NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423973 |
2flg   |
7010 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2flg
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 793
_Distance_constraint_stats_list.Viol_count 993
_Distance_constraint_stats_list.Viol_total 630.319
_Distance_constraint_stats_list.Viol_max 0.239
_Distance_constraint_stats_list.Viol_rms 0.0126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0317
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ILE 0.011 0.007 14 0 "[ . 1 . 2]"
1 3 SER 0.011 0.007 14 0 "[ . 1 . 2]"
1 4 GLN 0.177 0.049 13 0 "[ . 1 . 2]"
1 5 HIS 0.547 0.049 13 0 "[ . 1 . 2]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 CYS 1.194 0.051 18 0 "[ . 1 . 2]"
1 8 VAL 0.560 0.105 17 0 "[ . 1 . 2]"
1 9 LYS 1.515 0.180 17 0 "[ . 1 . 2]"
1 10 LYS 0.778 0.121 18 0 "[ . 1 . 2]"
1 11 GLN 0.325 0.108 15 0 "[ . 1 . 2]"
1 12 CYS 1.290 0.108 15 0 "[ . 1 . 2]"
1 13 PRO 3.622 0.239 16 0 "[ . 1 . 2]"
1 14 GLN 1.903 0.162 16 0 "[ . 1 . 2]"
1 15 ASN 4.376 0.162 16 0 "[ . 1 . 2]"
1 16 SER 0.966 0.064 12 0 "[ . 1 . 2]"
1 17 GLY 1.220 0.075 10 0 "[ . 1 . 2]"
1 18 CYS 7.021 0.239 16 0 "[ . 1 . 2]"
1 19 PHE 1.711 0.061 16 0 "[ . 1 . 2]"
1 20 ARG 1.376 0.054 16 0 "[ . 1 . 2]"
1 21 HIS 0.062 0.012 11 0 "[ . 1 . 2]"
1 22 LEU 0.234 0.027 15 0 "[ . 1 . 2]"
1 23 ASP 0.274 0.096 12 0 "[ . 1 . 2]"
1 24 GLU 0.452 0.096 12 0 "[ . 1 . 2]"
1 25 ARG 0.639 0.054 16 0 "[ . 1 . 2]"
1 26 GLU 0.701 0.061 16 0 "[ . 1 . 2]"
1 27 GLU 0.223 0.033 16 0 "[ . 1 . 2]"
1 28 CYS 4.070 0.130 11 0 "[ . 1 . 2]"
1 29 LYS 0.877 0.103 16 0 "[ . 1 . 2]"
1 30 CYS 3.920 0.156 9 0 "[ . 1 . 2]"
1 31 LEU 0.799 0.042 16 0 "[ . 1 . 2]"
1 32 LEU 1.071 0.117 12 0 "[ . 1 . 2]"
1 33 ASN 2.274 0.126 19 0 "[ . 1 . 2]"
1 34 TYR 8.861 0.156 9 0 "[ . 1 . 2]"
1 35 LYS 0.519 0.087 10 0 "[ . 1 . 2]"
1 36 GLN 0.630 0.087 10 0 "[ . 1 . 2]"
1 37 GLU 0.405 0.034 20 0 "[ . 1 . 2]"
1 38 GLY 0.132 0.036 20 0 "[ . 1 . 2]"
1 39 ASP 0.223 0.082 19 0 "[ . 1 . 2]"
1 40 LYS 0.602 0.087 19 0 "[ . 1 . 2]"
1 41 CYS 1.204 0.084 20 0 "[ . 1 . 2]"
1 42 VAL 0.855 0.069 19 0 "[ . 1 . 2]"
1 43 GLU 1.059 0.084 20 0 "[ . 1 . 2]"
1 44 ASN 1.281 0.071 15 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ILE H 1 2 ILE HB . . 3.970 3.223 2.449 3.918 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE HA 1 3 SER H . . 3.130 2.464 2.140 3.105 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE HA 1 3 SER QB . . 4.920 4.315 3.922 4.927 0.007 14 0 "[ . 1 . 2]" 1
4 1 2 ILE MD 1 3 SER H . . 4.230 3.468 2.041 4.234 0.004 12 0 "[ . 1 . 2]" 1
5 1 3 SER H 1 3 SER QB . . 3.470 2.624 2.174 3.386 . 0 0 "[ . 1 . 2]" 1
6 1 3 SER QB 1 4 GLN H . . 4.450 3.566 2.015 4.018 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLN H 1 4 GLN QB . . 3.120 2.611 2.256 3.160 0.040 12 0 "[ . 1 . 2]" 1
8 1 4 GLN H 1 4 GLN QG . . 4.130 3.098 2.029 4.112 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLN HA 1 4 GLN QG . . 3.590 2.736 2.175 3.431 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLN HA 1 5 HIS H . . 3.270 2.374 2.139 3.319 0.049 13 0 "[ . 1 . 2]" 1
11 1 4 GLN HA 1 5 HIS HD2 . . 5.440 4.499 3.251 5.424 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLN QB 1 5 HIS HD2 . . 4.760 3.840 2.818 4.777 0.017 13 0 "[ . 1 . 2]" 1
13 1 4 GLN HB2 1 5 HIS HD2 . . 5.500 4.771 3.225 5.517 0.017 12 0 "[ . 1 . 2]" 1
14 1 4 GLN HB3 1 5 HIS HD2 . . 5.500 4.401 2.946 5.482 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLN QG 1 5 HIS H . . 4.350 3.517 2.546 4.397 0.047 7 0 "[ . 1 . 2]" 1
16 1 4 GLN QG 1 5 HIS HD2 . . 5.420 4.060 2.329 5.426 0.006 7 0 "[ . 1 . 2]" 1
17 1 5 HIS H 1 5 HIS QB . . 3.650 2.741 2.441 3.422 . 0 0 "[ . 1 . 2]" 1
18 1 5 HIS H 1 5 HIS HD2 . . 5.020 2.830 2.246 3.393 . 0 0 "[ . 1 . 2]" 1
19 1 5 HIS H 1 6 GLN H . . 4.860 4.475 3.325 4.648 . 0 0 "[ . 1 . 2]" 1
20 1 5 HIS HA 1 5 HIS HD2 . . 4.570 4.041 3.916 4.155 . 0 0 "[ . 1 . 2]" 1
21 1 5 HIS HA 1 6 GLN HA . . 4.980 4.546 4.492 4.623 . 0 0 "[ . 1 . 2]" 1
22 1 5 HIS QB 1 5 HIS HD2 . . 3.540 3.205 3.115 3.293 . 0 0 "[ . 1 . 2]" 1
23 1 5 HIS QB 1 6 GLN H . . 4.290 2.467 2.183 4.012 . 0 0 "[ . 1 . 2]" 1
24 1 5 HIS QB 1 19 PHE QD . . 5.230 5.201 4.966 5.249 0.019 12 0 "[ . 1 . 2]" 1
25 1 5 HIS QB 1 20 ARG H . . 4.520 3.661 3.412 4.143 . 0 0 "[ . 1 . 2]" 1
26 1 5 HIS QB 1 20 ARG HB3 . . 4.300 3.079 2.458 3.812 . 0 0 "[ . 1 . 2]" 1
27 1 5 HIS HD2 1 6 GLN HA . . 5.500 3.820 3.522 4.392 . 0 0 "[ . 1 . 2]" 1
28 1 5 HIS HD2 1 19 PHE HA . . 5.440 4.249 3.773 5.221 . 0 0 "[ . 1 . 2]" 1
29 1 5 HIS HD2 1 19 PHE QD . . 4.610 3.108 2.845 3.795 . 0 0 "[ . 1 . 2]" 1
30 1 5 HIS HD2 1 22 LEU QD . . 5.340 5.243 5.032 5.349 0.009 13 0 "[ . 1 . 2]" 1
31 1 5 HIS HE1 1 19 PHE QB . . 5.500 5.388 4.598 5.517 0.017 10 0 "[ . 1 . 2]" 1
32 1 5 HIS HE1 1 19 PHE QD . . 4.560 3.991 3.131 4.190 . 0 0 "[ . 1 . 2]" 1
33 1 5 HIS HE1 1 19 PHE QE . . 4.850 4.501 3.857 4.794 . 0 0 "[ . 1 . 2]" 1
34 1 5 HIS HE1 1 21 HIS HA . . 4.860 3.223 2.393 3.849 . 0 0 "[ . 1 . 2]" 1
35 1 5 HIS HE1 1 21 HIS QB . . 5.500 5.011 4.465 5.482 . 0 0 "[ . 1 . 2]" 1
36 1 5 HIS HE1 1 22 LEU HA . . 5.500 4.127 3.833 4.587 . 0 0 "[ . 1 . 2]" 1
37 1 5 HIS HE1 1 22 LEU HB2 . . 5.500 5.233 4.329 5.507 0.007 8 0 "[ . 1 . 2]" 1
38 1 5 HIS HE1 1 22 LEU HB3 . . 5.500 5.405 5.189 5.515 0.015 10 0 "[ . 1 . 2]" 1
39 1 5 HIS HE1 1 22 LEU MD1 . . 4.970 3.842 2.659 4.560 . 0 0 "[ . 1 . 2]" 1
40 1 5 HIS HE1 1 22 LEU QD . . 3.870 2.001 1.890 2.318 . 0 0 "[ . 1 . 2]" 1
41 1 5 HIS HE1 1 22 LEU MD2 . . 4.970 2.015 1.906 2.324 . 0 0 "[ . 1 . 2]" 1
42 1 5 HIS HE1 1 22 LEU HG . . 4.570 3.936 3.087 4.597 0.027 15 0 "[ . 1 . 2]" 1
43 1 6 GLN H 1 6 GLN HB2 . . 4.140 3.156 2.354 3.940 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLN H 1 6 GLN QB . . 3.450 2.870 2.324 3.283 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLN H 1 6 GLN HB3 . . 4.140 3.533 3.240 3.928 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLN H 1 6 GLN QG . . 4.380 3.379 2.298 4.262 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLN H 1 7 CYS H . . 4.930 4.381 4.333 4.545 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLN HA 1 6 GLN QE . . 5.260 4.304 2.789 5.021 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLN HA 1 6 GLN QG . . 3.380 2.543 2.088 3.339 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLN HA 1 7 CYS H . . 2.990 2.618 2.519 2.707 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLN QB 1 7 CYS H . . 3.370 2.210 1.932 2.868 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLN HB2 1 7 CYS H . . 3.850 3.151 1.948 3.845 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLN HB3 1 7 CYS H . . 3.850 2.618 1.947 3.508 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLN QE 1 7 CYS H . . 5.340 4.070 2.630 5.222 . 0 0 "[ . 1 . 2]" 1
55 1 6 GLN QG 1 7 CYS H . . 4.120 2.962 1.918 3.938 . 0 0 "[ . 1 . 2]" 1
56 1 7 CYS H 1 7 CYS HB2 . . 3.310 2.663 2.636 2.720 . 0 0 "[ . 1 . 2]" 1
57 1 7 CYS H 1 7 CYS HB3 . . 4.000 3.634 3.596 3.686 . 0 0 "[ . 1 . 2]" 1
58 1 7 CYS H 1 8 VAL H . . 4.640 4.548 4.460 4.612 . 0 0 "[ . 1 . 2]" 1
59 1 7 CYS H 1 20 ARG HB2 . . 5.500 4.586 4.270 4.989 . 0 0 "[ . 1 . 2]" 1
60 1 7 CYS HA 1 8 VAL H . . 3.210 2.188 2.147 2.242 . 0 0 "[ . 1 . 2]" 1
61 1 7 CYS HA 1 9 LYS H . . 3.870 3.666 3.458 3.871 0.001 12 0 "[ . 1 . 2]" 1
62 1 7 CYS HA 1 20 ARG HB2 . . 3.870 2.859 2.424 3.459 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS HA 1 20 ARG HE . . 5.500 5.523 5.514 5.535 0.035 20 0 "[ . 1 . 2]" 1
64 1 7 CYS HA 1 26 GLU QG . . 5.160 2.945 2.511 3.368 . 0 0 "[ . 1 . 2]" 1
65 1 7 CYS HB2 1 8 VAL H . . 4.060 3.938 3.747 4.084 0.024 20 0 "[ . 1 . 2]" 1
66 1 7 CYS HB2 1 9 LYS H . . 4.510 4.516 4.340 4.561 0.051 18 0 "[ . 1 . 2]" 1
67 1 7 CYS HB2 1 10 LYS H . . 4.000 3.825 3.546 4.027 0.027 13 0 "[ . 1 . 2]" 1
68 1 7 CYS HB2 1 10 LYS QG . . 4.660 4.627 4.521 4.680 0.020 17 0 "[ . 1 . 2]" 1
69 1 7 CYS HB3 1 8 VAL H . . 3.450 3.134 2.921 3.356 . 0 0 "[ . 1 . 2]" 1
70 1 7 CYS HB3 1 8 VAL QG . . 4.620 4.513 4.226 4.663 0.043 6 0 "[ . 1 . 2]" 1
71 1 7 CYS HB3 1 9 LYS H . . 3.780 3.430 3.238 3.571 . 0 0 "[ . 1 . 2]" 1
72 1 7 CYS HB3 1 10 LYS H . . 3.940 3.056 2.659 3.416 . 0 0 "[ . 1 . 2]" 1
