NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508666 |
2yql   |
11347 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yql
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 27
_Distance_constraint_stats_list.Viol_count 136
_Distance_constraint_stats_list.Viol_total 6.713
_Distance_constraint_stats_list.Viol_max 0.014
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0025
_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 12 CYS 0.153 0.014 16 0 "[ . 1 . 2]"
1 15 CYS 0.046 0.007 16 0 "[ . 1 . 2]"
1 24 CYS 0.047 0.005 18 0 "[ . 1 . 2]"
1 27 CYS 0.003 0.003 20 0 "[ . 1 . 2]"
1 32 HIS 0.045 0.005 17 0 "[ . 1 . 2]"
1 35 CYS 0.064 0.005 18 0 "[ . 1 . 2]"
1 50 CYS 0.045 0.006 11 0 "[ . 1 . 2]"
1 53 CYS 0.019 0.005 18 0 "[ . 1 . 2]"
2 1 ZN 0.174 0.014 16 0 "[ . 1 . 2]"
3 1 ZN 0.076 0.006 11 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 12 CYS SG 2 1 ZN ZN . 2.190 2.390 2.389 2.383 2.398 0.008 1 0 "[ . 1 . 2]" 1
2 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.202 2.185 2.233 0.005 11 0 "[ . 1 . 2]" 1
3 1 32 HIS ND1 2 1 ZN ZN . . 2.100 2.099 2.094 2.105 0.005 17 0 "[ . 1 . 2]" 1
4 1 35 CYS SG 2 1 ZN ZN . 2.190 2.390 2.316 2.301 2.327 . 0 0 "[ . 1 . 2]" 1
5 1 12 CYS CB 2 1 ZN ZN . 3.250 3.510 3.247 3.236 3.258 0.014 16 0 "[ . 1 . 2]" 1
6 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.494 3.446 3.517 0.007 16 0 "[ . 1 . 2]" 1
7 1 35 CYS CB 2 1 ZN ZN . 3.250 3.510 3.254 3.245 3.284 0.005 18 0 "[ . 1 . 2]" 1
8 1 12 CYS SG 1 15 CYS SG . 3.560 3.960 3.599 3.598 3.600 . 0 0 "[ . 1 . 2]" 1
9 1 12 CYS SG 1 32 HIS ND1 . 3.320 3.720 3.319 3.316 3.322 0.004 19 0 "[ . 1 . 2]" 1
10 1 12 CYS SG 1 35 CYS SG . 3.560 3.960 3.961 3.956 3.964 0.004 8 0 "[ . 1 . 2]" 1
11 1 15 CYS SG 1 32 HIS ND1 . 3.320 3.720 3.437 3.401 3.487 . 0 0 "[ . 1 . 2]" 1
12 1 15 CYS SG 1 35 CYS SG . 3.560 3.960 3.960 3.954 3.965 0.005 8 0 "[ . 1 . 2]" 1
13 1 32 HIS ND1 1 35 CYS SG . 3.320 3.720 3.653 3.607 3.669 . 0 0 "[ . 1 . 2]" 1
14 1 24 CYS SG 3 1 ZN ZN . 2.190 2.390 2.197 2.185 2.284 0.005 9 0 "[ . 1 . 2]" 1
15 1 27 CYS SG 3 1 ZN ZN . 2.190 2.390 2.368 2.278 2.393 0.003 20 0 "[ . 1 . 2]" 1
16 1 50 CYS SG 3 1 ZN ZN . 2.190 2.390 2.191 2.186 2.194 0.004 3 0 "[ . 1 . 2]" 1
17 1 53 CYS SG 3 1 ZN ZN . 2.190 2.390 2.346 2.323 2.386 . 0 0 "[ . 1 . 2]" 1
18 1 24 CYS CB 3 1 ZN ZN . 3.250 3.510 3.257 3.246 3.299 0.004 1 0 "[ . 1 . 2]" 1
