NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408998 |
1z6c   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z6c
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 737
_Distance_constraint_stats_list.Viol_count 2621
_Distance_constraint_stats_list.Viol_total 4040.838
_Distance_constraint_stats_list.Viol_max 0.385
_Distance_constraint_stats_list.Viol_rms 0.0418
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0137
_Distance_constraint_stats_list.Viol_average_violations_only 0.0771
_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 1 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.083 0.071 12 0 "[ . 1 . 2]"
1 4 ASP 0.342 0.038 6 0 "[ . 1 . 2]"
1 5 GLU 2.409 0.100 17 0 "[ . 1 . 2]"
1 6 CYS 0.058 0.020 20 0 "[ . 1 . 2]"
1 7 SER 0.410 0.066 4 0 "[ . 1 . 2]"
1 8 LEU 3.213 0.100 17 0 "[ . 1 . 2]"
1 9 LYS 0.098 0.017 16 0 "[ . 1 . 2]"
1 12 ILE 10.327 0.224 15 0 "[ . 1 . 2]"
1 13 CYS 8.128 0.224 15 0 "[ . 1 . 2]"
1 14 GLY 0.590 0.163 4 0 "[ . 1 . 2]"
1 15 THR 4.210 0.253 13 0 "[ . 1 . 2]"
1 16 ALA 4.696 0.163 4 0 "[ . 1 . 2]"
1 17 VAL 1.055 0.120 4 0 "[ . 1 . 2]"
1 18 CYS 2.450 0.150 19 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.430 0.065 4 0 "[ . 1 . 2]"
1 21 ILE 1.321 0.046 20 0 "[ . 1 . 2]"
1 22 PRO 1.321 0.078 13 0 "[ . 1 . 2]"
1 23 GLY 2.148 0.078 13 0 "[ . 1 . 2]"
1 24 ASP 2.478 0.082 18 0 "[ . 1 . 2]"
1 25 PHE 8.024 0.197 20 0 "[ . 1 . 2]"
1 26 GLU 1.291 0.150 16 0 "[ . 1 . 2]"
1 27 CYS 2.279 0.150 16 0 "[ . 1 . 2]"
1 28 GLU 1.629 0.111 3 0 "[ . 1 . 2]"
1 29 CYS 7.938 0.224 17 0 "[ . 1 . 2]"
1 30 PRO 0.314 0.064 10 0 "[ . 1 . 2]"
1 31 GLU 9.327 0.341 1 0 "[ . 1 . 2]"
1 32 GLY 2.575 0.317 9 0 "[ . 1 . 2]"
1 33 TYR 24.649 0.385 17 0 "[ . 1 . 2]"
1 34 ARG 9.983 0.228 9 0 "[ . 1 . 2]"
1 35 TYR 6.779 0.186 14 0 "[ . 1 . 2]"
1 36 ASN 1.086 0.112 13 0 "[ . 1 . 2]"
1 37 LEU 0.154 0.032 6 0 "[ . 1 . 2]"
1 38 LYS 3.712 0.138 16 0 "[ . 1 . 2]"
1 39 SER 5.490 0.138 16 0 "[ . 1 . 2]"
1 40 LYS 9.633 0.301 16 0 "[ . 1 . 2]"
1 41 SER 9.288 0.301 16 0 "[ . 1 . 2]"
1 42 CYS 0.907 0.077 14 0 "[ . 1 . 2]"
1 43 GLU 0.185 0.069 2 0 "[ . 1 . 2]"
1 44 ASP 5.595 0.385 17 0 "[ . 1 . 2]"
1 45 ILE 10.883 0.264 14 0 "[ . 1 . 2]"
1 46 ASP 0.336 0.063 18 0 "[ . 1 . 2]"
1 47 GLU 6.426 0.110 2 0 "[ . 1 . 2]"
1 48 CYS 2.038 0.121 1 0 "[ . 1 . 2]"
1 49 SER 1.554 0.079 7 0 "[ . 1 . 2]"
1 50 GLU 3.191 0.104 15 0 "[ . 1 . 2]"
1 51 ASN 0.896 0.073 12 0 "[ . 1 . 2]"
1 52 MET 8.436 0.321 5 0 "[ . 1 . 2]"
1 53 CYS 15.315 0.321 5 0 "[ . 1 . 2]"
1 54 ALA 5.213 0.255 20 0 "[ . 1 . 2]"
1 55 GLN 3.165 0.243 16 0 "[ . 1 . 2]"
1 56 LEU 10.207 0.317 2 0 "[ . 1 . 2]"
1 57 CYS 11.746 0.317 2 0 "[ . 1 . 2]"
1 58 VAL 10.972 0.302 14 0 "[ . 1 . 2]"
1 59 ASN 10.830 0.240 6 0 "[ . 1 . 2]"
1 60 TYR 11.663 0.219 12 0 "[ . 1 . 2]"
1 61 PRO 4.251 0.219 12 0 "[ . 1 . 2]"
1 62 GLY 1.559 0.101 8 0 "[ . 1 . 2]"
1 63 GLY 6.184 0.148 9 0 "[ . 1 . 2]"
1 64 TYR 14.419 0.196 15 0 "[ . 1 . 2]"
1 65 THR 9.489 0.196 15 0 "[ . 1 . 2]"
1 66 CYS 1.013 0.060 3 0 "[ . 1 . 2]"
1 67 TYR 12.029 0.302 14 0 "[ . 1 . 2]"
1 68 CYS 12.564 0.342 19 0 "[ . 1 . 2]"
1 69 ASP 6.649 0.308 19 0 "[ . 1 . 2]"
1 70 GLY 0.702 0.124 8 0 "[ . 1 . 2]"
1 71 LYS 0.126 0.057 1 0 "[ . 1 . 2]"
1 72 LYS 1.756 0.134 5 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 23.200 0.342 19 0 "[ . 1 . 2]"
1 75 LYS 4.490 0.273 2 0 "[ . 1 . 2]"
1 76 LEU 1.419 0.106 5 0 "[ . 1 . 2]"
1 77 ALA 2.854 0.127 20 0 "[ . 1 . 2]"
1 78 GLN 1.953 0.181 19 0 "[ . 1 . 2]"
1 79 ASP 0.612 0.046 20 0 "[ . 1 . 2]"
1 80 GLN 0.931 0.181 19 0 "[ . 1 . 2]"
1 81 LYS 2.679 0.106 3 0 "[ . 1 . 2]"
1 82 SER 1.078 0.102 18 0 "[ . 1 . 2]"
1 83 CYS 4.717 0.342 19 0 "[ . 1 . 2]"
1 84 GLU 1.180 0.113 13 0 "[ . 1 . 2]"
1 85 VAL 5.400 0.237 11 0 "[ . 1 . 2]"
1 86 VAL 2.690 0.100 2 0 "[ . 1 . 2]"
1 87 SER 1.560 0.079 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 GLU H 1 6 CYS H 4.290 . 4.720 2.606 1.978 3.417 . 0 0 "[ . 1 . 2]" 1
2 1 6 CYS H 1 7 SER H 4.050 . 4.460 2.154 1.780 2.539 0.020 20 0 "[ . 1 . 2]" 1
3 1 7 SER H 1 8 LEU H 3.450 . 3.800 2.452 2.010 2.695 . 0 0 "[ . 1 . 2]" 1
4 1 7 SER H 1 9 LYS H 4.680 . 5.150 4.758 4.498 5.131 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU H 1 9 LYS H 3.420 . 3.760 2.617 2.417 2.921 . 0 0 "[ . 1 . 2]" 1
6 1 12 ILE H 1 13 CYS H 3.720 . 4.090 2.921 2.690 3.506 . 0 0 "[ . 1 . 2]" 1
7 1 13 CYS H 1 14 GLY H 3.390 . 3.730 2.394 1.979 3.776 0.046 15 0 "[ . 1 . 2]" 1
8 1 14 GLY H 1 15 THR H 3.970 . 4.370 3.166 2.876 4.060 . 0 0 "[ . 1 . 2]" 1
9 1 14 GLY H 1 16 ALA H 4.300 . 4.730 4.651 4.374 4.893 0.163 4 0 "[ . 1 . 2]" 1
10 1 15 THR H 1 16 ALA H 3.530 . 3.880 3.038 1.924 3.281 . 0 0 "[ . 1 . 2]" 1
11 1 16 ALA H 1 17 VAL H 3.730 . 4.100 2.988 2.665 4.220 0.120 4 0 "[ . 1 . 2]" 1
12 1 17 VAL H 1 18 CYS H 4.590 . 5.050 2.416 1.963 3.564 . 0 0 "[ . 1 . 2]" 1
13 1 17 VAL H 1 28 GLU H 4.190 . 4.610 3.783 3.209 4.169 . 0 0 "[ . 1 . 2]" 1
14 1 19 LYS H 1 26 GLU H 4.100 . 4.510 3.062 2.416 3.588 . 0 0 "[ . 1 . 2]" 1
15 1 21 ILE H 1 25 PHE H 3.640 . 4.000 3.985 3.923 4.027 0.027 20 0 "[ . 1 . 2]" 1
16 1 23 GLY H 1 24 ASP H 3.940 . 4.330 2.601 2.493 2.738 . 0 0 "[ . 1 . 2]" 1
17 1 24 ASP H 1 25 PHE H 3.870 . 4.260 4.331 4.314 4.342 0.082 18 0 "[ . 1 . 2]" 1
18 1 27 CYS H 1 28 GLU H 4.020 . 4.420 4.417 4.282 4.517 0.097 10 0 "[ . 1 . 2]" 1
19 1 28 GLU H 1 29 CYS H 4.280 . 4.710 2.467 2.197 2.648 . 0 0 "[ . 1 . 2]" 1
20 1 31 GLU H 1 32 GLY H 4.520 . 4.970 4.250 3.370 4.698 . 0 0 "[ . 1 . 2]" 1
21 1 32 GLY H 1 33 TYR H 3.600 . 3.960 3.032 2.149 3.315 . 0 0 "[ . 1 . 2]" 1
22 1 33 TYR H 1 34 ARG H 3.940 . 4.330 4.516 4.455 4.558 0.228 9 0 "[ . 1 . 2]" 1
23 1 34 ARG H 1 35 TYR H 4.350 . 4.790 4.511 4.378 4.587 . 0 0 "[ . 1 . 2]" 1
24 1 34 ARG H 1 43 GLU H 3.740 . 4.110 3.932 3.788 4.067 . 0 0 "[ . 1 . 2]" 1
25 1 34 ARG H 1 45 ILE H 4.170 . 4.580 3.132 2.968 3.269 . 0 0 "[ . 1 . 2]" 1
26 1 35 TYR H 1 36 ASN H 4.370 . 4.810 4.532 4.464 4.616 . 0 0 "[ . 1 . 2]" 1
27 1 36 ASN H 1 40 LYS H 4.420 . 4.860 4.493 4.219 4.756 . 0 0 "[ . 1 . 2]" 1
28 1 36 ASN H 1 41 SER H 4.030 . 4.430 3.058 2.940 3.212 . 0 0 "[ . 1 . 2]" 1
29 1 36 ASN H 1 43 GLU H 4.700 . 5.170 4.571 4.255 4.859 . 0 0 "[ . 1 . 2]" 1
30 1 37 LEU H 1 38 LYS H 3.720 . 4.090 2.454 2.381 2.659 . 0 0 "[ . 1 . 2]" 1
31 1 37 LEU H 1 39 SER H 4.250 . 4.680 4.445 4.175 4.706 0.026 20 0 "[ . 1 . 2]" 1
32 1 38 LYS H 1 39 SER H 3.210 . 3.530 2.621 2.495 2.770 . 0 0 "[ . 1 . 2]" 1
33 1 38 LYS H 1 40 LYS H 4.080 . 4.490 3.444 3.340 3.557 . 0 0 "[ . 1 . 2]" 1
34 1 39 SER H 1 40 LYS H 3.100 . 3.410 2.045 1.948 2.088 . 0 0 "[ . 1 . 2]" 1
35 1 39 SER H 1 41 SER H 3.830 . 4.210 3.780 3.546 3.922 . 0 0 "[ . 1 . 2]" 1
36 1 40 LYS H 1 41 SER H 3.370 . 3.710 2.686 2.548 2.824 . 0 0 "[ . 1 . 2]" 1
37 1 41 SER H 1 42 CYS H 4.340 . 4.770 4.449 4.380 4.532 . 0 0 "[ . 1 . 2]" 1
38 1 43 GLU H 1 44 ASP H 4.670 . 5.140 4.130 3.915 4.350 . 0 0 "[ . 1 . 2]" 1
39 1 46 ASP H 1 47 GLU H 4.320 . 4.750 3.311 3.229 3.378 . 0 0 "[ . 1 . 2]" 1
40 1 46 ASP H 1 48 CYS H 5.070 . 5.580 5.414 5.198 5.619 0.039 12 0 "[ . 1 . 2]" 1
41 1 47 GLU H 1 48 CYS H 3.880 . 4.270 2.884 2.805 2.946 . 0 0 "[ . 1 . 2]" 1
42 1 47 GLU H 1 49 SER H 4.500 . 4.950 4.247 4.084 4.388 . 0 0 "[ . 1 . 2]" 1
43 1 48 CYS H 1 49 SER H 3.360 . 3.700 2.281 2.060 2.544 . 0 0 "[ . 1 . 2]" 1
44 1 48 CYS H 1 50 GLU H 4.240 . 4.660 3.877 3.663 3.985 . 0 0 "[ . 1 . 2]" 1
45 1 49 SER H 1 50 GLU H 3.500 . 3.850 2.618 2.546 2.709 . 0 0 "[ . 1 . 2]" 1
46 1 49 SER H 1 51 ASN H 4.530 . 4.980 4.427 4.093 5.036 0.056 2 0 "[ . 1 . 2]" 1
47 1 50 GLU H 1 51 ASN H 3.550 . 3.910 2.666 2.472 3.343 . 0 0 "[ . 1 . 2]" 1
48 1 50 GLU H 1 52 MET H 4.080 . 4.490 4.490 4.168 4.594 0.104 15 0 "[ . 1 . 2]" 1
49 1 51 ASN H 1 52 MET H 3.860 . 4.250 2.597 2.285 3.534 . 0 0 "[ . 1 . 2]" 1
50 1 52 MET H 1 53 CYS H 3.210 . 3.530 1.950 1.776 2.305 0.024 8 0 "[ . 1 . 2]" 1
51 1 55 GLN H 1 56 LEU H 4.280 . 4.710 3.182 2.007 4.111 . 0 0 "[ . 1 . 2]" 1
52 1 57 CYS H 1 58 VAL H 4.800 . 5.760 3.972 2.975 4.159 . 0 0 "[ . 1 . 2]" 1
53 1 58 VAL H 1 59 ASN H 4.780 . 5.260 3.990 3.886 4.100 . 0 0 "[ . 1 . 2]" 1
54 1 58 VAL H 1 65 THR H 3.500 . 3.850 3.840 3.506 3.968 0.118 12 0 "[ . 1 . 2]" 1
55 1 58 VAL H 1 67 TYR H 4.390 . 4.830 3.354 3.247 3.881 . 0 0 "[ . 1 . 2]" 1
56 1 59 ASN H 1 60 TYR H 4.820 . 5.300 4.337 4.313 4.370 . 0 0 "[ . 1 . 2]" 1
57 1 60 TYR H 1 63 GLY H 4.270 . 4.700 4.769 4.736 4.804 0.104 15 0 "[ . 1 . 2]" 1
58 1 60 TYR H 1 65 THR H 4.330 . 4.760 3.732 3.587 3.905 . 0 0 "[ . 1 . 2]" 1
59 1 62 GLY H 1 63 GLY H 3.240 . 3.560 3.629 3.595 3.661 0.101 8 0 "[ . 1 . 2]" 1