73 1 7 CYS HB3 1 10 LYS QB . . 4.260 2.028 1.933 2.177 . 0 0 "[ . 1 . 2]" 1
74 1 7 CYS HB3 1 26 GLU QB . . 4.740 3.556 3.324 3.771 . 0 0 "[ . 1 . 2]" 1
75 1 7 CYS HB3 1 26 GLU QG . . 4.200 3.194 2.716 3.975 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL H 1 8 VAL HB . . 3.770 3.297 2.719 3.769 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL H 1 8 VAL QG . . 3.120 2.145 1.891 2.525 . 0 0 "[ . 1 . 2]" 1
78 1 8 VAL H 1 9 LYS H . . 3.200 1.892 1.848 1.964 . 0 0 "[ . 1 . 2]" 1
79 1 8 VAL H 1 9 LYS QB . . 4.560 4.189 3.868 4.421 . 0 0 "[ . 1 . 2]" 1
80 1 8 VAL H 1 10 LYS H . . 4.120 3.711 3.354 4.127 0.007 7 0 "[ . 1 . 2]" 1
81 1 8 VAL H 1 10 LYS QB . . 5.020 4.057 3.838 4.226 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL HA 1 8 VAL QG . . 2.850 2.168 2.057 2.292 . 0 0 "[ . 1 . 2]" 1
83 1 8 VAL HA 1 9 LYS QE . . 4.660 4.538 4.040 4.765 0.105 17 0 "[ . 1 . 2]" 1
84 1 8 VAL HB 1 9 LYS H . . 4.380 3.751 2.918 4.197 . 0 0 "[ . 1 . 2]" 1
85 1 8 VAL QG 1 9 LYS H . . 3.470 2.713 2.052 3.467 . 0 0 "[ . 1 . 2]" 1
86 1 8 VAL QG 1 9 LYS QE . . 4.510 2.754 1.723 4.399 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL QG 1 9 LYS QG . . 3.500 2.472 1.894 3.427 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL QG 1 10 LYS H . . 4.640 4.436 3.924 4.708 0.068 6 0 "[ . 1 . 2]" 1
89 1 9 LYS H 1 9 LYS QB . . 3.120 2.739 2.351 3.197 0.077 17 0 "[ . 1 . 2]" 1
90 1 9 LYS H 1 9 LYS QD . . 5.160 4.024 2.344 4.899 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS H 1 9 LYS HG2 . . 4.450 3.540 2.175 4.511 0.061 18 0 "[ . 1 . 2]" 1
92 1 9 LYS H 1 9 LYS QG . . 3.850 3.151 2.158 4.010 0.160 18 0 "[ . 1 . 2]" 1
93 1 9 LYS H 1 9 LYS HG3 . . 4.450 4.010 3.236 4.490 0.040 18 0 "[ . 1 . 2]" 1
94 1 9 LYS H 1 10 LYS H . . 3.170 2.445 1.900 2.902 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS H 1 10 LYS HA . . 4.760 4.613 4.384 4.769 0.009 2 0 "[ . 1 . 2]" 1
96 1 9 LYS H 1 10 LYS QG . . 5.500 5.443 5.285 5.621 0.121 18 0 "[ . 1 . 2]" 1
97 1 9 LYS HA 1 9 LYS QD . . 4.070 2.994 1.981 4.250 0.180 17 0 "[ . 1 . 2]" 1
98 1 9 LYS HA 1 9 LYS HG2 . . 3.890 3.037 2.623 3.610 . 0 0 "[ . 1 . 2]" 1
99 1 9 LYS HA 1 9 LYS QG . . 3.340 2.690 2.415 3.341 0.001 17 0 "[ . 1 . 2]" 1
100 1 9 LYS HA 1 9 LYS HG3 . . 3.890 3.421 2.454 3.986 0.096 17 0 "[ . 1 . 2]" 1
101 1 9 LYS HA 1 10 LYS HA . . 4.900 4.409 4.356 4.516 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS QB 1 9 LYS QE . . 4.300 3.369 2.787 3.816 . 0 0 "[ . 1 . 2]" 1
103 1 9 LYS QB 1 10 LYS H . . 3.890 3.828 3.663 3.973 0.083 17 0 "[ . 1 . 2]" 1
104 1 10 LYS H 1 10 LYS QB . . 2.850 2.610 2.457 2.713 . 0 0 "[ . 1 . 2]" 1
105 1 10 LYS H 1 10 LYS QG . . 4.800 4.222 4.075 4.346 . 0 0 "[ . 1 . 2]" 1
106 1 10 LYS HA 1 10 LYS HD2 . . 3.550 2.774 1.989 3.556 0.006 4 0 "[ . 1 . 2]" 1
107 1 10 LYS HA 1 10 LYS QD . . 3.010 2.058 1.960 2.274 . 0 0 "[ . 1 . 2]" 1
108 1 10 LYS HA 1 10 LYS HD3 . . 3.550 2.475 1.970 3.583 0.033 17 0 "[ . 1 . 2]" 1
109 1 10 LYS HA 1 10 LYS QE . . 4.260 3.625 2.547 4.191 . 0 0 "[ . 1 . 2]" 1
110 1 10 LYS HA 1 10 LYS QG . . 3.350 2.795 2.575 3.057 . 0 0 "[ . 1 . 2]" 1
111 1 10 LYS HA 1 11 GLN H . . 2.700 2.244 2.154 2.366 . 0 0 "[ . 1 . 2]" 1
112 1 10 LYS HA 1 11 GLN HA . . 5.190 4.350 4.338 4.365 . 0 0 "[ . 1 . 2]" 1
113 1 10 LYS HA 1 11 GLN QB . . 5.340 4.336 4.215 4.545 . 0 0 "[ . 1 . 2]" 1
114 1 10 LYS HA 1 11 GLN QG . . 4.750 3.962 3.533 4.279 . 0 0 "[ . 1 . 2]" 1
115 1 10 LYS QB 1 10 LYS QE . . 3.760 2.992 1.949 3.755 . 0 0 "[ . 1 . 2]" 1
116 1 10 LYS QB 1 11 GLN H . . 3.800 3.482 3.236 3.750 . 0 0 "[ . 1 . 2]" 1
117 1 10 LYS QD 1 11 GLN H . . 3.420 2.727 1.992 3.192 . 0 0 "[ . 1 . 2]" 1
118 1 10 LYS HD2 1 11 GLN H . . 4.110 3.038 2.004 4.122 0.012 18 0 "[ . 1 . 2]" 1
119 1 10 LYS HD3 1 11 GLN H . . 4.110 3.506 2.137 4.118 0.008 3 0 "[ . 1 . 2]" 1
120 1 10 LYS QE 1 10 LYS QG . . 3.480 2.186 1.978 2.532 . 0 0 "[ . 1 . 2]" 1
121 1 10 LYS QE 1 11 GLN H . . 4.820 4.063 2.161 4.806 . 0 0 "[ . 1 . 2]" 1
122 1 10 LYS QG 1 11 GLN H . . 3.670 2.461 1.941 3.064 . 0 0 "[ . 1 . 2]" 1
123 1 10 LYS QG 1 11 GLN HA . . 4.760 4.329 3.829 4.653 . 0 0 "[ . 1 . 2]" 1
124 1 10 LYS QG 1 12 CYS H . . 5.120 3.767 3.062 4.932 . 0 0 "[ . 1 . 2]" 1
125 1 10 LYS QG 1 12 CYS HA . . 5.320 4.357 4.152 4.786 . 0 0 "[ . 1 . 2]" 1
126 1 10 LYS QG 1 27 GLU H . . 5.500 5.232 4.746 5.511 0.011 18 0 "[ . 1 . 2]" 1
127 1 11 GLN H 1 11 GLN HB2 . . 3.660 2.403 2.200 3.625 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLN H 1 11 GLN HB3 . . 3.660 3.541 3.008 3.648 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLN H 1 11 GLN QG . . 3.620 2.707 2.031 3.165 . 0 0 "[ . 1 . 2]" 1
130 1 11 GLN HA 1 11 GLN QE . . 5.340 4.201 2.632 4.828 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLN HA 1 11 GLN QG . . 3.380 2.454 2.130 3.324 . 0 0 "[ . 1 . 2]" 1
132 1 11 GLN HA 1 12 CYS HA . . 5.480 4.974 4.398 5.363 . 0 0 "[ . 1 . 2]" 1
133 1 11 GLN QB 1 12 CYS H . . 3.240 2.529 1.927 3.279 0.039 1 0 "[ . 1 . 2]" 1
134 1 11 GLN QB 1 12 CYS HA . . 4.080 3.983 3.882 4.188 0.108 15 0 "[ . 1 . 2]" 1
135 1 11 GLN QG 1 12 CYS H . . 4.460 4.009 3.649 4.462 0.002 1 0 "[ . 1 . 2]" 1
136 1 12 CYS H 1 12 CYS HB2 . . 3.950 3.343 2.798 3.694 . 0 0 "[ . 1 . 2]" 1
137 1 12 CYS H 1 13 PRO HD3 . . 5.210 4.596 4.379 4.932 . 0 0 "[ . 1 . 2]" 1
138 1 12 CYS HA 1 13 PRO HA . . 4.750 4.388 4.388 4.389 . 0 0 "[ . 1 . 2]" 1
139 1 12 CYS HA 1 13 PRO HD2 . . 3.060 2.419 2.413 2.431 . 0 0 "[ . 1 . 2]" 1
140 1 12 CYS HA 1 13 PRO HD3 . . 2.870 2.306 2.303 2.311 . 0 0 "[ . 1 . 2]" 1
141 1 12 CYS HA 1 13 PRO HG2 . . 4.580 4.527 4.522 4.537 . 0 0 "[ . 1 . 2]" 1
142 1 12 CYS HA 1 16 SER HB2 . . 5.300 5.230 5.096 5.303 0.003 3 0 "[ . 1 . 2]" 1
143 1 12 CYS HA 1 18 CYS HB3 . . 4.940 4.733 4.668 4.877 . 0 0 "[ . 1 . 2]" 1
144 1 12 CYS HA 1 28 CYS HA . . 5.500 5.372 5.271 5.502 0.002 15 0 "[ . 1 . 2]" 1
145 1 12 CYS HA 1 28 CYS HB2 . . 4.590 3.963 3.766 4.298 . 0 0 "[ . 1 . 2]" 1
146 1 12 CYS HA 1 28 CYS HB3 . . 5.120 3.243 3.073 3.502 . 0 0 "[ . 1 . 2]" 1
147 1 12 CYS HB2 1 13 PRO HD2 . . 3.460 3.433 3.384 3.482 0.022 15 0 "[ . 1 . 2]" 1
148 1 12 CYS HB2 1 16 SER HB2 . . 4.790 4.836 4.820 4.854 0.064 12 0 "[ . 1 . 2]" 1
149 1 12 CYS HB2 1 18 CYS H . . 4.390 4.279 4.202 4.337 . 0 0 "[ . 1 . 2]" 1
150 1 12 CYS HB2 1 18 CYS HB3 . . 4.360 2.956 2.799 3.115 . 0 0 "[ . 1 . 2]" 1
151 1 12 CYS HB2 1 28 CYS HA . . 5.500 4.850 4.776 4.934 . 0 0 "[ . 1 . 2]" 1
152 1 12 CYS HB3 1 13 PRO HD3 . . 3.470 3.366 3.353 3.380 . 0 0 "[ . 1 . 2]" 1
153 1 12 CYS HB3 1 13 PRO HG2 . . 4.030 3.808 3.758 3.842 . 0 0 "[ . 1 . 2]" 1
154 1 12 CYS HB3 1 13 PRO HG3 . . 4.890 4.609 4.586 4.623 . 0 0 "[ . 1 . 2]" 1
155 1 12 CYS HB3 1 16 SER HB2 . . 3.650 3.565 3.408 3.659 0.009 2 0 "[ . 1 . 2]" 1
156 1 12 CYS HB3 1 18 CYS H . . 4.630 3.860 3.832 3.887 . 0 0 "[ . 1 . 2]" 1
157 1 12 CYS HB3 1 18 CYS HA . . 5.180 4.812 4.744 4.889 . 0 0 "[ . 1 . 2]" 1
158 1 12 CYS HB3 1 18 CYS HB3 . . 3.800 2.542 2.439 2.741 . 0 0 "[ . 1 . 2]" 1
159 1 12 CYS HB3 1 28 CYS HA . . 4.650 3.651 3.572 3.748 . 0 0 "[ . 1 . 2]" 1
160 1 12 CYS HB3 1 28 CYS HB2 . . 4.070 3.720 3.604 3.896 . 0 0 "[ . 1 . 2]" 1
161 1 12 CYS HB3 1 28 CYS HB3 . . 4.290 2.124 2.000 2.308 . 0 0 "[ . 1 . 2]" 1
162 1 13 PRO HA 1 14 GLN H . . 3.110 2.433 2.344 2.578 . 0 0 "[ . 1 . 2]" 1
163 1 13 PRO HA 1 14 GLN HA . . 4.800 4.357 4.342 4.387 . 0 0 "[ . 1 . 2]" 1
164 1 13 PRO QB 1 14 GLN H . . 3.260 2.471 2.168 2.669 . 0 0 "[ . 1 . 2]" 1
165 1 13 PRO QB 1 15 ASN H . . 4.740 2.085 2.073 2.120 . 0 0 "[ . 1 . 2]" 1
166 1 13 PRO QB 1 16 SER H . . 4.840 3.548 3.240 3.686 . 0 0 "[ . 1 . 2]" 1
167 1 13 PRO QB 1 16 SER HB2 . . 4.620 3.913 3.842 4.011 . 0 0 "[ . 1 . 2]" 1
168 1 13 PRO HB2 1 14 GLN H . . 3.940 2.536 2.200 2.762 . 0 0 "[ . 1 . 2]" 1
169 1 13 PRO HB2 1 16 SER H . . 5.500 3.610 3.289 3.754 . 0 0 "[ . 1 . 2]" 1
170 1 13 PRO HB3 1 14 GLN H . . 3.940 3.417 3.261 3.532 . 0 0 "[ . 1 . 2]" 1
171 1 13 PRO HB3 1 16 SER H . . 5.500 5.220 4.877 5.373 . 0 0 "[ . 1 . 2]" 1
172 1 13 PRO HD2 1 18 CYS H . . 4.750 4.928 4.898 4.989 0.239 16 0 "[ . 1 . 2]" 1
173 1 13 PRO HD2 1 18 CYS HB3 . . 4.720 4.119 4.005 4.338 . 0 0 "[ . 1 . 2]" 1
174 1 13 PRO HD2 1 28 CYS HA . . 4.930 4.374 4.312 4.496 . 0 0 "[ . 1 . 2]" 1