19 1 27 CYS CB 3 1 ZN ZN . 3.250 3.510 3.437 3.351 3.490 . 0 0 "[ . 1 . 2]" 1
20 1 50 CYS CB 3 1 ZN ZN . 3.250 3.510 3.510 3.495 3.516 0.006 11 0 "[ . 1 . 2]" 1
21 1 53 CYS CB 3 1 ZN ZN . 3.250 3.510 3.401 3.360 3.495 . 0 0 "[ . 1 . 2]" 1
22 1 24 CYS SG 1 27 CYS SG . 3.560 3.960 3.655 3.619 3.718 . 0 0 "[ . 1 . 2]" 1
23 1 24 CYS SG 1 50 CYS SG . 3.560 3.960 3.711 3.688 3.744 . 0 0 "[ . 1 . 2]" 1
24 1 24 CYS SG 1 53 CYS SG . 3.560 3.960 3.960 3.955 3.965 0.005 18 0 "[ . 1 . 2]" 1
25 1 27 CYS SG 1 50 CYS SG . 3.560 3.960 3.614 3.597 3.658 . 0 0 "[ . 1 . 2]" 1
26 1 27 CYS SG 1 53 CYS SG . 3.560 3.960 3.655 3.608 3.751 . 0 0 "[ . 1 . 2]" 1
27 1 50 CYS SG 1 53 CYS SG . 3.560 3.960 3.602 3.598 3.615 . 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 755
_Distance_constraint_stats_list.Viol_count 349
_Distance_constraint_stats_list.Viol_total 25.993
_Distance_constraint_stats_list.Viol_max 0.064
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0037
_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 8 HIS 0.002 0.001 18 0 "[ . 1 . 2]"
1 9 GLU 0.017 0.003 4 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PHE 0.040 0.003 15 0 "[ . 1 . 2]"
1 12 CYS 0.015 0.006 19 0 "[ . 1 . 2]"
1 13 SER 0.016 0.002 12 0 "[ . 1 . 2]"
1 14 VAL 0.031 0.007 19 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 4 0 "[ . 1 . 2]"
1 16 ARG 0.034 0.003 15 0 "[ . 1 . 2]"
1 17 LYS 0.001 0.000 6 0 "[ . 1 . 2]"
1 18 SER 0.006 0.002 3 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.058 0.007 8 0 "[ . 1 . 2]"
1 21 LEU 0.073 0.007 8 0 "[ . 1 . 2]"
1 22 LEU 0.027 0.004 13 0 "[ . 1 . 2]"
1 23 MET 0.004 0.002 11 0 "[ . 1 . 2]"
1 24 CYS 0.018 0.005 18 0 "[ . 1 . 2]"
1 25 ASP 0.034 0.006 17 0 "[ . 1 . 2]"
1 26 THR 0.404 0.064 12 0 "[ . 1 . 2]"
1 27 CYS 0.404 0.064 12 0 "[ . 1 . 2]"
1 28 SER 0.015 0.003 4 0 "[ . 1 . 2]"
1 29 ARG 0.004 0.001 20 0 "[ . 1 . 2]"
1 30 VAL 0.022 0.006 19 0 "[ . 1 . 2]"
1 31 TYR 0.123 0.007 19 0 "[ . 1 . 2]"
1 32 HIS 0.004 0.001 3 0 "[ . 1 . 2]"
1 33 LEU 0.037 0.003 3 0 "[ . 1 . 2]"
1 34 ASP 0.004 0.004 20 0 "[ . 1 . 2]"
1 35 CYS 0.035 0.003 10 0 "[ . 1 . 2]"
1 36 LEU 0.076 0.004 10 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 0.004 0.004 20 0 "[ . 1 . 2]"
1 40 LEU 0.100 0.005 12 0 "[ . 1 . 2]"
1 41 LYS 0.371 0.021 15 0 "[ . 1 . 2]"
1 42 THR 0.001 0.001 19 0 "[ . 1 . 2]"
1 43 ILE 0.022 0.002 13 0 "[ . 1 . 2]"
1 44 PRO 0.380 0.021 15 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 MET 0.034 0.006 17 0 "[ . 1 . 2]"
