 1 59 ARG QB . . 3.830 2.770 2.258 3.150 . 0 0 "[ . 1 . 2]" 1
684 1 87 THR MG 1 88 TYR HA . . 4.130 3.754 3.484 3.892 . 0 0 "[ . 1 . 2]" 1
685 1 23 ILE MD 1 24 SER QB . . 5.120 4.632 3.254 5.404 0.284 8 0 "[ . 1 . 2]" 1
686 1 23 ILE HA 1 24 SER QB . . 4.330 4.206 3.890 4.521 0.191 3 0 "[ . 1 . 2]" 1
687 1 24 SER QB 1 25 ASP H . . 4.230 3.490 2.347 3.950 . 0 0 "[ . 1 . 2]" 1
688 1 11 ASP HA 1 14 THR HB . . 4.010 3.170 2.595 3.582 . 0 0 "[ . 1 . 2]" 1
689 1 39 THR HB 1 83 VAL MG1 . . 5.500 4.025 3.787 4.231 . 0 0 "[ . 1 . 2]" 1
690 1 39 THR HB 1 83 VAL MG2 . . 5.500 4.538 4.347 4.932 . 0 0 "[ . 1 . 2]" 1
691 1 42 ILE MG 1 87 THR HB . . 5.400 2.364 1.798 2.740 . 0 0 "[ . 1 . 2]" 1
692 1 91 THR HB 1 92 LEU H . . 3.600 2.991 2.328 3.330 . 0 0 "[ . 1 . 2]" 1
693 1 57 MET HB3 1 57 MET ME . . 3.330 2.403 1.886 2.916 . 0 0 "[ . 1 . 2]" 1
694 1 57 MET H 1 57 MET ME . . 3.610 3.635 3.526 3.716 0.106 13 0 "[ . 1 . 2]" 1
695 1 57 MET HB2 1 57 MET ME . . 3.330 2.520 2.019 3.358 0.028 2 0 "[ . 1 . 2]" 1
696 1 81 GLN H 1 81 GLN HG3 . . 4.150 3.787 3.662 3.984 . 0 0 "[ . 1 . 2]" 1
697 1 42 ILE MD 1 83 VAL HB . . 3.670 2.476 2.220 2.783 . 0 0 "[ . 1 . 2]" 1
698 1 42 ILE HA 1 42 ILE MD . . 3.870 3.807 3.775 3.836 . 0 0 "[ . 1 . 2]" 1
699 1 42 ILE H 1 42 ILE MD . . 4.440 3.931 3.844 4.054 . 0 0 "[ . 1 . 2]" 1
700 1 42 ILE MD 1 42 ILE MG . . 2.910 2.022 1.974 2.064 . 0 0 "[ . 1 . 2]" 1
701 1 45 LYS QE 1 45 LYS HG2 . . 3.720 2.948 2.372 3.570 . 0 0 "[ . 1 . 2]" 1
702 1 60 LEU H 1 60 LEU MD1 . . 4.100 3.561 3.338 3.773 . 0 0 "[ . 1 . 2]" 1
703 1 60 LEU HB2 1 60 LEU MD1 . . 3.540 2.334 2.289 2.399 . 0 0 "[ . 1 . 2]" 1
704 1 60 LEU HB3 1 60 LEU MD1 . . 3.540 2.516 2.410 2.619 . 0 0 "[ . 1 . 2]" 1
705 1 17 ARG HA 1 60 LEU MD1 . . 3.280 1.947 1.797 2.196 . 0 0 "[ . 1 . 2]" 1
706 1 84 LEU HA 1 84 LEU MD2 . . 3.930 2.846 2.029 3.931 0.001 11 0 "[ . 1 . 2]" 1
707 1 84 LEU QB 1 84 LEU MD2 . . 3.140 2.290 2.136 2.417 . 0 0 "[ . 1 . 2]" 1
708 1 84 LEU H 1 84 LEU MD2 . . 4.490 4.240 3.825 4.423 . 0 0 "[ . 1 . 2]" 1
709 1 49 LYS HB2 1 49 LYS HE2 . . 5.500 4.278 3.678 5.342 . 0 0 "[ . 1 . 2]" 1
710 1 49 LYS HB2 1 49 LYS HE3 . . 5.500 4.653 3.743 5.516 0.016 16 0 "[ . 1 . 2]" 1
711 1 95 THR H 1 95 THR MG . . 4.040 3.803 2.106 3.959 . 0 0 "[ . 1 . 2]" 1
712 1 95 THR HA 1 95 THR MG . . 3.240 2.490 2.378 3.271 0.031 15 0 "[ . 1 . 2]" 1
713 1 76 ILE HB 1 76 ILE MD . . 3.420 2.350 2.236 2.389 . 0 0 "[ . 1 . 2]" 1
714 1 76 ILE MD 1 76 ILE MG . . 3.280 3.201 2.348 3.266 . 0 0 "[ . 1 . 2]" 1
715 1 23 ILE HA 1 23 ILE MD . . 3.260 2.005 1.839 2.105 . 0 0 "[ . 1 . 2]" 1
716 1 23 ILE MD 1 23 ILE MG . . 3.270 2.470 1.897 3.296 0.026 7 0 "[ . 1 . 2]" 1
717 1 65 VAL HA 1 65 VAL MG2 . . 3.360 2.628 2.360 3.280 . 0 0 "[ . 1 . 2]" 1
718 1 65 VAL H 1 65 VAL MG2 . . 3.990 2.956 1.985 4.118 0.128 3 0 "[ . 1 . 2]" 1
719 1 82 VAL MG2 1 83 VAL H . . 3.280 2.186 2.113 2.239 . 0 0 "[ . 1 . 2]" 1
720 1 83 VAL H 1 83 VAL MG2 . . 4.400 2.187 2.087 2.244 . 0 0 "[ . 1 . 2]" 1
721 1 7 VAL QG 1 8 GLU HG3 . . 4.620 2.706 1.735 4.122 . 0 0 "[ . 1 . 2]" 1
722 1 33 GLN HA 1 33 GLN HG2 . . 3.910 3.338 2.918 3.436 . 0 0 "[ . 1 . 2]" 1
723 1 82 VAL H 1 82 VAL HB . . 3.730 3.675 3.647 3.709 . 0 0 "[ . 1 . 2]" 1
724 1 59 ARG H 1 59 ARG HD3 . . 4.990 4.910 4.666 5.115 0.125 8 0 "[ . 1 . 2]" 1
725 1 65 VAL HA 1 65 VAL MG1 . . 3.360 2.813 2.243 3.285 . 0 0 "[ . 1 . 2]" 1
726 1 65 VAL H 1 65 VAL MG1 . . 3.990 2.795 1.970 3.870 . 0 0 "[ . 1 . 2]" 1
727 1 60 LEU H 1 60 LEU MD2 . . 3.940 3.650 3.408 3.818 . 0 0 "[ . 1 . 2]" 1
728 1 60 LEU HB2 1 60 LEU MD2 . . 3.510 3.246 3.231 3.253 . 0 0 "[ . 1 . 2]" 1
729 1 60 LEU HB3 1 60 LEU MD2 . . 3.510 2.387 2.335 2.484 . 0 0 "[ . 1 . 2]" 1
730 1 60 LEU HA 1 60 LEU MD2 . . 2.940 2.085 1.995 2.206 . 0 0 "[ . 1 . 2]" 1
731 1 21 THR MG 1 60 LEU MD2 . . 3.070 2.520 2.054 3.025 . 0 0 "[ . 1 . 2]" 1
732 1 76 ILE H 1 76 ILE HG13 . . 4.890 4.594 4.361 4.632 . 0 0 "[ . 1 . 2]" 1
733 1 33 GLN HA 1 36 LYS QG . . 4.190 2.778 2.184 4.009 . 0 0 "[ . 1 . 2]" 1
734 1 13 LYS HB2 1 13 LYS QE . . 4.580 2.959 2.034 3.794 . 0 0 "[ . 1 . 2]" 1
735 1 83 VAL H 1 83 VAL MG1 . . 4.400 3.866 3.843 3.890 . 0 0 "[ . 1 . 2]" 1
736 1 92 LEU HA 1 92 LEU MD2 . . 4.160 3.726 2.586 3.986 . 0 0 "[ . 1 . 2]" 1
737 1 61 MET H 1 61 MET ME . . 5.020 4.606 4.097 4.930 . 0 0 "[ . 1 . 2]" 1
738 1 47 LEU HB3 1 47 LEU MD1 . . 3.490 2.392 2.362 2.420 . 0 0 "[ . 1 . 2]" 1
739 1 47 LEU HA 1 47 LEU MD1 . . 3.710 2.618 2.394 2.804 . 0 0 "[ . 1 . 2]" 1
740 1 47 LEU HB2 1 47 LEU MD1 . . 3.230 3.256 3.240 3.266 0.036 1 0 "[ . 1 . 2]" 1
741 1 32 LEU H 1 32 LEU MD2 . . 4.010 2.416 2.265 2.512 . 0 0 "[ . 1 . 2]" 1
742 1 32 LEU HA 1 32 LEU MD2 . . 3.840 2.554 2.339 2.735 . 0 0 "[ . 1 . 2]" 1
743 1 32 LEU HB2 1 32 LEU MD2 . . 3.130 2.431 2.363 2.531 . 0 0 "[ . 1 . 2]" 1
744 1 71 MET H 1 71 MET HG2 . . 3.840 2.861 2.240 3.860 0.020 16 0 "[ . 1 . 2]" 1
745 1 20 ILE MD 1 60 LEU HB2 . . 4.300 2.518 1.934 2.945 . 0 0 "[ . 1 . 2]" 1
746 1 84 LEU HA 1 84 LEU MD1 . . 3.930 3.249 2.054 3.916 . 0 0 "[ . 1 . 2]" 1
747 1 84 LEU QB 1 84 LEU MD1 . . 3.140 2.219 2.133 2.401 . 0 0 "[ . 1 . 2]" 1
748 1 84 LEU H 1 84 LEU MD1 . . 4.490 4.045 3.701 4.220 . 0 0 "[ . 1 . 2]" 1
749 1 42 ILE H 1 42 ILE HB . . 4.040 2.225 2.113 2.399 . 0 0 "[ . 1 . 2]" 1
750 1 28 GLU HA 1 31 ILE HB . . 4.680 3.093 2.426 3.597 . 0 0 "[ . 1 . 2]" 1
751 1 48 GLU H 1 48 GLU HG2 . . 3.840 2.214 2.031 3.285 . 0 0 "[ . 1 . 2]" 1
752 1 84 LEU HA 1 87 THR MG . . 3.090 1.850 1.790 1.926 . 0 0 "[ . 1 . 2]" 1
753 1 54 ILE H 1 54 ILE HB . . 3.810 2.518 2.442 2.622 . 0 0 "[ . 1 . 2]" 1
754 1 12 VAL H 1 12 VAL MG1 . . 3.960 2.157 2.080 2.260 . 0 0 "[ . 1 . 2]" 1
755 1 34 VAL H 1 34 VAL MG1 . . 3.990 3.605 2.687 3.814 . 0 0 "[ . 1 . 2]" 1
756 1 61 MET H 1 61 MET HG2 . . 4.630 3.760 2.323 4.701 0.071 10 0 "[ . 1 . 2]" 1
757 1 61 MET HA 1 61 MET HG2 . . 4.200 2.668 2.447 3.650 . 0 0 "[ . 1 . 2]" 1
758 1 45 LYS H 1 45 LYS HG2 . . 4.420 3.092 2.916 4.493 0.073 7 0 "[ . 1 . 2]" 1
759 1 45 LYS QB 1 45 LYS HD3 . . 3.700 3.216 2.479 3.617 . 0 0 "[ . 1 . 2]" 1
760 1 45 LYS H 1 45 LYS HD3 . . 4.700 3.528 2.555 4.562 . 0 0 "[ . 1 . 2]" 1
761 1 15 LEU HA 1 17 ARG HB2 . . 5.500 5.682 5.618 5.790 0.290 15 0 "[ . 1 . 2]" 1
762 1 16 LEU HA 1 17 ARG HB2 . . 5.500 5.685 5.631 5.773 0.273 9 0 "[ . 1 . 2]" 1
763 1 35 VAL H 1 35 VAL MG2 . . 4.030 2.242 2.121 2.390 . 0 0 "[ . 1 . 2]" 1
764 1 35 VAL HA 1 35 VAL MG2 . . 3.120 2.414 2.368 2.469 . 0 0 "[ . 1 . 2]" 1
765 1 86 GLN H 1 86 GLN HB2 . . 3.760 2.679 2.530 2.779 . 0 0 "[ . 1 . 2]" 1
766 1 50 LEU H 1 50 LEU MD2 . . 5.390 4.067 2.583 4.457 . 0 0 "[ . 1 . 2]" 1
767 1 50 LEU HA 1 50 LEU MD2 . . 3.710 2.264 1.926 3.885 0.175 14 0 "[ . 1 . 2]" 1
768 1 50 LEU H 1 50 LEU MD1 . . 5.390 4.292 3.975 4.388 . 0 0 "[ . 1 . 2]" 1
769 1 22 THR H 1 22 THR MG . . 3.720 2.405 2.244 2.584 . 0 0 "[ . 1 . 2]" 1
770 1 22 THR HA 1 22 THR MG . . 3.200 3.269 3.259 3.288 0.088 19 0 "[ . 1 . 2]" 1
771 1 8 GLU H 1 8 GLU HG3 . . 3.800 2.732 2.104 3.803 0.003 18 0 "[ . 1 . 2]" 1
772 1 8 GLU HA 1 8 GLU HG3 . . 3.950 3.318 2.914 3.843 . 0 0 "[ . 1 . 2]" 1
773 1 93 LYS H 1 93 LYS HB3 . . 3.940 3.654 3.218 3.869 . 0 0 "[ . 1 . 2]" 1
774 1 35 VAL H 1 35 VAL MG1 . . 4.030 3.851 3.810 3.886 . 0 0 "[ . 1 . 2]" 1
775 1 84 LEU H 1 84 LEU QB . . 3.580 2.238 2.112 2.343 . 0 0 "[ . 1 . 2]" 1
776 1 85 GLN H 1 85 GLN HB3 . . 3.930 3.591 3.532 3.631 . 0 0 "[ . 1 . 2]" 1
777 1 49 LYS HA 1 49 LYS HG2 . . 3.660 2.707 2.413 3.134 . 0 0 "[ . 1 . 2]" 1
778 1 34 VAL H 1 34 VAL MG2 . . 3.990 1.876 1.835 1.953 . 0 0 "[ . 1 . 2]" 1
779 1 17 ARG H 1 17 ARG QD . . 4.660 4.611 4.381 4.750 0.090 6 0 "[ . 1 . 2]" 1
780 1 14 THR HA 1 17 ARG QD . . 4.570 3.232 2.800 3.623 . 0 0 "[ . 1 . 2]" 1
781 1 17 ARG HB2 1 17 ARG QD . . 3.780 2.578 2.432 3.205 . 0 0 "[ . 1 . 2]" 1
782 1 17 ARG HB3 1 17 ARG QD . . 3.730 2.800 2.330 3.165 . 0 0 "[ . 1 . 2]" 1
783 1 31 ILE H 1 31 ILE MG . . 4.200 3.814 3.785 3.842 . 0 0 "[ . 1 . 2]" 1
784 1 10 ASN H 1 10 ASN HB3 . . 4.100 2.916 2.445 3.660 . 0 0 "[ . 1 . 2]" 1
785 1 36 LYS QE 1 36 LYS QG . . 3.120 2.336 2.178 2.427 . 0 0 "[ . 1 . 2]" 1
786 1 36 LYS HA 1 36 LYS QE . . 4.370 4.014 3.079 4.274 . 0 0 "[ . 1 . 2]" 1
787 1 32 LEU HB3 1 36 LYS QE . . 4.530 3.067 2.491 4.700 0.170 20 0 "[ . 1 . 2]" 1
788 1 36 LYS HB2 1 36 LYS QE . . 4.920 4.426 3.722 4.591 . 0 0 "[ . 1 . 2]" 1
789 1 36 LYS HB3 1 36 LYS QE . . 4.920 4.176 2.379 4.591 . 0 0 "[ . 1 . 2]" 1
790 1 32 LEU HA 1 32 LEU MD1 . . 3.030 2.058 1.959 2.208 . 0 0 "[ . 1 . 2]" 1
791 1 32 LEU HB3 1 32 LEU MD1 . . 3.340 2.382 2.318 2.441 . 0 0 "[ . 1 . 2]" 1
792 1 32 LEU HB2 1 32 LEU MD1 . . 3.220 3.236 3.223 3.246 0.026 10 0 "[ . 1 . 2]" 1
793 1 71 MET H 1 71 MET QB . . 3.820 2.445 2.380 2.591 . 0 0 "[ . 1 . 2]" 1
794 1 20 ILE MD 1 20 ILE MG . . 3.050 1.994 1.926 2.056 . 0 0 "[ . 1 . 2]" 1
795 1 20 ILE HA 1 20 ILE MD . . 3.950 3.818 3.733 3.879 . 0 0 "[ . 1 . 2]" 1
796 1 20 ILE HB 1 20 ILE MD . . 3.430 2.463 2.403 2.529 . 0 0 "[ . 1 . 2]" 1