175 1 13 PRO HD2 1 28 CYS HB2 . . 3.860 3.441 3.318 3.644 . 0 0 "[ . 1 . 2]" 1
176 1 13 PRO HD2 1 28 CYS HB3 . . 4.890 2.205 2.119 2.350 . 0 0 "[ . 1 . 2]" 1
177 1 13 PRO HD3 1 28 CYS HB2 . . 4.590 4.004 3.871 4.209 . 0 0 "[ . 1 . 2]" 1
178 1 13 PRO HD3 1 28 CYS HB3 . . 5.190 3.457 3.389 3.571 . 0 0 "[ . 1 . 2]" 1
179 1 13 PRO HG2 1 16 SER HA . . 5.500 4.339 4.280 4.369 . 0 0 "[ . 1 . 2]" 1
180 1 13 PRO HG2 1 16 SER HB2 . . 3.940 2.024 1.999 2.058 . 0 0 "[ . 1 . 2]" 1
181 1 14 GLN H 1 14 GLN QG . . 3.900 2.790 1.941 3.900 0.000 4 0 "[ . 1 . 2]" 1
182 1 14 GLN H 1 15 ASN H . . 4.690 2.350 2.208 2.434 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLN H 1 15 ASN HB2 . . 5.470 4.287 4.113 4.445 . 0 0 "[ . 1 . 2]" 1
184 1 14 GLN H 1 16 SER H . . 5.480 4.249 3.993 4.387 . 0 0 "[ . 1 . 2]" 1
185 1 14 GLN HA 1 14 GLN QE . . 5.300 4.260 2.296 5.140 . 0 0 "[ . 1 . 2]" 1
186 1 14 GLN HA 1 14 GLN QG . . 3.460 2.845 2.210 3.421 . 0 0 "[ . 1 . 2]" 1
187 1 14 GLN HA 1 15 ASN H . . 3.180 3.275 3.259 3.342 0.162 16 0 "[ . 1 . 2]" 1
188 1 14 GLN HA 1 16 SER H . . 3.960 3.523 3.475 3.592 . 0 0 "[ . 1 . 2]" 1
189 1 14 GLN QB 1 14 GLN QE . . 3.920 2.781 1.952 3.636 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLN QB 1 16 SER H . . 5.340 4.749 4.581 4.854 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLN HB2 1 14 GLN HE22 . . 5.500 4.333 3.505 5.332 . 0 0 "[ . 1 . 2]" 1
192 1 14 GLN HB3 1 14 GLN HE22 . . 5.500 4.258 3.305 5.243 . 0 0 "[ . 1 . 2]" 1
193 1 14 GLN QE 1 15 ASN H . . 5.340 4.922 3.963 5.281 . 0 0 "[ . 1 . 2]" 1
194 1 15 ASN H 1 15 ASN HB3 . . 4.190 3.656 3.627 3.686 . 0 0 "[ . 1 . 2]" 1
195 1 15 ASN H 1 15 ASN HD21 . . 5.500 4.999 4.851 5.141 . 0 0 "[ . 1 . 2]" 1
196 1 15 ASN H 1 16 SER H . . 3.310 2.420 2.251 2.519 . 0 0 "[ . 1 . 2]" 1
197 1 15 ASN H 1 31 LEU MD1 . . 5.200 5.204 5.121 5.222 0.022 20 0 "[ . 1 . 2]" 1
198 1 15 ASN HA 1 15 ASN HD21 . . 4.360 3.397 2.869 3.964 . 0 0 "[ . 1 . 2]" 1
199 1 15 ASN HA 1 15 ASN HD22 . . 5.010 4.047 3.755 4.317 . 0 0 "[ . 1 . 2]" 1
200 1 15 ASN HA 1 16 SER H . . 3.430 3.094 3.018 3.256 . 0 0 "[ . 1 . 2]" 1
201 1 15 ASN HA 1 16 SER HA . . 4.980 4.442 4.419 4.493 . 0 0 "[ . 1 . 2]" 1
202 1 15 ASN HA 1 31 LEU MD1 . . 3.370 3.172 3.030 3.232 . 0 0 "[ . 1 . 2]" 1
203 1 15 ASN HA 1 31 LEU MD2 . . 5.500 5.378 4.988 5.492 . 0 0 "[ . 1 . 2]" 1
204 1 15 ASN HA 1 31 LEU HG . . 4.990 4.918 4.266 5.003 0.013 3 0 "[ . 1 . 2]" 1
205 1 15 ASN HA 1 34 TYR QD . . 5.120 5.208 5.179 5.227 0.107 11 0 "[ . 1 . 2]" 1
206 1 15 ASN HA 1 34 TYR QE . . 4.900 3.746 3.694 3.838 . 0 0 "[ . 1 . 2]" 1
207 1 15 ASN HA 1 41 CYS HB3 . . 5.500 5.502 5.434 5.524 0.024 16 0 "[ . 1 . 2]" 1
208 1 15 ASN HB2 1 16 SER H . . 4.840 3.877 3.568 4.013 . 0 0 "[ . 1 . 2]" 1
209 1 15 ASN HB3 1 15 ASN HD21 . . 3.220 2.187 2.119 2.246 . 0 0 "[ . 1 . 2]" 1
210 1 15 ASN HB3 1 15 ASN HD22 . . 3.450 3.462 3.436 3.485 0.035 9 0 "[ . 1 . 2]" 1
211 1 15 ASN HB3 1 31 LEU MD1 . . 4.600 4.220 4.153 4.393 . 0 0 "[ . 1 . 2]" 1
212 1 15 ASN HB3 1 34 TYR QD . . 4.280 3.491 3.425 3.644 . 0 0 "[ . 1 . 2]" 1
213 1 15 ASN HB3 1 34 TYR QE . . 3.880 2.152 2.061 2.312 . 0 0 "[ . 1 . 2]" 1
214 1 15 ASN HB3 1 43 GLU H . . 5.500 5.049 4.873 5.301 . 0 0 "[ . 1 . 2]" 1
215 1 15 ASN HD21 1 31 LEU MD1 . . 5.500 4.980 4.372 5.513 0.013 18 0 "[ . 1 . 2]" 1
216 1 15 ASN HD21 1 34 TYR QD . . 4.350 4.131 3.883 4.295 . 0 0 "[ . 1 . 2]" 1
217 1 15 ASN HD21 1 34 TYR QE . . 4.260 1.947 1.936 1.952 . 0 0 "[ . 1 . 2]" 1
218 1 15 ASN HD21 1 41 CYS HB3 . . 5.150 4.741 4.199 5.139 . 0 0 "[ . 1 . 2]" 1
219 1 16 SER H 1 16 SER HB2 . . 3.890 2.791 2.734 2.821 . 0 0 "[ . 1 . 2]" 1
220 1 16 SER H 1 16 SER HB3 . . 4.210 3.856 3.815 3.877 . 0 0 "[ . 1 . 2]" 1
221 1 16 SER H 1 17 GLY H . . 4.530 4.435 4.417 4.472 . 0 0 "[ . 1 . 2]" 1
222 1 16 SER H 1 31 LEU H . . 5.200 4.876 4.643 5.092 . 0 0 "[ . 1 . 2]" 1
223 1 16 SER H 1 31 LEU MD1 . . 4.320 3.966 3.754 4.321 0.001 15 0 "[ . 1 . 2]" 1
224 1 16 SER H 1 31 LEU MD2 . . 5.360 4.963 4.488 5.349 . 0 0 "[ . 1 . 2]" 1
225 1 16 SER H 1 31 LEU HG . . 4.810 4.335 3.957 4.677 . 0 0 "[ . 1 . 2]" 1
226 1 16 SER HA 1 17 GLY HA3 . . 5.500 4.373 4.356 4.380 . 0 0 "[ . 1 . 2]" 1
227 1 16 SER HA 1 30 CYS HA . . 2.860 1.963 1.952 1.971 . 0 0 "[ . 1 . 2]" 1
228 1 16 SER HA 1 30 CYS HB3 . . 4.790 3.778 3.667 3.941 . 0 0 "[ . 1 . 2]" 1
229 1 16 SER HA 1 31 LEU H . . 4.430 2.187 1.991 2.491 . 0 0 "[ . 1 . 2]" 1
230 1 16 SER HA 1 31 LEU HA . . 5.300 4.206 3.918 4.470 . 0 0 "[ . 1 . 2]" 1
231 1 16 SER HA 1 31 LEU HB2 . . 4.820 4.353 4.104 4.763 . 0 0 "[ . 1 . 2]" 1
232 1 16 SER HA 1 31 LEU HB3 . . 5.500 5.216 4.990 5.523 0.023 15 0 "[ . 1 . 2]" 1
233 1 16 SER HA 1 31 LEU MD1 . . 4.500 3.353 3.192 3.847 . 0 0 "[ . 1 . 2]" 1
234 1 16 SER HA 1 31 LEU MD2 . . 4.560 4.075 3.650 4.317 . 0 0 "[ . 1 . 2]" 1
235 1 16 SER HA 1 31 LEU HG . . 3.660 2.601 2.395 2.870 . 0 0 "[ . 1 . 2]" 1
236 1 16 SER HB2 1 17 GLY H . . 3.940 3.508 3.256 3.908 . 0 0 "[ . 1 . 2]" 1
237 1 16 SER HB2 1 18 CYS HB3 . . 5.500 4.298 4.031 4.532 . 0 0 "[ . 1 . 2]" 1
238 1 16 SER HB2 1 28 CYS HB3 . . 5.500 3.534 3.118 3.833 . 0 0 "[ . 1 . 2]" 1
239 1 16 SER HB2 1 30 CYS HA . . 4.510 3.800 3.661 4.113 . 0 0 "[ . 1 . 2]" 1
240 1 16 SER HB2 1 31 LEU H . . 5.500 5.136 4.955 5.471 . 0 0 "[ . 1 . 2]" 1
241 1 16 SER HB2 1 31 LEU HG . . 5.500 5.203 4.996 5.499 . 0 0 "[ . 1 . 2]" 1
242 1 16 SER HB3 1 17 GLY H . . 3.720 2.464 2.164 3.041 . 0 0 "[ . 1 . 2]" 1
243 1 16 SER HB3 1 18 CYS H . . 4.960 3.905 3.815 4.180 . 0 0 "[ . 1 . 2]" 1
244 1 16 SER HB3 1 18 CYS HA . . 5.500 4.782 4.709 4.868 . 0 0 "[ . 1 . 2]" 1
245 1 16 SER HB3 1 28 CYS HA . . 5.190 4.169 3.953 4.417 . 0 0 "[ . 1 . 2]" 1
246 1 16 SER HB3 1 30 CYS HA . . 3.890 2.464 2.320 2.734 . 0 0 "[ . 1 . 2]" 1
247 1 16 SER HB3 1 31 LEU H . . 5.200 4.089 3.897 4.430 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLY H 1 18 CYS H . . 3.710 3.410 3.278 3.619 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLY H 1 18 CYS HB3 . . 5.500 5.238 5.070 5.511 0.011 16 0 "[ . 1 . 2]" 1
250 1 17 GLY H 1 28 CYS HA . . 5.500 4.958 4.755 5.293 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLY H 1 30 CYS HB2 . . 5.500 5.553 5.513 5.575 0.075 10 0 "[ . 1 . 2]" 1
252 1 17 GLY H 1 31 LEU H . . 4.670 3.249 2.991 3.391 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLY H 1 31 LEU MD1 . . 4.830 4.447 4.149 4.584 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLY H 1 31 LEU MD2 . . 4.000 3.576 2.845 3.864 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLY H 1 31 LEU HG . . 4.320 2.998 2.664 3.162 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLY HA2 1 18 CYS H . . 3.390 2.511 2.433 2.539 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLY HA2 1 31 LEU MD1 . . 4.630 4.633 4.551 4.645 0.015 12 0 "[ . 1 . 2]" 1
258 1 17 GLY HA2 1 31 LEU MD2 . . 3.620 3.049 2.595 3.433 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLY HA3 1 31 LEU HB3 . . 5.500 4.935 4.789 5.120 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLY HA3 1 31 LEU MD1 . . 5.160 4.560 4.439 4.646 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLY HA3 1 31 LEU MD2 . . 4.000 2.467 2.123 2.682 . 0 0 "[ . 1 . 2]" 1
262 1 18 CYS H 1 18 CYS HB2 . . 3.680 3.520 3.497 3.535 . 0 0 "[ . 1 . 2]" 1
263 1 18 CYS H 1 18 CYS HB3 . . 3.290 2.226 2.190 2.253 . 0 0 "[ . 1 . 2]" 1
264 1 18 CYS H 1 19 PHE H . . 4.650 4.642 4.639 4.647 . 0 0 "[ . 1 . 2]" 1
265 1 18 CYS H 1 28 CYS HA . . 5.140 3.384 3.329 3.508 . 0 0 "[ . 1 . 2]" 1
266 1 18 CYS HA 1 19 PHE H . . 2.960 2.419 2.387 2.436 . 0 0 "[ . 1 . 2]" 1
267 1 18 CYS HA 1 19 PHE QD . . 5.020 2.821 2.793 2.854 . 0 0 "[ . 1 . 2]" 1
268 1 18 CYS HA 1 27 GLU H . . 4.340 4.162 4.118 4.232 . 0 0 "[ . 1 . 2]" 1
269 1 18 CYS HA 1 28 CYS H . . 5.140 4.231 4.198 4.256 . 0 0 "[ . 1 . 2]" 1
270 1 18 CYS HA 1 28 CYS HA . . 2.580 1.960 1.954 1.967 . 0 0 "[ . 1 . 2]" 1
271 1 18 CYS HA 1 28 CYS HB2 . . 4.850 4.974 4.968 4.980 0.130 11 0 "[ . 1 . 2]" 1
272 1 18 CYS HA 1 29 LYS H . . 4.040 2.522 2.381 2.603 . 0 0 "[ . 1 . 2]" 1
273 1 18 CYS HB2 1 27 GLU H . . 3.990 3.990 3.902 4.009 0.019 11 0 "[ . 1 . 2]" 1
274 1 18 CYS HB3 1 19 PHE H . . 3.900 3.933 3.920 3.955 0.055 16 0 "[ . 1 . 2]" 1