1 48 TRP 0.119 0.005 12 0 "[ . 1 . 2]"
1 49 ILE 0.018 0.005 11 0 "[ . 1 . 2]"
1 50 CYS 0.018 0.005 18 0 "[ . 1 . 2]"
1 51 PRO 0.006 0.002 6 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.018 0.005 11 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLN 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 50 CYS H 1 50 CYS HB3 . . 3.470 2.358 2.346 2.364 . 0 0 "[ . 1 . 2]" 2
2 1 48 TRP HA 1 49 ILE H . . 3.050 2.246 2.230 2.260 . 0 0 "[ . 1 . 2]" 2
3 1 12 CYS HA 1 13 SER H . . 3.140 2.192 2.184 2.197 . 0 0 "[ . 1 . 2]" 2
4 1 21 LEU HA 1 22 LEU H . . 3.210 2.281 2.255 2.314 . 0 0 "[ . 1 . 2]" 2
5 1 43 ILE H 1 43 ILE HG12 . . 3.940 3.173 2.156 3.858 . 0 0 "[ . 1 . 2]" 2
6 1 14 VAL H 1 15 CYS H . . 3.550 1.975 1.961 2.006 . 0 0 "[ . 1 . 2]" 2
7 1 32 HIS HA 1 33 LEU H . . 3.460 2.593 2.591 2.595 . 0 0 "[ . 1 . 2]" 2
8 1 33 LEU H 1 33 LEU HG . . 3.440 3.139 3.050 3.241 . 0 0 "[ . 1 . 2]" 2
9 1 33 LEU H 1 33 LEU HB2 . . 3.520 2.235 2.209 2.257 . 0 0 "[ . 1 . 2]" 2
10 1 52 ARG H 1 53 CYS H . . 3.660 2.408 2.377 2.422 . 0 0 "[ . 1 . 2]" 2
11 1 40 LEU H 1 40 LEU HB2 . . 3.400 2.408 2.376 2.496 . 0 0 "[ . 1 . 2]" 2
12 1 44 PRO HA 1 45 LYS H . . 3.030 2.333 2.279 2.386 . 0 0 "[ . 1 . 2]" 2
13 1 44 PRO HB3 1 45 LYS H . . 4.670 4.486 4.429 4.531 . 0 0 "[ . 1 . 2]" 2
14 1 47 MET H 1 47 MET HB2 . . 4.200 2.506 2.375 2.611 . 0 0 "[ . 1 . 2]" 2
15 1 35 CYS H 1 36 LEU H . . 3.410 3.410 3.381 3.413 0.003 10 0 "[ . 1 . 2]" 2
16 1 36 LEU H 1 36 LEU HB3 . . 3.930 3.656 3.645 3.659 . 0 0 "[ . 1 . 2]" 2
17 1 40 LEU HA 1 41 LYS H . . 3.260 2.577 2.570 2.580 . 0 0 "[ . 1 . 2]" 2
18 1 53 CYS H 1 54 GLN H . . 3.570 2.502 2.485 2.530 . 0 0 "[ . 1 . 2]" 2
19 1 54 GLN H 1 54 GLN HB2 . . 3.450 2.495 2.441 2.639 . 0 0 "[ . 1 . 2]" 2
20 1 52 ARG H 1 52 ARG HB2 . . 3.730 2.115 2.101 2.147 . 0 0 "[ . 1 . 2]" 2
21 1 17 LYS HA 1 18 SER H . . 3.310 2.464 2.152 2.582 . 0 0 "[ . 1 . 2]" 2
22 1 41 LYS H 1 42 THR H . . 3.440 2.536 2.514 2.570 . 0 0 "[ . 1 . 2]" 2
23 1 9 GLU H 1 9 GLU HB2 . . 3.960 2.872 2.614 3.695 . 0 0 "[ . 1 . 2]" 2
24 1 8 HIS HA 1 9 GLU H . . 3.500 2.582 2.242 2.975 . 0 0 "[ . 1 . 2]" 2
25 1 10 ASP H 1 10 ASP HB2 . . 4.020 2.877 2.689 3.114 . 0 0 "[ . 1 . 2]" 2
26 1 10 ASP H 1 11 PHE H . . 4.410 2.059 1.915 2.367 . 0 0 "[ . 1 . 2]" 2
27 1 12 CYS H 1 21 LEU MD1 . . 4.340 2.056 1.995 2.211 . 0 0 "[ . 1 . 2]" 2
