NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590833 |
2mzp   |
25495 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzp
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 777
_Distance_constraint_stats_list.Viol_count 1796
_Distance_constraint_stats_list.Viol_total 5184.614
_Distance_constraint_stats_list.Viol_max 0.500
_Distance_constraint_stats_list.Viol_rms 0.0595
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0167
_Distance_constraint_stats_list.Viol_average_violations_only 0.1443
_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 ASP 0.096 0.044 13 0 "[ . 1 . 2]"
1 3 ASP 0.096 0.044 13 0 "[ . 1 . 2]"
1 4 ILE 4.309 0.426 20 0 "[ . 1 . 2]"
1 5 TYR 10.146 0.341 18 0 "[ . 1 . 2]"
1 6 LYS 3.269 0.223 12 0 "[ . 1 . 2]"
1 7 ALA 3.905 0.375 15 0 "[ . 1 . 2]"
1 8 ALA 12.483 0.364 12 0 "[ . 1 . 2]"
1 9 VAL 10.486 0.364 12 0 "[ . 1 . 2]"
1 10 GLU 1.230 0.197 1 0 "[ . 1 . 2]"
1 11 GLN 5.828 0.411 12 0 "[ . 1 . 2]"
1 12 LEU 9.043 0.429 18 0 "[ . 1 . 2]"
1 13 THR 13.221 0.259 18 0 "[ . 1 . 2]"
1 14 GLU 9.869 0.342 15 0 "[ . 1 . 2]"
1 15 GLU 14.774 0.406 20 0 "[ . 1 . 2]"
1 16 GLN 3.982 0.406 20 0 "[ . 1 . 2]"
1 17 LYS 14.621 0.475 16 0 "[ . 1 . 2]"
1 18 ASN 11.538 0.475 16 0 "[ . 1 . 2]"
1 19 GLU 3.942 0.300 7 0 "[ . 1 . 2]"
1 20 PHE 6.069 0.311 13 0 "[ . 1 . 2]"
1 21 LYS 4.736 0.311 13 0 "[ . 1 . 2]"
1 22 ALA 1.320 0.248 10 0 "[ . 1 . 2]"
1 23 ALA 3.181 0.290 14 0 "[ . 1 . 2]"
1 24 PHE 0.880 0.106 3 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 13.191 0.420 10 0 "[ . 1 . 2]"
1 27 PHE 1.860 0.290 14 0 "[ . 1 . 2]"
1 28 VAL 2.245 0.348 14 0 "[ . 1 . 2]"
1 29 LEU 15.064 0.427 14 0 "[ . 1 . 2]"
1 30 GLY 0.265 0.152 14 0 "[ . 1 . 2]"
1 31 ALA 3.729 0.348 14 0 "[ . 1 . 2]"
1 32 GLU 6.213 0.318 3 0 "[ . 1 . 2]"
1 33 ASP 5.815 0.318 3 0 "[ . 1 . 2]"
1 34 GLY 4.599 0.248 19 0 "[ . 1 . 2]"
1 35 CYS 3.752 0.248 19 0 "[ . 1 . 2]"
1 36 ILE 5.904 0.410 13 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 THR 4.496 0.148 13 0 "[ . 1 . 2]"
1 39 LYS 0.020 0.020 14 0 "[ . 1 . 2]"
1 40 GLU 4.181 0.410 13 0 "[ . 1 . 2]"
1 41 LEU 3.898 0.284 14 0 "[ . 1 . 2]"
1 42 GLY 0.453 0.133 7 0 "[ . 1 . 2]"
1 43 LYS 11.503 0.411 12 0 "[ . 1 . 2]"
1 44 VAL 12.875 0.411 12 0 "[ . 1 . 2]"
1 45 MET 6.452 0.343 12 0 "[ . 1 . 2]"
1 46 ARG 0.812 0.102 9 0 "[ . 1 . 2]"
1 47 MET 4.644 0.202 7 0 "[ . 1 . 2]"
1 48 LEU 4.812 0.202 7 0 "[ . 1 . 2]"
1 49 GLY 0.003 0.003 20 0 "[ . 1 . 2]"
1 50 GLN 2.199 0.137 11 0 "[ . 1 . 2]"
1 51 ASN 6.774 0.285 12 0 "[ . 1 . 2]"
1 52 PRO 10.095 0.409 20 0 "[ . 1 . 2]"
1 53 THR 5.883 0.409 20 0 "[ . 1 . 2]"
1 54 PRO 2.494 0.269 9 0 "[ . 1 . 2]"
1 55 GLU 10.792 0.500 16 1 "[ . 1 .+ 2]"
1 56 GLU 16.474 0.500 16 1 "[ . 1 .+ 2]"
1 57 LEU 8.612 0.376 16 0 "[ . 1 . 2]"
1 58 GLN 12.983 0.376 16 0 "[ . 1 . 2]"
1 59 GLU 2.947 0.327 1 0 "[ . 1 . 2]"
1 60 MET 3.663 0.316 6 0 "[ . 1 . 2]"
1 61 ILE 10.852 0.262 13 0 "[ . 1 . 2]"
1 62 ASP 0.202 0.202 1 0 "[ . 1 . 2]"
1 63 GLU 2.068 0.282 4 0 "[ . 1 . 2]"
1 64 VAL 0.669 0.160 20 0 "[ . 1 . 2]"
1 65 ASP 1.624 0.178 14 0 "[ . 1 . 2]"
1 66 GLU 2.339 0.178 14 0 "[ . 1 . 2]"
1 67 ASP 4.258 0.342 4 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 5.507 0.342 4 0 "[ . 1 . 2]"
1 70 GLY 2.443 0.225 19 0 "[ . 1 . 2]"
1 71 THR 1.255 0.162 17 0 "[ . 1 . 2]"
1 72 VAL 0.696 0.138 4 0 "[ . 1 . 2]"
1 73 ASP 0.408 0.106 3 0 "[ . 1 . 2]"
1 74 PHE 1.682 0.197 18 0 "[ . 1 . 2]"
1 75 ASP 4.974 0.317 16 0 "[ . 1 . 2]"
1 76 GLU 0.857 0.345 8 0 "[ . 1 . 2]"
1 77 PHE 3.558 0.311 13 0 "[ . 1 . 2]"
1 78 LEU 7.276 0.317 16 0 "[ . 1 . 2]"
1 79 VAL 6.238 0.382 8 0 "[ . 1 . 2]"
1 80 MET 7.510 0.282 9 0 "[ . 1 . 2]"
1 81 MET 12.411 0.348 18 0 "[ . 1 . 2]"
1 82 VAL 0.753 0.193 19 0 "[ . 1 . 2]"
1 83 ARG 6.398 0.466 19 0 "[ . 1 . 2]"
1 84 CYS 1.563 0.220 19 0 "[ . 1 . 2]"
1 85 MET 0.090 0.090 11 0 "[ . 1 . 2]"
1 86 LYS 2.977 0.399 16 0 "[ . 1 . 2]"
1 87 ASP 3.393 0.410 16 0 "[ . 1 . 2]"
1 88 ASP 7.487 0.446 6 0 "[ . 1 . 2]"
1 89 SER 4.719 0.446 6 0 "[ . 1 . 2]"
2 1 ARG 0.485 0.485 19 0 "[ . 1 . 2]"
2 2 ARG 0.556 0.485 19 0 "[ . 1 . 2]"
2 3 VAL 0.212 0.141 3 0 "[ . 1 . 2]"
2 4 ARG 0.010 0.010 1 0 "[ . 1 . 2]"
2 5 ILE 2.850 0.220 19 0 "[ . 1 . 2]"
2 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 MET 1.810 0.216 18 0 "[ . 1 . 2]"
2 12 GLN 0.267 0.101 10 0 "[ . 1 . 2]"
2 13 ALA 0.098 0.063 15 0 "[ . 1 . 2]"
2 14 LEU 0.098 0.063 15 0 "[ . 1 . 2]"
2 15 LEU 0.252 0.141 19 0 "[ . 1 . 2]"
2 16 GLY 0.239 0.141 19 0 "[ . 1 . 2]"
2 17 ALA 0.031 0.019 12 0 "[ . 1 . 2]"
2 18 ARG 0.351 0.351 2 0 "[ . 1 . 2]"
2 19 HIS 1.576 0.351 2 0 "[ . 1 . 2]"
2 22 SER 0.447 0.128 7 0 "[ . 1 . 2]"
2 23 LEU 0.884 0.351 2 0 "[ . 1 . 2]"
2 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 LEU 0.924 0.183 2 0 "[ . 1 . 2]"
2 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 ALA 0.712 0.183 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP QB 1 4 ILE H 3.490 . 3.490 2.695 2.385 3.433 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASP QB 1 5 TYR H 4.410 . 4.410 4.025 2.443 4.454 0.044 13 0 "[ . 1 . 2]" 1
3 1 3 ASP H 1 3 ASP QB 3.050 . 3.050 2.364 2.238 2.596 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASP H 1 4 ILE H . . 3.850 2.670 2.591 2.801 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP HA 1 6 LYS QB 3.920 . 3.920 2.836 2.368 3.508 . 0 0 "[ . 1 . 2]" 1
6 1 4 ILE H 1 4 ILE HB 3.100 . 3.100 2.519 2.380 3.526 0.426 20 0 "[ . 1 . 2]" 1
7 1 4 ILE H 1 4 ILE MD 4.340 . 4.340 3.472 2.796 4.271 . 0 0 "[ . 1 . 2]" 1
8 1 4 ILE H 1 5 TYR H . . 3.260 2.659 2.472 2.793 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE H 1 6 LYS H 4.350 . 4.350 3.966 3.805 4.115 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE H 1 7 ALA MB 4.980 . 4.980 4.673 4.345 5.046 0.066 6 0 "[ . 1 . 2]" 1
11 1 4 ILE HA 1 4 ILE HB . . 2.940 2.889 2.453 3.024 0.084 18 0 "[ . 1 . 2]" 1
12 1 4 ILE HA 1 4 ILE MD 4.040 . 4.040 3.206 2.068 4.096 0.056 20 0 "[ . 1 . 2]" 1
13 1 4 ILE HA 1 4 ILE QG . . 3.110 2.588 2.258 3.283 0.173 20 0 "[ . 1 . 2]" 1
14 1 4 ILE HA 1 5 TYR H 3.940 . 3.940 3.527 3.498 3.555 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE HA 1 7 ALA MB 3.250 . 3.250 2.635 2.314 3.146 . 0 0 "[ . 1 . 2]" 1
16 1 4 ILE HB 1 4 ILE MD 3.020 . 3.020 2.607 2.256 3.220 0.200 18 0 "[ . 1 . 2]" 1
17 1 4 ILE HB 1 5 TYR H 3.960 . 3.960 2.883 2.426 3.949 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE MD 1 4 ILE MG . . 2.200 1.937 1.789 2.068 0.011 12 0 "[ . 1 . 2]" 1
19 1 4 ILE QG 1 5 TYR H 3.970 . 3.970 3.864 2.019 4.109 0.139 16 0 "[ . 1 . 2]" 1
20 1 4 ILE MG 1 5 TYR H 3.700 . 3.700 3.111 1.805 3.855 0.155 20 0 "[ . 1 . 2]" 1
21 1 5 TYR H 1 5 TYR QB . . 3.270 2.270 2.172 2.430 . 0 0 "[ . 1 . 2]" 1
22 1 5 TYR H 1 6 LYS H 2.980 . 2.980 2.706 2.562 2.915 . 0 0 "[ . 1 . 2]" 1
23 1 5 TYR H 1 6 LYS QB 4.410 . 4.410 4.477 4.236 4.633 0.223 12 0 "[ . 1 . 2]" 1
24 1 5 TYR H 1 7 ALA H 4.610 . 4.610 4.155 4.033 4.311 . 0 0 "[ . 1 . 2]" 1
25 1 5 TYR H 1 8 ALA H 4.310 . 4.310 4.559 4.457 4.651 0.341 18 0 "[ . 1 . 2]" 1
26 1 5 TYR HA 1 5 TYR QD 3.590 . 3.590 2.686 2.302 3.002 . 0 0 "[ . 1 . 2]" 1
27 1 5 TYR HA 1 5 TYR QE 4.420 . 4.420 4.462 4.230 4.590 0.170 16 0 "[ . 1 . 2]" 1
28 1 5 TYR HA 1 8 ALA H 3.920 . 3.920 3.407 3.195 3.729 . 0 0 "[ . 1 . 2]" 1
29 1 5 TYR HA 1 8 ALA MB 3.260 . 3.260 2.520 2.293 2.834 . 0 0 "[ . 1 . 2]" 1
30 1 5 TYR QB 1 6 LYS H . . 3.790 2.495 2.248 2.686 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR QD 1 6 LYS H 4.630 . 4.630 3.765 3.015 4.488 . 0 0 "[ . 1 . 2]" 1
32 1 5 TYR QD 1 83 ARG HA 4.830 . 4.830 4.842 4.609 4.991 0.161 18 0 "[ . 1 . 2]" 1
33 1 5 TYR QE 1 79 VAL HA 4.520 . 4.520 3.857 2.536 4.619 0.099 14 0 "[ . 1 . 2]" 1
34 1 5 TYR QE 1 83 ARG HA 4.480 . 4.480 3.046 2.309 4.346 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS H 1 6 LYS QB . . 2.740 2.238 2.049 2.354 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS H 1 6 LYS QG 3.810 . 3.810 3.303 2.266 4.007 0.197 10 0 "[ . 1 . 2]" 1
37 1 6 LYS HA 1 6 LYS QB . . 2.790 2.417 2.308 2.551 . 0 0 "[ . 1 . 2]" 1
38 1 6 LYS HA 1 6 LYS QG 3.970 . 3.970 2.380 2.197 2.591 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS HA 1 9 VAL H 4.060 . 4.060 3.574 3.446 3.727 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS HA 1 9 VAL HB 3.760 . 3.760 2.985 2.674 3.670 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS HA 1 9 VAL QG . . 3.310 3.163 2.881 3.478 0.168 19 0 "[ . 1 . 2]" 1
42 1 7 ALA H 1 7 ALA MB 2.600 . 2.600 2.149 2.030 2.239 . 0 0 "[ . 1 . 2]" 1
43 1 7 ALA H 1 8 ALA H . . 3.080 2.627 2.513 2.688 . 0 0 "[ . 1 . 2]" 1
44 1 7 ALA HA 1 11 GLN H 3.610 . 3.610 3.801 3.699 3.985 0.375 15 0 "[ . 1 . 2]" 1