275 1 18 CYS HB3 1 19 PHE QD . . 5.500 5.275 5.249 5.314 . 0 0 "[ . 1 . 2]" 1
276 1 18 CYS HB3 1 28 CYS HA . . 3.330 2.398 2.337 2.471 . 0 0 "[ . 1 . 2]" 1
277 1 18 CYS HB3 1 29 LYS H . . 4.380 4.369 4.128 4.395 0.015 11 0 "[ . 1 . 2]" 1
278 1 19 PHE H 1 19 PHE QB . . 3.530 3.244 3.210 3.258 . 0 0 "[ . 1 . 2]" 1
279 1 19 PHE H 1 19 PHE QD . . 4.310 2.439 2.349 2.476 . 0 0 "[ . 1 . 2]" 1
280 1 19 PHE H 1 26 GLU HA . . 5.000 3.728 3.671 3.812 . 0 0 "[ . 1 . 2]" 1
281 1 19 PHE H 1 26 GLU QB . . 4.660 3.701 3.631 3.773 . 0 0 "[ . 1 . 2]" 1
282 1 19 PHE H 1 27 GLU H . . 3.530 2.501 2.439 2.580 . 0 0 "[ . 1 . 2]" 1
283 1 19 PHE H 1 27 GLU QB . . 4.490 4.004 3.859 4.128 . 0 0 "[ . 1 . 2]" 1
284 1 19 PHE H 1 29 LYS H . . 5.100 4.363 4.028 4.476 . 0 0 "[ . 1 . 2]" 1
285 1 19 PHE HA 1 19 PHE QD . . 4.190 3.681 3.678 3.684 . 0 0 "[ . 1 . 2]" 1
286 1 19 PHE QB 1 20 ARG H . . 4.110 2.973 2.847 3.052 . 0 0 "[ . 1 . 2]" 1
287 1 19 PHE QD 1 20 ARG H . . 4.760 4.110 3.962 4.206 . 0 0 "[ . 1 . 2]" 1
288 1 19 PHE QD 1 20 ARG HA . . 5.290 4.873 4.826 4.921 . 0 0 "[ . 1 . 2]" 1
289 1 19 PHE QD 1 21 HIS H . . 5.370 4.765 4.488 5.096 . 0 0 "[ . 1 . 2]" 1
290 1 19 PHE QD 1 21 HIS HA . . 4.780 3.734 3.531 3.961 . 0 0 "[ . 1 . 2]" 1
291 1 19 PHE QD 1 21 HIS QB . . 5.500 5.306 5.133 5.512 0.012 7 0 "[ . 1 . 2]" 1
292 1 19 PHE QD 1 26 GLU QB . . 5.500 5.533 5.522 5.561 0.061 16 0 "[ . 1 . 2]" 1
293 1 19 PHE QD 1 27 GLU H . . 4.970 3.495 3.434 3.586 . 0 0 "[ . 1 . 2]" 1
294 1 19 PHE QD 1 27 GLU QB . . 4.400 3.253 3.144 3.369 . 0 0 "[ . 1 . 2]" 1
295 1 19 PHE QD 1 27 GLU QG . . 5.330 4.990 4.510 5.275 . 0 0 "[ . 1 . 2]" 1
296 1 19 PHE QD 1 28 CYS HA . . 5.110 4.367 4.288 4.403 . 0 0 "[ . 1 . 2]" 1
297 1 19 PHE QD 1 29 LYS H . . 4.670 3.628 3.237 3.782 . 0 0 "[ . 1 . 2]" 1
298 1 19 PHE QD 1 29 LYS QB . . 5.340 4.346 3.397 4.944 . 0 0 "[ . 1 . 2]" 1
299 1 19 PHE QE 1 21 HIS H . . 5.500 4.988 4.741 5.348 . 0 0 "[ . 1 . 2]" 1
300 1 19 PHE QE 1 21 HIS HA . . 3.740 3.526 3.284 3.743 0.003 3 0 "[ . 1 . 2]" 1
301 1 19 PHE QE 1 21 HIS QB . . 5.140 4.667 4.520 4.821 . 0 0 "[ . 1 . 2]" 1
302 1 19 PHE QE 1 21 HIS HE1 . . 4.280 2.902 2.563 3.523 . 0 0 "[ . 1 . 2]" 1
303 1 19 PHE QE 1 27 GLU HA . . 5.500 4.886 4.757 5.083 . 0 0 "[ . 1 . 2]" 1
304 1 19 PHE QE 1 27 GLU HB2 . . 5.500 3.388 2.669 3.716 . 0 0 "[ . 1 . 2]" 1
305 1 19 PHE QE 1 27 GLU QB . . 4.840 2.037 1.977 2.235 . 0 0 "[ . 1 . 2]" 1
306 1 19 PHE QE 1 27 GLU HB3 . . 5.500 2.057 1.994 2.275 . 0 0 "[ . 1 . 2]" 1
307 1 19 PHE QE 1 27 GLU QG . . 4.130 3.627 3.116 3.985 . 0 0 "[ . 1 . 2]" 1
308 1 19 PHE QE 1 28 CYS HA . . 5.500 5.453 5.370 5.512 0.012 19 0 "[ . 1 . 2]" 1
309 1 19 PHE QE 1 29 LYS H . . 5.230 3.980 3.574 4.304 . 0 0 "[ . 1 . 2]" 1
310 1 19 PHE QE 1 29 LYS QB . . 3.900 3.401 2.678 3.899 . 0 0 "[ . 1 . 2]" 1
311 1 19 PHE QE 1 29 LYS QD . . 4.610 3.517 2.072 4.651 0.041 16 0 "[ . 1 . 2]" 1
312 1 19 PHE QE 1 29 LYS QE . . 4.610 4.136 2.600 4.618 0.008 18 0 "[ . 1 . 2]" 1
313 1 19 PHE QE 1 29 LYS QG . . 4.910 3.911 2.373 4.925 0.015 12 0 "[ . 1 . 2]" 1
314 1 20 ARG H 1 20 ARG HB2 . . 3.790 2.391 2.309 2.482 . 0 0 "[ . 1 . 2]" 1
315 1 20 ARG H 1 20 ARG HB3 . . 3.840 2.801 2.709 2.890 . 0 0 "[ . 1 . 2]" 1
316 1 20 ARG H 1 20 ARG HD2 . . 5.450 5.336 5.052 5.470 0.020 8 0 "[ . 1 . 2]" 1
317 1 20 ARG H 1 20 ARG HD3 . . 4.830 4.340 4.132 4.462 . 0 0 "[ . 1 . 2]" 1
318 1 20 ARG H 1 20 ARG HG3 . . 4.550 4.357 4.288 4.431 . 0 0 "[ . 1 . 2]" 1
319 1 20 ARG HA 1 20 ARG HD2 . . 4.180 3.858 3.263 4.025 . 0 0 "[ . 1 . 2]" 1
320 1 20 ARG HA 1 20 ARG HD3 . . 4.040 3.887 3.221 4.046 0.006 6 0 "[ . 1 . 2]" 1
321 1 20 ARG HA 1 20 ARG HG2 . . 4.230 3.345 3.270 3.610 . 0 0 "[ . 1 . 2]" 1
322 1 20 ARG HA 1 20 ARG HG3 . . 3.520 2.175 2.115 2.341 . 0 0 "[ . 1 . 2]" 1
323 1 20 ARG HA 1 21 HIS HD2 . . 5.380 5.050 4.744 5.224 . 0 0 "[ . 1 . 2]" 1
324 1 20 ARG HA 1 25 ARG HA . . 4.830 4.853 4.833 4.884 0.054 16 0 "[ . 1 . 2]" 1
325 1 20 ARG HA 1 26 GLU HA . . 3.200 1.997 1.975 2.054 . 0 0 "[ . 1 . 2]" 1
326 1 20 ARG HA 1 26 GLU QB . . 3.930 3.594 3.503 3.699 . 0 0 "[ . 1 . 2]" 1
327 1 20 ARG HA 1 26 GLU HG2 . . 4.160 3.387 2.596 4.121 . 0 0 "[ . 1 . 2]" 1
328 1 20 ARG HA 1 26 GLU QG . . 3.390 2.594 2.356 2.826 . 0 0 "[ . 1 . 2]" 1
329 1 20 ARG HA 1 26 GLU HG3 . . 4.160 2.873 2.411 3.793 . 0 0 "[ . 1 . 2]" 1
330 1 20 ARG HB2 1 20 ARG HD2 . . 3.510 3.118 2.943 3.334 . 0 0 "[ . 1 . 2]" 1
331 1 20 ARG HB2 1 20 ARG HD3 . . 3.680 1.986 1.952 2.034 . 0 0 "[ . 1 . 2]" 1
332 1 20 ARG HB2 1 20 ARG HE . . 4.800 4.171 3.706 4.550 . 0 0 "[ . 1 . 2]" 1
333 1 20 ARG HB2 1 21 HIS H . . 4.970 4.489 4.403 4.537 . 0 0 "[ . 1 . 2]" 1
334 1 20 ARG HB2 1 24 GLU HA . . 5.420 5.141 4.932 5.322 . 0 0 "[ . 1 . 2]" 1
335 1 20 ARG HB2 1 26 GLU HA . . 4.390 4.113 4.001 4.256 . 0 0 "[ . 1 . 2]" 1
336 1 20 ARG HB2 1 26 GLU QG . . 4.030 2.815 2.503 3.244 . 0 0 "[ . 1 . 2]" 1
337 1 20 ARG HB3 1 20 ARG HD3 . . 3.550 3.004 2.924 3.324 . 0 0 "[ . 1 . 2]" 1
338 1 20 ARG HB3 1 26 GLU HA . . 5.500 4.916 4.867 4.965 . 0 0 "[ . 1 . 2]" 1
339 1 20 ARG HD2 1 21 HIS H . . 5.490 5.301 4.505 5.487 . 0 0 "[ . 1 . 2]" 1
340 1 20 ARG HD2 1 24 GLU HA . . 4.680 4.031 3.658 4.553 . 0 0 "[ . 1 . 2]" 1
341 1 20 ARG HD2 1 26 GLU HA . . 5.120 4.541 3.858 4.694 . 0 0 "[ . 1 . 2]" 1
342 1 20 ARG HD2 1 26 GLU QB . . 5.150 4.092 3.973 4.291 . 0 0 "[ . 1 . 2]" 1
343 1 20 ARG HD2 1 26 GLU HG2 . . 4.530 2.628 2.208 2.991 . 0 0 "[ . 1 . 2]" 1
344 1 20 ARG HD2 1 26 GLU QG . . 3.770 2.021 1.909 2.174 . 0 0 "[ . 1 . 2]" 1
345 1 20 ARG HD2 1 26 GLU HG3 . . 4.530 2.119 1.996 2.362 . 0 0 "[ . 1 . 2]" 1
346 1 20 ARG HD3 1 24 GLU HA . . 4.940 4.757 4.485 4.943 0.003 11 0 "[ . 1 . 2]" 1
347 1 20 ARG HD3 1 26 GLU HA . . 5.500 4.998 4.113 5.281 . 0 0 "[ . 1 . 2]" 1
348 1 20 ARG HE 1 20 ARG HG3 . . 4.090 3.452 3.314 3.564 . 0 0 "[ . 1 . 2]" 1
349 1 20 ARG HE 1 24 GLU HA . . 4.450 3.367 2.961 3.877 . 0 0 "[ . 1 . 2]" 1
350 1 20 ARG HE 1 24 GLU HB2 . . 5.230 5.238 5.222 5.245 0.015 15 0 "[ . 1 . 2]" 1
351 1 20 ARG HE 1 24 GLU HB3 . . 5.500 3.639 3.517 4.141 . 0 0 "[ . 1 . 2]" 1
352 1 20 ARG HE 1 24 GLU QG . . 5.340 4.065 2.688 4.945 . 0 0 "[ . 1 . 2]" 1
353 1 20 ARG HG2 1 24 GLU HA . . 3.170 2.316 2.092 2.772 . 0 0 "[ . 1 . 2]" 1
354 1 20 ARG HG2 1 25 ARG H . . 3.790 3.687 3.513 3.801 0.011 7 0 "[ . 1 . 2]" 1
355 1 20 ARG HG2 1 26 GLU HA . . 5.500 4.971 4.829 5.298 . 0 0 "[ . 1 . 2]" 1
356 1 20 ARG HG3 1 21 HIS H . . 4.170 3.161 2.867 3.347 . 0 0 "[ . 1 . 2]" 1
357 1 20 ARG HG3 1 21 HIS HA . . 5.500 5.447 5.027 5.512 0.012 11 0 "[ . 1 . 2]" 1
358 1 20 ARG HG3 1 21 HIS QB . . 5.500 4.573 4.189 4.670 . 0 0 "[ . 1 . 2]" 1
359 1 20 ARG HG3 1 24 GLU HA . . 3.930 3.009 2.651 3.300 . 0 0 "[ . 1 . 2]" 1
360 1 20 ARG HG3 1 25 ARG H . . 3.270 3.221 2.394 3.287 0.017 15 0 "[ . 1 . 2]" 1
361 1 20 ARG HG3 1 26 GLU H . . 4.250 3.426 3.310 3.951 . 0 0 "[ . 1 . 2]" 1
362 1 20 ARG HG3 1 26 GLU HA . . 4.220 3.369 3.210 3.825 . 0 0 "[ . 1 . 2]" 1
363 1 20 ARG HG3 1 26 GLU QG . . 3.830 2.121 1.981 3.290 . 0 0 "[ . 1 . 2]" 1
364 1 21 HIS H 1 21 HIS QB . . 3.320 2.173 2.144 2.218 . 0 0 "[ . 1 . 2]" 1
365 1 21 HIS H 1 21 HIS HD2 . . 3.860 3.454 3.232 3.781 . 0 0 "[ . 1 . 2]" 1
366 1 21 HIS H 1 23 ASP H . . 4.940 4.745 4.462 4.931 . 0 0 "[ . 1 . 2]" 1
367 1 21 HIS H 1 24 GLU HA . . 5.130 4.568 4.165 4.804 . 0 0 "[ . 1 . 2]" 1
368 1 21 HIS H 1 25 ARG H . . 4.290 2.718 2.377 2.963 . 0 0 "[ . 1 . 2]" 1
369 1 21 HIS H 1 25 ARG HB3 . . 4.350 3.571 3.367 3.719 . 0 0 "[ . 1 . 2]" 1
370 1 21 HIS H 1 26 GLU HA . . 4.840 3.034 2.907 3.172 . 0 0 "[ . 1 . 2]" 1
371 1 21 HIS H 1 26 GLU QG . . 5.130 4.104 3.924 4.343 . 0 0 "[ . 1 . 2]" 1
372 1 21 HIS HA 1 21 HIS HD2 . . 4.500 4.268 4.171 4.362 . 0 0 "[ . 1 . 2]" 1
373 1 21 HIS HA 1 22 LEU HA . . 5.290 4.309 4.294 4.326 . 0 0 "[ . 1 . 2]" 1
374 1 21 HIS QB 1 21 HIS HD2 . . 3.530 2.643 2.629 2.667 . 0 0 "[ . 1 . 2]" 1
375 1 21 HIS QB 1 22 LEU H . . 3.990 2.188 2.030 2.511 . 0 0 "[ . 1 . 2]" 1
376 1 21 HIS QB 1 22 LEU HA . . 5.500 4.309 4.237 4.444 . 0 0 "[ . 1 . 2]" 1
377 1 21 HIS QB 1 23 ASP H . . 3.420 2.243 2.139 2.349 . 0 0 "[ . 1 . 2]" 1
378 1 21 HIS QB 1 25 ARG H . . 3.620 2.395 2.279 2.560 . 0 0 "[ . 1 . 2]" 1