60 1 63 GLY H 1 64 TYR H 3.950 . 4.350 4.283 4.207 4.333 . 0 0 "[ . 1 . 2]" 1
61 1 64 TYR H 1 65 THR H 4.650 . 5.110 4.531 4.476 4.567 . 0 0 "[ . 1 . 2]" 1
62 1 65 THR H 1 66 CYS H 4.640 . 5.100 4.290 4.258 4.311 . 0 0 "[ . 1 . 2]" 1
63 1 67 TYR H 1 68 CYS H 4.050 . 4.530 4.399 4.057 4.535 0.005 12 0 "[ . 1 . 2]" 1
64 1 69 ASP H 1 74 PHE H 4.470 . 4.920 3.504 3.090 3.732 . 0 0 "[ . 1 . 2]" 1
65 1 70 GLY H 1 71 LYS H 4.390 . 4.830 2.590 1.786 3.456 0.014 19 0 "[ . 1 . 2]" 1
66 1 73 GLY H 1 74 PHE H 3.820 . 4.200 2.896 2.736 3.243 . 0 0 "[ . 1 . 2]" 1
67 1 76 LEU H 1 77 ALA H 4.460 . 4.910 4.389 4.312 4.505 . 0 0 "[ . 1 . 2]" 1
68 1 78 GLN H 1 79 ASP H 4.640 . 5.100 2.773 2.561 3.007 . 0 0 "[ . 1 . 2]" 1
69 1 79 ASP H 1 80 GLN H 4.300 . 4.730 2.642 2.059 4.309 . 0 0 "[ . 1 . 2]" 1
70 1 80 GLN H 1 81 LYS H 4.240 . 4.660 2.720 1.993 3.243 . 0 0 "[ . 1 . 2]" 1
71 1 81 LYS H 1 82 SER H 4.100 . 4.510 2.121 1.898 2.367 . 0 0 "[ . 1 . 2]" 1
72 1 85 VAL H 1 86 VAL H 4.260 . 4.690 4.497 4.348 4.597 . 0 0 "[ . 1 . 2]" 1
73 1 86 VAL H 1 87 SER H 3.810 . 4.190 4.130 3.863 4.241 0.051 18 0 "[ . 1 . 2]" 1
74 1 16 ALA H 1 35 TYR QD 4.320 . 4.750 3.914 3.628 4.125 . 0 0 "[ . 1 . 2]" 1
75 1 16 ALA H 1 35 TYR QE 4.540 . 4.990 4.949 4.382 5.027 0.037 4 0 "[ . 1 . 2]" 1
76 1 25 PHE H 1 25 PHE QD 3.490 . 3.840 2.689 2.094 3.586 . 0 0 "[ . 1 . 2]" 1
77 1 31 GLU H 1 33 TYR QD 4.650 . 5.120 4.423 4.142 5.047 . 0 0 "[ . 1 . 2]" 1
78 1 33 TYR H 1 33 TYR QD 3.330 . 3.660 2.215 1.875 2.688 . 0 0 "[ . 1 . 2]" 1
79 1 33 TYR QD 1 34 ARG H 3.780 . 4.160 4.063 3.905 4.186 0.026 17 0 "[ . 1 . 2]" 1
80 1 35 TYR H 1 35 TYR QD 3.700 . 4.070 4.184 4.130 4.220 0.150 12 0 "[ . 1 . 2]" 1
81 1 35 TYR QD 1 36 ASN H 3.510 . 3.860 2.944 2.776 3.079 . 0 0 "[ . 1 . 2]" 1
82 1 35 TYR QE 1 36 ASN H 4.560 . 5.020 3.818 3.726 3.907 . 0 0 "[ . 1 . 2]" 1
83 1 35 TYR QD 1 37 LEU H 4.460 . 4.910 3.823 3.316 4.043 . 0 0 "[ . 1 . 2]" 1
84 1 35 TYR QE 1 37 LEU H 4.900 . 5.390 4.372 4.059 4.862 . 0 0 "[ . 1 . 2]" 1
85 1 35 TYR QD 1 40 LYS H 4.800 . 5.280 5.228 5.035 5.340 0.060 10 0 "[ . 1 . 2]" 1
86 1 35 TYR QE 1 40 LYS H 4.210 . 4.630 4.060 3.891 4.224 . 0 0 "[ . 1 . 2]" 1
87 1 35 TYR QD 1 41 SER H 4.570 . 5.030 4.288 3.944 4.498 . 0 0 "[ . 1 . 2]" 1
88 1 35 TYR QE 1 41 SER H 3.900 . 4.290 3.568 3.137 3.861 . 0 0 "[ . 1 . 2]" 1
89 1 33 TYR QD 1 43 GLU H 3.900 . 4.290 3.820 3.316 4.312 0.022 3 0 "[ . 1 . 2]" 1
90 1 35 TYR QD 1 43 GLU H 4.470 . 4.920 4.210 4.082 4.384 . 0 0 "[ . 1 . 2]" 1
91 1 33 TYR QR 1 44 ASP H 4.230 . 4.650 2.680 2.223 3.726 . 0 0 "[ . 1 . 2]" 1
92 1 33 TYR QD 1 45 ILE H 4.040 . 4.440 3.667 2.571 4.099 . 0 0 "[ . 1 . 2]" 1
93 1 47 GLU H 1 64 TYR QD 4.290 . 4.720 4.653 4.427 4.791 0.071 12 0 "[ . 1 . 2]" 1
94 1 48 CYS H 1 64 TYR QD 5.040 . 5.540 4.814 4.367 5.221 . 0 0 "[ . 1 . 2]" 1
95 1 57 CYS H 1 67 TYR QD 5.300 . 5.830 4.815 3.308 5.064 . 0 0 "[ . 1 . 2]" 1
96 1 57 CYS H 1 67 TYR QE 4.690 . 5.160 4.083 3.726 5.245 0.085 12 0 "[ . 1 . 2]" 1
97 1 58 VAL H 1 67 TYR QE 3.700 . 4.070 2.293 1.737 3.836 0.063 14 0 "[ . 1 . 2]" 1
98 1 58 VAL H 1 67 TYR QD 4.290 . 4.720 2.483 2.271 2.785 . 0 0 "[ . 1 . 2]" 1
99 1 59 ASN H 1 59 ASN QD 3.680 . 4.410 4.481 4.411 4.572 0.162 6 0 "[ . 1 . 2]" 1
100 1 60 TYR H 1 60 TYR QD 3.510 . 3.860 2.616 2.423 2.764 . 0 0 "[ . 1 . 2]" 1
101 1 64 TYR H 1 64 TYR QD 3.220 . 3.540 1.905 1.799 1.975 0.001 12 0 "[ . 1 . 2]" 1
102 1 64 TYR QD 1 65 THR H 3.340 . 3.670 2.698 2.444 3.007 . 0 0 "[ . 1 . 2]" 1
103 1 64 TYR QD 1 66 CYS H 4.030 . 4.430 4.241 3.925 4.440 0.010 12 0 "[ . 1 . 2]" 1
104 1 67 TYR QD 1 68 CYS H 3.980 . 4.380 4.065 2.280 4.467 0.087 2 0 "[ . 1 . 2]" 1
105 1 69 ASP H 1 74 PHE QD 4.210 . 4.630 3.285 2.644 3.633 . 0 0 "[ . 1 . 2]" 1
106 1 69 ASP H 1 74 PHE QE 4.740 . 5.210 3.002 2.619 3.696 . 0 0 "[ . 1 . 2]" 1
107 1 74 PHE H 1 74 PHE QD 3.970 . 4.370 2.855 2.296 3.445 . 0 0 "[ . 1 . 2]" 1
108 1 74 PHE QD 1 85 VAL H 4.530 . 4.980 4.194 3.794 4.416 . 0 0 "[ . 1 . 2]" 1
109 1 74 PHE QE 1 85 VAL H 4.580 . 5.040 5.045 4.759 5.137 0.097 19 0 "[ . 1 . 2]" 1
110 1 74 PHE QD 1 86 VAL H 4.690 . 5.160 4.788 4.547 5.048 . 0 0 "[ . 1 . 2]" 1
111 1 1 LYS HA 1 2 ASP H 4.230 . 4.650 2.352 2.143 2.684 . 0 0 "[ . 1 . 2]" 1
112 1 1 LYS HA 1 3 VAL H 5.230 . 5.750 5.017 4.583 5.564 . 0 0 "[ . 1 . 2]" 1
113 1 4 ASP HA 1 5 GLU H 3.350 . 3.690 2.229 2.178 2.309 . 0 0 "[ . 1 . 2]" 1
114 1 6 CYS HA 1 7 SER H 4.330 . 4.760 3.358 3.137 3.454 . 0 0 "[ . 1 . 2]" 1
115 1 7 SER HA 1 8 LEU H 3.930 2.800 4.320 3.142 2.979 3.327 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU HA 1 9 LYS H 3.550 . 3.910 3.516 3.457 3.563 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE HA 1 13 CYS H 4.050 . 4.460 3.518 3.440 3.542 . 0 0 "[ . 1 . 2]" 1
118 1 13 CYS HA 1 14 GLY H 2.760 . 3.040 2.808 2.173 3.071 0.031 4 0 "[ . 1 . 2]" 1
119 1 14 GLY QA 1 15 THR H 4.230 . 4.650 2.590 2.252 2.727 . 0 0 "[ . 1 . 2]" 1
120 1 14 GLY QA 1 16 ALA H 3.500 . 3.850 3.839 3.728 3.926 0.076 12 0 "[ . 1 . 2]" 1
121 1 15 THR HA 1 16 ALA H 3.810 . 4.190 2.690 2.617 2.805 . 0 0 "[ . 1 . 2]" 1
122 1 16 ALA HA 1 17 VAL H 3.160 . 3.480 3.460 2.984 3.528 0.048 2 0 "[ . 1 . 2]" 1
123 1 17 VAL H 1 27 CYS HA 4.260 . 4.690 4.524 4.137 4.724 0.034 15 0 "[ . 1 . 2]" 1
124 1 17 VAL HA 1 18 CYS H 3.110 . 3.420 2.750 2.445 2.967 . 0 0 "[ . 1 . 2]" 1
125 1 19 LYS HA 1 20 ASN H 2.880 . 3.170 2.231 2.162 2.302 . 0 0 "[ . 1 . 2]" 1
126 1 20 ASN HA 1 21 ILE H 2.870 . 3.160 2.353 2.306 2.413 . 0 0 "[ . 1 . 2]" 1
127 1 21 ILE H 1 25 PHE HA 3.170 . 3.490 3.213 2.976 3.493 0.003 16 0 "[ . 1 . 2]" 1
128 1 22 PRO HA 1 23 GLY H 3.140 . 3.450 3.516 3.506 3.528 0.078 13 0 "[ . 1 . 2]" 1
129 1 22 PRO HA 1 24 ASP H 5.000 . 5.500 5.054 4.993 5.111 . 0 0 "[ . 1 . 2]" 1
130 1 23 GLY QA 1 24 ASP H 3.800 . 4.180 2.623 2.558 2.676 . 0 0 "[ . 1 . 2]" 1
131 1 24 ASP HA 1 25 PHE H 3.210 . 3.530 2.699 2.500 2.814 . 0 0 "[ . 1 . 2]" 1
132 1 25 PHE HA 1 26 GLU H 3.620 . 3.980 2.297 2.203 2.403 . 0 0 "[ . 1 . 2]" 1
133 1 26 GLU HA 1 27 CYS H 2.650 . 2.920 2.399 2.120 2.742 . 0 0 "[ . 1 . 2]" 1
134 1 18 CYS HA 1 28 GLU H 4.450 . 4.900 3.715 3.242 4.083 . 0 0 "[ . 1 . 2]" 1
135 1 27 CYS HA 1 28 GLU H 3.460 . 3.810 2.376 2.198 2.579 . 0 0 "[ . 1 . 2]" 1
136 1 28 GLU HA 1 29 CYS H 3.670 . 4.040 3.322 3.242 3.412 . 0 0 "[ . 1 . 2]" 1
137 1 30 PRO HA 1 31 GLU H 2.770 . 3.050 2.482 2.253 2.727 . 0 0 "[ . 1 . 2]" 1
138 1 31 GLU HA 1 32 GLY H 2.940 . 3.230 2.682 2.151 3.225 . 0 0 "[ . 1 . 2]" 1
139 1 29 CYS HA 1 33 TYR H 4.900 . 5.390 5.495 5.408 5.553 0.163 12 0 "[ . 1 . 2]" 1
140 1 31 GLU HA 1 33 TYR H 3.400 . 3.780 3.946 3.742 4.121 0.341 1 0 "[ . 1 . 2]" 1
141 1 32 GLY QA 1 33 TYR H 3.490 . 4.190 2.858 2.732 2.997 . 0 0 "[ . 1 . 2]" 1
142 1 33 TYR HA 1 34 ARG H 2.970 . 3.560 2.089 2.044 2.124 . 0 0 "[ . 1 . 2]" 1
143 1 34 ARG H 1 44 ASP HA 3.910 . 4.690 3.382 3.285 3.524 . 0 0 "[ . 1 . 2]" 1
144 1 34 ARG H 1 45 ILE HA 5.050 . 5.560 2.670 2.548 2.801 . 0 0 "[ . 1 . 2]" 1
145 1 13 CYS HA 1 35 TYR H 3.020 . 3.620 2.014 1.797 2.675 0.003 1 0 "[ . 1 . 2]" 1
146 1 34 ARG HA 1 35 TYR H 3.020 . 3.620 2.178 2.111 2.247 . 0 0 "[ . 1 . 2]" 1
147 1 35 TYR HA 1 36 ASN H 2.980 . 3.280 2.326 2.259 2.380 . 0 0 "[ . 1 . 2]" 1
148 1 36 ASN H 1 42 CYS HA 3.840 . 4.220 3.712 3.381 3.970 . 0 0 "[ . 1 . 2]" 1
149 1 37 LEU HA 1 38 LYS H 3.970 . 4.370 3.409 3.374 3.448 . 0 0 "[ . 1 . 2]" 1
150 1 38 LYS H 1 39 SER HA 4.680 . 5.150 5.210 5.159 5.254 0.104 7 0 "[ . 1 . 2]" 1
151 1 37 LEU HA 1 39 SER H 4.290 . 4.720 4.226 4.069 4.332 . 0 0 "[ . 1 . 2]" 1
152 1 38 LYS HA 1 39 SER H 3.660 . 4.030 3.515 3.491 3.547 . 0 0 "[ . 1 . 2]" 1
153 1 39 SER H 1 40 LYS HA 3.790 . 4.170 4.218 4.164 4.282 0.112 5 0 "[ . 1 . 2]" 1
154 1 37 LEU HA 1 40 LYS H 3.720 . 4.090 2.989 2.921 3.138 . 0 0 "[ . 1 . 2]" 1
155 1 39 SER HA 1 40 LYS H 3.860 . 4.250 3.328 3.250 3.405 . 0 0 "[ . 1 . 2]" 1
156 1 35 TYR HA 1 41 SER H 4.360 . 4.800 4.870 4.746 4.986 0.186 14 0 "[ . 1 . 2]" 1
157 1 39 SER HA 1 41 SER H 4.660 . 5.130 4.911 4.435 5.257 0.127 7 0 "[ . 1 . 2]" 1
158 1 40 LYS HA 1 41 SER H 3.040 . 3.340 2.504 2.322 2.733 . 0 0 "[ . 1 . 2]" 1
159 1 41 SER HA 1 42 CYS H 3.280 . 3.610 2.376 2.332 2.405 . 0 0 "[ . 1 . 2]" 1
160 1 35 TYR HA 1 43 GLU H 3.990 . 4.390 2.747 2.515 2.976 . 0 0 "[ . 1 . 2]" 1
161 1 42 CYS HA 1 43 GLU H 2.990 . 3.290 2.238 2.207 2.295 . 0 0 "[ . 1 . 2]" 1
162 1 33 TYR HA 1 44 ASP H 4.150 . 4.570 4.836 4.781 4.955 0.385 17 0 "[ . 1 . 2]" 1
163 1 43 GLU HA 1 44 ASP H 3.350 . 3.710 2.130 2.069 2.347 . 0 0 "[ . 1 . 2]" 1
