NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372203 |
1d6b   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d6b
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 643
_Distance_constraint_stats_list.Viol_count 725
_Distance_constraint_stats_list.Viol_total 487.859
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0336
_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 ILE 0.039 0.028 20 0 "[ . 1 . 2]"
1 2 MET 0.040 0.028 20 0 "[ . 1 . 2]"
1 3 PHE 0.001 0.001 11 0 "[ . 1 . 2]"
1 4 PHE 0.011 0.010 15 0 "[ . 1 . 2]"
1 5 GLU 0.050 0.038 2 0 "[ . 1 . 2]"
1 6 MET 0.026 0.015 20 0 "[ . 1 . 2]"
1 7 GLN 0.245 0.117 18 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.883 0.049 10 0 "[ . 1 . 2]"
1 10 TRP 4.044 0.146 5 0 "[ . 1 . 2]"
1 11 SER 0.148 0.017 19 0 "[ . 1 . 2]"
1 12 HIS 0.090 0.050 14 0 "[ . 1 . 2]"
1 13 SER 0.020 0.010 10 0 "[ . 1 . 2]"
1 14 GLY 0.443 0.038 15 0 "[ . 1 . 2]"
1 15 VAL 0.268 0.035 10 0 "[ . 1 . 2]"
1 16 CYS 0.369 0.052 1 0 "[ . 1 . 2]"
1 17 ARG 0.698 0.052 1 0 "[ . 1 . 2]"
1 18 ASP 1.247 0.093 6 0 "[ . 1 . 2]"
1 19 LYS 1.140 0.093 6 0 "[ . 1 . 2]"
1 20 SER 0.345 0.033 9 0 "[ . 1 . 2]"
1 21 GLU 5.454 0.193 11 0 "[ . 1 . 2]"
1 22 ARG 7.080 0.193 11 0 "[ . 1 . 2]"
1 23 ASN 0.714 0.057 19 0 "[ . 1 . 2]"
1 24 CYS 0.116 0.032 4 0 "[ . 1 . 2]"
1 25 LYS 0.154 0.026 4 0 "[ . 1 . 2]"
1 26 PRO 0.003 0.003 17 0 "[ . 1 . 2]"
1 27 MET 0.374 0.039 16 0 "[ . 1 . 2]"
1 28 ALA 1.006 0.106 1 0 "[ . 1 . 2]"
1 29 TRP 3.690 0.176 4 0 "[ . 1 . 2]"
1 30 THR 0.787 0.117 18 0 "[ . 1 . 2]"
1 31 TYR 0.077 0.036 18 0 "[ . 1 . 2]"
1 32 CYS 0.425 0.078 19 0 "[ . 1 . 2]"
1 33 GLU 0.049 0.015 1 0 "[ . 1 . 2]"
1 34 ASN 0.091 0.025 17 0 "[ . 1 . 2]"
1 35 ARG 0.310 0.060 3 0 "[ . 1 . 2]"
1 36 ASN 0.954 0.079 16 0 "[ . 1 . 2]"
1 37 GLN 1.145 0.059 14 0 "[ . 1 . 2]"
1 38 LYS 0.735 0.034 13 0 "[ . 1 . 2]"
1 39 CYS 1.227 0.098 4 0 "[ . 1 . 2]"
1 40 CYS 1.569 0.156 6 0 "[ . 1 . 2]"
1 41 GLU 0.429 0.052 1 0 "[ . 1 . 2]"
1 42 TYR 0.700 0.068 18 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 1 ILE HA 1 2 MET H 0.000 . 3.290 2.660 2.156 3.257 . 0 0 "[ . 1 . 2]" 1
2 1 1 ILE HB 1 2 MET H 0.000 . 4.620 3.749 1.445 4.648 0.028 20 0 "[ . 1 . 2]" 1
3 1 2 MET H 1 3 PHE H 0.000 . 5.180 3.916 2.360 4.639 . 0 0 "[ . 1 . 2]" 1
4 1 2 MET HA 1 3 PHE H 0.000 . 3.040 2.461 2.144 3.041 0.001 11 0 "[ . 1 . 2]" 1
5 1 3 PHE H 1 3 PHE HB2 0.000 . 4.310 2.753 2.238 3.780 . 0 0 "[ . 1 . 2]" 1
6 1 3 PHE H 1 3 PHE QB 0.000 . 3.780 2.611 2.195 3.290 . 0 0 "[ . 1 . 2]" 1
7 1 3 PHE H 1 3 PHE HB3 0.000 . 4.310 3.432 2.714 3.942 . 0 0 "[ . 1 . 2]" 1
8 1 3 PHE H 1 4 PHE H 0.000 . 3.850 2.706 1.609 3.814 . 0 0 "[ . 1 . 2]" 1
9 1 3 PHE HA 1 4 PHE H 0.000 . 3.910 3.280 2.496 3.570 . 0 0 "[ . 1 . 2]" 1
10 1 3 PHE QB 1 4 PHE H 0.000 . 4.790 2.627 1.263 3.926 . 0 0 "[ . 1 . 2]" 1
11 1 3 PHE QB 1 5 GLU H 0.000 . 6.680 4.505 2.218 5.689 . 0 0 "[ . 1 . 2]" 1
12 1 3 PHE HB2 1 4 PHE H 0.000 . 4.990 3.146 1.439 4.578 . 0 0 "[ . 1 . 2]" 1
13 1 3 PHE HB3 1 4 PHE H 0.000 . 4.990 3.259 1.264 4.649 . 0 0 "[ . 1 . 2]" 1
14 1 4 PHE H 1 5 GLU H 0.000 . 4.190 3.484 1.684 4.200 0.010 15 0 "[ . 1 . 2]" 1
15 1 4 PHE HA 1 5 GLU H 0.000 . 3.290 2.621 2.148 3.292 0.002 1 0 "[ . 1 . 2]" 1
16 1 4 PHE QB 1 5 GLU H 0.000 . 4.820 3.382 1.369 4.005 . 0 0 "[ . 1 . 2]" 1
17 1 4 PHE QD 1 5 GLU H 0.000 . 7.920 3.903 2.000 4.996 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLU H 1 5 GLU HB2 0.000 . 3.720 3.141 2.381 3.710 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLU H 1 5 GLU QB 0.000 . 3.450 2.831 2.350 3.177 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLU H 1 5 GLU HB3 0.000 . 3.720 3.387 2.525 3.758 0.038 2 0 "[ . 1 . 2]" 1
21 1 5 GLU H 1 6 MET H 0.000 . 3.780 3.434 2.192 3.780 0.000 9 0 "[ . 1 . 2]" 1
22 1 5 GLU HA 1 6 MET H 0.000 . 2.790 2.348 2.137 2.736 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLU QB 1 6 MET H 0.000 . 4.540 3.893 3.717 4.037 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLU QG 1 6 MET H 0.000 . 6.430 3.988 2.661 5.059 . 0 0 "[ . 1 . 2]" 1
25 1 6 MET H 1 6 MET HB2 0.000 . 3.230 2.281 2.086 2.432 . 0 0 "[ . 1 . 2]" 1
26 1 6 MET H 1 6 MET QB 0.000 . 2.940 2.254 2.067 2.394 . 0 0 "[ . 1 . 2]" 1
27 1 6 MET H 1 6 MET HG2 0.000 . 4.030 3.509 2.459 4.045 0.015 20 0 "[ . 1 . 2]" 1
28 1 6 MET H 1 6 MET QG 0.000 . 3.710 2.819 2.382 3.253 . 0 0 "[ . 1 . 2]" 1
29 1 6 MET H 1 6 MET HG3 0.000 . 4.030 3.181 2.457 3.960 . 0 0 "[ . 1 . 2]" 1
30 1 6 MET H 1 31 TYR QD 0.000 . 7.940 3.914 2.478 4.995 . 0 0 "[ . 1 . 2]" 1
31 1 6 MET QB 1 29 TRP HE3 0.000 . 6.680 4.441 3.694 5.378 . 0 0 "[ . 1 . 2]" 1
32 1 6 MET QB 1 31 TYR HA 0.000 . 6.000 3.823 3.146 4.367 . 0 0 "[ . 1 . 2]" 1
33 1 6 MET QB 1 31 TYR QD 0.000 . 6.350 3.041 2.239 4.149 . 0 0 "[ . 1 . 2]" 1
34 1 6 MET HB2 1 31 TYR QD 0.000 . 6.700 3.229 2.304 4.334 . 0 0 "[ . 1 . 2]" 1
35 1 6 MET HB2 1 31 TYR QE 0.000 . 7.930 5.095 4.197 5.740 . 0 0 "[ . 1 . 2]" 1
36 1 6 MET HB3 1 31 TYR QD 0.000 . 6.700 3.925 2.501 5.301 . 0 0 "[ . 1 . 2]" 1
37 1 6 MET HB3 1 31 TYR QE 0.000 . 7.930 5.721 4.648 6.525 . 0 0 "[ . 1 . 2]" 1
38 1 6 MET ME 1 29 TRP HA 0.000 . 6.050 3.309 2.572 4.313 . 0 0 "[ . 1 . 2]" 1
39 1 6 MET ME 1 29 TRP HE3 0.000 . 5.530 3.409 1.380 4.401 . 0 0 "[ . 1 . 2]" 1
40 1 6 MET ME 1 31 TYR QD 0.000 . 8.970 5.913 4.597 6.797 . 0 0 "[ . 1 . 2]" 1
41 1 6 MET QG 1 29 TRP HA 0.000 . 6.680 3.004 1.657 3.882 . 0 0 "[ . 1 . 2]" 1
42 1 6 MET QG 1 29 TRP HE3 0.000 . 4.670 3.485 2.673 4.131 . 0 0 "[ . 1 . 2]" 1
43 1 6 MET QG 1 31 TYR HA 0.000 . 6.120 4.875 4.228 5.252 . 0 0 "[ . 1 . 2]" 1
44 1 6 MET QG 1 31 TYR QE 0.000 . 8.810 6.363 5.603 7.011 . 0 0 "[ . 1 . 2]" 1
45 1 6 MET HG2 1 29 TRP HE3 0.000 . 5.020 3.885 2.701 5.001 . 0 0 "[ . 1 . 2]" 1
46 1 6 MET HG2 1 31 TYR QD 0.000 . 7.940 5.460 4.375 6.263 . 0 0 "[ . 1 . 2]" 1
47 1 6 MET HG3 1 29 TRP HE3 0.000 . 5.020 4.466 3.091 5.023 0.003 2 0 "[ . 1 . 2]" 1
48 1 6 MET HG3 1 31 TYR QD 0.000 . 7.940 5.308 4.373 6.701 . 0 0 "[ . 1 . 2]" 1
49 1 7 GLN H 1 7 GLN QB 0.000 . 3.910 2.609 2.343 2.929 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLN H 1 30 THR HG1 0.000 . 4.000 3.974 3.723 4.117 0.117 18 0 "[ . 1 . 2]" 1
51 1 7 GLN H 1 30 THR MG 0.000 . 6.020 4.080 2.556 4.567 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLN H 1 31 TYR H 0.000 . 4.470 2.882 2.158 3.594 . 0 0 "[ . 1 . 2]" 1
53 1 7 GLN H 1 31 TYR QD 0.000 . 7.940 3.463 2.230 4.892 . 0 0 "[ . 1 . 2]" 1
54 1 7 GLN H 1 31 TYR QE 0.000 . 7.930 4.981 3.935 7.026 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLN HA 1 8 ALA H 0.000 . 3.750 2.258 2.137 3.237 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLN HA 1 31 TYR QD 0.000 . 8.000 4.095 3.096 5.430 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLN HA 1 31 TYR QE 0.000 . 8.000 4.103 2.719 7.262 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLN QB 1 12 HIS HD2 0.000 . 5.560 2.550 1.624 4.084 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLN QB 1 29 TRP HE3 0.000 . 6.680 5.523 5.050 5.759 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLN QB 1 30 THR HG1 0.000 . 6.680 4.184 3.472 5.533 . 0 0 "[ . 1 . 2]" 1