379 1 21 HIS QB 1 25 ARG HA . . 5.500 4.127 4.036 4.294 . 0 0 "[ . 1 . 2]" 1
380 1 21 HIS QB 1 25 ARG HB3 . . 3.310 1.997 1.972 2.079 . 0 0 "[ . 1 . 2]" 1
381 1 21 HIS QB 1 25 ARG HE . . 5.500 4.922 3.196 5.481 . 0 0 "[ . 1 . 2]" 1
382 1 21 HIS QB 1 25 ARG HG2 . . 4.680 3.535 3.223 4.111 . 0 0 "[ . 1 . 2]" 1
383 1 21 HIS QB 1 25 ARG QG . . 4.000 3.351 3.129 3.757 . 0 0 "[ . 1 . 2]" 1
384 1 21 HIS QB 1 25 ARG HG3 . . 4.680 4.325 3.513 4.601 . 0 0 "[ . 1 . 2]" 1
385 1 21 HIS HD2 1 25 ARG H . . 5.050 4.744 4.563 4.850 . 0 0 "[ . 1 . 2]" 1
386 1 21 HIS HD2 1 25 ARG HA . . 5.350 5.193 4.788 5.353 0.003 18 0 "[ . 1 . 2]" 1
387 1 21 HIS HD2 1 25 ARG HB2 . . 4.850 4.714 4.380 4.842 . 0 0 "[ . 1 . 2]" 1
388 1 21 HIS HD2 1 25 ARG HB3 . . 3.960 3.131 2.622 3.319 . 0 0 "[ . 1 . 2]" 1
389 1 21 HIS HD2 1 25 ARG QD . . 5.390 4.393 3.640 5.331 . 0 0 "[ . 1 . 2]" 1
390 1 21 HIS HD2 1 25 ARG HG2 . . 4.600 2.836 2.309 3.821 . 0 0 "[ . 1 . 2]" 1
391 1 21 HIS HD2 1 25 ARG QG . . 4.030 2.697 2.292 3.418 . 0 0 "[ . 1 . 2]" 1
392 1 21 HIS HD2 1 25 ARG HG3 . . 4.600 4.034 2.779 4.520 . 0 0 "[ . 1 . 2]" 1
393 1 21 HIS HD2 1 26 GLU HA . . 4.720 4.535 4.199 4.720 . 0 0 "[ . 1 . 2]" 1
394 1 21 HIS HD2 1 27 GLU H . . 4.990 4.300 3.825 4.527 . 0 0 "[ . 1 . 2]" 1
395 1 21 HIS HD2 1 27 GLU HB2 . . 4.230 2.703 2.379 2.936 . 0 0 "[ . 1 . 2]" 1
396 1 21 HIS HD2 1 27 GLU QB . . 3.680 2.665 2.358 2.875 . 0 0 "[ . 1 . 2]" 1
397 1 21 HIS HD2 1 27 GLU HB3 . . 4.230 4.079 3.858 4.231 0.001 20 0 "[ . 1 . 2]" 1
398 1 21 HIS HD2 1 27 GLU QG . . 4.690 4.098 2.547 4.628 . 0 0 "[ . 1 . 2]" 1
399 1 22 LEU H 1 22 LEU QB . . 3.370 2.455 2.083 2.670 . 0 0 "[ . 1 . 2]" 1
400 1 22 LEU H 1 22 LEU MD1 . . 5.210 3.679 3.431 4.160 . 0 0 "[ . 1 . 2]" 1
401 1 22 LEU H 1 22 LEU QD . . 4.570 2.476 1.996 2.920 . 0 0 "[ . 1 . 2]" 1
402 1 22 LEU H 1 22 LEU MD2 . . 5.210 2.531 2.009 3.113 . 0 0 "[ . 1 . 2]" 1
403 1 22 LEU H 1 23 ASP H . . 4.690 2.546 2.470 2.690 . 0 0 "[ . 1 . 2]" 1
404 1 22 LEU H 1 24 GLU H . . 5.310 4.397 4.319 4.693 . 0 0 "[ . 1 . 2]" 1
405 1 22 LEU HA 1 22 LEU MD1 . . 4.170 3.153 1.944 3.939 . 0 0 "[ . 1 . 2]" 1
406 1 22 LEU HA 1 22 LEU QD . . 3.150 2.101 1.911 2.282 . 0 0 "[ . 1 . 2]" 1
407 1 22 LEU HA 1 22 LEU MD2 . . 4.170 2.359 2.076 2.894 . 0 0 "[ . 1 . 2]" 1
408 1 22 LEU HA 1 22 LEU HG . . 3.920 3.511 3.243 3.698 . 0 0 "[ . 1 . 2]" 1
409 1 22 LEU HA 1 23 ASP HA . . 5.440 4.601 4.499 4.620 . 0 0 "[ . 1 . 2]" 1
410 1 22 LEU HA 1 24 GLU H . . 3.840 3.550 3.494 3.788 . 0 0 "[ . 1 . 2]" 1
411 1 22 LEU QB 1 22 LEU QD . . 2.870 1.973 1.903 2.048 . 0 0 "[ . 1 . 2]" 1
412 1 22 LEU QB 1 23 ASP H . . 3.580 3.017 2.923 3.335 . 0 0 "[ . 1 . 2]" 1
413 1 22 LEU QB 1 23 ASP HA . . 5.300 4.036 3.977 4.206 . 0 0 "[ . 1 . 2]" 1
414 1 23 ASP H 1 23 ASP HB2 . . 3.690 2.668 2.292 3.604 . 0 0 "[ . 1 . 2]" 1
415 1 23 ASP H 1 23 ASP QB . . 3.230 2.491 2.265 3.042 . 0 0 "[ . 1 . 2]" 1
416 1 23 ASP H 1 23 ASP HB3 . . 3.690 3.305 2.628 3.693 0.003 7 0 "[ . 1 . 2]" 1
417 1 23 ASP HA 1 23 ASP QB . . 2.630 2.375 2.168 2.471 . 0 0 "[ . 1 . 2]" 1
418 1 23 ASP HA 1 24 GLU H . . 3.470 2.955 2.832 3.021 . 0 0 "[ . 1 . 2]" 1
419 1 23 ASP HA 1 24 GLU HB2 . . 4.710 4.456 4.023 4.520 . 0 0 "[ . 1 . 2]" 1
420 1 23 ASP QB 1 24 GLU H . . 3.880 3.803 3.736 3.976 0.096 12 0 "[ . 1 . 2]" 1
421 1 23 ASP HB2 1 24 GLU H . . 4.650 4.243 4.023 4.540 . 0 0 "[ . 1 . 2]" 1
422 1 23 ASP HB3 1 24 GLU H . . 4.650 4.352 4.044 4.644 . 0 0 "[ . 1 . 2]" 1
423 1 24 GLU H 1 24 GLU HB2 . . 3.740 3.654 3.321 3.716 . 0 0 "[ . 1 . 2]" 1
424 1 24 GLU H 1 24 GLU HB3 . . 4.050 3.994 3.943 4.057 0.007 3 0 "[ . 1 . 2]" 1
425 1 24 GLU H 1 24 GLU HG2 . . 3.910 3.167 2.585 3.752 . 0 0 "[ . 1 . 2]" 1
426 1 24 GLU H 1 24 GLU HG3 . . 3.910 2.973 2.666 3.387 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLU HA 1 24 GLU HG2 . . 3.700 2.644 2.435 2.724 . 0 0 "[ . 1 . 2]" 1
428 1 24 GLU HA 1 24 GLU HG3 . . 3.700 3.311 2.865 3.660 . 0 0 "[ . 1 . 2]" 1
429 1 24 GLU HA 1 25 ARG HA . . 5.290 4.434 4.349 4.501 . 0 0 "[ . 1 . 2]" 1
430 1 24 GLU HB3 1 25 ARG H . . 5.030 4.477 4.368 4.524 . 0 0 "[ . 1 . 2]" 1
431 1 25 ARG H 1 25 ARG HB2 . . 3.530 3.133 2.783 3.310 . 0 0 "[ . 1 . 2]" 1
432 1 25 ARG H 1 25 ARG HB3 . . 3.140 2.632 2.483 2.867 . 0 0 "[ . 1 . 2]" 1
433 1 25 ARG H 1 25 ARG QD . . 5.320 4.809 4.338 5.108 . 0 0 "[ . 1 . 2]" 1
434 1 25 ARG H 1 26 GLU H . . 4.150 4.060 3.865 4.169 0.019 20 0 "[ . 1 . 2]" 1
435 1 25 ARG HA 1 25 ARG HB2 . . 2.960 2.436 2.386 2.614 . 0 0 "[ . 1 . 2]" 1
436 1 25 ARG HA 1 25 ARG QD . . 4.250 3.484 2.004 4.211 . 0 0 "[ . 1 . 2]" 1
437 1 25 ARG HA 1 25 ARG QG . . 3.020 2.533 2.364 3.021 0.001 4 0 "[ . 1 . 2]" 1
438 1 25 ARG HA 1 26 GLU H . . 2.770 2.166 2.154 2.174 . 0 0 "[ . 1 . 2]" 1
439 1 25 ARG HA 1 26 GLU HA . . 4.930 4.428 4.416 4.434 . 0 0 "[ . 1 . 2]" 1
440 1 25 ARG HA 1 26 GLU QG . . 4.910 3.954 3.598 4.237 . 0 0 "[ . 1 . 2]" 1
441 1 25 ARG HB2 1 25 ARG QD . . 3.390 2.354 2.042 2.642 . 0 0 "[ . 1 . 2]" 1
442 1 25 ARG HB2 1 25 ARG HE . . 4.780 3.354 2.074 4.537 . 0 0 "[ . 1 . 2]" 1
443 1 25 ARG HB2 1 26 GLU H . . 4.680 4.423 4.358 4.575 . 0 0 "[ . 1 . 2]" 1
444 1 25 ARG HB3 1 25 ARG QD . . 3.470 2.925 2.473 3.430 . 0 0 "[ . 1 . 2]" 1
445 1 25 ARG HB3 1 25 ARG HE . . 4.750 3.695 2.482 4.514 . 0 0 "[ . 1 . 2]" 1
446 1 25 ARG QD 1 26 GLU H . . 5.210 4.783 3.102 5.218 0.008 17 0 "[ . 1 . 2]" 1
447 1 25 ARG QG 1 26 GLU H . . 4.200 3.252 3.146 3.571 . 0 0 "[ . 1 . 2]" 1
448 1 25 ARG QG 1 26 GLU HA . . 5.340 4.335 4.213 4.712 . 0 0 "[ . 1 . 2]" 1
449 1 25 ARG QG 1 27 GLU H . . 5.340 4.759 4.586 5.241 . 0 0 "[ . 1 . 2]" 1
450 1 25 ARG QG 1 27 GLU HA . . 5.340 4.539 4.363 4.954 . 0 0 "[ . 1 . 2]" 1
451 1 25 ARG HG2 1 26 GLU H . . 5.020 4.386 3.934 5.020 . 0 0 "[ . 1 . 2]" 1
452 1 25 ARG HG3 1 26 GLU H . . 5.020 3.364 3.219 3.655 . 0 0 "[ . 1 . 2]" 1
453 1 26 GLU H 1 26 GLU QB . . 3.130 2.550 2.432 2.615 . 0 0 "[ . 1 . 2]" 1
454 1 26 GLU H 1 26 GLU QG . . 3.710 2.367 1.944 2.710 . 0 0 "[ . 1 . 2]" 1
455 1 26 GLU H 1 27 GLU H . . 4.850 4.554 4.535 4.577 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLU HA 1 26 GLU HG2 . . 3.660 3.182 2.694 3.629 . 0 0 "[ . 1 . 2]" 1
457 1 26 GLU HA 1 26 GLU HG3 . . 3.660 2.744 2.511 3.232 . 0 0 "[ . 1 . 2]" 1
458 1 26 GLU HA 1 27 GLU H . . 3.260 2.169 2.157 2.187 . 0 0 "[ . 1 . 2]" 1
459 1 26 GLU HA 1 27 GLU HA . . 4.610 4.404 4.397 4.414 . 0 0 "[ . 1 . 2]" 1
460 1 26 GLU QB 1 27 GLU H . . 3.790 3.073 2.987 3.137 . 0 0 "[ . 1 . 2]" 1
461 1 26 GLU QG 1 27 GLU H . . 4.740 4.260 4.126 4.339 . 0 0 "[ . 1 . 2]" 1
462 1 27 GLU H 1 27 GLU QB . . 3.220 2.564 2.413 2.622 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLU H 1 27 GLU QG . . 4.700 4.154 3.709 4.303 . 0 0 "[ . 1 . 2]" 1
464 1 27 GLU H 1 28 CYS HA . . 4.650 4.589 4.448 4.683 0.033 16 0 "[ . 1 . 2]" 1
465 1 27 GLU HA 1 28 CYS HA . . 4.920 4.463 4.419 4.520 . 0 0 "[ . 1 . 2]" 1
466 1 27 GLU QG 1 28 CYS H . . 4.170 3.733 3.480 4.180 0.010 16 0 "[ . 1 . 2]" 1
467 1 28 CYS H 1 28 CYS HB2 . . 3.790 2.660 2.628 2.670 . 0 0 "[ . 1 . 2]" 1
468 1 28 CYS H 1 28 CYS HB3 . . 3.550 3.597 3.584 3.603 0.053 7 0 "[ . 1 . 2]" 1
469 1 28 CYS H 1 29 LYS QB . . 5.340 5.034 4.929 5.443 0.103 16 0 "[ . 1 . 2]" 1
470 1 28 CYS HA 1 29 LYS H . . 3.090 2.352 2.222 2.405 . 0 0 "[ . 1 . 2]" 1
471 1 28 CYS HA 1 29 LYS HA . . 5.260 4.461 4.401 4.501 . 0 0 "[ . 1 . 2]" 1
472 1 28 CYS HB2 1 29 LYS H . . 4.400 4.422 4.409 4.432 0.032 7 0 "[ . 1 . 2]" 1
473 1 28 CYS HB3 1 29 LYS H . . 4.880 4.201 3.969 4.271 . 0 0 "[ . 1 . 2]" 1
474 1 29 LYS H 1 29 LYS QB . . 3.190 2.497 2.245 2.972 . 0 0 "[ . 1 . 2]" 1
475 1 29 LYS H 1 29 LYS QG . . 4.230 3.069 1.938 4.098 . 0 0 "[ . 1 . 2]" 1
476 1 29 LYS HA 1 29 LYS QD . . 4.420 3.892 2.103 4.417 . 0 0 "[ . 1 . 2]" 1
477 1 29 LYS HA 1 29 LYS QG . . 3.520 2.828 2.069 3.368 . 0 0 "[ . 1 . 2]" 1
478 1 29 LYS QB 1 29 LYS QZ . . 4.020 3.230 1.853 3.832 . 0 0 "[ . 1 . 2]" 1
479 1 29 LYS QB 1 30 CYS H . . 3.820 3.135 2.739 3.557 . 0 0 "[ . 1 . 2]" 1
480 1 29 LYS HB2 1 29 LYS QZ . . 4.590 3.692 1.939 4.553 . 0 0 "[ . 1 . 2]" 1
481 1 29 LYS HB3 1 29 LYS QZ . . 4.590 3.711 1.963 4.410 . 0 0 "[ . 1 . 2]" 1
482 1 29 LYS QG 1 30 CYS H . . 4.340 3.046 1.990 4.316 . 0 0 "[ . 1 . 2]" 1