164 1 33 TYR HA 1 45 ILE H 3.670 . 4.040 2.347 2.200 2.491 . 0 0 "[ . 1 . 2]" 1
165 1 44 ASP HA 1 45 ILE H 3.260 . 3.590 2.187 2.127 2.265 . 0 0 "[ . 1 . 2]" 1
166 1 45 ILE HA 1 46 ASP H 3.470 . 3.820 2.358 2.336 2.392 . 0 0 "[ . 1 . 2]" 1
167 1 45 ILE HA 1 47 GLU H 4.650 . 5.120 4.645 4.572 4.748 . 0 0 "[ . 1 . 2]" 1
168 1 46 ASP HA 1 47 GLU H 3.360 . 3.720 2.556 2.521 2.604 . 0 0 "[ . 1 . 2]" 1
169 1 46 ASP HA 1 48 CYS H 3.810 . 4.190 3.393 3.206 3.607 . 0 0 "[ . 1 . 2]" 1
170 1 48 CYS H 1 59 ASN HA 5.180 . 5.700 5.130 4.523 5.660 . 0 0 "[ . 1 . 2]" 1
171 1 46 ASP HA 1 49 SER H 4.650 . 5.120 3.523 3.374 3.739 . 0 0 "[ . 1 . 2]" 1
172 1 48 CYS HA 1 49 SER H 3.810 . 4.190 3.478 3.453 3.500 . 0 0 "[ . 1 . 2]" 1
173 1 47 GLU HA 1 50 GLU H 4.020 . 4.420 4.127 3.653 4.314 . 0 0 "[ . 1 . 2]" 1
174 1 48 CYS HA 1 50 GLU H 3.720 . 4.090 3.660 3.548 3.857 . 0 0 "[ . 1 . 2]" 1
175 1 50 GLU HA 1 51 ASN H 3.480 . 3.830 3.415 2.613 3.612 . 0 0 "[ . 1 . 2]" 1
176 1 51 ASN HA 1 52 MET H 3.340 . 3.670 2.500 2.384 2.625 . 0 0 "[ . 1 . 2]" 1
177 1 51 ASN HA 1 53 CYS H 3.770 . 4.150 3.532 3.109 3.980 . 0 0 "[ . 1 . 2]" 1
178 1 52 MET HA 1 53 CYS H 3.870 . 4.260 3.315 2.888 3.507 . 0 0 "[ . 1 . 2]" 1
179 1 55 GLN HA 1 56 LEU H 3.570 . 3.930 3.536 3.462 3.589 . 0 0 "[ . 1 . 2]" 1
180 1 56 LEU H 1 68 CYS HA 4.290 . 4.720 3.020 1.866 3.960 . 0 0 "[ . 1 . 2]" 1
181 1 56 LEU HA 1 57 CYS H 3.100 . 3.410 2.247 2.158 2.905 . 0 0 "[ . 1 . 2]" 1
182 1 57 CYS HA 1 58 VAL H 3.110 . 3.420 2.315 2.193 2.500 . 0 0 "[ . 1 . 2]" 1
183 1 58 VAL H 1 66 CYS HA 4.100 . 4.510 3.188 3.002 3.416 . 0 0 "[ . 1 . 2]" 1
184 1 58 VAL HA 1 59 ASN H 3.020 . 3.320 2.164 2.116 2.222 . 0 0 "[ . 1 . 2]" 1
185 1 60 TYR H 1 63 GLY QA 4.860 . 5.350 4.656 4.631 4.685 . 0 0 "[ . 1 . 2]" 1
186 1 60 TYR H 1 64 TYR HA 3.550 . 3.910 2.077 1.971 2.197 . 0 0 "[ . 1 . 2]" 1
187 1 44 ASP HA 1 62 GLY H 4.010 . 4.410 3.776 3.282 4.152 . 0 0 "[ . 1 . 2]" 1
188 1 61 PRO HA 1 62 GLY H 3.080 . 3.390 2.232 2.212 2.261 . 0 0 "[ . 1 . 2]" 1
189 1 62 GLY HA3 1 63 GLY H 3.630 . 3.990 2.460 2.427 2.530 . 0 0 "[ . 1 . 2]" 1
190 1 62 GLY HA2 1 63 GLY H 3.630 . 3.990 3.553 3.545 3.570 . 0 0 "[ . 1 . 2]" 1
191 1 63 GLY HA3 1 64 TYR H 3.130 . 3.440 3.417 3.385 3.465 0.025 16 0 "[ . 1 . 2]" 1
192 1 63 GLY HA2 1 64 TYR H 3.130 . 3.440 2.206 2.183 2.245 . 0 0 "[ . 1 . 2]" 1
193 1 59 ASN HA 1 65 THR H 4.140 . 4.550 2.171 1.975 2.529 . 0 0 "[ . 1 . 2]" 1
194 1 64 TYR HA 1 65 THR H 3.180 . 3.500 2.600 2.492 2.669 . 0 0 "[ . 1 . 2]" 1
195 1 57 CYS HA 1 67 TYR H 4.260 . 4.710 3.261 2.938 3.563 . 0 0 "[ . 1 . 2]" 1
196 1 66 CYS HA 1 67 TYR H 3.430 . 4.120 2.174 2.120 2.217 . 0 0 "[ . 1 . 2]" 1
197 1 68 CYS HA 1 69 ASP H 3.280 . 3.610 2.879 2.391 3.581 . 0 0 "[ . 1 . 2]" 1
198 1 72 LYS HA 1 73 GLY H 3.870 . 4.260 3.408 3.143 3.545 . 0 0 "[ . 1 . 2]" 1
199 1 70 GLY QA 1 74 PHE H 4.230 . 4.650 4.632 4.381 4.774 0.124 8 0 "[ . 1 . 2]" 1
200 1 73 GLY QA 1 74 PHE H 3.450 . 3.800 2.455 2.368 2.539 . 0 0 "[ . 1 . 2]" 1
201 1 74 PHE HA 1 75 LYS H 3.230 . 3.880 3.256 3.146 3.327 . 0 0 "[ . 1 . 2]" 1
202 1 75 LYS HA 1 76 LEU H 3.110 . 3.420 2.368 2.194 2.566 . 0 0 "[ . 1 . 2]" 1
203 1 77 ALA H 1 83 CYS HA 4.100 . 4.510 2.216 1.750 2.766 0.050 16 0 "[ . 1 . 2]" 1
204 1 77 ALA H 1 84 GLU HA 4.490 . 4.940 4.951 4.365 5.053 0.113 13 0 "[ . 1 . 2]" 1
205 1 77 ALA HA 1 78 GLN H 3.690 . 4.060 2.626 2.534 2.716 . 0 0 "[ . 1 . 2]" 1
206 1 78 GLN HA 1 79 ASP H 4.150 . 4.570 3.265 3.118 3.556 . 0 0 "[ . 1 . 2]" 1
207 1 78 GLN HA 1 80 GLN H 4.480 . 4.930 4.161 3.717 5.111 0.181 19 0 "[ . 1 . 2]" 1
208 1 79 ASP HA 1 80 GLN H 3.790 . 4.170 3.348 2.132 3.541 . 0 0 "[ . 1 . 2]" 1
209 1 80 GLN HA 1 81 LYS H 4.080 . 4.490 3.344 2.782 3.562 . 0 0 "[ . 1 . 2]" 1
210 1 82 SER HA 1 83 CYS H 3.100 . 3.410 2.609 2.393 2.740 . 0 0 "[ . 1 . 2]" 1
211 1 83 CYS HA 1 84 GLU H 4.000 . 4.400 2.202 2.153 2.280 . 0 0 "[ . 1 . 2]" 1
212 1 84 GLU HA 1 85 VAL H 2.860 . 3.150 2.261 2.137 2.403 . 0 0 "[ . 1 . 2]" 1
213 1 74 PHE HA 1 86 VAL H 3.710 . 4.080 3.629 3.256 3.878 . 0 0 "[ . 1 . 2]" 1
214 1 85 VAL HA 1 86 VAL H 2.750 . 3.030 2.229 2.134 2.426 . 0 0 "[ . 1 . 2]" 1
215 1 86 VAL HA 1 87 SER H 2.750 . 3.030 2.241 2.112 3.088 0.058 7 0 "[ . 1 . 2]" 1
216 1 2 ASP HB3 1 3 VAL H 4.080 . 4.490 3.549 3.365 3.685 . 0 0 "[ . 1 . 2]" 1
217 1 2 ASP HB2 1 3 VAL H 4.080 . 4.490 2.306 1.946 2.594 . 0 0 "[ . 1 . 2]" 1
218 1 3 VAL H 1 3 VAL HB 3.640 . 4.000 3.294 2.916 3.950 . 0 0 "[ . 1 . 2]" 1
219 1 5 GLU H 1 7 SER QB 4.830 . 5.310 3.824 3.582 4.559 . 0 0 "[ . 1 . 2]" 1
220 1 5 GLU H 1 8 LEU QB 3.850 . 4.240 4.230 3.833 4.277 0.037 1 0 "[ . 1 . 2]" 1
221 1 5 GLU H 1 15 THR MG 4.150 . 4.560 4.617 4.601 4.645 0.085 17 0 "[ . 1 . 2]" 1
222 1 7 SER H 1 7 SER HB3 3.500 . 3.850 3.223 2.489 3.678 . 0 0 "[ . 1 . 2]" 1
223 1 7 SER H 1 7 SER HB2 3.500 . 3.850 2.531 2.217 2.900 . 0 0 "[ . 1 . 2]" 1
224 1 7 SER H 1 8 LEU QB 4.020 . 4.420 3.931 3.537 4.138 . 0 0 "[ . 1 . 2]" 1
225 1 7 SER QB 1 8 LEU H 3.400 . 3.740 3.575 3.321 3.752 0.012 12 0 "[ . 1 . 2]" 1
226 1 8 LEU H 1 8 LEU QB 3.160 . 3.480 2.144 2.041 2.229 . 0 0 "[ . 1 . 2]" 1
227 1 8 LEU QB 1 9 LYS H 3.140 . 3.450 2.576 1.977 2.931 . 0 0 "[ . 1 . 2]" 1
228 1 9 LYS H 1 12 ILE HB 4.640 . 5.100 4.277 3.588 4.670 . 0 0 "[ . 1 . 2]" 1
229 1 9 LYS QB 1 12 ILE H 3.900 . 4.290 4.110 3.624 4.307 0.017 16 0 "[ . 1 . 2]" 1
230 1 12 ILE H 1 12 ILE HB 3.300 . 3.630 2.563 2.473 2.618 . 0 0 "[ . 1 . 2]" 1
231 1 13 CYS H 1 13 CYS HB3 3.650 . 4.020 3.392 2.896 3.691 . 0 0 "[ . 1 . 2]" 1
232 1 13 CYS H 1 13 CYS HB2 3.650 . 4.020 2.833 2.608 3.490 . 0 0 "[ . 1 . 2]" 1
233 1 15 THR H 1 15 THR HB 3.180 . 3.520 3.674 3.628 3.773 0.253 13 0 "[ . 1 . 2]" 1
234 1 13 CYS QB 1 16 ALA H 4.640 . 5.100 3.024 2.780 4.005 . 0 0 "[ . 1 . 2]" 1
235 1 15 THR HB 1 16 ALA H 4.250 . 4.680 4.264 4.215 4.384 . 0 0 "[ . 1 . 2]" 1
236 1 16 ALA MB 1 17 VAL H 3.580 . 3.940 1.974 1.797 2.143 0.003 5 0 "[ . 1 . 2]" 1
237 1 17 VAL H 1 17 VAL HB 3.080 . 3.390 2.963 2.588 3.057 . 0 0 "[ . 1 . 2]" 1
238 1 17 VAL HB 1 18 CYS H 4.490 . 4.940 4.196 4.040 4.449 . 0 0 "[ . 1 . 2]" 1
239 1 18 CYS H 1 18 CYS HB3 3.070 . 3.380 2.918 2.104 3.456 0.076 15 0 "[ . 1 . 2]" 1
240 1 18 CYS H 1 18 CYS HB2 3.070 . 3.380 3.465 3.308 3.530 0.150 19 0 "[ . 1 . 2]" 1
241 1 1 LYS QE 1 20 ASN H 3.390 . 3.730 3.292 2.602 3.704 . 0 0 "[ . 1 . 2]" 1
242 1 19 LYS QB 1 20 ASN H 3.770 . 4.150 3.826 3.527 3.980 . 0 0 "[ . 1 . 2]" 1
243 1 20 ASN H 1 20 ASN QB 3.430 . 3.770 2.292 2.221 2.373 . 0 0 "[ . 1 . 2]" 1
244 1 20 ASN QB 1 21 ILE H 3.500 . 3.850 3.165 3.023 3.281 . 0 0 "[ . 1 . 2]" 1
245 1 21 ILE H 1 21 ILE HB 3.870 . 4.260 3.833 3.780 3.896 . 0 0 "[ . 1 . 2]" 1
246 1 21 ILE H 1 25 PHE QB 3.860 . 4.250 3.966 3.623 4.296 0.046 20 0 "[ . 1 . 2]" 1
247 1 24 ASP H 1 24 ASP QB 3.120 . 3.430 2.961 2.903 3.033 . 0 0 "[ . 1 . 2]" 1
248 1 24 ASP QB 1 25 PHE H 3.060 . 3.370 2.216 2.010 2.581 . 0 0 "[ . 1 . 2]" 1
249 1 26 GLU H 1 26 GLU QB 3.350 . 3.690 2.703 2.447 2.858 . 0 0 "[ . 1 . 2]" 1
250 1 26 GLU QB 1 27 CYS H 2.870 . 3.160 2.729 2.063 3.310 0.150 16 0 "[ . 1 . 2]" 1
251 1 27 CYS H 1 27 CYS QB 3.380 . 3.720 2.840 2.259 3.461 . 0 0 "[ . 1 . 2]" 1
252 1 16 ALA MB 1 28 GLU H 3.820 . 4.200 4.071 3.294 4.261 0.061 20 0 "[ . 1 . 2]" 1
253 1 28 GLU H 1 28 GLU QB 3.500 . 3.850 2.203 2.051 2.388 . 0 0 "[ . 1 . 2]" 1
254 1 28 GLU QB 1 29 CYS H 2.950 . 3.250 3.277 3.144 3.361 0.111 3 0 "[ . 1 . 2]" 1
255 1 29 CYS H 1 29 CYS QB 3.260 . 3.590 2.128 2.036 2.331 . 0 0 "[ . 1 . 2]" 1
256 1 30 PRO QB 1 31 GLU H 4.250 . 4.680 3.667 3.003 3.955 . 0 0 "[ . 1 . 2]" 1
257 1 31 GLU H 1 31 GLU QB 3.260 . 3.590 3.383 3.196 3.543 . 0 0 "[ . 1 . 2]" 1
258 1 31 GLU QB 1 32 GLY H 3.590 . 3.950 2.505 1.712 3.609 0.088 3 0 "[ . 1 . 2]" 1
259 1 29 CYS QB 1 33 TYR H 3.900 . 4.290 3.211 2.919 3.514 . 0 0 "[ . 1 . 2]" 1
260 1 31 GLU QB 1 33 TYR H 3.300 . 3.630 3.119 2.441 3.860 0.230 9 0 "[ . 1 . 2]" 1
261 1 33 TYR H 1 33 TYR QB 3.000 . 3.300 2.255 2.100 2.475 . 0 0 "[ . 1 . 2]" 1
262 1 33 TYR H 1 45 ILE HB 4.460 . 4.910 4.081 3.786 4.245 . 0 0 "[ . 1 . 2]" 1
263 1 29 CYS QB 1 34 ARG H 3.700 . 4.060 4.181 4.104 4.284 0.224 17 0 "[ . 1 . 2]" 1
264 1 33 TYR QB 1 34 ARG H 3.190 . 3.510 2.984 2.622 3.255 . 0 0 "[ . 1 . 2]" 1
265 1 34 ARG H 1 34 ARG QB 3.320 . 3.650 2.209 2.128 2.453 . 0 0 "[ . 1 . 2]" 1
266 1 34 ARG H 1 45 ILE HB 3.800 . 4.180 2.735 2.590 2.864 . 0 0 "[ . 1 . 2]" 1
267 1 29 CYS QB 1 35 TYR H 4.020 . 4.220 4.146 3.672 4.307 0.087 2 0 "[ . 1 . 2]" 1
268 1 34 ARG QB 1 35 TYR H 3.450 . 3.800 3.216 3.011 3.388 . 0 0 "[ . 1 . 2]" 1