28 1 12 CYS H 1 32 HIS HE1 . . 4.530 4.362 4.330 4.403 . 0 0 "[ . 1 . 2]" 2
29 1 13 SER H 1 21 LEU MD1 . . 4.610 4.609 4.594 4.612 0.002 12 0 "[ . 1 . 2]" 2
30 1 13 SER H 1 31 TYR HA . . 4.520 2.781 2.701 2.851 . 0 0 "[ . 1 . 2]" 2
31 1 12 CYS HB3 1 14 VAL H . . 4.700 3.192 3.138 3.222 . 0 0 "[ . 1 . 2]" 2
32 1 13 SER H 1 14 VAL H . . 4.010 3.032 2.996 3.046 . 0 0 "[ . 1 . 2]" 2
33 1 16 ARG H 1 16 ARG HG2 . . 4.480 3.547 2.588 4.480 0.000 15 0 "[ . 1 . 2]" 2
34 1 16 ARG H 1 17 LYS H . . 3.800 3.230 3.131 3.294 . 0 0 "[ . 1 . 2]" 2
35 1 18 SER H 1 18 SER HB3 . . 3.990 2.557 2.168 3.392 . 0 0 "[ . 1 . 2]" 2
36 1 18 SER H 1 18 SER HB2 . . 3.990 3.550 2.096 3.732 . 0 0 "[ . 1 . 2]" 2
37 1 21 LEU H 1 21 LEU HG . . 4.130 3.938 3.917 3.961 . 0 0 "[ . 1 . 2]" 2
38 1 22 LEU H 1 31 TYR H . . 3.940 3.133 2.975 3.362 . 0 0 "[ . 1 . 2]" 2
39 1 22 LEU HB2 1 23 MET H . . 4.130 4.097 4.084 4.127 . 0 0 "[ . 1 . 2]" 2
40 1 24 CYS HA 1 25 ASP H . . 3.360 2.239 2.236 2.242 . 0 0 "[ . 1 . 2]" 2
41 1 25 ASP H 1 26 THR H . . 4.280 3.095 3.054 3.138 . 0 0 "[ . 1 . 2]" 2
42 1 25 ASP HB2 1 26 THR H . . 4.940 4.529 4.492 4.569 . 0 0 "[ . 1 . 2]" 2
43 1 25 ASP HB3 1 26 THR H . . 5.200 4.222 4.202 4.240 . 0 0 "[ . 1 . 2]" 2
44 1 26 THR HB 1 27 CYS H . . 4.210 2.217 2.204 2.238 . 0 0 "[ . 1 . 2]" 2
45 1 26 THR H 1 27 CYS H . . 2.500 2.520 2.499 2.564 0.064 12 0 "[ . 1 . 2]" 2
46 1 27 CYS HB2 1 28 SER H . . 3.950 1.978 1.957 2.002 . 0 0 "[ . 1 . 2]" 2
47 1 27 CYS H 1 28 SER H . . 4.480 4.424 4.418 4.428 . 0 0 "[ . 1 . 2]" 2
48 1 28 SER H 1 29 ARG H . . 4.440 3.318 3.155 3.545 . 0 0 "[ . 1 . 2]" 2
49 1 29 ARG H 1 29 ARG HB2 . . 4.090 2.838 2.686 2.970 . 0 0 "[ . 1 . 2]" 2
50 1 29 ARG HB3 1 30 VAL H . . 4.200 2.932 2.654 3.175 . 0 0 "[ . 1 . 2]" 2
51 1 21 LEU HB3 1 31 TYR H . . 4.120 3.654 3.566 3.872 . 0 0 "[ . 1 . 2]" 2
52 1 12 CYS HB2 1 32 HIS H . . 4.520 3.739 3.702 3.804 . 0 0 "[ . 1 . 2]" 2
53 1 31 TYR HB3 1 32 HIS H . . 3.720 3.143 3.126 3.170 . 0 0 "[ . 1 . 2]" 2
54 1 12 CYS HB3 1 32 HIS H . . 5.240 4.806 4.762 4.872 . 0 0 "[ . 1 . 2]" 2
55 1 32 HIS H 1 32 HIS HB2 . . 3.670 2.217 2.189 2.230 . 0 0 "[ . 1 . 2]" 2
56 1 33 LEU H 1 33 LEU MD1 . . 4.300 3.900 3.837 3.957 . 0 0 "[ . 1 . 2]" 2
57 1 32 HIS HB2 1 33 LEU H . . 3.970 3.567 3.549 3.597 . 0 0 "[ . 1 . 2]" 2
58 1 32 HIS HB3 1 34 ASP H . . 3.820 2.311 2.284 2.323 . 0 0 "[ . 1 . 2]" 2
59 1 33 LEU H 1 34 ASP H . . 3.880 2.235 2.231 2.250 . 0 0 "[ . 1 . 2]" 2