797 1 63 GLN H 1 63 GLN QG . . 3.810 3.553 2.329 4.077 0.267 11 0 "[ . 1 . 2]" 1
798 1 59 ARG H 1 59 ARG HG2 . . 4.690 4.423 4.147 4.497 . 0 0 "[ . 1 . 2]" 1
799 1 31 ILE HB 1 31 ILE MD . . 3.030 2.429 2.391 2.473 . 0 0 "[ . 1 . 2]" 1
800 1 31 ILE H 1 31 ILE MD . . 4.100 3.429 3.243 3.526 . 0 0 "[ . 1 . 2]" 1
801 1 31 ILE MD 1 31 ILE MG . . 2.910 2.076 2.038 2.166 . 0 0 "[ . 1 . 2]" 1
802 1 31 ILE HA 1 31 ILE MD . . 3.950 3.993 3.953 4.048 0.098 20 0 "[ . 1 . 2]" 1
803 1 25 ASP H 1 25 ASP HB2 . . 4.050 2.942 2.160 3.554 . 0 0 "[ . 1 . 2]" 1
804 1 54 ILE HB 1 54 ILE MD . . 3.580 3.270 3.259 3.283 . 0 0 "[ . 1 . 2]" 1
805 1 54 ILE MD 1 54 ILE MG . . 2.890 2.054 2.016 2.122 . 0 0 "[ . 1 . 2]" 1
806 1 54 ILE H 1 54 ILE MG . . 3.990 3.832 3.809 3.866 . 0 0 "[ . 1 . 2]" 1
807 1 54 ILE HG13 1 54 ILE MG . . 3.510 2.411 2.371 2.453 . 0 0 "[ . 1 . 2]" 1
808 1 54 ILE HG12 1 54 ILE MG . . 3.310 3.244 3.234 3.256 . 0 0 "[ . 1 . 2]" 1
809 1 86 GLN H 1 86 GLN HG2 . . 4.050 4.273 4.226 4.313 0.263 6 0 "[ . 1 . 2]" 1
810 1 8 GLU H 1 8 GLU HG2 . . 3.800 3.185 2.108 3.716 . 0 0 "[ . 1 . 2]" 1
811 1 45 LYS QB 1 45 LYS QE . . 4.250 3.085 2.006 3.946 . 0 0 "[ . 1 . 2]" 1
812 1 45 LYS HA 1 45 LYS QE . . 4.930 3.464 2.447 4.358 . 0 0 "[ . 1 . 2]" 1
813 1 77 LEU H 1 77 LEU MD1 . . 4.640 4.203 3.822 4.406 . 0 0 "[ . 1 . 2]" 1
814 1 77 LEU HA 1 77 LEU MD1 . . 3.670 2.294 1.960 3.831 0.161 7 0 "[ . 1 . 2]" 1
815 1 77 LEU HB3 1 77 LEU MD1 . . 3.370 2.448 2.365 3.262 . 0 0 "[ . 1 . 2]" 1
816 1 92 LEU H 1 92 LEU HG . . 4.250 4.324 3.864 4.471 0.221 6 0 "[ . 1 . 2]" 1
817 1 80 VAL H 1 80 VAL MG2 . . 3.290 2.122 1.998 2.207 . 0 0 "[ . 1 . 2]" 1
818 1 33 GLN H 1 33 GLN HB3 . . 4.160 3.651 3.580 3.681 . 0 0 "[ . 1 . 2]" 1
819 1 72 ALA H 1 72 ALA MB . . 3.310 2.266 2.238 2.302 . 0 0 "[ . 1 . 2]" 1
820 1 79 ASN H 1 81 GLN HB2 . . 5.500 5.185 5.038 5.307 . 0 0 "[ . 1 . 2]" 1
821 1 16 LEU H 1 16 LEU MD2 . . 4.060 2.791 2.645 2.903 . 0 0 "[ . 1 . 2]" 1
822 1 16 LEU HA 1 16 LEU MD2 . . 3.430 2.112 2.062 2.176 . 0 0 "[ . 1 . 2]" 1
823 1 79 ASN H 1 79 ASN HB3 . . 3.790 3.594 3.572 3.612 . 0 0 "[ . 1 . 2]" 1
824 1 45 LYS QB 1 45 LYS HD2 . . 3.700 2.819 2.542 3.114 . 0 0 "[ . 1 . 2]" 1
825 1 39 THR H 1 39 THR MG . . 3.780 3.794 3.763 3.807 0.027 9 0 "[ . 1 . 2]" 1
826 1 39 THR HA 1 39 THR MG . . 3.390 2.429 2.398 2.463 . 0 0 "[ . 1 . 2]" 1
827 1 42 ILE HA 1 42 ILE MG . . 3.320 2.830 2.651 3.014 . 0 0 "[ . 1 . 2]" 1
828 1 42 ILE H 1 42 ILE MG . . 3.890 3.631 3.452 3.785 . 0 0 "[ . 1 . 2]" 1
829 1 82 VAL H 1 82 VAL MG2 . . 2.960 2.077 2.039 2.134 . 0 0 "[ . 1 . 2]" 1
830 1 71 MET HA 1 71 MET HG3 . . 3.860 3.507 2.587 3.875 0.015 13 0 "[ . 1 . 2]" 1
831 1 71 MET H 1 71 MET HG3 . . 3.840 3.243 2.303 3.825 . 0 0 "[ . 1 . 2]" 1
832 1 79 ASN H 1 79 ASN HB2 . . 3.790 2.376 2.347 2.409 . 0 0 "[ . 1 . 2]" 1
833 1 12 VAL HA 1 12 VAL MG2 . . 3.510 3.281 3.271 3.289 . 0 0 "[ . 1 . 2]" 1
834 1 53 VAL H 1 53 VAL HB . . 3.420 2.537 2.462 2.593 . 0 0 "[ . 1 . 2]" 1
835 1 76 ILE H 1 76 ILE HG12 . . 4.890 4.780 4.684 4.819 . 0 0 "[ . 1 . 2]" 1
836 1 6 ALA HA 1 8 GLU HB2 . . 5.500 5.309 4.228 5.737 0.237 1 0 "[ . 1 . 2]" 1
837 1 15 LEU HA 1 17 ARG HB3 . . 5.500 4.727 4.482 4.980 . 0 0 "[ . 1 . 2]" 1
838 1 13 LYS H 1 13 LYS HG2 . . 4.680 3.943 3.063 4.550 . 0 0 "[ . 1 . 2]" 1
839 1 7 VAL HA 1 7 VAL QG . . 3.250 2.339 2.193 2.408 . 0 0 "[ . 1 . 2]" 1
840 1 7 VAL H 1 7 VAL QG . . 4.040 2.097 1.910 2.545 . 0 0 "[ . 1 . 2]" 1
841 1 23 ILE H 1 23 ILE MG . . 4.370 3.392 1.929 3.919 . 0 0 "[ . 1 . 2]" 1
842 1 23 ILE HA 1 23 ILE MG . . 3.560 2.759 2.468 3.264 . 0 0 "[ . 1 . 2]" 1
843 1 47 LEU HB3 1 47 LEU MD2 . . 3.490 3.245 3.232 3.258 . 0 0 "[ . 1 . 2]" 1
844 1 47 LEU HB2 1 47 LEU MD2 . . 3.230 2.453 2.418 2.504 . 0 0 "[ . 1 . 2]" 1
845 1 82 VAL HA 1 82 VAL MG1 . . 3.060 2.409 2.395 2.421 . 0 0 "[ . 1 . 2]" 1
846 1 32 LEU H 1 32 LEU HG . . 4.040 4.094 4.042 4.166 0.126 8 0 "[ . 1 . 2]" 1
847 1 32 LEU HA 1 32 LEU HG . . 4.130 3.737 3.720 3.767 . 0 0 "[ . 1 . 2]" 1
848 1 58 LYS QB 1 58 LYS QD . . 3.490 2.275 2.079 2.401 . 0 0 "[ . 1 . 2]" 1
849 1 49 LYS HB3 1 49 LYS HE2 . . 5.500 2.929 2.057 4.609 . 0 0 "[ . 1 . 2]" 1
850 1 49 LYS HB3 1 49 LYS HE3 . . 5.500 3.414 2.183 4.906 . 0 0 "[ . 1 . 2]" 1
851 1 13 LYS HB3 1 13 LYS QE . . 4.580 2.537 1.868 3.004 . 0 0 "[ . 1 . 2]" 1
852 1 43 GLU H 1 43 GLU HG2 . . 3.620 2.454 1.938 3.069 . 0 0 "[ . 1 . 2]" 1
853 1 43 GLU HA 1 43 GLU HG3 . . 3.680 3.658 3.286 3.882 0.202 4 0 "[ . 1 . 2]" 1
854 1 77 LEU H 1 77 LEU MD2 . . 4.640 3.166 2.630 4.313 . 0 0 "[ . 1 . 2]" 1
855 1 77 LEU HB3 1 77 LEU MD2 . . 3.370 3.161 2.366 3.252 . 0 0 "[ . 1 . 2]" 1
856 1 22 THR MG 1 23 ILE HB . . 4.170 3.518 2.391 4.143 . 0 0 "[ . 1 . 2]" 1
857 1 4 ALA MB 1 16 LEU MD1 . . 4.270 3.992 3.538 4.373 0.103 12 0 "[ . 1 . 2]" 1
858 1 4 ALA MB 1 6 ALA HA . . 5.440 5.655 5.451 5.894 0.454 13 0 "[ . 1 . 2]" 1
859 1 4 ALA MB 1 16 LEU HA . . 5.500 4.312 4.032 4.710 . 0 0 "[ . 1 . 2]" 1
860 1 4 ALA MB 1 5 GLY H . . 3.920 3.684 3.642 3.714 . 0 0 "[ . 1 . 2]" 1
861 1 4 ALA MB 1 6 ALA H . . 4.520 3.522 3.301 4.159 . 0 0 "[ . 1 . 2]" 1
862 1 6 ALA MB 1 12 VAL MG1 . . 3.800 2.044 1.904 2.170 . 0 0 "[ . 1 . 2]" 1
863 1 6 ALA MB 1 12 VAL HB . . 4.430 3.440 3.355 3.550 . 0 0 "[ . 1 . 2]" 1
864 1 6 ALA MB 1 11 ASP HB2 . . 3.930 3.575 2.395 4.140 0.210 13 0 "[ . 1 . 2]" 1
865 1 6 ALA MB 1 11 ASP HB3 . . 3.930 2.641 2.142 3.224 . 0 0 "[ . 1 . 2]" 1
866 1 6 ALA MB 1 7 VAL H . . 3.650 3.234 2.476 3.523 . 0 0 "[ . 1 . 2]" 1
867 1 31 ILE HB 1 72 ALA MB . . 4.720 4.446 4.081 4.715 . 0 0 "[ . 1 . 2]" 1
868 1 71 MET QB 1 72 ALA MB . . 5.060 3.812 3.580 4.066 . 0 0 "[ . 1 . 2]" 1
869 1 31 ILE MG 1 72 ALA MB . . 3.740 2.614 2.224 3.086 . 0 0 "[ . 1 . 2]" 1
870 1 72 ALA MB 1 76 ILE MD . . 4.120 4.310 4.204 4.455 0.335 12 0 "[ . 1 . 2]" 1
871 1 69 TRP HA 1 72 ALA MB . . 4.040 2.122 1.795 2.712 . 0 0 "[ . 1 . 2]" 1
872 1 51 ASP QB 1 52 LEU HB3 . . 5.090 4.618 4.363 4.874 . 0 0 "[ . 1 . 2]" 1
873 1 51 ASP QB 1 54 ILE HG13 . . 5.300 5.044 4.516 5.417 0.117 3 0 "[ . 1 . 2]" 1
874 1 48 GLU HA 1 51 ASP QB . . 3.820 2.995 2.658 3.331 . 0 0 "[ . 1 . 2]" 1
875 1 51 ASP QB 1 52 LEU H . . 3.610 2.576 2.424 2.829 . 0 0 "[ . 1 . 2]" 1
876 1 20 ILE HB 1 21 THR MG . . 4.520 4.466 4.352 4.553 0.033 20 0 "[ . 1 . 2]" 1
877 1 20 ILE HB 1 21 THR H . . 4.110 4.146 4.077 4.197 0.087 10 0 "[ . 1 . 2]" 1
878 1 31 ILE HB 1 32 LEU H . . 4.360 2.411 2.301 2.560 . 0 0 "[ . 1 . 2]" 1
879 1 39 THR HA 1 42 ILE HB . . 4.220 2.403 2.092 2.701 . 0 0 "[ . 1 . 2]" 1
880 1 42 ILE HB 1 43 GLU H . . 4.240 2.934 2.693 3.203 . 0 0 "[ . 1 . 2]" 1
881 1 58 LYS QB 1 94 VAL MG1 . . 5.500 4.025 3.106 4.815 . 0 0 "[ . 1 . 2]" 1
882 1 58 LYS QB 1 94 VAL MG2 . . 5.500 2.923 2.338 3.714 . 0 0 "[ . 1 . 2]" 1
883 1 59 ARG QB 1 60 LEU HG . . 4.150 3.198 2.963 3.525 . 0 0 "[ . 1 . 2]" 1
884 1 34 VAL HB 1 35 VAL H . . 4.450 3.109 2.745 4.046 . 0 0 "[ . 1 . 2]" 1
885 1 35 VAL HB 1 36 LYS H . . 4.320 2.663 2.498 2.866 . 0 0 "[ . 1 . 2]" 1
886 1 52 LEU H 1 53 VAL HB . . 5.070 4.899 4.765 5.086 0.016 12 0 "[ . 1 . 2]" 1
887 1 61 MET QB 1 62 GLN HA . . 4.530 4.045 3.785 4.198 . 0 0 "[ . 1 . 2]" 1
888 1 80 VAL HB 1 81 GLN HA . . 5.090 4.312 4.203 4.424 . 0 0 "[ . 1 . 2]" 1
889 1 65 VAL HB 1 66 GLU H . . 4.250 3.682 1.916 4.409 0.159 1 0 "[ . 1 . 2]" 1
890 1 7 VAL HB 1 8 GLU H . . 4.100 3.938 2.579 4.163 0.063 2 0 "[ . 1 . 2]" 1
891 1 79 ASN HA 1 82 VAL HB . . 4.920 4.790 4.678 4.872 . 0 0 "[ . 1 . 2]" 1
892 1 82 VAL HB 1 83 VAL H . . 3.860 3.851 3.783 3.888 0.028 12 0 "[ . 1 . 2]" 1
893 1 69 TRP QB 1 70 ASN H . . 4.720 3.278 2.749 3.758 . 0 0 "[ . 1 . 2]" 1
894 1 38 CYS HB3 1 80 VAL MG1 . . 5.020 3.201 2.205 4.464 . 0 0 "[ . 1 . 2]" 1
895 1 11 ASP HB2 1 12 VAL H . . 4.350 3.445 2.572 3.860 . 0 0 "[ . 1 . 2]" 1
896 1 23 ILE MG 1 25 ASP HB3 . . 4.800 3.983 2.283 5.020 0.220 19 0 "[ . 1 . 2]" 1
897 1 23 ILE MG 1 25 ASP HB2 . . 4.800 3.857 2.243 5.060 0.260 18 0 "[ . 1 . 2]" 1
898 1 78 ASP HB2 1 79 ASN HD21 . . 4.700 4.129 3.968 4.356 . 0 0 "[ . 1 . 2]" 1
899 1 78 ASP HB3 1 79 ASN HD21 . . 4.700 2.462 2.317 2.692 . 0 0 "[ . 1 . 2]" 1
900 1 78 ASP HB3 1 79 ASN H . . 3.750 2.469 2.375 2.600 . 0 0 "[ . 1 . 2]" 1
901 1 78 ASP HB2 1 79 ASN H . . 3.750 3.822 3.770 3.879 0.129 12 0 "[ . 1 . 2]" 1
902 1 28 GLU HB3 1 31 ILE MD . . 4.070 3.081 2.683 4.278 0.208 12 0 "[ . 1 . 2]" 1
903 1 42 ILE MG 1 43 GLU HB3 . . 4.720 4.762 4.558 4.857 0.137 13 0 "[ . 1 . 2]" 1
904 1 48 GLU HB3 1 49 LYS H . . 4.920 3.939 3.845 4.053 . 0 0 "[ . 1 . 2]" 1
905 1 43 GLU HB2 1 44 GLU H . . 4.660 2.460 2.200 2.898 . 0 0 "[ . 1 . 2]" 1
906 1 43 GLU HB3 1 44 GLU H . . 4.950 3.677 3.416 4.055 . 0 0 "[ . 1 . 2]" 1
907 1 20 ILE MG 1 60 LEU HB2 . . 4.530 2.939 2.573 3.244 . 0 0 "[ . 1 . 2]" 1
908 1 79 ASN HB3 1 80 VAL MG2 . . 5.000 4.218 4.027 4.428 . 0 0 "[ . 1 . 2]" 1
909 1 35 VAL MG1 1 79 ASN HB2 . . 4.100 2.929 2.733 3.192 . 0 0 "[ . 1 . 2]" 1
910 1 79 ASN HB2 1 80 VAL MG2 . . 5.000 3.525 3.411 3.668 . 0 0 "[ . 1 . 2]" 1