269 1 35 TYR H 1 35 TYR QB 3.500 . 3.850 2.305 2.200 2.426 . 0 0 "[ . 1 . 2]" 1
270 1 35 TYR HB3 1 36 ASN H 4.000 . 4.400 3.642 3.539 3.757 . 0 0 "[ . 1 . 2]" 1
271 1 35 TYR HB2 1 36 ASN H 4.000 . 4.400 3.946 3.893 4.033 . 0 0 "[ . 1 . 2]" 1
272 1 36 ASN H 1 36 ASN HB3 3.280 . 3.610 3.361 3.026 3.680 0.070 6 0 "[ . 1 . 2]" 1
273 1 36 ASN H 1 36 ASN HB2 3.280 . 3.610 2.651 2.471 3.392 . 0 0 "[ . 1 . 2]" 1
274 1 36 ASN QB 1 37 LEU H 3.460 . 3.810 3.482 3.196 3.772 . 0 0 "[ . 1 . 2]" 1
275 1 37 LEU H 1 37 LEU QB 2.910 . 3.200 2.229 2.098 2.266 . 0 0 "[ . 1 . 2]" 1
276 1 37 LEU H 1 38 LYS QB 4.100 . 4.510 4.296 4.041 4.524 0.014 16 0 "[ . 1 . 2]" 1
277 1 36 ASN QB 1 38 LYS H 4.700 . 5.170 2.899 2.614 3.328 . 0 0 "[ . 1 . 2]" 1
278 1 38 LYS H 1 38 LYS QB 2.840 . 3.120 2.188 2.038 2.386 . 0 0 "[ . 1 . 2]" 1
279 1 36 ASN QB 1 39 SER H 3.510 . 3.860 2.526 2.167 2.832 . 0 0 "[ . 1 . 2]" 1
280 1 38 LYS QB 1 39 SER H 3.130 . 3.440 2.501 2.449 2.564 . 0 0 "[ . 1 . 2]" 1
281 1 39 SER H 1 39 SER HB3 3.600 . 3.960 3.420 2.688 3.765 . 0 0 "[ . 1 . 2]" 1
282 1 39 SER H 1 39 SER HB2 3.600 . 3.960 2.551 2.344 2.950 . 0 0 "[ . 1 . 2]" 1
283 1 36 ASN QB 1 40 LYS H 3.620 . 3.980 3.441 3.097 3.734 . 0 0 "[ . 1 . 2]" 1
284 1 38 LYS QB 1 40 LYS H 3.830 . 4.210 4.161 4.072 4.248 0.038 17 0 "[ . 1 . 2]" 1
285 1 39 SER QB 1 40 LYS H 3.700 . 4.070 3.261 3.028 3.426 . 0 0 "[ . 1 . 2]" 1
286 1 40 LYS H 1 40 LYS QB 3.710 . 4.080 3.224 3.064 3.403 . 0 0 "[ . 1 . 2]" 1
287 1 36 ASN QB 1 41 SER H 3.300 . 3.630 3.418 3.200 3.673 0.043 6 0 "[ . 1 . 2]" 1
288 1 39 SER QB 1 41 SER H 4.020 . 4.420 3.301 2.613 3.911 . 0 0 "[ . 1 . 2]" 1
289 1 40 LYS QB 1 41 SER H 3.880 . 4.270 3.856 3.798 3.883 . 0 0 "[ . 1 . 2]" 1
290 1 41 SER H 1 41 SER QB 3.410 . 3.750 2.768 2.439 3.305 . 0 0 "[ . 1 . 2]" 1
291 1 41 SER QB 1 42 CYS H 3.300 . 3.630 2.741 2.403 3.333 . 0 0 "[ . 1 . 2]" 1
292 1 42 CYS H 1 42 CYS QB 3.560 . 3.920 2.278 2.153 2.405 . 0 0 "[ . 1 . 2]" 1
293 1 33 TYR QB 1 43 GLU H 3.770 . 4.150 3.249 2.928 3.755 . 0 0 "[ . 1 . 2]" 1
294 1 34 ARG QB 1 43 GLU H 4.110 . 4.520 4.300 4.159 4.589 0.069 2 0 "[ . 1 . 2]" 1
295 1 42 CYS QB 1 43 GLU H 3.520 . 3.870 3.348 2.912 3.727 . 0 0 "[ . 1 . 2]" 1
296 1 43 GLU H 1 43 GLU QB 3.280 . 3.610 2.697 2.617 2.820 . 0 0 "[ . 1 . 2]" 1
297 1 43 GLU QB 1 44 ASP H 3.520 . 3.870 3.242 2.617 3.757 . 0 0 "[ . 1 . 2]" 1
298 1 44 ASP H 1 44 ASP QB 3.190 . 3.510 2.282 2.132 2.360 . 0 0 "[ . 1 . 2]" 1
299 1 34 ARG QB 1 45 ILE H 4.440 . 4.880 4.282 4.048 4.758 . 0 0 "[ . 1 . 2]" 1
300 1 44 ASP QB 1 45 ILE H 3.750 . 4.130 3.243 2.613 3.582 . 0 0 "[ . 1 . 2]" 1
301 1 45 ILE H 1 45 ILE HB 3.180 . 3.500 2.533 2.474 2.578 . 0 0 "[ . 1 . 2]" 1
302 1 46 ASP H 1 46 ASP HB3 3.800 2.200 4.180 3.344 2.793 3.468 . 0 0 "[ . 1 . 2]" 1
303 1 46 ASP H 1 46 ASP HB2 3.800 2.200 4.180 2.387 2.251 3.717 . 0 0 "[ . 1 . 2]" 1
304 1 45 ILE HB 1 47 GLU H 5.000 . 5.500 4.916 4.782 5.015 . 0 0 "[ . 1 . 2]" 1
305 1 46 ASP QB 1 47 GLU H 4.070 . 4.480 3.927 3.900 4.014 . 0 0 "[ . 1 . 2]" 1
306 1 47 GLU H 1 47 GLU QB 3.620 . 3.980 2.459 2.204 2.688 . 0 0 "[ . 1 . 2]" 1
307 1 48 CYS H 1 48 CYS QB 3.120 . 3.430 2.366 2.107 2.606 . 0 0 "[ . 1 . 2]" 1
308 1 48 CYS H 1 49 SER QB 4.230 . 4.650 4.061 3.794 4.659 0.009 19 0 "[ . 1 . 2]" 1
309 1 48 CYS H 1 57 CYS QB 4.150 . 4.570 4.570 4.374 4.662 0.092 16 0 "[ . 1 . 2]" 1
310 1 48 CYS H 1 59 ASN QB 3.630 . 3.990 2.790 2.102 3.448 . 0 0 "[ . 1 . 2]" 1
311 1 46 ASP QB 1 49 SER H 3.940 . 4.330 2.970 2.681 3.377 . 0 0 "[ . 1 . 2]" 1
312 1 48 CYS QB 1 49 SER H 3.250 . 3.580 3.422 3.112 3.595 0.015 17 0 "[ . 1 . 2]" 1
313 1 49 SER H 1 49 SER QB 3.080 . 3.390 2.182 2.076 2.701 . 0 0 "[ . 1 . 2]" 1
314 1 49 SER H 1 50 GLU QB 3.950 . 4.350 4.416 4.377 4.429 0.079 7 0 "[ . 1 . 2]" 1
315 1 49 SER H 1 57 CYS QB 4.730 . 5.200 5.174 5.059 5.245 0.045 8 0 "[ . 1 . 2]" 1
316 1 49 SER QB 1 50 GLU H 3.590 . 3.950 3.070 2.892 3.541 . 0 0 "[ . 1 . 2]" 1
317 1 50 GLU H 1 50 GLU HB3 3.510 . 3.860 3.421 2.228 3.527 . 0 0 "[ . 1 . 2]" 1
318 1 50 GLU H 1 50 GLU HB2 3.510 . 3.860 2.249 2.096 3.508 . 0 0 "[ . 1 . 2]" 1
319 1 50 GLU QB 1 51 ASN H 3.730 . 4.100 2.943 2.228 3.875 . 0 0 "[ . 1 . 2]" 1
320 1 51 ASN H 1 51 ASN HB3 3.890 . 4.280 3.869 3.377 4.104 . 0 0 "[ . 1 . 2]" 1
321 1 51 ASN H 1 51 ASN HB2 3.890 . 4.280 3.475 2.987 4.130 . 0 0 "[ . 1 . 2]" 1
322 1 48 CYS QB 1 52 MET H 4.560 . 5.020 4.134 3.626 4.758 . 0 0 "[ . 1 . 2]" 1
323 1 51 ASN HB3 1 52 MET H 4.420 . 4.860 4.388 4.201 4.662 . 0 0 "[ . 1 . 2]" 1
324 1 51 ASN HB2 1 52 MET H 4.420 . 4.860 4.581 4.312 4.669 . 0 0 "[ . 1 . 2]" 1
325 1 52 MET H 1 52 MET HB3 3.650 . 4.020 3.801 3.276 3.886 . 0 0 "[ . 1 . 2]" 1
326 1 52 MET H 1 52 MET HB2 3.650 . 4.020 3.058 2.807 3.817 . 0 0 "[ . 1 . 2]" 1
327 1 52 MET H 1 53 CYS QB 4.000 . 4.400 3.892 3.520 4.381 . 0 0 "[ . 1 . 2]" 1
328 1 52 MET QB 1 53 CYS H 3.940 . 4.330 3.229 2.725 4.012 . 0 0 "[ . 1 . 2]" 1
329 1 53 CYS H 1 53 CYS HB3 3.510 . 3.860 3.662 3.564 3.775 . 0 0 "[ . 1 . 2]" 1
330 1 53 CYS H 1 57 CYS HB2 4.030 . 4.430 4.350 4.093 4.505 0.075 19 0 "[ . 1 . 2]" 1
331 1 54 ALA MB 1 55 GLN H 3.700 . 4.070 2.130 1.840 2.948 . 0 0 "[ . 1 . 2]" 1
332 1 55 GLN H 1 55 GLN QB 3.480 . 3.830 2.411 2.078 3.058 . 0 0 "[ . 1 . 2]" 1
333 1 55 GLN QB 1 56 LEU H 3.040 . 3.340 2.189 1.759 2.723 0.041 9 0 "[ . 1 . 2]" 1
334 1 56 LEU H 1 56 LEU HB3 3.820 . 4.200 3.692 3.439 3.820 . 0 0 "[ . 1 . 2]" 1
335 1 56 LEU H 1 56 LEU HB2 3.820 . 4.200 2.563 2.275 2.762 . 0 0 "[ . 1 . 2]" 1
336 1 48 CYS HB2 1 57 CYS H 4.440 . 4.880 4.896 4.674 5.001 0.121 1 0 "[ . 1 . 2]" 1
337 1 56 LEU QB 1 57 CYS H 3.340 . 3.670 3.123 1.785 3.608 0.015 12 0 "[ . 1 . 2]" 1
338 1 57 CYS H 1 57 CYS QB 3.340 . 3.670 2.781 2.601 3.292 . 0 0 "[ . 1 . 2]" 1
339 1 57 CYS QB 1 58 VAL H 3.940 . 4.330 3.789 3.615 4.027 . 0 0 "[ . 1 . 2]" 1
340 1 58 VAL H 1 65 THR HB 4.240 . 4.660 3.616 3.035 3.944 . 0 0 "[ . 1 . 2]" 1
341 1 58 VAL HB 1 59 ASN H 3.890 . 4.280 4.482 4.342 4.520 0.240 6 0 "[ . 1 . 2]" 1
342 1 59 ASN H 1 59 ASN HB3 3.470 . 3.820 2.393 2.247 2.706 . 0 0 "[ . 1 . 2]" 1
343 1 59 ASN H 1 59 ASN HB2 3.470 . 3.820 2.851 2.448 3.045 . 0 0 "[ . 1 . 2]" 1
344 1 59 ASN QB 1 60 TYR H 3.770 . 4.150 4.039 4.006 4.089 . 0 0 "[ . 1 . 2]" 1
345 1 60 TYR H 1 60 TYR QB 3.550 . 3.900 2.842 2.728 2.952 . 0 0 "[ . 1 . 2]" 1
346 1 60 TYR H 1 64 TYR QB 3.950 . 4.350 3.824 3.651 3.988 . 0 0 "[ . 1 . 2]" 1
347 1 44 ASP QB 1 62 GLY H 3.430 . 3.770 2.998 1.912 3.814 0.044 3 0 "[ . 1 . 2]" 1
348 1 61 PRO QB 1 62 GLY H 3.500 . 3.840 3.715 3.678 3.760 . 0 0 "[ . 1 . 2]" 1
349 1 58 VAL HB 1 65 THR H 4.300 . 4.730 4.623 4.232 4.774 0.044 9 0 "[ . 1 . 2]" 1
350 1 64 TYR QB 1 65 THR H 3.230 . 3.550 2.064 1.957 2.196 . 0 0 "[ . 1 . 2]" 1
351 1 65 THR H 1 65 THR HB 3.450 . 3.800 2.886 2.765 3.015 . 0 0 "[ . 1 . 2]" 1
352 1 65 THR HB 1 66 CYS H 4.200 . 4.620 4.043 3.785 4.231 . 0 0 "[ . 1 . 2]" 1
353 1 66 CYS H 1 66 CYS QB 3.150 . 3.470 2.793 2.605 2.911 . 0 0 "[ . 1 . 2]" 1
354 1 66 CYS QB 1 67 TYR H 3.890 . 4.670 3.525 3.172 3.573 . 0 0 "[ . 1 . 2]" 1
355 1 67 TYR QB 1 68 CYS H 3.030 . 3.330 2.723 1.797 3.120 0.003 14 0 "[ . 1 . 2]" 1
356 1 68 CYS H 1 68 CYS QB 3.330 . 3.660 2.591 2.089 2.880 . 0 0 "[ . 1 . 2]" 1
357 1 55 GLN QB 1 69 ASP H 4.000 . 4.400 3.687 2.915 4.446 0.046 11 0 "[ . 1 . 2]" 1
358 1 68 CYS QB 1 69 ASP H 3.270 . 3.600 2.114 1.778 2.581 0.022 16 0 "[ . 1 . 2]" 1
359 1 69 ASP H 1 69 ASP QB 3.130 . 3.440 2.862 2.153 3.151 . 0 0 "[ . 1 . 2]" 1
360 1 69 ASP H 1 74 PHE QB 4.050 . 4.460 4.631 4.534 4.768 0.308 19 0 "[ . 1 . 2]" 1
361 1 71 LYS H 1 71 LYS HB3 3.820 . 4.200 2.739 2.436 3.007 . 0 0 "[ . 1 . 2]" 1
362 1 71 LYS H 1 71 LYS HB2 3.820 . 4.200 3.524 2.939 3.744 . 0 0 "[ . 1 . 2]" 1
363 1 74 PHE H 1 74 PHE QB 3.540 . 3.890 3.137 2.969 3.306 . 0 0 "[ . 1 . 2]" 1
364 1 68 CYS QB 1 76 LEU H 4.660 . 5.130 3.773 2.706 5.157 0.027 5 0 "[ . 1 . 2]" 1
365 1 76 LEU H 1 76 LEU QB 2.900 . 3.190 2.185 2.061 2.380 . 0 0 "[ . 1 . 2]" 1
366 1 76 LEU QB 1 77 ALA H 3.970 . 4.350 3.828 3.524 3.950 . 0 0 "[ . 1 . 2]" 1
367 1 77 ALA H 1 77 ALA MB 3.270 . 3.600 2.110 2.032 2.177 . 0 0 "[ . 1 . 2]" 1
368 1 77 ALA MB 1 78 GLN H 3.820 . 4.200 1.993 1.924 2.109 . 0 0 "[ . 1 . 2]" 1
369 1 78 GLN H 1 78 GLN QB 3.460 . 3.810 2.247 2.044 2.601 . 0 0 "[ . 1 . 2]" 1
370 1 77 ALA MB 1 79 ASP H 3.790 . 4.170 2.495 2.244 2.879 . 0 0 "[ . 1 . 2]" 1
371 1 78 GLN QB 1 79 ASP H 4.140 . 4.550 3.368 2.510 4.016 . 0 0 "[ . 1 . 2]" 1
372 1 79 ASP H 1 79 ASP QB 4.740 2.800 5.110 2.773 2.754 2.881 0.046 20 0 "[ . 1 . 2]" 1