61 1 7 GLN QB 1 30 THR MG 0.000 . 7.340 3.680 1.258 4.162 . 0 0 "[ . 1 . 2]" 1
62 1 7 GLN HB2 1 12 HIS HD2 0.000 . 5.770 2.983 1.733 5.212 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLN HB3 1 12 HIS HD2 0.000 . 5.770 2.950 1.958 4.348 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLN QG 1 8 ALA H 0.000 . 6.650 4.199 3.421 4.643 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLN QG 1 12 HIS HD2 0.000 . 6.680 3.980 2.506 5.830 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLN QG 1 29 TRP HE3 0.000 . 6.680 5.233 4.135 5.966 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLN QG 1 30 THR MG 0.000 . 7.700 5.087 3.040 5.709 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLN O 1 31 TYR H 2.200 . 2.200 2.163 2.016 2.211 0.011 20 0 "[ . 1 . 2]" 1
69 1 7 GLN O 1 31 TYR N 3.200 2.900 3.200 2.946 2.889 3.068 0.011 17 0 "[ . 1 . 2]" 1
70 1 8 ALA H 1 9 CYS H 0.000 . 4.990 4.401 4.096 4.567 . 0 0 "[ . 1 . 2]" 1
71 1 8 ALA H 1 31 TYR QD 0.000 . 7.940 3.734 2.353 5.411 . 0 0 "[ . 1 . 2]" 1
72 1 8 ALA H 1 31 TYR QE 0.000 . 7.930 3.098 1.797 5.887 . 0 0 "[ . 1 . 2]" 1
73 1 8 ALA HA 1 9 CYS H 0.000 . 3.230 2.150 2.136 2.199 . 0 0 "[ . 1 . 2]" 1
74 1 8 ALA HA 1 31 TYR H 0.000 . 4.220 2.964 2.098 3.822 . 0 0 "[ . 1 . 2]" 1
75 1 8 ALA HA 1 31 TYR QE 0.000 . 7.930 2.805 1.372 5.371 . 0 0 "[ . 1 . 2]" 1
76 1 8 ALA MB 1 9 CYS H 0.000 . 4.690 3.264 2.863 3.463 . 0 0 "[ . 1 . 2]" 1
77 1 8 ALA MB 1 10 TRP H 0.000 . 5.250 2.532 2.422 2.637 . 0 0 "[ . 1 . 2]" 1
78 1 8 ALA MB 1 10 TRP HD1 0.000 . 4.870 3.850 3.726 3.931 . 0 0 "[ . 1 . 2]" 1
79 1 8 ALA MB 1 10 TRP HE1 0.000 . 4.910 3.155 3.025 3.239 . 0 0 "[ . 1 . 2]" 1
80 1 8 ALA MB 1 10 TRP HH2 0.000 . 6.830 2.890 2.742 3.138 . 0 0 "[ . 1 . 2]" 1
81 1 8 ALA MB 1 10 TRP HZ2 0.000 . 5.310 2.503 2.369 2.826 . 0 0 "[ . 1 . 2]" 1
82 1 8 ALA MB 1 11 SER H 0.000 . 4.530 2.156 1.945 2.480 . 0 0 "[ . 1 . 2]" 1
83 1 8 ALA MB 1 11 SER HB2 0.000 . 6.830 2.424 2.033 2.892 . 0 0 "[ . 1 . 2]" 1
84 1 8 ALA MB 1 11 SER QB 0.000 . 6.660 2.361 2.020 2.701 . 0 0 "[ . 1 . 2]" 1
85 1 8 ALA MB 1 11 SER HB3 0.000 . 6.830 3.526 2.742 4.207 . 0 0 "[ . 1 . 2]" 1
86 1 8 ALA MB 1 31 TYR H 0.000 . 6.830 4.404 3.595 5.139 . 0 0 "[ . 1 . 2]" 1
87 1 8 ALA MB 1 31 TYR QD 0.000 . 8.970 3.950 2.797 4.654 . 0 0 "[ . 1 . 2]" 1
88 1 8 ALA MB 1 31 TYR QE 0.000 . 7.970 2.900 2.011 4.750 . 0 0 "[ . 1 . 2]" 1
89 1 9 CYS H 1 9 CYS HB2 0.000 . 3.010 2.262 2.143 2.355 . 0 0 "[ . 1 . 2]" 1
90 1 9 CYS H 1 9 CYS HB3 0.000 . 3.010 2.918 2.698 3.035 0.025 8 0 "[ . 1 . 2]" 1
91 1 9 CYS H 1 10 TRP H 0.000 . 3.750 2.871 2.522 3.045 . 0 0 "[ . 1 . 2]" 1
92 1 9 CYS H 1 30 THR MG 0.000 . 6.830 5.000 4.512 5.292 . 0 0 "[ . 1 . 2]" 1
93 1 9 CYS H 1 31 TYR H 0.000 . 3.820 2.918 1.757 3.498 . 0 0 "[ . 1 . 2]" 1
94 1 9 CYS H 1 39 CYS QB 0.000 . 6.680 4.324 3.892 5.668 . 0 0 "[ . 1 . 2]" 1
95 1 9 CYS HA 1 12 HIS QB 0.000 . 5.100 3.533 2.921 4.509 . 0 0 "[ . 1 . 2]" 1
96 1 9 CYS HA 1 30 THR HB 0.000 . 4.220 3.257 1.964 3.987 . 0 0 "[ . 1 . 2]" 1
97 1 9 CYS HA 1 30 THR MG 0.000 . 4.440 3.479 3.229 3.691 . 0 0 "[ . 1 . 2]" 1
98 1 9 CYS HA 1 31 TYR H 0.000 . 5.800 4.004 3.131 4.776 . 0 0 "[ . 1 . 2]" 1
99 1 9 CYS HA 1 39 CYS QB 0.000 . 6.120 3.780 3.330 4.978 . 0 0 "[ . 1 . 2]" 1
100 1 9 CYS QB 1 10 TRP H 0.000 . 3.520 2.861 2.723 3.227 . 0 0 "[ . 1 . 2]" 1
101 1 9 CYS QB 1 30 THR MG 0.000 . 7.710 4.505 4.018 5.006 . 0 0 "[ . 1 . 2]" 1
102 1 9 CYS QB 1 39 CYS QB 0.000 . 4.460 2.619 2.419 3.605 . 0 0 "[ . 1 . 2]" 1
103 1 9 CYS HB2 1 10 TRP H 0.000 . 3.850 3.868 3.802 3.899 0.049 10 0 "[ . 1 . 2]" 1
104 1 9 CYS HB2 1 39 CYS HB2 0.000 . 5.530 2.714 2.465 4.249 . 0 0 "[ . 1 . 2]" 1
105 1 9 CYS HB2 1 39 CYS HB3 0.000 . 5.530 4.040 3.804 4.433 . 0 0 "[ . 1 . 2]" 1
106 1 9 CYS HB3 1 10 TRP H 0.000 . 3.850 2.952 2.781 3.466 . 0 0 "[ . 1 . 2]" 1
107 1 9 CYS HB3 1 39 CYS HB2 0.000 . 5.530 4.117 3.923 4.839 . 0 0 "[ . 1 . 2]" 1
108 1 9 CYS HB3 1 39 CYS HB3 0.000 . 5.530 5.441 4.863 5.573 0.043 5 0 "[ . 1 . 2]" 1
109 1 9 CYS O 1 14 GLY H 2.200 . 2.200 2.157 2.030 2.212 0.012 12 0 "[ . 1 . 2]" 1
110 1 9 CYS O 1 14 GLY N 3.200 2.900 3.200 2.901 2.862 3.009 0.038 15 0 "[ . 1 . 2]" 1
111 1 10 TRP H 1 10 TRP HB2 0.000 . 3.540 3.317 3.278 3.374 . 0 0 "[ . 1 . 2]" 1
112 1 10 TRP H 1 10 TRP QB 0.000 . 3.280 2.933 2.908 2.961 . 0 0 "[ . 1 . 2]" 1
113 1 10 TRP H 1 10 TRP HB3 0.000 . 3.540 3.270 3.209 3.337 . 0 0 "[ . 1 . 2]" 1
114 1 10 TRP H 1 10 TRP HD1 0.000 . 3.880 2.450 2.386 2.520 . 0 0 "[ . 1 . 2]" 1
115 1 10 TRP H 1 10 TRP HE3 0.000 . 4.160 4.211 4.187 4.239 0.079 8 0 "[ . 1 . 2]" 1
116 1 10 TRP H 1 11 SER H 0.000 . 3.410 2.566 2.436 2.699 . 0 0 "[ . 1 . 2]" 1
117 1 10 TRP HA 1 11 SER H 0.000 . 4.000 3.555 3.527 3.568 . 0 0 "[ . 1 . 2]" 1
118 1 10 TRP HA 1 14 GLY H 0.000 . 4.470 3.008 2.805 3.329 . 0 0 "[ . 1 . 2]" 1
119 1 10 TRP QB 1 10 TRP HE3 0.000 . 3.550 2.324 2.317 2.331 . 0 0 "[ . 1 . 2]" 1
120 1 10 TRP QB 1 11 SER H 0.000 . 4.310 2.743 2.568 2.965 . 0 0 "[ . 1 . 2]" 1
121 1 10 TRP QB 1 11 SER QB 0.000 . 7.300 4.257 4.020 4.536 . 0 0 "[ . 1 . 2]" 1
122 1 10 TRP HB2 1 10 TRP HE3 0.000 . 3.750 2.343 2.335 2.350 . 0 0 "[ . 1 . 2]" 1
123 1 10 TRP HB2 1 11 SER H 0.000 . 4.530 2.797 2.607 3.039 . 0 0 "[ . 1 . 2]" 1
124 1 10 TRP HB3 1 10 TRP HE3 0.000 . 3.750 3.872 3.849 3.896 0.146 5 0 "[ . 1 . 2]" 1
125 1 10 TRP HB3 1 11 SER H 0.000 . 4.530 3.973 3.848 4.131 . 0 0 "[ . 1 . 2]" 1
126 1 10 TRP HE3 1 11 SER HA 0.000 . 4.160 3.614 3.406 3.682 . 0 0 "[ . 1 . 2]" 1
127 1 10 TRP HE3 1 11 SER QB 0.000 . 6.680 3.508 2.928 4.202 . 0 0 "[ . 1 . 2]" 1
128 1 10 TRP HH2 1 31 TYR QE 0.000 . 7.930 4.727 4.058 5.621 . 0 0 "[ . 1 . 2]" 1
129 1 10 TRP HZ3 1 11 SER HA 0.000 . 5.240 5.212 4.884 5.257 0.017 19 0 "[ . 1 . 2]" 1
130 1 11 SER H 1 11 SER HB2 0.000 . 3.440 2.217 2.073 2.664 . 0 0 "[ . 1 . 2]" 1
131 1 11 SER H 1 11 SER QB 0.000 . 3.210 2.136 2.053 2.271 . 0 0 "[ . 1 . 2]" 1
132 1 11 SER H 1 11 SER HB3 0.000 . 3.440 3.084 2.431 3.436 . 0 0 "[ . 1 . 2]" 1
133 1 11 SER H 1 12 HIS H 0.000 . 3.160 2.839 2.661 2.992 . 0 0 "[ . 1 . 2]" 1
134 1 11 SER H 1 13 SER H 0.000 . 4.870 4.186 3.932 4.742 . 0 0 "[ . 1 . 2]" 1
135 1 11 SER HA 1 11 SER HB2 0.000 . 3.040 2.708 2.368 2.919 . 0 0 "[ . 1 . 2]" 1
136 1 11 SER HA 1 11 SER HB3 0.000 . 3.040 2.920 2.775 3.027 . 0 0 "[ . 1 . 2]" 1
137 1 11 SER HA 1 12 HIS H 0.000 . 3.630 3.402 3.162 3.511 . 0 0 "[ . 1 . 2]" 1
138 1 11 SER QB 1 12 HIS HD2 0.000 . 6.120 4.193 2.251 5.158 . 0 0 "[ . 1 . 2]" 1
139 1 12 HIS H 1 12 HIS HB2 0.000 . 3.720 2.579 2.245 3.759 0.039 3 0 "[ . 1 . 2]" 1
140 1 12 HIS H 1 12 HIS QB 0.000 . 3.420 2.418 2.216 2.805 . 0 0 "[ . 1 . 2]" 1
141 1 12 HIS H 1 12 HIS HB3 0.000 . 3.720 3.384 2.475 3.770 0.050 14 0 "[ . 1 . 2]" 1
