NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446428 |
2kmo   |
16436 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kmo
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 9
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 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 4 CYS SG 1 29 CYS SG . . 2.100 2.032 2.027 2.038 . 0 0 "[ . 1 . 2]" 1
2 1 4 CYS SG 1 29 CYS CB . . 3.100 3.031 2.995 3.063 . 0 0 "[ . 1 . 2]" 1
3 1 4 CYS CB 1 29 CYS SG . . 3.100 3.028 2.997 3.051 . 0 0 "[ . 1 . 2]" 1
4 1 6 CYS SG 1 25 CYS SG . . 2.100 2.045 2.043 2.047 . 0 0 "[ . 1 . 2]" 1
5 1 6 CYS SG 1 25 CYS CB . . 3.100 3.065 3.058 3.071 . 0 0 "[ . 1 . 2]" 1
6 1 6 CYS CB 1 25 CYS SG . . 3.100 3.060 3.042 3.071 . 0 0 "[ . 1 . 2]" 1
7 1 14 CYS SG 1 40 CYS SG . . 2.100 2.027 2.023 2.032 . 0 0 "[ . 1 . 2]" 1
8 1 14 CYS SG 1 40 CYS CB . . 3.100 3.015 3.000 3.030 . 0 0 "[ . 1 . 2]" 1
9 1 14 CYS CB 1 40 CYS SG . . 3.100 3.027 3.008 3.039 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 714
_Distance_constraint_stats_list.Viol_count 1154
_Distance_constraint_stats_list.Viol_total 1391.796
_Distance_constraint_stats_list.Viol_max 0.444
_Distance_constraint_stats_list.Viol_rms 0.0220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.153 0.153 6 0 "[ . 1 . 2]"
1 2 LYS 0.153 0.153 6 0 "[ . 1 . 2]"
1 3 VAL 1.814 0.198 6 0 "[ . 1 . 2]"
1 4 CYS 1.393 0.137 7 0 "[ . 1 . 2]"
1 5 ALA 0.223 0.065 4 0 "[ . 1 . 2]"
1 6 CYS 6.655 0.155 16 0 "[ . 1 . 2]"
1 7 PRO 4.829 0.155 16 0 "[ . 1 . 2]"
1 8 LYS 4.213 0.172 4 0 "[ . 1 . 2]"
1 9 ILE 9.000 0.282 5 0 "[ . 1 . 2]"
1 10 LEU 2.828 0.167 8 0 "[ . 1 . 2]"
1 11 LYS 1.834 0.122 13 0 "[ . 1 . 2]"
1 12 PRO 0.530 0.055 20 0 "[ . 1 . 2]"
1 13 VAL 1.561 0.098 15 0 "[ . 1 . 2]"
1 14 CYS 2.863 0.104 10 0 "[ . 1 . 2]"
1 15 GLY 0.738 0.072 7 0 "[ . 1 . 2]"
1 16 SER 1.753 0.110 16 0 "[ . 1 . 2]"
1 17 ASP 0.786 0.068 7 0 "[ . 1 . 2]"
1 18 GLY 4.748 0.131 15 0 "[ . 1 . 2]"
1 19 ARG 2.847 0.119 6 0 "[ . 1 . 2]"
1 20 THR 3.528 0.131 15 0 "[ . 1 . 2]"
1 21 TYR 5.247 0.111 6 0 "[ . 1 . 2]"
1 22 ALA 1.577 0.097 16 0 "[ . 1 . 2]"
1 23 ASN 4.324 0.152 8 0 "[ . 1 . 2]"
1 24 SER 5.604 0.444 11 0 "[ . 1 . 2]"
1 25 CYS 3.120 0.132 13 0 "[ . 1 . 2]"
1 26 ILE 15.242 0.214 15 0 "[ . 1 . 2]"
1 27 ALA 6.896 0.214 15 0 "[ . 1 . 2]"
1 28 ARG 2.753 0.181 20 0 "[ . 1 . 2]"
1 29 CYS 4.711 0.252 7 0 "[ . 1 . 2]"
1 30 ASN 1.758 0.172 11 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 6.136 0.444 11 0 "[ . 1 . 2]"
1 33 SER 2.617 0.242 19 0 "[ . 1 . 2]"
1 34 ILE 3.505 0.242 19 0 "[ . 1 . 2]"
1 35 LYS 1.616 0.150 20 0 "[ . 1 . 2]"
1 36 SER 1.200 0.099 2 0 "[ . 1 . 2]"
1 37 GLU 1.324 0.096 6 0 "[ . 1 . 2]"
1 38 GLY 1.142 0.098 15 0 "[ . 1 . 2]"
1 39 SER 1.899 0.094 4 0 "[ . 1 . 2]"
1 40 CYS 2.403 0.094 4 0 "[ . 1 . 2]"
1 41 PRO 1.257 0.104 10 0 "[ . 1 . 2]"
1 42 THR 1.080 0.110 11 0 "[ . 1 . 2]"
1 43 GLY 0.942 0.110 11 0 "[ . 1 . 2]"
1 44 ILE 0.818 0.133 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 GLY H 1 21 TYR H . . 4.680 4.715 4.694 4.752 0.072 7 0 "[ . 1 . 2]" 2
2 1 15 GLY H 1 17 ASP H . . 6.000 5.015 4.855 5.127 . 0 0 "[ . 1 . 2]" 2
3 1 15 GLY H 1 20 THR HA . . 3.850 3.458 3.130 3.741 . 0 0 "[ . 1 . 2]" 2
4 1 14 CYS HB2 1 15 GLY H . . 5.000 4.348 4.263 4.411 . 0 0 "[ . 1 . 2]" 2
5 1 14 CYS HB3 1 15 GLY H . . 4.760 4.385 4.292 4.432 . 0 0 "[ . 1 . 2]" 2
6 1 24 SER H 1 25 CYS H . . 3.450 2.830 2.612 3.229 . 0 0 "[ . 1 . 2]" 2
7 1 24 SER H 1 26 ILE H . . 5.170 4.605 4.310 4.920 . 0 0 "[ . 1 . 2]" 2
8 1 23 ASN HA 1 24 SER H . . 3.160 2.625 2.551 2.696 . 0 0 "[ . 1 . 2]" 2
9 1 16 SER H 1 35 LYS H . . 4.250 4.020 3.479 4.260 0.010 2 0 "[ . 1 . 2]" 2
10 1 14 CYS H 1 35 LYS H . . 5.420 4.436 4.151 4.983 . 0 0 "[ . 1 . 2]" 2
11 1 34 ILE H 1 35 LYS H . . 4.810 4.431 3.346 4.616 . 0 0 "[ . 1 . 2]" 2
12 1 34 ILE HB 1 35 LYS H . . 4.280 3.200 2.739 4.409 0.129 19 0 "[ . 1 . 2]" 2
13 1 20 THR HA 1 21 TYR H . . 2.700 2.182 2.108 2.260 . 0 0 "[ . 1 . 2]" 2
14 1 21 TYR H 1 39 SER HA . . 4.980 4.954 4.787 5.054 0.074 18 0 "[ . 1 . 2]" 2
15 1 20 THR HB 1 21 TYR H . . 4.810 4.137 3.916 4.354 . 0 0 "[ . 1 . 2]" 2
16 1 21 TYR H 1 21 TYR HB2 . . 3.760 2.963 2.886 3.068 . 0 0 "[ . 1 . 2]" 2
17 1 15 GLY H 1 16 SER H . . 4.710 4.648 4.620 4.675 . 0 0 "[ . 1 . 2]" 2
18 1 16 SER H 1 18 GLY H . . 5.540 4.222 4.112 4.370 . 0 0 "[ . 1 . 2]" 2
19 1 16 SER H 1 17 ASP H . . 3.690 2.859 2.786 2.959 . 0 0 "[ . 1 . 2]" 2
20 1 16 SER H 1 33 SER H . . 4.180 3.606 3.301 3.896 . 0 0 "[ . 1 . 2]" 2
21 1 16 SER H 1 32 VAL HA . . 5.110 5.069 4.535 5.177 0.067 20 0 "[ . 1 . 2]" 2
22 1 15 GLY HA3 1 16 SER H . . 3.490 2.808 2.759 2.916 . 0 0 "[ . 1 . 2]" 2
23 1 16 SER H 1 34 ILE HA . . 4.120 3.424 3.108 4.159 0.039 19 0 "[ . 1 . 2]" 2
24 1 21 TYR H 1 22 ALA H . . 4.780 4.461 4.431 4.524 . 0 0 "[ . 1 . 2]" 2
25 1 22 ALA H 1 23 ASN H . . 3.560 2.958 2.706 3.035 . 0 0 "[ . 1 . 2]" 2
26 1 21 TYR HA 1 22 ALA H . . 3.360 2.552 2.512 2.629 . 0 0 "[ . 1 . 2]" 2
27 1 21 TYR HB3 1 22 ALA H . . 4.220 2.479 2.353 2.641 . 0 0 "[ . 1 . 2]" 2
28 1 21 TYR HB2 1 22 ALA H . . 4.220 2.987 2.859 3.110 . 0 0 "[ . 1 . 2]" 2
29 1 10 LEU HA 1 11 LYS H . . 3.260 2.302 2.215 2.415 . 0 0 "[ . 1 . 2]" 2
30 1 11 LYS H 1 22 ALA HA . . 4.710 4.746 4.667 4.777 0.067 5 0 "[ . 1 . 2]" 2
31 1 11 LYS H 1 11 LYS HB2 . . 3.690 2.986 2.576 3.368 . 0 0 "[ . 1 . 2]" 2
32 1 14 CYS H 1 36 SER H . . 3.670 3.310 3.159 3.518 . 0 0 "[ . 1 . 2]" 2
33 1 13 VAL HA 1 14 CYS H . . 3.440 2.328 2.244 2.493 . 0 0 "[ . 1 . 2]" 2
34 1 14 CYS H 1 37 GLU HA . . 3.930 3.435 3.166 3.676 . 0 0 "[ . 1 . 2]" 2
35 1 13 VAL HB 1 14 CYS H . . 2.840 2.626 2.348 2.805 . 0 0 "[ . 1 . 2]" 2
36 1 14 CYS H 1 15 GLY H . . 5.040 4.361 4.179 4.445 . 0 0 "[ . 1 . 2]" 2
37 1 4 CYS HB3 1 5 ALA H . . 3.920 3.412 2.847 3.985 0.065 4 0 "[ . 1 . 2]" 2
38 1 14 CYS H 1 14 CYS HB2 . . 3.000 2.939 2.856 3.048 0.048 7 0 "[ . 1 . 2]" 2
39 1 4 CYS H 1 5 ALA H . . 4.680 4.512 4.188 4.667 . 0 0 "[ . 1 . 2]" 2
40 1 14 CYS H 1 37 GLU H . . 4.680 4.733 4.675 4.776 0.096 6 0 "[ . 1 . 2]" 2
41 1 4 CYS HA 1 5 ALA H . . 2.760 2.211 2.109 2.279 . 0 0 "[ . 1 . 2]" 2
42 1 8 LYS H 1 9 ILE H . . 3.660 2.683 2.593 2.789 . 0 0 "[ . 1 . 2]" 2
43 1 7 PRO HA 1 8 LYS H . . 2.830 2.327 2.289 2.367 . 0 0 "[ . 1 . 2]" 2
44 1 1 LYS HA 1 2 LYS H . . 3.390 2.557 2.151 3.543 0.153 6 0 "[ . 1 . 2]" 2
45 1 2 LYS H 1 2 LYS HB3 . . 4.150 3.517 2.504 4.013 . 0 0 "[ . 1 . 2]" 2
46 1 2 LYS H 1 2 LYS HB2 . . 4.150 2.997 2.333 4.061 . 0 0 "[ . 1 . 2]" 2
47 1 9 ILE HA 1 10 LEU H . . 3.030 2.039 1.913 2.224 . 0 0 "[ . 1 . 2]" 2
48 1 10 LEU H 1 11 LYS H . . 4.480 3.972 3.694 4.193 . 0 0 "[ . 1 . 2]" 2
49 1 36 SER H 1 37 GLU H . . 4.810 4.385 4.351 4.429 . 0 0 "[ . 1 . 2]" 2
50 1 36 SER HA 1 37 GLU H . . 3.130 2.422 2.305 2.538 . 0 0 "[ . 1 . 2]" 2
51 1 36 SER HB3 1 37 GLU H . . 3.790 3.106 2.393 3.744 . 0 0 "[ . 1 . 2]" 2
52 1 3 VAL HB 1 4 CYS H . . 3.830 3.649 2.323 3.933 0.103 17 0 "[ . 1 . 2]" 2
53 1 3 VAL HA 1 4 CYS H . . 3.060 2.484 2.149 3.197 0.137 7 0 "[ . 1 . 2]" 2
54 1 33 SER HA 1 34 ILE H . . 2.930 2.371 2.187 3.172 0.242 19 0 "[ . 1 . 2]" 2
55 1 33 SER HB3 1 34 ILE H . . 3.660 3.224 2.380 3.839 0.179 19 0 "[ . 1 . 2]" 2
56 1 27 ALA H 1 29 CYS H . . 4.460 4.164 3.980 4.246 . 0 0 "[ . 1 . 2]" 2
57 1 25 CYS HA 1 29 CYS H . . 4.890 4.495 4.270 4.856 . 0 0 "[ . 1 . 2]" 2