45 1 7 ALA MB 1 8 ALA H 3.060 . 3.060 2.675 2.573 2.916 . 0 0 "[ . 1 . 2]" 1
46 1 8 ALA H 1 8 ALA HA 2.990 . 2.990 2.826 2.809 2.853 . 0 0 "[ . 1 . 2]" 1
47 1 8 ALA H 1 8 ALA MB 2.700 . 2.700 2.130 2.027 2.241 . 0 0 "[ . 1 . 2]" 1
48 1 8 ALA H 1 9 VAL H . . 3.080 2.660 2.615 2.704 . 0 0 "[ . 1 . 2]" 1
49 1 8 ALA H 1 9 VAL HB 4.390 . 4.390 4.682 4.604 4.754 0.364 12 0 "[ . 1 . 2]" 1
50 1 8 ALA H 1 9 VAL QG 4.130 . 4.130 4.187 4.115 4.265 0.135 20 0 "[ . 1 . 2]" 1
51 1 8 ALA HA 1 9 VAL H 3.850 . 3.850 3.532 3.505 3.544 . 0 0 "[ . 1 . 2]" 1
52 1 8 ALA MB 1 9 VAL H 3.430 . 3.430 2.545 2.447 2.653 . 0 0 "[ . 1 . 2]" 1
53 1 8 ALA MB 1 9 VAL QG 3.180 . 3.180 3.010 2.809 3.191 0.011 12 0 "[ . 1 . 2]" 1
54 1 8 ALA MB 1 82 VAL QG . . 2.640 2.455 1.987 2.833 0.193 19 0 "[ . 1 . 2]" 1
55 1 9 VAL H 1 9 VAL HB 2.970 . 2.970 2.347 2.309 2.371 . 0 0 "[ . 1 . 2]" 1
56 1 9 VAL H 1 9 VAL QG 2.920 . 2.920 2.263 2.205 2.379 . 0 0 "[ . 1 . 2]" 1
57 1 9 VAL H 1 10 GLU H 3.250 . 3.250 2.690 2.551 2.751 . 0 0 "[ . 1 . 2]" 1
58 1 9 VAL HA 1 9 VAL HB 2.970 . 2.970 3.012 3.004 3.016 0.046 9 0 "[ . 1 . 2]" 1
59 1 9 VAL HA 1 9 VAL QG . . 2.580 2.080 2.045 2.101 . 0 0 "[ . 1 . 2]" 1
60 1 9 VAL HA 1 10 GLU H 4.130 . 4.130 3.554 3.487 3.574 . 0 0 "[ . 1 . 2]" 1
61 1 9 VAL HA 1 11 GLN H 4.530 . 4.530 4.339 4.053 4.553 0.023 2 0 "[ . 1 . 2]" 1
62 1 9 VAL HA 1 12 LEU H 3.700 . 3.700 3.708 3.410 3.974 0.274 18 0 "[ . 1 . 2]" 1
63 1 9 VAL HA 1 12 LEU QD 3.740 . 3.740 2.528 2.183 3.069 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL QG 1 10 GLU H 3.670 . 3.670 3.061 2.996 3.288 . 0 0 "[ . 1 . 2]" 1
65 1 9 VAL QG 1 10 GLU HA 3.830 . 3.830 3.311 3.211 3.462 . 0 0 "[ . 1 . 2]" 1
66 1 9 VAL QG 1 78 LEU QB 3.610 . 3.610 3.069 2.212 3.883 0.273 20 0 "[ . 1 . 2]" 1
67 1 9 VAL QG 1 78 LEU QD 3.180 . 3.180 2.486 1.784 3.322 0.142 12 0 "[ . 1 . 2]" 1
68 1 10 GLU H 1 10 GLU HA 3.100 . 3.100 2.849 2.805 2.920 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLU H 1 10 GLU QB 2.720 . 2.720 2.310 2.143 2.424 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU H 1 10 GLU QG 3.840 . 3.840 3.042 2.233 4.037 0.197 1 0 "[ . 1 . 2]" 1
71 1 10 GLU H 1 11 GLN H 3.200 . 3.200 2.526 2.270 2.667 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLU H 1 12 LEU H 4.760 . 4.760 4.152 3.858 4.305 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLU HA 1 10 GLU QB . . 2.610 2.401 2.360 2.497 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU HA 1 10 GLU QG 3.130 . 3.130 2.454 2.193 2.889 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU HA 1 12 LEU H 4.280 . 4.280 4.108 3.768 4.336 0.056 18 0 "[ . 1 . 2]" 1
76 1 11 GLN H 1 11 GLN QB 2.960 . 2.960 2.280 2.225 2.571 . 0 0 "[ . 1 . 2]" 1
77 1 11 GLN H 1 12 LEU QD 4.330 . 4.330 4.249 3.331 4.741 0.411 12 0 "[ . 1 . 2]" 1
78 1 11 GLN HA 1 11 GLN QG . . 3.220 2.388 2.180 2.794 . 0 0 "[ . 1 . 2]" 1
79 1 11 GLN HA 1 12 LEU H 3.630 . 3.630 3.493 2.908 3.568 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLN QB 1 12 LEU H 4.240 . 4.240 2.800 2.622 3.818 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLN QG 1 12 LEU H 4.500 . 4.500 4.032 3.672 4.404 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU H 1 12 LEU QB 2.960 . 2.960 2.307 2.046 2.655 . 0 0 "[ . 1 . 2]" 1
83 1 12 LEU H 1 13 THR H . . 4.540 4.592 4.545 4.636 0.096 3 0 "[ . 1 . 2]" 1
84 1 12 LEU H 1 17 LYS QG 4.940 . 4.940 5.048 4.644 5.343 0.403 18 0 "[ . 1 . 2]" 1
85 1 12 LEU HA 1 12 LEU QD . . 2.820 2.257 1.938 3.249 0.429 18 0 "[ . 1 . 2]" 1
86 1 12 LEU HA 1 12 LEU HG 4.110 . 4.110 2.824 2.315 3.717 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU HA 1 13 THR H 2.670 . 2.670 2.235 2.151 2.502 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU QB 1 13 THR H 3.520 . 3.520 2.974 2.233 3.394 . 0 0 "[ . 1 . 2]" 1
89 1 12 LEU QD 1 13 THR H 3.520 . 3.520 3.238 2.055 3.644 0.124 4 0 "[ . 1 . 2]" 1
90 1 12 LEU QD 1 17 LYS H 4.740 . 4.740 4.045 3.510 4.563 . 0 0 "[ . 1 . 2]" 1
91 1 12 LEU QD 1 17 LYS QD 3.930 . 3.930 3.417 2.118 4.253 0.323 15 0 "[ . 1 . 2]" 1
92 1 13 THR H 1 13 THR HA 2.670 . 2.670 2.870 2.834 2.929 0.259 18 0 "[ . 1 . 2]" 1
93 1 13 THR H 1 13 THR MG 2.570 . 2.570 2.258 2.029 2.525 . 0 0 "[ . 1 . 2]" 1
94 1 13 THR H 1 16 GLN H . . 4.160 3.826 3.441 4.120 . 0 0 "[ . 1 . 2]" 1
95 1 13 THR H 1 16 GLN QB 3.880 . 3.880 2.567 2.246 2.869 . 0 0 "[ . 1 . 2]" 1
96 1 13 THR H 1 16 GLN QG 3.580 . 3.580 3.300 2.533 3.776 0.196 15 0 "[ . 1 . 2]" 1
97 1 13 THR H 1 17 LYS H 4.680 . 4.680 4.514 4.060 4.760 0.080 19 0 "[ . 1 . 2]" 1
98 1 13 THR HA 1 13 THR HB . . 2.660 2.441 2.393 2.479 . 0 0 "[ . 1 . 2]" 1
99 1 13 THR HA 1 13 THR MG 2.770 . 2.770 2.342 2.265 2.426 . 0 0 "[ . 1 . 2]" 1
100 1 13 THR HA 1 14 GLU H 2.650 . 2.650 2.398 2.342 2.464 . 0 0 "[ . 1 . 2]" 1
101 1 13 THR HA 1 15 GLU H 4.180 . 4.180 4.274 4.130 4.338 0.158 17 0 "[ . 1 . 2]" 1
102 1 13 THR HB 1 14 GLU H 2.850 . 2.850 2.404 2.256 2.553 . 0 0 "[ . 1 . 2]" 1
103 1 13 THR HB 1 15 GLU H 3.320 . 3.320 2.838 2.703 2.963 . 0 0 "[ . 1 . 2]" 1
104 1 13 THR HB 1 16 GLN H 4.370 . 4.370 3.640 3.377 4.093 . 0 0 "[ . 1 . 2]" 1
105 1 13 THR MG 1 14 GLU H 3.610 . 3.610 3.725 3.647 3.769 0.159 13 0 "[ . 1 . 2]" 1
106 1 13 THR MG 1 15 GLU H 4.330 . 4.330 4.350 4.212 4.417 0.087 15 0 "[ . 1 . 2]" 1
107 1 13 THR MG 1 16 GLN H 4.050 . 4.050 4.160 4.108 4.264 0.214 12 0 "[ . 1 . 2]" 1
108 1 14 GLU H 1 14 GLU QB 2.810 . 2.810 2.375 2.116 2.702 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLU H 1 14 GLU QG 3.620 . 3.620 2.751 1.917 3.930 0.310 13 0 "[ . 1 . 2]" 1
110 1 14 GLU H 1 15 GLU H . . 3.260 2.610 2.502 2.657 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLU HA 1 14 GLU QB 2.480 . 2.480 2.351 2.182 2.495 0.015 2 0 "[ . 1 . 2]" 1
112 1 14 GLU HA 1 14 GLU QG 3.460 . 3.460 2.580 2.270 3.346 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLU HA 1 15 GLU H 3.160 . 3.160 3.486 3.460 3.502 0.342 15 0 "[ . 1 . 2]" 1
114 1 15 GLU H 1 15 GLU QB 2.680 . 2.680 2.364 2.107 2.809 0.129 6 0 "[ . 1 . 2]" 1
115 1 15 GLU H 1 15 GLU QG 3.750 . 3.750 2.892 1.741 3.978 0.228 16 0 "[ . 1 . 2]" 1
116 1 15 GLU H 1 16 GLN H 3.290 . 3.290 2.658 2.521 2.729 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU HA 1 15 GLU QG . . 3.200 2.517 2.270 3.302 0.102 20 0 "[ . 1 . 2]" 1
118 1 15 GLU HA 1 16 GLN H 3.890 . 3.890 3.553 3.523 3.565 . 0 0 "[ . 1 . 2]" 1
119 1 15 GLU HA 1 18 ASN H 3.280 . 3.280 3.372 3.293 3.462 0.182 12 0 "[ . 1 . 2]" 1
120 1 15 GLU HA 1 18 ASN QB . . 3.410 2.619 2.390 2.939 . 0 0 "[ . 1 . 2]" 1
121 1 15 GLU HA 1 19 GLU H 4.130 . 4.130 4.175 3.757 4.297 0.167 12 0 "[ . 1 . 2]" 1
122 1 15 GLU QB 1 16 GLN H . . 2.880 2.604 2.465 3.286 0.406 20 0 "[ . 1 . 2]" 1
123 1 16 GLN H 1 16 GLN QB 3.430 . 3.430 2.271 2.065 2.376 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLN H 1 17 LYS H 3.000 . 3.000 2.646 2.579 2.734 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLN H 1 18 ASN H 4.150 . 4.150 4.061 3.800 4.161 0.011 7 0 "[ . 1 . 2]" 1
126 1 16 GLN HA 1 16 GLN QG . . 3.280 2.433 2.272 2.786 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLN HA 1 17 LYS H 4.350 . 4.350 3.536 3.513 3.551 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLN HA 1 19 GLU H 4.130 . 4.130 3.552 3.390 3.775 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLN HA 1 19 GLU QB 3.890 . 3.890 3.104 2.624 4.059 0.169 16 0 "[ . 1 . 2]" 1
130 1 16 GLN QB 1 17 LYS H 3.360 . 3.360 2.583 2.501 2.815 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLN QB 1 17 LYS H 3.980 . 3.980 2.606 2.516 2.839 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLN QG 1 17 LYS H 4.940 . 4.940 4.237 4.108 4.640 . 0 0 "[ . 1 . 2]" 1
133 1 17 LYS H 1 17 LYS QB 2.930 . 2.930 2.341 2.240 2.409 . 0 0 "[ . 1 . 2]" 1
134 1 17 LYS H 1 17 LYS QG 3.180 . 3.180 2.431 2.302 2.699 . 0 0 "[ . 1 . 2]" 1
135 1 17 LYS HA 1 17 LYS QD 3.850 . 3.850 3.214 2.272 4.044 0.194 17 0 "[ . 1 . 2]" 1
136 1 17 LYS HA 1 17 LYS QG . . 3.580 2.348 2.217 2.530 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS HA 1 18 ASN HA 4.280 . 4.280 4.721 4.696 4.755 0.475 16 0 "[ . 1 . 2]" 1
138 1 17 LYS HA 1 20 PHE QB . . 3.530 2.609 2.279 3.090 . 0 0 "[ . 1 . 2]" 1
139 1 17 LYS HA 1 20 PHE QD 3.750 . 3.750 2.847 2.330 3.946 0.196 9 0 "[ . 1 . 2]" 1
140 1 17 LYS HA 1 78 LEU QD 3.840 . 3.840 3.691 3.299 3.957 0.117 5 0 "[ . 1 . 2]" 1
141 1 17 LYS QB 1 17 LYS QD 2.780 . 2.780 2.205 2.113 2.302 . 0 0 "[ . 1 . 2]" 1
142 1 17 LYS QB 1 18 ASN H 2.890 . 2.890 2.646 2.581 2.898 0.008 18 0 "[ . 1 . 2]" 1
143 1 17 LYS QD 1 78 LEU QD 4.040 . 4.040 3.221 2.151 4.171 0.131 19 0 "[ . 1 . 2]" 1