60 1 32 HIS HB2 1 35 CYS H . . 3.710 2.658 2.639 2.668 . 0 0 "[ . 1 . 2]" 2
61 1 34 ASP H 1 35 CYS H . . 3.760 2.093 2.077 2.102 . 0 0 "[ . 1 . 2]" 2
62 1 40 LEU HB3 1 41 LYS H . . 3.900 2.162 2.137 2.170 . 0 0 "[ . 1 . 2]" 2
63 1 41 LYS H 1 41 LYS HB3 . . 3.730 2.758 2.697 2.810 . 0 0 "[ . 1 . 2]" 2
64 1 33 LEU MD1 1 42 THR H . . 4.810 4.770 4.695 4.811 0.001 19 0 "[ . 1 . 2]" 2
65 1 41 LYS HB3 1 42 THR H . . 3.740 1.999 1.960 2.075 . 0 0 "[ . 1 . 2]" 2
66 1 42 THR H 1 42 THR HB . . 3.960 3.691 3.690 3.693 . 0 0 "[ . 1 . 2]" 2
67 1 42 THR MG 1 43 ILE H . . 4.080 3.638 3.622 3.655 . 0 0 "[ . 1 . 2]" 2
68 1 42 THR HB 1 43 ILE H . . 3.650 1.973 1.956 1.993 . 0 0 "[ . 1 . 2]" 2
69 1 45 LYS H 1 45 LYS HG2 . . 5.100 3.624 2.057 4.584 . 0 0 "[ . 1 . 2]" 2
70 1 45 LYS H 1 46 GLY H . . 4.700 4.649 4.637 4.652 . 0 0 "[ . 1 . 2]" 2
71 1 49 ILE H 1 49 ILE HG13 . . 4.140 2.958 2.866 3.078 . 0 0 "[ . 1 . 2]" 2
72 1 49 ILE HB 1 50 CYS H . . 4.540 4.130 4.088 4.201 . 0 0 "[ . 1 . 2]" 2
73 1 24 CYS HB2 1 50 CYS H . . 4.120 3.180 3.115 3.255 . 0 0 "[ . 1 . 2]" 2
74 1 50 CYS H 1 51 PRO HD2 . . 4.940 4.745 4.744 4.746 . 0 0 "[ . 1 . 2]" 2
75 1 52 ARG H 1 52 ARG HG2 . . 4.320 3.845 3.397 4.289 . 0 0 "[ . 1 . 2]" 2
76 1 52 ARG HB2 1 53 CYS H . . 4.390 3.368 3.237 3.578 . 0 0 "[ . 1 . 2]" 2
77 1 49 ILE MG 1 54 GLN H . . 4.250 2.926 2.767 3.131 . 0 0 "[ . 1 . 2]" 2
78 1 54 GLN H 1 54 GLN HG2 . . 4.120 2.390 2.207 2.518 . 0 0 "[ . 1 . 2]" 2
79 1 53 CYS HB2 1 55 ASP H . . 4.830 4.813 4.781 4.829 . 0 0 "[ . 1 . 2]" 2
80 1 36 LEU MD1 1 48 TRP HE1 . . 4.570 3.254 3.151 3.360 . 0 0 "[ . 1 . 2]" 2
81 1 15 CYS H 1 16 ARG HA . . 5.420 4.149 4.146 4.176 . 0 0 "[ . 1 . 2]" 2
82 1 12 CYS HB3 1 15 CYS H . . 4.370 2.770 2.724 2.798 . 0 0 "[ . 1 . 2]" 2
83 1 16 ARG H 1 16 ARG HD2 . . 5.500 5.019 3.616 5.499 . 0 0 "[ . 1 . 2]" 2
84 1 16 ARG H 1 16 ARG HD3 . . 5.500 4.970 3.741 5.500 0.000 15 0 "[ . 1 . 2]" 2
85 1 21 LEU HB3 1 22 LEU H . . 4.060 2.893 2.804 2.971 . 0 0 "[ . 1 . 2]" 2
86 1 24 CYS HB3 1 27 CYS H . . 4.770 3.157 3.112 3.213 . 0 0 "[ . 1 . 2]" 2
87 1 41 LYS H 1 44 PRO HB3 . . 5.500 5.519 5.517 5.521 0.021 15 0 "[ . 1 . 2]" 2
88 1 49 ILE HA 1 50 CYS H . . 3.170 2.151 2.146 2.159 . 0 0 "[ . 1 . 2]" 2
89 1 43 ILE HB 1 43 ILE MD . . 3.430 2.539 2.069 3.230 . 0 0 "[ . 1 . 2]" 2
90 1 49 ILE HA 1 49 ILE MD . . 3.970 3.853 3.818 3.873 . 0 0 "[ . 1 . 2]" 2
91 1 49 ILE MD 1 53 CYS HB3 . . 5.080 4.252 4.133 4.317 . 0 0 "[ . 1 . 2]" 2