58 1 29 CYS H 1 30 ASN HB2 . . 6.220 4.199 4.039 4.266 . 0 0 "[ . 1 . 2]" 2
59 1 27 ALA HA 1 29 CYS H . . 4.950 4.339 3.998 4.448 . 0 0 "[ . 1 . 2]" 2
60 1 29 CYS H 1 30 ASN HB3 . . 5.420 5.501 5.450 5.592 0.172 11 0 "[ . 1 . 2]" 2
61 1 28 ARG HB2 1 29 CYS H . . 4.210 2.986 2.664 3.961 . 0 0 "[ . 1 . 2]" 2
62 1 21 TYR H 1 40 CYS H . . 6.340 5.764 5.559 5.902 . 0 0 "[ . 1 . 2]" 2
63 1 13 VAL H 1 40 CYS H . . 5.890 5.771 5.448 5.956 0.066 5 0 "[ . 1 . 2]" 2
64 1 20 THR H 1 40 CYS H . . 5.890 5.042 4.778 5.343 . 0 0 "[ . 1 . 2]" 2
65 1 39 SER H 1 40 CYS H . . 4.800 4.636 4.603 4.664 . 0 0 "[ . 1 . 2]" 2
66 1 14 CYS HA 1 40 CYS H . . 4.490 3.779 3.304 4.296 . 0 0 "[ . 1 . 2]" 2
67 1 20 THR HA 1 40 CYS H . . 4.160 4.034 3.767 4.206 0.046 7 0 "[ . 1 . 2]" 2
68 1 39 SER HB2 1 40 CYS H . . 3.890 3.550 2.692 3.962 0.072 9 0 "[ . 1 . 2]" 2
69 1 39 SER HB3 1 40 CYS H . . 3.730 3.542 3.015 3.824 0.094 4 0 "[ . 1 . 2]" 2
70 1 2 LYS H 1 3 VAL H . . 5.500 4.213 2.982 4.613 . 0 0 "[ . 1 . 2]" 2
71 1 3 VAL H 1 4 CYS H . . 4.800 3.931 1.908 4.663 . 0 0 "[ . 1 . 2]" 2
72 1 2 LYS HA 1 3 VAL H . . 2.770 2.309 2.088 2.626 . 0 0 "[ . 1 . 2]" 2
73 1 3 VAL H 1 3 VAL HB . . 3.330 2.912 2.536 3.528 0.198 6 0 "[ . 1 . 2]" 2
74 1 2 LYS HB3 1 3 VAL H . . 4.610 3.595 2.243 4.460 . 0 0 "[ . 1 . 2]" 2
75 1 2 LYS HB2 1 3 VAL H . . 4.610 3.784 2.188 4.607 . 0 0 "[ . 1 . 2]" 2
76 1 15 GLY H 1 18 GLY H . . 6.000 4.064 3.833 4.231 . 0 0 "[ . 1 . 2]" 2
77 1 18 GLY H 1 19 ARG HA . . 5.170 5.061 4.997 5.144 . 0 0 "[ . 1 . 2]" 2
78 1 16 SER HA 1 18 GLY H . . 4.020 3.893 3.747 4.041 0.021 17 0 "[ . 1 . 2]" 2
79 1 42 THR H 1 43 GLY H . . 3.950 2.768 2.132 3.826 . 0 0 "[ . 1 . 2]" 2
80 1 43 GLY H 1 44 ILE H . . 4.250 2.945 2.076 4.191 . 0 0 "[ . 1 . 2]" 2
81 1 42 THR HB 1 43 GLY H . . 4.220 3.973 3.171 4.283 0.063 7 0 "[ . 1 . 2]" 2
82 1 43 GLY H 1 44 ILE HB . . 5.700 4.717 3.794 5.615 . 0 0 "[ . 1 . 2]" 2
83 1 13 VAL H 1 20 THR HA . . 4.120 3.964 3.887 4.041 . 0 0 "[ . 1 . 2]" 2
84 1 19 ARG HA 1 20 THR H . . 2.830 2.227 2.183 2.294 . 0 0 "[ . 1 . 2]" 2
85 1 20 THR H 1 20 THR HB . . 3.130 2.689 2.469 3.091 . 0 0 "[ . 1 . 2]" 2
86 1 19 ARG HB2 1 20 THR H . . 4.050 4.002 3.912 4.069 0.019 20 0 "[ . 1 . 2]" 2
87 1 19 ARG HB3 1 20 THR H . . 4.050 3.540 3.433 3.662 . 0 0 "[ . 1 . 2]" 2
88 1 13 VAL H 1 21 TYR H . . 3.490 2.956 2.784 3.126 . 0 0 "[ . 1 . 2]" 2
89 1 13 VAL H 1 38 GLY H . . 4.450 4.507 4.467 4.548 0.098 15 0 "[ . 1 . 2]" 2
90 1 13 VAL H 1 23 ASN H . . 5.240 5.214 5.075 5.271 0.031 8 0 "[ . 1 . 2]" 2
91 1 12 PRO HA 1 13 VAL H . . 2.800 2.328 2.272 2.381 . 0 0 "[ . 1 . 2]" 2
92 1 13 VAL H 1 14 CYS H . . 4.580 4.417 4.351 4.458 . 0 0 "[ . 1 . 2]" 2
93 1 25 CYS H 1 26 ILE H . . 3.220 2.726 1.976 2.890 . 0 0 "[ . 1 . 2]" 2
94 1 26 ILE H 1 28 ARG H . . 4.880 4.266 4.123 4.383 . 0 0 "[ . 1 . 2]" 2
95 1 23 ASN H 1 26 ILE H . . 4.180 3.481 3.389 3.770 . 0 0 "[ . 1 . 2]" 2
96 1 23 ASN HA 1 26 ILE H . . 6.000 5.067 4.956 5.186 . 0 0 "[ . 1 . 2]" 2
97 1 42 THR H 1 43 GLY QA . . 5.960 4.598 4.107 4.815 . 0 0 "[ . 1 . 2]" 2
98 1 26 ILE H 1 27 ALA HA . . 4.910 5.076 5.031 5.124 0.214 15 0 "[ . 1 . 2]" 2
99 1 26 ILE H 1 26 ILE HB . . 3.690 2.391 2.323 2.468 . 0 0 "[ . 1 . 2]" 2
100 1 41 PRO HA 1 42 THR H . . 2.930 2.261 2.137 2.411 . 0 0 "[ . 1 . 2]" 2
101 1 41 PRO HB2 1 42 THR H . . 4.350 3.155 2.570 4.215 . 0 0 "[ . 1 . 2]" 2
102 1 17 ASP H 1 18 GLY H . . 3.230 2.513 2.475 2.554 . 0 0 "[ . 1 . 2]" 2
103 1 17 ASP H 1 19 ARG H . . 4.180 3.814 3.519 4.038 . 0 0 "[ . 1 . 2]" 2
104 1 15 GLY HA3 1 17 ASP H . . 4.180 3.280 3.192 3.342 . 0 0 "[ . 1 . 2]" 2
105 1 16 SER QB 1 17 ASP H . . 6.880 3.063 2.753 3.655 . 0 0 "[ . 1 . 2]" 2
106 1 17 ASP H 1 18 GLY HA3 . . 5.240 5.277 5.215 5.308 0.068 7 0 "[ . 1 . 2]" 2
107 1 33 SER H 1 34 ILE H . . 4.840 4.458 2.485 4.642 . 0 0 "[ . 1 . 2]" 2
108 1 32 VAL H 1 33 SER H . . 4.550 4.514 4.441 4.587 0.037 19 0 "[ . 1 . 2]" 2
109 1 32 VAL HB 1 33 SER H . . 3.490 3.149 2.529 3.602 0.112 19 0 "[ . 1 . 2]" 2
110 1 14 CYS H 1 38 GLY H . . 4.860 4.338 4.101 4.558 . 0 0 "[ . 1 . 2]" 2
111 1 37 GLU H 1 38 GLY H . . 4.980 4.637 4.591 4.674 . 0 0 "[ . 1 . 2]" 2
112 1 38 GLY H 1 39 SER H . . 4.510 4.353 4.190 4.436 . 0 0 "[ . 1 . 2]" 2
113 1 25 CYS H 1 27 ALA H . . 4.540 4.095 3.277 4.351 . 0 0 "[ . 1 . 2]" 2
114 1 23 ASN HA 1 25 CYS H . . 5.120 4.565 4.226 4.678 . 0 0 "[ . 1 . 2]" 2
115 1 13 VAL HA 1 38 GLY H . . 3.360 2.472 2.253 2.588 . 0 0 "[ . 1 . 2]" 2
116 1 37 GLU HA 1 38 GLY H . . 3.330 2.339 2.266 2.383 . 0 0 "[ . 1 . 2]" 2
117 1 25 CYS H 1 26 ILE HA . . 5.550 5.340 4.682 5.478 . 0 0 "[ . 1 . 2]" 2
118 1 25 CYS H 1 25 CYS HB2 . . 3.630 2.627 2.501 3.196 . 0 0 "[ . 1 . 2]" 2
119 1 25 CYS H 1 26 ILE HB . . 5.610 4.944 4.229 5.134 . 0 0 "[ . 1 . 2]" 2
120 1 44 ILE H 1 44 ILE HB . . 4.020 2.765 2.265 3.510 . 0 0 "[ . 1 . 2]" 2
121 1 29 CYS H 1 31 GLY H . . 4.560 4.050 3.671 4.233 . 0 0 "[ . 1 . 2]" 2
122 1 30 ASN H 1 31 GLY H . . 3.330 2.791 2.599 2.904 . 0 0 "[ . 1 . 2]" 2
123 1 31 GLY H 1 32 VAL H . . 3.820 2.473 2.327 2.556 . 0 0 "[ . 1 . 2]" 2
124 1 29 CYS HA 1 31 GLY H . . 4.350 3.566 3.263 3.843 . 0 0 "[ . 1 . 2]" 2
125 1 30 ASN HB2 1 31 GLY H . . 4.550 3.816 3.361 3.942 . 0 0 "[ . 1 . 2]" 2
126 1 28 ARG H 1 29 CYS H . . 3.230 2.754 2.624 2.861 . 0 0 "[ . 1 . 2]" 2
127 1 28 ARG H 1 30 ASN H . . 4.510 4.193 3.999 4.268 . 0 0 "[ . 1 . 2]" 2
128 1 25 CYS HA 1 28 ARG H . . 4.150 3.990 3.722 4.139 . 0 0 "[ . 1 . 2]" 2
129 1 28 ARG H 1 29 CYS HA . . 6.500 5.423 5.348 5.478 . 0 0 "[ . 1 . 2]" 2
130 1 26 ILE HA 1 28 ARG H . . 5.640 4.644 4.479 4.710 . 0 0 "[ . 1 . 2]" 2
131 1 5 ALA H 1 6 CYS H . . 4.420 4.248 3.871 4.373 . 0 0 "[ . 1 . 2]" 2
132 1 4 CYS HA 1 6 CYS H . . 5.650 5.378 4.876 5.542 . 0 0 "[ . 1 . 2]" 2
133 1 5 ALA HA 1 6 CYS H . . 3.300 2.233 2.195 2.349 . 0 0 "[ . 1 . 2]" 2
134 1 4 CYS HB3 1 6 CYS H . . 6.100 4.829 4.286 5.403 . 0 0 "[ . 1 . 2]" 2
135 1 6 CYS H 1 6 CYS HB3 . . 3.630 3.685 3.672 3.704 0.074 15 0 "[ . 1 . 2]" 2
136 1 4 CYS HB2 1 6 CYS H . . 6.260 5.308 4.082 6.199 . 0 0 "[ . 1 . 2]" 2
137 1 39 SER H 1 39 SER HB3 . . 3.660 3.002 2.489 3.646 . 0 0 "[ . 1 . 2]" 2
138 1 38 GLY HA3 1 39 SER H . . 3.290 2.786 2.698 2.956 . 0 0 "[ . 1 . 2]" 2
139 1 34 ILE HB 1 36 SER H . . 6.000 3.520 3.044 5.279 . 0 0 "[ . 1 . 2]" 2
140 1 35 LYS H 1 36 SER H . . 3.030 2.258 1.993 2.559 . 0 0 "[ . 1 . 2]" 2
141 1 34 ILE HA 1 36 SER H . . 3.820 3.835 3.468 3.919 0.099 2 0 "[ . 1 . 2]" 2
142 1 36 SER H 1 36 SER HB3 . . 4.150 3.403 3.058 3.987 . 0 0 "[ . 1 . 2]" 2
143 1 19 ARG H 1 20 THR H . . 4.840 4.562 4.533 4.597 . 0 0 "[ . 1 . 2]" 2
144 1 17 ASP HA 1 19 ARG H . . 6.000 4.576 4.436 4.689 . 0 0 "[ . 1 . 2]" 2
145 1 15 GLY H 1 19 ARG H . . 4.320 4.045 3.743 4.304 . 0 0 "[ . 1 . 2]" 2
146 1 18 GLY H 1 19 ARG H . . 3.260 2.378 2.293 2.431 . 0 0 "[ . 1 . 2]" 2
147 1 19 ARG H 1 19 ARG HB3 . . 3.290 2.610 2.454 2.727 . 0 0 "[ . 1 . 2]" 2
148 1 26 ILE HA 1 30 ASN H . . 4.450 4.171 4.054 4.322 . 0 0 "[ . 1 . 2]" 2
149 1 29 CYS H 1 30 ASN H . . 3.240 2.462 2.130 2.530 . 0 0 "[ . 1 . 2]" 2
150 1 29 CYS HB3 1 30 ASN H . . 3.470 2.931 2.799 3.087 . 0 0 "[ . 1 . 2]" 2
151 1 26 ILE H 1 27 ALA H . . 3.360 2.418 2.369 2.482 . 0 0 "[ . 1 . 2]" 2
152 1 27 ALA H 1 28 ARG H . . 3.390 2.942 2.800 3.029 . 0 0 "[ . 1 . 2]" 2