144 1 17 LYS QG 1 18 ASN H 4.330 . 4.330 4.156 4.072 4.306 . 0 0 "[ . 1 . 2]" 1
145 1 18 ASN H 1 18 ASN QB 2.790 . 2.790 2.287 2.163 2.374 . 0 0 "[ . 1 . 2]" 1
146 1 18 ASN H 1 18 ASN QD 4.480 . 4.480 3.991 2.587 4.633 0.153 20 0 "[ . 1 . 2]" 1
147 1 18 ASN H 1 19 GLU H 3.110 . 3.110 2.693 2.638 2.779 . 0 0 "[ . 1 . 2]" 1
148 1 18 ASN H 1 19 GLU QG 4.410 . 4.410 4.272 3.653 4.478 0.068 9 0 "[ . 1 . 2]" 1
149 1 18 ASN HA 1 19 GLU H 4.150 . 4.150 3.539 3.522 3.567 . 0 0 "[ . 1 . 2]" 1
150 1 18 ASN HA 1 21 LYS H 3.880 . 3.880 3.539 3.350 3.780 . 0 0 "[ . 1 . 2]" 1
151 1 18 ASN HA 1 21 LYS QB 3.200 . 3.200 2.786 2.326 3.218 0.018 7 0 "[ . 1 . 2]" 1
152 1 18 ASN HA 1 22 ALA H 4.580 . 4.580 4.253 3.961 4.528 . 0 0 "[ . 1 . 2]" 1
153 1 18 ASN QB 1 19 GLU H 3.460 . 3.460 2.541 2.350 2.652 . 0 0 "[ . 1 . 2]" 1
154 1 19 GLU H 1 19 GLU QB 2.690 . 2.690 2.382 2.322 2.598 . 0 0 "[ . 1 . 2]" 1
155 1 19 GLU H 1 19 GLU QG 3.480 . 3.480 2.213 1.777 2.357 0.023 16 0 "[ . 1 . 2]" 1
156 1 19 GLU H 1 20 PHE H 2.890 . 2.890 2.653 2.535 2.746 . 0 0 "[ . 1 . 2]" 1
157 1 19 GLU H 1 20 PHE QB 4.590 . 4.590 4.441 4.176 4.805 0.215 10 0 "[ . 1 . 2]" 1
158 1 19 GLU HA 1 19 GLU QG . . 3.580 2.616 2.284 3.389 . 0 0 "[ . 1 . 2]" 1
159 1 19 GLU HA 1 20 PHE H 4.150 . 4.150 3.535 3.512 3.573 . 0 0 "[ . 1 . 2]" 1
160 1 19 GLU HA 2 15 LEU QD 6.000 . 6.000 4.664 3.343 6.025 0.025 16 0 "[ . 1 . 2]" 1
161 1 19 GLU QB 1 20 PHE H 3.100 . 3.100 2.739 2.470 3.400 0.300 7 0 "[ . 1 . 2]" 1
162 1 20 PHE H 1 20 PHE QB 3.090 . 3.090 2.194 2.046 2.511 . 0 0 "[ . 1 . 2]" 1
163 1 20 PHE H 1 21 LYS H 3.430 . 3.430 2.668 2.513 2.888 . 0 0 "[ . 1 . 2]" 1
164 1 20 PHE H 1 21 LYS QB 5.000 . 5.000 4.439 4.211 4.622 . 0 0 "[ . 1 . 2]" 1
165 1 20 PHE HA 1 21 LYS H 4.510 . 4.510 3.541 3.511 3.576 . 0 0 "[ . 1 . 2]" 1
166 1 20 PHE HA 1 23 ALA MB 3.600 . 3.600 2.724 2.354 3.148 . 0 0 "[ . 1 . 2]" 1
167 1 20 PHE QB 1 21 LYS H 3.590 . 3.590 2.708 2.542 3.022 . 0 0 "[ . 1 . 2]" 1
168 1 20 PHE QB 1 78 LEU QD 3.310 . 3.310 2.670 2.165 3.335 0.025 13 0 "[ . 1 . 2]" 1
169 1 20 PHE QR 1 78 LEU QD 3.370 . 3.370 2.501 2.047 3.383 0.013 12 0 "[ . 1 . 2]" 1
170 1 20 PHE QD 1 23 ALA MB 3.500 . 3.500 2.827 2.306 3.588 0.088 18 0 "[ . 1 . 2]" 1
171 1 20 PHE QE 1 21 LYS H 3.990 . 3.990 4.163 4.016 4.301 0.311 13 0 "[ . 1 . 2]" 1
172 1 21 LYS H 1 21 LYS QB 3.090 . 3.090 2.268 2.180 2.374 . 0 0 "[ . 1 . 2]" 1
173 1 21 LYS H 1 21 LYS QG 4.080 . 4.080 3.491 2.275 4.052 . 0 0 "[ . 1 . 2]" 1
174 1 21 LYS H 1 22 ALA H . . 3.200 2.713 2.629 2.806 . 0 0 "[ . 1 . 2]" 1
175 1 21 LYS H 1 78 LEU QD 4.980 . 4.980 4.661 4.139 5.109 0.129 13 0 "[ . 1 . 2]" 1
176 1 21 LYS HA 1 21 LYS QD 4.130 . 4.130 3.803 2.258 4.147 0.017 10 0 "[ . 1 . 2]" 1
177 1 21 LYS HA 1 24 PHE H 3.430 . 3.430 3.397 3.295 3.510 0.080 16 0 "[ . 1 . 2]" 1
178 1 21 LYS HA 1 24 PHE QB . . 3.950 2.682 2.458 2.924 . 0 0 "[ . 1 . 2]" 1
179 1 21 LYS HA 1 74 PHE QE 3.460 . 3.460 3.086 2.315 3.600 0.140 7 0 "[ . 1 . 2]" 1
180 1 21 LYS QB 1 22 ALA H 3.550 . 3.550 2.566 2.450 2.648 . 0 0 "[ . 1 . 2]" 1
181 1 21 LYS QG 1 22 ALA H 4.150 . 4.150 3.816 3.298 4.316 0.166 13 0 "[ . 1 . 2]" 1
182 1 22 ALA H 1 22 ALA HA 2.970 . 2.970 2.819 2.807 2.831 . 0 0 "[ . 1 . 2]" 1
183 1 22 ALA H 1 22 ALA MB 2.600 . 2.600 2.152 2.023 2.235 . 0 0 "[ . 1 . 2]" 1
184 1 22 ALA HA 1 25 ASP QB 3.510 . 3.510 2.942 2.720 3.131 . 0 0 "[ . 1 . 2]" 1
185 1 22 ALA MB 1 26 ILE MD 3.210 . 3.210 3.246 3.071 3.458 0.248 10 0 "[ . 1 . 2]" 1
186 1 22 ALA MB 2 14 LEU QD 6.000 . 6.000 5.270 3.965 5.960 . 0 0 "[ . 1 . 2]" 1
187 1 22 ALA MB 2 15 LEU QD 6.000 . 6.000 3.756 3.015 4.705 . 0 0 "[ . 1 . 2]" 1
188 1 23 ALA HA 1 26 ILE MD 3.240 . 3.240 2.629 2.218 3.045 . 0 0 "[ . 1 . 2]" 1
189 1 23 ALA HA 1 27 PHE H 3.900 . 3.900 3.989 3.872 4.190 0.290 14 0 "[ . 1 . 2]" 1
190 1 23 ALA HA 2 14 LEU QD 6.000 . 6.000 3.497 2.232 4.684 . 0 0 "[ . 1 . 2]" 1
191 1 23 ALA HA 2 15 LEU QD 6.000 . 6.000 4.655 3.201 6.058 0.058 16 0 "[ . 1 . 2]" 1
192 1 23 ALA MB 1 24 PHE H 3.860 . 3.860 2.608 2.495 2.719 . 0 0 "[ . 1 . 2]" 1
193 1 23 ALA MB 2 11 MET HA 6.000 . 6.000 5.800 4.595 6.216 0.216 18 0 "[ . 1 . 2]" 1
194 1 23 ALA MB 2 11 MET ME 6.000 . 6.000 5.143 2.509 6.094 0.094 13 0 "[ . 1 . 2]" 1
195 1 23 ALA MB 2 14 LEU QD 6.000 . 6.000 2.403 1.918 3.468 . 0 0 "[ . 1 . 2]" 1
196 1 23 ALA MB 2 15 LEU QD 6.000 . 6.000 4.030 2.537 5.820 . 0 0 "[ . 1 . 2]" 1
197 1 24 PHE H 1 24 PHE QB 3.800 . 3.800 2.254 2.225 2.272 . 0 0 "[ . 1 . 2]" 1
198 1 24 PHE H 1 25 ASP H . . 3.700 2.728 2.663 2.787 . 0 0 "[ . 1 . 2]" 1
199 1 24 PHE HA 1 25 ASP H 4.420 . 4.420 3.554 3.525 3.566 . 0 0 "[ . 1 . 2]" 1
200 1 24 PHE HA 1 27 PHE H 4.640 . 4.640 3.375 3.284 3.513 . 0 0 "[ . 1 . 2]" 1
201 1 24 PHE QB 1 24 PHE QE 4.500 . 4.500 3.965 3.960 3.971 . 0 0 "[ . 1 . 2]" 1
202 1 24 PHE QB 1 25 ASP H 3.560 . 3.560 2.492 2.406 2.703 . 0 0 "[ . 1 . 2]" 1
203 1 24 PHE QD 1 35 CYS HA 3.650 . 3.650 3.017 2.344 3.656 0.006 4 0 "[ . 1 . 2]" 1
204 1 24 PHE QD 1 36 ILE H 4.670 . 4.670 4.035 3.170 4.680 0.010 18 0 "[ . 1 . 2]" 1
205 1 24 PHE QD 1 73 ASP HA 3.690 . 3.690 3.426 2.762 3.796 0.106 3 0 "[ . 1 . 2]" 1
206 1 24 PHE QE 1 35 CYS HA 4.440 . 4.440 4.045 3.581 4.520 0.080 7 0 "[ . 1 . 2]" 1
207 1 24 PHE QE 1 36 ILE H 4.730 . 4.730 4.195 3.327 4.807 0.077 7 0 "[ . 1 . 2]" 1
208 1 24 PHE QE 1 73 ASP HA 4.530 . 4.530 3.702 2.979 4.572 0.042 14 0 "[ . 1 . 2]" 1
209 1 25 ASP H 1 25 ASP HA 3.060 . 3.060 2.810 2.799 2.823 . 0 0 "[ . 1 . 2]" 1
210 1 25 ASP H 1 25 ASP QB 3.100 . 3.100 2.304 2.225 2.385 . 0 0 "[ . 1 . 2]" 1
211 1 25 ASP H 1 26 ILE H . . 3.430 2.723 2.631 2.788 . 0 0 "[ . 1 . 2]" 1
212 1 25 ASP HA 1 26 ILE H 3.970 . 3.970 3.551 3.515 3.566 . 0 0 "[ . 1 . 2]" 1
213 1 25 ASP HA 1 28 VAL QG 3.020 . 3.020 2.213 2.120 2.592 . 0 0 "[ . 1 . 2]" 1
214 1 25 ASP QB 1 26 ILE H 3.870 . 3.870 2.571 2.456 2.739 . 0 0 "[ . 1 . 2]" 1
215 1 26 ILE H 1 26 ILE MD 3.700 . 3.700 3.277 1.820 3.482 . 0 0 "[ . 1 . 2]" 1
216 1 26 ILE H 1 26 ILE QG 3.340 . 3.340 2.315 1.732 3.460 0.120 13 0 "[ . 1 . 2]" 1
217 1 26 ILE H 1 26 ILE MG 3.360 . 3.360 3.643 2.536 3.758 0.398 14 0 "[ . 1 . 2]" 1
218 1 26 ILE H 1 27 PHE H . . 3.150 2.549 2.369 2.646 . 0 0 "[ . 1 . 2]" 1
219 1 26 ILE H 1 28 VAL H 4.430 . 4.430 4.166 4.040 4.291 . 0 0 "[ . 1 . 2]" 1
220 1 26 ILE HA 1 26 ILE MD 3.640 . 3.640 3.745 2.901 4.060 0.420 10 0 "[ . 1 . 2]" 1
221 1 26 ILE HA 1 26 ILE MD 3.090 . 3.090 2.300 2.210 2.393 . 0 0 "[ . 1 . 2]" 1
222 1 26 ILE HA 1 26 ILE QG 3.700 . 3.700 2.383 2.200 3.259 . 0 0 "[ . 1 . 2]" 1
223 1 26 ILE HA 1 26 ILE MG 3.610 . 3.610 2.326 2.235 2.549 . 0 0 "[ . 1 . 2]" 1
224 1 26 ILE HA 1 27 PHE H 4.890 . 4.890 3.535 3.447 3.554 . 0 0 "[ . 1 . 2]" 1
225 1 26 ILE HA 1 29 LEU H 3.950 . 3.950 4.019 3.912 4.152 0.202 15 0 "[ . 1 . 2]" 1
226 1 26 ILE HA 1 29 LEU QB 3.560 . 3.560 3.481 3.014 3.759 0.199 8 0 "[ . 1 . 2]" 1
227 1 26 ILE HB 1 26 ILE MD . . 3.120 2.278 2.143 2.336 . 0 0 "[ . 1 . 2]" 1
228 1 26 ILE HB 1 27 PHE H 3.950 . 3.950 2.715 2.557 4.000 0.050 10 0 "[ . 1 . 2]" 1
229 1 27 PHE H 1 27 PHE QB 3.490 . 3.490 2.110 2.036 2.200 . 0 0 "[ . 1 . 2]" 1
230 1 27 PHE H 1 28 VAL H . . 3.820 2.767 2.661 2.855 . 0 0 "[ . 1 . 2]" 1
231 1 27 PHE QB 1 28 VAL H 4.230 . 4.230 2.699 2.599 2.793 . 0 0 "[ . 1 . 2]" 1
232 1 28 VAL H 1 28 VAL HB 4.180 . 4.180 3.629 3.592 3.681 . 0 0 "[ . 1 . 2]" 1
233 1 28 VAL H 1 28 VAL QG . . 3.220 1.804 1.750 2.000 0.050 9 0 "[ . 1 . 2]" 1
234 1 28 VAL H 1 29 LEU H 3.200 . 3.200 2.900 2.813 2.995 . 0 0 "[ . 1 . 2]" 1
235 1 28 VAL HA 1 31 ALA H 3.250 . 3.250 3.279 2.751 3.598 0.348 14 0 "[ . 1 . 2]" 1
236 1 28 VAL HA 1 31 ALA MB 3.210 . 3.210 2.373 2.197 2.776 . 0 0 "[ . 1 . 2]" 1
237 1 28 VAL HB 1 31 ALA H 4.680 . 4.680 3.276 2.960 3.622 . 0 0 "[ . 1 . 2]" 1
238 1 28 VAL HB 1 31 ALA MB 3.060 . 3.060 2.292 2.085 2.631 . 0 0 "[ . 1 . 2]" 1
239 1 28 VAL HB 1 34 GLY QA 4.510 . 4.510 2.874 2.311 3.516 . 0 0 "[ . 1 . 2]" 1
240 1 28 VAL HB 1 35 CYS H 4.510 . 4.510 4.252 3.486 4.601 0.091 19 0 "[ . 1 . 2]" 1
241 1 28 VAL QG 1 29 LEU H 4.010 . 4.010 3.297 3.125 3.403 . 0 0 "[ . 1 . 2]" 1
242 1 28 VAL QG 1 31 ALA H 4.860 . 4.860 3.731 3.363 3.933 . 0 0 "[ . 1 . 2]" 1
243 1 28 VAL QG 1 31 ALA MB 3.870 . 3.870 2.620 2.226 2.905 . 0 0 "[ . 1 . 2]" 1
244 1 28 VAL QG 1 34 GLY QA 4.310 . 4.310 2.536 2.065 3.682 . 0 0 "[ . 1 . 2]" 1
245 1 28 VAL QG 1 35 CYS H 4.560 . 4.560 3.466 3.176 3.992 . 0 0 "[ . 1 . 2]" 1
246 1 28 VAL QG 1 35 CYS HA 3.720 . 3.720 3.274 2.695 3.791 0.071 13 0 "[ . 1 . 2]" 1
247 1 28 VAL QG 1 36 ILE H 4.690 . 4.690 3.796 3.228 4.273 . 0 0 "[ . 1 . 2]" 1
248 1 29 LEU H 1 29 LEU HA 3.040 . 3.040 2.740 2.672 2.809 . 0 0 "[ . 1 . 2]" 1