92 1 21 LEU H 1 21 LEU HB2 . . 3.590 2.506 2.505 2.507 . 0 0 "[ . 1 . 2]" 2
93 1 21 LEU HB2 1 21 LEU MD1 . . 3.340 2.025 1.982 2.054 . 0 0 "[ . 1 . 2]" 2
94 1 31 TYR H 1 31 TYR HB2 . . 3.750 2.918 2.852 2.937 . 0 0 "[ . 1 . 2]" 2
95 1 36 LEU H 1 36 LEU HB2 . . 3.930 2.471 2.449 2.476 . 0 0 "[ . 1 . 2]" 2
96 1 22 LEU H 1 22 LEU HB3 . . 3.500 2.779 2.757 2.829 . 0 0 "[ . 1 . 2]" 2
97 1 22 LEU H 1 22 LEU HB2 . . 3.800 2.360 2.292 2.421 . 0 0 "[ . 1 . 2]" 2
98 1 36 LEU MD1 1 40 LEU HB2 . . 3.570 1.886 1.881 1.889 . 0 0 "[ . 1 . 2]" 2
99 1 37 ASP H 1 37 ASP HB2 . . 3.860 3.038 2.758 3.487 . 0 0 "[ . 1 . 2]" 2
100 1 37 ASP H 1 37 ASP HB3 . . 3.860 3.235 2.809 3.795 . 0 0 "[ . 1 . 2]" 2
101 1 25 ASP HB2 1 48 TRP H . . 4.260 4.147 4.052 4.236 . 0 0 "[ . 1 . 2]" 2
102 1 25 ASP H 1 25 ASP HB2 . . 3.340 2.402 2.345 2.500 . 0 0 "[ . 1 . 2]" 2
103 1 25 ASP HB3 1 26 THR MG . . 4.470 4.352 4.289 4.405 . 0 0 "[ . 1 . 2]" 2
104 1 25 ASP HB3 1 49 ILE MD . . 4.480 4.219 3.962 4.358 . 0 0 "[ . 1 . 2]" 2
105 1 12 CYS HB3 1 32 HIS HE1 . . 3.960 3.590 3.536 3.630 . 0 0 "[ . 1 . 2]" 2
106 1 10 ASP H 1 10 ASP HB3 . . 4.020 3.798 3.295 3.967 . 0 0 "[ . 1 . 2]" 2
107 1 11 PHE HB3 1 12 CYS H . . 3.980 3.022 2.984 3.058 . 0 0 "[ . 1 . 2]" 2
108 1 11 PHE HB2 1 16 ARG HA . . 3.950 3.952 3.950 3.953 0.003 15 0 "[ . 1 . 2]" 2
109 1 55 ASP H 1 55 ASP HB2 . . 4.200 2.576 2.106 3.944 . 0 0 "[ . 1 . 2]" 2
110 1 33 LEU HB2 1 34 ASP H . . 3.860 3.074 3.048 3.103 . 0 0 "[ . 1 . 2]" 2
111 1 49 ILE H 1 49 ILE HB . . 3.480 2.854 2.808 2.894 . 0 0 "[ . 1 . 2]" 2
112 1 49 ILE HB 1 49 ILE MD . . 3.480 2.373 2.335 2.414 . 0 0 "[ . 1 . 2]" 2
113 1 43 ILE H 1 43 ILE HB . . 3.300 2.533 2.518 2.538 . 0 0 "[ . 1 . 2]" 2
114 1 31 TYR H 1 31 TYR QD . . 3.810 3.234 3.075 3.348 . 0 0 "[ . 1 . 2]" 2
115 1 31 TYR QD 1 36 LEU MD2 . . 3.820 3.297 3.276 3.339 . 0 0 "[ . 1 . 2]" 2
116 1 9 GLU HA 1 11 PHE QD . . 5.010 4.542 4.199 4.835 . 0 0 "[ . 1 . 2]" 2
117 1 30 VAL HB 1 31 TYR H . . 3.670 2.773 2.695 2.979 . 0 0 "[ . 1 . 2]" 2
118 1 21 LEU HB2 1 30 VAL HB . . 3.880 3.551 3.407 3.718 . 0 0 "[ . 1 . 2]" 2
119 1 21 LEU HB3 1 30 VAL HB . . 3.240 2.122 1.999 2.337 . 0 0 "[ . 1 . 2]" 2
120 1 49 ILE MG 1 54 GLN HG3 . . 3.990 3.448 3.082 3.781 . 0 0 "[ . 1 . 2]" 2
121 1 14 VAL HB 1 15 CYS H . . 3.400 2.503 2.465 2.518 . 0 0 "[ . 1 . 2]" 2
122 1 13 SER H 1 13 SER HB3 . . 3.970 3.182 2.993 3.566 . 0 0 "[ . 1 . 2]" 2