373 1 80 GLN H 1 80 GLN HB3 4.030 . 4.430 3.842 3.185 4.166 . 0 0 "[ . 1 . 2]" 1
374 1 80 GLN H 1 80 GLN HB2 4.030 . 4.430 3.432 2.103 4.186 . 0 0 "[ . 1 . 2]" 1
375 1 80 GLN H 1 81 LYS QB 5.370 . 5.910 5.171 4.638 5.527 . 0 0 "[ . 1 . 2]" 1
376 1 79 ASP QB 1 81 LYS H 4.280 . 4.710 2.484 2.200 2.947 . 0 0 "[ . 1 . 2]" 1
377 1 81 LYS H 1 82 SER QB 4.540 . 4.990 4.177 3.796 4.779 . 0 0 "[ . 1 . 2]" 1
378 1 54 ALA MB 1 83 CYS H 3.500 . 3.850 3.362 2.719 3.838 . 0 0 "[ . 1 . 2]" 1
379 1 82 SER QB 1 83 CYS H 3.300 . 3.630 2.372 1.943 3.055 . 0 0 "[ . 1 . 2]" 1
380 1 83 CYS H 1 83 CYS QB 3.540 . 3.890 2.930 2.697 3.296 . 0 0 "[ . 1 . 2]" 1
381 1 84 GLU QB 1 85 VAL H 3.600 . 3.970 3.033 2.383 3.771 . 0 0 "[ . 1 . 2]" 1
382 1 85 VAL H 1 85 VAL HB 3.010 . 3.310 3.015 2.804 3.547 0.237 11 0 "[ . 1 . 2]" 1
383 1 85 VAL HB 1 86 VAL H 4.210 . 4.630 3.869 2.396 4.251 . 0 0 "[ . 1 . 2]" 1
384 1 86 VAL H 1 86 VAL HB 3.250 . 3.580 3.474 2.857 3.680 0.100 2 0 "[ . 1 . 2]" 1
385 1 86 VAL HB 1 87 SER H 3.680 . 4.050 3.846 1.913 4.107 0.057 11 0 "[ . 1 . 2]" 1
386 1 87 SER H 1 87 SER QB 3.650 . 4.020 2.666 2.192 3.211 . 0 0 "[ . 1 . 2]" 1
387 1 3 VAL H 1 3 VAL QG 3.270 . 3.600 2.576 2.245 2.923 . 0 0 "[ . 1 . 2]" 1
388 1 3 VAL QG 1 5 GLU H 4.580 . 5.040 4.921 4.775 5.111 0.071 12 0 "[ . 1 . 2]" 1
389 1 5 GLU H 1 8 LEU QD 3.830 . 4.210 4.254 4.233 4.310 0.100 17 0 "[ . 1 . 2]" 1
390 1 8 LEU H 1 8 LEU QD 3.330 . 3.660 3.589 3.486 3.701 0.041 17 0 "[ . 1 . 2]" 1
391 1 8 LEU H 1 12 ILE MG 3.950 . 4.350 4.382 4.294 4.429 0.079 6 0 "[ . 1 . 2]" 1
392 1 8 LEU H 1 12 ILE QG 4.500 . 4.950 2.912 2.382 4.537 . 0 0 "[ . 1 . 2]" 1
393 1 8 LEU QD 1 9 LYS H 3.790 . 4.550 3.820 2.931 4.234 . 0 0 "[ . 1 . 2]" 1
394 1 8 LEU QB 1 9 LYS H 3.500 . 4.200 2.561 1.973 2.911 . 0 0 "[ . 1 . 2]" 1
395 1 9 LYS H 1 9 LYS QG 3.610 . 4.330 3.411 1.981 4.079 . 0 0 "[ . 1 . 2]" 1
396 1 9 LYS H 1 12 ILE MG 4.740 . 5.210 4.427 4.111 4.654 . 0 0 "[ . 1 . 2]" 1
397 1 12 ILE H 1 12 ILE QG 4.140 . 4.970 2.476 2.222 2.647 . 0 0 "[ . 1 . 2]" 1
398 1 12 ILE H 1 12 ILE MG 3.270 . 3.920 3.810 3.779 3.829 . 0 0 "[ . 1 . 2]" 1
399 1 12 ILE H 1 12 ILE MD 3.920 . 4.700 3.866 3.434 4.194 . 0 0 "[ . 1 . 2]" 1
400 1 12 ILE QG 1 13 CYS H 3.890 . 4.670 3.607 3.562 3.743 . 0 0 "[ . 1 . 2]" 1
401 1 12 ILE MG 1 13 CYS H 3.350 . 4.020 2.510 2.044 2.744 . 0 0 "[ . 1 . 2]" 1
402 1 12 ILE MG 1 14 GLY H 5.130 . 5.640 4.498 3.985 5.096 . 0 0 "[ . 1 . 2]" 1
403 1 14 GLY H 1 37 LEU QB 4.080 . 4.490 4.175 3.681 4.507 0.017 16 0 "[ . 1 . 2]" 1
404 1 15 THR H 1 15 THR MG 3.740 . 4.490 3.487 2.142 3.970 . 0 0 "[ . 1 . 2]" 1
405 1 15 THR MG 1 16 ALA H 3.940 . 4.730 4.258 4.192 4.390 . 0 0 "[ . 1 . 2]" 1
406 1 17 VAL H 1 17 VAL QG 3.090 . 3.710 2.819 1.977 3.132 . 0 0 "[ . 1 . 2]" 1
407 1 17 VAL QG 1 18 CYS H 3.380 . 4.060 3.702 3.562 3.751 . 0 0 "[ . 1 . 2]" 1
408 1 19 LYS QG 1 20 ASN H 4.250 . 5.080 4.087 3.540 4.561 . 0 0 "[ . 1 . 2]" 1
409 1 21 ILE H 1 21 ILE QG 3.440 . 4.130 2.123 2.005 2.286 . 0 0 "[ . 1 . 2]" 1
410 1 21 ILE H 1 21 ILE MG 3.010 . 3.610 3.104 2.906 3.297 . 0 0 "[ . 1 . 2]" 1
411 1 21 ILE H 1 21 ILE MD 3.350 . 4.020 3.799 3.598 3.987 . 0 0 "[ . 1 . 2]" 1
412 1 21 ILE QG 1 25 PHE H 3.760 . 4.510 3.612 3.409 4.022 . 0 0 "[ . 1 . 2]" 1
413 1 26 GLU QG 1 27 CYS H 3.650 . 4.020 3.939 3.639 4.046 0.026 16 0 "[ . 1 . 2]" 1
414 1 17 VAL QG 1 28 GLU H 4.840 . 5.320 3.634 3.208 4.119 . 0 0 "[ . 1 . 2]" 1
415 1 28 GLU QG 1 29 CYS H 4.610 . 5.070 4.451 4.073 4.682 . 0 0 "[ . 1 . 2]" 1
416 1 31 GLU H 1 31 GLU QG 3.320 . 3.650 2.911 2.183 3.883 0.233 13 0 "[ . 1 . 2]" 1
417 1 31 GLU QG 1 32 GLY H 3.800 . 4.180 3.781 2.182 4.497 0.317 9 0 "[ . 1 . 2]" 1
418 1 32 GLY H 1 45 ILE MD 4.160 . 4.580 4.488 3.963 4.665 0.085 12 0 "[ . 1 . 2]" 1
419 1 31 GLU QG 1 33 TYR H 3.830 . 4.210 4.212 1.965 4.462 0.252 12 0 "[ . 1 . 2]" 1
420 1 33 TYR H 1 45 ILE MG 3.890 . 4.670 4.109 3.939 4.343 . 0 0 "[ . 1 . 2]" 1
421 1 34 ARG H 1 34 ARG QG 4.430 . 4.870 3.161 2.519 3.579 . 0 0 "[ . 1 . 2]" 1
422 1 34 ARG H 1 45 ILE MG 3.520 . 3.870 4.019 3.934 4.083 0.213 2 0 "[ . 1 . 2]" 1
423 1 34 ARG H 1 45 ILE MD 4.460 . 4.910 3.941 3.723 4.243 . 0 0 "[ . 1 . 2]" 1
424 1 12 ILE MG 1 35 TYR H 5.060 . 5.570 4.695 4.220 5.320 . 0 0 "[ . 1 . 2]" 1
425 1 34 ARG QG 1 35 TYR H 4.230 . 4.650 3.591 3.249 4.439 . 0 0 "[ . 1 . 2]" 1
426 1 37 LEU H 1 37 LEU QD 4.150 . 4.570 3.691 3.486 3.746 . 0 0 "[ . 1 . 2]" 1
427 1 37 LEU QD 1 38 LYS H 4.630 . 5.090 3.860 3.408 4.265 . 0 0 "[ . 1 . 2]" 1
428 1 38 LYS H 1 38 LYS HG3 3.810 . 4.190 3.675 3.246 4.190 0.000 18 0 "[ . 1 . 2]" 1
429 1 38 LYS H 1 38 LYS HG2 3.810 . 4.190 4.011 2.384 4.215 0.025 14 0 "[ . 1 . 2]" 1
430 1 38 LYS H 1 38 LYS QD 3.300 . 3.630 2.229 1.888 2.813 . 0 0 "[ . 1 . 2]" 1
431 1 36 ASN HD21 1 39 SER H 4.100 . 4.510 3.729 3.154 4.509 . 0 0 "[ . 1 . 2]" 1
432 1 37 LEU QD 1 39 SER H 5.000 . 6.000 5.169 4.745 5.543 . 0 0 "[ . 1 . 2]" 1
433 1 38 LYS QG 1 39 SER H 3.870 . 4.260 4.352 4.074 4.398 0.138 16 0 "[ . 1 . 2]" 1
434 1 38 LYS QD 1 39 SER H 3.970 . 4.370 4.140 3.650 4.467 0.097 17 0 "[ . 1 . 2]" 1
435 1 36 ASN HD21 1 40 LYS H 4.890 . 5.380 5.164 3.482 5.384 0.004 13 0 "[ . 1 . 2]" 1
436 1 40 LYS H 1 40 LYS QG 3.120 . 3.430 3.096 2.481 3.599 0.169 10 0 "[ . 1 . 2]" 1
437 1 40 LYS H 1 40 LYS QD 3.360 . 3.700 2.755 2.004 3.771 0.071 19 0 "[ . 1 . 2]" 1
438 1 40 LYS QG 1 41 SER H 3.720 . 4.090 4.267 4.214 4.391 0.301 16 0 "[ . 1 . 2]" 1
439 1 40 LYS QD 1 41 SER H 3.670 . 4.040 4.193 4.164 4.319 0.279 16 0 "[ . 1 . 2]" 1
440 1 43 GLU H 1 43 GLU QG 3.600 . 3.960 3.523 3.053 4.007 0.047 9 0 "[ . 1 . 2]" 1
441 1 45 ILE H 1 45 ILE MG 3.740 . 4.110 1.973 1.900 2.146 . 0 0 "[ . 1 . 2]" 1
442 1 45 ILE MG 1 46 ASP H 4.100 . 4.510 3.268 3.170 3.343 . 0 0 "[ . 1 . 2]" 1
443 1 45 ILE MD 1 46 ASP H 3.960 . 4.360 3.477 3.378 3.519 . 0 0 "[ . 1 . 2]" 1
444 1 45 ILE QG 1 47 GLU H 4.240 . 4.660 2.976 2.816 3.096 . 0 0 "[ . 1 . 2]" 1
445 1 45 ILE MG 1 47 GLU H 3.670 . 4.040 2.289 2.148 2.466 . 0 0 "[ . 1 . 2]" 1
446 1 45 ILE MD 1 47 GLU H 4.130 . 4.540 4.447 4.234 4.524 . 0 0 "[ . 1 . 2]" 1
447 1 47 GLU H 1 47 GLU QG 3.600 . 3.960 2.353 1.980 2.910 . 0 0 "[ . 1 . 2]" 1
448 1 50 GLU H 1 50 GLU QG 3.090 . 3.400 2.790 2.630 3.078 . 0 0 "[ . 1 . 2]" 1
449 1 50 GLU QG 1 51 ASN H 3.980 . 4.380 4.260 2.923 4.453 0.073 12 0 "[ . 1 . 2]" 1
450 1 52 MET H 1 52 MET QG 3.240 . 3.560 2.420 1.899 2.758 . 0 0 "[ . 1 . 2]" 1
451 1 52 MET QG 1 53 CYS H 3.430 . 3.770 3.821 3.553 3.887 0.117 8 0 "[ . 1 . 2]" 1
452 1 56 LEU H 1 56 LEU HG 3.930 . 4.320 4.412 4.264 4.470 0.150 6 0 "[ . 1 . 2]" 1
453 1 56 LEU H 1 56 LEU QD 3.750 . 4.130 2.395 1.870 2.828 . 0 0 "[ . 1 . 2]" 1
454 1 56 LEU QD 1 57 CYS H 3.890 . 4.280 3.088 2.828 3.405 . 0 0 "[ . 1 . 2]" 1
455 1 58 VAL H 1 58 VAL QG 3.300 . 3.630 2.895 2.358 3.040 . 0 0 "[ . 1 . 2]" 1
456 1 58 VAL QG 1 59 ASN H 3.310 . 3.640 3.138 3.005 3.194 . 0 0 "[ . 1 . 2]" 1
457 1 58 VAL QG 1 60 TYR H 4.010 . 4.410 3.362 3.294 3.484 . 0 0 "[ . 1 . 2]" 1
458 1 58 VAL QG 1 65 THR H 3.940 . 4.330 4.030 3.843 4.280 . 0 0 "[ . 1 . 2]" 1
459 1 65 THR H 1 65 THR MG 3.840 . 4.220 3.882 3.788 4.018 . 0 0 "[ . 1 . 2]" 1
460 1 65 THR MG 1 66 CYS H 3.210 . 3.530 2.047 1.937 2.305 . 0 0 "[ . 1 . 2]" 1
461 1 66 CYS H 1 76 LEU QD 3.910 . 4.300 3.477 2.839 3.884 . 0 0 "[ . 1 . 2]" 1
462 1 56 LEU QD 1 68 CYS H 4.070 . 4.480 4.352 3.196 4.591 0.111 11 0 "[ . 1 . 2]" 1
463 1 56 LEU MD2 1 69 ASP H 4.070 . 4.480 4.323 3.783 4.576 0.096 8 0 "[ . 1 . 2]" 1
464 1 71 LYS H 1 71 LYS QG 4.190 . 4.610 2.369 1.869 4.042 . 0 0 "[ . 1 . 2]" 1
465 1 71 LYS H 1 71 LYS QD 4.590 . 5.050 3.779 2.463 4.758 . 0 0 "[ . 1 . 2]" 1
466 1 76 LEU H 1 76 LEU HG 3.830 . 4.210 4.079 3.400 4.316 0.106 5 0 "[ . 1 . 2]" 1
467 1 76 LEU H 1 76 LEU QD 3.550 . 3.910 3.749 3.645 3.849 . 0 0 "[ . 1 . 2]" 1
468 1 76 LEU HG 1 77 ALA H 3.810 . 4.190 3.950 3.489 4.217 0.027 20 0 "[ . 1 . 2]" 1
469 1 76 LEU QD 1 77 ALA H 3.530 . 3.880 2.391 2.007 2.679 . 0 0 "[ . 1 . 2]" 1
470 1 76 LEU QD 1 80 GLN H 4.030 . 4.430 2.373 1.889 3.711 . 0 0 "[ . 1 . 2]" 1
471 1 80 GLN H 1 80 GLN QG 4.120 . 4.540 3.505 2.628 4.347 . 0 0 "[ . 1 . 2]" 1
472 1 80 GLN H 1 81 LYS QG 4.280 . 4.710 4.240 3.561 4.724 0.014 14 0 "[ . 1 . 2]" 1
473 1 81 LYS H 1 81 LYS QG 3.490 . 3.840 2.137 1.864 2.890 . 0 0 "[ . 1 . 2]" 1
474 1 81 LYS H 1 81 LYS QD 3.700 . 4.070 3.644 2.832 4.072 0.002 16 0 "[ . 1 . 2]" 1
475 1 84 GLU QG 1 85 VAL H 3.960 . 4.360 3.264 2.055 4.187 . 0 0 "[ . 1 . 2]" 1
476 1 85 VAL H 1 85 VAL QG 3.280 . 3.610 1.961 1.899 2.073 . 0 0 "[ . 1 . 2]" 1