911 1 35 VAL MG2 1 79 ASN HB2 . . 4.100 2.410 2.130 2.844 . 0 0 "[ . 1 . 2]" 1
912 1 79 ASN HB2 1 80 VAL H . . 4.070 2.728 2.609 2.806 . 0 0 "[ . 1 . 2]" 1
913 1 85 GLN HB2 1 91 THR MG . . 4.730 4.341 4.030 4.712 . 0 0 "[ . 1 . 2]" 1
914 1 85 GLN HB3 1 86 GLN H . . 4.100 3.711 3.419 3.867 . 0 0 "[ . 1 . 2]" 1
915 1 58 LYS QD 1 94 VAL MG1 . . 4.540 4.086 3.368 4.720 0.180 19 0 "[ . 1 . 2]" 1
916 1 58 LYS QD 1 59 ARG H . . 4.690 3.693 2.440 4.692 0.002 1 0 "[ . 1 . 2]" 1
917 1 17 ARG QD 1 21 THR MG . . 5.500 4.734 4.094 5.513 0.013 19 0 "[ . 1 . 2]" 1
918 1 17 ARG QD 1 60 LEU HG . . 5.500 5.342 4.726 5.611 0.111 16 0 "[ . 1 . 2]" 1
919 1 20 ILE MG 1 21 THR MG . . 3.560 1.771 1.650 1.860 . 0 0 "[ . 1 . 2]" 1
920 1 20 ILE MG 1 60 LEU HB3 . . 4.530 1.959 1.591 2.228 . 0 0 "[ . 1 . 2]" 1
921 1 20 ILE MG 1 57 MET HA . . 5.250 4.229 3.581 4.764 . 0 0 "[ . 1 . 2]" 1
922 1 20 ILE MG 1 61 MET HA . . 5.500 4.736 4.292 5.047 . 0 0 "[ . 1 . 2]" 1
923 1 17 ARG HA 1 20 ILE MG . . 4.470 2.545 2.119 2.789 . 0 0 "[ . 1 . 2]" 1
924 1 20 ILE MG 1 21 THR H . . 4.140 2.521 2.394 2.834 . 0 0 "[ . 1 . 2]" 1
925 1 20 ILE MD 1 60 LEU MD1 . . 4.100 3.236 2.708 3.662 . 0 0 "[ . 1 . 2]" 1
926 1 20 ILE MD 1 21 THR MG . . 3.800 3.839 3.553 4.001 0.201 10 0 "[ . 1 . 2]" 1
927 1 20 ILE MD 1 60 LEU HB3 . . 4.300 2.041 1.702 2.597 . 0 0 "[ . 1 . 2]" 1
928 1 20 ILE MD 1 61 MET HG2 . . 3.920 2.371 1.916 3.783 . 0 0 "[ . 1 . 2]" 1
929 1 20 ILE MD 1 61 MET HG3 . . 3.920 2.260 1.529 3.648 . 0 0 "[ . 1 . 2]" 1
930 1 17 ARG HA 1 20 ILE MD . . 5.370 4.876 4.246 5.262 . 0 0 "[ . 1 . 2]" 1
931 1 20 ILE MD 1 60 LEU HA . . 5.500 3.903 3.569 4.411 . 0 0 "[ . 1 . 2]" 1
932 1 22 THR HB 1 23 ILE MD . . 5.500 5.117 4.657 5.745 0.245 19 0 "[ . 1 . 2]" 1
933 1 23 ILE MD 1 24 SER H . . 4.260 3.387 2.077 3.875 . 0 0 "[ . 1 . 2]" 1
934 1 23 ILE MD 1 25 ASP H . . 4.860 4.868 4.210 5.328 0.468 4 0 "[ . 1 . 2]" 1
935 1 31 ILE MD 1 72 ALA MB . . 3.280 2.187 1.860 2.479 . 0 0 "[ . 1 . 2]" 1
936 1 28 GLU HB2 1 31 ILE MD . . 4.070 2.720 2.222 3.391 . 0 0 "[ . 1 . 2]" 1
937 1 31 ILE MD 1 72 ALA HA . . 4.180 2.422 1.813 3.407 . 0 0 "[ . 1 . 2]" 1
938 1 31 ILE MD 1 32 LEU H . . 4.410 4.294 4.034 4.433 0.023 16 0 "[ . 1 . 2]" 1
939 1 39 THR MG 1 42 ILE MD . . 4.350 3.854 3.486 4.302 . 0 0 "[ . 1 . 2]" 1
940 1 42 ILE MD 1 84 LEU QB . . 4.510 2.957 2.328 3.645 . 0 0 "[ . 1 . 2]" 1
941 1 42 ILE MD 1 87 THR HB . . 4.340 3.793 3.313 4.121 . 0 0 "[ . 1 . 2]" 1
942 1 42 ILE MD 1 88 TYR H . . 4.830 4.983 4.876 5.107 0.277 14 0 "[ . 1 . 2]" 1
943 1 51 ASP QB 1 92 LEU MD1 . . 5.500 3.501 2.471 4.290 . 0 0 "[ . 1 . 2]" 1
944 1 54 ILE MD 1 77 LEU HA . . 4.110 3.668 3.030 4.187 0.077 10 0 "[ . 1 . 2]" 1
945 1 51 ASP HA 1 54 ILE MD . . 5.000 4.548 4.161 4.913 . 0 0 "[ . 1 . 2]" 1
946 1 34 VAL HB 1 76 ILE MD . . 4.360 1.946 1.568 3.446 . 0 0 "[ . 1 . 2]" 1
947 1 31 ILE HA 1 76 ILE MD . . 4.340 2.973 2.502 3.305 . 0 0 "[ . 1 . 2]" 1
948 1 32 LEU HA 1 76 ILE MD . . 3.760 3.905 3.767 4.015 0.255 16 0 "[ . 1 . 2]" 1
949 1 6 ALA MB 1 15 LEU QD . . 3.110 1.802 1.650 1.923 . 0 0 "[ . 1 . 2]" 1
950 1 6 ALA MB 1 16 LEU HG . . 4.200 4.092 3.732 4.372 0.172 7 0 "[ . 1 . 2]" 1
951 1 31 ILE HB 1 32 LEU MD2 . . 3.200 2.546 2.402 2.733 . 0 0 "[ . 1 . 2]" 1
952 1 32 LEU MD2 1 35 VAL HB . . 4.360 4.169 3.737 4.492 0.132 19 0 "[ . 1 . 2]" 1
953 1 47 LEU MD1 1 50 LEU MD1 . . 3.880 2.298 1.903 4.063 0.183 20 0 "[ . 1 . 2]" 1
954 1 50 LEU MD1 1 51 ASP H . . 5.300 3.743 3.311 4.706 . 0 0 "[ . 1 . 2]" 1
955 1 20 ILE MG 1 60 LEU MD1 . . 4.010 2.057 1.800 2.377 . 0 0 "[ . 1 . 2]" 1
956 1 17 ARG QG 1 60 LEU MD1 . . 3.750 2.555 1.937 3.360 . 0 0 "[ . 1 . 2]" 1
957 1 17 ARG HB3 1 60 LEU MD1 . . 4.660 4.160 3.949 4.590 . 0 0 "[ . 1 . 2]" 1
958 1 17 ARG HB2 1 60 LEU MD1 . . 4.200 3.112 2.740 3.647 . 0 0 "[ . 1 . 2]" 1
959 1 17 ARG QD 1 60 LEU MD1 . . 4.320 3.889 3.386 4.354 0.034 16 0 "[ . 1 . 2]" 1
960 1 20 ILE MG 1 60 LEU MD2 . . 3.890 2.662 2.437 2.823 . 0 0 "[ . 1 . 2]" 1
961 1 17 ARG QG 1 60 LEU MD2 . . 3.590 2.052 1.845 2.303 . 0 0 "[ . 1 . 2]" 1
962 1 20 ILE HB 1 60 LEU MD2 . . 5.190 5.137 4.853 5.379 0.189 13 0 "[ . 1 . 2]" 1
963 1 59 ARG QB 1 60 LEU MD2 . . 4.890 4.076 3.678 4.368 . 0 0 "[ . 1 . 2]" 1
964 1 17 ARG HB2 1 60 LEU MD2 . . 4.970 3.962 3.200 4.402 . 0 0 "[ . 1 . 2]" 1
965 1 60 LEU MD2 1 63 GLN QG . . 5.300 4.153 3.462 4.880 . 0 0 "[ . 1 . 2]" 1
966 1 17 ARG QD 1 60 LEU MD2 . . 4.180 3.331 2.968 3.622 . 0 0 "[ . 1 . 2]" 1
967 1 92 LEU MD1 1 93 LYS H . . 4.580 2.998 1.950 4.772 0.192 5 0 "[ . 1 . 2]" 1
968 1 31 ILE MD 1 32 LEU MD2 . . 3.720 3.622 3.395 3.845 0.125 9 0 "[ . 1 . 2]" 1
969 1 16 LEU MD1 1 34 VAL HA . . 4.640 4.430 4.050 4.724 0.084 13 0 "[ . 1 . 2]" 1
970 1 4 ALA H 1 16 LEU MD1 . . 4.840 4.943 4.300 5.182 0.342 20 0 "[ . 1 . 2]" 1
971 1 39 THR MG 1 83 VAL MG1 . . 4.290 1.906 1.785 1.989 . 0 0 "[ . 1 . 2]" 1
972 1 32 LEU MD1 1 35 VAL HB . . 3.640 2.511 2.333 2.834 . 0 0 "[ . 1 . 2]" 1
973 1 47 LEU MD2 1 50 LEU MD1 . . 3.880 2.498 1.836 3.922 0.042 20 0 "[ . 1 . 2]" 1
974 1 47 LEU MD1 1 50 LEU MD2 . . 3.880 3.857 2.045 4.166 0.286 10 0 "[ . 1 . 2]" 1
975 1 47 LEU MD2 1 50 LEU MD2 . . 3.880 3.605 1.922 4.034 0.154 15 0 "[ . 1 . 2]" 1
976 1 50 LEU MD2 1 51 ASP H . . 5.300 4.353 4.155 4.585 . 0 0 "[ . 1 . 2]" 1
977 1 38 CYS H 1 50 LEU MD2 . . 5.170 3.642 3.174 4.483 . 0 0 "[ . 1 . 2]" 1
978 1 11 ASP H 1 12 VAL MG1 . . 4.110 4.088 3.872 4.222 0.112 6 0 "[ . 1 . 2]" 1
979 1 25 ASP HA 1 26 PRO HD2 . . 4.070 2.411 1.557 3.259 . 0 0 "[ . 1 . 2]" 1
980 1 25 ASP HA 1 26 PRO HD3 . . 4.070 2.489 1.635 3.462 . 0 0 "[ . 1 . 2]" 1
981 1 58 LYS QE 1 62 GLN HE21 . . 4.620 3.814 2.977 4.660 0.040 1 0 "[ . 1 . 2]" 1
982 1 58 LYS QE 1 59 ARG H . . 5.070 4.159 2.724 5.174 0.104 18 0 "[ . 1 . 2]" 1
983 1 58 LYS QE 1 62 GLN HE22 . . 4.620 3.577 2.327 4.699 0.079 10 0 "[ . 1 . 2]" 1
984 1 54 ILE HG12 1 57 MET ME . . 3.560 3.707 3.577 3.811 0.251 3 0 "[ . 1 . 2]" 1
985 1 54 ILE MD 1 57 MET ME . . 2.400 2.031 1.863 2.187 . 0 0 "[ . 1 . 2]" 1
986 1 54 ILE HA 1 57 MET ME . . 2.750 2.107 1.597 2.371 . 0 0 "[ . 1 . 2]" 1
987 1 54 ILE H 1 57 MET ME . . 3.840 3.827 3.647 3.998 0.158 2 0 "[ . 1 . 2]" 1
988 1 61 MET ME 1 76 ILE HB . . 3.650 2.660 2.317 3.250 . 0 0 "[ . 1 . 2]" 1
989 1 61 MET ME 1 72 ALA MB . . 4.000 2.342 2.043 3.089 . 0 0 "[ . 1 . 2]" 1
990 1 61 MET ME 1 76 ILE MD . . 3.450 3.188 2.342 3.509 0.059 11 0 "[ . 1 . 2]" 1
991 1 31 ILE MG 1 61 MET ME . . 3.110 3.055 2.715 3.221 0.111 11 0 "[ . 1 . 2]" 1
992 1 61 MET ME 1 76 ILE MG . . 3.410 2.360 1.917 2.816 . 0 0 "[ . 1 . 2]" 1
993 1 20 ILE MD 1 61 MET ME . . 3.390 2.801 2.119 3.350 . 0 0 "[ . 1 . 2]" 1
994 1 31 ILE HA 1 61 MET ME . . 4.300 4.152 3.575 4.464 0.164 9 0 "[ . 1 . 2]" 1
995 1 61 MET ME 1 73 PHE HA . . 3.970 3.360 2.919 3.818 . 0 0 "[ . 1 . 2]" 1
996 1 61 MET ME 1 76 ILE H . . 4.950 4.346 4.120 4.842 . 0 0 "[ . 1 . 2]" 1
997 1 4 ALA MB 1 16 LEU MD2 . . 4.090 2.210 1.929 2.570 . 0 0 "[ . 1 . 2]" 1
998 1 85 GLN QG 1 86 GLN H . . 5.020 4.360 4.197 4.458 . 0 0 "[ . 1 . 2]" 1
999 1 85 GLN QG 1 91 THR MG . . 3.830 2.249 1.906 2.649 . 0 0 "[ . 1 . 2]" 1
1000 1 81 GLN HA 1 85 GLN QG . . 4.640 4.137 3.872 4.368 . 0 0 "[ . 1 . 2]" 1
1001 1 85 GLN QG 1 91 THR HA . . 5.020 3.779 3.292 4.202 . 0 0 "[ . 1 . 2]" 1
1002 1 12 VAL MG1 1 16 LEU HG . . 4.100 4.312 4.121 4.411 0.311 9 0 "[ . 1 . 2]" 1
1003 1 12 VAL MG2 1 16 LEU HG . . 4.100 4.210 4.069 4.302 0.202 14 0 "[ . 1 . 2]" 1
1004 1 6 ALA MB 1 12 VAL MG2 . . 3.800 3.935 3.885 4.032 0.232 2 0 "[ . 1 . 2]" 1
1005 1 11 ASP H 1 12 VAL MG2 . . 4.110 4.000 3.784 4.145 0.035 16 0 "[ . 1 . 2]" 1
1006 1 34 VAL MG2 1 35 VAL H . . 4.330 3.199 2.674 3.453 . 0 0 "[ . 1 . 2]" 1
1007 1 35 VAL MG2 1 79 ASN HB3 . . 4.100 2.888 2.540 3.417 . 0 0 "[ . 1 . 2]" 1
1008 1 32 LEU HA 1 35 VAL MG2 . . 4.210 2.222 2.112 2.311 . 0 0 "[ . 1 . 2]" 1
1009 1 35 VAL MG2 1 79 ASN H . . 5.210 4.300 3.948 4.630 . 0 0 "[ . 1 . 2]" 1
1010 1 35 VAL MG1 1 79 ASN HB3 . . 4.100 1.992 1.912 2.182 . 0 0 "[ . 1 . 2]" 1
1011 1 22 THR MG 1 23 ILE MD . . 3.120 2.474 2.031 3.032 . 0 0 "[ . 1 . 2]" 1
1012 1 22 THR MG 1 23 ILE MG . . 4.160 4.101 3.251 4.314 0.154 17 0 "[ . 1 . 2]" 1
1013 1 65 VAL MG2 1 66 GLU H . . 4.050 3.155 1.589 4.121 0.071 17 0 "[ . 1 . 2]" 1
1014 1 7 VAL QG 1 8 GLU HB2 . . 4.550 3.927 3.353 4.767 0.217 19 0 "[ . 1 . 2]" 1
1015 1 7 VAL QG 1 8 GLU H . . 3.990 2.453 2.113 3.219 . 0 0 "[ . 1 . 2]" 1
1016 1 58 LYS QD 1 94 VAL MG2 . . 4.540 2.492 1.770 3.724 . 0 0 "[ . 1 . 2]" 1
1017 1 80 VAL MG1 1 84 LEU QB . . 3.790 3.296 3.010 3.766 . 0 0 "[ . 1 . 2]" 1
1018 1 38 CYS HB2 1 80 VAL MG1 . . 5.020 4.100 3.503 4.638 . 0 0 "[ . 1 . 2]" 1
1019 1 38 CYS HA 1 80 VAL MG1 . . 5.500 4.574 4.166 4.932 . 0 0 "[ . 1 . 2]" 1
1020 1 77 LEU HA 1 80 VAL MG1 . . 5.500 4.192 3.939 4.533 . 0 0 "[ . 1 . 2]" 1
1021 1 93 LYS HA 1 94 VAL MG2 . . 5.000 3.719 3.101 3.974 . 0 0 "[ . 1 . 2]" 1
1022 1 80 VAL MG1 1 81 GLN H . . 3.750 3.568 3.393 3.716 . 0 0 "[ . 1 . 2]" 1
1023 1 54 ILE HG12 1 80 VAL MG2 . . 4.970 4.093 3.690 4.305 . 0 0 "[ . 1 . 2]" 1