142 1 12 HIS H 1 13 SER H 0.000 . 3.040 2.177 1.682 2.852 . 0 0 "[ . 1 . 2]" 1
143 1 12 HIS QB 1 13 SER H 0.000 . 4.280 3.363 2.927 3.859 . 0 0 "[ . 1 . 2]" 1
144 1 12 HIS QB 1 30 THR MG 0.000 . 5.660 3.398 2.651 3.959 . 0 0 "[ . 1 . 2]" 1
145 1 12 HIS HB2 1 13 SER H 0.000 . 4.530 3.735 3.179 4.394 . 0 0 "[ . 1 . 2]" 1
146 1 12 HIS HB2 1 30 THR MG 0.000 . 5.870 3.742 2.834 4.516 . 0 0 "[ . 1 . 2]" 1
147 1 12 HIS HB3 1 13 SER H 0.000 . 4.530 3.894 3.172 4.407 . 0 0 "[ . 1 . 2]" 1
148 1 12 HIS HB3 1 30 THR MG 0.000 . 5.870 3.978 3.191 4.698 . 0 0 "[ . 1 . 2]" 1
149 1 12 HIS HD2 1 30 THR MG 0.000 . 5.650 3.401 2.055 4.646 . 0 0 "[ . 1 . 2]" 1
150 1 13 SER H 1 13 SER HA 0.000 . 2.790 2.300 2.274 2.344 . 0 0 "[ . 1 . 2]" 1
151 1 13 SER H 1 14 GLY H 0.000 . 3.320 2.973 2.644 3.330 0.010 10 0 "[ . 1 . 2]" 1
152 1 13 SER HA 1 14 GLY H 0.000 . 3.660 2.457 2.323 2.692 . 0 0 "[ . 1 . 2]" 1
153 1 14 GLY H 1 15 VAL H 0.000 . 4.280 4.201 4.037 4.299 0.019 8 0 "[ . 1 . 2]" 1
154 1 14 GLY H 1 15 VAL HA 0.000 . 4.800 4.762 4.675 4.835 0.035 10 0 "[ . 1 . 2]" 1
155 1 14 GLY QA 1 15 VAL H 0.000 . 3.470 2.206 2.152 2.243 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLY QA 1 41 GLU HA 0.000 . 4.660 3.612 3.358 4.001 . 0 0 "[ . 1 . 2]" 1
157 1 14 GLY HA2 1 15 VAL H 0.000 . 3.940 2.883 2.774 3.029 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLY HA3 1 15 VAL H 0.000 . 3.940 2.294 2.202 2.369 . 0 0 "[ . 1 . 2]" 1
159 1 15 VAL H 1 15 VAL HB 0.000 . 3.160 2.907 2.705 3.186 0.026 4 0 "[ . 1 . 2]" 1
160 1 15 VAL H 1 16 CYS H 0.000 . 4.930 4.424 4.399 4.456 . 0 0 "[ . 1 . 2]" 1
161 1 15 VAL H 1 40 CYS H 0.000 . 3.290 3.140 2.863 3.296 0.006 18 0 "[ . 1 . 2]" 1
162 1 15 VAL H 1 40 CYS QB 0.000 . 6.650 4.397 3.686 4.702 . 0 0 "[ . 1 . 2]" 1
163 1 15 VAL H 1 40 CYS O 2.200 . 2.200 2.126 1.998 2.211 0.011 15 0 "[ . 1 . 2]" 1
164 1 15 VAL H 1 41 GLU HA 0.000 . 5.370 4.533 4.359 4.873 . 0 0 "[ . 1 . 2]" 1
165 1 15 VAL HA 1 16 CYS H 0.000 . 2.760 2.423 2.247 2.573 . 0 0 "[ . 1 . 2]" 1
166 1 15 VAL HB 1 16 CYS H 0.000 . 4.280 3.384 2.605 3.710 . 0 0 "[ . 1 . 2]" 1
167 1 15 VAL HB 1 16 CYS HA 0.000 . 4.750 4.468 4.024 4.722 . 0 0 "[ . 1 . 2]" 1
168 1 15 VAL HB 1 40 CYS H 0.000 . 5.400 3.465 3.090 3.893 . 0 0 "[ . 1 . 2]" 1
169 1 15 VAL HB 1 40 CYS QB 0.000 . 5.560 3.668 2.667 3.941 . 0 0 "[ . 1 . 2]" 1
170 1 15 VAL QG 1 16 CYS H 0.000 . 4.600 1.706 1.270 2.163 . 0 0 "[ . 1 . 2]" 1
171 1 15 VAL QG 1 17 ARG H 0.000 . 8.390 3.985 3.554 4.773 . 0 0 "[ . 1 . 2]" 1
172 1 15 VAL QG 1 17 ARG QD 0.000 . 7.080 2.515 1.591 3.997 . 0 0 "[ . 1 . 2]" 1
173 1 15 VAL QG 1 17 ARG HE 0.000 . 6.930 3.060 1.751 4.209 . 0 0 "[ . 1 . 2]" 1
174 1 15 VAL QG 1 17 ARG QG 0.000 . 6.630 3.263 2.480 4.128 . 0 0 "[ . 1 . 2]" 1
175 1 15 VAL QG 1 40 CYS H 0.000 . 6.500 3.848 3.537 4.165 . 0 0 "[ . 1 . 2]" 1
176 1 15 VAL QG 1 40 CYS QB 0.000 . 6.500 3.790 2.630 4.165 . 0 0 "[ . 1 . 2]" 1
177 1 15 VAL QG 1 42 TYR H 0.000 . 6.250 3.697 3.227 4.177 . 0 0 "[ . 1 . 2]" 1
178 1 15 VAL QG 1 42 TYR HA 0.000 . 4.960 1.928 1.572 2.459 . 0 0 "[ . 1 . 2]" 1
179 1 15 VAL QG 1 42 TYR QB 0.000 . 6.960 3.497 3.091 3.848 . 0 0 "[ . 1 . 2]" 1
180 1 15 VAL QG 1 42 TYR QD 0.000 . 8.250 2.945 1.782 4.025 . 0 0 "[ . 1 . 2]" 1
181 1 15 VAL QG 1 42 TYR QE 0.000 . 10.710 3.982 3.149 5.037 . 0 0 "[ . 1 . 2]" 1
182 1 15 VAL MG1 1 16 CYS H 0.000 . 4.940 1.709 1.270 2.171 . 0 0 "[ . 1 . 2]" 1
183 1 15 VAL MG1 1 17 ARG HD2 0.000 . 8.580 2.842 1.677 5.052 . 0 0 "[ . 1 . 2]" 1
184 1 15 VAL MG1 1 17 ARG HD3 0.000 . 8.580 3.472 1.609 5.416 . 0 0 "[ . 1 . 2]" 1
185 1 15 VAL MG1 1 17 ARG QG 0.000 . 7.700 3.333 2.488 4.477 . 0 0 "[ . 1 . 2]" 1
186 1 15 VAL MG1 1 40 CYS H 0.000 . 6.830 4.301 3.729 4.848 . 0 0 "[ . 1 . 2]" 1
187 1 15 VAL MG1 1 40 CYS HB2 0.000 . 8.330 4.793 4.049 5.354 . 0 0 "[ . 1 . 2]" 1
188 1 15 VAL MG1 1 40 CYS HB3 0.000 . 8.330 5.639 4.404 6.350 . 0 0 "[ . 1 . 2]" 1
189 1 15 VAL MG1 1 42 TYR H 0.000 . 6.830 5.573 5.148 5.694 . 0 0 "[ . 1 . 2]" 1
190 1 15 VAL MG1 1 42 TYR HA 0.000 . 5.560 4.365 3.803 4.650 . 0 0 "[ . 1 . 2]" 1
191 1 15 VAL MG1 1 42 TYR HB2 0.000 . 8.360 6.090 5.590 6.606 . 0 0 "[ . 1 . 2]" 1
192 1 15 VAL MG1 1 42 TYR HB3 0.000 . 8.360 6.207 5.837 6.570 . 0 0 "[ . 1 . 2]" 1
193 1 15 VAL MG1 1 42 TYR QD 0.000 . 8.790 4.738 3.581 5.500 . 0 0 "[ . 1 . 2]" 1
194 1 15 VAL MG2 1 16 CYS H 0.000 . 4.940 3.823 3.510 4.189 . 0 0 "[ . 1 . 2]" 1
195 1 15 VAL MG2 1 17 ARG HD2 0.000 . 8.580 4.420 3.755 6.017 . 0 0 "[ . 1 . 2]" 1
196 1 15 VAL MG2 1 17 ARG HD3 0.000 . 8.580 4.886 3.523 6.121 . 0 0 "[ . 1 . 2]" 1
197 1 15 VAL MG2 1 17 ARG QG 0.000 . 7.700 4.981 4.472 5.675 . 0 0 "[ . 1 . 2]" 1
198 1 15 VAL MG2 1 40 CYS H 0.000 . 6.830 4.523 3.666 5.136 . 0 0 "[ . 1 . 2]" 1
199 1 15 VAL MG2 1 40 CYS HB2 0.000 . 8.330 4.453 3.533 5.394 . 0 0 "[ . 1 . 2]" 1
200 1 15 VAL MG2 1 40 CYS HB3 0.000 . 8.330 5.396 2.758 6.184 . 0 0 "[ . 1 . 2]" 1
201 1 15 VAL MG2 1 42 TYR H 0.000 . 6.830 3.768 3.247 4.323 . 0 0 "[ . 1 . 2]" 1
202 1 15 VAL MG2 1 42 TYR HA 0.000 . 5.560 1.931 1.572 2.470 . 0 0 "[ . 1 . 2]" 1
203 1 15 VAL MG2 1 42 TYR HB2 0.000 . 8.360 3.819 3.233 4.383 . 0 0 "[ . 1 . 2]" 1
204 1 15 VAL MG2 1 42 TYR HB3 0.000 . 8.360 4.229 3.921 4.672 . 0 0 "[ . 1 . 2]" 1
205 1 15 VAL MG2 1 42 TYR QD 0.000 . 8.790 2.983 1.787 4.160 . 0 0 "[ . 1 . 2]" 1
206 1 15 VAL N 1 40 CYS O 3.200 2.900 3.200 3.007 2.899 3.132 0.001 17 0 "[ . 1 . 2]" 1
207 1 15 VAL O 1 40 CYS H 2.200 . 2.200 2.150 2.019 2.212 0.012 11 0 "[ . 1 . 2]" 1
208 1 15 VAL O 1 40 CYS N 3.200 2.900 3.200 2.927 2.885 3.037 0.015 11 0 "[ . 1 . 2]" 1
209 1 16 CYS H 1 16 CYS HB2 0.000 . 3.290 2.698 2.434 3.313 0.023 14 0 "[ . 1 . 2]" 1
210 1 16 CYS H 1 17 ARG H 0.000 . 4.100 4.095 4.043 4.120 0.020 14 0 "[ . 1 . 2]" 1
211 1 16 CYS HA 1 17 ARG H 0.000 . 2.980 2.146 2.128 2.178 . 0 0 "[ . 1 . 2]" 1
212 1 16 CYS HA 1 17 ARG QB 0.000 . 5.380 4.789 4.691 4.851 . 0 0 "[ . 1 . 2]" 1
213 1 16 CYS HA 1 17 ARG QG 0.000 . 4.800 3.204 3.068 3.692 . 0 0 "[ . 1 . 2]" 1
214 1 16 CYS HA 1 37 GLN QG 0.000 . 4.800 3.632 3.372 3.849 . 0 0 "[ . 1 . 2]" 1
215 1 16 CYS HA 1 38 LYS H 0.000 . 4.310 4.165 3.901 4.327 0.017 5 0 "[ . 1 . 2]" 1
216 1 16 CYS HA 1 39 CYS HA 0.000 . 4.000 2.549 2.339 2.763 . 0 0 "[ . 1 . 2]" 1
217 1 16 CYS HA 1 40 CYS H 0.000 . 3.910 3.374 3.114 3.700 . 0 0 "[ . 1 . 2]" 1
218 1 16 CYS QB 1 17 ARG H 0.000 . 4.300 3.505 3.317 3.899 . 0 0 "[ . 1 . 2]" 1
219 1 16 CYS QB 1 32 CYS QB 0.000 . 5.120 3.182 1.334 3.961 . 0 0 "[ . 1 . 2]" 1
220 1 16 CYS QB 1 37 GLN QB 0.000 . 4.360 2.603 2.399 3.304 . 0 0 "[ . 1 . 2]" 1
221 1 16 CYS QB 1 37 GLN QG 0.000 . 6.000 2.789 2.347 3.754 . 0 0 "[ . 1 . 2]" 1
222 1 16 CYS QB 1 38 LYS H 0.000 . 6.430 4.394 3.977 5.179 . 0 0 "[ . 1 . 2]" 1
223 1 16 CYS HB2 1 17 ARG H 0.000 . 4.500 4.421 4.199 4.552 0.052 1 0 "[ . 1 . 2]" 1
224 1 16 CYS HB2 1 32 CYS HB2 0.000 . 6.030 5.065 1.337 5.970 . 0 0 "[ . 1 . 2]" 1