477 1 86 VAL H 1 86 VAL QG 3.220 . 3.540 2.041 1.839 2.479 . 0 0 "[ . 1 . 2]" 1
478 1 85 VAL QG 1 87 SER H 3.660 . 4.030 3.537 2.814 4.094 0.064 7 0 "[ . 1 . 2]" 1
479 1 86 VAL QG 1 87 SER H 3.490 . 3.840 3.186 1.895 3.721 . 0 0 "[ . 1 . 2]" 1
480 1 36 ASN QD 1 38 LYS QB 4.610 . 5.070 2.585 2.025 4.321 . 0 0 "[ . 1 . 2]" 1
481 1 47 GLU HA 1 59 ASN HD21 4.030 . 4.430 4.471 4.054 4.519 0.089 10 0 "[ . 1 . 2]" 1
482 1 4 ASP HA 1 8 LEU HA 3.880 . 4.270 4.273 4.003 4.308 0.038 6 0 "[ . 1 . 2]" 1
483 1 6 CYS HA 1 12 ILE MD 4.700 . 5.170 3.439 2.978 3.965 . 0 0 "[ . 1 . 2]" 1
484 1 7 SER HA 1 12 ILE MD 6.000 5.000 11.000 5.283 4.934 5.996 0.066 4 0 "[ . 1 . 2]" 1
485 1 12 ILE HA 1 12 ILE MD 3.700 . 4.070 2.677 2.021 3.739 . 0 0 "[ . 1 . 2]" 1
486 1 18 CYS HA 1 27 CYS HA 2.780 . 3.060 1.963 1.767 2.646 0.033 8 0 "[ . 1 . 2]" 1
487 1 20 ASN HA 1 25 PHE HA 2.950 . 3.250 1.811 1.735 1.915 0.065 4 0 "[ . 1 . 2]" 1
488 1 32 GLY QA 1 62 GLY QA 5.000 . 5.500 5.180 4.538 5.532 0.032 15 0 "[ . 1 . 2]" 1
489 1 33 TYR HA 1 44 ASP HA 3.050 . 3.360 2.708 2.546 2.906 . 0 0 "[ . 1 . 2]" 1
490 1 33 TYR HA 1 45 ILE HA 4.480 . 4.930 3.650 3.381 3.866 . 0 0 "[ . 1 . 2]" 1
491 1 34 ARG HA 1 45 ILE HA 3.980 . 4.380 4.408 4.333 4.456 0.076 15 0 "[ . 1 . 2]" 1
492 1 35 TYR HA 1 42 CYS HA 3.030 . 3.330 2.382 2.104 2.645 . 0 0 "[ . 1 . 2]" 1
493 1 52 MET HA 1 53 CYS HA 3.760 . 4.140 4.411 4.320 4.461 0.321 5 0 "[ . 1 . 2]" 1
494 1 53 CYS HA 1 54 ALA HA 3.650 . 4.020 4.234 4.196 4.275 0.255 20 0 "[ . 1 . 2]" 1
495 1 53 CYS HA 1 57 CYS HA 4.580 . 5.040 5.100 5.054 5.165 0.125 11 0 "[ . 1 . 2]" 1
496 1 53 CYS HA 1 66 CYS HA 4.100 . 4.510 4.444 4.162 4.569 0.059 20 0 "[ . 1 . 2]" 1
497 1 53 CYS HA 1 81 LYS HA 3.850 . 4.240 4.276 4.239 4.299 0.059 16 0 "[ . 1 . 2]" 1
498 1 55 GLN HA 1 68 CYS HA 3.860 . 4.250 4.390 4.291 4.493 0.243 16 0 "[ . 1 . 2]" 1
499 1 56 LEU HA 1 57 CYS HA 4.220 . 4.640 4.355 4.310 4.624 . 0 0 "[ . 1 . 2]" 1
500 1 57 CYS HA 1 58 VAL HA 4.140 . 4.550 4.453 4.413 4.531 . 0 0 "[ . 1 . 2]" 1
501 1 57 CYS HA 1 65 THR HA 4.910 . 5.400 5.451 5.338 5.539 0.139 16 0 "[ . 1 . 2]" 1
502 1 57 CYS HA 1 66 CYS HA 2.940 . 3.230 2.215 2.068 2.389 . 0 0 "[ . 1 . 2]" 1
503 1 58 VAL HA 1 66 CYS HA 5.480 . 6.030 5.985 5.872 6.072 0.042 14 0 "[ . 1 . 2]" 1
504 1 59 ASN HA 1 64 TYR HA 3.280 . 3.610 1.632 1.612 1.661 0.188 20 0 "[ . 1 . 2]" 1
505 1 60 TYR HA 1 61 PRO HA 3.690 . 4.060 4.271 4.264 4.279 0.219 12 0 "[ . 1 . 2]" 1
506 1 65 THR HA 1 66 CYS HA 4.580 . 5.040 4.378 4.350 4.396 . 0 0 "[ . 1 . 2]" 1
507 1 65 THR HA 1 81 LYS HA 4.160 . 4.580 4.644 4.597 4.686 0.106 3 0 "[ . 1 . 2]" 1
508 1 58 VAL HA 1 66 CYS HA 5.480 . 6.030 5.691 5.608 5.778 . 0 0 "[ . 1 . 2]" 1
509 1 66 CYS HA 1 67 TYR HA 4.330 . 4.760 4.378 4.330 4.406 . 0 0 "[ . 1 . 2]" 1
510 1 66 CYS HA 1 81 LYS HA 4.410 . 4.850 4.716 4.487 4.910 0.060 3 0 "[ . 1 . 2]" 1
511 1 74 PHE HA 1 85 VAL HA 3.030 . 3.330 3.467 3.399 3.496 0.166 13 0 "[ . 1 . 2]" 1
512 1 76 LEU HA 1 83 CYS HA 4.330 . 4.760 2.416 1.783 2.703 0.017 11 0 "[ . 1 . 2]" 1
513 1 84 GLU HA 1 85 VAL HA 4.020 . 4.420 4.374 4.315 4.397 . 0 0 "[ . 1 . 2]" 1
514 1 69 ASP HA 1 85 VAL HA 5.210 . 5.730 5.571 5.351 5.777 0.047 3 0 "[ . 1 . 2]" 1
515 1 6 CYS HA 1 12 ILE MG 3.540 . 3.890 2.267 1.781 3.007 0.019 17 0 "[ . 1 . 2]" 1
516 1 8 LEU HA 1 8 LEU QD 2.680 . 2.950 2.734 1.985 2.976 0.026 11 0 "[ . 1 . 2]" 1
517 1 9 LYS QE 1 12 ILE HA 3.860 . 4.250 4.157 3.822 4.265 0.015 9 0 "[ . 1 . 2]" 1
518 1 12 ILE HA 1 12 ILE MG 3.310 . 3.640 2.370 2.314 2.455 . 0 0 "[ . 1 . 2]" 1
519 1 12 ILE HB 1 13 CYS HA 3.850 . 4.240 4.412 4.384 4.464 0.224 15 0 "[ . 1 . 2]" 1
520 1 13 CYS HA 1 16 ALA MB 3.950 . 4.350 4.399 4.320 4.444 0.094 11 0 "[ . 1 . 2]" 1
521 1 12 ILE MG 1 13 CYS HA 3.330 . 3.660 3.409 3.356 3.483 . 0 0 "[ . 1 . 2]" 1
522 1 8 LEU QD 1 23 GLY QA . . 3.160 3.201 3.178 3.228 0.068 13 0 "[ . 1 . 2]" 1
523 1 17 VAL HA 1 17 VAL MG1 2.510 . 2.760 2.264 2.195 2.414 . 0 0 "[ . 1 . 2]" 1
524 1 17 VAL HA 1 17 VAL MG2 2.680 . 2.950 2.431 2.233 2.592 . 0 0 "[ . 1 . 2]" 1
525 1 20 ASN HA 1 21 ILE MG 3.440 . 3.780 3.506 3.277 3.781 0.001 1 0 "[ . 1 . 2]" 1
526 1 20 ASN HA 1 21 ILE QG 3.440 . 3.780 3.133 2.999 3.273 . 0 0 "[ . 1 . 2]" 1
527 1 21 ILE HA 1 21 ILE MG 2.790 . 3.070 2.237 2.157 2.304 . 0 0 "[ . 1 . 2]" 1
528 1 21 ILE HA 1 21 ILE MD 4.090 . 4.500 4.150 4.145 4.153 . 0 0 "[ . 1 . 2]" 1
529 1 21 ILE HA 1 22 PRO QD 2.710 . 2.980 2.308 2.257 2.388 . 0 0 "[ . 1 . 2]" 1
530 1 21 ILE MD 1 24 ASP HA 3.690 . 4.060 4.077 4.040 4.095 0.035 3 0 "[ . 1 . 2]" 1
531 1 21 ILE MD 1 25 PHE HA 3.710 . 4.080 4.096 4.012 4.116 0.036 17 0 "[ . 1 . 2]" 1
532 1 21 ILE QG 1 25 PHE HA 4.340 . 4.770 3.372 2.985 3.770 . 0 0 "[ . 1 . 2]" 1
533 1 21 ILE MG 1 25 PHE HA 3.640 . 4.000 4.021 4.014 4.034 0.034 12 0 "[ . 1 . 2]" 1
534 1 13 CYS QB 1 27 CYS HA 4.010 . 4.410 4.275 3.536 4.532 0.122 5 0 "[ . 1 . 2]" 1
535 1 17 VAL QG 1 27 CYS HA 4.330 . 4.760 4.297 3.775 4.806 0.046 2 0 "[ . 1 . 2]" 1
536 1 16 ALA MB 1 29 CYS HA 4.840 . 5.800 5.892 5.837 5.931 0.131 17 0 "[ . 1 . 2]" 1
537 1 29 CYS HA 1 30 PRO QG 3.600 . 3.960 3.900 3.694 3.994 0.034 1 0 "[ . 1 . 2]" 1
538 1 29 CYS HA 1 30 PRO HD3 2.960 . 3.260 2.371 2.004 2.791 . 0 0 "[ . 1 . 2]" 1
539 1 29 CYS HA 1 30 PRO HD2 2.960 . 3.260 2.420 1.831 3.071 . 0 0 "[ . 1 . 2]" 1
540 1 32 GLY HA3 1 45 ILE MD 3.520 . 3.870 2.771 1.952 3.295 . 0 0 "[ . 1 . 2]" 1
541 1 32 GLY HA2 1 45 ILE MD 3.520 . 3.870 3.343 2.424 3.890 0.020 3 0 "[ . 1 . 2]" 1
542 1 32 GLY QA 1 45 ILE HB 3.660 . 4.030 3.699 3.343 3.933 . 0 0 "[ . 1 . 2]" 1
543 1 32 GLY QA 1 45 ILE MG 4.690 . 5.160 3.088 2.847 3.413 . 0 0 "[ . 1 . 2]" 1
544 1 33 TYR HA 1 45 ILE HB 2.950 . 3.250 2.334 2.141 2.485 . 0 0 "[ . 1 . 2]" 1
545 1 33 TYR HA 1 45 ILE MG 4.080 . 4.490 3.039 2.872 3.223 . 0 0 "[ . 1 . 2]" 1
546 1 33 TYR HA 1 45 ILE MD 3.330 . 3.660 3.880 3.825 3.924 0.264 14 0 "[ . 1 . 2]" 1
547 1 34 ARG HA 1 45 ILE MD 3.840 . 4.220 3.738 3.297 4.259 0.039 17 0 "[ . 1 . 2]" 1
548 1 37 LEU HA 1 37 LEU QD 3.240 . 3.560 2.831 1.802 3.148 . 0 0 "[ . 1 . 2]" 1
549 1 37 LEU QD 1 38 LYS HA 3.870 . 4.260 3.598 2.947 4.269 0.009 15 0 "[ . 1 . 2]" 1
550 1 38 LYS HA 1 38 LYS QD 2.910 . 3.200 2.903 1.874 3.219 0.019 13 0 "[ . 1 . 2]" 1
551 1 38 LYS HA 1 38 LYS QG 2.680 . 2.950 2.273 2.117 3.046 0.096 17 0 "[ . 1 . 2]" 1
552 1 34 ARG QD 1 45 ILE HA 4.240 . 4.660 2.593 1.875 3.878 . 0 0 "[ . 1 . 2]" 1
553 1 34 ARG QG 1 45 ILE HA 3.160 . 3.480 2.787 1.826 3.465 . 0 0 "[ . 1 . 2]" 1
554 1 34 ARG QB 1 45 ILE HA 3.260 . 3.590 2.169 1.911 2.737 . 0 0 "[ . 1 . 2]" 1
555 1 44 ASP QB 1 45 ILE HA 3.490 . 3.840 3.839 3.776 3.903 0.063 18 0 "[ . 1 . 2]" 1
556 1 45 ILE HA 1 45 ILE MG 3.100 . 3.410 3.179 3.168 3.188 . 0 0 "[ . 1 . 2]" 1
557 1 45 ILE MG 1 46 ASP HA 3.600 . 3.960 3.928 3.865 3.996 0.036 17 0 "[ . 1 . 2]" 1
558 1 45 ILE MD 1 47 GLU HA 3.770 . 4.150 4.134 3.689 4.219 0.069 19 0 "[ . 1 . 2]" 1
559 1 45 ILE QG 1 47 GLU HA 3.190 . 3.500 3.302 3.134 3.431 . 0 0 "[ . 1 . 2]" 1
560 1 45 ILE MG 1 47 GLU HA 3.230 . 3.550 3.613 3.565 3.660 0.110 2 0 "[ . 1 . 2]" 1
561 1 47 GLU HA 1 50 GLU QB 3.350 . 3.690 3.541 2.977 3.759 0.069 5 0 "[ . 1 . 2]" 1
562 1 47 GLU HA 1 50 GLU QG 3.270 . 3.600 3.616 3.603 3.634 0.034 18 0 "[ . 1 . 2]" 1
563 1 47 GLU HA 1 52 MET QG 3.310 . 3.640 3.667 3.413 3.720 0.080 2 0 "[ . 1 . 2]" 1
564 1 47 GLU HA 1 52 MET ME 3.130 . 3.440 3.068 2.240 3.466 0.026 10 0 "[ . 1 . 2]" 1
565 1 53 CYS HA 1 54 ALA MB 4.500 . 4.950 3.891 3.775 4.077 . 0 0 "[ . 1 . 2]" 1
566 1 53 CYS HA 1 81 LYS QB 4.200 . 4.620 4.119 2.964 4.641 0.021 1 0 "[ . 1 . 2]" 1
567 1 56 LEU HA 1 56 LEU MD1 2.840 . 3.120 1.944 1.860 2.308 . 0 0 "[ . 1 . 2]" 1
568 1 48 CYS HB3 1 57 CYS HA 4.370 . 4.810 4.622 4.286 4.927 0.117 2 0 "[ . 1 . 2]" 1
569 1 48 CYS HB2 1 57 CYS HA 4.370 . 4.810 3.836 3.291 4.099 . 0 0 "[ . 1 . 2]" 1
570 1 53 CYS HB3 1 57 CYS HA 4.100 . 4.510 2.765 2.497 3.202 . 0 0 "[ . 1 . 2]" 1
571 1 53 CYS HB2 1 57 CYS HA 4.100 . 4.510 3.300 2.969 3.586 . 0 0 "[ . 1 . 2]" 1
572 1 56 LEU QD 1 57 CYS HA 4.200 . 4.620 4.872 4.629 4.937 0.317 2 0 "[ . 1 . 2]" 1
573 1 57 CYS HA 1 58 VAL QG 4.100 . 4.510 4.421 4.083 4.512 0.002 2 0 "[ . 1 . 2]" 1
574 1 57 CYS HA 1 66 CYS QB 4.150 . 4.570 3.735 3.548 4.014 . 0 0 "[ . 1 . 2]" 1
575 1 57 CYS HA 1 65 THR MG 4.350 . 4.790 4.589 4.362 4.847 0.057 14 0 "[ . 1 . 2]" 1
576 1 58 VAL QG 1 59 ASN HA 3.730 . 4.100 3.689 3.533 3.839 . 0 0 "[ . 1 . 2]" 1
577 1 59 ASN HA 1 64 TYR QB 4.220 . 4.640 2.204 1.936 2.371 . 0 0 "[ . 1 . 2]" 1
578 1 58 VAL QG 1 60 TYR HA 3.180 . 3.500 3.681 3.635 3.706 0.206 5 0 "[ . 1 . 2]" 1