249 1 29 LEU H 1 29 LEU QB 2.860 . 2.860 2.499 2.424 2.589 . 0 0 "[ . 1 . 2]" 1
250 1 29 LEU H 1 29 LEU QD 3.990 . 3.990 2.595 1.866 2.910 . 0 0 "[ . 1 . 2]" 1
251 1 29 LEU H 1 29 LEU HG 2.860 . 2.860 2.208 1.792 2.567 0.008 1 0 "[ . 1 . 2]" 1
252 1 29 LEU H 1 30 GLY H 4.170 . 4.170 3.116 2.670 4.322 0.152 14 0 "[ . 1 . 2]" 1
253 1 29 LEU H 1 31 ALA H 5.060 . 5.060 4.161 3.762 4.610 . 0 0 "[ . 1 . 2]" 1
254 1 29 LEU HA 1 29 LEU QD 3.000 . 3.000 3.380 3.325 3.427 0.427 14 0 "[ . 1 . 2]" 1
255 1 29 LEU QB 1 30 GLY H . . 4.500 3.534 3.312 3.866 . 0 0 "[ . 1 . 2]" 1
256 1 29 LEU QD 1 30 GLY H 4.480 . 4.480 2.854 2.347 4.457 . 0 0 "[ . 1 . 2]" 1
257 1 29 LEU QD 1 43 LYS H 4.810 . 4.810 4.947 4.707 5.127 0.317 10 0 "[ . 1 . 2]" 1
258 1 30 GLY H 1 30 GLY QA 2.680 . 2.680 2.321 2.195 2.467 . 0 0 "[ . 1 . 2]" 1
259 1 30 GLY H 1 31 ALA H 3.160 . 3.160 2.470 2.112 2.741 . 0 0 "[ . 1 . 2]" 1
260 1 30 GLY QA 1 31 ALA H 3.250 . 3.250 2.865 2.625 2.924 . 0 0 "[ . 1 . 2]" 1
261 1 31 ALA H 1 31 ALA HA 3.120 . 3.120 2.929 2.743 2.966 . 0 0 "[ . 1 . 2]" 1
262 1 31 ALA H 1 31 ALA MB 2.580 . 2.580 2.369 2.061 2.545 . 0 0 "[ . 1 . 2]" 1
263 1 31 ALA H 1 32 GLU H 4.560 . 4.560 4.128 3.696 4.568 0.008 19 0 "[ . 1 . 2]" 1
264 1 31 ALA H 1 34 GLY H 4.930 . 4.930 4.953 4.562 5.129 0.199 15 0 "[ . 1 . 2]" 1
265 1 31 ALA HA 1 32 GLU H 2.710 . 2.710 2.182 2.138 2.264 . 0 0 "[ . 1 . 2]" 1
266 1 31 ALA HA 1 33 ASP H 4.280 . 4.280 3.460 3.121 4.031 . 0 0 "[ . 1 . 2]" 1
267 1 31 ALA MB 1 32 GLU H 3.490 . 3.490 3.391 3.007 3.610 0.120 7 0 "[ . 1 . 2]" 1
268 1 31 ALA MB 1 33 ASP H 3.480 . 3.480 3.181 2.652 3.567 0.087 16 0 "[ . 1 . 2]" 1
269 1 31 ALA MB 1 34 GLY H 3.330 . 3.330 2.541 2.207 2.969 . 0 0 "[ . 1 . 2]" 1
270 1 31 ALA MB 1 34 GLY QA . . 4.420 3.186 2.284 3.918 . 0 0 "[ . 1 . 2]" 1
271 1 31 ALA MB 1 35 CYS H 3.180 . 3.180 2.541 2.067 2.952 . 0 0 "[ . 1 . 2]" 1
272 1 32 GLU H 1 32 GLU QB 2.930 . 2.930 2.359 2.079 2.639 . 0 0 "[ . 1 . 2]" 1
273 1 32 GLU H 1 32 GLU QG 4.050 . 4.050 2.727 1.858 3.959 . 0 0 "[ . 1 . 2]" 1
274 1 32 GLU H 1 33 ASP H . . 3.430 2.487 2.287 2.648 . 0 0 "[ . 1 . 2]" 1
275 1 32 GLU HA 1 32 GLU QB . . 2.660 2.353 2.178 2.536 . 0 0 "[ . 1 . 2]" 1
276 1 32 GLU HA 1 32 GLU QG 3.360 . 3.360 2.615 2.274 3.397 0.037 4 0 "[ . 1 . 2]" 1
277 1 32 GLU HA 1 33 ASP H 3.190 . 3.190 3.425 3.339 3.508 0.318 3 0 "[ . 1 . 2]" 1
278 1 32 GLU QB 1 32 GLU QG 2.240 . 2.240 2.077 2.021 2.108 . 0 0 "[ . 1 . 2]" 1
279 1 32 GLU QB 1 33 ASP H 3.350 . 3.350 3.056 2.500 3.617 0.267 17 0 "[ . 1 . 2]" 1
280 1 32 GLU QG 1 33 ASP H 4.640 . 4.640 3.724 1.968 4.665 0.025 6 0 "[ . 1 . 2]" 1
281 1 33 ASP H 1 33 ASP HA 2.980 . 2.980 2.874 2.843 2.929 . 0 0 "[ . 1 . 2]" 1
282 1 33 ASP H 1 33 ASP QB . . 3.530 2.421 2.248 2.777 . 0 0 "[ . 1 . 2]" 1
283 1 33 ASP H 1 34 GLY H 3.030 . 3.030 2.472 2.277 2.574 . 0 0 "[ . 1 . 2]" 1
284 1 33 ASP H 1 34 GLY QA 4.590 . 4.590 4.409 4.239 4.496 . 0 0 "[ . 1 . 2]" 1
285 1 33 ASP H 1 35 CYS H . . 4.150 3.723 3.387 3.917 . 0 0 "[ . 1 . 2]" 1
286 1 33 ASP HA 1 34 GLY H 3.450 . 3.450 3.418 3.345 3.457 0.007 15 0 "[ . 1 . 2]" 1
287 1 34 GLY H 1 35 CYS H . . 2.200 2.355 2.294 2.448 0.248 19 0 "[ . 1 . 2]" 1
288 1 34 GLY QA 1 35 CYS H . . 3.480 2.884 2.848 2.915 . 0 0 "[ . 1 . 2]" 1
289 1 35 CYS H 1 35 CYS QB 3.200 . 3.200 2.627 2.424 3.065 . 0 0 "[ . 1 . 2]" 1
290 1 35 CYS HA 1 36 ILE H 3.290 . 3.290 2.316 2.207 2.494 . 0 0 "[ . 1 . 2]" 1
291 1 35 CYS QB 1 36 ILE H . . 3.620 2.684 2.232 2.975 . 0 0 "[ . 1 . 2]" 1
292 1 35 CYS QB 1 71 THR HB . . 3.520 3.032 2.446 3.531 0.011 13 0 "[ . 1 . 2]" 1
293 1 35 CYS QB 1 72 VAL H . . 4.420 4.127 3.220 4.510 0.090 11 0 "[ . 1 . 2]" 1
294 1 36 ILE H 1 36 ILE HB 3.520 . 3.520 2.557 2.411 2.867 . 0 0 "[ . 1 . 2]" 1
295 1 36 ILE H 1 36 ILE QG 3.780 . 3.780 2.473 1.872 3.018 . 0 0 "[ . 1 . 2]" 1
296 1 36 ILE H 1 71 THR HB 4.430 . 4.430 3.957 3.200 4.467 0.037 1 0 "[ . 1 . 2]" 1
297 1 36 ILE H 1 72 VAL H 3.860 . 3.860 3.251 2.899 3.789 . 0 0 "[ . 1 . 2]" 1
298 1 36 ILE H 1 72 VAL HB 4.230 . 4.230 3.826 3.116 4.125 . 0 0 "[ . 1 . 2]" 1
299 1 36 ILE HA 1 37 SER H 3.060 . 3.060 2.126 2.105 2.146 . 0 0 "[ . 1 . 2]" 1
300 1 36 ILE HA 1 40 GLU H 4.370 . 4.370 4.556 4.374 4.780 0.410 13 0 "[ . 1 . 2]" 1
301 1 36 ILE HB 1 72 VAL H 3.930 . 3.930 3.118 2.660 3.685 . 0 0 "[ . 1 . 2]" 1
302 1 36 ILE HB 1 72 VAL HB . . 3.270 2.286 2.214 2.329 . 0 0 "[ . 1 . 2]" 1
303 1 36 ILE MD 1 36 ILE MG 3.130 . 3.130 2.035 1.797 3.106 0.003 4 0 "[ . 1 . 2]" 1
304 1 36 ILE MG 1 37 SER H 4.130 . 4.130 2.661 2.344 2.914 . 0 0 "[ . 1 . 2]" 1
305 1 36 ILE MG 1 37 SER HA 4.280 . 4.280 3.756 3.456 4.245 . 0 0 "[ . 1 . 2]" 1
306 1 36 ILE MG 1 40 GLU H 4.640 . 4.640 4.142 3.870 4.520 . 0 0 "[ . 1 . 2]" 1
307 1 36 ILE MG 1 41 LEU H 3.590 . 3.590 3.374 2.786 3.617 0.027 10 0 "[ . 1 . 2]" 1
308 1 36 ILE MG 1 41 LEU QB 3.660 . 3.660 3.599 2.389 3.896 0.236 12 0 "[ . 1 . 2]" 1
309 1 37 SER H 1 40 GLU H . . 4.110 2.944 2.753 3.098 . 0 0 "[ . 1 . 2]" 1
310 1 37 SER H 1 40 GLU QB 4.180 . 4.180 2.304 1.844 2.637 . 0 0 "[ . 1 . 2]" 1
311 1 37 SER HA 1 38 THR H 3.280 . 3.280 2.716 2.570 2.774 . 0 0 "[ . 1 . 2]" 1
312 1 37 SER HA 1 39 LYS H 4.700 . 4.700 4.405 4.215 4.618 . 0 0 "[ . 1 . 2]" 1
313 1 37 SER HA 1 71 THR MG . . 4.180 3.072 2.338 4.148 . 0 0 "[ . 1 . 2]" 1
314 1 37 SER QB 1 38 THR H 3.170 . 3.170 2.235 1.863 3.047 . 0 0 "[ . 1 . 2]" 1
315 1 37 SER QB 1 39 LYS H . . 3.810 2.850 2.342 3.328 . 0 0 "[ . 1 . 2]" 1
316 1 38 THR H 1 38 THR HB 3.430 . 3.430 3.565 3.554 3.578 0.148 12 0 "[ . 1 . 2]" 1
317 1 38 THR H 1 38 THR MG 3.210 . 3.210 2.125 2.001 2.289 . 0 0 "[ . 1 . 2]" 1
318 1 38 THR H 1 39 LYS H 3.360 . 3.360 2.615 2.569 2.695 . 0 0 "[ . 1 . 2]" 1
319 1 38 THR H 1 61 ILE MD 3.790 . 3.790 3.084 2.649 3.360 . 0 0 "[ . 1 . 2]" 1
320 1 38 THR HA 1 38 THR HB 3.130 . 3.130 2.472 2.451 2.502 . 0 0 "[ . 1 . 2]" 1
321 1 38 THR HA 1 38 THR MG 2.910 . 2.910 2.327 2.256 2.431 . 0 0 "[ . 1 . 2]" 1
322 1 38 THR HA 1 39 LYS H 4.200 . 4.200 3.501 3.454 3.547 . 0 0 "[ . 1 . 2]" 1
323 1 38 THR HA 1 41 LEU H 4.140 . 4.140 3.486 3.274 3.802 . 0 0 "[ . 1 . 2]" 1
324 1 38 THR HA 1 41 LEU QB 3.550 . 3.550 2.471 2.212 2.938 . 0 0 "[ . 1 . 2]" 1
325 1 38 THR HA 1 41 LEU QD 3.880 . 3.880 3.319 2.686 3.993 0.113 17 0 "[ . 1 . 2]" 1
326 1 38 THR HA 1 61 ILE MD 3.480 . 3.480 2.497 2.222 2.769 . 0 0 "[ . 1 . 2]" 1
327 1 38 THR HA 1 61 ILE MD 3.770 . 3.770 2.828 2.482 3.151 . 0 0 "[ . 1 . 2]" 1
328 1 38 THR HB 1 57 LEU QD 3.670 . 3.670 2.730 2.383 3.777 0.107 12 0 "[ . 1 . 2]" 1
329 1 38 THR MG 1 57 LEU HA 4.330 . 4.330 4.233 4.032 4.418 0.088 9 0 "[ . 1 . 2]" 1
330 1 38 THR MG 1 58 GLN HA 3.640 . 3.640 2.625 2.298 2.856 . 0 0 "[ . 1 . 2]" 1
331 1 38 THR MG 1 61 ILE HB 3.950 . 3.950 3.966 3.612 4.098 0.148 13 0 "[ . 1 . 2]" 1
332 1 38 THR MG 1 61 ILE MD . . 3.470 2.038 1.899 2.169 . 0 0 "[ . 1 . 2]" 1
333 1 38 THR MG 1 61 ILE QG 3.550 . 3.550 3.501 3.273 3.684 0.134 8 0 "[ . 1 . 2]" 1
334 1 39 LYS H 1 39 LYS HA 3.130 . 3.130 2.834 2.814 2.889 . 0 0 "[ . 1 . 2]" 1
335 1 39 LYS H 1 39 LYS QB 3.020 . 3.020 2.291 2.071 2.440 . 0 0 "[ . 1 . 2]" 1
336 1 39 LYS H 1 39 LYS QG . . 4.000 2.979 2.111 4.020 0.020 14 0 "[ . 1 . 2]" 1
337 1 39 LYS H 1 40 GLU H . . 3.210 2.723 2.523 2.829 . 0 0 "[ . 1 . 2]" 1
338 1 39 LYS HA 1 39 LYS QG . . 3.890 2.383 2.259 3.293 . 0 0 "[ . 1 . 2]" 1
339 1 39 LYS HA 1 40 GLU H 4.130 . 4.130 3.578 3.560 3.604 . 0 0 "[ . 1 . 2]" 1
340 1 39 LYS QB 1 40 GLU H 3.790 . 3.790 2.466 2.066 3.395 . 0 0 "[ . 1 . 2]" 1
341 1 39 LYS QD 1 39 LYS QE 2.430 . 2.430 2.060 1.952 2.111 . 0 0 "[ . 1 . 2]" 1
342 1 39 LYS QD 1 39 LYS QG . . 2.200 2.089 2.027 2.112 . 0 0 "[ . 1 . 2]" 1
343 1 40 GLU H 1 40 GLU QB 3.380 . 3.380 2.295 2.116 2.394 . 0 0 "[ . 1 . 2]" 1
344 1 40 GLU H 1 41 LEU H 3.330 . 3.330 2.591 2.355 2.678 . 0 0 "[ . 1 . 2]" 1
345 1 40 GLU HA 1 43 LYS H 3.860 . 3.860 3.537 3.380 3.894 0.034 18 0 "[ . 1 . 2]" 1
346 1 40 GLU QB 1 41 LEU H 3.970 . 3.970 2.575 2.456 2.747 . 0 0 "[ . 1 . 2]" 1
347 1 40 GLU QB 1 41 LEU QD 4.050 . 4.050 3.592 2.725 4.334 0.284 14 0 "[ . 1 . 2]" 1
348 1 41 LEU H 1 41 LEU QB . . 3.290 2.144 2.034 2.356 . 0 0 "[ . 1 . 2]" 1
349 1 41 LEU H 1 41 LEU QD 4.160 . 4.160 2.990 2.241 3.545 . 0 0 "[ . 1 . 2]" 1
350 1 41 LEU H 1 41 LEU HG 4.220 . 4.220 3.800 2.319 4.441 0.221 13 0 "[ . 1 . 2]" 1
351 1 41 LEU H 1 42 GLY H 3.500 . 3.500 2.600 2.511 2.699 . 0 0 "[ . 1 . 2]" 1
352 1 41 LEU HA 1 41 LEU QD 3.780 . 3.780 2.152 1.933 2.316 . 0 0 "[ . 1 . 2]" 1
353 1 41 LEU HA 1 42 GLY H 4.190 . 4.190 3.491 3.363 3.534 . 0 0 "[ . 1 . 2]" 1
354 1 41 LEU HA 1 44 VAL H 3.800 . 3.800 3.296 2.995 3.517 . 0 0 "[ . 1 . 2]" 1