483 1 30 CYS H 1 30 CYS HB2 . . 3.600 2.727 2.698 2.738 . 0 0 "[ . 1 . 2]" 1
484 1 30 CYS H 1 30 CYS HB3 . . 4.040 3.573 3.570 3.579 . 0 0 "[ . 1 . 2]" 1
485 1 30 CYS H 1 34 TYR HB2 . . 5.500 5.106 5.062 5.134 . 0 0 "[ . 1 . 2]" 1
486 1 30 CYS HB2 1 31 LEU H . . 4.120 3.748 3.723 3.795 . 0 0 "[ . 1 . 2]" 1
487 1 30 CYS HB2 1 34 TYR H . . 4.650 4.623 4.584 4.663 0.013 11 0 "[ . 1 . 2]" 1
488 1 30 CYS HB2 1 34 TYR HB3 . . 3.060 3.203 3.192 3.216 0.156 9 0 "[ . 1 . 2]" 1
489 1 30 CYS HB3 1 31 LEU H . . 4.510 2.858 2.808 2.925 . 0 0 "[ . 1 . 2]" 1
490 1 31 LEU H 1 31 LEU HB2 . . 3.450 2.542 2.464 2.597 . 0 0 "[ . 1 . 2]" 1
491 1 31 LEU H 1 31 LEU HB3 . . 3.750 3.585 3.582 3.586 . 0 0 "[ . 1 . 2]" 1
492 1 31 LEU H 1 31 LEU MD1 . . 3.930 2.960 2.870 3.298 . 0 0 "[ . 1 . 2]" 1
493 1 31 LEU H 1 31 LEU MD2 . . 4.310 3.711 3.425 3.838 . 0 0 "[ . 1 . 2]" 1
494 1 31 LEU H 1 31 LEU HG . . 3.420 2.208 2.056 2.377 . 0 0 "[ . 1 . 2]" 1
495 1 31 LEU H 1 34 TYR HB2 . . 4.850 3.297 3.266 3.386 . 0 0 "[ . 1 . 2]" 1
496 1 31 LEU H 1 34 TYR HB3 . . 4.890 4.566 4.518 4.672 . 0 0 "[ . 1 . 2]" 1
497 1 31 LEU H 1 34 TYR QD . . 4.490 3.314 3.237 3.376 . 0 0 "[ . 1 . 2]" 1
498 1 31 LEU H 1 34 TYR QE . . 5.500 4.172 4.085 4.205 . 0 0 "[ . 1 . 2]" 1
499 1 31 LEU H 1 41 CYS HB3 . . 5.350 4.806 4.544 5.029 . 0 0 "[ . 1 . 2]" 1
500 1 31 LEU HA 1 31 LEU HB3 . . 3.010 2.456 2.429 2.495 . 0 0 "[ . 1 . 2]" 1
501 1 31 LEU HA 1 31 LEU MD1 . . 3.970 3.910 3.877 3.943 . 0 0 "[ . 1 . 2]" 1
502 1 31 LEU HA 1 31 LEU MD2 . . 3.080 2.563 2.208 2.762 . 0 0 "[ . 1 . 2]" 1
503 1 31 LEU HA 1 32 LEU H . . 3.040 2.588 2.568 2.601 . 0 0 "[ . 1 . 2]" 1
504 1 31 LEU HA 1 33 ASN H . . 4.340 4.050 4.038 4.060 . 0 0 "[ . 1 . 2]" 1
505 1 31 LEU HA 1 34 TYR QD . . 4.580 4.508 4.431 4.559 . 0 0 "[ . 1 . 2]" 1
506 1 31 LEU HA 1 34 TYR QE . . 5.500 5.501 5.416 5.528 0.028 20 0 "[ . 1 . 2]" 1
507 1 31 LEU HB2 1 31 LEU MD1 . . 3.270 2.146 2.128 2.229 . 0 0 "[ . 1 . 2]" 1
508 1 31 LEU HB2 1 31 LEU MD2 . . 3.270 3.101 3.067 3.171 . 0 0 "[ . 1 . 2]" 1
509 1 31 LEU HB2 1 32 LEU H . . 3.620 3.239 3.202 3.313 . 0 0 "[ . 1 . 2]" 1
510 1 31 LEU HB2 1 33 ASN H . . 5.500 2.549 2.488 2.636 . 0 0 "[ . 1 . 2]" 1
511 1 31 LEU HB2 1 34 TYR H . . 4.680 4.145 4.068 4.228 . 0 0 "[ . 1 . 2]" 1
512 1 31 LEU HB2 1 34 TYR QD . . 3.380 1.996 1.970 2.022 . 0 0 "[ . 1 . 2]" 1
513 1 31 LEU HB2 1 34 TYR QE . . 3.660 2.624 2.532 2.656 . 0 0 "[ . 1 . 2]" 1
514 1 31 LEU HB3 1 31 LEU MD1 . . 3.390 2.659 2.479 2.701 . 0 0 "[ . 1 . 2]" 1
515 1 31 LEU HB3 1 31 LEU MD2 . . 2.930 2.126 1.966 2.285 . 0 0 "[ . 1 . 2]" 1
516 1 31 LEU HB3 1 32 LEU H . . 3.080 2.057 2.009 2.104 . 0 0 "[ . 1 . 2]" 1
517 1 31 LEU HB3 1 33 ASN H . . 3.740 2.720 2.633 2.784 . 0 0 "[ . 1 . 2]" 1
518 1 31 LEU HB3 1 33 ASN HD21 . . 5.240 2.846 2.361 5.282 0.042 16 0 "[ . 1 . 2]" 1
519 1 31 LEU HB3 1 33 ASN HD22 . . 5.240 3.934 3.391 4.925 . 0 0 "[ . 1 . 2]" 1
520 1 31 LEU HB3 1 34 TYR QD . . 3.610 3.527 3.437 3.583 . 0 0 "[ . 1 . 2]" 1
521 1 31 LEU HB3 1 34 TYR QE . . 4.100 3.929 3.868 3.947 . 0 0 "[ . 1 . 2]" 1
522 1 31 LEU MD1 1 32 LEU H . . 4.400 4.387 4.273 4.411 0.011 4 0 "[ . 1 . 2]" 1
523 1 31 LEU MD1 1 34 TYR QD . . 4.060 3.142 3.082 3.369 . 0 0 "[ . 1 . 2]" 1
524 1 31 LEU MD1 1 34 TYR QE . . 3.990 1.942 1.880 2.129 . 0 0 "[ . 1 . 2]" 1
525 1 31 LEU MD2 1 32 LEU H . . 3.730 3.325 3.161 3.446 . 0 0 "[ . 1 . 2]" 1
526 1 31 LEU MD2 1 34 TYR QD . . 4.750 4.677 4.649 4.751 0.001 11 0 "[ . 1 . 2]" 1
527 1 31 LEU MD2 1 34 TYR QE . . 4.490 4.252 4.199 4.480 . 0 0 "[ . 1 . 2]" 1
528 1 31 LEU HG 1 32 LEU H . . 4.710 4.559 4.471 4.696 . 0 0 "[ . 1 . 2]" 1
529 1 31 LEU HG 1 34 TYR QD . . 4.740 4.318 4.081 4.431 . 0 0 "[ . 1 . 2]" 1
530 1 31 LEU HG 1 34 TYR QE . . 5.380 4.186 3.836 4.345 . 0 0 "[ . 1 . 2]" 1
531 1 32 LEU H 1 32 LEU QB . . 3.340 2.360 2.160 2.721 . 0 0 "[ . 1 . 2]" 1
532 1 32 LEU H 1 32 LEU QD . . 3.730 2.830 2.004 3.713 . 0 0 "[ . 1 . 2]" 1
533 1 32 LEU H 1 33 ASN H . . 4.040 2.532 2.525 2.546 . 0 0 "[ . 1 . 2]" 1
534 1 32 LEU H 1 34 TYR H . . 5.500 4.576 4.520 4.607 . 0 0 "[ . 1 . 2]" 1
535 1 32 LEU H 1 34 TYR QD . . 4.890 4.368 4.351 4.389 . 0 0 "[ . 1 . 2]" 1
536 1 32 LEU H 1 34 TYR QE . . 5.500 5.527 5.498 5.537 0.037 5 0 "[ . 1 . 2]" 1
537 1 32 LEU HA 1 32 LEU QD . . 3.220 2.603 1.928 3.337 0.117 12 0 "[ . 1 . 2]" 1
538 1 32 LEU HA 1 32 LEU HG . . 3.820 3.043 2.356 3.698 . 0 0 "[ . 1 . 2]" 1
539 1 32 LEU HA 1 33 ASN H . . 3.320 3.311 3.305 3.323 0.003 19 0 "[ . 1 . 2]" 1
540 1 32 LEU HA 1 34 TYR QD . . 5.150 5.101 5.036 5.133 . 0 0 "[ . 1 . 2]" 1
541 1 32 LEU QB 1 33 ASN H . . 4.270 3.378 3.256 3.791 . 0 0 "[ . 1 . 2]" 1
542 1 32 LEU QB 1 33 ASN HA . . 4.640 4.239 4.119 4.415 . 0 0 "[ . 1 . 2]" 1
543 1 32 LEU QB 1 33 ASN QD . . 4.310 3.316 2.732 4.193 . 0 0 "[ . 1 . 2]" 1
544 1 32 LEU QD 1 33 ASN H . . 4.490 4.123 3.600 4.431 . 0 0 "[ . 1 . 2]" 1
545 1 32 LEU QD 1 33 ASN HD21 . . 4.920 4.379 2.455 4.894 . 0 0 "[ . 1 . 2]" 1
546 1 32 LEU QD 1 33 ASN HD22 . . 4.920 3.929 2.600 4.823 . 0 0 "[ . 1 . 2]" 1
547 1 32 LEU QD 1 34 TYR H . . 5.280 5.005 4.582 5.266 . 0 0 "[ . 1 . 2]" 1
548 1 33 ASN H 1 33 ASN HB2 . . 3.830 2.692 2.562 2.805 . 0 0 "[ . 1 . 2]" 1
549 1 33 ASN H 1 33 ASN HB3 . . 3.980 3.740 3.719 3.751 . 0 0 "[ . 1 . 2]" 1
550 1 33 ASN H 1 33 ASN HD21 . . 5.480 2.437 2.116 3.343 . 0 0 "[ . 1 . 2]" 1
551 1 33 ASN H 1 33 ASN QD . . 4.720 2.394 2.094 3.150 . 0 0 "[ . 1 . 2]" 1
552 1 33 ASN H 1 33 ASN HD22 . . 5.480 3.599 3.324 3.930 . 0 0 "[ . 1 . 2]" 1
553 1 33 ASN H 1 34 TYR H . . 3.480 2.684 2.635 2.714 . 0 0 "[ . 1 . 2]" 1
554 1 33 ASN H 1 34 TYR HB3 . . 5.500 5.580 5.557 5.626 0.126 19 0 "[ . 1 . 2]" 1
555 1 33 ASN H 1 34 TYR QD . . 4.580 2.475 2.467 2.494 . 0 0 "[ . 1 . 2]" 1
556 1 33 ASN H 1 34 TYR QE . . 5.500 4.036 3.982 4.058 . 0 0 "[ . 1 . 2]" 1
557 1 33 ASN HA 1 33 ASN QD . . 4.510 3.677 2.163 3.861 . 0 0 "[ . 1 . 2]" 1
558 1 33 ASN HA 1 33 ASN HD22 . . 5.330 4.492 3.778 4.617 . 0 0 "[ . 1 . 2]" 1
559 1 33 ASN HA 1 34 TYR H . . 3.090 2.926 2.903 2.963 . 0 0 "[ . 1 . 2]" 1
560 1 33 ASN HA 1 34 TYR HA . . 5.410 4.412 4.406 4.421 . 0 0 "[ . 1 . 2]" 1
561 1 33 ASN HA 1 34 TYR QD . . 5.100 4.111 4.077 4.157 . 0 0 "[ . 1 . 2]" 1
562 1 33 ASN HA 1 34 TYR QE . . 5.500 5.529 5.486 5.551 0.051 20 0 "[ . 1 . 2]" 1
563 1 33 ASN HB2 1 34 TYR H . . 4.250 4.083 4.041 4.110 . 0 0 "[ . 1 . 2]" 1
564 1 33 ASN HB2 1 34 TYR QD . . 4.380 2.830 2.787 2.865 . 0 0 "[ . 1 . 2]" 1
565 1 33 ASN HB2 1 34 TYR QE . . 4.710 2.962 2.899 3.012 . 0 0 "[ . 1 . 2]" 1
566 1 33 ASN HB2 1 44 ASN H . . 5.500 5.381 5.028 5.503 0.003 20 0 "[ . 1 . 2]" 1
567 1 33 ASN HB3 1 33 ASN QD . . 3.450 3.249 2.691 3.310 . 0 0 "[ . 1 . 2]" 1
568 1 33 ASN HB3 1 34 TYR H . . 5.380 4.522 4.466 4.564 . 0 0 "[ . 1 . 2]" 1
569 1 33 ASN HB3 1 34 TYR QD . . 4.480 4.178 4.029 4.288 . 0 0 "[ . 1 . 2]" 1
570 1 33 ASN HB3 1 34 TYR QE . . 4.580 4.524 4.370 4.605 0.025 16 0 "[ . 1 . 2]" 1
571 1 34 TYR H 1 34 TYR HB2 . . 4.000 2.672 2.648 2.689 . 0 0 "[ . 1 . 2]" 1
572 1 34 TYR H 1 34 TYR HB3 . . 4.000 3.789 3.776 3.802 . 0 0 "[ . 1 . 2]" 1
573 1 34 TYR H 1 34 TYR QD . . 3.510 2.835 2.777 2.883 . 0 0 "[ . 1 . 2]" 1
574 1 34 TYR H 1 34 TYR QE . . 5.100 5.081 5.020 5.113 0.013 20 0 "[ . 1 . 2]" 1
575 1 34 TYR H 1 35 LYS H . . 5.180 3.900 3.463 4.189 . 0 0 "[ . 1 . 2]" 1
576 1 34 TYR H 1 43 GLU HA . . 5.500 5.042 4.837 5.189 . 0 0 "[ . 1 . 2]" 1
577 1 34 TYR HA 1 34 TYR QD . . 3.630 3.128 3.119 3.141 . 0 0 "[ . 1 . 2]" 1
578 1 34 TYR HA 1 34 TYR QE . . 4.790 4.653 4.641 4.672 . 0 0 "[ . 1 . 2]" 1
579 1 34 TYR HA 1 35 LYS QB . . 5.320 4.576 4.375 4.751 . 0 0 "[ . 1 . 2]" 1
580 1 34 TYR HA 1 41 CYS HA . . 5.500 5.438 5.205 5.537 0.037 19 0 "[ . 1 . 2]" 1
581 1 34 TYR HA 1 42 VAL MG2 . . 5.200 3.611 3.410 3.854 . 0 0 "[ . 1 . 2]" 1
582 1 34 TYR HA 1 43 GLU HA . . 3.260 2.780 2.488 2.980 . 0 0 "[ . 1 . 2]" 1
583 1 34 TYR HA 1 43 GLU QB . . 5.500 4.636 4.248 4.908 . 0 0 "[ . 1 . 2]" 1
584 1 34 TYR HA 1 44 ASN H . . 5.040 2.574 2.504 2.636 . 0 0 "[ . 1 . 2]" 1
585 1 34 TYR HB2 1 35 LYS H . . 4.900 4.471 4.351 4.536 . 0 0 "[ . 1 . 2]" 1
586 1 34 TYR HB2 1 41 CYS HA . . 4.920 4.763 4.443 4.870 . 0 0 "[ . 1 . 2]" 1