1024 1 38 CYS HB2 1 80 VAL MG2 . . 3.650 2.743 2.363 3.069 . 0 0 "[ . 1 . 2]" 1
1025 1 38 CYS HB3 1 80 VAL MG2 . . 3.650 2.439 1.981 3.131 . 0 0 "[ . 1 . 2]" 1
1026 1 80 VAL MG2 1 81 GLN H . . 4.150 3.945 3.851 4.025 . 0 0 "[ . 1 . 2]" 1
1027 1 79 ASN H 1 80 VAL MG2 . . 4.270 4.206 4.077 4.335 0.065 15 0 "[ . 1 . 2]" 1
1028 1 79 ASN HD21 1 82 VAL MG1 . . 4.340 4.388 4.303 4.458 0.118 14 0 "[ . 1 . 2]" 1
1029 1 82 VAL MG1 1 83 VAL H . . 4.220 4.027 3.957 4.082 . 0 0 "[ . 1 . 2]" 1
1030 1 39 THR MG 1 83 VAL MG2 . . 4.290 3.114 2.625 3.382 . 0 0 "[ . 1 . 2]" 1
1031 1 80 VAL HA 1 82 VAL MG2 . . 4.390 4.516 4.441 4.600 0.210 6 0 "[ . 1 . 2]" 1
1032 1 80 VAL HA 1 83 VAL MG2 . . 5.500 3.805 3.477 3.960 . 0 0 "[ . 1 . 2]" 1
1033 1 32 LEU MD1 1 35 VAL HA . . 5.250 4.878 4.742 5.096 . 0 0 "[ . 1 . 2]" 1
1034 1 80 VAL HA 1 83 VAL MG1 . . 5.500 4.750 4.530 5.026 . 0 0 "[ . 1 . 2]" 1
1035 1 32 LEU H 1 32 LEU MD1 . . 5.500 3.942 3.812 4.117 . 0 0 "[ . 1 . 2]" 1
1036 1 93 LYS HA 1 94 VAL MG1 . . 5.000 4.127 3.793 4.475 . 0 0 "[ . 1 . 2]" 1
1037 1 94 VAL MG1 1 95 THR H . . 4.450 4.106 3.964 4.272 . 0 0 "[ . 1 . 2]" 1
1038 1 79 ASN H 1 82 VAL MG1 . . 4.580 4.623 4.544 4.701 0.121 4 0 "[ . 1 . 2]" 1
1039 1 54 ILE MG 1 57 MET ME . . 3.940 3.344 2.201 3.888 . 0 0 "[ . 1 . 2]" 1
1040 1 51 ASP HA 1 54 ILE MG . . 4.490 4.032 3.702 4.384 . 0 0 "[ . 1 . 2]" 1
1041 1 54 ILE MG 1 55 LYS H . . 4.050 3.250 2.939 3.506 . 0 0 "[ . 1 . 2]" 1
1042 1 72 ALA MB 1 76 ILE MG . . 4.870 4.056 3.907 4.274 . 0 0 "[ . 1 . 2]" 1
1043 1 76 ILE MG 1 77 LEU HB3 . . 5.260 4.364 4.004 4.560 . 0 0 "[ . 1 . 2]" 1
1044 1 57 MET ME 1 76 ILE MG . . 3.750 2.859 2.421 3.781 0.031 13 0 "[ . 1 . 2]" 1
1045 1 57 MET HG2 1 76 ILE MG . . 5.500 3.897 2.447 5.297 . 0 0 "[ . 1 . 2]" 1
1046 1 57 MET HG3 1 76 ILE MG . . 5.500 4.376 2.757 5.513 0.013 9 0 "[ . 1 . 2]" 1
1047 1 76 ILE MG 1 77 LEU HA . . 4.230 3.091 2.970 3.230 . 0 0 "[ . 1 . 2]" 1
1048 1 73 PHE HA 1 76 ILE MG . . 4.060 2.141 1.917 2.368 . 0 0 "[ . 1 . 2]" 1
1049 1 76 ILE MG 1 79 ASN H . . 5.290 5.217 5.067 5.312 0.022 1 0 "[ . 1 . 2]" 1
1050 1 28 GLU HG2 1 29 GLU H . . 5.250 3.373 2.818 4.339 . 0 0 "[ . 1 . 2]" 1
1051 1 28 GLU HG3 1 29 GLU H . . 5.250 3.733 2.494 5.018 . 0 0 "[ . 1 . 2]" 1
1052 1 40 ASP HA 1 43 GLU HG2 . . 4.000 3.357 2.423 4.197 0.197 9 0 "[ . 1 . 2]" 1
1053 1 40 ASP HA 1 43 GLU HG3 . . 3.960 2.722 2.257 3.262 . 0 0 "[ . 1 . 2]" 1
1054 1 43 GLU HG3 1 44 GLU H . . 4.220 4.243 3.901 4.555 0.335 5 0 "[ . 1 . 2]" 1
1055 1 28 GLU HG2 1 31 ILE MD . . 4.660 4.564 3.598 4.840 0.180 20 0 "[ . 1 . 2]" 1
1056 1 28 GLU HG3 1 31 ILE MD . . 4.660 4.359 2.453 4.847 0.187 18 0 "[ . 1 . 2]" 1
1057 1 48 GLU HG3 1 49 LYS H . . 4.010 2.147 1.730 2.542 . 0 0 "[ . 1 . 2]" 1
1058 1 48 GLU HG2 1 49 LYS H . . 4.010 2.743 2.421 3.957 . 0 0 "[ . 1 . 2]" 1
1059 1 7 VAL MG1 1 8 GLU HG2 . . 4.620 2.890 1.830 4.135 . 0 0 "[ . 1 . 2]" 1
1060 1 23 ILE MG 1 25 ASP H . . 3.530 2.543 2.047 3.586 0.056 19 0 "[ . 1 . 2]" 1
1061 1 23 ILE MG 1 24 SER H . . 3.930 2.810 1.438 3.609 . 0 0 "[ . 1 . 2]" 1
1062 1 31 ILE MG 1 76 ILE MG . . 4.070 3.828 3.484 3.999 . 0 0 "[ . 1 . 2]" 1
1063 1 31 ILE MG 1 76 ILE MD . . 3.070 2.084 1.892 2.414 . 0 0 "[ . 1 . 2]" 1
1064 1 31 ILE MG 1 76 ILE HB . . 3.800 2.574 2.209 2.756 . 0 0 "[ . 1 . 2]" 1
1065 1 31 ILE MG 1 32 LEU HA . . 4.270 3.619 3.395 3.754 . 0 0 "[ . 1 . 2]" 1
1066 1 39 THR MG 1 42 ILE MG . . 3.950 3.512 3.133 3.871 . 0 0 "[ . 1 . 2]" 1
1067 1 42 ILE MG 1 84 LEU QB . . 5.070 5.081 4.500 5.310 0.240 18 0 "[ . 1 . 2]" 1
1068 1 42 ILE MG 1 43 GLU HG3 . . 4.470 4.160 3.432 4.617 0.147 8 0 "[ . 1 . 2]" 1
1069 1 42 ILE MG 1 43 GLU HA . . 3.630 3.159 3.040 3.321 . 0 0 "[ . 1 . 2]" 1
1070 1 23 ILE MG 1 26 PRO HG3 . . 3.740 3.573 2.299 4.129 0.389 15 0 "[ . 1 . 2]" 1
1071 1 77 LEU HB3 1 81 GLN HG3 . . 4.570 4.193 3.802 4.666 0.096 2 0 "[ . 1 . 2]" 1
1072 1 77 LEU HB3 1 81 GLN HG2 . . 4.570 3.747 3.323 4.385 . 0 0 "[ . 1 . 2]" 1
1073 1 14 THR MG 1 17 ARG HB2 . . 4.470 4.490 4.308 4.597 0.127 6 0 "[ . 1 . 2]" 1
1074 1 21 THR MG 1 60 LEU MD1 . . 4.280 3.686 3.197 4.279 . 0 0 "[ . 1 . 2]" 1
1075 1 17 ARG QG 1 21 THR MG . . 3.960 3.286 2.871 3.994 0.034 19 0 "[ . 1 . 2]" 1
1076 1 21 THR MG 1 22 THR H . . 4.380 4.206 4.079 4.348 . 0 0 "[ . 1 . 2]" 1
1077 1 21 THR H 1 22 THR MG . . 4.550 3.943 3.609 4.195 . 0 0 "[ . 1 . 2]" 1
1078 1 39 THR MG 1 83 VAL HB . . 4.110 4.164 3.978 4.266 0.156 3 0 "[ . 1 . 2]" 1
1079 1 39 THR MG 1 43 GLU HG2 . . 4.620 3.241 2.842 3.616 . 0 0 "[ . 1 . 2]" 1
1080 1 86 GLN HB3 1 87 THR MG . . 4.990 3.881 3.752 3.992 . 0 0 "[ . 1 . 2]" 1
1081 1 86 GLN HE21 1 87 THR MG . . 4.250 4.328 4.146 4.470 0.220 4 0 "[ . 1 . 2]" 1
1082 1 87 THR MG 1 88 TYR QD . . 3.950 2.405 1.664 4.021 0.071 1 0 "[ . 1 . 2]" 1
1083 1 81 GLN HB2 1 91 THR MG . . 3.600 3.448 3.300 3.603 0.003 9 0 "[ . 1 . 2]" 1
1084 1 81 GLN HE21 1 91 THR MG . . 4.420 4.000 2.641 4.594 0.174 10 0 "[ . 1 . 2]" 1
1085 1 81 GLN HE22 1 91 THR MG . . 4.420 4.135 3.056 4.469 0.049 12 0 "[ . 1 . 2]" 1
1086 1 91 THR MG 1 92 LEU H . . 4.210 3.697 3.133 3.955 . 0 0 "[ . 1 . 2]" 1
1087 1 84 LEU QB 1 91 THR MG . . 4.430 3.637 2.767 4.393 . 0 0 "[ . 1 . 2]" 1
1088 1 3 LEU H 1 3 LEU QB . . 3.520 2.528 2.198 3.362 . 0 0 "[ . 1 . 2]" 1
1089 1 3 LEU HA 1 3 LEU QD . . 3.930 2.241 1.920 3.445 . 0 0 "[ . 1 . 2]" 1
1090 1 5 GLY H 1 15 LEU QD . . 5.000 4.250 3.796 4.520 . 0 0 "[ . 1 . 2]" 1
1091 1 6 ALA H 1 12 VAL QG . . 4.040 4.016 3.748 4.155 0.115 12 0 "[ . 1 . 2]" 1
1092 1 6 ALA HA 1 11 ASP QB . . 4.490 3.496 2.848 3.997 . 0 0 "[ . 1 . 2]" 1
1093 1 6 ALA HA 1 12 VAL QG . . 4.230 3.948 3.747 4.091 . 0 0 "[ . 1 . 2]" 1
1094 1 6 ALA HA 1 15 LEU QD . . 4.260 3.182 2.807 3.733 . 0 0 "[ . 1 . 2]" 1
1095 1 6 ALA MB 1 11 ASP QB . . 3.370 2.543 1.999 2.837 . 0 0 "[ . 1 . 2]" 1
1096 1 6 ALA MB 1 12 VAL QG . . 2.960 2.037 1.900 2.161 . 0 0 "[ . 1 . 2]" 1
1097 1 6 ALA MB 1 15 LEU QB . . 4.610 2.451 2.180 2.862 . 0 0 "[ . 1 . 2]" 1
1098 1 7 VAL H 1 8 GLU QG . . 4.000 3.628 3.103 4.040 0.040 1 0 "[ . 1 . 2]" 1
1099 1 7 VAL H 1 11 ASP QB . . 5.340 3.533 2.835 4.926 . 0 0 "[ . 1 . 2]" 1
1100 1 7 VAL H 1 12 VAL QG . . 3.980 3.927 2.939 4.218 0.238 19 0 "[ . 1 . 2]" 1
1101 1 7 VAL HA 1 12 VAL QG . . 4.150 3.535 2.756 4.144 . 0 0 "[ . 1 . 2]" 1
1102 1 7 VAL QG 1 8 GLU QG . . 3.910 2.222 1.724 3.329 . 0 0 "[ . 1 . 2]" 1
1103 1 8 GLU HA 1 8 GLU QG . . 3.380 2.669 2.422 3.082 . 0 0 "[ . 1 . 2]" 1
1104 1 8 GLU HA 1 12 VAL QG . . 5.030 4.342 4.083 4.572 . 0 0 "[ . 1 . 2]" 1
1105 1 10 ASN H 1 10 ASN QB . . 3.330 2.425 2.268 2.687 . 0 0 "[ . 1 . 2]" 1
1106 1 10 ASN HA 1 10 ASN QD . . 4.320 3.977 2.673 4.364 0.044 16 0 "[ . 1 . 2]" 1
1107 1 10 ASN HA 1 13 LYS QB . . 3.490 3.068 2.371 3.613 0.123 16 0 "[ . 1 . 2]" 1
1108 1 10 ASN HA 1 13 LYS QG . . 4.840 3.837 2.558 4.947 0.107 19 0 "[ . 1 . 2]" 1
1109 1 10 ASN QB 1 11 ASP H . . 4.410 3.143 2.789 3.628 . 0 0 "[ . 1 . 2]" 1
1110 1 11 ASP H 1 11 ASP QB . . 3.360 2.287 2.201 2.407 . 0 0 "[ . 1 . 2]" 1
1111 1 12 VAL H 1 12 VAL QG . . 3.230 1.985 1.948 2.037 . 0 0 "[ . 1 . 2]" 1
1112 1 12 VAL HA 1 12 VAL QG . . 2.960 2.374 2.336 2.419 . 0 0 "[ . 1 . 2]" 1
1113 1 12 VAL HA 1 15 LEU QB . . 4.630 2.881 2.742 2.989 . 0 0 "[ . 1 . 2]" 1
1114 1 12 VAL QG 1 13 LYS H . . 4.260 2.287 2.090 2.405 . 0 0 "[ . 1 . 2]" 1
1115 1 12 VAL QG 1 13 LYS HA . . 4.060 3.055 2.897 3.252 . 0 0 "[ . 1 . 2]" 1
1116 1 12 VAL QG 1 13 LYS QB . . 3.830 3.256 2.544 3.829 . 0 0 "[ . 1 . 2]" 1
1117 1 12 VAL QG 1 13 LYS QG . . 3.610 3.145 2.197 4.093 0.483 9 0 "[ . 1 . 2]" 1
1118 1 12 VAL QG 1 16 LEU H . . 5.210 4.654 4.587 4.698 . 0 0 "[ . 1 . 2]" 1
1119 1 12 VAL QG 1 16 LEU MD2 . . 5.440 4.186 3.908 4.311 . 0 0 "[ . 1 . 2]" 1
1120 1 13 LYS H 1 13 LYS QB . . 3.550 2.327 2.116 2.650 . 0 0 "[ . 1 . 2]" 1
1121 1 13 LYS QB 1 13 LYS QE . . 4.020 2.280 1.856 2.896 . 0 0 "[ . 1 . 2]" 1
1122 1 13 LYS QB 1 14 THR H . . 3.720 2.292 2.124 2.553 . 0 0 "[ . 1 . 2]" 1
1123 1 14 THR H 1 15 LEU QB . . 5.300 4.392 4.312 4.501 . 0 0 "[ . 1 . 2]" 1
1124 1 15 LEU QB 1 16 LEU HA . . 5.280 4.175 4.044 4.277 . 0 0 "[ . 1 . 2]" 1
1125 1 15 LEU QB 1 16 LEU MD2 . . 4.310 2.906 2.685 3.073 . 0 0 "[ . 1 . 2]" 1
1126 1 15 LEU QB 1 16 LEU HG . . 5.120 3.630 3.282 3.861 . 0 0 "[ . 1 . 2]" 1
1127 1 15 LEU QD 1 16 LEU H . . 4.150 3.459 3.253 3.568 . 0 0 "[ . 1 . 2]" 1
1128 1 15 LEU QD 1 16 LEU HA . . 3.790 3.217 3.004 3.408 . 0 0 "[ . 1 . 2]" 1
1129 1 15 LEU QD 1 16 LEU MD2 . . 3.190 2.182 1.946 2.368 . 0 0 "[ . 1 . 2]" 1
1130 1 15 LEU QD 1 16 LEU HG . . 3.920 3.932 3.572 4.061 0.141 11 0 "[ . 1 . 2]" 1
1131 1 15 LEU QD 1 19 TRP QB . . 3.650 2.801 2.437 3.128 . 0 0 "[ . 1 . 2]" 1
1132 1 16 LEU HA 1 19 TRP QB . . 4.530 1.918 1.680 2.287 . 0 0 "[ . 1 . 2]" 1
1133 1 16 LEU HA 1 34 VAL QG . . 5.440 5.361 4.758 5.566 0.126 19 0 "[ . 1 . 2]" 1
1134 1 16 LEU MD2 1 19 TRP QB . . 4.470 2.895 2.638 3.231 . 0 0 "[ . 1 . 2]" 1
1135 1 16 LEU HG 1 34 VAL QG . . 4.840 4.665 4.409 4.889 0.049 6 0 "[ . 1 . 2]" 1