123 1 13 SER H 1 13 SER HB2 . . 3.560 2.330 2.296 2.360 . 0 0 "[ . 1 . 2]" 2
124 1 39 PRO HB3 1 40 LEU H . . 4.170 3.623 3.544 3.647 . 0 0 "[ . 1 . 2]" 2
125 1 15 CYS H 1 15 CYS HB3 . . 3.730 2.982 2.959 3.020 . 0 0 "[ . 1 . 2]" 2
126 1 24 CYS H 1 24 CYS HB3 . . 3.970 2.487 2.479 2.494 . 0 0 "[ . 1 . 2]" 2
127 1 12 CYS H 1 12 CYS HB3 . . 3.350 2.650 2.616 2.678 . 0 0 "[ . 1 . 2]" 2
128 1 12 CYS HB3 1 17 LYS H . . 3.600 2.559 2.398 2.661 . 0 0 "[ . 1 . 2]" 2
129 1 12 CYS HB3 1 21 LEU MD2 . . 4.010 3.838 3.721 3.918 . 0 0 "[ . 1 . 2]" 2
130 1 12 CYS HB3 1 16 ARG H . . 3.850 1.950 1.948 1.951 . 0 0 "[ . 1 . 2]" 2
131 1 24 CYS HB2 1 50 CYS HB3 . . 3.450 2.556 2.537 2.572 . 0 0 "[ . 1 . 2]" 2
132 1 23 MET HG2 1 30 VAL MG1 . . 4.080 2.531 2.325 2.823 . 0 0 "[ . 1 . 2]" 2
133 1 12 CYS H 1 12 CYS HB2 . . 3.230 2.415 2.390 2.446 . 0 0 "[ . 1 . 2]" 2
134 1 32 HIS H 1 32 HIS HB3 . . 4.020 3.515 3.498 3.522 . 0 0 "[ . 1 . 2]" 2
135 1 32 HIS HB3 1 35 CYS H . . 3.870 2.504 2.419 2.544 . 0 0 "[ . 1 . 2]" 2
136 1 32 HIS HB3 1 35 CYS HB2 . . 3.880 3.437 3.394 3.466 . 0 0 "[ . 1 . 2]" 2
137 1 39 PRO HA 1 40 LEU H . . 3.000 2.288 2.274 2.336 . 0 0 "[ . 1 . 2]" 2
138 1 36 LEU HB3 1 39 PRO HA . . 3.940 3.219 3.212 3.223 . 0 0 "[ . 1 . 2]" 2
139 1 36 LEU HB2 1 39 PRO HA . . 3.940 1.979 1.978 1.980 . 0 0 "[ . 1 . 2]" 2
140 1 50 CYS H 1 50 CYS HB2 . . 3.870 3.570 3.567 3.572 . 0 0 "[ . 1 . 2]" 2
141 1 24 CYS HB2 1 50 CYS HB2 . . 4.210 4.209 4.201 4.215 0.005 18 0 "[ . 1 . 2]" 2
142 1 31 TYR QE 1 50 CYS HB3 . . 3.820 2.758 2.561 2.882 . 0 0 "[ . 1 . 2]" 2
143 1 48 TRP HA 1 48 TRP HD1 . . 3.710 3.095 3.058 3.130 . 0 0 "[ . 1 . 2]" 2
144 1 48 TRP HB2 1 48 TRP HD1 . . 3.780 2.702 2.690 2.717 . 0 0 "[ . 1 . 2]" 2
145 1 48 TRP H 1 48 TRP HB3 . . 3.820 2.529 2.514 2.542 . 0 0 "[ . 1 . 2]" 2
146 1 48 TRP H 1 48 TRP HB2 . . 3.980 2.753 2.714 2.794 . 0 0 "[ . 1 . 2]" 2
147 1 35 CYS H 1 35 CYS HB3 . . 3.850 3.685 3.663 3.689 . 0 0 "[ . 1 . 2]" 2
148 1 32 HIS HB2 1 35 CYS HB3 . . 4.050 3.630 3.605 3.635 . 0 0 "[ . 1 . 2]" 2
149 1 14 VAL HB 1 35 CYS HB3 . . 3.200 2.330 2.269 2.409 . 0 0 "[ . 1 . 2]" 2
150 1 35 CYS H 1 35 CYS HB2 . . 3.370 2.641 2.635 2.643 . 0 0 "[ . 1 . 2]" 2
151 1 32 HIS HB2 1 35 CYS HB2 . . 3.620 1.999 1.996 2.001 . 0 0 "[ . 1 . 2]" 2
152 1 14 VAL HB 1 35 CYS HB2 . . 3.700 3.218 3.159 3.299 . 0 0 "[ . 1 . 2]" 2
153 1 32 HIS H 1 35 CYS HB2 . . 3.820 2.954 2.898 2.971 . 0 0 "[ . 1 . 2]" 2