587 1 34 TYR HB2 1 42 VAL H . . 5.170 4.232 3.979 4.427 . 0 0 "[ . 1 . 2]" 1
588 1 34 TYR HB2 1 43 GLU HA . . 4.960 4.857 4.718 4.935 . 0 0 "[ . 1 . 2]" 1
589 1 34 TYR HB2 1 44 ASN H . . 5.500 5.533 5.497 5.571 0.071 15 0 "[ . 1 . 2]" 1
590 1 34 TYR HB3 1 41 CYS HA . . 4.990 3.325 3.031 3.433 . 0 0 "[ . 1 . 2]" 1
591 1 34 TYR HB3 1 42 VAL H . . 3.950 2.473 2.219 2.673 . 0 0 "[ . 1 . 2]" 1
592 1 34 TYR QD 1 35 LYS H . . 4.870 4.694 4.489 4.876 0.006 5 0 "[ . 1 . 2]" 1
593 1 34 TYR QD 1 41 CYS HA . . 4.930 3.462 3.374 3.574 . 0 0 "[ . 1 . 2]" 1
594 1 34 TYR QD 1 41 CYS HB2 . . 4.680 3.332 3.092 3.515 . 0 0 "[ . 1 . 2]" 1
595 1 34 TYR QD 1 41 CYS HB3 . . 4.660 2.023 1.984 2.165 . 0 0 "[ . 1 . 2]" 1
596 1 34 TYR QD 1 42 VAL H . . 4.270 2.400 2.259 2.510 . 0 0 "[ . 1 . 2]" 1
597 1 34 TYR QD 1 42 VAL HA . . 3.760 3.370 3.294 3.553 . 0 0 "[ . 1 . 2]" 1
598 1 34 TYR QD 1 42 VAL HB . . 5.360 5.058 4.933 5.176 . 0 0 "[ . 1 . 2]" 1
599 1 34 TYR QD 1 42 VAL MG1 . . 5.010 4.606 4.533 4.741 . 0 0 "[ . 1 . 2]" 1
600 1 34 TYR QD 1 42 VAL MG2 . . 5.070 3.976 3.761 4.116 . 0 0 "[ . 1 . 2]" 1
601 1 34 TYR QD 1 43 GLU H . . 4.020 3.274 3.089 3.358 . 0 0 "[ . 1 . 2]" 1
602 1 34 TYR QD 1 43 GLU HA . . 3.650 3.303 3.243 3.406 . 0 0 "[ . 1 . 2]" 1
603 1 34 TYR QD 1 43 GLU QB . . 4.040 3.741 3.610 3.902 . 0 0 "[ . 1 . 2]" 1
604 1 34 TYR QD 1 43 GLU QG . . 4.550 4.228 3.627 4.594 0.044 4 0 "[ . 1 . 2]" 1
605 1 34 TYR QD 1 44 ASN H . . 4.570 4.498 4.418 4.582 0.012 10 0 "[ . 1 . 2]" 1
606 1 34 TYR QE 1 42 VAL H . . 5.500 4.573 4.459 4.698 . 0 0 "[ . 1 . 2]" 1
607 1 34 TYR QE 1 42 VAL HA . . 4.370 4.068 3.884 4.379 0.009 5 0 "[ . 1 . 2]" 1
608 1 34 TYR QE 1 43 GLU H . . 4.370 3.060 2.902 3.271 . 0 0 "[ . 1 . 2]" 1
609 1 34 TYR QE 1 43 GLU HA . . 4.080 3.563 3.414 3.737 . 0 0 "[ . 1 . 2]" 1
610 1 34 TYR QE 1 43 GLU QB . . 3.520 2.603 2.366 2.833 . 0 0 "[ . 1 . 2]" 1
611 1 34 TYR QE 1 43 GLU HG2 . . 4.330 3.688 3.051 4.315 . 0 0 "[ . 1 . 2]" 1
612 1 34 TYR QE 1 43 GLU QG . . 3.770 3.154 2.630 3.407 . 0 0 "[ . 1 . 2]" 1
613 1 34 TYR QE 1 43 GLU HG3 . . 4.330 3.822 2.659 4.354 0.024 10 0 "[ . 1 . 2]" 1
614 1 34 TYR QE 1 44 ASN H . . 5.500 5.362 5.235 5.522 0.022 10 0 "[ . 1 . 2]" 1
615 1 35 LYS H 1 35 LYS QB . . 3.330 2.664 2.478 2.959 . 0 0 "[ . 1 . 2]" 1
616 1 35 LYS H 1 35 LYS QG . . 3.480 2.070 1.901 2.294 . 0 0 "[ . 1 . 2]" 1
617 1 35 LYS H 1 36 GLN H . . 4.750 3.935 2.577 4.304 . 0 0 "[ . 1 . 2]" 1
618 1 35 LYS H 1 43 GLU HA . . 4.840 4.435 4.008 4.734 . 0 0 "[ . 1 . 2]" 1
619 1 35 LYS H 1 44 ASN H . . 4.990 3.016 2.771 3.254 . 0 0 "[ . 1 . 2]" 1
620 1 35 LYS H 1 44 ASN HB2 . . 5.380 5.240 4.878 5.396 0.016 13 0 "[ . 1 . 2]" 1
621 1 35 LYS HA 1 35 LYS QD . . 4.780 3.977 2.256 4.492 . 0 0 "[ . 1 . 2]" 1
622 1 35 LYS HA 1 35 LYS QG . . 3.710 2.948 2.341 3.336 . 0 0 "[ . 1 . 2]" 1
623 1 35 LYS QB 1 35 LYS QE . . 4.300 2.178 1.946 3.025 . 0 0 "[ . 1 . 2]" 1
624 1 35 LYS QB 1 36 GLN H . . 3.760 3.600 2.888 3.775 0.015 14 0 "[ . 1 . 2]" 1
625 1 35 LYS QB 1 44 ASN HA . . 5.500 4.430 3.997 4.810 . 0 0 "[ . 1 . 2]" 1
626 1 35 LYS QB 1 44 ASN QD . . 5.110 4.940 4.059 5.146 0.036 20 0 "[ . 1 . 2]" 1
627 1 35 LYS QB 1 45 PRO QD . . 4.490 3.217 2.253 4.093 . 0 0 "[ . 1 . 2]" 1
628 1 35 LYS QD 1 44 ASN HA . . 4.220 3.716 2.897 4.260 0.040 10 0 "[ . 1 . 2]" 1
629 1 35 LYS QD 1 44 ASN QD . . 4.760 3.590 2.854 4.559 . 0 0 "[ . 1 . 2]" 1
630 1 35 LYS QE 1 35 LYS QG . . 3.290 2.339 2.065 2.805 . 0 0 "[ . 1 . 2]" 1
631 1 35 LYS QE 1 42 VAL MG2 . . 5.260 4.363 2.558 5.271 0.011 1 0 "[ . 1 . 2]" 1
632 1 35 LYS QG 1 36 GLN H . . 4.720 4.374 2.567 4.807 0.087 10 0 "[ . 1 . 2]" 1
633 1 35 LYS QG 1 42 VAL MG2 . . 4.170 3.171 1.918 4.193 0.023 16 0 "[ . 1 . 2]" 1
634 1 35 LYS QG 1 44 ASN H . . 5.350 3.427 3.163 3.676 . 0 0 "[ . 1 . 2]" 1
635 1 35 LYS QG 1 44 ASN HA . . 3.870 2.842 2.569 3.273 . 0 0 "[ . 1 . 2]" 1
636 1 35 LYS QG 1 44 ASN HB2 . . 4.550 4.504 4.290 4.575 0.025 20 0 "[ . 1 . 2]" 1
637 1 35 LYS QG 1 44 ASN HD21 . . 5.500 3.627 2.684 4.013 . 0 0 "[ . 1 . 2]" 1
638 1 35 LYS QG 1 44 ASN HD22 . . 5.500 5.004 3.822 5.502 0.002 1 0 "[ . 1 . 2]" 1
639 1 36 GLN H 1 36 GLN QB . . 2.900 2.256 2.075 2.962 0.062 19 0 "[ . 1 . 2]" 1
640 1 36 GLN H 1 36 GLN HG2 . . 4.800 4.486 4.303 4.656 . 0 0 "[ . 1 . 2]" 1
641 1 36 GLN H 1 36 GLN QG . . 4.230 3.888 3.687 4.133 . 0 0 "[ . 1 . 2]" 1
642 1 36 GLN H 1 36 GLN HG3 . . 4.800 4.281 3.957 4.822 0.022 11 0 "[ . 1 . 2]" 1
643 1 36 GLN H 1 41 CYS HA . . 5.300 4.945 3.726 5.311 0.011 20 0 "[ . 1 . 2]" 1
644 1 36 GLN HA 1 36 GLN HG2 . . 3.560 2.816 2.260 3.601 0.041 1 0 "[ . 1 . 2]" 1
645 1 36 GLN HA 1 36 GLN QG . . 2.890 2.364 2.138 2.703 . 0 0 "[ . 1 . 2]" 1
646 1 36 GLN HA 1 36 GLN HG3 . . 3.560 2.675 2.165 3.190 . 0 0 "[ . 1 . 2]" 1
647 1 36 GLN HA 1 41 CYS HA . . 3.780 3.359 2.475 3.722 . 0 0 "[ . 1 . 2]" 1
648 1 36 GLN HA 1 42 VAL MG2 . . 3.680 2.855 1.970 3.435 . 0 0 "[ . 1 . 2]" 1
649 1 36 GLN QB 1 36 GLN HE22 . . 4.850 4.033 3.229 4.448 . 0 0 "[ . 1 . 2]" 1
650 1 36 GLN QB 1 37 GLU H . . 4.250 3.777 3.277 4.009 . 0 0 "[ . 1 . 2]" 1
651 1 36 GLN QB 1 38 GLY H . . 5.070 4.810 4.469 5.078 0.008 19 0 "[ . 1 . 2]" 1
652 1 36 GLN QB 1 41 CYS HA . . 5.110 4.493 3.444 5.031 . 0 0 "[ . 1 . 2]" 1
653 1 36 GLN QE 1 36 GLN QG . . 3.100 2.192 2.066 2.502 . 0 0 "[ . 1 . 2]" 1
654 1 36 GLN QE 1 37 GLU H . . 5.340 4.817 3.610 5.333 . 0 0 "[ . 1 . 2]" 1
655 1 36 GLN QE 1 38 GLY H . . 5.340 4.417 3.176 5.269 . 0 0 "[ . 1 . 2]" 1
656 1 36 GLN QE 1 39 ASP HA . . 5.340 3.211 2.112 5.248 . 0 0 "[ . 1 . 2]" 1
657 1 36 GLN HE21 1 40 LYS H . . 5.500 3.493 2.593 4.865 . 0 0 "[ . 1 . 2]" 1
658 1 36 GLN HE22 1 40 LYS H . . 5.500 4.835 3.122 5.505 0.005 14 0 "[ . 1 . 2]" 1
659 1 36 GLN QG 1 37 GLU H . . 4.270 3.038 1.945 3.475 . 0 0 "[ . 1 . 2]" 1
660 1 36 GLN QG 1 38 GLY H . . 4.460 3.302 2.606 3.867 . 0 0 "[ . 1 . 2]" 1
661 1 36 GLN QG 1 38 GLY HA2 . . 4.800 4.410 3.878 4.807 0.007 15 0 "[ . 1 . 2]" 1
662 1 36 GLN QG 1 39 ASP H . . 5.110 4.647 2.921 5.114 0.004 12 0 "[ . 1 . 2]" 1
663 1 36 GLN QG 1 41 CYS HA . . 4.720 3.778 2.546 4.700 . 0 0 "[ . 1 . 2]" 1
664 1 36 GLN QG 1 42 VAL MG2 . . 4.820 4.384 3.709 4.828 0.008 17 0 "[ . 1 . 2]" 1
665 1 36 GLN HG2 1 37 GLU H . . 5.110 3.425 1.958 5.033 . 0 0 "[ . 1 . 2]" 1
666 1 36 GLN HG2 1 41 CYS HA . . 5.450 4.863 3.530 5.466 0.016 15 0 "[ . 1 . 2]" 1
667 1 36 GLN HG3 1 37 GLU H . . 5.110 3.902 3.367 4.944 . 0 0 "[ . 1 . 2]" 1
668 1 36 GLN HG3 1 41 CYS HA . . 5.450 4.002 2.612 5.130 . 0 0 "[ . 1 . 2]" 1
669 1 37 GLU H 1 37 GLU QB . . 3.120 2.335 2.180 2.551 . 0 0 "[ . 1 . 2]" 1
670 1 37 GLU H 1 38 GLY H . . 3.300 2.405 1.913 3.053 . 0 0 "[ . 1 . 2]" 1
671 1 37 GLU H 1 40 LYS H . . 4.210 4.090 3.218 4.226 0.016 11 0 "[ . 1 . 2]" 1
672 1 37 GLU H 1 40 LYS QG . . 4.650 4.099 3.150 4.659 0.009 15 0 "[ . 1 . 2]" 1
673 1 37 GLU H 1 42 VAL MG1 . . 4.900 3.646 2.626 4.258 . 0 0 "[ . 1 . 2]" 1
674 1 37 GLU H 1 42 VAL MG2 . . 4.470 2.660 1.914 3.189 . 0 0 "[ . 1 . 2]" 1
675 1 37 GLU HA 1 37 GLU QG . . 3.380 2.511 2.182 3.102 . 0 0 "[ . 1 . 2]" 1
676 1 37 GLU HA 1 38 GLY HA3 . . 5.500 5.046 4.819 5.151 . 0 0 "[ . 1 . 2]" 1
677 1 37 GLU HA 1 42 VAL MG1 . . 5.480 5.329 4.162 5.514 0.034 20 0 "[ . 1 . 2]" 1
678 1 37 GLU HA 1 42 VAL MG2 . . 4.710 4.185 3.304 4.602 . 0 0 "[ . 1 . 2]" 1
679 1 37 GLU QB 1 38 GLY H . . 4.010 2.432 2.033 2.892 . 0 0 "[ . 1 . 2]" 1
680 1 37 GLU QB 1 42 VAL MG1 . . 4.190 3.034 2.024 3.354 . 0 0 "[ . 1 . 2]" 1
681 1 37 GLU QB 1 42 VAL MG2 . . 3.320 2.652 2.184 3.091 . 0 0 "[ . 1 . 2]" 1
682 1 37 GLU HB2 1 38 GLY H . . 4.640 3.576 2.573 4.022 . 0 0 "[ . 1 . 2]" 1
683 1 37 GLU HB2 1 42 VAL MG2 . . 3.790 2.766 2.201 3.333 . 0 0 "[ . 1 . 2]" 1
684 1 37 GLU HB3 1 38 GLY H . . 4.640 2.561 2.054 3.413 . 0 0 "[ . 1 . 2]" 1
685 1 37 GLU HB3 1 42 VAL MG2 . . 3.790 3.543 3.018 3.824 0.034 15 0 "[ . 1 . 2]" 1
686 1 37 GLU QG 1 38 GLY H . . 4.230 3.666 2.921 4.251 0.021 15 0 "[ . 1 . 2]" 1
687 1 38 GLY H 1 39 ASP H . . 4.000 3.078 2.298 3.609 . 0 0 "[ . 1 . 2]" 1
688 1 38 GLY H 1 40 LYS QG . . 4.780 3.381 2.246 4.045 . 0 0 "[ . 1 . 2]" 1
689 1 38 GLY HA2 1 39 ASP HA . . 5.500 4.535 4.389 4.602 . 0 0 "[ . 1 . 2]" 1