153 1 30 ASN HA 1 32 VAL H . . 4.980 4.918 4.778 4.991 0.011 7 0 "[ . 1 . 2]" 2
154 1 24 SER HA 1 27 ALA H . . 3.890 3.705 3.567 3.973 0.083 15 0 "[ . 1 . 2]" 2
155 1 26 ILE HB 1 27 ALA H . . 3.460 3.622 3.601 3.660 0.200 11 0 "[ . 1 . 2]" 2
156 1 28 ARG HA 1 32 VAL H . . 4.150 3.639 3.140 4.146 . 0 0 "[ . 1 . 2]" 2
157 1 32 VAL H 1 32 VAL HB . . 3.330 3.272 2.648 3.455 0.125 8 0 "[ . 1 . 2]" 2
158 1 23 ASN H 1 24 SER H . . 4.780 4.387 4.371 4.419 . 0 0 "[ . 1 . 2]" 2
159 1 21 TYR H 1 23 ASN H . . 6.000 5.201 5.050 5.313 . 0 0 "[ . 1 . 2]" 2
160 1 11 LYS H 1 23 ASN H . . 5.570 5.594 5.535 5.665 0.095 15 0 "[ . 1 . 2]" 2
161 1 23 ASN H 1 25 CYS H . . 6.500 4.639 3.830 5.124 . 0 0 "[ . 1 . 2]" 2
162 1 23 ASN H 1 27 ALA H . . 4.280 3.748 3.556 4.119 . 0 0 "[ . 1 . 2]" 2
163 1 12 PRO HA 1 23 ASN H . . 4.250 4.244 4.112 4.299 0.049 6 0 "[ . 1 . 2]" 2
164 1 23 ASN H 1 24 SER HA . . 5.040 5.080 5.008 5.099 0.059 11 0 "[ . 1 . 2]" 2
165 1 23 ASN H 1 26 ILE HA . . 6.000 5.566 5.461 5.679 . 0 0 "[ . 1 . 2]" 2
166 1 21 TYR HB3 1 23 ASN H . . 4.120 3.985 3.788 4.145 0.025 14 0 "[ . 1 . 2]" 2
167 1 7 PRO HA 1 9 ILE H . . 4.810 4.142 3.972 4.299 . 0 0 "[ . 1 . 2]" 2
168 1 8 LYS HA 1 9 ILE H . . 3.130 3.256 3.217 3.302 0.172 4 0 "[ . 1 . 2]" 2
169 1 9 ILE H 1 10 LEU H . . 4.450 4.479 4.356 4.557 0.107 13 0 "[ . 1 . 2]" 2
170 1 14 CYS HA 1 15 GLY H . . 2.790 2.123 2.075 2.176 . 0 0 "[ . 1 . 2]" 2
171 1 14 CYS HA 1 20 THR HA . . 4.270 3.137 2.733 3.467 . 0 0 "[ . 1 . 2]" 2
172 1 41 PRO HA 1 43 GLY H . . 6.000 4.002 3.116 4.860 . 0 0 "[ . 1 . 2]" 2
173 1 32 VAL HA 1 32 VAL HB . . 2.870 2.862 2.731 2.989 0.119 19 0 "[ . 1 . 2]" 2
174 1 42 THR HA 1 43 GLY H . . 3.260 3.122 2.350 3.370 0.110 11 0 "[ . 1 . 2]" 2
175 1 25 CYS HA 1 28 ARG HB2 . . 5.240 3.592 2.788 5.290 0.050 11 0 "[ . 1 . 2]" 2
176 1 25 CYS HA 1 28 ARG HB3 . . 5.240 4.686 4.313 5.039 . 0 0 "[ . 1 . 2]" 2
177 1 42 THR H 1 42 THR HB . . 3.850 3.193 2.482 3.822 . 0 0 "[ . 1 . 2]" 2
178 1 16 SER HA 1 35 LYS H . . 4.510 4.311 4.047 4.520 0.010 16 0 "[ . 1 . 2]" 2
179 1 16 SER HA 1 33 SER H . . 5.540 5.596 5.516 5.650 0.110 16 0 "[ . 1 . 2]" 2
180 1 16 SER HA 1 35 LYS HA . . 5.800 5.133 4.622 5.806 0.006 19 0 "[ . 1 . 2]" 2
181 1 28 ARG HA 1 31 GLY H . . 4.580 3.902 3.423 4.296 . 0 0 "[ . 1 . 2]" 2
182 1 28 ARG HA 1 30 ASN H . . 4.510 4.395 4.249 4.553 0.043 3 0 "[ . 1 . 2]" 2
183 1 23 ASN HA 1 24 SER HA . . 4.580 4.378 4.327 4.474 . 0 0 "[ . 1 . 2]" 2
184 1 24 SER HA 1 26 ILE H . . 4.510 4.470 4.309 4.533 0.023 19 0 "[ . 1 . 2]" 2
185 1 24 SER HA 1 25 CYS H . . 3.660 3.459 2.829 3.558 . 0 0 "[ . 1 . 2]" 2
186 1 34 ILE HA 1 35 LYS H . . 2.900 2.119 2.030 2.184 . 0 0 "[ . 1 . 2]" 2
187 1 34 ILE HA 1 35 LYS HA . . 6.000 4.427 4.333 4.479 . 0 0 "[ . 1 . 2]" 2
188 1 12 PRO HA 1 22 ALA HA . . 3.950 3.845 3.579 3.958 0.008 1 0 "[ . 1 . 2]" 2
189 1 36 SER HB2 1 37 GLU H . . 3.790 3.520 2.301 3.823 0.033 20 0 "[ . 1 . 2]" 2
190 1 36 SER H 1 36 SER HB2 . . 4.150 3.380 2.870 4.079 . 0 0 "[ . 1 . 2]" 2
191 1 33 SER HB2 1 34 ILE H . . 3.660 3.341 2.321 3.751 0.091 20 0 "[ . 1 . 2]" 2
192 1 33 SER H 1 33 SER HB2 . . 3.790 2.996 2.438 3.662 . 0 0 "[ . 1 . 2]" 2
193 1 39 SER H 1 39 SER HB2 . . 3.660 2.961 2.533 3.613 . 0 0 "[ . 1 . 2]" 2
194 1 26 ILE HA 1 29 CYS H . . 3.820 3.492 3.392 3.672 . 0 0 "[ . 1 . 2]" 2
195 1 26 ILE HA 1 29 CYS HB3 . . 3.190 2.806 2.470 3.069 . 0 0 "[ . 1 . 2]" 2
196 1 29 CYS HB2 1 30 ASN H . . 4.240 3.969 3.839 4.065 . 0 0 "[ . 1 . 2]" 2
197 1 26 ILE HA 1 29 CYS HB2 . . 3.820 3.650 3.394 3.848 0.028 8 0 "[ . 1 . 2]" 2
198 1 29 CYS H 1 29 CYS HB2 . . 3.070 2.488 2.329 2.707 . 0 0 "[ . 1 . 2]" 2
199 1 23 ASN HB3 1 24 SER H . . 3.620 3.626 3.236 3.677 0.057 6 0 "[ . 1 . 2]" 2
200 1 29 CYS H 1 29 CYS HB3 . . 3.150 2.554 2.296 2.767 . 0 0 "[ . 1 . 2]" 2
201 1 4 CYS H 1 4 CYS HB3 . . 3.770 3.453 2.663 3.732 . 0 0 "[ . 1 . 2]" 2
202 1 17 ASP H 1 17 ASP HB2 . . 3.850 2.472 2.254 2.630 . 0 0 "[ . 1 . 2]" 2
203 1 40 CYS H 1 40 CYS HB2 . . 3.650 2.222 2.084 2.423 . 0 0 "[ . 1 . 2]" 2
204 1 25 CYS H 1 25 CYS HB3 . . 3.690 2.440 2.382 2.593 . 0 0 "[ . 1 . 2]" 2
205 1 23 ASN HB2 1 24 SER H . . 3.620 2.215 2.102 3.700 0.080 16 0 "[ . 1 . 2]" 2
206 1 4 CYS HB2 1 5 ALA H . . 4.440 4.237 3.836 4.453 0.013 7 0 "[ . 1 . 2]" 2
207 1 4 CYS H 1 4 CYS HB2 . . 3.220 2.493 2.069 3.076 . 0 0 "[ . 1 . 2]" 2
208 1 21 TYR H 1 21 TYR HB3 . . 3.760 3.807 3.722 3.858 0.098 20 0 "[ . 1 . 2]" 2
209 1 27 ALA HA 1 30 ASN H . . 4.320 3.592 3.317 3.751 . 0 0 "[ . 1 . 2]" 2
210 1 17 ASP H 1 17 ASP HB3 . . 3.850 2.822 2.454 3.624 . 0 0 "[ . 1 . 2]" 2
211 1 14 CYS H 1 14 CYS HB3 . . 3.340 2.539 2.456 2.727 . 0 0 "[ . 1 . 2]" 2
212 1 6 CYS H 1 6 CYS HB2 . . 3.800 2.527 2.497 2.556 . 0 0 "[ . 1 . 2]" 2
213 1 40 CYS H 1 40 CYS HB3 . . 3.170 3.197 3.115 3.246 0.076 15 0 "[ . 1 . 2]" 2
214 1 30 ASN HB3 1 31 GLY H . . 4.550 3.727 3.436 4.089 . 0 0 "[ . 1 . 2]" 2
215 1 21 TYR HB2 1 23 ASN H . . 4.120 3.182 2.915 3.317 . 0 0 "[ . 1 . 2]" 2
216 1 37 GLU H 1 37 GLU HB2 . . 3.690 3.194 2.399 3.774 0.084 7 0 "[ . 1 . 2]" 2
217 1 37 GLU HB2 1 38 GLY H . . 4.020 3.086 2.390 3.981 . 0 0 "[ . 1 . 2]" 2
218 1 37 GLU HB3 1 38 GLY H . . 4.020 3.372 2.441 3.956 . 0 0 "[ . 1 . 2]" 2
219 1 28 ARG HB3 1 29 CYS H . . 3.720 3.734 3.572 3.901 0.181 20 0 "[ . 1 . 2]" 2
220 1 41 PRO HB3 1 42 THR H . . 4.350 3.800 3.506 4.400 0.050 19 0 "[ . 1 . 2]" 2
221 1 32 VAL HB 1 34 ILE HA . . 5.370 5.196 4.796 5.413 0.043 7 0 "[ . 1 . 2]" 2
222 1 44 ILE HA 1 44 ILE HB . . 2.870 2.630 2.385 3.003 0.133 2 0 "[ . 1 . 2]" 2
223 1 8 LYS H 1 8 LYS HB2 . . 3.660 2.384 2.194 2.551 . 0 0 "[ . 1 . 2]" 2
224 1 26 ILE HB 1 28 ARG H . . 6.000 5.995 5.877 6.062 0.062 11 0 "[ . 1 . 2]" 2
225 1 22 ALA H 1 26 ILE HB . . 4.380 4.419 4.385 4.477 0.097 16 0 "[ . 1 . 2]" 2
226 1 23 ASN H 1 26 ILE HB . . 3.490 3.548 3.524 3.598 0.108 8 0 "[ . 1 . 2]" 2
227 1 11 LYS H 1 11 LYS HB3 . . 3.690 3.299 2.905 3.812 0.122 13 0 "[ . 1 . 2]" 2
228 1 34 ILE H 1 34 ILE HB . . 3.790 3.656 2.479 3.843 0.053 2 0 "[ . 1 . 2]" 2
229 1 9 ILE HA 1 10 LEU QB . . 5.790 4.204 3.788 4.478 . 0 0 "[ . 1 . 2]" 2
230 1 19 ARG H 1 19 ARG HB2 . . 3.290 2.278 2.212 2.380 . 0 0 "[ . 1 . 2]" 2
231 1 8 LYS H 1 8 LYS HB3 . . 3.660 3.275 2.397 3.641 . 0 0 "[ . 1 . 2]" 2
232 1 9 ILE HB 1 10 LEU H . . 3.790 3.733 2.577 3.957 0.167 8 0 "[ . 1 . 2]" 2
233 1 9 ILE H 1 9 ILE HB . . 3.260 2.910 2.407 3.542 0.282 5 0 "[ . 1 . 2]" 2
234 1 35 LYS H 1 35 LYS HB2 . . 3.330 2.341 2.151 2.610 . 0 0 "[ . 1 . 2]" 2
235 1 35 LYS HB2 1 36 SER H . . 4.020 3.429 2.759 3.963 . 0 0 "[ . 1 . 2]" 2
236 1 35 LYS H 1 35 LYS HB3 . . 3.330 3.129 2.681 3.480 0.150 20 0 "[ . 1 . 2]" 2
237 1 35 LYS HB3 1 36 SER H . . 4.020 3.139 2.880 3.557 . 0 0 "[ . 1 . 2]" 2
238 1 18 GLY H 1 19 ARG HB3 . . 4.610 4.543 4.368 4.629 0.019 9 0 "[ . 1 . 2]" 2
239 1 37 GLU H 1 37 GLU HB3 . . 3.690 3.176 2.725 3.700 0.010 19 0 "[ . 1 . 2]" 2
240 1 13 VAL H 1 23 ASN HA . . 4.780 4.168 3.883 4.804 0.024 16 0 "[ . 1 . 2]" 2
241 1 18 GLY H 1 19 ARG HB2 . . 4.610 4.529 4.417 4.654 0.044 17 0 "[ . 1 . 2]" 2
242 1 24 SER HA 1 28 ARG H . . 4.350 3.799 3.594 4.314 . 0 0 "[ . 1 . 2]" 2
243 1 33 SER H 1 33 SER HB3 . . 3.790 3.379 2.615 3.766 . 0 0 "[ . 1 . 2]" 2
244 1 15 GLY H 1 21 TYR QD . . 8.130 3.989 3.528 4.304 . 0 0 "[ . 1 . 2]" 2
245 1 35 LYS H 1 35 LYS HD2 . . 5.440 4.490 3.366 5.187 . 0 0 "[ . 1 . 2]" 2