1136 1 16 LEU MD1 1 34 VAL QG . . 3.490 2.346 2.004 2.526 . 0 0 "[ . 1 . 2]" 1
1137 1 17 ARG HA 1 60 LEU QB . . 5.210 4.073 3.775 4.305 . 0 0 "[ . 1 . 2]" 1
1138 1 19 TRP H 1 19 TRP QB . . 3.430 2.162 2.110 2.201 . 0 0 "[ . 1 . 2]" 1
1139 1 19 TRP QB 1 22 THR MG . . 4.690 4.619 3.988 4.957 0.267 19 0 "[ . 1 . 2]" 1
1140 1 20 ILE MG 1 60 LEU QB . . 3.850 1.928 1.585 2.186 . 0 0 "[ . 1 . 2]" 1
1141 1 20 ILE MG 1 61 MET QG . . 5.340 4.309 4.102 5.523 0.183 10 0 "[ . 1 . 2]" 1
1142 1 20 ILE MD 1 57 MET QB . . 4.700 4.252 2.597 4.858 0.158 8 0 "[ . 1 . 2]" 1
1143 1 20 ILE MD 1 60 LEU QB . . 3.440 1.910 1.686 2.201 . 0 0 "[ . 1 . 2]" 1
1144 1 20 ILE MD 1 61 MET QG . . 3.410 1.987 1.522 2.898 . 0 0 "[ . 1 . 2]" 1
1145 1 21 THR MG 1 60 LEU QB . . 4.420 3.383 2.359 4.095 . 0 0 "[ . 1 . 2]" 1
1146 1 23 ILE MG 1 25 ASP QB . . 4.120 3.319 2.221 4.233 0.113 18 0 "[ . 1 . 2]" 1
1147 1 24 SER H 1 25 ASP QB . . 5.340 4.577 3.618 5.073 . 0 0 "[ . 1 . 2]" 1
1148 1 24 SER QB 1 25 ASP QB . . 4.740 4.258 3.333 5.052 0.312 13 0 "[ . 1 . 2]" 1
1149 1 25 ASP HA 1 26 PRO QD . . 3.460 1.926 1.552 2.323 . 0 0 "[ . 1 . 2]" 1
1150 1 25 ASP QB 1 26 PRO QD . . 4.210 3.661 2.860 3.959 . 0 0 "[ . 1 . 2]" 1
1151 1 27 MET HB3 1 28 GLU QB . . 5.340 4.568 3.701 5.686 0.346 9 0 "[ . 1 . 2]" 1
1152 1 27 MET HB3 1 28 GLU QG . . 5.340 4.170 3.011 5.536 0.196 6 0 "[ . 1 . 2]" 1
1153 1 28 GLU H 1 28 GLU QG . . 3.930 2.697 2.012 3.979 0.049 12 0 "[ . 1 . 2]" 1
1154 1 28 GLU HA 1 28 GLU QG . . 3.630 3.281 2.429 3.557 . 0 0 "[ . 1 . 2]" 1
1155 1 28 GLU QB 1 31 ILE H . . 5.150 4.518 4.192 5.111 . 0 0 "[ . 1 . 2]" 1
1156 1 28 GLU QG 1 29 GLU H . . 4.490 3.017 2.432 4.010 . 0 0 "[ . 1 . 2]" 1
1157 1 28 GLU QG 1 29 GLU HA . . 4.240 3.713 3.359 4.426 0.186 16 0 "[ . 1 . 2]" 1
1158 1 28 GLU QG 1 31 ILE MD . . 3.960 3.938 2.414 4.213 0.253 10 0 "[ . 1 . 2]" 1
1159 1 29 GLU H 1 29 GLU QB . . 3.310 2.513 2.107 2.652 . 0 0 "[ . 1 . 2]" 1
1160 1 29 GLU H 1 29 GLU QG . . 3.530 2.234 1.900 3.918 0.388 13 0 "[ . 1 . 2]" 1
1161 1 29 GLU HA 1 29 GLU QG . . 3.400 2.762 2.381 3.436 0.036 12 0 "[ . 1 . 2]" 1
1162 1 29 GLU QB 1 30 ASP H . . 4.000 2.482 2.177 3.454 . 0 0 "[ . 1 . 2]" 1
1163 1 29 GLU QG 1 30 ASP H . . 3.970 3.841 2.006 4.108 0.138 11 0 "[ . 1 . 2]" 1
1164 1 31 ILE HA 1 34 VAL QG . . 3.950 2.564 2.289 2.985 . 0 0 "[ . 1 . 2]" 1
1165 1 31 ILE MG 1 75 PHE QB . . 4.470 2.757 2.166 3.417 . 0 0 "[ . 1 . 2]" 1
1166 1 32 LEU H 1 33 GLN QB . . 5.340 4.874 4.557 4.968 . 0 0 "[ . 1 . 2]" 1
1167 1 32 LEU H 1 33 GLN QG . . 5.340 4.316 4.113 4.880 . 0 0 "[ . 1 . 2]" 1
1168 1 32 LEU HA 1 35 VAL QG . . 3.390 2.200 2.096 2.273 . 0 0 "[ . 1 . 2]" 1
1169 1 32 LEU HB3 1 35 VAL QG . . 4.630 3.954 3.890 4.066 . 0 0 "[ . 1 . 2]" 1
1170 1 32 LEU HB3 1 36 LYS QD . . 4.640 4.430 2.893 4.731 0.091 11 0 "[ . 1 . 2]" 1
1171 1 32 LEU HG 1 35 VAL QG . . 5.320 4.327 4.183 4.523 . 0 0 "[ . 1 . 2]" 1
1172 1 32 LEU MD1 1 35 VAL QG . . 3.150 2.000 1.906 2.163 . 0 0 "[ . 1 . 2]" 1
1173 1 32 LEU MD2 1 35 VAL QG . . 3.260 2.972 2.460 3.267 0.007 3 0 "[ . 1 . 2]" 1
1174 1 33 GLN H 1 33 GLN QB . . 3.530 2.540 2.279 2.658 . 0 0 "[ . 1 . 2]" 1
1175 1 33 GLN H 1 33 GLN QG . . 3.330 2.356 2.144 2.802 . 0 0 "[ . 1 . 2]" 1
1176 1 33 GLN H 1 33 GLN QE . . 5.340 2.868 2.444 4.330 . 0 0 "[ . 1 . 2]" 1
1177 1 33 GLN HA 1 33 GLN QG . . 3.430 3.106 2.370 3.200 . 0 0 "[ . 1 . 2]" 1
1178 1 33 GLN HA 1 34 VAL QG . . 4.960 4.625 4.485 4.700 . 0 0 "[ . 1 . 2]" 1
1179 1 33 GLN HA 1 36 LYS QD . . 5.050 4.767 3.677 5.174 0.124 11 0 "[ . 1 . 2]" 1
1180 1 33 GLN QB 1 34 VAL H . . 4.010 2.533 2.368 2.708 . 0 0 "[ . 1 . 2]" 1
1181 1 33 GLN QB 1 34 VAL QG . . 3.540 2.998 2.832 3.247 . 0 0 "[ . 1 . 2]" 1
1182 1 34 VAL H 1 34 VAL QG . . 3.280 1.867 1.831 1.909 . 0 0 "[ . 1 . 2]" 1
1183 1 34 VAL H 1 35 VAL QG . . 4.370 4.013 3.910 4.174 . 0 0 "[ . 1 . 2]" 1
1184 1 34 VAL QG 1 35 VAL H . . 3.780 3.089 2.653 3.279 . 0 0 "[ . 1 . 2]" 1
1185 1 34 VAL QG 1 35 VAL HA . . 4.260 4.329 4.012 4.428 0.168 5 0 "[ . 1 . 2]" 1
1186 1 34 VAL QG 1 37 TYR QB . . 4.450 3.026 2.773 3.402 . 0 0 "[ . 1 . 2]" 1
1187 1 34 VAL QG 1 37 TYR QD . . 4.100 3.355 2.603 3.924 . 0 0 "[ . 1 . 2]" 1
1188 1 34 VAL QG 1 38 CYS H . . 4.800 4.263 4.027 4.695 . 0 0 "[ . 1 . 2]" 1
1189 1 34 VAL QG 1 38 CYS QB . . 5.220 4.717 3.923 5.319 0.099 18 0 "[ . 1 . 2]" 1
1190 1 34 VAL QG 1 57 MET ME . . 3.500 2.843 1.921 3.449 . 0 0 "[ . 1 . 2]" 1
1191 1 35 VAL H 1 35 VAL QG . . 3.280 2.227 2.111 2.368 . 0 0 "[ . 1 . 2]" 1
1192 1 35 VAL H 1 36 LYS QB . . 5.180 4.869 4.475 5.079 . 0 0 "[ . 1 . 2]" 1
1193 1 35 VAL HA 1 38 CYS QB . . 3.830 2.710 2.403 2.925 . 0 0 "[ . 1 . 2]" 1
1194 1 35 VAL HA 1 79 ASN QB . . 5.080 3.816 3.606 4.111 . 0 0 "[ . 1 . 2]" 1
1195 1 35 VAL QG 1 36 LYS H . . 3.760 3.189 2.956 3.356 . 0 0 "[ . 1 . 2]" 1
1196 1 35 VAL QG 1 36 LYS HA . . 3.620 3.353 3.153 3.546 . 0 0 "[ . 1 . 2]" 1
1197 1 35 VAL QG 1 36 LYS QE . . 4.910 3.669 3.200 4.613 . 0 0 "[ . 1 . 2]" 1
1198 1 35 VAL QG 1 38 CYS H . . 4.950 4.397 4.276 4.572 . 0 0 "[ . 1 . 2]" 1
1199 1 35 VAL QG 1 39 THR H . . 4.320 4.055 3.899 4.185 . 0 0 "[ . 1 . 2]" 1
1200 1 35 VAL QG 1 76 ILE HB . . 5.240 4.076 3.342 4.364 . 0 0 "[ . 1 . 2]" 1
1201 1 35 VAL QG 1 76 ILE QG . . 3.910 3.291 1.909 3.538 . 0 0 "[ . 1 . 2]" 1
1202 1 35 VAL QG 1 79 ASN H . . 4.210 4.028 3.762 4.212 0.002 16 0 "[ . 1 . 2]" 1
1203 1 35 VAL QG 1 79 ASN QB . . 3.020 1.851 1.764 2.006 . 0 0 "[ . 1 . 2]" 1
1204 1 35 VAL QG 1 79 ASN HD21 . . 4.750 4.093 3.890 4.280 . 0 0 "[ . 1 . 2]" 1
1205 1 35 VAL QG 1 80 VAL H . . 4.790 3.815 3.413 4.194 . 0 0 "[ . 1 . 2]" 1
1206 1 36 LYS H 1 36 LYS QB . . 3.430 2.536 2.187 2.701 . 0 0 "[ . 1 . 2]" 1
1207 1 36 LYS H 1 36 LYS QD . . 4.230 3.200 2.556 3.489 . 0 0 "[ . 1 . 2]" 1
1208 1 36 LYS QB 1 36 LYS QE . . 4.070 3.803 2.353 3.969 . 0 0 "[ . 1 . 2]" 1
1209 1 36 LYS QB 1 37 TYR HA . . 4.980 3.970 3.798 4.094 . 0 0 "[ . 1 . 2]" 1
1210 1 36 LYS QB 1 37 TYR QB . . 5.340 3.941 3.709 4.134 . 0 0 "[ . 1 . 2]" 1
1211 1 37 TYR HA 1 40 ASP QB . . 3.790 2.637 1.949 3.884 0.094 3 0 "[ . 1 . 2]" 1
1212 1 38 CYS H 1 38 CYS QB . . 3.660 2.440 2.284 2.592 . 0 0 "[ . 1 . 2]" 1
1213 1 38 CYS HA 1 47 LEU QD . . 3.570 3.671 3.328 4.141 0.571 15 1 "[ . 1 + 2]" 1
1214 1 38 CYS HA 1 50 LEU QD . . 3.670 2.173 1.854 2.605 . 0 0 "[ . 1 . 2]" 1
1215 1 38 CYS QB 1 39 THR H . . 3.730 2.487 2.375 2.635 . 0 0 "[ . 1 . 2]" 1
1216 1 38 CYS QB 1 50 LEU QD . . 3.290 2.327 1.884 2.611 . 0 0 "[ . 1 . 2]" 1
1217 1 38 CYS QB 1 80 VAL MG1 . . 4.280 2.984 2.183 3.712 . 0 0 "[ . 1 . 2]" 1
1218 1 38 CYS QB 1 80 VAL MG2 . . 3.190 2.205 1.948 2.455 . 0 0 "[ . 1 . 2]" 1
1219 1 39 THR HA 1 83 VAL QG . . 4.760 2.360 2.032 2.724 . 0 0 "[ . 1 . 2]" 1
1220 1 39 THR HB 1 83 VAL QG . . 4.810 3.763 3.571 3.964 . 0 0 "[ . 1 . 2]" 1
1221 1 39 THR MG 1 83 VAL QG . . 3.750 1.888 1.770 1.949 . 0 0 "[ . 1 . 2]" 1
1222 1 40 ASP H 1 40 ASP QB . . 3.190 2.339 2.196 2.450 . 0 0 "[ . 1 . 2]" 1
1223 1 42 ILE H 1 47 LEU QD . . 3.500 3.086 2.718 3.479 . 0 0 "[ . 1 . 2]" 1
1224 1 42 ILE H 1 50 LEU QD . . 5.440 4.583 3.545 5.279 . 0 0 "[ . 1 . 2]" 1
1225 1 42 ILE HA 1 47 LEU QD . . 3.280 2.154 1.857 2.370 . 0 0 "[ . 1 . 2]" 1
1226 1 42 ILE HB 1 47 LEU QD . . 4.080 3.679 3.420 3.829 . 0 0 "[ . 1 . 2]" 1
1227 1 42 ILE MG 1 87 THR MG . . 3.260 1.936 1.757 2.161 . 0 0 "[ . 1 . 2]" 1
1228 1 43 GLU HG3 1 44 GLU QG . . 4.130 4.317 4.130 4.392 0.262 3 0 "[ . 1 . 2]" 1
1229 1 44 GLU H 1 44 GLU QG . . 3.660 2.330 2.159 2.521 . 0 0 "[ . 1 . 2]" 1
1230 1 44 GLU HA 1 44 GLU QG . . 3.070 2.520 2.409 3.090 0.020 14 0 "[ . 1 . 2]" 1
1231 1 45 LYS H 1 45 LYS QG . . 3.750 2.986 2.879 3.257 . 0 0 "[ . 1 . 2]" 1
1232 1 45 LYS H 1 45 LYS QD . . 4.120 2.804 2.311 3.309 . 0 0 "[ . 1 . 2]" 1
1233 1 45 LYS H 1 47 LEU MD2 . . 4.500 4.537 4.114 4.630 0.130 15 0 "[ . 1 . 2]" 1
1234 1 45 LYS HA 1 45 LYS QG . . 3.300 3.031 2.446 3.265 . 0 0 "[ . 1 . 2]" 1
1235 1 45 LYS HA 1 45 LYS QD . . 3.900 2.198 2.002 3.217 . 0 0 "[ . 1 . 2]" 1
1236 1 46 ASP H 1 46 ASP QB . . 3.230 2.425 2.309 2.522 . 0 0 "[ . 1 . 2]" 1
1237 1 46 ASP H 1 47 LEU QD . . 4.270 4.028 3.684 4.275 0.005 11 0 "[ . 1 . 2]" 1
1238 1 47 LEU H 1 47 LEU QD . . 3.800 3.453 3.361 3.539 . 0 0 "[ . 1 . 2]" 1
1239 1 47 LEU HA 1 47 LEU QD . . 2.950 1.890 1.836 1.939 . 0 0 "[ . 1 . 2]" 1
1240 1 47 LEU HA 1 50 LEU QB . . 3.250 2.119 1.767 2.545 . 0 0 "[ . 1 . 2]" 1
1241 1 47 LEU HA 1 50 LEU QD . . 3.770 3.571 2.853 3.965 0.195 17 0 "[ . 1 . 2]" 1
1242 1 47 LEU HB2 1 47 LEU QD . . 2.730 2.386 2.357 2.425 . 0 0 "[ . 1 . 2]" 1
1243 1 47 LEU HB3 1 47 LEU QD . . 3.010 2.334 2.309 2.357 . 0 0 "[ . 1 . 2]" 1
1244 1 47 LEU QD 1 48 GLU HA . . 4.860 4.395 4.160 4.628 . 0 0 "[ . 1 . 2]" 1
1245 1 47 LEU QD 1 50 LEU H . . 3.840 3.467 3.209 3.710 . 0 0 "[ . 1 . 2]" 1
1246 1 47 LEU QD 1 50 LEU QB . . 3.300 1.803 1.692 1.981 . 0 0 "[ . 1 . 2]" 1
1247 1 47 LEU QD 1 50 LEU QD . . 2.630 1.873 1.774 2.486 . 0 0 "[ . 1 . 2]" 1
1248 1 47 LEU QD 1 51 ASP H . . 4.570 2.836 2.500 3.161 . 0 0 "[ . 1 . 2]" 1