690 1 38 GLY HA2 1 40 LYS H . . 4.890 4.698 3.996 4.891 0.001 18 0 "[ . 1 . 2]" 1
691 1 38 GLY HA3 1 39 ASP H . . 3.530 2.416 2.148 3.566 0.036 20 0 "[ . 1 . 2]" 1
692 1 38 GLY HA3 1 39 ASP HA . . 5.500 4.505 4.386 5.356 . 0 0 "[ . 1 . 2]" 1
693 1 38 GLY HA3 1 39 ASP QB . . 4.300 4.160 3.826 4.311 0.011 11 0 "[ . 1 . 2]" 1
694 1 38 GLY HA3 1 40 LYS H . . 4.800 4.253 3.937 4.820 0.020 20 0 "[ . 1 . 2]" 1
695 1 39 ASP H 1 39 ASP QB . . 3.190 2.679 2.405 3.204 0.014 20 0 "[ . 1 . 2]" 1
696 1 39 ASP H 1 40 LYS H . . 3.400 2.672 2.171 3.064 . 0 0 "[ . 1 . 2]" 1
697 1 39 ASP H 1 40 LYS QE . . 5.500 5.447 5.203 5.582 0.082 19 0 "[ . 1 . 2]" 1
698 1 39 ASP H 1 40 LYS QG . . 4.240 2.900 2.650 3.964 . 0 0 "[ . 1 . 2]" 1
699 1 39 ASP HA 1 39 ASP QB . . 2.790 2.392 2.184 2.492 . 0 0 "[ . 1 . 2]" 1
700 1 39 ASP QB 1 40 LYS H . . 4.180 3.887 3.667 4.052 . 0 0 "[ . 1 . 2]" 1
701 1 40 LYS H 1 40 LYS HB2 . . 4.190 3.943 3.838 4.033 . 0 0 "[ . 1 . 2]" 1
702 1 40 LYS H 1 40 LYS HB3 . . 3.670 3.626 3.515 3.757 0.087 19 0 "[ . 1 . 2]" 1
703 1 40 LYS H 1 40 LYS QD . . 4.770 4.584 4.368 4.740 . 0 0 "[ . 1 . 2]" 1
704 1 40 LYS H 1 40 LYS QG . . 3.550 2.599 2.398 2.779 . 0 0 "[ . 1 . 2]" 1
705 1 40 LYS H 1 42 VAL MG1 . . 5.270 5.020 4.516 5.326 0.056 19 0 "[ . 1 . 2]" 1
706 1 40 LYS HA 1 40 LYS QD . . 4.620 4.418 4.316 4.488 . 0 0 "[ . 1 . 2]" 1
707 1 40 LYS HA 1 40 LYS QG . . 3.390 3.321 3.293 3.335 . 0 0 "[ . 1 . 2]" 1
708 1 40 LYS HB2 1 40 LYS QE . . 3.180 2.404 2.068 2.975 . 0 0 "[ . 1 . 2]" 1
709 1 40 LYS HB2 1 41 CYS H . . 3.480 2.406 1.950 2.715 . 0 0 "[ . 1 . 2]" 1
710 1 40 LYS HB2 1 41 CYS HA . . 5.070 4.587 4.351 4.753 . 0 0 "[ . 1 . 2]" 1
711 1 40 LYS HB3 1 40 LYS QE . . 4.160 3.618 3.400 3.975 . 0 0 "[ . 1 . 2]" 1
712 1 40 LYS HB3 1 41 CYS H . . 3.740 3.613 3.316 3.750 0.010 10 0 "[ . 1 . 2]" 1
713 1 40 LYS QE 1 41 CYS HA . . 4.680 4.632 4.480 4.714 0.034 20 0 "[ . 1 . 2]" 1
714 1 40 LYS QE 1 42 VAL MG1 . . 5.500 1.955 1.802 2.144 . 0 0 "[ . 1 . 2]" 1
715 1 40 LYS QG 1 41 CYS H . . 4.110 3.882 3.507 4.107 . 0 0 "[ . 1 . 2]" 1
716 1 40 LYS QG 1 41 CYS HA . . 5.500 4.609 4.362 4.816 . 0 0 "[ . 1 . 2]" 1
717 1 40 LYS QG 1 42 VAL H . . 5.500 5.411 5.244 5.539 0.039 19 0 "[ . 1 . 2]" 1
718 1 40 LYS QG 1 42 VAL MG2 . . 4.610 4.252 3.886 4.628 0.018 19 0 "[ . 1 . 2]" 1
719 1 41 CYS H 1 41 CYS HB2 . . 3.670 2.485 2.404 2.555 . 0 0 "[ . 1 . 2]" 1
720 1 41 CYS H 1 41 CYS HB3 . . 3.700 3.641 3.592 3.707 0.007 20 0 "[ . 1 . 2]" 1
721 1 41 CYS H 1 42 VAL H . . 4.830 4.559 4.491 4.610 . 0 0 "[ . 1 . 2]" 1
722 1 41 CYS H 1 42 VAL MG1 . . 4.680 4.419 4.023 4.616 . 0 0 "[ . 1 . 2]" 1
723 1 41 CYS H 1 42 VAL MG2 . . 5.300 5.184 4.783 5.352 0.052 19 0 "[ . 1 . 2]" 1
724 1 41 CYS HA 1 42 VAL H . . 2.760 2.217 2.175 2.274 . 0 0 "[ . 1 . 2]" 1
725 1 41 CYS HA 1 42 VAL MG1 . . 4.380 3.972 3.837 4.084 . 0 0 "[ . 1 . 2]" 1
726 1 41 CYS HA 1 42 VAL MG2 . . 3.840 3.373 3.258 3.540 . 0 0 "[ . 1 . 2]" 1
727 1 41 CYS HB2 1 42 VAL H . . 4.010 4.005 3.914 4.079 0.069 19 0 "[ . 1 . 2]" 1
728 1 41 CYS HB2 1 43 GLU H . . 5.500 5.519 5.480 5.584 0.084 20 0 "[ . 1 . 2]" 1
729 1 41 CYS HB3 1 42 VAL H . . 3.770 2.962 2.769 3.139 . 0 0 "[ . 1 . 2]" 1
730 1 42 VAL H 1 42 VAL HB . . 4.000 3.799 3.726 3.887 . 0 0 "[ . 1 . 2]" 1
731 1 42 VAL H 1 42 VAL MG1 . . 3.790 3.292 3.108 3.401 . 0 0 "[ . 1 . 2]" 1
732 1 42 VAL H 1 42 VAL MG2 . . 3.300 2.125 1.916 2.282 . 0 0 "[ . 1 . 2]" 1
733 1 42 VAL H 1 43 GLU H . . 4.280 4.039 3.831 4.206 . 0 0 "[ . 1 . 2]" 1
734 1 42 VAL H 1 43 GLU HA . . 5.280 4.607 4.427 4.796 . 0 0 "[ . 1 . 2]" 1
735 1 42 VAL HA 1 42 VAL MG1 . . 3.340 2.198 2.113 2.296 . 0 0 "[ . 1 . 2]" 1
736 1 42 VAL HA 1 45 PRO QD . . 5.500 4.209 3.898 4.751 . 0 0 "[ . 1 . 2]" 1
737 1 42 VAL HB 1 43 GLU H . . 3.700 3.618 3.542 3.719 0.019 10 0 "[ . 1 . 2]" 1
738 1 42 VAL HB 1 44 ASN H . . 5.090 4.348 4.101 4.667 . 0 0 "[ . 1 . 2]" 1
739 1 42 VAL HB 1 44 ASN HA . . 5.500 5.061 4.823 5.460 . 0 0 "[ . 1 . 2]" 1
740 1 42 VAL HB 1 45 PRO QD . . 3.810 2.334 1.983 3.135 . 0 0 "[ . 1 . 2]" 1
741 1 42 VAL MG1 1 43 GLU H . . 4.000 3.934 3.858 4.006 0.006 2 0 "[ . 1 . 2]" 1
742 1 42 VAL MG1 1 45 PRO QB . . 4.320 2.885 2.593 3.166 . 0 0 "[ . 1 . 2]" 1
743 1 42 VAL MG2 1 43 GLU H . . 4.440 4.233 4.184 4.270 . 0 0 "[ . 1 . 2]" 1
744 1 42 VAL MG2 1 44 ASN H . . 5.500 3.766 3.584 4.030 . 0 0 "[ . 1 . 2]" 1
745 1 42 VAL MG2 1 44 ASN HA . . 5.500 4.398 4.119 4.684 . 0 0 "[ . 1 . 2]" 1
746 1 42 VAL MG2 1 45 PRO QB . . 4.160 2.994 1.984 3.446 . 0 0 "[ . 1 . 2]" 1
747 1 42 VAL MG2 1 45 PRO QG . . 3.710 1.924 1.884 1.969 . 0 0 "[ . 1 . 2]" 1
748 1 42 VAL MG2 1 46 ASN H . . 5.500 5.019 4.760 5.252 . 0 0 "[ . 1 . 2]" 1
749 1 43 GLU H 1 43 GLU QB . . 3.100 2.472 2.166 2.670 . 0 0 "[ . 1 . 2]" 1
750 1 43 GLU H 1 43 GLU QG . . 4.310 2.775 1.966 3.941 . 0 0 "[ . 1 . 2]" 1
751 1 43 GLU H 1 44 ASN H . . 4.730 4.076 3.960 4.196 . 0 0 "[ . 1 . 2]" 1
752 1 43 GLU HA 1 43 GLU HG2 . . 4.170 3.476 2.176 4.048 . 0 0 "[ . 1 . 2]" 1
753 1 43 GLU HA 1 43 GLU QG . . 3.410 2.926 2.155 3.337 . 0 0 "[ . 1 . 2]" 1
754 1 43 GLU HA 1 43 GLU HG3 . . 4.170 3.258 2.377 3.634 . 0 0 "[ . 1 . 2]" 1
755 1 43 GLU HA 1 44 ASN H . . 3.010 2.288 2.227 2.351 . 0 0 "[ . 1 . 2]" 1
756 1 43 GLU QB 1 44 ASN H . . 4.030 3.880 3.708 4.019 . 0 0 "[ . 1 . 2]" 1
757 1 43 GLU QG 1 44 ASN H . . 4.390 4.158 3.476 4.454 0.064 10 0 "[ . 1 . 2]" 1
758 1 44 ASN H 1 44 ASN HB2 . . 3.600 3.080 2.919 3.196 . 0 0 "[ . 1 . 2]" 1
759 1 44 ASN H 1 44 ASN HB3 . . 3.850 3.490 3.426 3.810 . 0 0 "[ . 1 . 2]" 1
760 1 44 ASN H 1 44 ASN QD . . 5.130 4.110 3.457 4.322 . 0 0 "[ . 1 . 2]" 1
761 1 44 ASN H 1 45 PRO QD . . 4.570 2.609 2.527 2.709 . 0 0 "[ . 1 . 2]" 1
762 1 44 ASN HA 1 45 PRO QD . . 2.950 2.002 1.947 2.055 . 0 0 "[ . 1 . 2]" 1
763 1 44 ASN HA 1 45 PRO QG . . 3.960 3.891 3.849 3.931 . 0 0 "[ . 1 . 2]" 1
764 1 44 ASN HA 1 46 ASN H . . 5.500 3.402 3.132 3.833 . 0 0 "[ . 1 . 2]" 1
765 1 44 ASN HB2 1 45 PRO QD . . 4.770 4.176 4.120 4.300 . 0 0 "[ . 1 . 2]" 1
766 1 44 ASN HB3 1 45 PRO HA . . 5.500 5.205 4.916 5.308 . 0 0 "[ . 1 . 2]" 1
767 1 44 ASN HB3 1 45 PRO QD . . 4.520 4.373 4.313 4.390 . 0 0 "[ . 1 . 2]" 1
768 1 44 ASN QD 1 45 PRO QD . . 4.840 3.242 3.081 3.444 . 0 0 "[ . 1 . 2]" 1
769 1 44 ASN QD 1 47 PRO HA . . 4.720 2.934 2.299 4.382 . 0 0 "[ . 1 . 2]" 1
770 1 44 ASN QD 1 47 PRO QB . . 5.180 4.087 1.926 4.730 . 0 0 "[ . 1 . 2]" 1
771 1 44 ASN QD 1 47 PRO QD . . 5.340 4.071 3.583 4.916 . 0 0 "[ . 1 . 2]" 1
772 1 44 ASN HD21 1 45 PRO QD . . 5.500 3.321 3.142 3.550 . 0 0 "[ . 1 . 2]" 1
773 1 44 ASN HD21 1 47 PRO HA . . 5.500 4.354 3.919 5.169 . 0 0 "[ . 1 . 2]" 1
774 1 44 ASN HD22 1 45 PRO QD . . 5.500 4.547 4.376 4.685 . 0 0 "[ . 1 . 2]" 1
775 1 44 ASN HD22 1 47 PRO HA . . 5.500 3.004 2.315 4.734 . 0 0 "[ . 1 . 2]" 1
776 1 45 PRO QB 1 46 ASN H . . 3.670 3.250 2.843 3.557 . 0 0 "[ . 1 . 2]" 1
777 1 45 PRO QD 1 46 ASN H . . 4.140 2.662 2.602 2.752 . 0 0 "[ . 1 . 2]" 1
778 1 45 PRO QG 1 46 ASN H . . 3.590 2.456 1.929 2.933 . 0 0 "[ . 1 . 2]" 1
779 1 45 PRO QG 1 46 ASN QD . . 5.340 4.190 2.814 5.296 . 0 0 "[ . 1 . 2]" 1
780 1 46 ASN H 1 46 ASN HB2 . . 4.160 2.889 2.434 3.946 . 0 0 "[ . 1 . 2]" 1
781 1 46 ASN H 1 46 ASN QB . . 3.540 2.706 2.397 3.449 . 0 0 "[ . 1 . 2]" 1
782 1 46 ASN H 1 46 ASN HB3 . . 4.160 3.538 2.757 3.812 . 0 0 "[ . 1 . 2]" 1
783 1 46 ASN HA 1 47 PRO QD . . 3.230 2.098 1.949 2.156 . 0 0 "[ . 1 . 2]" 1
784 1 46 ASN HA 1 47 PRO QG . . 5.140 3.993 3.851 4.073 . 0 0 "[ . 1 . 2]" 1
785 1 46 ASN HA 1 48 THR H . . 5.330 4.126 3.164 5.330 . 0 0 "[ . 1 . 2]" 1
786 1 46 ASN QB 1 47 PRO QD . . 3.880 2.972 1.936 3.830 . 0 0 "[ . 1 . 2]" 1
787 1 46 ASN HB2 1 47 PRO QD . . 4.650 3.777 1.979 4.373 . 0 0 "[ . 1 . 2]" 1
788 1 46 ASN HB3 1 47 PRO QD . . 4.650 3.292 1.985 4.346 . 0 0 "[ . 1 . 2]" 1
789 1 46 ASN QD 1 47 PRO QD . . 5.340 4.163 1.858 5.316 . 0 0 "[ . 1 . 2]" 1
790 1 47 PRO QD 1 48 THR H . . 5.500 3.030 2.601 4.730 . 0 0 "[ . 1 . 2]" 1
791 1 47 PRO QD 1 48 THR MG . . 5.500 4.326 3.056 5.429 . 0 0 "[ . 1 . 2]" 1
792 1 47 PRO QG 1 48 THR H . . 5.170 2.758 1.952 4.749 . 0 0 "[ . 1 . 2]" 1
793 1 48 THR H 1 48 THR MG . . 4.520 2.710 1.913 3.781 . 0 0 "[ . 1 . 2]" 1
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