225 1 16 CYS HB2 1 32 CYS HB3 0.000 . 6.030 4.605 3.047 6.011 . 0 0 "[ . 1 . 2]" 1
226 1 16 CYS HB2 1 37 GLN HB2 0.000 . 5.440 5.349 4.833 5.465 0.025 2 0 "[ . 1 . 2]" 1
227 1 16 CYS HB2 1 37 GLN HB3 0.000 . 5.440 4.198 3.563 4.416 . 0 0 "[ . 1 . 2]" 1
228 1 16 CYS HB3 1 17 ARG H 0.000 . 4.500 3.691 3.457 4.509 0.009 14 0 "[ . 1 . 2]" 1
229 1 16 CYS HB3 1 32 CYS HB2 0.000 . 6.030 4.192 2.896 5.495 . 0 0 "[ . 1 . 2]" 1
230 1 16 CYS HB3 1 32 CYS HB3 0.000 . 6.030 3.779 3.141 4.996 . 0 0 "[ . 1 . 2]" 1
231 1 16 CYS HB3 1 37 GLN HB2 0.000 . 5.440 3.984 3.725 5.271 . 0 0 "[ . 1 . 2]" 1
232 1 16 CYS HB3 1 37 GLN HB3 0.000 . 5.440 2.721 2.456 4.284 . 0 0 "[ . 1 . 2]" 1
233 1 17 ARG H 1 17 ARG HB2 0.000 . 3.910 3.383 3.222 3.648 . 0 0 "[ . 1 . 2]" 1
234 1 17 ARG H 1 17 ARG QB 0.000 . 3.500 3.103 3.035 3.231 . 0 0 "[ . 1 . 2]" 1
235 1 17 ARG H 1 17 ARG HB3 0.000 . 3.910 3.629 3.496 3.781 . 0 0 "[ . 1 . 2]" 1
236 1 17 ARG H 1 17 ARG HD2 0.000 . 5.800 3.898 2.443 4.614 . 0 0 "[ . 1 . 2]" 1
237 1 17 ARG H 1 17 ARG HD3 0.000 . 5.800 4.369 3.443 4.755 . 0 0 "[ . 1 . 2]" 1
238 1 17 ARG H 1 17 ARG QG 0.000 . 5.130 1.801 1.556 2.020 . 0 0 "[ . 1 . 2]" 1
239 1 17 ARG H 1 18 ASP H 0.000 . 5.300 4.435 4.313 4.506 . 0 0 "[ . 1 . 2]" 1
240 1 17 ARG H 1 37 GLN QB 0.000 . 6.150 4.386 3.819 4.840 . 0 0 "[ . 1 . 2]" 1
241 1 17 ARG H 1 38 LYS H 0.000 . 3.410 3.135 2.962 3.317 . 0 0 "[ . 1 . 2]" 1
242 1 17 ARG H 1 38 LYS HG2 0.000 . 5.800 5.484 4.871 5.811 0.011 13 0 "[ . 1 . 2]" 1
243 1 17 ARG H 1 38 LYS HG3 0.000 . 5.800 4.370 3.717 4.761 . 0 0 "[ . 1 . 2]" 1
244 1 17 ARG H 1 38 LYS O 2.200 . 2.200 2.195 2.125 2.232 0.032 4 0 "[ . 1 . 2]" 1
245 1 17 ARG H 1 39 CYS HA 0.000 . 4.000 3.916 3.803 4.013 0.013 7 0 "[ . 1 . 2]" 1
246 1 17 ARG H 1 40 CYS H 0.000 . 4.810 4.007 3.686 4.405 . 0 0 "[ . 1 . 2]" 1
247 1 17 ARG HA 1 18 ASP H 0.000 . 4.000 2.470 2.193 2.757 . 0 0 "[ . 1 . 2]" 1
248 1 17 ARG QB 1 18 ASP H 0.000 . 3.330 2.431 1.784 2.979 . 0 0 "[ . 1 . 2]" 1
249 1 17 ARG QB 1 18 ASP QB 0.000 . 6.070 3.814 3.416 4.444 . 0 0 "[ . 1 . 2]" 1
250 1 17 ARG QB 1 21 GLU QB 0.000 . 5.940 2.113 1.683 2.826 . 0 0 "[ . 1 . 2]" 1
251 1 17 ARG QB 1 21 GLU QG 0.000 . 6.710 2.157 1.545 3.276 . 0 0 "[ . 1 . 2]" 1
252 1 17 ARG HB2 1 18 ASP H 0.000 . 3.660 2.584 1.799 3.362 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG HB2 1 18 ASP QB 0.000 . 6.680 4.005 3.510 4.690 . 0 0 "[ . 1 . 2]" 1
254 1 17 ARG HB3 1 18 ASP H 0.000 . 3.660 3.080 2.666 3.681 0.021 6 0 "[ . 1 . 2]" 1
255 1 17 ARG HB3 1 18 ASP QB 0.000 . 6.680 4.830 4.209 5.508 . 0 0 "[ . 1 . 2]" 1
256 1 17 ARG QD 1 18 ASP H 0.000 . 6.680 5.070 4.483 5.644 . 0 0 "[ . 1 . 2]" 1
257 1 17 ARG QD 1 21 GLU QG 0.000 . 5.450 3.510 2.674 4.060 . 0 0 "[ . 1 . 2]" 1
258 1 17 ARG QD 1 40 CYS QB 0.000 . 7.300 3.266 1.614 4.246 . 0 0 "[ . 1 . 2]" 1
259 1 17 ARG HD2 1 21 GLU HG2 0.000 . 6.740 5.504 4.148 6.607 . 0 0 "[ . 1 . 2]" 1
260 1 17 ARG HD2 1 21 GLU HG3 0.000 . 6.740 5.083 3.877 6.555 . 0 0 "[ . 1 . 2]" 1
261 1 17 ARG HD3 1 21 GLU HG2 0.000 . 6.740 4.658 2.853 6.748 0.008 7 0 "[ . 1 . 2]" 1
262 1 17 ARG HD3 1 21 GLU HG3 0.000 . 6.740 4.324 2.772 6.358 . 0 0 "[ . 1 . 2]" 1
263 1 17 ARG QG 1 18 ASP H 0.000 . 6.270 4.171 3.612 4.572 . 0 0 "[ . 1 . 2]" 1
264 1 17 ARG QG 1 18 ASP QB 0.000 . 7.550 5.376 4.742 5.898 . 0 0 "[ . 1 . 2]" 1
265 1 17 ARG QG 1 37 GLN HA 0.000 . 6.680 5.865 5.585 6.015 . 0 0 "[ . 1 . 2]" 1
266 1 17 ARG QG 1 38 LYS HG2 0.000 . 6.680 5.715 5.218 6.010 . 0 0 "[ . 1 . 2]" 1
267 1 17 ARG QG 1 38 LYS HG3 0.000 . 6.680 4.587 3.804 5.557 . 0 0 "[ . 1 . 2]" 1
268 1 17 ARG QG 1 40 CYS QB 0.000 . 6.600 3.389 2.374 4.334 . 0 0 "[ . 1 . 2]" 1
269 1 17 ARG N 1 38 LYS O 3.200 2.900 3.200 2.997 2.891 3.077 0.009 1 0 "[ . 1 . 2]" 1
270 1 17 ARG O 1 38 LYS H 2.200 . 2.200 1.995 1.966 2.060 0.034 13 0 "[ . 1 . 2]" 1
271 1 17 ARG O 1 38 LYS N 3.200 2.900 3.200 2.932 2.892 2.979 0.008 19 0 "[ . 1 . 2]" 1
272 1 18 ASP H 1 18 ASP QB 0.000 . 3.790 2.388 2.049 2.924 . 0 0 "[ . 1 . 2]" 1
273 1 18 ASP H 1 19 LYS H 0.000 . 4.500 4.549 4.455 4.593 0.093 6 0 "[ . 1 . 2]" 1
274 1 18 ASP H 1 20 SER H 0.000 . 5.580 4.951 4.319 5.582 0.002 9 0 "[ . 1 . 2]" 1
275 1 18 ASP H 1 21 GLU H 0.000 . 5.020 4.576 4.073 5.034 0.014 10 0 "[ . 1 . 2]" 1
276 1 18 ASP H 1 21 GLU HB2 0.000 . 4.560 3.180 2.644 3.593 . 0 0 "[ . 1 . 2]" 1
277 1 18 ASP H 1 21 GLU QB 0.000 . 4.370 3.120 2.570 3.521 . 0 0 "[ . 1 . 2]" 1
278 1 18 ASP H 1 21 GLU HB3 0.000 . 5.060 4.567 3.499 5.074 0.014 14 0 "[ . 1 . 2]" 1
279 1 18 ASP H 1 21 GLU HG2 0.000 . 5.800 4.760 4.300 5.268 . 0 0 "[ . 1 . 2]" 1
280 1 18 ASP H 1 21 GLU QG 0.000 . 5.530 3.611 2.929 4.843 . 0 0 "[ . 1 . 2]" 1
281 1 18 ASP H 1 21 GLU HG3 0.000 . 5.800 3.926 2.980 5.818 0.018 1 0 "[ . 1 . 2]" 1
282 1 18 ASP H 1 37 GLN HE21 0.000 . 5.800 3.742 2.497 4.445 . 0 0 "[ . 1 . 2]" 1
283 1 18 ASP H 1 37 GLN HE22 0.000 . 5.800 5.258 4.000 5.806 0.006 3 0 "[ . 1 . 2]" 1
284 1 18 ASP HA 1 19 LYS H 0.000 . 2.980 2.170 2.140 2.238 . 0 0 "[ . 1 . 2]" 1
285 1 18 ASP HA 1 20 SER H 0.000 . 4.800 3.739 3.514 4.104 . 0 0 "[ . 1 . 2]" 1
286 1 18 ASP HA 1 37 GLN HA 0.000 . 4.000 3.166 2.591 3.620 . 0 0 "[ . 1 . 2]" 1
287 1 18 ASP HA 1 37 GLN QE 0.000 . 6.670 3.977 2.083 4.613 . 0 0 "[ . 1 . 2]" 1
288 1 18 ASP HA 1 37 GLN HG2 0.000 . 3.690 3.649 3.442 3.705 0.015 15 0 "[ . 1 . 2]" 1
289 1 18 ASP HA 1 37 GLN HG3 0.000 . 3.690 2.875 2.063 3.546 . 0 0 "[ . 1 . 2]" 1
290 1 18 ASP HA 1 38 LYS H 0.000 . 4.370 4.098 3.669 4.343 . 0 0 "[ . 1 . 2]" 1
291 1 18 ASP QB 1 19 LYS H 0.000 . 4.510 3.217 2.902 3.813 . 0 0 "[ . 1 . 2]" 1
292 1 18 ASP QB 1 19 LYS HA 0.000 . 6.120 4.724 4.572 5.154 . 0 0 "[ . 1 . 2]" 1
293 1 18 ASP QB 1 19 LYS QB 0.000 . 7.550 4.738 4.185 5.151 . 0 0 "[ . 1 . 2]" 1
294 1 18 ASP QB 1 20 SER H 0.000 . 4.440 2.474 2.112 3.507 . 0 0 "[ . 1 . 2]" 1
295 1 18 ASP QB 1 21 GLU H 0.000 . 4.720 3.166 2.719 3.870 . 0 0 "[ . 1 . 2]" 1
296 1 18 ASP QB 1 21 GLU QB 0.000 . 7.460 3.091 1.986 3.910 . 0 0 "[ . 1 . 2]" 1
297 1 18 ASP QB 1 21 GLU HG2 0.000 . 6.270 4.642 3.495 5.443 . 0 0 "[ . 1 . 2]" 1
298 1 18 ASP QB 1 21 GLU QG 0.000 . 5.990 3.927 2.973 4.830 . 0 0 "[ . 1 . 2]" 1
299 1 18 ASP QB 1 21 GLU HG3 0.000 . 6.270 4.264 3.219 5.465 . 0 0 "[ . 1 . 2]" 1
300 1 18 ASP QB 1 37 GLN HA 0.000 . 6.580 5.063 4.574 5.467 . 0 0 "[ . 1 . 2]" 1
301 1 18 ASP QB 1 37 GLN QG 0.000 . 6.750 4.385 3.865 4.840 . 0 0 "[ . 1 . 2]" 1
302 1 19 LYS H 1 19 LYS QD 0.000 . 5.680 3.207 1.346 4.748 . 0 0 "[ . 1 . 2]" 1
303 1 19 LYS H 1 19 LYS HG2 0.000 . 3.940 3.458 2.512 3.954 0.014 16 0 "[ . 1 . 2]" 1
304 1 19 LYS H 1 19 LYS QG 0.000 . 3.680 2.803 1.739 3.363 . 0 0 "[ . 1 . 2]" 1
305 1 19 LYS H 1 19 LYS HG3 0.000 . 3.940 3.217 1.746 3.914 . 0 0 "[ . 1 . 2]" 1
306 1 19 LYS H 1 19 LYS QZ 0.000 . 6.610 4.444 3.402 5.462 . 0 0 "[ . 1 . 2]" 1
307 1 19 LYS H 1 20 SER H 0.000 . 3.750 2.836 2.701 3.046 . 0 0 "[ . 1 . 2]" 1