1249 1 48 GLU HA 1 48 GLU QG . . 3.460 3.403 3.382 3.467 0.007 20 0 "[ . 1 . 2]" 1
1250 1 48 GLU QG 1 49 LYS HA . . 4.170 3.633 3.407 4.405 0.235 20 0 "[ . 1 . 2]" 1
1251 1 48 GLU QG 1 49 LYS QB . . 4.460 3.092 2.322 3.948 . 0 0 "[ . 1 . 2]" 1
1252 1 48 GLU QG 1 49 LYS QG . . 3.870 3.087 2.136 4.028 0.158 10 0 "[ . 1 . 2]" 1
1253 1 49 LYS H 1 49 LYS QB . . 2.820 2.223 2.121 2.327 . 0 0 "[ . 1 . 2]" 1
1254 1 49 LYS H 1 49 LYS QG . . 3.830 3.184 2.491 3.954 0.124 1 0 "[ . 1 . 2]" 1
1255 1 49 LYS H 1 49 LYS QE . . 5.340 4.602 3.847 5.639 0.299 16 0 "[ . 1 . 2]" 1
1256 1 49 LYS H 1 52 LEU QD . . 5.400 5.269 5.059 5.516 0.116 16 0 "[ . 1 . 2]" 1
1257 1 49 LYS HA 1 49 LYS QG . . 3.140 2.637 2.382 2.982 . 0 0 "[ . 1 . 2]" 1
1258 1 49 LYS HA 1 49 LYS QD . . 3.820 2.656 1.798 3.491 . 0 0 "[ . 1 . 2]" 1
1259 1 49 LYS HA 1 49 LYS QE . . 4.710 3.011 1.702 4.037 . 0 0 "[ . 1 . 2]" 1
1260 1 49 LYS HA 1 52 LEU MD2 . . 4.630 3.848 3.292 4.184 . 0 0 "[ . 1 . 2]" 1
1261 1 49 LYS QB 1 49 LYS QD . . 3.300 2.713 2.278 2.923 . 0 0 "[ . 1 . 2]" 1
1262 1 49 LYS QB 1 49 LYS QE . . 4.120 2.442 2.035 3.915 . 0 0 "[ . 1 . 2]" 1
1263 1 49 LYS QB 1 50 LEU H . . 3.500 2.780 2.487 3.023 . 0 0 "[ . 1 . 2]" 1
1264 1 49 LYS QB 1 51 ASP H . . 5.130 4.843 4.666 5.018 . 0 0 "[ . 1 . 2]" 1
1265 1 49 LYS QB 1 52 LEU QD . . 4.220 3.977 3.795 4.236 0.016 5 0 "[ . 1 . 2]" 1
1266 1 49 LYS QG 1 50 LEU H . . 5.340 4.474 4.173 4.747 . 0 0 "[ . 1 . 2]" 1
1267 1 49 LYS QD 1 52 LEU QD . . 3.380 2.763 1.947 3.568 0.188 18 0 "[ . 1 . 2]" 1
1268 1 49 LYS QE 1 52 LEU H . . 5.340 5.261 4.684 5.640 0.300 16 0 "[ . 1 . 2]" 1
1269 1 49 LYS QE 1 52 LEU QD . . 4.180 2.754 1.719 3.743 . 0 0 "[ . 1 . 2]" 1
1270 1 50 LEU H 1 50 LEU QB . . 3.240 2.247 2.173 2.346 . 0 0 "[ . 1 . 2]" 1
1271 1 50 LEU H 1 50 LEU QD . . 4.150 3.695 2.552 3.853 . 0 0 "[ . 1 . 2]" 1
1272 1 52 LEU H 1 52 LEU QD . . 3.440 3.680 3.623 3.731 0.291 9 0 "[ . 1 . 2]" 1
1273 1 50 LEU HA 1 50 LEU QD . . 3.230 2.034 1.835 2.128 . 0 0 "[ . 1 . 2]" 1
1274 1 50 LEU QB 1 51 ASP H . . 4.130 2.652 2.473 2.904 . 0 0 "[ . 1 . 2]" 1
1275 1 50 LEU QB 1 52 LEU H . . 5.340 4.809 4.652 4.942 . 0 0 "[ . 1 . 2]" 1
1276 1 50 LEU QD 1 51 ASP H . . 4.180 3.506 3.192 4.054 . 0 0 "[ . 1 . 2]" 1
1277 1 50 LEU QD 1 51 ASP QB . . 5.060 4.234 3.790 5.084 0.024 3 0 "[ . 1 . 2]" 1
1278 1 50 LEU QD 1 53 VAL H . . 4.440 3.934 3.745 4.224 . 0 0 "[ . 1 . 2]" 1
1279 1 50 LEU QD 1 53 VAL HB . . 4.040 2.359 1.976 2.739 . 0 0 "[ . 1 . 2]" 1
1280 1 50 LEU QD 1 54 ILE H . . 4.850 3.400 3.220 3.932 . 0 0 "[ . 1 . 2]" 1
1281 1 50 LEU QD 1 54 ILE HG12 . . 3.420 2.136 1.966 2.871 . 0 0 "[ . 1 . 2]" 1
1282 1 50 LEU QD 1 57 MET ME . . 3.720 3.422 2.890 3.889 0.169 6 0 "[ . 1 . 2]" 1
1283 1 49 LYS HA 1 52 LEU QD . . 5.300 3.116 2.835 3.409 . 0 0 "[ . 1 . 2]" 1
1284 1 51 ASP HA 1 92 LEU QD . . 4.560 2.536 1.993 3.282 . 0 0 "[ . 1 . 2]" 1
1285 1 51 ASP QB 1 92 LEU QD . . 3.940 2.962 2.399 3.759 . 0 0 "[ . 1 . 2]" 1
1286 1 52 LEU HA 1 52 LEU QD . . 3.370 3.228 3.150 3.275 . 0 0 "[ . 1 . 2]" 1
1287 1 52 LEU QD 1 53 VAL HA . . 3.780 2.532 2.348 2.652 . 0 0 "[ . 1 . 2]" 1
1288 1 52 LEU QD 1 53 VAL HB . . 4.240 4.122 3.832 4.293 0.053 8 0 "[ . 1 . 2]" 1
1289 1 52 LEU QD 1 55 LYS H . . 5.440 5.091 4.850 5.355 . 0 0 "[ . 1 . 2]" 1
1290 1 54 ILE HA 1 57 MET QB . . 4.290 2.878 2.360 3.443 . 0 0 "[ . 1 . 2]" 1
1291 1 54 ILE HB 1 55 LYS QB . . 4.250 4.356 3.819 4.549 0.299 13 0 "[ . 1 . 2]" 1
1292 1 54 ILE HB 1 92 LEU QD . . 4.320 2.935 2.428 3.694 . 0 0 "[ . 1 . 2]" 1
1293 1 54 ILE MG 1 57 MET QB . . 4.990 4.303 3.668 5.093 0.103 20 0 "[ . 1 . 2]" 1
1294 1 54 ILE MG 1 77 LEU QD . . 3.010 2.234 1.897 2.753 . 0 0 "[ . 1 . 2]" 1
1295 1 54 ILE MG 1 92 LEU QD . . 3.620 2.411 1.729 3.571 . 0 0 "[ . 1 . 2]" 1
1296 1 54 ILE HG13 1 92 LEU QD . . 4.110 2.415 1.768 3.000 . 0 0 "[ . 1 . 2]" 1
1297 1 54 ILE MD 1 57 MET QG . . 5.340 4.579 4.421 4.797 . 0 0 "[ . 1 . 2]" 1
1298 1 55 LYS H 1 55 LYS QB . . 3.370 2.284 2.073 2.408 . 0 0 "[ . 1 . 2]" 1
1299 1 55 LYS H 1 55 LYS QG . . 3.370 2.697 2.189 3.908 0.538 20 1 "[ . 1 . +]" 1
1300 1 55 LYS H 1 92 LEU QD . . 5.440 4.558 4.117 5.236 . 0 0 "[ . 1 . 2]" 1
1301 1 55 LYS H 1 94 VAL QG . . 5.080 3.420 2.904 4.534 . 0 0 "[ . 1 . 2]" 1
1302 1 55 LYS HA 1 55 LYS QG . . 3.000 2.386 2.246 2.671 . 0 0 "[ . 1 . 2]" 1
1303 1 55 LYS HA 1 94 VAL QG . . 4.190 2.808 2.178 4.104 . 0 0 "[ . 1 . 2]" 1
1304 1 55 LYS QB 1 56 TYR H . . 4.280 2.585 2.375 2.801 . 0 0 "[ . 1 . 2]" 1
1305 1 55 LYS QG 1 94 VAL QG . . 4.430 2.445 1.835 3.693 . 0 0 "[ . 1 . 2]" 1
1306 1 56 TYR QB 1 57 MET H . . 4.380 2.591 2.303 2.920 . 0 0 "[ . 1 . 2]" 1
1307 1 57 MET H 1 57 MET QB . . 3.470 2.287 2.105 2.498 . 0 0 "[ . 1 . 2]" 1
1308 1 57 MET H 1 57 MET QG . . 4.190 3.338 2.374 4.120 . 0 0 "[ . 1 . 2]" 1
1309 1 57 MET HA 1 57 MET QG . . 3.650 2.585 2.370 2.886 . 0 0 "[ . 1 . 2]" 1
1310 1 57 MET QB 1 57 MET ME . . 2.630 1.975 1.866 2.054 . 0 0 "[ . 1 . 2]" 1
1311 1 57 MET QB 1 61 MET ME . . 3.650 3.188 2.237 3.940 0.290 3 0 "[ . 1 . 2]" 1
1312 1 57 MET QB 1 76 ILE MG . . 4.280 3.577 2.537 4.354 0.074 3 0 "[ . 1 . 2]" 1
1313 1 57 MET ME 1 57 MET QG . . 3.440 2.518 2.419 2.691 . 0 0 "[ . 1 . 2]" 1
1314 1 57 MET QG 1 61 MET ME . . 3.610 2.561 1.817 3.590 . 0 0 "[ . 1 . 2]" 1
1315 1 58 LYS HA 1 61 MET QG . . 5.340 4.378 3.669 4.814 . 0 0 "[ . 1 . 2]" 1
1316 1 58 LYS HA 1 77 LEU QD . . 4.600 3.626 3.095 4.468 . 0 0 "[ . 1 . 2]" 1
1317 1 58 LYS QG 1 94 VAL QG . . 3.970 2.875 1.757 4.155 0.185 19 0 "[ . 1 . 2]" 1
1318 1 58 LYS QD 1 94 VAL QG . . 3.750 2.452 1.768 3.593 . 0 0 "[ . 1 . 2]" 1
1319 1 58 LYS QE 1 62 GLN QE . . 3.950 3.136 2.249 4.059 0.109 18 0 "[ . 1 . 2]" 1
1320 1 58 LYS QE 1 94 VAL QG . . 4.190 3.270 2.085 4.238 0.048 7 0 "[ . 1 . 2]" 1
1321 1 59 ARG H 1 59 ARG QG . . 3.860 3.964 3.832 4.001 0.141 12 0 "[ . 1 . 2]" 1
1322 1 59 ARG H 1 62 GLN QB . . 5.340 4.642 4.472 4.916 . 0 0 "[ . 1 . 2]" 1
1323 1 59 ARG HA 1 59 ARG QG . . 3.070 2.534 2.375 2.656 . 0 0 "[ . 1 . 2]" 1
1324 1 59 ARG HA 1 59 ARG QD . . 4.520 3.901 2.617 4.185 . 0 0 "[ . 1 . 2]" 1
1325 1 59 ARG HA 1 62 GLN QB . . 3.840 2.808 2.378 3.257 . 0 0 "[ . 1 . 2]" 1
1326 1 59 ARG QG 1 60 LEU H . . 4.460 3.703 3.285 4.545 0.085 9 0 "[ . 1 . 2]" 1
1327 1 59 ARG QD 1 60 LEU HA . . 5.120 4.628 2.449 5.162 0.042 20 0 "[ . 1 . 2]" 1
1328 1 59 ARG QD 1 60 LEU MD2 . . 4.350 3.871 2.446 4.413 0.063 10 0 "[ . 1 . 2]" 1
1329 1 60 LEU H 1 60 LEU QB . . 3.350 2.336 2.269 2.384 . 0 0 "[ . 1 . 2]" 1
1330 1 60 LEU QB 1 60 LEU MD2 . . 3.080 2.329 2.284 2.410 . 0 0 "[ . 1 . 2]" 1
1331 1 60 LEU QB 1 61 MET H . . 3.980 2.589 2.265 2.816 . 0 0 "[ . 1 . 2]" 1
1332 1 60 LEU QB 1 61 MET HA . . 4.790 3.966 3.712 4.140 . 0 0 "[ . 1 . 2]" 1
1333 1 60 LEU QB 1 63 GLN QB . . 5.050 4.325 3.934 5.147 0.097 20 0 "[ . 1 . 2]" 1
1334 1 61 MET H 1 61 MET QG . . 3.950 2.599 2.300 4.055 0.105 10 0 "[ . 1 . 2]" 1
1335 1 61 MET H 1 62 GLN QB . . 4.830 4.253 4.083 4.463 . 0 0 "[ . 1 . 2]" 1
1336 1 61 MET HA 1 61 MET QG . . 3.620 2.450 2.345 3.008 . 0 0 "[ . 1 . 2]" 1
1337 1 61 MET QB 1 73 PHE QB . . 4.520 2.068 1.622 2.565 . 0 0 "[ . 1 . 2]" 1
1338 1 61 MET ME 1 61 MET QG . . 3.210 2.261 2.223 2.429 . 0 0 "[ . 1 . 2]" 1
1339 1 61 MET QG 1 72 ALA MB . . 4.290 3.306 2.534 4.508 0.218 17 0 "[ . 1 . 2]" 1
1340 1 61 MET QG 1 73 PHE QB . . 4.870 3.475 2.294 4.093 . 0 0 "[ . 1 . 2]" 1
1341 1 61 MET QG 1 76 ILE MG . . 4.550 4.054 2.783 4.431 . 0 0 "[ . 1 . 2]" 1
1342 1 61 MET ME 1 73 PHE QB . . 4.440 4.215 3.910 4.567 0.127 15 0 "[ . 1 . 2]" 1
1343 1 62 GLN H 1 62 GLN QB . . 3.080 2.217 2.091 2.300 . 0 0 "[ . 1 . 2]" 1
1344 1 62 GLN H 1 62 GLN QE . . 5.200 4.834 3.917 5.513 0.313 14 0 "[ . 1 . 2]" 1
1345 1 62 GLN H 1 73 PHE QB . . 4.530 4.553 4.316 4.701 0.171 17 0 "[ . 1 . 2]" 1
1346 1 62 GLN HA 1 62 GLN QE . . 5.340 4.248 3.626 4.881 . 0 0 "[ . 1 . 2]" 1
1347 1 62 GLN QB 1 62 GLN QE . . 3.980 2.538 1.801 3.355 . 0 0 "[ . 1 . 2]" 1
1348 1 63 GLN HA 1 63 GLN QE . . 4.460 3.772 2.613 4.613 0.153 9 0 "[ . 1 . 2]" 1
1349 1 65 VAL H 1 65 VAL QG . . 3.360 2.187 1.889 3.125 . 0 0 "[ . 1 . 2]" 1
1350 1 65 VAL QG 1 66 GLU H . . 3.190 2.547 1.588 3.288 0.098 1 0 "[ . 1 . 2]" 1
1351 1 65 VAL QG 1 66 GLU HA . . 4.050 3.817 3.257 4.253 0.203 12 0 "[ . 1 . 2]" 1
1352 1 65 VAL QG 1 66 GLU QB . . 4.200 3.693 2.770 4.481 0.281 1 0 "[ . 1 . 2]" 1
1353 1 65 VAL QG 1 66 GLU QG . . 3.760 2.989 1.932 4.014 0.254 15 0 "[ . 1 . 2]" 1
1354 1 66 GLU H 1 66 GLU QB . . 3.410 2.729 2.032 3.362 . 0 0 "[ . 1 . 2]" 1
1355 1 66 GLU HA 1 66 GLU QG . . 3.560 2.971 2.369 3.400 . 0 0 "[ . 1 . 2]" 1
1356 1 70 ASN H 1 70 ASN QB . . 3.000 2.347 2.242 2.597 . 0 0 "[ . 1 . 2]" 1
1357 1 70 ASN H 1 70 ASN QD . . 4.550 4.089 2.007 4.521 . 0 0 "[ . 1 . 2]" 1
1358 1 70 ASN HA 1 70 ASN QD . . 3.900 3.112 1.944 3.823 . 0 0 "[ . 1 . 2]" 1
1359 1 70 ASN QB 1 71 MET H . . 3.930 2.607 2.298 2.994 . 0 0 "[ . 1 . 2]" 1
1360 1 71 MET HA 1 71 MET QG . . 3.180 2.759 2.374 3.063 . 0 0 "[ . 1 . 2]" 1