246 1 35 LYS H 1 35 LYS HD3 . . 5.440 4.512 2.812 5.321 . 0 0 "[ . 1 . 2]" 2
247 1 21 TYR H 1 21 TYR QE . . 6.880 4.306 4.067 4.522 . 0 0 "[ . 1 . 2]" 2
248 1 21 TYR H 1 26 ILE QG . . 6.880 6.966 6.939 6.991 0.111 6 0 "[ . 1 . 2]" 2
249 1 16 SER H 1 21 TYR QD . . 8.130 6.654 6.407 6.899 . 0 0 "[ . 1 . 2]" 2
250 1 16 SER H 1 35 LYS QG . . 6.880 5.267 3.588 6.432 . 0 0 "[ . 1 . 2]" 2
251 1 22 ALA H 1 26 ILE QG . . 6.320 3.923 3.847 4.270 . 0 0 "[ . 1 . 2]" 2
252 1 11 LYS H 1 12 PRO HD2 . . 5.240 3.892 3.706 4.083 . 0 0 "[ . 1 . 2]" 2
253 1 8 LYS H 1 8 LYS HG3 . . 4.710 3.429 2.371 4.511 . 0 0 "[ . 1 . 2]" 2
254 1 37 GLU H 1 37 GLU HG2 . . 4.650 2.781 1.956 4.236 . 0 0 "[ . 1 . 2]" 2
255 1 37 GLU H 1 37 GLU HG3 . . 4.650 3.156 2.536 3.963 . 0 0 "[ . 1 . 2]" 2
256 1 34 ILE H 1 34 ILE HG12 . . 4.150 3.090 2.235 3.720 . 0 0 "[ . 1 . 2]" 2
257 1 28 ARG HG3 1 29 CYS H . . 5.010 4.309 2.635 5.049 0.039 19 0 "[ . 1 . 2]" 2
258 1 26 ILE QG 1 29 CYS H . . 4.810 4.876 4.827 4.902 0.092 15 0 "[ . 1 . 2]" 2
259 1 20 THR HB 1 40 CYS H . . 5.800 3.705 2.072 4.283 . 0 0 "[ . 1 . 2]" 2
260 1 2 LYS HG3 1 3 VAL H . . 5.410 4.261 1.991 5.320 . 0 0 "[ . 1 . 2]" 2
261 1 2 LYS HG2 1 3 VAL H . . 5.410 4.199 2.281 5.092 . 0 0 "[ . 1 . 2]" 2
262 1 20 THR H 1 21 TYR QE . . 8.130 5.032 4.802 5.162 . 0 0 "[ . 1 . 2]" 2
263 1 6 CYS HB3 1 26 ILE H . . 4.480 4.047 3.846 4.203 . 0 0 "[ . 1 . 2]" 2
264 1 6 CYS HB2 1 26 ILE H . . 5.530 4.651 4.494 4.772 . 0 0 "[ . 1 . 2]" 2
265 1 13 VAL HB 1 38 GLY H . . 5.830 4.548 3.972 4.723 . 0 0 "[ . 1 . 2]" 2
266 1 25 CYS H 1 26 ILE QG . . 6.500 6.484 5.766 6.632 0.132 13 0 "[ . 1 . 2]" 2
267 1 6 CYS H 1 7 PRO HD2 . . 6.500 4.866 4.829 4.941 . 0 0 "[ . 1 . 2]" 2
268 1 28 ARG H 1 28 ARG HG2 . . 4.780 2.559 2.299 3.174 . 0 0 "[ . 1 . 2]" 2
269 1 26 ILE QG 1 28 ARG H . . 6.880 5.757 5.547 5.813 . 0 0 "[ . 1 . 2]" 2
270 1 12 PRO HB3 1 39 SER H . . 6.000 4.936 4.731 5.086 . 0 0 "[ . 1 . 2]" 2
271 1 35 LYS HD2 1 36 SER H . . 6.000 5.404 5.001 6.030 0.030 16 0 "[ . 1 . 2]" 2
272 1 26 ILE QG 1 30 ASN HD21 . . 5.820 2.661 2.328 3.873 . 0 0 "[ . 1 . 2]" 2
273 1 26 ILE HA 1 30 ASN HD21 . . 6.000 4.354 3.482 5.516 . 0 0 "[ . 1 . 2]" 2
274 1 26 ILE QG 1 30 ASN HD22 . . 5.820 3.462 2.420 3.783 . 0 0 "[ . 1 . 2]" 2
275 1 21 TYR QE 1 30 ASN HD22 . . 8.130 5.208 4.196 6.337 . 0 0 "[ . 1 . 2]" 2
276 1 23 ASN H 1 26 ILE QG . . 6.290 4.631 4.462 4.797 . 0 0 "[ . 1 . 2]" 2
277 1 21 TYR QD 1 22 ALA H . . 8.130 4.386 4.274 4.501 . 0 0 "[ . 1 . 2]" 2
278 1 17 ASP H 1 21 TYR QD . . 8.130 7.208 6.959 7.368 . 0 0 "[ . 1 . 2]" 2
279 1 21 TYR QD 1 27 ALA H . . 8.130 4.453 4.346 4.642 . 0 0 "[ . 1 . 2]" 2
280 1 20 THR HA 1 21 TYR QD . . 8.130 3.586 2.944 3.825 . 0 0 "[ . 1 . 2]" 2
281 1 19 ARG HD3 1 21 TYR QD . . 8.130 4.961 3.256 6.994 . 0 0 "[ . 1 . 2]" 2
282 1 19 ARG HD2 1 21 TYR QD . . 8.130 5.333 3.526 6.787 . 0 0 "[ . 1 . 2]" 2
283 1 21 TYR QD 1 27 ALA HA . . 7.630 3.578 3.361 3.885 . 0 0 "[ . 1 . 2]" 2
284 1 19 ARG QG 1 21 TYR QD . . 9.010 3.898 3.364 5.225 . 0 0 "[ . 1 . 2]" 2
285 1 21 TYR QD 1 26 ILE QG . . 9.010 4.457 3.951 4.661 . 0 0 "[ . 1 . 2]" 2
286 1 15 GLY H 1 21 TYR QE . . 7.010 2.744 2.378 2.972 . 0 0 "[ . 1 . 2]" 2
287 1 19 ARG H 1 21 TYR QE . . 8.130 4.785 4.353 4.984 . 0 0 "[ . 1 . 2]" 2
288 1 21 TYR QE 1 30 ASN HD21 . . 8.130 5.476 4.707 6.385 . 0 0 "[ . 1 . 2]" 2
289 1 21 TYR QE 1 27 ALA H . . 8.130 5.770 5.455 6.004 . 0 0 "[ . 1 . 2]" 2
290 1 21 TYR QE 1 32 VAL H . . 8.130 5.806 5.505 6.076 . 0 0 "[ . 1 . 2]" 2
291 1 14 CYS HA 1 21 TYR QE . . 4.540 4.450 4.033 4.571 0.031 9 0 "[ . 1 . 2]" 2
292 1 20 THR HA 1 21 TYR QE . . 7.900 4.238 3.818 4.476 . 0 0 "[ . 1 . 2]" 2
293 1 21 TYR QE 1 26 ILE HA . . 8.130 7.772 7.513 7.982 . 0 0 "[ . 1 . 2]" 2
294 1 21 TYR QE 1 27 ALA HA . . 5.690 4.002 3.754 4.231 . 0 0 "[ . 1 . 2]" 2
295 1 21 TYR QE 1 26 ILE QG . . 8.220 5.945 5.552 6.239 . 0 0 "[ . 1 . 2]" 2
296 1 9 ILE HA 1 10 LEU HG . . 6.000 4.410 3.211 6.158 0.158 20 0 "[ . 1 . 2]" 2
297 1 16 SER HA 1 35 LYS QG . . 5.400 3.515 2.050 4.822 . 0 0 "[ . 1 . 2]" 2
298 1 24 SER HA 1 34 ILE HB . . 6.000 5.487 4.979 5.737 . 0 0 "[ . 1 . 2]" 2
299 1 16 SER QB 1 34 ILE HA . . 6.880 4.637 4.092 5.205 . 0 0 "[ . 1 . 2]" 2
300 1 20 THR HB 1 39 SER HA . . 6.000 3.986 2.462 4.515 . 0 0 "[ . 1 . 2]" 2
301 1 16 SER QB 1 35 LYS QG . . 7.770 4.356 2.472 5.646 . 0 0 "[ . 1 . 2]" 2
302 1 40 CYS HA 1 41 PRO HD2 . . 2.940 2.398 2.306 2.459 . 0 0 "[ . 1 . 2]" 2
303 1 26 ILE HA 1 30 ASN HD22 . . 6.000 5.762 4.609 6.014 0.014 5 0 "[ . 1 . 2]" 2
304 1 40 CYS HA 1 41 PRO HD3 . . 2.980 2.391 2.282 2.481 . 0 0 "[ . 1 . 2]" 2
305 1 6 CYS H 1 7 PRO HD3 . . 4.810 4.919 4.908 4.935 0.125 1 0 "[ . 1 . 2]" 2
306 1 11 LYS HB3 1 23 ASN HB3 . . 6.000 3.901 3.148 6.013 0.013 16 0 "[ . 1 . 2]" 2
307 1 11 LYS H 1 12 PRO HD3 . . 5.240 3.103 2.848 3.332 . 0 0 "[ . 1 . 2]" 2
308 1 11 LYS HB2 1 23 ASN HB3 . . 6.000 4.297 3.134 5.360 . 0 0 "[ . 1 . 2]" 2
309 1 25 CYS HA 1 28 ARG QD . . 6.300 4.561 2.163 5.727 . 0 0 "[ . 1 . 2]" 2
310 1 6 CYS HB3 1 26 ILE QG . . 5.720 5.542 5.424 5.701 . 0 0 "[ . 1 . 2]" 2
311 1 11 LYS HB3 1 23 ASN HB2 . . 6.000 3.520 2.948 5.019 . 0 0 "[ . 1 . 2]" 2
312 1 11 LYS HB2 1 23 ASN HB2 . . 6.000 4.247 3.140 5.088 . 0 0 "[ . 1 . 2]" 2
313 1 26 ILE QG 1 27 ALA HA . . 5.660 4.321 4.058 4.500 . 0 0 "[ . 1 . 2]" 2
314 1 6 CYS HB2 1 26 ILE QG . . 5.490 4.769 4.548 4.916 . 0 0 "[ . 1 . 2]" 2
315 1 13 VAL HB 1 36 SER H . . 6.000 4.435 4.155 4.730 . 0 0 "[ . 1 . 2]" 2
316 1 13 VAL HB 1 37 GLU HA . . 4.880 3.341 2.880 3.664 . 0 0 "[ . 1 . 2]" 2
317 1 13 VAL HB 1 24 SER HA . . 6.000 4.711 4.229 5.328 . 0 0 "[ . 1 . 2]" 2
318 1 6 CYS HA 1 7 PRO HG3 . . 5.940 4.550 4.504 4.581 . 0 0 "[ . 1 . 2]" 2
319 1 6 CYS HA 1 7 PRO HG2 . . 6.110 4.612 4.556 4.697 . 0 0 "[ . 1 . 2]" 2
320 1 12 PRO HB2 1 39 SER H . . 6.000 3.456 3.238 3.591 . 0 0 "[ . 1 . 2]" 2
321 1 17 ASP H 1 32 VAL HB . . 5.930 4.581 4.193 5.954 0.024 19 0 "[ . 1 . 2]" 2
322 1 16 SER H 1 32 VAL HB . . 4.810 3.680 3.243 4.598 . 0 0 "[ . 1 . 2]" 2
323 1 27 ALA HA 1 32 VAL HB . . 5.140 4.927 3.905 5.179 0.039 6 0 "[ . 1 . 2]" 2
324 1 19 ARG HB2 1 21 TYR QE . . 8.130 4.338 4.107 4.685 . 0 0 "[ . 1 . 2]" 2
325 1 28 ARG H 1 28 ARG HG3 . . 4.780 3.071 2.098 3.728 . 0 0 "[ . 1 . 2]" 2
326 1 10 LEU H 1 10 LEU HG . . 4.550 3.046 2.041 4.417 . 0 0 "[ . 1 . 2]" 2
327 1 8 LYS H 1 8 LYS HG2 . . 4.710 3.488 2.347 4.589 . 0 0 "[ . 1 . 2]" 2
328 1 9 ILE H 1 9 ILE HG12 . . 4.580 3.519 2.178 4.649 0.069 8 0 "[ . 1 . 2]" 2
329 1 19 ARG HB3 1 21 TYR QE . . 8.130 3.140 2.936 3.412 . 0 0 "[ . 1 . 2]" 2
330 1 35 LYS HA 1 35 LYS HD2 . . 5.040 2.707 2.168 4.297 . 0 0 "[ . 1 . 2]" 2
331 1 16 SER HA 1 35 LYS HD2 . . 4.880 4.213 2.338 4.955 0.075 8 0 "[ . 1 . 2]" 2
332 1 35 LYS HD3 1 36 SER H . . 6.000 5.649 4.753 6.033 0.033 7 0 "[ . 1 . 2]" 2
333 1 35 LYS HA 1 35 LYS HD3 . . 5.040 3.290 2.143 4.630 . 0 0 "[ . 1 . 2]" 2
334 1 16 SER HA 1 35 LYS HD3 . . 4.880 3.490 2.187 4.698 . 0 0 "[ . 1 . 2]" 2
335 1 19 ARG QG 1 20 THR H . . 6.880 2.172 2.082 2.265 . 0 0 "[ . 1 . 2]" 2
336 1 26 ILE QG 1 27 ALA H . . 6.880 3.975 3.864 4.063 . 0 0 "[ . 1 . 2]" 2
337 1 21 TYR HA 1 26 ILE QG . . 6.880 5.238 5.119 5.421 . 0 0 "[ . 1 . 2]" 2
338 1 9 ILE H 1 9 ILE HG13 . . 4.580 3.185 1.945 4.597 0.017 8 0 "[ . 1 . 2]" 2