308 1 19 LYS H 1 21 GLU H 0.000 . 5.800 4.305 4.127 4.528 . 0 0 "[ . 1 . 2]" 1
309 1 19 LYS H 1 37 GLN HA 0.000 . 3.720 2.877 2.176 3.344 . 0 0 "[ . 1 . 2]" 1
310 1 19 LYS H 1 37 GLN QB 0.000 . 6.650 4.887 4.249 5.365 . 0 0 "[ . 1 . 2]" 1
311 1 19 LYS H 1 37 GLN QG 0.000 . 5.940 3.798 3.242 4.445 . 0 0 "[ . 1 . 2]" 1
312 1 19 LYS H 1 38 LYS H 0.000 . 4.410 3.874 3.225 4.165 . 0 0 "[ . 1 . 2]" 1
313 1 19 LYS HA 1 19 LYS HG2 0.000 . 4.310 3.645 2.065 4.246 . 0 0 "[ . 1 . 2]" 1
314 1 19 LYS HA 1 19 LYS HG3 0.000 . 4.310 3.700 3.339 4.249 . 0 0 "[ . 1 . 2]" 1
315 1 19 LYS HA 1 20 SER H 0.000 . 3.820 3.379 3.096 3.554 . 0 0 "[ . 1 . 2]" 1
316 1 19 LYS HA 1 21 GLU H 0.000 . 3.850 3.681 3.252 3.876 0.026 16 0 "[ . 1 . 2]" 1
317 1 19 LYS HA 1 38 LYS H 0.000 . 4.090 3.383 2.917 4.015 . 0 0 "[ . 1 . 2]" 1
318 1 19 LYS HA 1 38 LYS QB 0.000 . 6.680 3.516 3.190 3.751 . 0 0 "[ . 1 . 2]" 1
319 1 19 LYS HA 1 38 LYS HD2 0.000 . 4.220 2.964 1.513 3.659 . 0 0 "[ . 1 . 2]" 1
320 1 19 LYS HA 1 38 LYS QD 0.000 . 3.530 1.999 1.501 2.698 . 0 0 "[ . 1 . 2]" 1
321 1 19 LYS HA 1 38 LYS HD3 0.000 . 4.220 2.324 1.505 3.832 . 0 0 "[ . 1 . 2]" 1
322 1 19 LYS HA 1 38 LYS HE2 0.000 . 4.090 2.712 1.625 3.660 . 0 0 "[ . 1 . 2]" 1
323 1 19 LYS HA 1 38 LYS QE 0.000 . 3.600 2.510 1.618 3.050 . 0 0 "[ . 1 . 2]" 1
324 1 19 LYS HA 1 38 LYS HE3 0.000 . 4.090 3.191 2.048 3.996 . 0 0 "[ . 1 . 2]" 1
325 1 19 LYS HA 1 38 LYS HG2 0.000 . 4.250 2.039 1.466 2.586 . 0 0 "[ . 1 . 2]" 1
326 1 19 LYS HA 1 38 LYS QG 0.000 . 3.760 1.551 1.229 1.781 . 0 0 "[ . 1 . 2]" 1
327 1 19 LYS HA 1 38 LYS HG3 0.000 . 4.250 1.755 1.237 2.573 . 0 0 "[ . 1 . 2]" 1
328 1 19 LYS HA 1 38 LYS QZ 0.000 . 6.460 3.747 2.949 4.271 . 0 0 "[ . 1 . 2]" 1
329 1 19 LYS QB 1 20 SER H 0.000 . 4.410 3.469 2.784 3.971 . 0 0 "[ . 1 . 2]" 1
330 1 19 LYS QB 1 38 LYS QZ 0.000 . 7.490 4.616 3.431 5.213 . 0 0 "[ . 1 . 2]" 1
331 1 19 LYS QD 1 21 GLU H 0.000 . 6.680 4.898 3.562 5.961 . 0 0 "[ . 1 . 2]" 1
332 1 19 LYS QD 1 38 LYS H 0.000 . 6.680 5.475 4.488 6.017 . 0 0 "[ . 1 . 2]" 1
333 1 19 LYS QE 1 20 SER HA 0.000 . 6.680 4.639 2.533 5.865 . 0 0 "[ . 1 . 2]" 1
334 1 19 LYS QG 1 20 SER H 0.000 . 5.240 3.447 1.894 4.627 . 0 0 "[ . 1 . 2]" 1
335 1 19 LYS QG 1 21 GLU H 0.000 . 6.680 5.020 4.175 5.614 . 0 0 "[ . 1 . 2]" 1
336 1 19 LYS HG2 1 20 SER H 0.000 . 5.430 4.085 1.916 5.020 . 0 0 "[ . 1 . 2]" 1
337 1 19 LYS HG3 1 20 SER H 0.000 . 5.430 4.023 2.582 5.446 0.016 10 0 "[ . 1 . 2]" 1
338 1 20 SER H 1 20 SER HB2 0.000 . 3.160 2.448 2.123 2.887 . 0 0 "[ . 1 . 2]" 1
339 1 20 SER H 1 20 SER HB3 0.000 . 3.160 3.134 2.943 3.181 0.021 10 0 "[ . 1 . 2]" 1
340 1 20 SER H 1 21 GLU H 0.000 . 3.070 2.437 1.827 2.889 . 0 0 "[ . 1 . 2]" 1
341 1 20 SER HA 1 20 SER HB2 0.000 . 2.950 2.771 2.662 2.821 . 0 0 "[ . 1 . 2]" 1
342 1 20 SER HA 1 20 SER HB3 0.000 . 2.950 2.916 2.878 2.980 0.030 14 0 "[ . 1 . 2]" 1
343 1 20 SER HA 1 21 GLU H 0.000 . 3.540 3.075 3.011 3.191 . 0 0 "[ . 1 . 2]" 1
344 1 20 SER QB 1 21 GLU H 0.000 . 4.010 3.636 3.500 3.691 . 0 0 "[ . 1 . 2]" 1
345 1 20 SER HB2 1 21 GLU H 0.000 . 4.220 4.219 4.132 4.253 0.033 9 0 "[ . 1 . 2]" 1
346 1 20 SER HB3 1 21 GLU H 0.000 . 4.220 3.972 3.741 4.071 . 0 0 "[ . 1 . 2]" 1
347 1 21 GLU H 1 21 GLU HA 0.000 . 3.070 2.798 2.653 2.894 . 0 0 "[ . 1 . 2]" 1
348 1 21 GLU H 1 21 GLU HB2 0.000 . 3.070 2.417 2.102 3.009 . 0 0 "[ . 1 . 2]" 1
349 1 21 GLU H 1 21 GLU HB3 0.000 . 3.070 2.735 2.156 3.081 0.011 10 0 "[ . 1 . 2]" 1
350 1 21 GLU H 1 21 GLU HG2 0.000 . 4.220 4.219 4.059 4.277 0.057 16 0 "[ . 1 . 2]" 1
351 1 21 GLU H 1 21 GLU HG3 0.000 . 4.220 4.204 4.107 4.288 0.068 5 0 "[ . 1 . 2]" 1
352 1 21 GLU H 1 22 ARG H 0.000 . 4.370 4.511 4.409 4.563 0.193 11 0 "[ . 1 . 2]" 1
353 1 21 GLU H 1 23 ASN H 0.000 . 5.490 5.326 5.035 5.494 0.004 8 0 "[ . 1 . 2]" 1
354 1 21 GLU H 1 38 LYS HE2 0.000 . 4.620 3.083 1.870 4.275 . 0 0 "[ . 1 . 2]" 1
355 1 21 GLU H 1 38 LYS QE 0.000 . 4.230 2.563 1.574 3.278 . 0 0 "[ . 1 . 2]" 1
356 1 21 GLU H 1 38 LYS HE3 0.000 . 4.620 3.368 1.578 4.557 . 0 0 "[ . 1 . 2]" 1
357 1 21 GLU HA 1 21 GLU HB2 0.000 . 3.130 2.561 2.265 2.774 . 0 0 "[ . 1 . 2]" 1
358 1 21 GLU HA 1 21 GLU HB3 0.000 . 3.130 2.960 2.906 2.998 . 0 0 "[ . 1 . 2]" 1
359 1 21 GLU HA 1 22 ARG H 0.000 . 2.700 2.184 2.104 2.267 . 0 0 "[ . 1 . 2]" 1
360 1 21 GLU HA 1 22 ARG QB 0.000 . 6.680 4.002 3.977 4.016 . 0 0 "[ . 1 . 2]" 1
361 1 21 GLU HA 1 23 ASN H 0.000 . 3.850 3.667 3.298 3.866 0.016 10 0 "[ . 1 . 2]" 1
362 1 21 GLU QB 1 23 ASN H 0.000 . 3.790 3.137 2.780 3.517 . 0 0 "[ . 1 . 2]" 1
363 1 21 GLU QB 1 38 LYS QB 0.000 . 5.880 4.453 4.225 4.609 . 0 0 "[ . 1 . 2]" 1
364 1 21 GLU QB 1 38 LYS QE 0.000 . 4.320 2.930 1.882 3.463 . 0 0 "[ . 1 . 2]" 1
365 1 21 GLU HB2 1 22 ARG H 0.000 . 4.000 4.082 4.034 4.120 0.120 9 0 "[ . 1 . 2]" 1
366 1 21 GLU HB2 1 23 ASN H 0.000 . 4.500 4.238 3.805 4.460 . 0 0 "[ . 1 . 2]" 1
367 1 21 GLU HB3 1 23 ASN H 0.000 . 3.970 3.322 2.812 4.003 0.033 3 0 "[ . 1 . 2]" 1
368 1 21 GLU QG 1 22 ARG H 0.000 . 5.400 2.564 2.067 3.144 . 0 0 "[ . 1 . 2]" 1
369 1 21 GLU QG 1 23 ASN H 0.000 . 4.170 2.398 1.220 3.339 . 0 0 "[ . 1 . 2]" 1
370 1 21 GLU QG 1 24 CYS H 0.000 . 6.680 4.333 2.497 5.981 . 0 0 "[ . 1 . 2]" 1
371 1 21 GLU HG2 1 22 ARG H 0.000 . 5.800 3.068 2.077 4.787 . 0 0 "[ . 1 . 2]" 1
372 1 21 GLU HG2 1 23 ASN H 0.000 . 4.720 2.940 2.393 3.459 . 0 0 "[ . 1 . 2]" 1
373 1 21 GLU HG3 1 22 ARG H 0.000 . 5.800 3.718 2.894 4.214 . 0 0 "[ . 1 . 2]" 1
374 1 21 GLU HG3 1 23 ASN H 0.000 . 4.720 3.227 1.221 4.403 . 0 0 "[ . 1 . 2]" 1
375 1 22 ARG H 1 22 ARG HB2 0.000 . 3.290 2.149 2.063 2.238 . 0 0 "[ . 1 . 2]" 1
376 1 22 ARG H 1 22 ARG QB 0.000 . 3.060 2.127 2.044 2.211 . 0 0 "[ . 1 . 2]" 1
377 1 22 ARG H 1 22 ARG HB3 0.000 . 3.290 3.381 3.320 3.442 0.152 13 0 "[ . 1 . 2]" 1
378 1 22 ARG H 1 22 ARG HG2 0.000 . 3.850 3.709 3.539 3.875 0.025 5 0 "[ . 1 . 2]" 1
379 1 22 ARG H 1 22 ARG QG 0.000 . 3.580 3.320 3.261 3.352 . 0 0 "[ . 1 . 2]" 1
380 1 22 ARG H 1 22 ARG HG3 0.000 . 3.850 3.757 3.509 3.879 0.029 19 0 "[ . 1 . 2]" 1
381 1 22 ARG H 1 23 ASN H 0.000 . 3.040 2.311 2.065 2.632 . 0 0 "[ . 1 . 2]" 1
382 1 22 ARG HA 1 22 ARG HE 0.000 . 5.800 4.250 2.654 5.170 . 0 0 "[ . 1 . 2]" 1
383 1 22 ARG HA 1 22 ARG HG2 0.000 . 3.970 2.094 2.037 2.173 . 0 0 "[ . 1 . 2]" 1
384 1 22 ARG HA 1 22 ARG QG 0.000 . 3.710 2.075 2.020 2.153 . 0 0 "[ . 1 . 2]" 1
385 1 22 ARG HA 1 22 ARG HG3 0.000 . 3.970 3.388 3.129 3.501 . 0 0 "[ . 1 . 2]" 1
386 1 22 ARG HA 1 23 ASN H 0.000 . 3.350 3.350 3.235 3.407 0.057 19 0 "[ . 1 . 2]" 1
387 1 22 ARG HA 1 24 CYS H 0.000 . 4.370 4.317 3.924 4.402 0.032 4 0 "[ . 1 . 2]" 1
388 1 22 ARG HB2 1 23 ASN H 0.000 . 3.690 3.494 3.317 3.743 0.053 4 0 "[ . 1 . 2]" 1
389 1 22 ARG HB3 1 23 ASN H 0.000 . 4.100 3.751 3.581 3.942 . 0 0 "[ . 1 . 2]" 1
390 1 22 ARG QD 1 23 ASN H 0.000 . 6.680 5.495 5.028 5.875 . 0 0 "[ . 1 . 2]" 1
391 1 22 ARG QG 1 23 ASN H 0.000 . 6.680 4.603 4.532 4.691 . 0 0 "[ . 1 . 2]" 1