579 1 60 TYR HA 1 61 PRO QD 3.610 . 3.970 2.283 2.207 2.317 . 0 0 "[ . 1 . 2]" 1
580 1 44 ASP HB3 1 61 PRO HA 3.590 . 3.950 3.209 1.965 3.827 . 0 0 "[ . 1 . 2]" 1
581 1 44 ASP HB2 1 61 PRO HA 3.190 . 3.510 2.425 1.939 2.991 . 0 0 "[ . 1 . 2]" 1
582 1 65 THR HA 1 65 THR MG 2.670 . 2.940 2.547 2.263 2.656 . 0 0 "[ . 1 . 2]" 1
583 1 53 CYS HB3 1 66 CYS HA 4.040 . 4.440 2.718 2.370 2.999 . 0 0 "[ . 1 . 2]" 1
584 1 53 CYS HB2 1 66 CYS HA 4.040 . 4.440 4.073 3.623 4.336 . 0 0 "[ . 1 . 2]" 1
585 1 57 CYS QB 1 66 CYS HA 3.800 . 4.180 3.655 3.432 3.926 . 0 0 "[ . 1 . 2]" 1
586 1 58 VAL QG 1 66 CYS HA 4.890 . 5.380 5.087 4.840 5.261 . 0 0 "[ . 1 . 2]" 1
587 1 65 THR MG 1 66 CYS HA 4.470 . 4.920 3.561 3.468 3.897 . 0 0 "[ . 1 . 2]" 1
588 1 66 CYS HA 1 76 LEU QD 4.150 . 4.570 4.384 3.855 4.627 0.057 13 0 "[ . 1 . 2]" 1
589 1 56 LEU QB 1 67 TYR HA 3.880 . 4.270 4.318 3.992 4.400 0.130 16 0 "[ . 1 . 2]" 1
590 1 65 THR MG 1 67 TYR HA 3.770 . 4.150 4.067 3.868 4.278 0.128 18 0 "[ . 1 . 2]" 1
591 1 67 TYR HA 1 76 LEU QD 2.940 . 3.230 2.164 1.882 3.092 . 0 0 "[ . 1 . 2]" 1
592 1 55 GLN QB 1 68 CYS HA 3.430 . 3.770 1.842 1.745 1.956 0.055 12 0 "[ . 1 . 2]" 1
593 1 56 LEU MD2 1 68 CYS HA 3.430 . 3.770 2.794 2.526 3.396 . 0 0 "[ . 1 . 2]" 1
594 1 68 CYS HA 1 74 PHE QB 3.110 . 3.420 3.620 3.524 3.762 0.342 19 0 "[ . 1 . 2]" 1
595 1 56 LEU QD 1 68 CYS HA 4.120 . 4.530 2.783 2.516 3.368 . 0 0 "[ . 1 . 2]" 1
596 1 56 LEU QD 1 69 ASP HA 4.770 . 5.250 5.011 4.444 5.332 0.082 2 0 "[ . 1 . 2]" 1
597 1 74 PHE HA 1 85 VAL HB 3.860 . 4.250 4.242 4.164 4.274 0.024 1 0 "[ . 1 . 2]" 1
598 1 74 PHE HA 1 85 VAL QG 3.830 . 4.210 3.022 2.683 4.103 . 0 0 "[ . 1 . 2]" 1
599 1 74 PHE HA 1 86 VAL QG 3.710 . 4.080 3.791 3.140 4.089 0.009 8 0 "[ . 1 . 2]" 1
600 1 75 LYS HA 1 86 VAL QG 4.380 . 4.820 4.653 3.975 4.843 0.023 12 0 "[ . 1 . 2]" 1
601 1 76 LEU HA 1 76 LEU MD1 4.120 . 4.530 2.457 1.960 3.761 . 0 0 "[ . 1 . 2]" 1
602 1 76 LEU HA 1 76 LEU MD2 4.120 . 4.530 3.722 2.431 4.101 . 0 0 "[ . 1 . 2]" 1
603 1 77 ALA MB 1 78 GLN HA 3.650 . 4.020 4.084 4.046 4.147 0.127 20 0 "[ . 1 . 2]" 1
604 1 76 LEU MD1 1 80 GLN HA 3.290 . 3.620 2.343 1.943 3.194 . 0 0 "[ . 1 . 2]" 1
605 1 76 LEU MD2 1 80 GLN HA 3.290 . 3.620 2.168 1.919 2.379 . 0 0 "[ . 1 . 2]" 1
606 1 76 LEU QD 1 81 LYS HA 3.440 . 3.780 3.729 2.917 3.828 0.048 20 0 "[ . 1 . 2]" 1
607 1 54 ALA MB 1 82 SER HA 2.610 . 2.870 2.910 2.834 2.972 0.102 18 0 "[ . 1 . 2]" 1
608 1 54 ALA MB 1 83 CYS HA 4.700 . 5.170 4.451 3.916 4.725 . 0 0 "[ . 1 . 2]" 1
609 1 76 LEU QB 1 83 CYS HA 4.270 . 4.700 4.074 3.003 4.453 . 0 0 "[ . 1 . 2]" 1
610 1 76 LEU QD 1 83 CYS HA 4.000 . 4.400 2.771 2.567 3.470 . 0 0 "[ . 1 . 2]" 1
611 1 77 ALA MB 1 83 CYS HA 3.990 . 4.390 3.183 2.478 3.673 . 0 0 "[ . 1 . 2]" 1
612 1 84 GLU HA 1 85 VAL QG 3.490 . 3.840 3.602 3.310 3.850 0.010 3 0 "[ . 1 . 2]" 1
613 1 85 VAL QG 1 86 VAL HA 3.240 . 3.560 3.473 3.147 3.582 0.022 15 0 "[ . 1 . 2]" 1
614 1 86 VAL QG 1 87 SER HA 3.490 . 3.840 3.775 3.188 3.919 0.079 17 0 "[ . 1 . 2]" 1
615 1 12 ILE MG 1 13 CYS QB 3.590 . 3.950 2.161 1.929 2.492 . 0 0 "[ . 1 . 2]" 1
616 1 12 ILE MD 1 13 CYS QB 4.130 . 4.540 4.686 4.629 4.760 0.220 9 0 "[ . 1 . 2]" 1
617 1 12 ILE MG 1 18 CYS HB3 3.770 . 4.150 3.549 2.371 4.182 0.032 2 0 "[ . 1 . 2]" 1
618 1 12 ILE MG 1 18 CYS HB2 3.770 . 4.150 3.410 2.480 4.183 0.033 4 0 "[ . 1 . 2]" 1
619 1 21 ILE MG 1 22 PRO QD 3.630 . 3.990 2.911 2.708 3.047 . 0 0 "[ . 1 . 2]" 1
620 1 21 ILE QG 1 24 ASP HB3 3.350 . 3.690 2.376 2.304 2.508 . 0 0 "[ . 1 . 2]" 1
621 1 21 ILE QG 1 24 ASP HB2 3.350 . 3.690 2.205 2.150 2.338 . 0 0 "[ . 1 . 2]" 1
622 1 34 ARG QD 1 45 ILE MG 4.390 . 4.830 4.393 4.040 4.841 0.011 13 0 "[ . 1 . 2]" 1
623 1 34 ARG QD 1 45 ILE MD 3.380 . 3.770 3.089 2.155 3.802 0.032 15 0 "[ . 1 . 2]" 1
624 1 53 CYS QB 1 57 CYS QB 3.460 . 3.810 1.720 1.673 1.862 0.127 11 0 "[ . 1 . 2]" 1
625 1 58 VAL HB 1 65 THR HB 3.440 . 3.780 2.979 2.251 3.443 . 0 0 "[ . 1 . 2]" 1
626 1 58 VAL QG 1 65 THR HB 2.850 . 3.140 2.624 2.315 3.287 0.147 14 0 "[ . 1 . 2]" 1
627 1 66 CYS QB 1 76 LEU MD1 3.960 . 4.360 3.421 2.446 3.746 . 0 0 "[ . 1 . 2]" 1
628 1 66 CYS QB 1 76 LEU MD2 3.960 . 4.360 3.881 3.552 4.364 0.004 1 0 "[ . 1 . 2]" 1
629 1 66 CYS QB 1 76 LEU MD1 3.200 . 3.520 3.192 1.931 3.549 0.029 20 0 "[ . 1 . 2]" 1
630 1 66 CYS QB 1 76 LEU MD2 3.200 . 3.520 2.885 1.945 3.545 0.025 3 0 "[ . 1 . 2]" 1
631 1 56 LEU MD2 1 68 CYS QB 3.780 . 4.160 4.085 3.693 4.248 0.088 20 0 "[ . 1 . 2]" 1
632 1 76 LEU MD2 1 80 GLN QB 3.370 . 3.710 3.593 2.968 3.766 0.056 14 0 "[ . 1 . 2]" 1
633 1 77 ALA MB 1 82 SER QB 2.900 . 3.190 2.988 1.948 3.284 0.094 18 0 "[ . 1 . 2]" 1
634 1 12 ILE MD 1 25 PHE QD 5.270 . 6.320 3.020 1.763 3.674 0.037 11 0 "[ . 1 . 2]" 1
635 1 12 ILE MG 1 25 PHE QD 5.520 . 6.620 1.880 1.725 2.209 0.075 7 0 "[ . 1 . 2]" 1
636 1 12 ILE HB 1 25 PHE QD 3.350 . 4.020 4.135 4.059 4.217 0.197 20 0 "[ . 1 . 2]" 1
637 1 12 ILE HG13 1 25 PHE QE 5.000 . 6.000 5.667 3.639 6.040 0.040 6 0 "[ . 1 . 2]" 1
638 1 12 ILE HG12 1 25 PHE QE 5.000 . 6.000 5.340 2.061 6.013 0.013 5 0 "[ . 1 . 2]" 1
639 1 12 ILE MG 1 25 PHE QE 5.000 . 6.000 2.463 1.899 3.300 . 0 0 "[ . 1 . 2]" 1
640 1 12 ILE MD 1 25 PHE QE 5.000 . 6.000 3.859 2.420 4.389 . 0 0 "[ . 1 . 2]" 1
641 1 12 ILE HB 1 25 PHE QE 5.000 . 6.000 4.579 4.206 5.042 . 0 0 "[ . 1 . 2]" 1
642 1 12 ILE HA 1 25 PHE QE 5.000 . 6.000 3.438 1.993 4.474 . 0 0 "[ . 1 . 2]" 1
643 1 25 PHE QE 1 33 TYR HA 5.000 . 6.000 6.085 6.046 6.146 0.146 12 0 "[ . 1 . 2]" 1
644 1 18 CYS HA 1 25 PHE QD 4.200 . 5.040 4.862 4.357 5.091 0.051 17 0 "[ . 1 . 2]" 1
645 1 24 ASP HA 1 25 PHE QD 3.690 . 4.430 4.138 3.231 4.473 0.043 6 0 "[ . 1 . 2]" 1
646 1 25 PHE HA 1 25 PHE QD 3.860 . 4.630 3.620 3.565 3.653 . 0 0 "[ . 1 . 2]" 1
647 1 25 PHE QD 1 26 GLU QG 3.640 . 4.370 4.381 4.234 4.417 0.047 12 0 "[ . 1 . 2]" 1
648 1 30 PRO HA 1 33 TYR QR 3.980 . 4.780 4.623 4.359 4.844 0.064 10 0 "[ . 1 . 2]" 1
649 1 30 PRO QB 1 33 TYR QR 3.660 . 4.390 2.952 2.475 3.767 . 0 0 "[ . 1 . 2]" 1
650 1 30 PRO QG 1 33 TYR QR 3.670 . 4.400 3.459 2.833 4.423 0.023 13 0 "[ . 1 . 2]" 1
651 1 31 GLU QB 1 33 TYR QR 3.130 . 3.760 2.394 1.794 3.648 . 0 0 "[ . 1 . 2]" 1
652 1 31 GLU QG 1 33 TYR QR 3.060 . 3.670 2.873 1.812 3.718 0.048 9 0 "[ . 1 . 2]" 1
653 1 32 GLY QA 1 33 TYR QR 3.590 . 4.310 4.151 3.893 4.378 0.068 2 0 "[ . 1 . 2]" 1
654 1 33 TYR HA 1 33 TYR QR 3.180 . 3.820 2.787 2.108 3.106 . 0 0 "[ . 1 . 2]" 1
655 1 33 TYR QR 1 42 CYS QB 3.620 . 4.340 3.605 2.319 4.360 0.020 14 0 "[ . 1 . 2]" 1
656 1 33 TYR QR 1 43 GLU HA 3.340 . 4.010 3.334 2.831 4.021 0.011 10 0 "[ . 1 . 2]" 1
657 1 33 TYR QR 1 44 ASP HA 3.100 . 3.720 2.483 2.083 2.720 . 0 0 "[ . 1 . 2]" 1
658 1 33 TYR QR 1 45 ILE HA 5.180 . 5.700 5.335 4.819 5.548 . 0 0 "[ . 1 . 2]" 1
659 1 33 TYR QR 1 61 PRO QB 3.330 . 4.000 3.294 2.630 3.745 . 0 0 "[ . 1 . 2]" 1
660 1 33 TYR QR 1 62 GLY HA3 3.140 . 3.450 2.382 2.020 2.740 . 0 0 "[ . 1 . 2]" 1
661 1 33 TYR QR 1 62 GLY HA2 3.140 . 3.450 2.113 1.827 2.573 . 0 0 "[ . 1 . 2]" 1
662 1 16 ALA MB 1 35 TYR QD 3.480 . 3.820 2.815 2.305 3.155 . 0 0 "[ . 1 . 2]" 1
663 1 35 TYR HA 1 35 TYR QD 2.790 . 3.070 2.865 2.582 3.047 . 0 0 "[ . 1 . 2]" 1
664 1 35 TYR QB 1 35 TYR QD 2.660 . 2.930 2.116 2.107 2.122 . 0 0 "[ . 1 . 2]" 1
665 1 35 TYR QD 1 42 CYS HA 3.700 . 4.070 2.279 2.089 2.687 . 0 0 "[ . 1 . 2]" 1
666 1 16 ALA MB 1 35 TYR QE 3.440 . 3.780 3.139 2.717 3.524 . 0 0 "[ . 1 . 2]" 1
667 1 35 TYR QE 1 36 ASN QB 4.500 . 4.950 4.997 4.955 5.062 0.112 13 0 "[ . 1 . 2]" 1
668 1 35 TYR QE 1 37 LEU HA 3.060 . 3.370 2.619 2.261 3.089 . 0 0 "[ . 1 . 2]" 1
669 1 35 TYR QE 1 37 LEU QD 3.800 . 4.180 3.732 3.024 4.212 0.032 6 0 "[ . 1 . 2]" 1
670 1 35 TYR QE 1 40 LYS HA 3.180 . 3.500 2.387 1.979 2.782 . 0 0 "[ . 1 . 2]" 1
671 1 35 TYR QE 1 40 LYS QB 3.960 . 4.360 3.622 3.214 4.070 . 0 0 "[ . 1 . 2]" 1
672 1 35 TYR QE 1 41 SER HA 3.920 . 4.310 2.813 2.185 3.141 . 0 0 "[ . 1 . 2]" 1
673 1 35 TYR QE 1 42 CYS HA 3.510 . 3.860 3.894 3.670 3.937 0.077 14 0 "[ . 1 . 2]" 1
674 1 60 TYR HA 1 60 TYR QD 3.870 . 4.260 3.745 3.632 3.770 . 0 0 "[ . 1 . 2]" 1
675 1 60 TYR QD 1 61 PRO QD 3.950 . 4.350 3.477 3.294 3.629 . 0 0 "[ . 1 . 2]" 1
676 1 60 TYR QD 1 61 PRO QG 3.490 . 3.840 3.643 3.355 3.859 0.019 11 0 "[ . 1 . 2]" 1
677 1 60 TYR QD 1 63 GLY HA3 3.550 . 3.910 3.856 3.798 3.922 0.012 14 0 "[ . 1 . 2]" 1
678 1 60 TYR QD 1 63 GLY HA2 4.370 . 4.810 4.875 4.856 4.912 0.102 11 0 "[ . 1 . 2]" 1
679 1 60 TYR QD 1 65 THR HB 3.780 . 4.150 3.241 3.009 3.829 . 0 0 "[ . 1 . 2]" 1