355 1 41 LEU QB 1 42 GLY H 3.680 . 3.680 2.814 2.600 3.182 . 0 0 "[ . 1 . 2]" 1
356 1 42 GLY H 1 43 LYS H 3.230 . 3.230 2.713 2.656 2.765 . 0 0 "[ . 1 . 2]" 1
357 1 42 GLY H 1 43 LYS QB 4.630 . 4.630 4.567 4.390 4.705 0.075 8 0 "[ . 1 . 2]" 1
358 1 42 GLY H 1 57 LEU QD 3.880 . 3.880 3.433 2.855 4.013 0.133 7 0 "[ . 1 . 2]" 1
359 1 42 GLY QA 1 43 LYS H 3.710 . 3.710 2.744 2.707 2.777 . 0 0 "[ . 1 . 2]" 1
360 1 42 GLY QA 1 57 LEU QD 3.600 . 3.600 2.587 2.094 3.010 . 0 0 "[ . 1 . 2]" 1
361 1 43 LYS H 1 43 LYS HA 2.950 . 2.950 2.847 2.812 2.906 . 0 0 "[ . 1 . 2]" 1
362 1 43 LYS H 1 43 LYS QB 2.560 . 2.560 2.243 2.049 2.352 . 0 0 "[ . 1 . 2]" 1
363 1 43 LYS H 1 43 LYS QD 4.200 . 4.200 3.397 1.831 4.421 0.221 16 0 "[ . 1 . 2]" 1
364 1 43 LYS H 1 43 LYS QG 3.650 . 3.650 3.050 2.238 3.949 0.299 16 0 "[ . 1 . 2]" 1
365 1 43 LYS H 1 44 VAL H 3.190 . 3.190 2.549 2.330 2.667 . 0 0 "[ . 1 . 2]" 1
366 1 43 LYS H 1 44 VAL HB 4.270 . 4.270 4.597 4.452 4.681 0.411 12 0 "[ . 1 . 2]" 1
367 1 43 LYS H 1 44 VAL QG 4.690 . 4.690 4.040 3.794 4.217 . 0 0 "[ . 1 . 2]" 1
368 1 43 LYS H 1 45 MET H 4.600 . 4.600 4.110 4.031 4.265 . 0 0 "[ . 1 . 2]" 1
369 1 43 LYS HA 1 43 LYS QB . . 2.610 2.443 2.361 2.537 . 0 0 "[ . 1 . 2]" 1
370 1 43 LYS HA 1 43 LYS QG 3.770 . 3.770 2.335 2.161 2.575 . 0 0 "[ . 1 . 2]" 1
371 1 43 LYS HA 1 44 VAL H 4.000 . 4.000 3.524 3.509 3.543 . 0 0 "[ . 1 . 2]" 1
372 1 43 LYS QB 1 43 LYS QD 3.130 . 3.130 2.216 2.107 2.366 . 0 0 "[ . 1 . 2]" 1
373 1 43 LYS QB 1 43 LYS QE 4.440 . 4.440 3.407 2.291 3.809 . 0 0 "[ . 1 . 2]" 1
374 1 43 LYS QB 1 44 VAL H 3.070 . 3.070 2.609 2.505 2.711 . 0 0 "[ . 1 . 2]" 1
375 1 43 LYS QG 1 44 VAL H 4.660 . 4.660 4.198 3.665 4.559 . 0 0 "[ . 1 . 2]" 1
376 1 44 VAL H 1 44 VAL HB 2.880 . 2.880 2.383 2.358 2.446 . 0 0 "[ . 1 . 2]" 1
377 1 44 VAL H 1 44 VAL QG 2.940 . 2.940 2.229 2.148 2.351 . 0 0 "[ . 1 . 2]" 1
378 1 44 VAL H 1 45 MET H . . 3.290 2.675 2.587 2.723 . 0 0 "[ . 1 . 2]" 1
379 1 44 VAL HA 1 45 MET H 3.960 . 3.960 3.549 3.529 3.565 . 0 0 "[ . 1 . 2]" 1
380 1 44 VAL HA 1 46 ARG H 4.380 . 4.380 4.300 3.523 4.433 0.053 17 0 "[ . 1 . 2]" 1
381 1 44 VAL HA 1 47 MET H 3.610 . 3.610 3.550 3.416 3.670 0.060 1 0 "[ . 1 . 2]" 1
382 1 44 VAL HB 1 45 MET H 3.220 . 3.220 2.499 2.409 2.622 . 0 0 "[ . 1 . 2]" 1
383 1 44 VAL HB 1 45 MET HA 3.980 . 3.980 4.278 4.190 4.323 0.343 12 0 "[ . 1 . 2]" 1
384 1 44 VAL QG 1 45 MET H 4.000 . 4.000 3.098 3.021 3.174 . 0 0 "[ . 1 . 2]" 1
385 1 44 VAL QG 2 7 ALA MB 6.000 . 6.000 4.145 2.890 5.072 . 0 0 "[ . 1 . 2]" 1
386 1 44 VAL QG 2 14 LEU QD 6.000 . 6.000 3.897 2.734 5.456 . 0 0 "[ . 1 . 2]" 1
387 1 45 MET H 1 45 MET QB 3.240 . 3.240 2.341 2.233 2.434 . 0 0 "[ . 1 . 2]" 1
388 1 45 MET H 1 45 MET QG 3.090 . 3.090 2.392 2.170 3.322 0.232 9 0 "[ . 1 . 2]" 1
389 1 45 MET H 1 46 ARG H 3.250 . 3.250 2.679 2.585 2.748 . 0 0 "[ . 1 . 2]" 1
390 1 45 MET H 1 47 MET H 4.770 . 4.770 4.256 4.161 4.515 . 0 0 "[ . 1 . 2]" 1
391 1 45 MET H 1 48 LEU QD 4.630 . 4.630 4.330 4.034 4.709 0.079 20 0 "[ . 1 . 2]" 1
392 1 45 MET HA 1 45 MET QG . . 3.830 2.614 2.233 3.299 . 0 0 "[ . 1 . 2]" 1
393 1 45 MET HA 1 46 ARG H 3.700 . 3.700 3.521 3.421 3.543 . 0 0 "[ . 1 . 2]" 1
394 1 45 MET HA 1 48 LEU HG 3.600 . 3.600 3.423 3.039 3.624 0.024 17 0 "[ . 1 . 2]" 1
395 1 45 MET ME 2 3 VAL MG2 6.000 . 6.000 3.959 2.760 5.055 . 0 0 "[ . 1 . 2]" 1
396 1 45 MET ME 2 5 ILE MD 6.000 . 6.000 3.332 2.165 5.307 . 0 0 "[ . 1 . 2]" 1
397 1 45 MET ME 2 14 LEU QD 6.000 . 6.000 4.945 3.507 5.488 . 0 0 "[ . 1 . 2]" 1
398 1 45 MET QG 1 46 ARG H 4.400 . 4.400 4.112 2.136 4.502 0.102 9 0 "[ . 1 . 2]" 1
399 1 46 ARG H 1 46 ARG QB 2.590 . 2.590 2.259 2.070 2.400 . 0 0 "[ . 1 . 2]" 1
400 1 46 ARG H 1 47 MET H . . 3.110 2.710 2.647 2.777 . 0 0 "[ . 1 . 2]" 1
401 1 46 ARG H 1 48 LEU H . . 4.330 4.098 3.931 4.223 . 0 0 "[ . 1 . 2]" 1
402 1 46 ARG HA 1 46 ARG QD . . 4.480 3.536 2.135 4.157 . 0 0 "[ . 1 . 2]" 1
403 1 46 ARG HA 1 47 MET H 4.120 . 4.120 3.542 3.521 3.559 . 0 0 "[ . 1 . 2]" 1
404 1 46 ARG HA 1 48 LEU H 4.830 . 4.830 4.265 3.947 4.380 . 0 0 "[ . 1 . 2]" 1
405 1 46 ARG HA 1 49 GLY H 3.860 . 3.860 3.441 3.262 3.615 . 0 0 "[ . 1 . 2]" 1
406 1 46 ARG HA 1 50 GLN H 3.410 . 3.410 3.373 3.166 3.511 0.101 3 0 "[ . 1 . 2]" 1
407 1 46 ARG QB 1 46 ARG QD 3.010 . 3.010 2.213 2.100 2.333 . 0 0 "[ . 1 . 2]" 1
408 1 46 ARG QB 1 47 MET H 3.220 . 3.220 2.574 2.469 2.682 . 0 0 "[ . 1 . 2]" 1
409 1 47 MET H 1 47 MET HA 3.040 . 3.040 2.822 2.803 2.868 . 0 0 "[ . 1 . 2]" 1
410 1 47 MET H 1 47 MET QB 2.970 . 2.970 2.296 2.153 2.388 . 0 0 "[ . 1 . 2]" 1
411 1 47 MET H 1 47 MET QG 3.890 . 3.890 3.160 2.174 4.037 0.147 8 0 "[ . 1 . 2]" 1
412 1 47 MET H 1 48 LEU H . . 2.770 2.604 2.466 2.672 . 0 0 "[ . 1 . 2]" 1
413 1 47 MET H 1 48 LEU QD 4.740 . 4.740 4.680 4.503 4.774 0.034 20 0 "[ . 1 . 2]" 1
414 1 47 MET HA 1 47 MET QG 3.750 . 3.750 2.399 2.251 2.780 . 0 0 "[ . 1 . 2]" 1
415 1 47 MET HA 1 48 LEU H 3.310 . 3.310 3.495 3.417 3.512 0.202 7 0 "[ . 1 . 2]" 1
416 1 47 MET QB 1 48 LEU H 3.810 . 3.810 2.642 2.556 3.008 . 0 0 "[ . 1 . 2]" 1
417 1 47 MET QB 1 48 LEU QD 3.840 . 3.840 3.537 3.318 3.740 . 0 0 "[ . 1 . 2]" 1
418 1 47 MET ME 2 17 ALA MB 6.000 . 6.000 4.360 2.507 5.535 . 0 0 "[ . 1 . 2]" 1
419 1 47 MET ME 2 13 ALA MB 6.000 . 6.000 4.226 2.639 5.629 . 0 0 "[ . 1 . 2]" 1
420 1 47 MET QG 2 13 ALA MB 6.000 . 6.000 4.028 2.703 4.962 . 0 0 "[ . 1 . 2]" 1
421 1 48 LEU H 1 48 LEU QD 3.320 . 3.320 3.144 3.100 3.275 . 0 0 "[ . 1 . 2]" 1
422 1 48 LEU H 1 48 LEU HG 2.740 . 2.740 2.298 2.220 2.524 . 0 0 "[ . 1 . 2]" 1
423 1 48 LEU H 1 49 GLY H . . 2.770 2.553 2.413 2.635 . 0 0 "[ . 1 . 2]" 1
424 1 48 LEU H 1 50 GLN H . . 4.020 3.696 3.396 4.006 . 0 0 "[ . 1 . 2]" 1
425 1 48 LEU HA 1 48 LEU QD . . 3.050 2.120 2.087 2.148 . 0 0 "[ . 1 . 2]" 1
426 1 48 LEU HA 1 49 GLY H 3.620 . 3.620 3.385 3.298 3.501 . 0 0 "[ . 1 . 2]" 1
427 1 48 LEU HA 2 5 ILE QG 6.000 . 6.000 6.016 5.785 6.167 0.167 2 0 "[ . 1 . 2]" 1
428 1 48 LEU QB 1 49 GLY H 3.820 . 3.820 3.153 2.816 3.356 . 0 0 "[ . 1 . 2]" 1
429 1 48 LEU QB 1 50 GLN H 3.740 . 3.740 2.945 2.789 3.088 . 0 0 "[ . 1 . 2]" 1
430 1 48 LEU QD 1 49 GLY H 4.440 . 4.440 4.324 4.226 4.392 . 0 0 "[ . 1 . 2]" 1
431 1 48 LEU QD 2 5 ILE QG 6.000 . 6.000 2.884 2.121 3.569 . 0 0 "[ . 1 . 2]" 1
432 1 48 LEU QD 2 7 ALA HA 6.000 . 6.000 3.273 2.396 4.390 . 0 0 "[ . 1 . 2]" 1
433 1 48 LEU QD 2 9 ALA MB 6.000 . 6.000 3.220 2.131 4.605 . 0 0 "[ . 1 . 2]" 1
434 1 48 LEU QD 2 12 GLN QB 6.000 . 6.000 5.316 3.928 5.976 . 0 0 "[ . 1 . 2]" 1
435 1 49 GLY H 1 50 GLN H . . 2.850 2.277 2.069 2.464 . 0 0 "[ . 1 . 2]" 1
436 1 49 GLY H 1 50 GLN QB 4.740 . 4.740 4.479 4.165 4.743 0.003 20 0 "[ . 1 . 2]" 1
437 1 49 GLY H 1 50 GLN QG 4.540 . 4.540 4.110 3.388 4.407 . 0 0 "[ . 1 . 2]" 1
438 1 49 GLY QA 1 50 GLN H 3.560 . 3.560 2.874 2.802 2.921 . 0 0 "[ . 1 . 2]" 1
439 1 50 GLN H 1 50 GLN QB 3.080 . 3.080 2.545 2.398 3.145 0.065 20 0 "[ . 1 . 2]" 1
440 1 50 GLN H 1 51 ASN H 4.390 . 4.390 4.462 4.407 4.527 0.137 11 0 "[ . 1 . 2]" 1
441 1 50 GLN HA 1 50 GLN QB 2.780 . 2.780 2.354 2.187 2.417 . 0 0 "[ . 1 . 2]" 1
442 1 50 GLN HA 1 50 GLN QG 3.360 . 3.360 2.711 2.307 3.298 . 0 0 "[ . 1 . 2]" 1
443 1 50 GLN HA 1 51 ASN H 2.860 . 2.860 2.206 2.153 2.366 . 0 0 "[ . 1 . 2]" 1
444 1 50 GLN QB 1 51 ASN H 3.330 . 3.330 2.903 2.492 3.112 . 0 0 "[ . 1 . 2]" 1
445 1 50 GLN QG 2 5 ILE MD 6.000 . 6.000 3.714 2.456 5.083 . 0 0 "[ . 1 . 2]" 1
446 1 50 GLN QG 2 5 ILE MG 6.000 . 6.000 5.739 4.639 6.062 0.062 12 0 "[ . 1 . 2]" 1
447 1 51 ASN H 1 51 ASN QB . . 3.730 2.754 2.573 3.174 . 0 0 "[ . 1 . 2]" 1
448 1 51 ASN H 1 52 PRO QB 5.170 . 5.170 4.782 4.593 5.332 0.162 20 0 "[ . 1 . 2]" 1
449 1 51 ASN H 1 52 PRO QD . . 4.230 2.864 2.682 3.041 . 0 0 "[ . 1 . 2]" 1
450 1 51 ASN HA 1 52 PRO QD 2.920 . 2.920 2.173 2.136 2.209 . 0 0 "[ . 1 . 2]" 1
451 1 51 ASN HA 1 52 PRO QG 3.820 . 3.820 4.073 4.039 4.105 0.285 12 0 "[ . 1 . 2]" 1
452 1 52 PRO HA 1 53 THR H 2.630 . 2.630 2.686 2.604 2.814 0.184 14 0 "[ . 1 . 2]" 1
453 1 52 PRO QG 1 53 THR H 3.520 . 3.520 3.701 3.620 3.929 0.409 20 0 "[ . 1 . 2]" 1
454 1 52 PRO QG 1 57 LEU QD 3.240 . 3.240 2.263 2.045 2.931 . 0 0 "[ . 1 . 2]" 1
455 1 53 THR H 1 56 GLU QG 3.000 . 3.000 2.684 2.182 3.079 0.079 5 0 "[ . 1 . 2]" 1
456 1 53 THR HA 1 53 THR MG 2.800 . 2.800 2.229 2.155 2.331 . 0 0 "[ . 1 . 2]" 1
457 1 53 THR HB 1 54 PRO QD 3.160 . 3.160 2.288 2.185 2.342 . 0 0 "[ . 1 . 2]" 1
458 1 53 THR HB 1 55 GLU H 3.400 . 3.400 2.637 2.396 2.941 . 0 0 "[ . 1 . 2]" 1
459 1 53 THR MG 1 54 PRO QD 3.070 . 3.070 2.691 2.222 3.166 0.096 3 0 "[ . 1 . 2]" 1
460 1 53 THR MG 1 55 GLU H 4.420 . 4.420 4.243 3.994 4.509 0.089 14 0 "[ . 1 . 2]" 1