1361 1 71 MET HA 1 74 ASP QB . . 4.520 2.964 2.553 3.385 . 0 0 "[ . 1 . 2]" 1
1362 1 71 MET ME 1 71 MET QG . . 3.020 2.398 2.193 2.567 . 0 0 "[ . 1 . 2]" 1
1363 1 72 ALA HA 1 75 PHE QB . . 3.330 2.566 2.047 2.984 . 0 0 "[ . 1 . 2]" 1
1364 1 73 PHE QB 1 74 ASP H . . 4.100 2.433 2.305 2.627 . 0 0 "[ . 1 . 2]" 1
1365 1 74 ASP H 1 74 ASP QB . . 3.430 2.261 2.209 2.529 . 0 0 "[ . 1 . 2]" 1
1366 1 74 ASP QB 1 75 PHE H . . 3.640 2.543 2.337 2.718 . 0 0 "[ . 1 . 2]" 1
1367 1 75 PHE H 1 75 PHE QB . . 3.120 2.291 2.195 2.417 . 0 0 "[ . 1 . 2]" 1
1368 1 75 PHE QB 1 76 ILE H . . 3.300 2.592 2.409 2.824 . 0 0 "[ . 1 . 2]" 1
1369 1 76 ILE H 1 76 ILE QG . . 4.160 4.170 4.011 4.200 0.040 7 0 "[ . 1 . 2]" 1
1370 1 76 ILE HA 1 76 ILE QG . . 3.550 2.682 2.227 2.766 . 0 0 "[ . 1 . 2]" 1
1371 1 76 ILE HA 1 79 ASN QB . . 4.140 3.019 2.684 3.275 . 0 0 "[ . 1 . 2]" 1
1372 1 76 ILE QG 1 76 ILE MG . . 2.890 2.144 2.124 2.214 . 0 0 "[ . 1 . 2]" 1
1373 1 77 LEU HA 1 77 LEU QD . . 2.940 1.953 1.883 2.027 . 0 0 "[ . 1 . 2]" 1
1374 1 77 LEU HA 1 81 GLN QG . . 4.460 3.722 3.421 4.003 . 0 0 "[ . 1 . 2]" 1
1375 1 77 LEU HB2 1 77 LEU QD . . 2.700 2.337 2.176 2.372 . 0 0 "[ . 1 . 2]" 1
1376 1 77 LEU HB3 1 77 LEU QD . . 2.720 2.334 2.145 2.379 . 0 0 "[ . 1 . 2]" 1
1377 1 77 LEU HB3 1 81 GLN QG . . 3.870 3.492 3.132 3.986 0.116 15 0 "[ . 1 . 2]" 1
1378 1 77 LEU QD 1 78 ASP H . . 4.850 3.951 3.769 4.133 . 0 0 "[ . 1 . 2]" 1
1379 1 77 LEU QD 1 78 ASP HA . . 4.630 4.549 4.010 4.918 0.288 7 0 "[ . 1 . 2]" 1
1380 1 77 LEU QD 1 80 VAL H . . 5.270 4.500 4.266 4.764 . 0 0 "[ . 1 . 2]" 1
1381 1 77 LEU QD 1 80 VAL HB . . 3.690 3.191 2.954 3.662 . 0 0 "[ . 1 . 2]" 1
1382 1 77 LEU QD 1 81 GLN H . . 4.740 4.297 3.881 4.822 0.082 7 0 "[ . 1 . 2]" 1
1383 1 77 LEU QD 1 81 GLN QG . . 3.320 2.774 2.183 3.388 0.068 7 0 "[ . 1 . 2]" 1
1384 1 77 LEU QD 1 81 GLN QE . . 3.920 2.809 1.771 3.631 . 0 0 "[ . 1 . 2]" 1
1385 1 78 ASP H 1 78 ASP QB . . 2.770 2.251 2.230 2.286 . 0 0 "[ . 1 . 2]" 1
1386 1 78 ASP HA 1 81 GLN QG . . 3.400 2.935 2.432 3.269 . 0 0 "[ . 1 . 2]" 1
1387 1 78 ASP QB 1 82 VAL MG1 . . 4.350 4.145 3.948 4.308 . 0 0 "[ . 1 . 2]" 1
1388 1 79 ASN H 1 79 ASN QB . . 3.310 2.344 2.318 2.375 . 0 0 "[ . 1 . 2]" 1
1389 1 79 ASN QB 1 80 VAL HA . . 5.340 4.041 3.965 4.097 . 0 0 "[ . 1 . 2]" 1
1390 1 79 ASN QB 1 80 VAL MG2 . . 3.800 3.356 3.241 3.501 . 0 0 "[ . 1 . 2]" 1
1391 1 79 ASN QB 1 82 VAL MG2 . . 5.340 3.543 3.476 3.611 . 0 0 "[ . 1 . 2]" 1
1392 1 80 VAL H 1 81 GLN QG . . 4.240 4.207 4.077 4.317 0.077 12 0 "[ . 1 . 2]" 1
1393 1 80 VAL HA 1 83 VAL QG . . 4.340 3.656 3.401 3.817 . 0 0 "[ . 1 . 2]" 1
1394 1 80 VAL MG1 1 81 GLN QG . . 5.100 4.008 3.665 4.360 . 0 0 "[ . 1 . 2]" 1
1395 1 81 GLN H 1 81 GLN QG . . 3.480 2.340 2.193 2.557 . 0 0 "[ . 1 . 2]" 1
1396 1 81 GLN HA 1 81 GLN QG . . 3.680 3.077 2.967 3.192 . 0 0 "[ . 1 . 2]" 1
1397 1 81 GLN HA 1 84 LEU QD . . 4.010 3.183 2.517 3.779 . 0 0 "[ . 1 . 2]" 1
1398 1 81 GLN QG 1 91 THR HB . . 5.200 3.796 3.488 4.326 . 0 0 "[ . 1 . 2]" 1
1399 1 81 GLN QE 1 84 LEU QD . . 5.170 3.536 2.214 4.911 . 0 0 "[ . 1 . 2]" 1
1400 1 81 GLN QE 1 91 THR HA . . 4.410 3.763 3.142 4.404 . 0 0 "[ . 1 . 2]" 1
1401 1 81 GLN QE 1 91 THR HB . . 3.920 3.079 1.821 3.996 0.076 10 0 "[ . 1 . 2]" 1
1402 1 81 GLN QE 1 91 THR MG . . 3.820 3.596 2.492 4.019 0.199 10 0 "[ . 1 . 2]" 1
1403 1 81 GLN QE 1 92 LEU H . . 4.010 2.437 1.879 3.343 . 0 0 "[ . 1 . 2]" 1
1404 1 81 GLN QE 1 92 LEU HA . . 4.770 4.187 3.682 4.685 . 0 0 "[ . 1 . 2]" 1
1405 1 81 GLN QE 1 92 LEU QB . . 3.920 2.828 1.847 4.086 0.166 8 0 "[ . 1 . 2]" 1
1406 1 81 GLN QE 1 92 LEU HG . . 4.810 4.190 3.535 5.039 0.229 16 0 "[ . 1 . 2]" 1
1407 1 81 GLN QE 1 92 LEU QD . . 4.080 3.458 1.568 4.311 0.231 3 0 "[ . 1 . 2]" 1
1408 1 83 VAL H 1 83 VAL QG . . 3.390 2.175 2.079 2.230 . 0 0 "[ . 1 . 2]" 1
1409 1 83 VAL HA 1 83 VAL QG . . 2.650 2.190 2.179 2.201 . 0 0 "[ . 1 . 2]" 1
1410 1 83 VAL HA 1 86 GLN QG . . 4.140 4.061 3.917 4.192 0.052 2 0 "[ . 1 . 2]" 1
1411 1 83 VAL QG 1 84 LEU H . . 3.680 3.471 3.384 3.554 . 0 0 "[ . 1 . 2]" 1
1412 1 83 VAL QG 1 86 GLN QG . . 4.230 3.757 3.605 3.970 . 0 0 "[ . 1 . 2]" 1
1413 1 83 VAL QG 1 87 THR HB . . 5.440 3.725 3.301 3.971 . 0 0 "[ . 1 . 2]" 1
1414 1 84 LEU H 1 84 LEU QD . . 3.890 3.682 3.379 3.834 . 0 0 "[ . 1 . 2]" 1
1415 1 84 LEU HA 1 84 LEU QD . . 3.070 2.190 2.022 2.578 . 0 0 "[ . 1 . 2]" 1
1416 1 84 LEU QB 1 84 LEU QD . . 2.740 1.991 1.976 2.007 . 0 0 "[ . 1 . 2]" 1
1417 1 84 LEU QD 1 85 GLN H . . 5.440 4.180 3.939 4.340 . 0 0 "[ . 1 . 2]" 1
1418 1 84 LEU QD 1 87 THR HB . . 4.990 4.807 4.524 5.260 0.270 5 0 "[ . 1 . 2]" 1
1419 1 84 LEU QD 1 87 THR MG . . 2.760 2.371 2.093 2.708 . 0 0 "[ . 1 . 2]" 1
1420 1 84 LEU QD 1 88 TYR H . . 4.270 3.577 3.045 4.226 . 0 0 "[ . 1 . 2]" 1
1421 1 84 LEU QD 1 88 TYR QB . . 3.770 2.859 2.169 3.648 . 0 0 "[ . 1 . 2]" 1
1422 1 84 LEU QD 1 88 TYR QD . . 5.440 2.390 1.842 4.577 . 0 0 "[ . 1 . 2]" 1
1423 1 84 LEU QD 1 91 THR HA . . 3.470 2.575 2.206 3.277 . 0 0 "[ . 1 . 2]" 1
1424 1 84 LEU QD 1 92 LEU H . . 4.740 2.307 1.562 2.837 . 0 0 "[ . 1 . 2]" 1
1425 1 85 GLN QE 1 91 THR MG . . 4.830 2.664 1.449 4.200 . 0 0 "[ . 1 . 2]" 1
1426 1 86 GLN HG2 1 87 THR H . . 6.000 3.421 3.181 3.751 . 0 0 "[ . 1 . 2]" 1
1427 1 86 GLN HG3 1 87 THR H . . 6.000 4.609 4.401 4.845 . 0 0 "[ . 1 . 2]" 1
1428 1 86 GLN QG 1 87 THR HB . . 4.210 3.777 3.488 4.180 . 0 0 "[ . 1 . 2]" 1
1429 1 88 TYR H 1 88 TYR QB . . 3.410 2.447 2.355 2.589 . 0 0 "[ . 1 . 2]" 1
1430 1 89 GLY QA 1 90 SER HA . . 4.560 4.090 4.068 4.110 . 0 0 "[ . 1 . 2]" 1
1431 1 91 THR HA 1 92 LEU QB . . 4.290 4.089 3.946 4.324 0.034 4 0 "[ . 1 . 2]" 1
1432 1 92 LEU H 1 92 LEU QB . . 3.420 2.272 2.046 2.484 . 0 0 "[ . 1 . 2]" 1
1433 1 92 LEU H 1 92 LEU QD . . 4.100 3.599 2.189 3.994 . 0 0 "[ . 1 . 2]" 1
1434 1 92 LEU HA 1 92 LEU QD . . 3.430 2.619 2.184 3.475 0.045 19 0 "[ . 1 . 2]" 1
1435 1 92 LEU HA 1 93 LYS QB . . 4.700 4.427 4.283 4.617 . 0 0 "[ . 1 . 2]" 1
1436 1 92 LEU HA 1 93 LYS QG . . 4.080 3.811 3.396 4.116 0.036 6 0 "[ . 1 . 2]" 1
1437 1 92 LEU QD 1 93 LYS H . . 3.480 2.527 1.949 3.696 0.216 4 0 "[ . 1 . 2]" 1
1438 1 92 LEU QD 1 93 LYS HA . . 3.710 3.835 3.359 4.016 0.306 3 0 "[ . 1 . 2]" 1
1439 1 92 LEU QD 1 93 LYS QG . . 5.280 4.379 3.510 4.808 . 0 0 "[ . 1 . 2]" 1
1440 1 93 LYS H 1 93 LYS QB . . 3.310 2.664 2.382 3.076 . 0 0 "[ . 1 . 2]" 1
1441 1 93 LYS H 1 93 LYS QG . . 3.410 2.739 2.089 3.163 . 0 0 "[ . 1 . 2]" 1
1442 1 93 LYS H 1 94 VAL QG . . 4.470 4.110 3.762 4.378 . 0 0 "[ . 1 . 2]" 1
1443 1 93 LYS HA 1 93 LYS QG . . 3.350 2.775 2.368 3.395 0.045 9 0 "[ . 1 . 2]" 1
1444 1 93 LYS HA 1 94 VAL QG . . 3.820 3.451 2.999 3.645 . 0 0 "[ . 1 . 2]" 1
1445 1 93 LYS QB 1 93 LYS QE . . 3.590 3.216 1.993 3.725 0.135 20 0 "[ . 1 . 2]" 1
1446 1 93 LYS QB 1 94 VAL H . . 3.620 3.608 2.721 3.744 0.124 20 0 "[ . 1 . 2]" 1
1447 1 93 LYS QG 1 94 VAL H . . 4.670 4.468 3.966 4.859 0.189 1 0 "[ . 1 . 2]" 1
1448 1 94 VAL H 1 94 VAL QG . . 3.170 1.982 1.868 2.426 . 0 0 "[ . 1 . 2]" 1
1449 1 94 VAL HA 1 94 VAL QG . . 2.770 2.312 2.239 2.377 . 0 0 "[ . 1 . 2]" 1
1450 1 94 VAL QG 1 95 THR H . . 3.540 2.558 2.147 3.731 0.191 9 0 "[ . 1 . 2]" 1
1451 1 19 TRP HE1 1 23 ILE MG . . 5.000 4.122 3.044 4.759 . 0 0 "[ . 1 . 2]" 1
1452 1 19 TRP HD1 1 23 ILE MG . . 4.000 3.508 2.004 4.221 0.221 18 0 "[ . 1 . 2]" 1
1453 1 2 ASN HA 1 7 VAL HA . . 4.020 2.870 2.273 3.644 . 0 0 "[ . 1 . 2]" 1
1454 1 3 LEU H 1 6 ALA H . . 3.580 3.424 3.039 3.652 0.072 11 0 "[ . 1 . 2]" 1
1455 1 37 TYR QD 1 53 VAL MG1 . . 3.990 3.205 2.452 3.824 . 0 0 "[ . 1 . 2]" 1
1456 1 37 TYR QD 1 53 VAL MG2 . . 3.890 3.372 2.361 3.923 0.033 8 0 "[ . 1 . 2]" 1
1457 1 37 TYR QE 1 53 VAL MG2 . . 3.790 2.349 1.710 3.308 . 0 0 "[ . 1 . 2]" 1
1458 1 12 VAL MG2 1 37 TYR QE . . 4.140 4.081 3.099 4.361 0.221 16 0 "[ . 1 . 2]" 1
1459 1 12 VAL MG1 1 49 LYS HE2 . . 5.500 5.096 3.962 5.633 0.133 13 0 "[ . 1 . 2]" 1
1460 1 12 VAL MG1 1 49 LYS HE3 . . 5.500 4.915 3.919 5.660 0.160 18 0 "[ . 1 . 2]" 1
1461 1 49 LYS QE 1 52 LEU MD1 . . 4.710 3.328 1.728 4.813 0.103 5 0 "[ . 1 . 2]" 1
1462 1 2 ASN HD21 1 7 VAL QG . . 5.500 4.496 2.102 5.561 0.061 6 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 877
_Distance_constraint_stats_list.Viol_total 1167.668
_Distance_constraint_stats_list.Viol_max 0.325
_Distance_constraint_stats_list.Viol_rms 0.0486
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0332
_Distance_constraint_stats_list.Viol_average_violations_only 0.0666
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LEU 1.919 0.120 12 0 "[ . 1 . 2]"
1 6 ALA 1.919 0.120 12 0 "[ . 1 . 2]"
1 11 ASP 0.187 0.050 13 0 "[ . 1 . 2]"
1 12 VAL 0.869 0.094 16 0 "[ . 1 . 2]"
1 13 LYS 3.101 0.174 4 0 "[ . 1 . 2]"
1 15 LEU 0.393 0.079 13 0 "[ . 1 . 2]"
1 16 LEU 0.869 0.094 16 0 "[ . 1 . 2]"
1 17 ARG 3.101 0.174 4 0 "[ . 1 . 2]"
1 19 TRP 0.205 0.079 13 0 "[ . 1 . 2]"
1 28 GLU 0.249 0.104 20 0 "[ . 1 . 2]"
1 29 GLU 1.188 0.185 9 0 "[ . 1 . 2]"
1 31 ILE 4.157 0.195 1 0 "[ . 1 . 2]"
1 32 LEU 0.366 0.104 20 0 "[ . 1 . 2]"