339 1 34 ILE H 1 34 ILE HG13 . . 4.150 2.879 2.258 4.260 0.110 19 0 "[ . 1 . 2]" 2
340 1 28 ARG HG2 1 29 CYS H . . 5.460 4.273 2.320 4.932 . 0 0 "[ . 1 . 2]" 2
341 1 15 GLY H 1 20 THR MG . . 7.020 5.348 5.040 5.753 . 0 0 "[ . 1 . 2]" 2
342 1 15 GLY H 1 27 ALA MB . . 6.490 5.007 4.279 5.423 . 0 0 "[ . 1 . 2]" 2
343 1 34 ILE MG 1 35 LYS H . . 7.020 3.825 3.124 4.140 . 0 0 "[ . 1 . 2]" 2
344 1 21 TYR H 1 26 ILE MG . . 6.920 4.660 4.600 4.729 . 0 0 "[ . 1 . 2]" 2
345 1 16 SER H 1 32 VAL MG1 . . 6.230 3.106 2.040 3.849 . 0 0 "[ . 1 . 2]" 2
346 1 16 SER H 1 34 ILE MD . . 7.020 6.190 4.117 6.975 . 0 0 "[ . 1 . 2]" 2
347 1 13 VAL MG1 1 22 ALA H . . 7.020 6.809 6.641 7.020 . 0 0 "[ . 1 . 2]" 2
348 1 22 ALA H 1 26 ILE MG . . 5.900 2.145 2.076 2.197 . 0 0 "[ . 1 . 2]" 2
349 1 13 VAL MG2 1 22 ALA H . . 7.020 5.167 4.862 5.405 . 0 0 "[ . 1 . 2]" 2
350 1 9 ILE MD 1 11 LYS H . . 6.590 4.772 2.616 5.718 . 0 0 "[ . 1 . 2]" 2
351 1 13 VAL MG1 1 14 CYS H . . 3.760 3.756 3.701 3.788 0.028 9 0 "[ . 1 . 2]" 2
352 1 8 LYS H 1 9 ILE MG . . 7.020 4.484 3.487 5.934 . 0 0 "[ . 1 . 2]" 2
353 1 8 LYS H 1 9 ILE MD . . 7.020 5.696 4.621 6.584 . 0 0 "[ . 1 . 2]" 2
354 1 9 ILE MD 1 10 LEU H . . 6.760 4.421 2.083 5.142 . 0 0 "[ . 1 . 2]" 2
355 1 34 ILE MD 1 37 GLU H . . 7.020 4.653 3.815 6.900 . 0 0 "[ . 1 . 2]" 2
356 1 3 VAL MG2 1 4 CYS H . . 5.820 3.721 2.100 4.163 . 0 0 "[ . 1 . 2]" 2
357 1 27 ALA MB 1 29 CYS H . . 4.560 4.440 4.310 4.491 . 0 0 "[ . 1 . 2]" 2
358 1 20 THR MG 1 40 CYS H . . 3.860 3.304 3.012 3.530 . 0 0 "[ . 1 . 2]" 2
359 1 42 THR MG 1 43 GLY H . . 7.020 4.075 2.820 4.437 . 0 0 "[ . 1 . 2]" 2
360 1 22 ALA MB 1 26 ILE H . . 7.020 4.377 4.260 4.919 . 0 0 "[ . 1 . 2]" 2
361 1 32 VAL MG1 1 33 SER H . . 6.130 2.539 2.020 3.229 . 0 0 "[ . 1 . 2]" 2
362 1 32 VAL MG2 1 33 SER H . . 6.130 4.231 3.962 4.418 . 0 0 "[ . 1 . 2]" 2
363 1 25 CYS H 1 34 ILE MG . . 6.220 6.027 5.180 6.308 0.088 15 0 "[ . 1 . 2]" 2
364 1 42 THR MG 1 44 ILE H . . 7.020 5.684 2.577 7.060 0.040 3 0 "[ . 1 . 2]" 2
365 1 31 GLY H 1 32 VAL MG1 . . 7.020 5.611 5.222 5.983 . 0 0 "[ . 1 . 2]" 2
366 1 31 GLY H 1 32 VAL MG2 . . 7.020 3.667 3.508 3.936 . 0 0 "[ . 1 . 2]" 2
367 1 27 ALA MB 1 28 ARG H . . 4.310 2.389 2.282 2.531 . 0 0 "[ . 1 . 2]" 2
368 1 13 VAL MG1 1 36 SER H . . 7.020 5.316 5.042 5.524 . 0 0 "[ . 1 . 2]" 2
369 1 34 ILE MG 1 36 SER H . . 7.020 4.420 2.911 4.885 . 0 0 "[ . 1 . 2]" 2
370 1 13 VAL MG2 1 36 SER H . . 7.020 5.437 5.156 5.728 . 0 0 "[ . 1 . 2]" 2
371 1 19 ARG H 1 32 VAL MG1 . . 7.020 5.230 4.521 5.504 . 0 0 "[ . 1 . 2]" 2
372 1 19 ARG H 1 32 VAL MG2 . . 7.020 5.867 5.240 6.080 . 0 0 "[ . 1 . 2]" 2
373 1 27 ALA MB 1 30 ASN H . . 6.130 4.683 4.558 4.774 . 0 0 "[ . 1 . 2]" 2
374 1 22 ALA MB 1 27 ALA H . . 7.020 5.099 4.974 5.489 . 0 0 "[ . 1 . 2]" 2
375 1 27 ALA H 1 34 ILE MG . . 7.020 5.073 4.569 6.684 . 0 0 "[ . 1 . 2]" 2
376 1 28 ARG HE 1 34 ILE MG . . 7.020 5.839 3.647 7.058 0.038 20 0 "[ . 1 . 2]" 2
377 1 21 TYR QD 1 26 ILE MG . . 7.530 3.364 3.072 3.536 . 0 0 "[ . 1 . 2]" 2
378 1 15 GLY HA3 1 32 VAL MG1 . . 7.020 3.703 2.251 4.439 . 0 0 "[ . 1 . 2]" 2
379 1 20 THR MG 1 39 SER HA . . 4.210 2.454 2.062 3.393 . 0 0 "[ . 1 . 2]" 2
380 1 27 ALA MB 1 28 ARG HA . . 7.020 4.003 3.924 4.174 . 0 0 "[ . 1 . 2]" 2
381 1 24 SER HA 1 34 ILE MG . . 3.920 3.157 2.594 3.782 . 0 0 "[ . 1 . 2]" 2
382 1 34 ILE HA 1 34 ILE MD . . 4.680 3.594 2.103 4.199 . 0 0 "[ . 1 . 2]" 2
383 1 24 SER HA 1 26 ILE MG . . 5.200 4.657 4.498 4.722 . 0 0 "[ . 1 . 2]" 2
384 1 24 SER HA 1 27 ALA MB . . 5.200 2.461 2.255 3.005 . 0 0 "[ . 1 . 2]" 2
385 1 16 SER QB 1 32 VAL MG1 . . 7.900 2.871 2.278 3.941 . 0 0 "[ . 1 . 2]" 2
386 1 16 SER QB 1 32 VAL MG2 . . 7.900 5.107 4.570 5.932 . 0 0 "[ . 1 . 2]" 2
387 1 17 ASP HB2 1 32 VAL MG1 . . 7.020 3.072 2.445 4.016 . 0 0 "[ . 1 . 2]" 2
388 1 9 ILE MG 1 11 LYS QE . . 7.900 5.293 3.453 7.712 . 0 0 "[ . 1 . 2]" 2
389 1 9 ILE MD 1 11 LYS QE . . 7.900 4.502 2.068 7.271 . 0 0 "[ . 1 . 2]" 2
390 1 27 ALA MB 1 30 ASN HB2 . . 7.020 4.267 3.857 4.421 . 0 0 "[ . 1 . 2]" 2
391 1 26 ILE MG 1 27 ALA HA . . 4.840 3.076 2.981 3.139 . 0 0 "[ . 1 . 2]" 2
392 1 17 ASP HB3 1 32 VAL MG2 . . 7.020 4.856 3.354 5.919 . 0 0 "[ . 1 . 2]" 2
393 1 13 VAL HB 1 34 ILE MG . . 5.630 2.662 2.320 3.034 . 0 0 "[ . 1 . 2]" 2
394 1 13 VAL HB 1 34 ILE MD . . 4.350 2.948 2.547 3.347 . 0 0 "[ . 1 . 2]" 2
395 1 32 VAL HB 1 34 ILE MG . . 7.020 4.827 4.224 6.774 . 0 0 "[ . 1 . 2]" 2
396 1 27 ALA MB 1 32 VAL HB . . 5.500 4.062 2.637 4.402 . 0 0 "[ . 1 . 2]" 2
397 1 11 LYS H 1 22 ALA MB . . 7.020 4.612 4.563 4.665 . 0 0 "[ . 1 . 2]" 2
398 1 22 ALA MB 1 23 ASN H . . 5.010 2.475 2.393 2.671 . 0 0 "[ . 1 . 2]" 2
399 1 22 ALA MB 1 23 ASN HA . . 7.020 4.404 4.357 4.446 . 0 0 "[ . 1 . 2]" 2
400 1 21 TYR HA 1 22 ALA MB . . 5.760 4.212 4.153 4.279 . 0 0 "[ . 1 . 2]" 2
401 1 5 ALA MB 1 6 CYS H . . 3.640 3.588 3.526 3.696 0.056 16 0 "[ . 1 . 2]" 2
402 1 4 CYS HA 1 5 ALA MB . . 4.230 4.005 3.945 4.114 . 0 0 "[ . 1 . 2]" 2
403 1 22 ALA MB 1 26 ILE QG . . 7.900 3.628 3.509 4.150 . 0 0 "[ . 1 . 2]" 2
404 1 41 PRO HA 1 42 THR MG . . 7.020 4.597 3.683 5.607 . 0 0 "[ . 1 . 2]" 2
405 1 20 THR MG 1 21 TYR H . . 4.350 2.839 2.454 3.734 . 0 0 "[ . 1 . 2]" 2
406 1 20 THR MG 1 22 ALA H . . 7.020 5.119 4.751 5.953 . 0 0 "[ . 1 . 2]" 2
407 1 13 VAL H 1 20 THR MG . . 5.070 3.355 2.698 4.892 . 0 0 "[ . 1 . 2]" 2
408 1 20 THR MG 1 39 SER H . . 6.950 4.257 3.922 5.234 . 0 0 "[ . 1 . 2]" 2
409 1 20 THR MG 1 21 TYR QE . . 9.150 5.664 5.473 5.845 . 0 0 "[ . 1 . 2]" 2
410 1 14 CYS HA 1 20 THR MG . . 5.000 4.452 3.968 5.036 0.036 20 0 "[ . 1 . 2]" 2
411 1 12 PRO HA 1 20 THR MG . . 5.900 4.203 3.639 5.606 . 0 0 "[ . 1 . 2]" 2
412 1 20 THR MG 1 21 TYR HA . . 5.900 3.674 3.464 4.059 . 0 0 "[ . 1 . 2]" 2
413 1 20 THR MG 1 39 SER HB2 . . 5.240 2.991 2.379 4.031 . 0 0 "[ . 1 . 2]" 2
414 1 20 THR MG 1 39 SER HB3 . . 5.240 2.757 2.088 4.001 . 0 0 "[ . 1 . 2]" 2
415 1 13 VAL MG1 1 20 THR MG . . 8.040 5.571 5.043 6.774 . 0 0 "[ . 1 . 2]" 2
416 1 20 THR MG 1 26 ILE MG . . 8.040 5.751 5.438 6.457 . 0 0 "[ . 1 . 2]" 2
417 1 12 PRO HA 1 13 VAL MG1 . . 7.020 3.506 3.403 3.590 . 0 0 "[ . 1 . 2]" 2
418 1 13 VAL MG1 1 34 ILE MD . . 8.040 2.958 2.317 3.642 . 0 0 "[ . 1 . 2]" 2
419 1 13 VAL MG1 1 23 ASN HA . . 6.360 2.975 2.682 3.520 . 0 0 "[ . 1 . 2]" 2
420 1 13 VAL MG1 1 24 SER HA . . 5.600 3.252 2.631 3.636 . 0 0 "[ . 1 . 2]" 2
421 1 13 VAL H 1 26 ILE MG . . 7.020 5.585 5.396 5.669 . 0 0 "[ . 1 . 2]" 2
422 1 26 ILE MG 1 27 ALA H . . 4.940 2.108 2.046 2.195 . 0 0 "[ . 1 . 2]" 2
423 1 23 ASN H 1 26 ILE MG . . 5.240 1.928 1.705 2.208 . 0 0 "[ . 1 . 2]" 2
424 1 21 TYR QE 1 27 ALA MB . . 7.210 3.040 2.705 3.606 . 0 0 "[ . 1 . 2]" 2
425 1 21 TYR QE 1 32 VAL MG1 . . 9.150 4.112 2.680 4.467 . 0 0 "[ . 1 . 2]" 2
426 1 21 TYR HA 1 26 ILE MG . . 6.590 3.660 3.590 3.764 . 0 0 "[ . 1 . 2]" 2
427 1 27 ALA MB 1 30 ASN HB3 . . 7.020 4.912 4.584 5.377 . 0 0 "[ . 1 . 2]" 2
428 1 22 ALA MB 1 26 ILE MG . . 7.080 2.311 2.223 2.454 . 0 0 "[ . 1 . 2]" 2
429 1 21 TYR QD 1 27 ALA MB . . 8.450 2.391 2.192 2.767 . 0 0 "[ . 1 . 2]" 2
430 1 17 ASP HB3 1 32 VAL MG1 . . 7.020 3.780 2.797 4.728 . 0 0 "[ . 1 . 2]" 2
431 1 9 ILE MG 1 10 LEU QB . . 7.900 4.989 3.806 5.471 . 0 0 "[ . 1 . 2]" 2
432 1 9 ILE MD 1 10 LEU QB . . 7.900 5.629 3.437 6.843 . 0 0 "[ . 1 . 2]" 2