680 1 60 TYR QE 1 61 PRO QD 5.750 . 6.330 5.459 5.300 5.579 . 0 0 "[ . 1 . 2]" 1
681 1 60 TYR QE 1 63 GLY HA3 3.540 . 3.890 2.582 2.479 2.878 . 0 0 "[ . 1 . 2]" 1
682 1 60 TYR QE 1 63 GLY HA2 4.050 . 4.460 4.183 4.035 4.475 0.015 11 0 "[ . 1 . 2]" 1
683 1 60 TYR QE 1 65 THR HB 3.780 . 4.150 3.360 2.534 4.077 . 0 0 "[ . 1 . 2]" 1
684 1 60 TYR QE 1 65 THR MG 3.130 . 3.440 3.494 3.455 3.548 0.108 1 0 "[ . 1 . 2]" 1
685 1 63 GLY HA2 1 64 TYR QD 3.100 . 3.410 3.514 3.462 3.558 0.148 9 0 "[ . 1 . 2]" 1
686 1 64 TYR HA 1 64 TYR QD 3.180 . 3.500 3.678 3.666 3.687 0.187 1 0 "[ . 1 . 2]" 1
687 1 64 TYR HB3 1 64 TYR QD 2.880 . 3.170 2.424 2.386 2.483 . 0 0 "[ . 1 . 2]" 1
688 1 64 TYR HB2 1 64 TYR QD 2.880 . 3.170 2.324 2.288 2.343 . 0 0 "[ . 1 . 2]" 1
689 1 45 ILE MG 1 64 TYR QR 4.390 . 4.830 4.034 3.893 4.248 . 0 0 "[ . 1 . 2]" 1
690 1 47 GLU HA 1 64 TYR QR 3.820 . 4.200 4.278 4.249 4.309 0.109 9 0 "[ . 1 . 2]" 1
691 1 47 GLU QB 1 64 TYR QR 3.250 . 3.580 2.226 2.050 2.452 . 0 0 "[ . 1 . 2]" 1
692 1 48 CYS QB 1 64 TYR QR 3.860 . 4.250 3.650 3.290 4.088 . 0 0 "[ . 1 . 2]" 1
693 1 52 MET ME 1 64 TYR QR 3.090 . 3.400 3.190 2.508 3.421 0.021 8 0 "[ . 1 . 2]" 1
694 1 57 CYS HA 1 64 TYR QR 3.820 . 4.200 3.682 3.543 4.277 0.077 12 0 "[ . 1 . 2]" 1
695 1 59 ASN HA 1 64 TYR QR 3.580 . 3.940 3.972 3.770 4.060 0.120 18 0 "[ . 1 . 2]" 1
696 1 64 TYR QR 1 65 THR HA 3.740 . 4.110 3.215 3.016 3.520 . 0 0 "[ . 1 . 2]" 1
697 1 64 TYR QR 1 65 THR MG 3.410 . 3.750 3.795 2.424 3.946 0.196 15 0 "[ . 1 . 2]" 1
698 1 64 TYR QR 1 66 CYS HA 3.770 . 4.150 4.055 3.871 4.158 0.008 3 0 "[ . 1 . 2]" 1
699 1 56 LEU QD 1 67 TYR QD 3.780 . 4.160 3.449 3.263 3.835 . 0 0 "[ . 1 . 2]" 1
700 1 56 LEU HA 1 67 TYR QD 4.530 . 4.980 4.954 4.230 5.028 0.048 12 0 "[ . 1 . 2]" 1
701 1 56 LEU HG 1 67 TYR QD 4.390 . 4.830 3.337 3.079 4.339 . 0 0 "[ . 1 . 2]" 1
702 1 56 LEU QB 1 67 TYR QD 4.230 . 4.650 2.666 2.046 2.833 . 0 0 "[ . 1 . 2]" 1
703 1 57 CYS HA 1 67 TYR QD 3.920 . 4.310 3.719 3.357 4.292 . 0 0 "[ . 1 . 2]" 1
704 1 58 VAL HA 1 67 TYR QD 4.280 . 4.710 4.808 4.758 5.012 0.302 14 0 "[ . 1 . 2]" 1
705 1 58 VAL HB 1 67 TYR QD 4.220 . 4.640 2.930 2.649 4.008 . 0 0 "[ . 1 . 2]" 1
706 1 58 VAL QG 1 67 TYR QD 3.570 . 3.930 3.145 1.961 3.456 . 0 0 "[ . 1 . 2]" 1
707 1 65 THR HB 1 67 TYR QD 4.060 . 4.470 4.368 3.710 4.523 0.053 4 0 "[ . 1 . 2]" 1
708 1 65 THR MG 1 67 TYR QD 3.950 2.800 4.350 2.804 2.701 3.705 0.099 2 0 "[ . 1 . 2]" 1
709 1 66 CYS HA 1 67 TYR QD 4.060 . 4.470 3.350 3.175 4.448 . 0 0 "[ . 1 . 2]" 1
710 1 67 TYR HA 1 67 TYR QD 3.720 . 4.090 3.596 2.613 3.713 . 0 0 "[ . 1 . 2]" 1
711 1 67 TYR HB3 1 67 TYR QD 3.050 . 3.360 2.586 2.275 2.664 . 0 0 "[ . 1 . 2]" 1
712 1 67 TYR HB2 1 67 TYR QD 3.050 . 3.360 2.272 2.247 2.546 . 0 0 "[ . 1 . 2]" 1
713 1 67 TYR QD 1 68 CYS HA 4.420 . 4.860 4.882 4.333 5.136 0.276 14 0 "[ . 1 . 2]" 1
714 1 56 LEU QB 1 67 TYR QE 3.880 . 4.270 2.722 2.501 4.267 . 0 0 "[ . 1 . 2]" 1
715 1 58 VAL HB 1 67 TYR QE 3.000 . 3.300 2.398 1.687 2.844 0.113 14 0 "[ . 1 . 2]" 1
716 1 58 VAL QG 1 67 TYR QE 2.730 . 3.000 1.826 1.790 1.967 0.010 5 0 "[ . 1 . 2]" 1
717 1 54 ALA MB 1 74 PHE QD 4.810 . 5.290 4.803 3.995 5.347 0.057 1 0 "[ . 1 . 2]" 1
718 1 68 CYS HA 1 74 PHE QD 4.700 . 5.170 5.273 4.773 5.481 0.311 11 0 "[ . 1 . 2]" 1
719 1 69 ASP QB 1 74 PHE QD 3.330 . 3.660 3.729 3.471 3.838 0.178 1 0 "[ . 1 . 2]" 1
720 1 72 LYS HA 1 74 PHE QD 4.010 . 4.410 4.304 3.831 4.544 0.134 5 0 "[ . 1 . 2]" 1
721 1 72 LYS QB 1 74 PHE QD 3.680 . 4.050 1.917 1.814 2.304 . 0 0 "[ . 1 . 2]" 1
722 1 74 PHE HA 1 74 PHE QD 3.410 . 3.750 3.677 3.627 3.745 . 0 0 "[ . 1 . 2]" 1
723 1 74 PHE QD 1 75 LYS QB 3.320 . 3.650 3.866 3.784 3.923 0.273 2 0 "[ . 1 . 2]" 1
724 1 74 PHE QD 1 83 CYS HA 4.310 . 4.740 4.549 4.004 4.806 0.066 5 0 "[ . 1 . 2]" 1
725 1 74 PHE QD 1 83 CYS QB 3.460 . 3.810 3.396 2.893 3.873 0.063 3 0 "[ . 1 . 2]" 1
726 1 74 PHE QD 1 84 GLU HA 4.210 . 4.630 4.133 3.875 4.383 . 0 0 "[ . 1 . 2]" 1
727 1 74 PHE QD 1 85 VAL HA 3.540 . 3.890 3.105 2.770 3.380 . 0 0 "[ . 1 . 2]" 1
728 1 74 PHE QD 1 85 VAL QG 3.760 . 4.140 3.204 2.758 3.362 . 0 0 "[ . 1 . 2]" 1
729 1 54 ALA MB 1 74 PHE QE 4.760 . 5.240 3.382 2.309 4.067 . 0 0 "[ . 1 . 2]" 1
730 1 68 CYS QB 1 74 PHE QE 4.860 . 5.340 1.818 1.742 2.030 0.058 2 0 "[ . 1 . 2]" 1
731 1 71 LYS QD 1 74 PHE QE 4.330 . 4.760 4.061 3.143 4.773 0.013 11 0 "[ . 1 . 2]" 1
732 1 72 LYS HA 1 74 PHE QE 4.190 . 4.610 4.560 4.329 4.688 0.078 3 0 "[ . 1 . 2]" 1
733 1 72 LYS QB 1 74 PHE QE 3.350 . 3.690 1.931 1.765 2.502 0.035 5 0 "[ . 1 . 2]" 1
734 1 74 PHE QE 1 83 CYS HA 5.850 . 6.440 3.659 2.728 4.391 . 0 0 "[ . 1 . 2]" 1
735 1 74 PHE QE 1 84 GLU HA 5.300 . 5.830 4.207 3.779 4.830 . 0 0 "[ . 1 . 2]" 1
736 1 74 PHE QE 1 85 VAL HA 4.480 . 4.930 4.958 4.838 5.025 0.095 1 0 "[ . 1 . 2]" 1
737 1 74 PHE QE 1 85 VAL QG 3.980 . 4.380 4.310 3.521 4.444 0.064 18 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 30
_Distance_constraint_stats_list.Viol_count 273
_Distance_constraint_stats_list.Viol_total 251.851
_Distance_constraint_stats_list.Viol_max 0.178
_Distance_constraint_stats_list.Viol_rms 0.0356
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0210
_Distance_constraint_stats_list.Viol_average_violations_only 0.0461
_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 19 LYS 1.541 0.096 5 0 "[ . 1 . 2]"
1 21 ILE 1.401 0.060 4 0 "[ . 1 . 2]"
1 24 ASP 1.401 0.060 4 0 "[ . 1 . 2]"
1 26 GLU 1.541 0.096 5 0 "[ . 1 . 2]"
1 34 ARG 1.213 0.162 17 0 "[ . 1 . 2]"
1 36 ASN 0.906 0.089 1 0 "[ . 1 . 2]"
1 41 SER 0.906 0.089 1 0 "[ . 1 . 2]"
1 43 GLU 1.213 0.162 17 0 "[ . 1 . 2]"
1 56 LEU 2.513 0.178 12 0 "[ . 1 . 2]"
1 58 VAL 1.001 0.074 10 0 "[ . 1 . 2]"
1 60 TYR 3.401 0.165 1 0 "[ . 1 . 2]"
1 63 GLY 3.401 0.165 1 0 "[ . 1 . 2]"
1 65 THR 1.001 0.074 10 0 "[ . 1 . 2]"
1 67 TYR 2.513 0.178 12 0 "[ . 1 . 2]"
1 75 LYS 0.617 0.088 19 0 "[ . 1 . 2]"
1 84 GLU 0.617 0.088 19 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 19 LYS H 1 26 GLU O 1.900 . 2.400 2.140 1.775 2.432 0.032 4 0 "[ . 1 . 2]" 2
2 1 19 LYS N 1 26 GLU O 2.800 2.700 3.300 2.821 2.604 3.135 0.096 5 0 "[ . 1 . 2]" 2
3 1 19 LYS O 1 26 GLU H 1.900 . 2.400 2.442 2.409 2.468 0.068 11 0 "[ . 1 . 2]" 2
4 1 19 LYS O 1 26 GLU N 2.800 2.700 3.300 2.987 2.813 3.216 . 0 0 "[ . 1 . 2]" 2
5 1 21 ILE H 1 24 ASP O 1.900 . 2.400 2.113 1.782 2.359 0.018 5 0 "[ . 1 . 2]" 2
6 1 21 ILE N 1 24 ASP O 2.800 2.700 3.300 3.067 2.744 3.310 0.010 14 0 "[ . 1 . 2]" 2
7 1 21 ILE O 1 24 ASP H 1.900 . 2.400 2.433 2.421 2.447 0.047 9 0 "[ . 1 . 2]" 2
8 1 21 ILE O 1 24 ASP N 2.800 2.700 3.300 3.334 3.302 3.360 0.060 4 0 "[ . 1 . 2]" 2
9 1 36 ASN H 1 41 SER O 1.900 . 2.400 2.150 1.874 2.251 . 0 0 "[ . 1 . 2]" 2
10 1 36 ASN N 1 41 SER O 2.800 2.700 3.300 3.080 2.822 3.193 . 0 0 "[ . 1 . 2]" 2
11 1 36 ASN O 1 41 SER H 1.900 . 2.400 2.428 2.256 2.489 0.089 1 0 "[ . 1 . 2]" 2
12 1 36 ASN O 1 41 SER N 2.800 2.700 3.300 3.266 3.188 3.341 0.041 9 0 "[ . 1 . 2]" 2
13 1 34 ARG H 1 43 GLU O 2.400 . 2.900 2.195 1.998 2.545 . 0 0 "[ . 1 . 2]" 2
14 1 34 ARG N 1 43 GLU O 2.800 2.700 3.300 2.776 2.538 3.142 0.162 17 0 "[ . 1 . 2]" 2
15 1 34 ARG O 1 43 GLU H 1.900 . 2.400 1.952 1.740 2.466 0.066 17 0 "[ . 1 . 2]" 2
16 1 34 ARG O 1 43 GLU N 2.800 2.700 3.300 2.736 2.624 3.039 0.076 6 0 "[ . 1 . 2]" 2
17 1 56 LEU H 1 67 TYR O 1.900 . 2.400 2.056 1.846 2.423 0.023 14 0 "[ . 1 . 2]" 2
18 1 56 LEU N 1 67 TYR O 2.800 2.700 3.300 2.802 2.591 3.347 0.109 16 0 "[ . 1 . 2]" 2
19 1 56 LEU O 1 67 TYR H 1.900 . 2.400 1.879 1.701 2.529 0.129 12 0 "[ . 1 . 2]" 2
20 1 56 LEU O 1 67 TYR N 2.800 2.700 3.300 2.667 2.541 3.478 0.178 12 0 "[ . 1 . 2]" 2
21 1 58 VAL H 1 65 THR O 1.900 . 2.400 2.171 1.939 2.349 . 0 0 "[ . 1 . 2]" 2
22 1 58 VAL N 1 65 THR O 2.800 2.700 3.300 2.680 2.643 2.730 0.057 15 0 "[ . 1 . 2]" 2
23 1 58 VAL O 1 65 THR H 1.900 . 2.400 2.382 2.186 2.474 0.074 10 0 "[ . 1 . 2]" 2
24 1 58 VAL O 1 65 THR N 2.800 2.700 3.300 2.767 2.670 2.846 0.030 19 0 "[ . 1 . 2]" 2
25 1 60 TYR H 1 63 GLY O 1.900 . 2.400 2.545 2.514 2.565 0.165 1 0 "[ . 1 . 2]" 2
26 1 60 TYR N 1 63 GLY O 2.800 2.700 3.300 3.322 3.275 3.376 0.076 1 0 "[ . 1 . 2]" 2
27 1 75 LYS H 1 84 GLU O 1.900 . 2.400 2.394 2.115 2.488 0.088 19 0 "[ . 1 . 2]" 2
28 1 75 LYS N 1 84 GLU O 2.800 2.700 3.300 3.191 2.916 3.270 . 0 0 "[ . 1 . 2]" 2
29 1 75 LYS O 1 84 GLU H 1.900 . 2.400 2.302 2.039 2.426 0.026 15 0 "[ . 1 . 2]" 2
30 1 75 LYS O 1 84 GLU N 2.800 2.700 3.300 3.093 2.806 3.267 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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