461 1 54 PRO HA 1 55 GLU H 4.020 . 4.020 3.537 3.497 3.604 . 0 0 "[ . 1 . 2]" 1
462 1 54 PRO HA 1 57 LEU QD . . 3.300 2.546 2.243 3.055 . 0 0 "[ . 1 . 2]" 1
463 1 54 PRO QB 1 55 GLU H 2.980 . 2.980 2.835 2.461 3.249 0.269 9 0 "[ . 1 . 2]" 1
464 1 54 PRO QD 1 55 GLU H 3.090 . 3.090 2.888 2.707 3.057 . 0 0 "[ . 1 . 2]" 1
465 1 55 GLU H 1 55 GLU HA 3.090 . 3.090 2.816 2.779 2.837 . 0 0 "[ . 1 . 2]" 1
466 1 55 GLU H 1 55 GLU QB 2.980 . 2.980 2.471 2.092 2.781 . 0 0 "[ . 1 . 2]" 1
467 1 55 GLU H 1 55 GLU QG . . 3.440 2.138 1.748 3.883 0.443 15 0 "[ . 1 . 2]" 1
468 1 55 GLU H 1 56 GLU H 3.170 . 3.170 2.686 2.612 2.958 . 0 0 "[ . 1 . 2]" 1
469 1 55 GLU HA 1 55 GLU QG . . 3.050 2.745 2.305 3.287 0.237 20 0 "[ . 1 . 2]" 1
470 1 55 GLU QB 1 56 GLU H 2.990 . 2.990 2.741 2.229 3.405 0.415 13 0 "[ . 1 . 2]" 1
471 1 55 GLU QG 1 56 GLU H 3.390 . 3.390 3.068 1.719 3.890 0.500 16 1 "[ . 1 .+ 2]" 1
472 1 56 GLU H 1 56 GLU HA 3.110 . 3.110 2.852 2.823 2.884 . 0 0 "[ . 1 . 2]" 1
473 1 56 GLU H 1 56 GLU QG 2.720 . 2.720 2.171 1.870 2.505 . 0 0 "[ . 1 . 2]" 1
474 1 56 GLU H 1 57 LEU H 2.930 . 2.930 2.544 2.440 2.634 . 0 0 "[ . 1 . 2]" 1
475 1 56 GLU H 1 57 LEU QD 4.650 . 4.650 4.354 3.378 4.706 0.056 2 0 "[ . 1 . 2]" 1
476 1 56 GLU H 1 58 GLN H 3.820 . 3.820 4.054 3.963 4.145 0.325 20 0 "[ . 1 . 2]" 1
477 1 56 GLU QG 1 57 LEU H 3.560 . 3.560 3.341 1.909 3.936 0.376 16 0 "[ . 1 . 2]" 1
478 1 57 LEU H 1 57 LEU HA 3.140 . 3.140 2.830 2.814 2.850 . 0 0 "[ . 1 . 2]" 1
479 1 57 LEU H 1 57 LEU QD 3.630 . 3.630 2.829 1.804 3.195 . 0 0 "[ . 1 . 2]" 1
480 1 57 LEU H 1 57 LEU HG 3.740 . 3.740 2.696 2.132 3.902 0.162 11 0 "[ . 1 . 2]" 1
481 1 57 LEU H 1 58 GLN H 3.090 . 3.090 2.625 2.563 2.730 . 0 0 "[ . 1 . 2]" 1
482 1 57 LEU HA 1 57 LEU QD . . 3.110 2.202 1.947 2.539 . 0 0 "[ . 1 . 2]" 1
483 1 57 LEU HA 1 58 GLN H 3.380 . 3.380 3.517 3.503 3.536 0.156 13 0 "[ . 1 . 2]" 1
484 1 57 LEU QB 1 58 GLN H 3.910 . 3.910 2.603 2.507 2.677 . 0 0 "[ . 1 . 2]" 1
485 1 57 LEU QD 1 58 GLN H 4.260 . 4.260 4.012 3.700 4.131 . 0 0 "[ . 1 . 2]" 1
486 1 58 GLN H 1 58 GLN QB 2.590 . 2.590 2.271 2.244 2.321 . 0 0 "[ . 1 . 2]" 1
487 1 58 GLN H 1 58 GLN QG 4.120 . 4.120 4.030 3.953 4.072 . 0 0 "[ . 1 . 2]" 1
488 1 58 GLN HA 1 58 GLN QG 3.940 . 3.940 2.590 2.250 2.991 . 0 0 "[ . 1 . 2]" 1
489 1 58 GLN HA 1 59 GLU H 4.090 . 4.090 3.545 3.529 3.555 . 0 0 "[ . 1 . 2]" 1
490 1 58 GLN HA 1 61 ILE H 4.370 . 4.370 3.572 3.340 3.809 . 0 0 "[ . 1 . 2]" 1
491 1 58 GLN HA 1 61 ILE HB . . 3.540 3.056 2.629 3.502 . 0 0 "[ . 1 . 2]" 1
492 1 58 GLN HA 1 61 ILE MD 3.770 . 3.770 2.822 2.313 3.494 . 0 0 "[ . 1 . 2]" 1
493 1 58 GLN HA 1 62 ASP H 4.610 . 4.610 4.213 3.967 4.428 . 0 0 "[ . 1 . 2]" 1
494 1 58 GLN QE 1 70 GLY H 5.010 . 5.010 4.497 3.745 5.205 0.195 20 0 "[ . 1 . 2]" 1
495 1 58 GLN QG 1 62 ASP H 4.530 . 4.530 4.237 3.742 4.732 0.202 1 0 "[ . 1 . 2]" 1
496 1 59 GLU H 1 59 GLU HA 2.950 . 2.950 2.821 2.797 2.862 . 0 0 "[ . 1 . 2]" 1
497 1 59 GLU H 1 59 GLU QB 2.670 . 2.670 2.306 2.179 2.602 . 0 0 "[ . 1 . 2]" 1
498 1 59 GLU H 1 59 GLU QG 3.700 . 3.700 3.089 1.812 4.027 0.327 1 0 "[ . 1 . 2]" 1
499 1 59 GLU H 1 60 MET H 3.160 . 3.160 2.658 2.497 2.753 . 0 0 "[ . 1 . 2]" 1
500 1 59 GLU H 1 61 ILE H 5.320 . 5.320 4.270 4.176 4.390 . 0 0 "[ . 1 . 2]" 1
501 1 59 GLU HA 1 59 GLU QG . . 3.320 2.485 2.248 3.277 . 0 0 "[ . 1 . 2]" 1
502 1 59 GLU HA 1 60 MET H 3.520 . 3.520 3.541 3.482 3.570 0.050 3 0 "[ . 1 . 2]" 1
503 1 59 GLU HA 1 61 ILE H 4.840 . 4.840 4.452 4.367 4.540 . 0 0 "[ . 1 . 2]" 1
504 1 59 GLU HA 1 62 ASP H 3.730 . 3.730 3.389 3.311 3.536 . 0 0 "[ . 1 . 2]" 1
505 1 59 GLU HA 1 62 ASP QB . . 3.240 2.506 2.298 2.845 . 0 0 "[ . 1 . 2]" 1
506 1 60 MET H 1 60 MET QB . . 3.090 2.274 2.047 2.376 . 0 0 "[ . 1 . 2]" 1
507 1 60 MET H 1 60 MET QG 3.690 . 3.690 2.946 2.203 4.006 0.316 6 0 "[ . 1 . 2]" 1
508 1 60 MET H 1 61 ILE H 3.540 . 3.540 2.719 2.653 2.785 . 0 0 "[ . 1 . 2]" 1
509 1 60 MET H 1 61 ILE QG 4.340 . 4.340 4.407 4.292 4.480 0.140 15 0 "[ . 1 . 2]" 1
510 1 60 MET HA 1 60 MET QG 3.660 . 3.660 2.407 2.235 2.765 . 0 0 "[ . 1 . 2]" 1
511 1 60 MET HA 1 61 ILE H 4.790 . 4.790 3.554 3.543 3.569 . 0 0 "[ . 1 . 2]" 1
512 1 60 MET QB 1 61 ILE H 4.020 . 4.020 2.496 2.376 2.592 . 0 0 "[ . 1 . 2]" 1
513 1 60 MET ME 2 3 VAL QG 6.000 . 6.000 4.777 3.326 6.141 0.141 3 0 "[ . 1 . 2]" 1
514 1 60 MET ME 2 5 ILE MD 6.000 . 6.000 4.558 3.386 6.031 0.031 2 0 "[ . 1 . 2]" 1
515 1 61 ILE H 1 61 ILE HB 3.060 . 3.060 2.438 2.387 2.459 . 0 0 "[ . 1 . 2]" 1
516 1 61 ILE H 1 61 ILE MD 3.790 . 3.790 3.483 3.436 3.531 . 0 0 "[ . 1 . 2]" 1
517 1 61 ILE H 1 61 ILE QG 3.600 . 3.600 2.218 2.165 2.290 . 0 0 "[ . 1 . 2]" 1
518 1 61 ILE H 1 62 ASP H 3.400 . 3.400 2.619 2.541 2.691 . 0 0 "[ . 1 . 2]" 1
519 1 61 ILE H 1 63 GLU H 4.560 . 4.560 4.154 4.032 4.294 . 0 0 "[ . 1 . 2]" 1
520 1 61 ILE HA 1 61 ILE MD . . 3.520 3.771 3.757 3.782 0.262 13 0 "[ . 1 . 2]" 1
521 1 61 ILE HA 1 61 ILE QG 3.290 . 3.290 2.326 2.309 2.346 . 0 0 "[ . 1 . 2]" 1
522 1 61 ILE HA 1 62 ASP H 4.510 . 4.510 3.535 3.518 3.550 . 0 0 "[ . 1 . 2]" 1
523 1 61 ILE HA 1 64 VAL H 5.210 . 5.210 3.510 3.294 3.860 . 0 0 "[ . 1 . 2]" 1
524 1 61 ILE HA 1 64 VAL QG 4.110 . 4.110 2.793 2.131 3.659 . 0 0 "[ . 1 . 2]" 1
525 1 61 ILE HA 1 72 VAL QG 4.160 . 4.160 3.554 3.098 3.998 . 0 0 "[ . 1 . 2]" 1
526 1 61 ILE HB 1 61 ILE MD . . 3.110 2.242 2.219 2.279 . 0 0 "[ . 1 . 2]" 1
527 1 61 ILE HB 1 62 ASP H 3.160 . 3.160 2.630 2.497 2.714 . 0 0 "[ . 1 . 2]" 1
528 1 61 ILE MD 1 62 ASP H 3.600 . 3.600 3.270 3.173 3.338 . 0 0 "[ . 1 . 2]" 1
529 1 61 ILE MD 1 70 GLY H 5.000 . 5.000 5.083 4.880 5.225 0.225 19 0 "[ . 1 . 2]" 1
530 1 61 ILE MD 1 70 GLY QA . . 4.340 3.365 3.118 3.558 . 0 0 "[ . 1 . 2]" 1
531 1 61 ILE MD 1 71 THR H 4.410 . 4.410 4.436 4.238 4.572 0.162 17 0 "[ . 1 . 2]" 1
532 1 61 ILE MD 1 72 VAL H 4.250 . 4.250 4.149 3.855 4.359 0.109 10 0 "[ . 1 . 2]" 1
533 1 61 ILE QG 1 61 ILE MG 3.040 . 3.040 2.290 2.272 2.309 . 0 0 "[ . 1 . 2]" 1
534 1 61 ILE QG 1 62 ASP H 4.870 . 4.870 4.080 4.032 4.127 . 0 0 "[ . 1 . 2]" 1
535 1 61 ILE MG 1 62 ASP HA 4.070 . 4.070 3.403 3.318 3.509 . 0 0 "[ . 1 . 2]" 1
536 1 61 ILE MG 1 65 ASP H 4.510 . 4.510 3.526 3.147 4.093 . 0 0 "[ . 1 . 2]" 1
537 1 61 ILE MG 1 65 ASP QB . . 4.220 2.363 2.082 3.076 . 0 0 "[ . 1 . 2]" 1
538 1 61 ILE MG 1 71 THR HA 3.840 . 3.840 2.740 2.322 3.204 . 0 0 "[ . 1 . 2]" 1
539 1 62 ASP H 1 62 ASP QB 3.100 . 3.100 2.269 2.056 2.366 . 0 0 "[ . 1 . 2]" 1
540 1 62 ASP H 1 63 GLU H . . 3.310 2.733 2.672 2.779 . 0 0 "[ . 1 . 2]" 1
541 1 62 ASP H 1 63 GLU QB 4.910 . 4.910 4.559 4.318 4.721 . 0 0 "[ . 1 . 2]" 1
542 1 62 ASP HA 1 63 GLU H 4.020 . 4.020 3.536 3.499 3.566 . 0 0 "[ . 1 . 2]" 1
543 1 62 ASP HA 1 65 ASP H 4.150 . 4.150 3.284 2.940 3.453 . 0 0 "[ . 1 . 2]" 1
544 1 62 ASP QB 1 63 GLU H 3.510 . 3.510 2.652 2.438 3.330 . 0 0 "[ . 1 . 2]" 1
545 1 63 GLU H 1 63 GLU HA 2.960 . 2.960 2.809 2.734 2.839 . 0 0 "[ . 1 . 2]" 1
546 1 63 GLU H 1 63 GLU QB 2.910 . 2.910 2.281 2.075 2.394 . 0 0 "[ . 1 . 2]" 1
547 1 63 GLU H 1 63 GLU QG 3.720 . 3.720 3.043 2.171 4.002 0.282 4 0 "[ . 1 . 2]" 1
548 1 63 GLU H 1 64 VAL H 3.350 . 3.350 2.710 2.615 2.802 . 0 0 "[ . 1 . 2]" 1
549 1 63 GLU H 1 64 VAL H 3.080 . 3.080 2.176 1.894 2.277 . 0 0 "[ . 1 . 2]" 1
550 1 63 GLU H 1 64 VAL QG 4.310 . 4.310 3.895 3.545 4.344 0.034 1 0 "[ . 1 . 2]" 1
551 1 63 GLU HA 1 64 VAL H 4.680 . 4.680 3.545 3.479 3.583 . 0 0 "[ . 1 . 2]" 1
552 1 63 GLU QB 1 64 VAL H . . 4.790 2.588 2.429 2.902 . 0 0 "[ . 1 . 2]" 1
553 1 63 GLU QB 1 64 VAL QG 3.570 . 3.570 2.957 2.522 3.601 0.031 20 0 "[ . 1 . 2]" 1
554 1 64 VAL H 1 64 VAL HB 4.300 . 4.300 2.935 2.366 3.701 . 0 0 "[ . 1 . 2]" 1
555 1 64 VAL H 1 64 VAL QG 3.380 . 3.380 2.061 1.747 2.477 0.053 12 0 "[ . 1 . 2]" 1
556 1 64 VAL H 1 65 ASP H 3.030 . 3.030 2.302 1.926 2.463 . 0 0 "[ . 1 . 2]" 1
557 1 64 VAL H 1 65 ASP QB 5.230 . 5.230 4.110 3.747 4.398 . 0 0 "[ . 1 . 2]" 1
558 1 64 VAL HA 1 64 VAL QG 3.290 . 3.290 2.171 2.031 2.339 . 0 0 "[ . 1 . 2]" 1
559 1 64 VAL QG 1 65 ASP H 3.740 . 3.740 2.772 2.115 3.380 . 0 0 "[ . 1 . 2]" 1
560 1 64 VAL QG 1 80 MET H 4.530 . 4.530 3.803 2.963 4.127 . 0 0 "[ . 1 . 2]" 1
561 1 64 VAL QG 1 80 MET HA . . 3.450 3.194 2.437 3.536 0.086 20 0 "[ . 1 . 2]" 1
562 1 64 VAL QG 1 83 ARG QD 3.910 . 3.910 3.322 2.394 4.070 0.160 20 0 "[ . 1 . 2]" 1
563 1 65 ASP H 1 65 ASP QB 3.250 . 3.250 2.275 2.162 2.385 . 0 0 "[ . 1 . 2]" 1
564 1 65 ASP HA 1 66 GLU H 2.880 . 2.880 2.143 2.119 2.228 . 0 0 "[ . 1 . 2]" 1
565 1 65 ASP QB 1 66 GLU H 3.740 . 3.740 3.733 3.242 3.918 0.178 14 0 "[ . 1 . 2]" 1
566 1 66 GLU H 1 66 GLU QB 3.170 . 3.170 2.366 2.114 2.582 . 0 0 "[ . 1 . 2]" 1