392 1 23 ASN H 1 23 ASN HB2 0.000 . 3.260 2.904 2.592 3.186 . 0 0 "[ . 1 . 2]" 1
393 1 23 ASN H 1 23 ASN QB 0.000 . 3.040 2.572 2.437 2.697 . 0 0 "[ . 1 . 2]" 1
394 1 23 ASN H 1 23 ASN HB3 0.000 . 3.260 2.912 2.616 3.157 . 0 0 "[ . 1 . 2]" 1
395 1 23 ASN H 1 24 CYS H 0.000 . 3.570 3.128 2.587 3.577 0.007 10 0 "[ . 1 . 2]" 1
396 1 24 CYS H 1 24 CYS HB2 0.000 . 3.440 2.909 2.474 3.420 . 0 0 "[ . 1 . 2]" 1
397 1 24 CYS H 1 24 CYS QB 0.000 . 3.170 2.556 2.360 2.718 . 0 0 "[ . 1 . 2]" 1
398 1 24 CYS H 1 24 CYS HB3 0.000 . 3.440 2.885 2.556 3.202 . 0 0 "[ . 1 . 2]" 1
399 1 24 CYS HA 1 25 LYS H 0.000 . 3.000 2.223 2.135 2.411 . 0 0 "[ . 1 . 2]" 1
400 1 24 CYS QB 1 38 LYS QZ 0.000 . 7.490 2.231 1.308 3.261 . 0 0 "[ . 1 . 2]" 1
401 1 25 LYS H 1 25 LYS HB2 0.000 . 4.000 2.644 2.067 3.572 . 0 0 "[ . 1 . 2]" 1
402 1 25 LYS H 1 25 LYS QB 0.000 . 3.720 2.487 2.043 2.927 . 0 0 "[ . 1 . 2]" 1
403 1 25 LYS H 1 25 LYS HB3 0.000 . 4.000 3.429 2.850 3.618 . 0 0 "[ . 1 . 2]" 1
404 1 25 LYS H 1 25 LYS QD 0.000 . 5.160 2.937 1.189 4.243 . 0 0 "[ . 1 . 2]" 1
405 1 25 LYS H 1 25 LYS QE 0.000 . 6.680 4.078 2.433 5.606 . 0 0 "[ . 1 . 2]" 1
406 1 25 LYS H 1 25 LYS HG2 0.000 . 5.740 3.389 1.507 4.523 . 0 0 "[ . 1 . 2]" 1
407 1 25 LYS H 1 25 LYS QG 0.000 . 5.110 2.522 1.504 3.617 . 0 0 "[ . 1 . 2]" 1
408 1 25 LYS H 1 25 LYS HG3 0.000 . 5.740 2.841 1.565 3.862 . 0 0 "[ . 1 . 2]" 1
409 1 25 LYS H 1 40 CYS HA 0.000 . 5.340 3.927 3.069 4.647 . 0 0 "[ . 1 . 2]" 1
410 1 25 LYS H 1 40 CYS HB2 0.000 . 4.900 2.560 1.767 4.484 . 0 0 "[ . 1 . 2]" 1
411 1 25 LYS H 1 40 CYS QB 0.000 . 4.420 2.043 1.545 3.673 . 0 0 "[ . 1 . 2]" 1
412 1 25 LYS H 1 40 CYS HB3 0.000 . 4.900 2.199 1.674 3.899 . 0 0 "[ . 1 . 2]" 1
413 1 25 LYS H 1 41 GLU H 0.000 . 3.820 3.462 3.150 3.823 0.003 4 0 "[ . 1 . 2]" 1
414 1 25 LYS H 1 41 GLU QB 0.000 . 6.680 4.158 3.895 4.487 . 0 0 "[ . 1 . 2]" 1
415 1 25 LYS H 1 41 GLU QG 0.000 . 6.680 5.809 4.869 6.010 . 0 0 "[ . 1 . 2]" 1
416 1 25 LYS HA 1 26 PRO HD2 0.000 . 4.000 2.046 1.726 2.243 . 0 0 "[ . 1 . 2]" 1
417 1 25 LYS HA 1 26 PRO HD3 0.000 . 4.000 2.391 2.133 2.753 . 0 0 "[ . 1 . 2]" 1
418 1 25 LYS QB 1 40 CYS QB 0.000 . 7.560 2.888 2.399 3.624 . 0 0 "[ . 1 . 2]" 1
419 1 25 LYS QB 1 41 GLU H 0.000 . 6.430 1.913 1.174 2.597 . 0 0 "[ . 1 . 2]" 1
420 1 25 LYS QD 1 40 CYS HA 0.000 . 6.590 5.126 4.024 5.708 . 0 0 "[ . 1 . 2]" 1
421 1 25 LYS QD 1 42 TYR QE 0.000 . 8.800 6.205 4.536 6.955 . 0 0 "[ . 1 . 2]" 1
422 1 25 LYS O 1 41 GLU H 2.200 . 2.200 2.186 2.142 2.226 0.026 4 0 "[ . 1 . 2]" 1
423 1 25 LYS O 1 41 GLU N 3.200 2.900 3.200 2.950 2.878 3.049 0.022 7 0 "[ . 1 . 2]" 1
424 1 26 PRO HA 1 27 MET H 0.000 . 2.980 2.233 2.164 2.350 . 0 0 "[ . 1 . 2]" 1
425 1 26 PRO HA 1 40 CYS HA 0.000 . 4.000 3.689 3.061 4.003 0.003 17 0 "[ . 1 . 2]" 1
426 1 26 PRO HA 1 41 GLU H 0.000 . 5.640 5.189 4.980 5.333 . 0 0 "[ . 1 . 2]" 1
427 1 26 PRO QB 1 27 MET H 0.000 . 4.320 3.710 3.570 3.848 . 0 0 "[ . 1 . 2]" 1
428 1 27 MET H 1 27 MET HB2 0.000 . 3.540 2.494 2.237 3.355 . 0 0 "[ . 1 . 2]" 1
429 1 27 MET H 1 27 MET QB 0.000 . 3.210 2.283 2.205 2.410 . 0 0 "[ . 1 . 2]" 1
430 1 27 MET H 1 27 MET HB3 0.000 . 3.540 3.037 2.296 3.480 . 0 0 "[ . 1 . 2]" 1
431 1 27 MET H 1 27 MET ME 0.000 . 6.830 5.241 3.916 5.731 . 0 0 "[ . 1 . 2]" 1
432 1 27 MET H 1 28 ALA H 0.000 . 4.870 4.066 3.732 4.550 . 0 0 "[ . 1 . 2]" 1
433 1 27 MET H 1 39 CYS QB 0.000 . 6.680 4.297 3.951 4.518 . 0 0 "[ . 1 . 2]" 1
434 1 27 MET H 1 39 CYS O 2.200 . 2.200 2.200 2.109 2.239 0.039 16 0 "[ . 1 . 2]" 1
435 1 27 MET H 1 40 CYS HA 0.000 . 3.780 2.601 2.218 3.163 . 0 0 "[ . 1 . 2]" 1
436 1 27 MET H 1 41 GLU H 0.000 . 4.280 4.240 4.032 4.303 0.023 7 0 "[ . 1 . 2]" 1
437 1 27 MET HA 1 28 ALA H 0.000 . 2.920 2.245 2.142 2.380 . 0 0 "[ . 1 . 2]" 1
438 1 27 MET HA 1 28 ALA HA 0.000 . 5.800 4.481 4.348 4.597 . 0 0 "[ . 1 . 2]" 1
439 1 27 MET HA 1 28 ALA MB 0.000 . 5.250 4.000 3.920 4.056 . 0 0 "[ . 1 . 2]" 1
440 1 27 MET QB 1 30 THR MG 0.000 . 6.810 2.569 2.034 3.340 . 0 0 "[ . 1 . 2]" 1
441 1 27 MET QB 1 39 CYS QB 0.000 . 7.550 3.406 2.793 4.073 . 0 0 "[ . 1 . 2]" 1
442 1 27 MET QB 1 40 CYS H 0.000 . 6.680 4.015 3.445 4.568 . 0 0 "[ . 1 . 2]" 1
443 1 27 MET QB 1 41 GLU H 0.000 . 6.680 3.118 2.658 3.847 . 0 0 "[ . 1 . 2]" 1
444 1 27 MET HB2 1 28 ALA H 0.000 . 5.800 4.574 4.168 4.667 . 0 0 "[ . 1 . 2]" 1
445 1 27 MET HB3 1 28 ALA H 0.000 . 5.800 4.077 2.945 4.616 . 0 0 "[ . 1 . 2]" 1
446 1 27 MET ME 1 30 THR MG 0.000 . 7.640 4.278 3.464 5.068 . 0 0 "[ . 1 . 2]" 1
447 1 27 MET ME 1 41 GLU HA 0.000 . 4.560 2.676 1.201 3.650 . 0 0 "[ . 1 . 2]" 1
448 1 27 MET ME 1 41 GLU QG 0.000 . 4.860 2.304 1.552 3.405 . 0 0 "[ . 1 . 2]" 1
449 1 27 MET QG 1 28 ALA H 0.000 . 6.680 4.149 3.238 4.765 . 0 0 "[ . 1 . 2]" 1
450 1 27 MET QG 1 30 THR MG 0.000 . 7.360 3.064 1.340 4.391 . 0 0 "[ . 1 . 2]" 1
451 1 27 MET QG 1 40 CYS H 0.000 . 6.680 5.169 4.560 5.736 . 0 0 "[ . 1 . 2]" 1
452 1 27 MET QG 1 40 CYS HA 0.000 . 6.680 3.752 3.089 4.574 . 0 0 "[ . 1 . 2]" 1
453 1 27 MET QG 1 41 GLU H 0.000 . 6.030 3.344 2.317 4.899 . 0 0 "[ . 1 . 2]" 1
454 1 27 MET QG 1 41 GLU HA 0.000 . 5.680 2.430 1.680 4.244 . 0 0 "[ . 1 . 2]" 1
455 1 27 MET N 1 39 CYS O 3.200 2.900 3.200 3.014 2.944 3.122 . 0 0 "[ . 1 . 2]" 1
456 1 28 ALA H 1 29 TRP H 0.000 . 4.470 4.510 4.318 4.576 0.106 1 0 "[ . 1 . 2]" 1
457 1 28 ALA H 1 29 TRP HD1 0.000 . 5.740 5.336 5.001 5.682 . 0 0 "[ . 1 . 2]" 1
458 1 28 ALA HA 1 29 TRP H 0.000 . 3.040 2.643 2.492 2.873 . 0 0 "[ . 1 . 2]" 1
459 1 28 ALA HA 1 29 TRP HA 0.000 . 5.800 4.578 4.487 4.652 . 0 0 "[ . 1 . 2]" 1
460 1 28 ALA HA 1 29 TRP HD1 0.000 . 5.800 5.738 5.621 5.813 0.013 16 0 "[ . 1 . 2]" 1
461 1 28 ALA HA 1 30 THR H 0.000 . 4.800 4.264 3.335 4.407 . 0 0 "[ . 1 . 2]" 1
462 1 28 ALA MB 1 29 TRP HA 0.000 . 5.960 3.919 3.713 4.073 . 0 0 "[ . 1 . 2]" 1
463 1 28 ALA MB 1 29 TRP QB 0.000 . 6.780 3.592 3.440 3.736 . 0 0 "[ . 1 . 2]" 1
464 1 28 ALA MB 1 29 TRP HD1 0.000 . 4.220 3.249 3.134 3.368 . 0 0 "[ . 1 . 2]" 1
465 1 28 ALA MB 1 29 TRP HE1 0.000 . 5.840 3.621 3.104 3.999 . 0 0 "[ . 1 . 2]" 1
466 1 28 ALA MB 1 29 TRP HE3 0.000 . 6.830 4.438 3.923 4.936 . 0 0 "[ . 1 . 2]" 1
467 1 28 ALA MB 1 29 TRP HZ2 0.000 . 6.770 4.597 3.859 5.327 . 0 0 "[ . 1 . 2]" 1
468 1 29 TRP H 1 29 TRP HA 0.000 . 2.920 2.292 2.279 2.350 . 0 0 "[ . 1 . 2]" 1
469 1 29 TRP H 1 29 TRP HB2 0.000 . 3.720 3.514 3.280 3.693 . 0 0 "[ . 1 . 2]" 1
470 1 29 TRP H 1 29 TRP QB 0.000 . 3.540 3.245 3.098 3.314 . 0 0 "[ . 1 . 2]" 1
471 1 29 TRP H 1 29 TRP HB3 0.000 . 3.720 3.827 3.747 3.896 0.176 4 0 "[ . 1 . 2]" 1
472 1 29 TRP H 1 29 TRP HD1 0.000 . 5.800 4.280 3.805 4.461 . 0 0 "[ . 1 . 2]" 1
473 1 29 TRP H 1 29 TRP HE3 0.000 . 4.440 3.282 2.813 3.828 . 0 0 "[ . 1 . 2]" 1
474 1 29 TRP H 1 30 THR H 0.000 . 3.300 3.319 3.156 3.352 0.052 6 0 "[ . 1 . 2]" 1
475 1 29 TRP HA 1 29 TRP HB2 0.000 . 3.130 3.009 2.979 3.022 . 0 0 "[ . 1 . 2]" 1
476 1 29 TRP HA 1 29 TRP HB3 0.000 . 3.130 2.372 2.293 2.457 . 0 0 "[ . 1 . 2]" 1