433 1 3 VAL MG1 1 4 CYS H . . 4.310 3.210 2.190 4.330 0.020 2 0 "[ . 1 . 2]" 2
434 1 9 ILE MG 1 10 LEU H . . 6.750 3.530 2.447 4.076 . 0 0 "[ . 1 . 2]" 2
435 1 9 ILE H 1 9 ILE MD . . 5.240 3.959 3.404 4.470 . 0 0 "[ . 1 . 2]" 2
436 1 28 ARG H 1 34 ILE MG . . 7.020 4.476 3.809 6.400 . 0 0 "[ . 1 . 2]" 2
437 1 34 ILE MG 1 36 SER HA . . 7.020 5.763 3.531 6.390 . 0 0 "[ . 1 . 2]" 2
438 1 28 ARG QD 1 34 ILE MG . . 7.900 4.774 3.478 5.637 . 0 0 "[ . 1 . 2]" 2
439 1 34 ILE MD 1 35 LYS H . . 4.910 3.886 3.198 4.755 . 0 0 "[ . 1 . 2]" 2
440 1 14 CYS H 1 34 ILE MD . . 4.200 4.207 4.088 4.247 0.047 7 0 "[ . 1 . 2]" 2
441 1 34 ILE MD 1 38 GLY H . . 7.020 5.744 5.364 6.824 . 0 0 "[ . 1 . 2]" 2
442 1 34 ILE MD 1 36 SER H . . 4.450 3.580 2.888 4.517 0.067 7 0 "[ . 1 . 2]" 2
443 1 13 VAL HA 1 34 ILE MD . . 7.020 4.602 4.244 5.059 . 0 0 "[ . 1 . 2]" 2
444 1 34 ILE MD 1 36 SER HA . . 7.020 3.933 2.780 6.279 . 0 0 "[ . 1 . 2]" 2
445 1 34 ILE MD 1 37 GLU HA . . 6.760 3.957 3.593 5.407 . 0 0 "[ . 1 . 2]" 2
446 1 34 ILE MD 1 35 LYS HA . . 7.020 4.585 3.344 5.846 . 0 0 "[ . 1 . 2]" 2
447 1 13 VAL MG2 1 34 ILE MD . . 8.040 3.427 1.945 4.286 . 0 0 "[ . 1 . 2]" 2
448 1 16 SER H 1 32 VAL MG2 . . 6.230 4.780 4.230 5.031 . 0 0 "[ . 1 . 2]" 2
449 1 21 TYR QE 1 32 VAL MG2 . . 9.150 3.132 2.550 3.465 . 0 0 "[ . 1 . 2]" 2
450 1 15 GLY HA3 1 32 VAL MG2 . . 7.020 4.219 3.673 4.532 . 0 0 "[ . 1 . 2]" 2
451 1 17 ASP HB2 1 32 VAL MG2 . . 7.020 4.458 3.183 5.689 . 0 0 "[ . 1 . 2]" 2
452 1 13 VAL MG2 1 14 CYS H . . 3.810 3.683 3.381 3.839 0.029 9 0 "[ . 1 . 2]" 2
453 1 13 VAL MG2 1 23 ASN HA . . 6.360 3.103 2.762 3.741 . 0 0 "[ . 1 . 2]" 2
454 1 12 PRO HA 1 13 VAL MG2 . . 7.020 3.343 3.223 3.477 . 0 0 "[ . 1 . 2]" 2
455 1 13 VAL MG2 1 24 SER HA . . 5.600 2.492 2.151 3.008 . 0 0 "[ . 1 . 2]" 2
456 1 13 VAL MG2 1 20 THR MG . . 8.040 4.563 4.010 5.773 . 0 0 "[ . 1 . 2]" 2
457 1 27 ALA MB 1 32 VAL H . . 6.560 4.772 4.114 5.127 . 0 0 "[ . 1 . 2]" 2
458 1 2 LYS H 1 2 LYS QG . . 4.980 3.177 2.268 4.339 . 0 0 "[ . 1 . 2]" 2
459 1 3 VAL QG 1 4 CYS H . . 4.310 2.792 2.082 3.778 . 0 0 "[ . 1 . 2]" 2
460 1 3 VAL QG 1 5 ALA H . . 6.900 4.917 3.581 6.118 . 0 0 "[ . 1 . 2]" 2
461 1 3 VAL QG 1 5 ALA MB . . 7.860 5.098 3.295 6.520 . 0 0 "[ . 1 . 2]" 2
462 1 4 CYS H 1 4 CYS QB . . 3.220 2.420 2.049 2.771 . 0 0 "[ . 1 . 2]" 2
463 1 4 CYS QB 1 26 ILE QG . . 5.050 3.950 3.523 4.651 . 0 0 "[ . 1 . 2]" 2
464 1 4 CYS QB 1 29 CYS H . . 6.220 4.845 4.573 5.062 . 0 0 "[ . 1 . 2]" 2
465 1 4 CYS QB 1 29 CYS QB . . 3.790 2.633 2.431 2.747 . 0 0 "[ . 1 . 2]" 2
466 1 4 CYS QB 1 30 ASN QD . . 5.600 4.792 4.226 5.522 . 0 0 "[ . 1 . 2]" 2
467 1 6 CYS H 1 6 CYS QB . . 3.800 2.486 2.458 2.512 . 0 0 "[ . 1 . 2]" 2
468 1 6 CYS HA 1 7 PRO QD . . 3.890 2.112 2.075 2.140 . 0 0 "[ . 1 . 2]" 2
469 1 6 CYS HA 1 25 CYS QB . . 4.400 3.789 3.451 3.962 . 0 0 "[ . 1 . 2]" 2
470 1 6 CYS QB 1 7 PRO QB . . 4.520 4.652 4.637 4.675 0.155 16 0 "[ . 1 . 2]" 2
471 1 6 CYS QB 1 7 PRO QD . . 3.710 2.086 2.023 2.177 . 0 0 "[ . 1 . 2]" 2
472 1 6 CYS QB 1 23 ASN QD . . 4.180 2.761 2.194 3.172 . 0 0 "[ . 1 . 2]" 2
473 1 6 CYS QB 1 25 CYS H . . 4.940 4.699 4.482 4.784 . 0 0 "[ . 1 . 2]" 2
474 1 6 CYS QB 1 25 CYS QB . . 3.940 2.536 2.384 2.586 . 0 0 "[ . 1 . 2]" 2
475 1 6 CYS QB 1 26 ILE MG . . 4.410 4.444 4.416 4.480 0.070 7 0 "[ . 1 . 2]" 2
476 1 7 PRO QB 1 8 LYS H . . 3.630 2.656 2.535 2.876 . 0 0 "[ . 1 . 2]" 2
477 1 7 PRO QB 1 9 ILE H . . 5.190 2.544 2.350 2.693 . 0 0 "[ . 1 . 2]" 2
478 1 7 PRO QB 1 23 ASN QD . . 4.170 4.039 3.671 4.189 0.019 14 0 "[ . 1 . 2]" 2
479 1 7 PRO QB 1 25 CYS QB . . 5.430 5.300 5.126 5.429 . 0 0 "[ . 1 . 2]" 2
480 1 7 PRO QG 1 23 ASN QD . . 5.180 2.307 2.166 2.582 . 0 0 "[ . 1 . 2]" 2
481 1 7 PRO QD 1 23 ASN QD . . 5.170 2.276 2.065 2.462 . 0 0 "[ . 1 . 2]" 2
482 1 7 PRO QD 1 25 CYS QB . . 4.090 2.647 2.405 2.831 . 0 0 "[ . 1 . 2]" 2
483 1 8 LYS H 1 8 LYS QB . . 3.070 2.312 2.106 2.504 . 0 0 "[ . 1 . 2]" 2
484 1 8 LYS H 1 8 LYS QG . . 3.940 2.940 2.297 4.012 0.072 19 0 "[ . 1 . 2]" 2
485 1 8 LYS HA 1 8 LYS QB . . 2.620 2.430 2.346 2.529 . 0 0 "[ . 1 . 2]" 2
486 1 8 LYS QB 1 9 ILE H . . 3.220 3.262 3.216 3.296 0.076 5 0 "[ . 1 . 2]" 2
487 1 8 LYS QG 1 9 ILE HA . . 5.810 5.458 4.354 5.894 0.084 20 0 "[ . 1 . 2]" 2
488 1 9 ILE H 1 23 ASN QB . . 5.810 5.288 4.702 5.479 . 0 0 "[ . 1 . 2]" 2
489 1 9 ILE QG 1 10 LEU H . . 4.610 3.588 2.331 4.565 . 0 0 "[ . 1 . 2]" 2
490 1 9 ILE QG 1 10 LEU QB . . 6.500 5.160 3.843 6.146 . 0 0 "[ . 1 . 2]" 2
491 1 9 ILE QG 1 11 LYS H . . 5.810 4.493 3.399 5.843 0.033 2 0 "[ . 1 . 2]" 2
492 1 9 ILE MD 1 11 LYS QB . . 6.750 3.254 2.229 4.523 . 0 0 "[ . 1 . 2]" 2
493 1 9 ILE MD 1 11 LYS QG . . 5.070 3.939 2.126 5.093 0.023 9 0 "[ . 1 . 2]" 2
494 1 9 ILE MD 1 23 ASN QB . . 5.720 4.124 2.201 5.473 . 0 0 "[ . 1 . 2]" 2
495 1 10 LEU HA 1 12 PRO QD . . 4.700 3.350 3.075 3.643 . 0 0 "[ . 1 . 2]" 2
496 1 10 LEU QD 1 11 LYS H . . 5.210 3.948 3.098 4.551 . 0 0 "[ . 1 . 2]" 2
497 1 10 LEU QD 1 12 PRO QB . . 6.040 5.043 4.035 6.048 0.008 14 0 "[ . 1 . 2]" 2
498 1 10 LEU QD 1 12 PRO QG . . 6.250 4.553 3.052 5.315 . 0 0 "[ . 1 . 2]" 2
499 1 10 LEU QD 1 12 PRO QD . . 5.000 3.617 2.037 4.248 . 0 0 "[ . 1 . 2]" 2
500 1 10 LEU QD 1 22 ALA MB . . 7.860 4.501 3.777 6.160 . 0 0 "[ . 1 . 2]" 2
501 1 11 LYS H 1 11 LYS QB . . 3.140 2.695 2.530 2.958 . 0 0 "[ . 1 . 2]" 2
502 1 11 LYS H 1 12 PRO QD . . 4.490 2.987 2.763 3.191 . 0 0 "[ . 1 . 2]" 2
503 1 11 LYS H 1 23 ASN QB . . 5.810 3.097 2.916 3.718 . 0 0 "[ . 1 . 2]" 2
504 1 11 LYS QB 1 12 PRO QD . . 5.620 3.930 3.860 3.978 . 0 0 "[ . 1 . 2]" 2
505 1 11 LYS QB 1 23 ASN HA . . 4.970 3.807 3.287 4.061 . 0 0 "[ . 1 . 2]" 2
506 1 11 LYS QB 1 23 ASN QB . . 4.380 2.908 2.666 3.754 . 0 0 "[ . 1 . 2]" 2
507 1 11 LYS QB 1 24 SER H . . 5.810 4.271 3.839 4.638 . 0 0 "[ . 1 . 2]" 2
508 1 12 PRO HA 1 13 VAL QG . . 5.830 3.043 2.952 3.145 . 0 0 "[ . 1 . 2]" 2
509 1 12 PRO QB 1 13 VAL QG . . 5.820 3.902 3.857 3.976 . 0 0 "[ . 1 . 2]" 2
510 1 12 PRO QB 1 20 THR MG . . 6.750 2.507 2.124 3.619 . 0 0 "[ . 1 . 2]" 2
511 1 12 PRO QB 1 21 TYR QB . . 5.620 5.172 5.010 5.292 . 0 0 "[ . 1 . 2]" 2
512 1 12 PRO QB 1 21 TYR QD . . 7.770 5.614 5.432 5.769 . 0 0 "[ . 1 . 2]" 2
513 1 12 PRO QB 1 22 ALA HA . . 5.010 3.627 3.361 3.772 . 0 0 "[ . 1 . 2]" 2
514 1 12 PRO QB 1 38 GLY H . . 5.810 4.589 4.410 5.012 . 0 0 "[ . 1 . 2]" 2
515 1 12 PRO QB 1 38 GLY QA . . 5.010 3.759 3.552 4.281 . 0 0 "[ . 1 . 2]" 2
516 1 12 PRO QB 1 39 SER H . . 5.200 3.392 3.185 3.522 . 0 0 "[ . 1 . 2]" 2
517 1 12 PRO QB 1 39 SER QB . . 4.520 3.171 2.307 3.986 . 0 0 "[ . 1 . 2]" 2
518 1 12 PRO QG 1 13 VAL H . . 4.320 4.228 4.143 4.309 . 0 0 "[ . 1 . 2]" 2
519 1 12 PRO QG 1 20 THR MG . . 4.510 3.801 3.466 4.565 0.055 20 0 "[ . 1 . 2]" 2
520 1 12 PRO QG 1 22 ALA HA . . 5.810 5.250 4.946 5.394 . 0 0 "[ . 1 . 2]" 2
521 1 12 PRO QG 1 38 GLY H . . 5.810 4.182 3.917 4.755 . 0 0 "[ . 1 . 2]" 2
522 1 12 PRO QG 1 38 GLY QA . . 4.900 2.676 2.400 3.316 . 0 0 "[ . 1 . 2]" 2
523 1 12 PRO QG 1 39 SER H . . 4.910 2.754 2.575 2.943 . 0 0 "[ . 1 . 2]" 2
524 1 12 PRO QG 1 39 SER HA . . 4.700 4.093 3.791 4.297 . 0 0 "[ . 1 . 2]" 2
525 1 12 PRO QG 1 39 SER QB . . 5.620 3.399 2.711 4.181 . 0 0 "[ . 1 . 2]" 2
526 1 12 PRO QD 1 20 THR MG . . 6.750 5.026 4.637 6.003 . 0 0 "[ . 1 . 2]" 2
527 1 12 PRO QD 1 38 GLY H . . 5.810 4.913 4.748 5.304 . 0 0 "[ . 1 . 2]" 2