567 1 66 GLU H 1 66 GLU QG 3.880 . 3.880 2.738 1.908 4.052 0.172 1 0 "[ . 1 . 2]" 1
568 1 66 GLU H 1 67 ASP H . . 3.130 2.522 2.300 2.688 . 0 0 "[ . 1 . 2]" 1
569 1 66 GLU H 1 68 GLY H 4.680 . 4.680 3.756 3.457 3.901 . 0 0 "[ . 1 . 2]" 1
570 1 66 GLU H 1 76 GLU QG 4.430 . 4.430 3.986 2.894 4.479 0.049 20 0 "[ . 1 . 2]" 1
571 1 66 GLU HA 1 66 GLU QG 3.750 . 3.750 2.571 2.278 3.310 . 0 0 "[ . 1 . 2]" 1
572 1 66 GLU HA 1 67 ASP H 3.830 . 3.830 3.520 3.410 3.566 . 0 0 "[ . 1 . 2]" 1
573 1 66 GLU QB 1 67 ASP H 3.720 . 3.720 2.817 2.575 3.708 . 0 0 "[ . 1 . 2]" 1
574 1 67 ASP H 1 67 ASP QB . . 3.580 2.760 2.552 2.975 . 0 0 "[ . 1 . 2]" 1
575 1 67 ASP H 1 68 GLY H . . 2.870 2.370 2.100 2.531 . 0 0 "[ . 1 . 2]" 1
576 1 67 ASP H 1 69 SER H . . 4.020 3.712 3.426 3.898 . 0 0 "[ . 1 . 2]" 1
577 1 67 ASP HA 1 68 GLY H 3.820 . 3.820 3.367 3.230 3.395 . 0 0 "[ . 1 . 2]" 1
578 1 67 ASP HA 1 69 SER H 4.160 . 4.160 4.373 4.260 4.502 0.342 4 0 "[ . 1 . 2]" 1
579 1 67 ASP QB 1 68 GLY H 4.500 . 4.500 3.686 3.168 3.924 . 0 0 "[ . 1 . 2]" 1
580 1 68 GLY H 1 68 GLY QA . . 2.780 2.210 2.203 2.219 . 0 0 "[ . 1 . 2]" 1
581 1 68 GLY H 1 69 SER H . . 3.140 2.562 2.531 2.605 . 0 0 "[ . 1 . 2]" 1
582 1 68 GLY H 1 70 GLY H 4.500 . 4.500 4.169 3.976 4.339 . 0 0 "[ . 1 . 2]" 1
583 1 68 GLY QA 1 69 SER H 3.680 . 3.680 2.866 2.820 2.897 . 0 0 "[ . 1 . 2]" 1
584 1 68 GLY QA 1 70 GLY H 4.740 . 4.740 3.162 3.059 3.379 . 0 0 "[ . 1 . 2]" 1
585 1 69 SER H 1 69 SER HA 2.740 . 2.740 2.802 2.762 2.820 0.080 13 0 "[ . 1 . 2]" 1
586 1 69 SER H 1 69 SER QB 3.000 . 3.000 2.476 2.446 2.585 . 0 0 "[ . 1 . 2]" 1
587 1 69 SER H 1 70 GLY H 3.000 . 3.000 2.691 2.623 2.791 . 0 0 "[ . 1 . 2]" 1
588 1 69 SER H 1 71 THR H 4.460 . 4.460 4.047 3.842 4.264 . 0 0 "[ . 1 . 2]" 1
589 1 69 SER HA 1 69 SER QB . . 2.650 2.205 2.183 2.365 . 0 0 "[ . 1 . 2]" 1
590 1 69 SER QB 1 70 GLY H 4.740 . 4.740 3.548 2.806 3.682 . 0 0 "[ . 1 . 2]" 1
591 1 69 SER QB 1 71 THR H 4.500 . 4.500 3.241 2.390 3.551 . 0 0 "[ . 1 . 2]" 1
592 1 70 GLY H 1 71 THR H . . 3.100 2.382 2.225 2.492 . 0 0 "[ . 1 . 2]" 1
593 1 70 GLY H 1 71 THR MG 4.950 . 4.950 4.406 3.981 4.584 . 0 0 "[ . 1 . 2]" 1
594 1 70 GLY QA 1 71 THR H 3.450 . 3.450 2.915 2.900 2.924 . 0 0 "[ . 1 . 2]" 1
595 1 70 GLY QA 1 71 THR MG 3.530 . 3.530 3.302 3.151 3.560 0.030 4 0 "[ . 1 . 2]" 1
596 1 71 THR H 1 71 THR MG 3.780 . 3.780 2.809 2.145 2.957 . 0 0 "[ . 1 . 2]" 1
597 1 71 THR H 1 72 VAL H 5.060 . 5.060 4.443 4.387 4.461 . 0 0 "[ . 1 . 2]" 1
598 1 71 THR HA 1 71 THR MG 3.030 . 3.030 2.371 2.274 3.150 0.120 4 0 "[ . 1 . 2]" 1
599 1 71 THR HA 1 72 VAL H 3.010 . 3.010 2.357 2.280 2.411 . 0 0 "[ . 1 . 2]" 1
600 1 71 THR HB 1 72 VAL H 3.390 . 3.390 2.624 2.456 3.528 0.138 4 0 "[ . 1 . 2]" 1
601 1 71 THR MG 1 72 VAL H 4.190 . 4.190 3.814 3.754 3.975 . 0 0 "[ . 1 . 2]" 1
602 1 72 VAL H 1 72 VAL HB 3.540 . 3.540 2.585 2.482 2.850 . 0 0 "[ . 1 . 2]" 1
603 1 72 VAL H 1 72 VAL QG 3.480 . 3.480 2.643 2.315 2.839 . 0 0 "[ . 1 . 2]" 1
604 1 72 VAL HA 1 72 VAL QG . . 3.190 2.091 2.062 2.159 . 0 0 "[ . 1 . 2]" 1
605 1 72 VAL HA 1 73 ASP H 2.780 . 2.780 2.136 2.107 2.155 . 0 0 "[ . 1 . 2]" 1
606 1 72 VAL QG 1 73 ASP H 3.770 . 3.770 2.625 2.428 2.773 . 0 0 "[ . 1 . 2]" 1
607 1 72 VAL QG 1 76 GLU H 4.590 . 4.590 3.912 3.757 4.102 . 0 0 "[ . 1 . 2]" 1
608 1 72 VAL QG 1 76 GLU QB 3.790 . 3.790 2.060 1.968 2.182 . 0 0 "[ . 1 . 2]" 1
609 1 72 VAL QG 1 77 PHE H 3.430 . 3.430 2.653 2.372 2.831 . 0 0 "[ . 1 . 2]" 1
610 1 72 VAL QG 1 77 PHE HA 3.500 . 3.500 2.343 2.191 2.688 . 0 0 "[ . 1 . 2]" 1
611 1 72 VAL QG 1 77 PHE QB 3.740 . 3.740 2.380 2.210 2.679 . 0 0 "[ . 1 . 2]" 1
612 1 72 VAL QG 1 77 PHE QD 3.880 . 3.880 3.024 2.263 3.660 . 0 0 "[ . 1 . 2]" 1
613 1 73 ASP H 1 76 GLU H 4.650 . 4.650 3.417 3.227 3.602 . 0 0 "[ . 1 . 2]" 1
614 1 73 ASP H 1 76 GLU HA 5.430 . 5.430 4.843 4.735 5.055 . 0 0 "[ . 1 . 2]" 1
615 1 73 ASP H 1 76 GLU QB . . 3.600 1.870 1.760 2.118 0.040 18 0 "[ . 1 . 2]" 1
616 1 73 ASP HA 1 74 PHE H 3.290 . 3.290 2.653 2.536 2.748 . 0 0 "[ . 1 . 2]" 1
617 1 73 ASP QB 1 74 PHE H 3.400 . 3.400 2.227 1.936 2.909 . 0 0 "[ . 1 . 2]" 1
618 1 73 ASP QB 1 76 GLU H 4.880 . 4.880 2.992 2.510 4.037 . 0 0 "[ . 1 . 2]" 1
619 1 74 PHE H 1 74 PHE HA 2.840 . 2.840 2.805 2.788 2.825 . 0 0 "[ . 1 . 2]" 1
620 1 74 PHE H 1 74 PHE QB 3.280 . 3.280 2.225 2.036 2.310 . 0 0 "[ . 1 . 2]" 1
621 1 74 PHE H 1 74 PHE QD 4.090 . 4.090 3.400 2.126 4.174 0.084 1 0 "[ . 1 . 2]" 1
622 1 74 PHE H 1 75 ASP H . . 3.330 2.806 2.718 2.886 . 0 0 "[ . 1 . 2]" 1
623 1 74 PHE HA 1 74 PHE QD 3.430 . 3.430 2.649 2.408 2.922 . 0 0 "[ . 1 . 2]" 1
624 1 74 PHE HA 1 74 PHE QE 4.470 . 4.470 4.427 4.236 4.667 0.197 18 0 "[ . 1 . 2]" 1
625 1 74 PHE HA 1 75 ASP H 3.810 . 3.810 3.566 3.555 3.582 . 0 0 "[ . 1 . 2]" 1
626 1 74 PHE HA 1 77 PHE QB 3.990 . 3.990 2.544 2.266 3.007 . 0 0 "[ . 1 . 2]" 1
627 1 74 PHE QB 1 75 ASP H 3.110 . 3.110 2.445 2.322 2.572 . 0 0 "[ . 1 . 2]" 1
628 1 74 PHE QD 1 75 ASP H 4.410 . 4.410 3.814 2.702 4.448 0.038 2 0 "[ . 1 . 2]" 1
629 1 75 ASP H 1 75 ASP QB . . 3.110 2.343 2.150 2.631 . 0 0 "[ . 1 . 2]" 1
630 1 75 ASP H 1 76 GLU H . . 3.170 2.696 2.583 2.834 . 0 0 "[ . 1 . 2]" 1
631 1 75 ASP H 1 78 LEU H 4.590 . 4.590 4.796 4.694 4.907 0.317 16 0 "[ . 1 . 2]" 1
632 1 75 ASP HA 1 78 LEU QD . . 3.560 3.170 2.391 3.747 0.187 10 0 "[ . 1 . 2]" 1
633 1 75 ASP QB 1 76 GLU H 3.960 . 3.960 2.588 2.303 3.390 . 0 0 "[ . 1 . 2]" 1
634 1 76 GLU H 1 76 GLU QB 3.580 . 3.580 2.345 2.278 2.388 . 0 0 "[ . 1 . 2]" 1
635 1 76 GLU H 1 76 GLU QG 3.370 . 3.370 2.325 2.251 2.446 . 0 0 "[ . 1 . 2]" 1
636 1 76 GLU H 1 77 PHE H 3.630 . 3.630 2.601 2.493 2.763 . 0 0 "[ . 1 . 2]" 1
637 1 76 GLU HA 1 76 GLU QG 3.520 . 3.520 2.304 2.255 2.339 . 0 0 "[ . 1 . 2]" 1
638 1 76 GLU HA 1 79 VAL H 4.430 . 4.430 3.410 3.241 3.652 . 0 0 "[ . 1 . 2]" 1
639 1 76 GLU HA 1 79 VAL HB 4.350 . 4.350 2.803 2.357 4.695 0.345 8 0 "[ . 1 . 2]" 1
640 1 76 GLU HA 1 79 VAL QG 3.950 . 3.950 2.770 1.985 3.279 . 0 0 "[ . 1 . 2]" 1
641 1 76 GLU QB 1 77 PHE H 4.140 . 4.140 2.665 2.560 2.859 . 0 0 "[ . 1 . 2]" 1
642 1 76 GLU QG 1 77 PHE H 4.640 . 4.640 4.161 4.098 4.315 . 0 0 "[ . 1 . 2]" 1
643 1 77 PHE H 1 77 PHE QB 3.270 . 3.270 2.217 2.148 2.267 . 0 0 "[ . 1 . 2]" 1
644 1 77 PHE H 1 77 PHE QD 4.430 . 4.430 4.134 4.039 4.188 . 0 0 "[ . 1 . 2]" 1
645 1 77 PHE H 1 78 LEU H 3.900 . 3.900 2.727 2.541 2.811 . 0 0 "[ . 1 . 2]" 1
646 1 77 PHE HA 1 77 PHE QD 3.850 . 3.850 2.671 2.315 3.007 . 0 0 "[ . 1 . 2]" 1
647 1 77 PHE HA 1 78 LEU H 3.980 . 3.980 3.565 3.548 3.584 . 0 0 "[ . 1 . 2]" 1
648 1 77 PHE HA 1 80 MET QB 4.000 . 4.000 2.812 2.404 3.560 . 0 0 "[ . 1 . 2]" 1
649 1 77 PHE QB 1 78 LEU H 3.360 . 3.360 2.530 2.398 2.679 . 0 0 "[ . 1 . 2]" 1
650 1 77 PHE QD 1 78 LEU H 4.560 . 4.560 3.340 2.924 3.729 . 0 0 "[ . 1 . 2]" 1
651 1 78 LEU H 1 78 LEU QB . . 3.140 2.270 2.054 2.394 . 0 0 "[ . 1 . 2]" 1
652 1 78 LEU H 1 78 LEU QD 3.690 . 3.690 3.161 2.016 3.690 . 0 0 "[ . 1 . 2]" 1
653 1 78 LEU H 1 79 VAL H 3.740 . 3.740 2.688 2.628 2.835 . 0 0 "[ . 1 . 2]" 1
654 1 78 LEU HA 1 78 LEU QD . . 3.120 2.160 1.948 2.381 . 0 0 "[ . 1 . 2]" 1
655 1 78 LEU QB 1 79 VAL H 3.990 . 3.990 2.582 2.448 2.732 . 0 0 "[ . 1 . 2]" 1
656 1 79 VAL H 1 79 VAL HB 3.170 . 3.170 2.510 2.154 3.552 0.382 8 0 "[ . 1 . 2]" 1
657 1 79 VAL H 1 79 VAL QG 2.900 . 2.900 2.279 1.731 2.714 0.069 8 0 "[ . 1 . 2]" 1
658 1 79 VAL H 1 80 MET H . . 3.680 2.656 2.563 2.743 . 0 0 "[ . 1 . 2]" 1
659 1 79 VAL HA 1 79 VAL QG 2.820 . 2.820 2.103 2.045 2.470 . 0 0 "[ . 1 . 2]" 1
660 1 79 VAL HA 1 80 MET H 4.610 . 4.610 3.524 3.477 3.562 . 0 0 "[ . 1 . 2]" 1
661 1 79 VAL HA 1 81 MET H 4.090 . 4.090 4.285 4.079 4.402 0.312 15 0 "[ . 1 . 2]" 1
662 1 79 VAL HA 1 82 VAL H 3.950 . 3.950 3.514 3.301 3.820 . 0 0 "[ . 1 . 2]" 1
663 1 79 VAL HA 1 82 VAL HB 3.990 . 3.990 2.926 2.326 4.103 0.113 10 0 "[ . 1 . 2]" 1
664 1 79 VAL HA 1 83 ARG H 4.630 . 4.630 3.891 3.550 4.254 . 0 0 "[ . 1 . 2]" 1
665 1 79 VAL QG 1 80 MET H 3.690 . 3.690 3.043 2.084 3.222 . 0 0 "[ . 1 . 2]" 1
666 1 79 VAL QG 1 83 ARG H 3.830 . 3.830 2.930 1.834 3.126 . 0 0 "[ . 1 . 2]" 1
667 1 79 VAL QG 1 83 ARG H 4.180 . 4.180 3.774 3.408 4.398 0.218 8 0 "[ . 1 . 2]" 1
668 1 79 VAL QG 1 83 ARG QD 3.320 . 3.320 3.084 2.200 3.480 0.160 19 0 "[ . 1 . 2]" 1
669 1 80 MET H 1 80 MET QB 3.500 . 3.500 2.228 2.108 2.265 . 0 0 "[ . 1 . 2]" 1
670 1 80 MET H 1 80 MET QG 4.580 . 4.580 3.760 2.724 4.022 . 0 0 "[ . 1 . 2]" 1
671 1 80 MET H 1 81 MET H 2.360 . 2.360 2.570 2.484 2.642 0.282 9 0 "[ . 1 . 2]" 1
672 1 80 MET H 1 81 MET QB 4.190 . 4.190 4.343 4.216 4.469 0.279 17 0 "[ . 1 . 2]" 1