1 33 GLN 3.700 0.185 9 0 "[ . 1 . 2]"
1 34 VAL 0.529 0.060 13 0 "[ . 1 . 2]"
1 35 VAL 5.253 0.195 1 0 "[ . 1 . 2]"
1 36 LYS 0.211 0.042 17 0 "[ . 1 . 2]"
1 37 TYR 3.643 0.164 3 0 "[ . 1 . 2]"
1 38 CYS 2.346 0.103 15 0 "[ . 1 . 2]"
1 39 THR 3.244 0.158 10 0 "[ . 1 . 2]"
1 40 ASP 0.292 0.046 17 0 "[ . 1 . 2]"
1 41 LEU 1.130 0.164 3 0 "[ . 1 . 2]"
1 42 ILE 1.817 0.103 15 0 "[ . 1 . 2]"
1 43 GLU 2.148 0.158 10 0 "[ . 1 . 2]"
1 44 GLU 0.198 0.046 17 0 "[ . 1 . 2]"
1 49 LYS 1.799 0.139 5 0 "[ . 1 . 2]"
1 51 ASP 2.161 0.157 5 0 "[ . 1 . 2]"
1 52 LEU 1.084 0.187 15 0 "[ . 1 . 2]"
1 53 VAL 1.825 0.139 5 0 "[ . 1 . 2]"
1 55 LYS 5.094 0.157 5 0 "[ . 1 . 2]"
1 56 TYR 1.095 0.187 15 0 "[ . 1 . 2]"
1 57 MET 0.027 0.027 11 0 "[ . 1 . 2]"
1 58 LYS 0.808 0.090 15 0 "[ . 1 . 2]"
1 59 ARG 3.457 0.134 13 0 "[ . 1 . 2]"
1 60 LEU 0.585 0.097 11 0 "[ . 1 . 2]"
1 62 GLN 0.808 0.090 15 0 "[ . 1 . 2]"
1 63 GLN 0.525 0.092 3 0 "[ . 1 . 2]"
1 64 SER 0.573 0.097 11 0 "[ . 1 . 2]"
1 69 TRP 0.372 0.073 3 0 "[ . 1 . 2]"
1 71 MET 0.395 0.067 2 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 3.705 0.281 17 0 "[ . 1 . 2]"
1 74 ASP 1.829 0.108 8 0 "[ . 1 . 2]"
1 75 PHE 0.395 0.067 2 0 "[ . 1 . 2]"
1 76 ILE 3.983 0.223 17 0 "[ . 1 . 2]"
1 77 LEU 3.499 0.281 17 0 "[ . 1 . 2]"
1 78 ASP 1.844 0.108 8 0 "[ . 1 . 2]"
1 79 ASN 6.413 0.285 1 0 "[ . 1 . 2]"
1 80 VAL 4.942 0.223 17 0 "[ . 1 . 2]"
1 81 GLN 0.310 0.044 1 0 "[ . 1 . 2]"
1 82 VAL 1.839 0.156 8 0 "[ . 1 . 2]"
1 83 VAL 7.763 0.285 1 0 "[ . 1 . 2]"
1 84 LEU 0.959 0.111 13 0 "[ . 1 . 2]"
1 85 GLN 0.143 0.039 14 0 "[ . 1 . 2]"
1 86 GLN 1.824 0.156 8 0 "[ . 1 . 2]"
1 87 THR 1.350 0.083 9 0 "[ . 1 . 2]"
2 9 PHE 0.006 0.006 14 0 "[ . 1 . 2]"
2 10 LYS 2.300 0.190 1 0 "[ . 1 . 2]"
2 11 GLN 0.720 0.147 18 0 "[ . 1 . 2]"
2 12 LYS 3.137 0.325 20 0 "[ . 1 . 2]"
2 13 SER 0.006 0.006 14 0 "[ . 1 . 2]"
2 14 LEU 2.300 0.190 1 0 "[ . 1 . 2]"
2 15 LEU 0.720 0.147 18 0 "[ . 1 . 2]"
2 16 LEU 3.137 0.325 20 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 11 ASP O 1 15 LEU H . . 2.100 2.064 1.967 2.126 0.026 7 0 "[ . 1 . 2]" 2
2 1 11 ASP O 1 15 LEU N . . 3.000 2.939 2.794 3.050 0.050 13 0 "[ . 1 . 2]" 2
3 1 12 VAL O 1 16 LEU H . . 2.100 2.088 1.974 2.153 0.053 16 0 "[ . 1 . 2]" 2
4 1 12 VAL O 1 16 LEU N . . 3.000 3.021 2.910 3.094 0.094 16 0 "[ . 1 . 2]" 2
5 1 13 LYS O 1 17 ARG H . . 2.100 2.222 2.147 2.274 0.174 4 0 "[ . 1 . 2]" 2
6 1 13 LYS O 1 17 ARG N . . 3.000 3.014 2.905 3.085 0.085 2 0 "[ . 1 . 2]" 2
7 1 15 LEU O 1 19 TRP H . . 2.100 2.034 1.926 2.119 0.019 13 0 "[ . 1 . 2]" 2
8 1 15 LEU O 1 19 TRP N . . 3.000 2.927 2.815 3.079 0.079 13 0 "[ . 1 . 2]" 2
9 1 28 GLU O 1 32 LEU H . . 2.100 2.033 1.924 2.149 0.049 20 0 "[ . 1 . 2]" 2
10 1 28 GLU O 1 32 LEU N . . 3.000 2.970 2.845 3.104 0.104 20 0 "[ . 1 . 2]" 2
11 1 29 GLU O 1 33 GLN H . . 2.100 2.147 1.974 2.285 0.185 9 0 "[ . 1 . 2]" 2
12 1 29 GLU O 1 33 GLN N . . 3.000 2.911 2.751 3.039 0.039 9 0 "[ . 1 . 2]" 2
13 1 31 ILE O 1 35 VAL H . . 2.100 2.192 2.142 2.256 0.156 1 0 "[ . 1 . 2]" 2
14 1 31 ILE O 1 35 VAL N . . 3.000 3.116 3.032 3.195 0.195 1 0 "[ . 1 . 2]" 2
15 1 32 LEU O 1 36 LYS H . . 2.100 2.051 1.981 2.138 0.038 19 0 "[ . 1 . 2]" 2
16 1 32 LEU O 1 36 LYS N . . 3.000 2.915 2.841 3.001 0.001 17 0 "[ . 1 . 2]" 2
17 1 33 GLN O 1 37 TYR H . . 2.100 2.159 2.089 2.213 0.113 14 0 "[ . 1 . 2]" 2
18 1 33 GLN O 1 37 TYR N . . 3.000 3.066 2.996 3.141 0.141 12 0 "[ . 1 . 2]" 2
19 1 34 VAL O 1 38 CYS H . . 2.100 2.085 1.967 2.160 0.060 13 0 "[ . 1 . 2]" 2
20 1 34 VAL O 1 38 CYS N . . 3.000 2.969 2.838 3.054 0.054 17 0 "[ . 1 . 2]" 2
21 1 35 VAL O 1 39 THR H . . 2.100 2.115 1.991 2.186 0.086 20 0 "[ . 1 . 2]" 2
22 1 35 VAL O 1 39 THR N . . 3.000 3.021 2.912 3.100 0.100 20 0 "[ . 1 . 2]" 2
23 1 36 LYS O 1 40 ASP H . . 2.100 2.011 1.876 2.108 0.008 15 0 "[ . 1 . 2]" 2
24 1 36 LYS O 1 40 ASP N . . 3.000 2.908 2.790 3.042 0.042 17 0 "[ . 1 . 2]" 2
25 1 37 TYR O 1 41 LEU H . . 2.100 2.084 1.992 2.231 0.131 4 0 "[ . 1 . 2]" 2
26 1 37 TYR O 1 41 LEU N . . 3.000 3.010 2.870 3.164 0.164 3 0 "[ . 1 . 2]" 2
27 1 38 CYS O 1 42 ILE H . . 2.100 2.175 2.129 2.203 0.103 15 0 "[ . 1 . 2]" 2
28 1 38 CYS O 1 42 ILE N . . 3.000 2.990 2.892 3.066 0.066 20 0 "[ . 1 . 2]" 2
29 1 39 THR O 1 43 GLU H . . 2.100 2.161 2.065 2.245 0.145 10 0 "[ . 1 . 2]" 2
30 1 39 THR O 1 43 GLU N . . 3.000 3.034 2.920 3.158 0.158 10 0 "[ . 1 . 2]" 2
31 1 40 ASP O 1 44 GLU H . . 2.100 2.019 1.915 2.139 0.039 11 0 "[ . 1 . 2]" 2
32 1 40 ASP O 1 44 GLU N . . 3.000 2.934 2.842 3.046 0.046 17 0 "[ . 1 . 2]" 2
33 1 49 LYS O 1 53 VAL H . . 2.100 2.113 2.032 2.187 0.087 5 0 "[ . 1 . 2]" 2
34 1 49 LYS O 1 53 VAL N . . 3.000 3.066 2.977 3.139 0.139 5 0 "[ . 1 . 2]" 2
35 1 51 ASP O 1 55 LYS H . . 2.100 2.117 1.979 2.194 0.094 18 0 "[ . 1 . 2]" 2
36 1 51 ASP O 1 55 LYS N . . 3.000 3.066 2.921 3.157 0.157 5 0 "[ . 1 . 2]" 2
37 1 52 LEU O 1 56 TYR H . . 2.100 2.086 1.989 2.216 0.116 15 0 "[ . 1 . 2]" 2
38 1 52 LEU O 1 56 TYR N . . 3.000 3.021 2.887 3.187 0.187 15 0 "[ . 1 . 2]" 2
39 1 53 VAL O 1 57 MET H . . 2.100 1.987 1.901 2.093 . 0 0 "[ . 1 . 2]" 2
40 1 53 VAL O 1 57 MET N . . 3.000 2.904 2.827 3.027 0.027 11 0 "[ . 1 . 2]" 2
41 1 55 LYS O 1 59 ARG H . . 2.100 2.153 2.074 2.217 0.117 9 0 "[ . 1 . 2]" 2
42 1 55 LYS O 1 59 ARG N . . 3.000 3.090 2.974 3.134 0.134 13 0 "[ . 1 . 2]" 2
43 1 56 TYR O 1 60 LEU H . . 2.100 1.992 1.910 2.103 0.003 14 0 "[ . 1 . 2]" 2
44 1 56 TYR O 1 60 LEU N . . 3.000 2.898 2.775 3.008 0.008 3 0 "[ . 1 . 2]" 2
45 1 58 LYS O 1 62 GLN H . . 2.100 2.090 1.942 2.190 0.090 15 0 "[ . 1 . 2]" 2
46 1 58 LYS O 1 62 GLN N . . 3.000 3.006 2.887 3.087 0.087 5 0 "[ . 1 . 2]" 2
47 1 59 ARG O 1 63 GLN H . . 2.100 2.102 1.975 2.192 0.092 3 0 "[ . 1 . 2]" 2
48 1 59 ARG O 1 63 GLN N . . 3.000 2.877 2.727 3.031 0.031 15 0 "[ . 1 . 2]" 2
49 1 60 LEU O 1 64 SER H . . 2.100 2.105 2.008 2.197 0.097 11 0 "[ . 1 . 2]" 2
50 1 60 LEU O 1 64 SER N . . 3.000 2.877 2.626 3.047 0.047 9 0 "[ . 1 . 2]" 2
51 1 69 TRP O 1 73 PHE H . . 2.100 2.050 1.901 2.173 0.073 3 0 "[ . 1 . 2]" 2
52 1 69 TRP O 1 73 PHE N . . 3.000 2.847 2.692 3.005 0.005 17 0 "[ . 1 . 2]" 2
53 1 71 MET O 1 75 PHE H . . 2.100 2.049 1.907 2.138 0.038 8 0 "[ . 1 . 2]" 2
54 1 71 MET O 1 75 PHE N . . 3.000 2.954 2.847 3.067 0.067 2 0 "[ . 1 . 2]" 2
55 1 72 ALA O 1 76 ILE H . . 2.100 1.960 1.909 2.031 . 0 0 "[ . 1 . 2]" 2
56 1 72 ALA O 1 76 ILE N . . 3.000 2.853 2.812 2.917 . 0 0 "[ . 1 . 2]" 2
57 1 73 PHE O 1 77 LEU H . . 2.100 2.159 2.091 2.307 0.207 17 0 "[ . 1 . 2]" 2
58 1 73 PHE O 1 77 LEU N . . 3.000 3.108 3.030 3.281 0.281 17 0 "[ . 1 . 2]" 2
59 1 74 ASP O 1 78 ASP H . . 2.100 2.121 1.945 2.177 0.077 5 0 "[ . 1 . 2]" 2
60 1 74 ASP O 1 78 ASP N . . 3.000 3.039 2.845 3.108 0.108 8 0 "[ . 1 . 2]" 2
61 1 76 ILE O 1 80 VAL H . . 2.100 2.175 2.107 2.259 0.159 17 0 "[ . 1 . 2]" 2
62 1 76 ILE O 1 80 VAL N . . 3.000 3.125 3.062 3.223 0.223 17 0 "[ . 1 . 2]" 2
63 1 77 LEU O 1 81 GLN H . . 2.100 2.072 2.000 2.144 0.044 1 0 "[ . 1 . 2]" 2
64 1 77 LEU O 1 81 GLN N . . 3.000 2.925 2.841 3.017 0.017 1 0 "[ . 1 . 2]" 2
65 1 78 ASP O 1 82 VAL H . . 2.100 2.020 1.936 2.088 . 0 0 "[ . 1 . 2]" 2
66 1 78 ASP O 1 82 VAL N . . 3.000 2.919 2.818 3.015 0.015 14 0 "[ . 1 . 2]" 2
67 1 79 ASN O 1 83 VAL H . . 2.100 2.234 2.196 2.317 0.217 1 0 "[ . 1 . 2]" 2
68 1 79 ASN O 1 83 VAL N . . 3.000 3.187 3.151 3.285 0.285 1 0 "[ . 1 . 2]" 2
69 1 80 VAL O 1 84 LEU H . . 2.100 2.132 2.073 2.211 0.111 13 0 "[ . 1 . 2]" 2
70 1 80 VAL O 1 84 LEU N . . 3.000 2.971 2.866 3.106 0.106 13 0 "[ . 1 . 2]" 2
71 1 81 GLN O 1 85 GLN H . . 2.100 2.070 1.992 2.139 0.039 14 0 "[ . 1 . 2]" 2
72 1 81 GLN O 1 85 GLN N . . 3.000 2.885 2.783 2.972 . 0 0 "[ . 1 . 2]" 2
73 1 82 VAL O 1 86 GLN H . . 2.100 2.184 2.142 2.256 0.156 8 0 "[ . 1 . 2]" 2
74 1 82 VAL O 1 86 GLN N . . 3.000 2.959 2.895 3.050 0.050 14 0 "[ . 1 . 2]" 2
75 1 83 VAL O 1 87 THR H . . 2.100 2.142 2.068 2.183 0.083 9 0 "[ . 1 . 2]" 2
76 1 83 VAL O 1 87 THR N . . 3.000 3.012 2.946 3.075 0.075 14 0 "[ . 1 . 2]" 2
77 1 3 LEU O 1 6 ALA H . . 2.100 2.142 1.976 2.204 0.104 3 0 "[ . 1 . 2]" 2
78 1 3 LEU O 1 6 ALA N . . 3.000 3.020 2.732 3.120 0.120 12 0 "[ . 1 . 2]" 2
79 1 3 LEU H 1 6 ALA O . . 2.100 2.007 1.914 2.155 0.055 3 0 "[ . 1 . 2]" 2
80 1 3 LEU N 1 6 ALA O . . 3.000 2.889 2.701 3.019 0.019 7 0 "[ . 1 . 2]" 2
81 2 12 LYS O 2 16 LEU H . . 2.100 2.233 1.998 2.425 0.325 20 0 "[ . 1 . 2]" 2
82 2 12 LYS O 2 16 LEU N . . 3.000 2.916 2.734 3.100 0.100 11 0 "[ . 1 . 2]" 2
83 2 9 PHE O 2 13 SER H . . 2.100 2.019 1.977 2.106 0.006 14 0 "[ . 1 . 2]" 2
84 2 9 PHE O 2 13 SER N . . 3.000 2.873 2.754 2.990 . 0 0 "[ . 1 . 2]" 2
85 2 10 LYS O 2 14 LEU H . . 2.100 2.210 2.141 2.290 0.190 1 0 "[ . 1 . 2]" 2
86 2 10 LYS O 2 14 LEU N . . 3.000 2.901 2.769 3.095 0.095 7 0 "[ . 1 . 2]" 2
87 2 11 GLN O 2 15 LEU H . . 2.100 2.104 1.986 2.212 0.112 15 0 "[ . 1 . 2]" 2
88 2 11 GLN O 2 15 LEU N . . 3.000 2.929 2.796 3.147 0.147 18 0 "[ . 1 . 2]" 2
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