528 1 12 PRO QD 1 38 GLY QA . . 4.440 3.935 3.688 4.225 . 0 0 "[ . 1 . 2]" 2
529 1 13 VAL H 1 13 VAL QG . . 4.180 2.294 2.233 2.357 . 0 0 "[ . 1 . 2]" 2
530 1 13 VAL H 1 21 TYR QB . . 5.090 4.390 4.225 4.512 . 0 0 "[ . 1 . 2]" 2
531 1 13 VAL H 1 39 SER QB . . 5.810 5.259 4.495 5.836 0.026 2 0 "[ . 1 . 2]" 2
532 1 13 VAL HA 1 14 CYS QB . . 4.520 4.100 4.033 4.152 . 0 0 "[ . 1 . 2]" 2
533 1 13 VAL HB 1 34 ILE QG . . 5.810 4.083 3.780 4.613 . 0 0 "[ . 1 . 2]" 2
534 1 13 VAL QG 1 14 CYS H . . 3.760 3.311 3.139 3.397 . 0 0 "[ . 1 . 2]" 2
535 1 13 VAL QG 1 14 CYS HA . . 5.550 4.073 3.758 4.236 . 0 0 "[ . 1 . 2]" 2
536 1 13 VAL QG 1 15 GLY H . . 6.900 4.067 3.661 4.368 . 0 0 "[ . 1 . 2]" 2
537 1 13 VAL QG 1 20 THR HA . . 6.900 4.115 3.802 4.244 . 0 0 "[ . 1 . 2]" 2
538 1 13 VAL QG 1 21 TYR H . . 5.340 3.218 3.078 3.426 . 0 0 "[ . 1 . 2]" 2
539 1 13 VAL QG 1 21 TYR QB . . 4.120 3.161 2.853 3.462 . 0 0 "[ . 1 . 2]" 2
540 1 13 VAL QG 1 21 TYR QD . . 8.910 2.291 2.143 2.910 . 0 0 "[ . 1 . 2]" 2
541 1 13 VAL QG 1 21 TYR QE . . 7.950 3.490 3.047 4.299 . 0 0 "[ . 1 . 2]" 2
542 1 13 VAL QG 1 23 ASN H . . 6.010 3.778 3.575 4.041 . 0 0 "[ . 1 . 2]" 2
543 1 13 VAL QG 1 23 ASN HA . . 5.430 2.700 2.458 3.224 . 0 0 "[ . 1 . 2]" 2
544 1 13 VAL QG 1 24 SER H . . 5.080 2.950 2.582 3.297 . 0 0 "[ . 1 . 2]" 2
545 1 13 VAL QG 1 24 SER HA . . 4.100 2.412 2.105 2.845 . 0 0 "[ . 1 . 2]" 2
546 1 13 VAL QG 1 26 ILE H . . 6.900 4.953 4.742 5.282 . 0 0 "[ . 1 . 2]" 2
547 1 13 VAL QG 1 26 ILE QG . . 7.730 6.074 5.905 6.304 . 0 0 "[ . 1 . 2]" 2
548 1 13 VAL QG 1 27 ALA H . . 6.140 3.959 3.694 4.312 . 0 0 "[ . 1 . 2]" 2
549 1 13 VAL QG 1 27 ALA MB . . 6.700 2.330 2.051 2.911 . 0 0 "[ . 1 . 2]" 2
550 1 13 VAL QG 1 28 ARG H . . 6.900 4.754 4.424 5.169 . 0 0 "[ . 1 . 2]" 2
551 1 13 VAL QG 1 32 VAL QG . . 7.680 5.244 4.009 5.643 . 0 0 "[ . 1 . 2]" 2
552 1 13 VAL QG 1 34 ILE HB . . 5.850 3.391 2.912 4.774 . 0 0 "[ . 1 . 2]" 2
553 1 13 VAL QG 1 34 ILE MG . . 5.360 2.101 1.971 2.720 . 0 0 "[ . 1 . 2]" 2
554 1 13 VAL QG 1 34 ILE QG . . 6.010 3.412 2.745 3.882 . 0 0 "[ . 1 . 2]" 2
555 1 13 VAL QG 1 34 ILE MD . . 7.070 2.672 1.937 3.207 . 0 0 "[ . 1 . 2]" 2
556 1 13 VAL QG 1 37 GLU HA . . 4.640 2.222 2.094 2.329 . 0 0 "[ . 1 . 2]" 2
557 1 13 VAL QG 1 37 GLU QB . . 6.620 3.198 2.635 3.687 . 0 0 "[ . 1 . 2]" 2
558 1 13 VAL QG 1 38 GLY H . . 4.820 2.899 2.253 3.127 . 0 0 "[ . 1 . 2]" 2
559 1 14 CYS H 1 14 CYS QB . . 3.000 2.395 2.321 2.545 . 0 0 "[ . 1 . 2]" 2
560 1 14 CYS QB 1 15 GLY H . . 4.760 3.890 3.814 3.936 . 0 0 "[ . 1 . 2]" 2
561 1 14 CYS QB 1 34 ILE MD . . 6.220 5.163 4.763 5.550 . 0 0 "[ . 1 . 2]" 2
562 1 14 CYS QB 1 35 LYS H . . 6.170 3.935 3.456 4.638 . 0 0 "[ . 1 . 2]" 2
563 1 14 CYS QB 1 35 LYS QB . . 4.980 3.578 2.883 3.912 . 0 0 "[ . 1 . 2]" 2
564 1 14 CYS QB 1 36 SER H . . 3.480 2.929 2.590 3.485 0.005 7 0 "[ . 1 . 2]" 2
565 1 14 CYS QB 1 39 SER HA . . 5.150 4.056 3.823 4.391 . 0 0 "[ . 1 . 2]" 2
566 1 14 CYS QB 1 40 CYS H . . 4.190 3.419 3.027 3.962 . 0 0 "[ . 1 . 2]" 2
567 1 14 CYS QB 1 40 CYS HA . . 3.540 3.098 3.012 3.260 . 0 0 "[ . 1 . 2]" 2
568 1 14 CYS QB 1 41 PRO QD . . 4.210 4.265 4.226 4.314 0.104 10 0 "[ . 1 . 2]" 2
569 1 15 GLY H 1 17 ASP QB . . 5.810 5.456 5.215 5.785 . 0 0 "[ . 1 . 2]" 2
570 1 15 GLY H 1 32 VAL QG . . 6.900 5.082 3.983 5.534 . 0 0 "[ . 1 . 2]" 2
571 1 15 GLY QA 1 16 SER H . . 2.940 2.210 2.167 2.260 . 0 0 "[ . 1 . 2]" 2
572 1 15 GLY QA 1 16 SER HA . . 5.410 4.048 3.997 4.078 . 0 0 "[ . 1 . 2]" 2
573 1 15 GLY QA 1 17 ASP H . . 3.500 3.171 3.077 3.220 . 0 0 "[ . 1 . 2]" 2
574 1 15 GLY QA 1 18 GLY H . . 4.040 3.475 3.218 3.712 . 0 0 "[ . 1 . 2]" 2
575 1 15 GLY QA 1 19 ARG H . . 4.290 3.902 3.461 4.310 0.020 7 0 "[ . 1 . 2]" 2
576 1 15 GLY QA 1 21 TYR QD . . 6.190 4.086 3.926 4.193 . 0 0 "[ . 1 . 2]" 2
577 1 15 GLY QA 1 21 TYR QE . . 6.630 2.138 2.075 2.406 . 0 0 "[ . 1 . 2]" 2
578 1 15 GLY QA 1 27 ALA MB . . 4.820 3.866 3.526 4.134 . 0 0 "[ . 1 . 2]" 2
579 1 15 GLY QA 1 32 VAL QG . . 4.940 3.231 1.932 3.716 . 0 0 "[ . 1 . 2]" 2
580 1 15 GLY QA 1 34 ILE HA . . 3.480 2.281 2.094 3.240 . 0 0 "[ . 1 . 2]" 2
581 1 15 GLY QA 1 34 ILE MD . . 6.750 4.833 2.597 5.321 . 0 0 "[ . 1 . 2]" 2
582 1 15 GLY QA 1 35 LYS H . . 3.500 3.238 2.695 3.519 0.019 19 0 "[ . 1 . 2]" 2
583 1 15 GLY QA 1 36 SER H . . 5.810 4.863 4.405 5.137 . 0 0 "[ . 1 . 2]" 2
584 1 16 SER H 1 32 VAL QG . . 4.760 3.056 2.036 3.733 . 0 0 "[ . 1 . 2]" 2
585 1 16 SER H 1 35 LYS QB . . 5.780 4.263 3.514 5.417 . 0 0 "[ . 1 . 2]" 2
586 1 16 SER H 1 35 LYS QD . . 5.810 4.924 3.723 5.865 0.055 13 0 "[ . 1 . 2]" 2
587 1 16 SER HA 1 32 VAL QG . . 6.900 4.738 4.033 5.349 . 0 0 "[ . 1 . 2]" 2
588 1 16 SER HA 1 35 LYS QB . . 5.160 3.071 2.604 4.349 . 0 0 "[ . 1 . 2]" 2
589 1 16 SER QB 1 35 LYS QB . . 6.630 4.226 3.155 5.513 . 0 0 "[ . 1 . 2]" 2
590 1 17 ASP H 1 17 ASP QB . . 3.360 2.256 2.207 2.350 . 0 0 "[ . 1 . 2]" 2
591 1 17 ASP H 1 18 GLY QA . . 4.540 4.495 4.454 4.532 . 0 0 "[ . 1 . 2]" 2
592 1 17 ASP H 1 32 VAL QG . . 4.810 2.881 2.028 3.654 . 0 0 "[ . 1 . 2]" 2
593 1 17 ASP HA 1 32 VAL QG . . 6.900 4.574 3.871 5.362 . 0 0 "[ . 1 . 2]" 2
594 1 17 ASP QB 1 19 ARG H . . 5.810 2.823 2.596 3.008 . 0 0 "[ . 1 . 2]" 2
595 1 17 ASP QB 1 19 ARG QB . . 5.610 2.995 2.685 3.237 . 0 0 "[ . 1 . 2]" 2
596 1 17 ASP QB 1 32 VAL QG . . 5.020 2.851 2.272 3.342 . 0 0 "[ . 1 . 2]" 2
597 1 18 GLY H 1 19 ARG QB . . 3.940 4.039 4.005 4.059 0.119 6 0 "[ . 1 . 2]" 2
598 1 18 GLY H 1 32 VAL QG . . 6.900 4.690 3.776 5.390 . 0 0 "[ . 1 . 2]" 2
599 1 18 GLY QA 1 20 THR H . . 5.660 5.753 5.729 5.791 0.131 15 0 "[ . 1 . 2]" 2
600 1 18 GLY QA 1 40 CYS QB . . 4.770 3.466 2.929 3.903 . 0 0 "[ . 1 . 2]" 2
601 1 19 ARG H 1 19 ARG QB . . 2.870 2.140 2.109 2.173 . 0 0 "[ . 1 . 2]" 2
602 1 19 ARG H 1 19 ARG QD . . 5.810 4.308 3.905 4.719 . 0 0 "[ . 1 . 2]" 2
603 1 19 ARG QB 1 19 ARG HE . . 4.800 3.511 2.048 4.428 . 0 0 "[ . 1 . 2]" 2
604 1 19 ARG QB 1 20 THR H . . 3.280 3.315 3.257 3.364 0.084 17 0 "[ . 1 . 2]" 2
605 1 19 ARG QB 1 21 TYR QD . . 6.920 4.369 4.203 4.635 . 0 0 "[ . 1 . 2]" 2
606 1 20 THR HA 1 21 TYR QB . . 4.610 4.620 4.450 4.661 0.051 11 0 "[ . 1 . 2]" 2
607 1 21 TYR H 1 21 TYR QB . . 3.180 2.865 2.794 2.955 . 0 0 "[ . 1 . 2]" 2
608 1 21 TYR QB 1 22 ALA H . . 3.510 2.363 2.278 2.494 . 0 0 "[ . 1 . 2]" 2
609 1 21 TYR QB 1 22 ALA MB . . 6.750 3.717 3.666 3.823 . 0 0 "[ . 1 . 2]" 2
610 1 21 TYR QB 1 23 ASN H . . 3.440 3.061 2.825 3.190 . 0 0 "[ . 1 . 2]" 2
611 1 21 TYR QB 1 26 ILE H . . 5.810 4.692 4.568 4.794 . 0 0 "[ . 1 . 2]" 2
612 1 21 TYR QB 1 26 ILE HB . . 4.310 4.354 4.326 4.384 0.074 7 0 "[ . 1 . 2]" 2
613 1 21 TYR QB 1 26 ILE MG . . 3.960 1.925 1.898 1.958 . 0 0 "[ . 1 . 2]" 2
614 1 21 TYR QB 1 26 ILE QG . . 5.210 3.518 3.380 3.582 . 0 0 "[ . 1 . 2]" 2
615 1 21 TYR QB 1 27 ALA MB . . 5.440 2.627 2.133 2.828 . 0 0 "[ . 1 . 2]" 2
616 1 21 TYR QB 1 30 ASN QD . . 5.610 4.650 3.943 5.205 . 0 0 "[ . 1 . 2]" 2
617 1 21 TYR QD 1 30 ASN QB . . 7.770 4.137 3.636 4.600 . 0 0 "[ . 1 . 2]" 2
618 1 21 TYR QD 1 30 ASN QD . . 7.030 4.171 3.611 5.029 . 0 0 "[ . 1 . 2]" 2
619 1 21 TYR QD 1 32 VAL QG . . 7.660 4.348 3.864 4.590 . 0 0 "[ . 1 . 2]" 2
620 1 21 TYR QE 1 30 ASN QB . . 5.550 3.725 3.163 4.375 . 0 0 "[ . 1 . 2]" 2
621 1 21 TYR QE 1 32 VAL QG . . 8.090 3.015 2.498 3.229 . 0 0 "[ . 1 . 2]" 2