673 1 80 MET HA 1 80 MET QG 3.820 . 3.820 2.530 2.277 3.438 . 0 0 "[ . 1 . 2]" 1
674 1 80 MET HA 1 81 MET H 4.690 . 4.690 3.507 3.449 3.525 . 0 0 "[ . 1 . 2]" 1
675 1 80 MET HA 1 83 ARG H 4.280 . 4.280 3.597 3.436 3.936 . 0 0 "[ . 1 . 2]" 1
676 1 80 MET QB 1 81 MET H 3.830 . 3.830 2.739 2.487 3.548 . 0 0 "[ . 1 . 2]" 1
677 1 80 MET ME 1 80 MET QG 3.010 . 3.010 2.196 2.079 2.281 . 0 0 "[ . 1 . 2]" 1
678 1 80 MET ME 1 81 MET H 4.820 . 4.820 3.971 3.249 4.717 . 0 0 "[ . 1 . 2]" 1
679 1 81 MET H 1 81 MET QB . . 3.270 2.203 2.070 2.316 . 0 0 "[ . 1 . 2]" 1
680 1 81 MET HA 1 81 MET ME 4.000 . 4.000 3.617 2.353 4.348 0.348 18 0 "[ . 1 . 2]" 1
681 1 81 MET HA 1 81 MET QG 3.850 . 3.850 2.384 2.137 2.835 . 0 0 "[ . 1 . 2]" 1
682 1 81 MET HA 1 82 VAL H 4.460 . 4.460 3.555 3.530 3.577 . 0 0 "[ . 1 . 2]" 1
683 1 81 MET HA 1 84 CYS H 4.180 . 4.180 3.681 3.507 3.944 . 0 0 "[ . 1 . 2]" 1
684 1 81 MET HA 1 84 CYS QB 4.040 . 4.040 3.039 2.473 4.008 . 0 0 "[ . 1 . 2]" 1
685 1 81 MET QB 1 82 VAL H 3.750 . 3.750 2.471 2.270 2.686 . 0 0 "[ . 1 . 2]" 1
686 1 81 MET ME 2 11 MET QB 6.000 . 6.000 5.160 3.890 5.928 . 0 0 "[ . 1 . 2]" 1
687 1 81 MET ME 2 11 MET ME 6.000 . 6.000 2.593 1.885 3.590 . 0 0 "[ . 1 . 2]" 1
688 1 81 MET ME 2 14 LEU QD 6.000 . 6.000 3.916 2.037 5.896 . 0 0 "[ . 1 . 2]" 1
689 1 81 MET ME 2 23 LEU QD 6.000 . 6.000 5.489 4.699 6.281 0.281 20 0 "[ . 1 . 2]" 1
690 1 81 MET ME 2 23 LEU QD 6.000 . 6.000 5.435 4.690 6.022 0.022 17 0 "[ . 1 . 2]" 1
691 1 82 VAL H 1 82 VAL HB 3.240 . 3.240 2.408 2.375 2.444 . 0 0 "[ . 1 . 2]" 1
692 1 82 VAL H 1 82 VAL QG 3.050 . 3.050 2.285 2.168 2.415 . 0 0 "[ . 1 . 2]" 1
693 1 82 VAL HA 1 82 VAL QG . . 3.300 2.074 2.034 2.250 . 0 0 "[ . 1 . 2]" 1
694 1 82 VAL HA 1 83 ARG H 3.940 . 3.940 3.557 3.532 3.583 . 0 0 "[ . 1 . 2]" 1
695 1 82 VAL HB 1 83 ARG H 3.600 . 3.600 2.680 2.513 3.743 0.143 10 0 "[ . 1 . 2]" 1
696 1 82 VAL QG 1 83 ARG H 3.540 . 3.540 3.084 1.837 3.214 . 0 0 "[ . 1 . 2]" 1
697 1 83 ARG H 1 83 ARG QB 3.090 . 3.090 2.226 2.081 2.431 . 0 0 "[ . 1 . 2]" 1
698 1 83 ARG H 1 83 ARG QD 4.000 . 4.000 4.144 3.592 4.466 0.466 19 0 "[ . 1 . 2]" 1
699 1 83 ARG H 1 84 CYS H . . 3.340 2.727 2.544 2.820 . 0 0 "[ . 1 . 2]" 1
700 1 83 ARG HA 1 83 ARG QD 5.100 . 5.100 3.895 2.606 4.267 . 0 0 "[ . 1 . 2]" 1
701 1 83 ARG HA 1 84 CYS H 4.480 . 4.480 3.556 3.505 3.575 . 0 0 "[ . 1 . 2]" 1
702 1 83 ARG QB 1 83 ARG QD 3.500 . 3.500 2.155 2.085 2.394 . 0 0 "[ . 1 . 2]" 1
703 1 83 ARG QB 1 84 CYS H 3.870 . 3.870 2.553 2.388 3.504 . 0 0 "[ . 1 . 2]" 1
704 1 84 CYS H 1 84 CYS QB 3.160 . 3.160 2.330 2.256 2.419 . 0 0 "[ . 1 . 2]" 1
705 1 84 CYS QB 2 5 ILE MG 6.000 . 6.000 6.035 5.717 6.220 0.220 19 0 "[ . 1 . 2]" 1
706 1 84 CYS QB 2 7 ALA MB 6.000 . 6.000 3.471 2.014 5.509 . 0 0 "[ . 1 . 2]" 1
707 1 84 CYS QB 2 11 MET ME 6.000 . 6.000 5.209 3.691 6.101 0.101 10 0 "[ . 1 . 2]" 1
708 1 85 MET QB 1 86 LYS H 3.100 . 3.100 2.538 2.323 2.828 . 0 0 "[ . 1 . 2]" 1
709 1 85 MET ME 2 23 LEU HA 6.000 . 6.000 5.298 3.702 6.090 0.090 11 0 "[ . 1 . 2]" 1
710 1 85 MET QG 2 7 ALA MB 6.000 . 6.000 4.737 2.912 5.818 . 0 0 "[ . 1 . 2]" 1
711 1 86 LYS H 1 86 LYS HA 2.970 . 2.970 2.868 2.803 2.951 . 0 0 "[ . 1 . 2]" 1
712 1 86 LYS H 1 86 LYS QB 3.040 . 3.040 2.330 2.107 2.498 . 0 0 "[ . 1 . 2]" 1
713 1 86 LYS H 1 86 LYS QD 4.820 . 4.820 4.116 3.568 4.639 . 0 0 "[ . 1 . 2]" 1
714 1 86 LYS H 1 86 LYS QG 3.530 . 3.530 2.914 2.057 3.929 0.399 16 0 "[ . 1 . 2]" 1
715 1 86 LYS H 1 87 ASP H 3.610 . 3.610 2.527 2.310 2.683 . 0 0 "[ . 1 . 2]" 1
716 1 86 LYS HA 1 86 LYS QD 4.220 . 4.220 3.531 2.160 4.266 0.046 8 0 "[ . 1 . 2]" 1
717 1 86 LYS HA 1 86 LYS QG . . 3.750 2.474 2.265 3.333 . 0 0 "[ . 1 . 2]" 1
718 1 86 LYS QB 1 87 ASP H 3.980 . 3.980 2.880 2.185 3.790 . 0 0 "[ . 1 . 2]" 1
719 1 86 LYS QD 1 86 LYS QG 2.310 . 2.310 2.082 2.033 2.110 . 0 0 "[ . 1 . 2]" 1
720 1 86 LYS QG 1 87 ASP H 4.270 . 4.270 3.855 2.315 4.601 0.331 12 0 "[ . 1 . 2]" 1
721 1 87 ASP H 1 87 ASP HA 2.720 . 2.720 2.566 2.290 2.886 0.166 17 0 "[ . 1 . 2]" 1
722 1 87 ASP HA 1 88 ASP H 2.380 . 2.380 2.376 2.104 2.790 0.410 16 0 "[ . 1 . 2]" 1
723 1 88 ASP H 1 88 ASP QB 3.020 . 3.020 2.582 2.311 2.952 . 0 0 "[ . 1 . 2]" 1
724 1 88 ASP H 1 89 SER H 3.320 . 3.320 3.555 3.430 3.766 0.446 6 0 "[ . 1 . 2]" 1
725 1 88 ASP HA 1 89 SER H 3.160 . 3.160 2.411 2.386 2.435 . 0 0 "[ . 1 . 2]" 1
726 1 88 ASP QB 1 89 SER H 4.320 . 4.320 3.947 3.846 4.046 . 0 0 "[ . 1 . 2]" 1
727 1 89 SER H 1 89 SER QB 3.440 . 3.440 2.688 2.045 3.455 0.015 14 0 "[ . 1 . 2]" 1
728 1 89 SER HA 1 89 SER QB 2.730 . 2.730 2.306 2.162 2.538 . 0 0 "[ . 1 . 2]" 1
729 2 1 ARG H1 2 1 ARG HA 6.000 . 6.000 2.590 2.215 2.956 . 0 0 "[ . 1 . 2]" 1
730 2 1 ARG H1 2 1 ARG QB 6.000 . 6.000 2.749 1.967 3.372 . 0 0 "[ . 1 . 2]" 1
731 2 1 ARG H1 2 1 ARG QD 6.000 . 6.000 4.356 3.017 5.285 . 0 0 "[ . 1 . 2]" 1
732 2 1 ARG H1 2 1 ARG QG 6.000 . 6.000 3.129 2.025 4.329 . 0 0 "[ . 1 . 2]" 1
733 2 1 ARG H1 2 2 ARG HA 6.000 . 6.000 5.183 3.892 6.485 0.485 19 0 "[ . 1 . 2]" 1
734 2 2 ARG H 2 3 VAL H 6.000 . 6.000 3.341 2.186 4.627 . 0 0 "[ . 1 . 2]" 1
735 2 2 ARG HA 2 3 VAL H 6.000 . 6.000 2.969 2.158 3.574 . 0 0 "[ . 1 . 2]" 1
736 2 2 ARG QB 2 3 VAL H 6.000 . 6.000 3.093 1.729 4.049 0.071 15 0 "[ . 1 . 2]" 1
737 2 3 VAL H 2 4 ARG H 6.000 . 6.000 3.012 2.305 4.069 . 0 0 "[ . 1 . 2]" 1
738 2 3 VAL HA 2 4 ARG H 6.000 . 6.000 2.795 2.150 3.570 . 0 0 "[ . 1 . 2]" 1
739 2 3 VAL HA 2 7 ALA H 6.000 . 6.000 2.488 2.132 3.534 . 0 0 "[ . 1 . 2]" 1
740 2 3 VAL QG 2 4 ARG H 6.000 . 6.000 2.927 1.864 3.659 . 0 0 "[ . 1 . 2]" 1
741 2 4 ARG H 2 5 ILE HA 6.000 . 6.000 5.237 4.644 6.010 0.010 1 0 "[ . 1 . 2]" 1
742 2 4 ARG HA 2 5 ILE H 6.000 . 6.000 2.503 2.137 3.533 . 0 0 "[ . 1 . 2]" 1
743 2 5 ILE HA 2 6 SER H 6.000 . 6.000 2.837 2.131 3.570 . 0 0 "[ . 1 . 2]" 1
744 2 5 ILE MG 2 6 SER H 6.000 . 6.000 2.820 1.978 3.825 . 0 0 "[ . 1 . 2]" 1
745 2 6 SER H 2 9 ALA MB 6.000 . 6.000 3.847 2.018 5.419 . 0 0 "[ . 1 . 2]" 1
746 2 6 SER QB 2 7 ALA H 6.000 . 6.000 3.046 1.810 3.963 . 0 0 "[ . 1 . 2]" 1
747 2 6 SER QB 2 9 ALA MB 6.000 . 6.000 3.157 2.062 5.661 . 0 0 "[ . 1 . 2]" 1
748 2 9 ALA H 2 10 MET H 6.000 . 6.000 2.686 2.644 2.743 . 0 0 "[ . 1 . 2]" 1
749 2 9 ALA MB 2 10 MET H 6.000 . 6.000 2.572 2.424 2.727 . 0 0 "[ . 1 . 2]" 1
750 2 10 MET HA 2 10 MET ME 6.000 . 6.000 4.024 2.984 5.249 . 0 0 "[ . 1 . 2]" 1
751 2 11 MET H 2 19 HIS HD2 6.000 . 6.000 5.226 4.144 6.002 0.002 11 0 "[ . 1 . 2]" 1
752 2 11 MET HA 2 11 MET ME 6.000 . 6.000 3.461 2.276 4.417 . 0 0 "[ . 1 . 2]" 1
753 2 11 MET HA 2 13 ALA H 6.000 . 6.000 3.347 2.983 3.485 . 0 0 "[ . 1 . 2]" 1
754 2 11 MET ME 2 13 ALA H 6.000 . 6.000 2.525 2.248 2.783 . 0 0 "[ . 1 . 2]" 1
755 2 11 MET ME 2 19 HIS HD2 6.000 . 6.000 4.422 2.924 5.430 . 0 0 "[ . 1 . 2]" 1
756 2 11 MET QG 2 19 HIS HE1 6.000 . 6.000 5.436 3.191 6.138 0.138 15 0 "[ . 1 . 2]" 1
757 2 12 GLN H 2 13 ALA H 6.000 . 6.000 2.684 2.497 2.785 . 0 0 "[ . 1 . 2]" 1
758 2 12 GLN HA 2 13 ALA H 6.000 . 6.000 3.408 3.343 3.456 . 0 0 "[ . 1 . 2]" 1
759 2 12 GLN HA 2 19 HIS HD2 6.000 . 6.000 3.811 2.539 5.464 . 0 0 "[ . 1 . 2]" 1
760 2 12 GLN QB 2 19 HIS HD2 6.000 . 6.000 4.644 2.925 6.040 0.040 1 0 "[ . 1 . 2]" 1
761 2 12 GLN QB 2 19 HIS HE1 6.000 . 6.000 5.379 4.400 6.052 0.052 14 0 "[ . 1 . 2]" 1
762 2 12 GLN QG 2 19 HIS HD2 6.000 . 6.000 3.771 2.295 6.051 0.051 20 0 "[ . 1 . 2]" 1
763 2 13 ALA H 2 15 LEU QD 6.000 . 6.000 5.116 4.162 5.960 . 0 0 "[ . 1 . 2]" 1
764 2 13 ALA H 2 16 GLY H 6.000 . 6.000 4.957 3.734 6.063 0.063 15 0 "[ . 1 . 2]" 1
765 2 14 LEU H 2 15 LEU H 6.000 . 6.000 3.487 2.550 4.573 . 0 0 "[ . 1 . 2]" 1
766 2 15 LEU H 2 16 GLY H 6.000 . 6.000 3.321 1.659 4.555 0.141 19 0 "[ . 1 . 2]" 1
767 2 15 LEU QD 2 19 HIS HD2 6.000 . 6.000 4.911 2.796 6.028 0.028 15 0 "[ . 1 . 2]" 1
768 2 17 ALA MB 2 19 HIS HD2 6.000 . 6.000 4.689 2.337 6.019 0.019 12 0 "[ . 1 . 2]" 1
769 2 18 ARG QG 2 19 HIS HD2 6.000 . 6.000 5.566 4.842 6.351 0.351 2 0 "[ . 1 . 2]" 1
770 2 19 HIS HE1 2 22 SER HA 6.000 . 6.000 5.171 2.458 6.128 0.128 7 0 "[ . 1 . 2]" 1
771 2 19 HIS HE1 2 23 LEU HG 6.000 . 6.000 5.224 3.431 6.065 0.065 3 0 "[ . 1 . 2]" 1
772 2 23 LEU HA 2 24 ASP H 6.000 . 6.000 2.916 2.148 3.564 . 0 0 "[ . 1 . 2]" 1
773 2 23 LEU QD 2 24 ASP H 6.000 . 6.000 3.446 2.477 4.221 . 0 0 "[ . 1 . 2]" 1
774 2 24 ASP HA 2 25 LEU H 6.000 . 6.000 2.708 2.160 3.552 . 0 0 "[ . 1 . 2]" 1
775 2 25 LEU H 2 27 ALA H 6.000 . 6.000 5.372 2.911 6.183 0.183 2 0 "[ . 1 . 2]" 1
776 2 26 ARG H 2 26 ARG QD 6.000 . 6.000 4.310 3.580 5.335 . 0 0 "[ . 1 . 2]" 1
777 2 26 ARG H 2 27 ALA H 6.000 . 6.000 3.400 1.990 4.564 . 0 0 "[ . 1 . 2]" 1
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