477 1 29 TRP HA 1 29 TRP HE3 0.000 . 3.940 2.140 2.013 2.335 . 0 0 "[ . 1 . 2]" 1
478 1 29 TRP HA 1 30 THR H 0.000 . 3.800 2.422 2.375 2.799 . 0 0 "[ . 1 . 2]" 1
479 1 29 TRP HB2 1 29 TRP HD1 0.000 . 4.030 2.557 2.552 2.563 . 0 0 "[ . 1 . 2]" 1
480 1 29 TRP HB2 1 30 THR H 0.000 . 4.800 4.404 4.222 4.470 . 0 0 "[ . 1 . 2]" 1
481 1 29 TRP HB3 1 29 TRP HD1 0.000 . 4.030 3.557 3.531 3.615 . 0 0 "[ . 1 . 2]" 1
482 1 29 TRP HB3 1 30 THR H 0.000 . 4.800 4.282 4.222 4.470 . 0 0 "[ . 1 . 2]" 1
483 1 29 TRP HE3 1 30 THR MG 0.000 . 6.830 5.532 5.366 5.592 . 0 0 "[ . 1 . 2]" 1
484 1 30 THR H 1 30 THR HG1 0.000 . 4.800 4.287 2.637 4.711 . 0 0 "[ . 1 . 2]" 1
485 1 30 THR HB 1 31 TYR H 0.000 . 3.970 3.646 2.404 3.928 . 0 0 "[ . 1 . 2]" 1
486 1 30 THR HB 1 39 CYS QB 0.000 . 5.530 4.770 3.015 5.000 . 0 0 "[ . 1 . 2]" 1
487 1 30 THR HG1 1 31 TYR H 0.000 . 3.600 2.320 1.725 3.636 0.036 18 0 "[ . 1 . 2]" 1
488 1 30 THR HG1 1 31 TYR QD 0.000 . 7.940 4.227 2.868 5.879 . 0 0 "[ . 1 . 2]" 1
489 1 30 THR MG 1 31 TYR H 0.000 . 5.460 4.099 3.824 4.245 . 0 0 "[ . 1 . 2]" 1
490 1 30 THR MG 1 31 TYR QB 0.000 . 7.710 5.262 5.006 5.657 . 0 0 "[ . 1 . 2]" 1
491 1 30 THR MG 1 39 CYS HB3 0.000 . 6.830 3.059 2.363 5.475 . 0 0 "[ . 1 . 2]" 1
492 1 31 TYR H 1 31 TYR HB2 0.000 . 4.090 3.792 3.023 3.915 . 0 0 "[ . 1 . 2]" 1
493 1 31 TYR H 1 31 TYR QB 0.000 . 3.820 2.901 2.599 3.154 . 0 0 "[ . 1 . 2]" 1
494 1 31 TYR H 1 31 TYR HB3 0.000 . 4.090 3.016 2.832 3.347 . 0 0 "[ . 1 . 2]" 1
495 1 31 TYR H 1 32 CYS H 0.000 . 4.930 4.414 4.248 4.508 . 0 0 "[ . 1 . 2]" 1
496 1 31 TYR HA 1 31 TYR HB2 0.000 . 3.100 2.399 2.299 2.543 . 0 0 "[ . 1 . 2]" 1
497 1 31 TYR HA 1 31 TYR HB3 0.000 . 3.100 2.550 2.411 3.018 . 0 0 "[ . 1 . 2]" 1
498 1 31 TYR HA 1 32 CYS H 0.000 . 3.070 2.455 2.143 2.863 . 0 0 "[ . 1 . 2]" 1
499 1 31 TYR QD 1 32 CYS H 0.000 . 7.320 3.213 2.065 4.058 . 0 0 "[ . 1 . 2]" 1
500 1 31 TYR QD 1 33 GLU H 0.000 . 7.940 5.246 4.184 6.047 . 0 0 "[ . 1 . 2]" 1
501 1 31 TYR QD 1 33 GLU HA 0.000 . 7.940 4.566 3.817 5.705 . 0 0 "[ . 1 . 2]" 1
502 1 31 TYR QE 1 33 GLU HA 0.000 . 7.680 4.254 3.206 5.582 . 0 0 "[ . 1 . 2]" 1
503 1 31 TYR QE 1 33 GLU QB 0.000 . 8.810 5.711 4.377 6.689 . 0 0 "[ . 1 . 2]" 1
504 1 31 TYR QE 1 33 GLU QG 0.000 . 8.810 5.193 4.084 6.726 . 0 0 "[ . 1 . 2]" 1
505 1 32 CYS H 1 32 CYS HA 0.000 . 3.000 2.936 2.926 2.947 . 0 0 "[ . 1 . 2]" 1
506 1 32 CYS H 1 32 CYS HB3 0.000 . 3.440 3.233 2.567 3.518 0.078 19 0 "[ . 1 . 2]" 1
507 1 32 CYS HA 1 33 GLU H 0.000 . 3.000 2.613 2.506 2.846 . 0 0 "[ . 1 . 2]" 1
508 1 32 CYS QB 1 33 GLU H 0.000 . 3.400 2.310 1.835 2.990 . 0 0 "[ . 1 . 2]" 1
509 1 32 CYS QB 1 34 ASN H 0.000 . 4.390 2.491 2.114 3.792 . 0 0 "[ . 1 . 2]" 1
510 1 32 CYS QB 1 37 GLN H 0.000 . 6.680 3.984 3.434 4.783 . 0 0 "[ . 1 . 2]" 1
511 1 32 CYS QB 1 37 GLN QB 0.000 . 4.630 2.653 2.158 3.261 . 0 0 "[ . 1 . 2]" 1
512 1 32 CYS HB2 1 33 GLU H 0.000 . 3.720 3.602 2.723 3.735 0.015 1 0 "[ . 1 . 2]" 1
513 1 32 CYS HB2 1 37 GLN HB2 0.000 . 6.090 4.817 4.210 5.672 . 0 0 "[ . 1 . 2]" 1
514 1 32 CYS HB2 1 37 GLN HB3 0.000 . 6.090 3.468 2.998 4.103 . 0 0 "[ . 1 . 2]" 1
515 1 32 CYS HB3 1 33 GLU H 0.000 . 3.720 2.397 1.842 3.719 . 0 0 "[ . 1 . 2]" 1
516 1 32 CYS HB3 1 37 GLN HB2 0.000 . 6.090 3.965 3.403 4.736 . 0 0 "[ . 1 . 2]" 1
517 1 32 CYS HB3 1 37 GLN HB3 0.000 . 6.090 2.864 2.251 3.546 . 0 0 "[ . 1 . 2]" 1
518 1 33 GLU H 1 34 ASN H 0.000 . 3.540 2.410 2.129 2.775 . 0 0 "[ . 1 . 2]" 1
519 1 33 GLU QB 1 34 ASN H 0.000 . 4.320 2.943 2.383 3.697 . 0 0 "[ . 1 . 2]" 1
520 1 34 ASN H 1 34 ASN HB2 0.000 . 2.980 2.553 2.310 2.968 . 0 0 "[ . 1 . 2]" 1
521 1 34 ASN H 1 34 ASN QB 0.000 . 2.760 2.369 2.237 2.537 . 0 0 "[ . 1 . 2]" 1
522 1 34 ASN H 1 34 ASN HB3 0.000 . 2.980 2.859 2.605 2.995 0.015 17 0 "[ . 1 . 2]" 1
523 1 34 ASN H 1 34 ASN HD21 0.000 . 5.800 4.392 4.171 4.579 . 0 0 "[ . 1 . 2]" 1
524 1 34 ASN H 1 34 ASN QD 0.000 . 5.610 4.254 4.058 4.411 . 0 0 "[ . 1 . 2]" 1
525 1 34 ASN H 1 34 ASN HD22 0.000 . 5.800 5.694 5.554 5.793 . 0 0 "[ . 1 . 2]" 1
526 1 34 ASN H 1 36 ASN H 0.000 . 5.400 4.470 4.228 4.837 . 0 0 "[ . 1 . 2]" 1
527 1 34 ASN HA 1 35 ARG H 0.000 . 3.000 2.164 2.132 2.273 . 0 0 "[ . 1 . 2]" 1
528 1 34 ASN QB 1 36 ASN H 0.000 . 5.380 2.588 2.357 3.017 . 0 0 "[ . 1 . 2]" 1
529 1 34 ASN QB 1 37 GLN H 0.000 . 4.660 2.479 2.097 2.880 . 0 0 "[ . 1 . 2]" 1
530 1 34 ASN QB 1 37 GLN QG 0.000 . 5.140 3.590 3.233 3.961 . 0 0 "[ . 1 . 2]" 1
531 1 34 ASN HB2 1 35 ARG H 0.000 . 4.500 4.376 4.162 4.525 0.025 17 0 "[ . 1 . 2]" 1
532 1 34 ASN HB2 1 37 GLN HG2 0.000 . 6.740 5.489 4.881 6.038 . 0 0 "[ . 1 . 2]" 1
533 1 34 ASN HB2 1 37 GLN HG3 0.000 . 6.740 4.786 4.125 5.489 . 0 0 "[ . 1 . 2]" 1
534 1 34 ASN HB3 1 35 ARG H 0.000 . 4.000 3.903 3.540 4.008 0.008 19 0 "[ . 1 . 2]" 1
535 1 34 ASN HB3 1 37 GLN HG2 0.000 . 6.740 4.719 4.071 5.155 . 0 0 "[ . 1 . 2]" 1
536 1 34 ASN HB3 1 37 GLN HG3 0.000 . 6.740 3.988 3.603 4.535 . 0 0 "[ . 1 . 2]" 1
537 1 34 ASN QD 1 37 GLN QG 0.000 . 7.540 5.414 4.333 5.950 . 0 0 "[ . 1 . 2]" 1
538 1 35 ARG H 1 35 ARG HB2 0.000 . 3.230 2.085 2.043 2.135 . 0 0 "[ . 1 . 2]" 1
539 1 35 ARG H 1 35 ARG QB 0.000 . 3.030 2.061 2.024 2.107 . 0 0 "[ . 1 . 2]" 1
540 1 35 ARG H 1 35 ARG HB3 0.000 . 3.230 3.221 3.133 3.290 0.060 3 0 "[ . 1 . 2]" 1
541 1 35 ARG H 1 35 ARG HE 0.000 . 5.800 5.207 4.485 5.801 0.001 13 0 "[ . 1 . 2]" 1
542 1 35 ARG H 1 35 ARG HG2 0.000 . 4.280 3.976 3.617 4.312 0.032 3 0 "[ . 1 . 2]" 1
543 1 35 ARG H 1 35 ARG QG 0.000 . 3.920 3.490 3.305 3.586 . 0 0 "[ . 1 . 2]" 1
544 1 35 ARG H 1 35 ARG HG3 0.000 . 4.280 3.931 3.432 4.289 0.009 15 0 "[ . 1 . 2]" 1
545 1 35 ARG H 1 36 ASN H 0.000 . 3.570 2.824 2.547 2.983 . 0 0 "[ . 1 . 2]" 1
546 1 35 ARG H 1 37 GLN H 0.000 . 4.620 4.284 3.992 4.502 . 0 0 "[ . 1 . 2]" 1
547 1 35 ARG HA 1 36 ASN H 0.000 . 3.440 3.112 3.062 3.234 . 0 0 "[ . 1 . 2]" 1
548 1 35 ARG HA 1 37 GLN H 0.000 . 4.160 3.866 3.719 4.036 . 0 0 "[ . 1 . 2]" 1
549 1 35 ARG QB 1 36 ASN H 0.000 . 3.960 3.593 3.438 3.635 . 0 0 "[ . 1 . 2]" 1
550 1 35 ARG HB2 1 36 ASN H 0.000 . 4.190 4.088 3.902 4.178 . 0 0 "[ . 1 . 2]" 1
551 1 35 ARG HB3 1 36 ASN H 0.000 . 4.190 3.984 3.819 4.060 . 0 0 "[ . 1 . 2]" 1
552 1 35 ARG QG 1 36 ASN H 0.000 . 6.680 4.723 4.635 4.899 . 0 0 "[ . 1 . 2]" 1
553 1 36 ASN H 1 36 ASN HB2 0.000 . 3.010 2.903 2.840 3.008 . 0 0 "[ . 1 . 2]" 1
554 1 36 ASN H 1 36 ASN QB 0.000 . 2.770 2.611 2.592 2.637 . 0 0 "[ . 1 . 2]" 1
555 1 36 ASN H 1 36 ASN HB3 0.000 . 3.010 2.966 2.847 3.022 0.012 7 0 "[ . 1 . 2]" 1
556 1 36 ASN H 1 36 ASN HD21 0.000 . 5.800 4.370 4.293 4.594 . 0 0 "[ . 1 . 2]" 1
557 1 36 ASN H 1 36 ASN QD 0.000 . 5.350 4.247 4.179 4.439 . 0 0 "[ . 1 . 2]" 1
558 1 36 ASN H 1 36 ASN HD22 0.000 . 5.800 5.779 5.742 5.879 0.079 16 0 "[ . 1 . 2]" 1
559 1 36 ASN H 1 37 GLN H 0.000 . 2.950 1.792 1.713 1.904 . 0 0 "[ . 1 . 2]" 1
560 1 36 ASN H 1 37 GLN HB2 0.000 . 4.530 3.501 3.400 3.656 . 0 0 "[ . 1 . 2]" 1