622 1 22 ALA MB 1 23 ASN QB . . 6.040 3.591 3.235 3.772 . 0 0 "[ . 1 . 2]" 2
623 1 22 ALA MB 1 23 ASN QD . . 6.470 4.433 2.481 5.238 . 0 0 "[ . 1 . 2]" 2
624 1 23 ASN QB 1 24 SER H . . 2.980 2.169 2.089 3.042 0.062 16 0 "[ . 1 . 2]" 2
625 1 23 ASN QB 1 25 CYS H . . 4.490 3.364 3.132 3.890 . 0 0 "[ . 1 . 2]" 2
626 1 23 ASN QB 1 26 ILE MG . . 5.990 4.284 3.182 4.677 . 0 0 "[ . 1 . 2]" 2
627 1 23 ASN QD 1 24 SER HA . . 5.810 5.764 5.215 5.962 0.152 8 0 "[ . 1 . 2]" 2
628 1 23 ASN QD 1 25 CYS QB . . 6.500 2.184 2.066 2.861 . 0 0 "[ . 1 . 2]" 2
629 1 23 ASN QD 1 26 ILE H . . 5.810 3.885 3.621 4.049 . 0 0 "[ . 1 . 2]" 2
630 1 23 ASN QD 1 26 ILE HB . . 5.810 4.699 3.655 4.981 . 0 0 "[ . 1 . 2]" 2
631 1 23 ASN QD 1 26 ILE MG . . 5.390 4.788 3.796 5.025 . 0 0 "[ . 1 . 2]" 2
632 1 23 ASN QD 1 26 ILE QG . . 6.620 6.374 5.207 6.628 0.008 6 0 "[ . 1 . 2]" 2
633 1 24 SER HA 1 32 VAL QG . . 6.900 7.001 5.679 7.344 0.444 11 0 "[ . 1 . 2]" 2
634 1 25 CYS H 1 28 ARG QG . . 4.560 4.612 4.535 4.663 0.103 13 0 "[ . 1 . 2]" 2
635 1 25 CYS HA 1 28 ARG QG . . 6.240 3.290 2.400 3.693 . 0 0 "[ . 1 . 2]" 2
636 1 25 CYS QB 1 26 ILE H . . 3.400 2.651 2.591 2.748 . 0 0 "[ . 1 . 2]" 2
637 1 25 CYS QB 1 28 ARG QG . . 5.430 4.906 4.298 5.212 . 0 0 "[ . 1 . 2]" 2
638 1 26 ILE H 1 29 CYS QB . . 5.500 4.903 4.757 5.115 . 0 0 "[ . 1 . 2]" 2
639 1 26 ILE HA 1 29 CYS QB . . 3.190 2.712 2.433 2.875 . 0 0 "[ . 1 . 2]" 2
640 1 26 ILE HA 1 30 ASN QD . . 5.220 4.202 3.384 4.496 . 0 0 "[ . 1 . 2]" 2
641 1 26 ILE MG 1 30 ASN QB . . 6.750 4.040 3.876 4.338 . 0 0 "[ . 1 . 2]" 2
642 1 26 ILE MG 1 30 ASN QD . . 6.260 3.786 3.197 4.069 . 0 0 "[ . 1 . 2]" 2
643 1 26 ILE QG 1 29 CYS QB . . 4.630 3.824 3.640 3.969 . 0 0 "[ . 1 . 2]" 2
644 1 26 ILE QG 1 30 ASN QB . . 5.890 3.870 3.622 4.323 . 0 0 "[ . 1 . 2]" 2
645 1 26 ILE QG 1 32 VAL QG . . 7.730 5.994 5.452 6.580 . 0 0 "[ . 1 . 2]" 2
646 1 27 ALA H 1 28 ARG QG . . 5.500 4.587 4.266 4.834 . 0 0 "[ . 1 . 2]" 2
647 1 27 ALA HA 1 30 ASN QB . . 3.320 2.614 2.214 2.777 . 0 0 "[ . 1 . 2]" 2
648 1 27 ALA HA 1 30 ASN QD . . 5.710 4.184 3.374 4.778 . 0 0 "[ . 1 . 2]" 2
649 1 27 ALA HA 1 32 VAL QG . . 5.540 3.553 2.665 4.378 . 0 0 "[ . 1 . 2]" 2
650 1 27 ALA MB 1 28 ARG QG . . 5.390 3.425 3.026 4.336 . 0 0 "[ . 1 . 2]" 2
651 1 27 ALA MB 1 32 VAL QG . . 6.450 3.683 2.760 4.167 . 0 0 "[ . 1 . 2]" 2
652 1 28 ARG H 1 28 ARG QG . . 3.910 2.346 2.063 2.497 . 0 0 "[ . 1 . 2]" 2
653 1 28 ARG H 1 29 CYS QB . . 4.810 4.468 4.300 4.629 . 0 0 "[ . 1 . 2]" 2
654 1 28 ARG H 1 32 VAL QG . . 6.900 5.292 4.683 6.037 . 0 0 "[ . 1 . 2]" 2
655 1 28 ARG HA 1 28 ARG QG . . 3.710 2.720 2.353 3.424 . 0 0 "[ . 1 . 2]" 2
656 1 28 ARG HA 1 32 VAL QG . . 6.900 4.638 4.268 5.540 . 0 0 "[ . 1 . 2]" 2
657 1 28 ARG QB 1 28 ARG HE . . 4.670 2.979 2.196 4.098 . 0 0 "[ . 1 . 2]" 2
658 1 28 ARG QB 1 29 CYS H . . 3.720 2.840 2.607 3.499 . 0 0 "[ . 1 . 2]" 2
659 1 28 ARG QB 1 29 CYS QB . . 4.340 3.849 3.502 4.419 0.079 7 0 "[ . 1 . 2]" 2
660 1 28 ARG QB 1 30 ASN H . . 5.590 4.762 4.623 5.122 . 0 0 "[ . 1 . 2]" 2
661 1 28 ARG QB 1 34 ILE MG . . 6.750 5.196 4.049 6.654 . 0 0 "[ . 1 . 2]" 2
662 1 28 ARG QG 1 34 ILE MG . . 6.750 4.070 2.967 6.395 . 0 0 "[ . 1 . 2]" 2
663 1 29 CYS H 1 30 ASN QB . . 5.420 4.074 3.947 4.128 . 0 0 "[ . 1 . 2]" 2
664 1 29 CYS H 1 30 ASN QD . . 6.500 4.917 4.069 5.149 . 0 0 "[ . 1 . 2]" 2
665 1 29 CYS H 1 32 VAL QG . . 5.700 5.502 5.118 5.952 0.252 7 0 "[ . 1 . 2]" 2
666 1 29 CYS QB 1 30 ASN H . . 3.470 2.857 2.751 2.989 . 0 0 "[ . 1 . 2]" 2
667 1 29 CYS QB 1 30 ASN QD . . 4.260 3.947 3.364 4.245 . 0 0 "[ . 1 . 2]" 2
668 1 30 ASN H 1 30 ASN QB . . 2.910 2.046 2.006 2.299 . 0 0 "[ . 1 . 2]" 2
669 1 30 ASN H 1 30 ASN QD . . 3.540 3.135 2.452 3.472 . 0 0 "[ . 1 . 2]" 2
670 1 30 ASN H 1 31 GLY QA . . 5.500 4.700 4.564 4.793 . 0 0 "[ . 1 . 2]" 2
671 1 30 ASN H 1 32 VAL QG . . 6.300 4.118 3.793 4.639 . 0 0 "[ . 1 . 2]" 2
672 1 30 ASN QB 1 31 GLY H . . 3.940 3.345 3.096 3.419 . 0 0 "[ . 1 . 2]" 2
673 1 30 ASN QB 1 32 VAL H . . 3.820 3.346 3.206 3.503 . 0 0 "[ . 1 . 2]" 2
674 1 30 ASN QB 1 32 VAL QG . . 4.570 2.182 2.051 2.525 . 0 0 "[ . 1 . 2]" 2
675 1 30 ASN QD 1 32 VAL QG . . 6.620 4.607 4.385 5.100 . 0 0 "[ . 1 . 2]" 2
676 1 31 GLY H 1 32 VAL QG . . 6.020 3.621 3.457 3.885 . 0 0 "[ . 1 . 2]" 2
677 1 31 GLY QA 1 32 VAL QG . . 5.760 3.476 3.346 3.771 . 0 0 "[ . 1 . 2]" 2
678 1 32 VAL QG 1 33 SER H . . 4.870 2.516 2.016 3.153 . 0 0 "[ . 1 . 2]" 2
679 1 32 VAL QG 1 34 ILE H . . 6.900 5.306 2.156 5.847 . 0 0 "[ . 1 . 2]" 2
680 1 32 VAL QG 1 34 ILE MG . . 7.860 4.652 4.278 6.183 . 0 0 "[ . 1 . 2]" 2
681 1 33 SER H 1 33 SER QB . . 3.300 2.689 2.404 3.014 . 0 0 "[ . 1 . 2]" 2
682 1 33 SER HA 1 34 ILE QG . . 5.810 4.218 3.631 4.537 . 0 0 "[ . 1 . 2]" 2
683 1 33 SER QB 1 35 LYS QD . . 5.180 4.622 3.444 5.224 0.044 17 0 "[ . 1 . 2]" 2
684 1 34 ILE H 1 34 ILE QG . . 3.620 2.382 2.197 2.801 . 0 0 "[ . 1 . 2]" 2
685 1 34 ILE HA 1 34 ILE QG . . 3.500 3.398 3.028 3.518 0.018 20 0 "[ . 1 . 2]" 2
686 1 34 ILE HA 1 35 LYS QB . . 4.260 3.974 3.705 4.101 . 0 0 "[ . 1 . 2]" 2
687 1 34 ILE QG 1 35 LYS H . . 5.220 4.316 3.946 4.794 . 0 0 "[ . 1 . 2]" 2
688 1 34 ILE QG 1 36 SER H . . 5.810 4.683 4.051 5.715 . 0 0 "[ . 1 . 2]" 2
689 1 34 ILE MD 1 35 LYS QB . . 6.750 5.023 4.393 5.932 . 0 0 "[ . 1 . 2]" 2
690 1 34 ILE MD 1 36 SER QB . . 6.750 4.970 4.249 6.296 . 0 0 "[ . 1 . 2]" 2
691 1 35 LYS H 1 35 LYS QB . . 2.830 2.253 2.130 2.425 . 0 0 "[ . 1 . 2]" 2
692 1 35 LYS H 1 35 LYS QD . . 4.630 3.994 2.678 4.554 . 0 0 "[ . 1 . 2]" 2
693 1 35 LYS H 1 36 SER QB . . 4.950 4.760 4.449 4.994 0.044 1 0 "[ . 1 . 2]" 2
694 1 35 LYS HA 1 35 LYS QD . . 4.310 2.469 2.107 3.924 . 0 0 "[ . 1 . 2]" 2
695 1 35 LYS QB 1 35 LYS QD . . 2.990 2.300 2.095 2.414 . 0 0 "[ . 1 . 2]" 2
696 1 35 LYS QB 1 36 SER H . . 3.180 2.847 2.579 3.064 . 0 0 "[ . 1 . 2]" 2
697 1 36 SER HA 1 37 GLU QG . . 5.290 4.113 3.565 4.970 . 0 0 "[ . 1 . 2]" 2
698 1 36 SER QB 1 37 GLU H . . 3.120 2.782 2.279 3.171 0.051 20 0 "[ . 1 . 2]" 2
699 1 37 GLU H 1 37 GLU QB . . 2.950 2.628 2.367 2.942 . 0 0 "[ . 1 . 2]" 2
700 1 37 GLU H 1 37 GLU QG . . 3.860 2.403 1.932 3.529 . 0 0 "[ . 1 . 2]" 2
701 1 37 GLU HA 1 38 GLY QA . . 4.450 4.074 4.034 4.093 . 0 0 "[ . 1 . 2]" 2
702 1 37 GLU QB 1 38 GLY H . . 3.450 2.569 2.364 2.814 . 0 0 "[ . 1 . 2]" 2
703 1 37 GLU QG 1 38 GLY H . . 5.560 3.838 3.592 4.475 . 0 0 "[ . 1 . 2]" 2
704 1 38 GLY QA 1 39 SER QB . . 4.870 4.182 3.880 4.390 . 0 0 "[ . 1 . 2]" 2
705 1 39 SER H 1 39 SER QB . . 3.200 2.536 2.237 2.784 . 0 0 "[ . 1 . 2]" 2
706 1 39 SER HA 1 40 CYS QB . . 5.290 4.006 3.860 4.105 . 0 0 "[ . 1 . 2]" 2
707 1 39 SER QB 1 40 CYS H . . 3.890 3.031 2.638 3.447 . 0 0 "[ . 1 . 2]" 2
708 1 40 CYS H 1 40 CYS QB . . 3.170 2.181 2.061 2.350 . 0 0 "[ . 1 . 2]" 2
709 1 40 CYS H 1 41 PRO QD . . 4.880 4.489 4.439 4.525 . 0 0 "[ . 1 . 2]" 2
710 1 40 CYS QB 1 41 PRO QG . . 4.880 4.356 4.172 4.656 . 0 0 "[ . 1 . 2]" 2
711 1 40 CYS QB 1 41 PRO QD . . 3.280 3.013 2.825 3.262 . 0 0 "[ . 1 . 2]" 2
712 1 41 PRO QB 1 42 THR H . . 3.750 3.000 2.509 3.831 0.081 19 0 "[ . 1 . 2]" 2
713 1 41 PRO QB 1 43 GLY H . . 5.530 2.994 2.319 4.809 . 0 0 "[ . 1 . 2]" 2
714 1 41 PRO QD 1 43 GLY H . . 5.810 5.315 4.854 5.843 0.033 10 0 "[ . 1 . 2]" 2
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