561 1 36 ASN H 1 37 GLN QB 0.000 . 4.150 3.394 3.313 3.516 . 0 0 "[ . 1 . 2]" 1
562 1 36 ASN H 1 37 GLN HB3 0.000 . 4.530 4.566 4.544 4.589 0.059 14 0 "[ . 1 . 2]" 1
563 1 36 ASN HA 1 37 GLN H 0.000 . 4.000 3.256 3.146 3.367 . 0 0 "[ . 1 . 2]" 1
564 1 37 GLN H 1 37 GLN HB2 0.000 . 3.230 2.419 2.343 2.509 . 0 0 "[ . 1 . 2]" 1
565 1 37 GLN H 1 37 GLN HB3 0.000 . 3.230 3.061 2.980 3.137 . 0 0 "[ . 1 . 2]" 1
566 1 37 GLN H 1 37 GLN HG2 0.000 . 5.000 4.641 4.548 4.799 . 0 0 "[ . 1 . 2]" 1
567 1 37 GLN H 1 37 GLN HG3 0.000 . 4.250 4.248 4.171 4.279 0.029 12 0 "[ . 1 . 2]" 1
568 1 37 GLN H 1 38 LYS H 0.000 . 4.650 4.515 4.459 4.558 . 0 0 "[ . 1 . 2]" 1
569 1 37 GLN HA 1 37 GLN HG2 0.000 . 3.970 2.627 2.384 3.155 . 0 0 "[ . 1 . 2]" 1
570 1 37 GLN HA 1 37 GLN QG 0.000 . 3.460 2.211 2.023 2.257 . 0 0 "[ . 1 . 2]" 1
571 1 37 GLN HA 1 37 GLN HG3 0.000 . 3.970 2.426 2.047 2.628 . 0 0 "[ . 1 . 2]" 1
572 1 37 GLN HA 1 38 LYS H 0.000 . 3.010 2.253 2.186 2.359 . 0 0 "[ . 1 . 2]" 1
573 1 37 GLN QB 1 38 LYS H 0.000 . 4.350 3.263 2.985 3.442 . 0 0 "[ . 1 . 2]" 1
574 1 37 GLN QG 1 38 LYS H 0.000 . 4.390 2.558 2.208 2.745 . 0 0 "[ . 1 . 2]" 1
575 1 37 GLN HG2 1 38 LYS H 0.000 . 4.560 2.629 2.231 2.886 . 0 0 "[ . 1 . 2]" 1
576 1 37 GLN HG3 1 38 LYS H 0.000 . 4.560 3.640 2.908 4.062 . 0 0 "[ . 1 . 2]" 1
577 1 38 LYS H 1 38 LYS HB2 0.000 . 3.660 2.937 2.675 3.155 . 0 0 "[ . 1 . 2]" 1
578 1 38 LYS H 1 38 LYS QB 0.000 . 3.180 2.817 2.616 2.948 . 0 0 "[ . 1 . 2]" 1
579 1 38 LYS H 1 38 LYS HB3 0.000 . 3.660 3.648 3.537 3.693 0.033 6 0 "[ . 1 . 2]" 1
580 1 38 LYS H 1 38 LYS HD2 0.000 . 5.800 4.287 2.967 4.970 . 0 0 "[ . 1 . 2]" 1
581 1 38 LYS H 1 38 LYS HD3 0.000 . 5.800 4.243 2.601 4.867 . 0 0 "[ . 1 . 2]" 1
582 1 38 LYS H 1 38 LYS HE2 0.000 . 5.800 4.820 4.117 5.571 . 0 0 "[ . 1 . 2]" 1
583 1 38 LYS H 1 38 LYS QE 0.000 . 5.240 4.115 3.622 4.465 . 0 0 "[ . 1 . 2]" 1
584 1 38 LYS H 1 38 LYS HE3 0.000 . 5.800 4.555 3.828 5.156 . 0 0 "[ . 1 . 2]" 1
585 1 38 LYS H 1 38 LYS HG2 0.000 . 3.690 2.875 2.094 3.679 . 0 0 "[ . 1 . 2]" 1
586 1 38 LYS H 1 38 LYS QG 0.000 . 3.330 2.053 1.579 2.339 . 0 0 "[ . 1 . 2]" 1
587 1 38 LYS H 1 38 LYS HG3 0.000 . 3.690 2.170 1.583 2.644 . 0 0 "[ . 1 . 2]" 1
588 1 38 LYS H 1 39 CYS H 0.000 . 4.630 4.547 4.527 4.558 . 0 0 "[ . 1 . 2]" 1
589 1 38 LYS QB 1 38 LYS QE 0.000 . 3.960 2.534 1.878 3.107 . 0 0 "[ . 1 . 2]" 1
590 1 38 LYS QB 1 39 CYS H 0.000 . 2.990 2.646 2.384 2.772 . 0 0 "[ . 1 . 2]" 1
591 1 38 LYS QB 1 40 CYS H 0.000 . 5.210 4.365 4.159 4.622 . 0 0 "[ . 1 . 2]" 1
592 1 38 LYS HB2 1 38 LYS HE2 0.000 . 5.130 3.663 2.685 4.521 . 0 0 "[ . 1 . 2]" 1
593 1 38 LYS HB2 1 38 LYS HE3 0.000 . 5.130 2.989 1.950 4.484 . 0 0 "[ . 1 . 2]" 1
594 1 38 LYS HB2 1 39 CYS H 0.000 . 3.320 3.257 3.087 3.349 0.029 6 0 "[ . 1 . 2]" 1
595 1 38 LYS HB2 1 40 CYS H 0.000 . 5.800 4.567 4.274 4.964 . 0 0 "[ . 1 . 2]" 1
596 1 38 LYS HB3 1 38 LYS HE2 0.000 . 5.130 4.024 3.037 4.617 . 0 0 "[ . 1 . 2]" 1
597 1 38 LYS HB3 1 38 LYS HE3 0.000 . 5.130 3.609 2.600 4.793 . 0 0 "[ . 1 . 2]" 1
598 1 38 LYS HB3 1 39 CYS H 0.000 . 3.320 2.822 2.440 3.116 . 0 0 "[ . 1 . 2]" 1
599 1 38 LYS HB3 1 40 CYS H 0.000 . 5.800 5.589 5.351 5.803 0.003 17 0 "[ . 1 . 2]" 1
600 1 38 LYS QD 1 39 CYS H 0.000 . 5.900 4.785 4.443 5.040 . 0 0 "[ . 1 . 2]" 1
601 1 38 LYS QE 1 38 LYS QG 0.000 . 3.450 2.123 1.917 2.403 . 0 0 "[ . 1 . 2]" 1
602 1 38 LYS HE2 1 38 LYS HG2 0.000 . 3.880 3.284 1.953 3.876 . 0 0 "[ . 1 . 2]" 1
603 1 38 LYS HE2 1 38 LYS HG3 0.000 . 3.880 2.852 2.296 3.570 . 0 0 "[ . 1 . 2]" 1
604 1 38 LYS HE3 1 38 LYS HG2 0.000 . 3.880 3.462 2.728 3.854 . 0 0 "[ . 1 . 2]" 1
605 1 38 LYS HE3 1 38 LYS HG3 0.000 . 3.880 2.811 1.954 3.868 . 0 0 "[ . 1 . 2]" 1
606 1 38 LYS QG 1 39 CYS H 0.000 . 6.090 4.359 4.114 4.461 . 0 0 "[ . 1 . 2]" 1
607 1 39 CYS H 1 39 CYS HB2 0.000 . 3.070 2.982 2.659 3.110 0.040 18 0 "[ . 1 . 2]" 1
608 1 39 CYS H 1 39 CYS HB3 0.000 . 3.070 2.561 2.462 3.086 0.016 8 0 "[ . 1 . 2]" 1
609 1 39 CYS H 1 40 CYS H 0.000 . 4.160 4.158 4.076 4.258 0.098 4 0 "[ . 1 . 2]" 1
610 1 39 CYS HA 1 40 CYS H 0.000 . 3.780 2.137 2.109 2.151 . 0 0 "[ . 1 . 2]" 1
611 1 39 CYS QB 1 40 CYS H 0.000 . 4.230 3.904 3.720 3.941 . 0 0 "[ . 1 . 2]" 1
612 1 39 CYS HB2 1 40 CYS H 0.000 . 4.410 4.396 4.324 4.507 0.097 8 0 "[ . 1 . 2]" 1
613 1 39 CYS HB3 1 40 CYS H 0.000 . 4.410 4.375 3.963 4.449 0.039 18 0 "[ . 1 . 2]" 1
614 1 40 CYS H 1 40 CYS HB2 0.000 . 3.380 3.014 2.272 3.386 0.006 18 0 "[ . 1 . 2]" 1
615 1 40 CYS H 1 40 CYS QB 0.000 . 3.090 2.775 2.226 3.000 . 0 0 "[ . 1 . 2]" 1
616 1 40 CYS H 1 40 CYS HB3 0.000 . 3.380 3.408 3.189 3.536 0.156 6 0 "[ . 1 . 2]" 1
617 1 40 CYS HA 1 41 GLU H 0.000 . 2.820 2.429 2.206 2.593 . 0 0 "[ . 1 . 2]" 1
618 1 40 CYS QB 1 41 GLU H 0.000 . 3.480 2.500 2.080 3.033 . 0 0 "[ . 1 . 2]" 1
619 1 40 CYS QB 1 42 TYR H 0.000 . 4.910 3.165 2.609 3.881 . 0 0 "[ . 1 . 2]" 1
620 1 40 CYS HB2 1 41 GLU H 0.000 . 3.880 3.044 2.261 3.919 0.039 4 0 "[ . 1 . 2]" 1
621 1 40 CYS HB3 1 41 GLU H 0.000 . 3.880 2.946 2.094 3.621 . 0 0 "[ . 1 . 2]" 1
622 1 41 GLU H 1 41 GLU HB2 0.000 . 3.290 2.189 2.055 3.141 . 0 0 "[ . 1 . 2]" 1
623 1 41 GLU H 1 41 GLU QB 0.000 . 3.050 2.065 2.036 2.156 . 0 0 "[ . 1 . 2]" 1
624 1 41 GLU H 1 41 GLU HB3 0.000 . 3.290 3.155 2.092 3.342 0.052 1 0 "[ . 1 . 2]" 1
625 1 41 GLU H 1 41 GLU HG2 0.000 . 4.590 3.689 3.384 4.276 . 0 0 "[ . 1 . 2]" 1
626 1 41 GLU H 1 41 GLU QG 0.000 . 4.050 3.433 3.206 3.656 . 0 0 "[ . 1 . 2]" 1
627 1 41 GLU H 1 41 GLU HG3 0.000 . 4.590 4.188 3.539 4.515 . 0 0 "[ . 1 . 2]" 1
628 1 41 GLU H 1 42 TYR H 0.000 . 3.630 3.133 2.714 3.580 . 0 0 "[ . 1 . 2]" 1
629 1 41 GLU HA 1 41 GLU HG2 0.000 . 4.030 2.545 2.058 3.941 . 0 0 "[ . 1 . 2]" 1
630 1 41 GLU HA 1 41 GLU QG 0.000 . 3.780 2.407 2.032 3.002 . 0 0 "[ . 1 . 2]" 1
631 1 41 GLU HA 1 41 GLU HG3 0.000 . 4.030 3.424 2.611 3.595 . 0 0 "[ . 1 . 2]" 1
632 1 41 GLU HA 1 42 TYR QB 0.000 . 5.320 4.677 4.525 4.798 . 0 0 "[ . 1 . 2]" 1
633 1 41 GLU QB 1 42 TYR QD 0.000 . 7.360 4.789 3.322 5.788 . 0 0 "[ . 1 . 2]" 1
634 1 41 GLU HB2 1 42 TYR H 0.000 . 3.750 3.017 2.686 3.718 . 0 0 "[ . 1 . 2]" 1
635 1 41 GLU HB2 1 42 TYR QD 0.000 . 7.920 6.125 4.402 6.706 . 0 0 "[ . 1 . 2]" 1
636 1 41 GLU HB3 1 42 TYR H 0.000 . 3.750 2.277 1.521 2.773 . 0 0 "[ . 1 . 2]" 1
637 1 41 GLU HB3 1 42 TYR QD 0.000 . 7.920 5.019 3.437 6.397 . 0 0 "[ . 1 . 2]" 1
638 1 41 GLU QG 1 42 TYR H 0.000 . 6.460 3.903 1.745 4.438 . 0 0 "[ . 1 . 2]" 1
639 1 42 TYR H 1 42 TYR HB2 0.000 . 3.690 3.433 2.916 3.752 0.062 2 0 "[ . 1 . 2]" 1
640 1 42 TYR H 1 42 TYR QB 0.000 . 3.450 2.560 2.432 2.671 . 0 0 "[ . 1 . 2]" 1
641 1 42 TYR H 1 42 TYR HB3 0.000 . 3.690 2.663 2.529 3.102 . 0 0 "[ . 1 . 2]" 1
642 1 42 TYR HA 1 42 TYR HB2 0.000 . 2.950 2.350 2.245 2.671 . 0 0 "[ . 1 . 2]" 1
643 1 42 TYR HA 1 42 TYR HB3 0.000 . 2.950 2.968 2.744 3.018 0.068 18 0 "[ . 1 . 2]" 1
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