154 1 29 ARG HA 1 29 ARG HG3 . . 4.180 3.449 2.311 3.841 . 0 0 "[ . 1 . 2]" 2
155 1 53 CYS H 1 53 CYS HB2 . . 3.550 2.242 2.237 2.246 . 0 0 "[ . 1 . 2]" 2
156 1 53 CYS HB2 1 54 GLN H . . 4.020 2.523 2.490 2.542 . 0 0 "[ . 1 . 2]" 2
157 1 49 ILE MG 1 53 CYS HB2 . . 3.250 2.025 1.964 2.089 . 0 0 "[ . 1 . 2]" 2
158 1 53 CYS H 1 53 CYS HB3 . . 3.700 3.529 3.526 3.532 . 0 0 "[ . 1 . 2]" 2
159 1 49 ILE MG 1 53 CYS HB3 . . 3.230 2.578 2.544 2.610 . 0 0 "[ . 1 . 2]" 2
160 1 54 GLN H 1 54 GLN HB3 . . 3.790 3.588 3.585 3.592 . 0 0 "[ . 1 . 2]" 2
161 1 51 PRO HA 1 54 GLN HB2 . . 3.790 2.922 2.867 3.002 . 0 0 "[ . 1 . 2]" 2
162 1 43 ILE H 1 43 ILE HG13 . . 3.940 2.758 2.123 3.649 . 0 0 "[ . 1 . 2]" 2
163 1 43 ILE HA 1 43 ILE HG13 . . 4.010 3.042 2.348 3.727 . 0 0 "[ . 1 . 2]" 2
164 1 33 LEU MD1 1 43 ILE HA . . 3.930 3.592 3.396 3.790 . 0 0 "[ . 1 . 2]" 2
165 1 42 THR HA 1 42 THR MG . . 3.410 2.404 2.372 2.451 . 0 0 "[ . 1 . 2]" 2
166 1 42 THR HA 1 43 ILE H . . 3.070 2.689 2.689 2.690 . 0 0 "[ . 1 . 2]" 2
167 1 22 LEU MD2 1 44 PRO HG2 . . 4.150 2.834 2.573 2.972 . 0 0 "[ . 1 . 2]" 2
168 1 40 LEU H 1 40 LEU HG . . 3.850 3.802 3.792 3.826 . 0 0 "[ . 1 . 2]" 2
169 1 36 LEU MD1 1 40 LEU HG . . 3.300 2.322 2.305 2.374 . 0 0 "[ . 1 . 2]" 2
170 1 33 LEU HA 1 33 LEU HG . . 3.660 2.834 2.775 2.898 . 0 0 "[ . 1 . 2]" 2
171 1 33 LEU HA 1 36 LEU MD1 . . 3.410 2.490 2.342 2.535 . 0 0 "[ . 1 . 2]" 2
172 1 33 LEU HA 1 33 LEU MD1 . . 4.560 3.821 3.811 3.831 . 0 0 "[ . 1 . 2]" 2
173 1 33 LEU HA 1 40 LEU MD1 . . 4.720 3.414 3.354 3.554 . 0 0 "[ . 1 . 2]" 2
174 1 49 ILE HG12 1 49 ILE MG . . 3.620 2.361 2.316 2.409 . 0 0 "[ . 1 . 2]" 2
175 1 36 LEU HB3 1 36 LEU MD1 . . 3.370 2.309 2.295 2.361 . 0 0 "[ . 1 . 2]" 2
176 1 36 LEU HB2 1 36 LEU MD1 . . 3.370 2.312 2.276 2.323 . 0 0 "[ . 1 . 2]" 2
177 1 31 TYR QD 1 48 TRP HH2 . . 3.540 2.913 2.810 2.981 . 0 0 "[ . 1 . 2]" 2
178 1 48 TRP HH2 1 50 CYS HA . . 3.940 2.569 2.540 2.589 . 0 0 "[ . 1 . 2]" 2
179 1 48 TRP HH2 1 50 CYS HB2 . . 3.900 3.386 3.305 3.495 . 0 0 "[ . 1 . 2]" 2
180 1 36 LEU MD2 1 48 TRP HH2 . . 3.580 2.305 2.080 2.432 . 0 0 "[ . 1 . 2]" 2
181 1 12 CYS HA 1 21 LEU MD1 . . 3.780 2.861 2.797 2.887 . 0 0 "[ . 1 . 2]" 2
182 1 12 CYS HA 1 21 LEU MD2 . . 3.930 1.927 1.882 1.996 . 0 0 "[ . 1 . 2]" 2
183 1 29 ARG HA 1 30 VAL H . . 3.300 2.233 2.171 2.324 . 0 0 "[ . 1 . 2]" 2
184 1 30 VAL HA 1 31 TYR H . . 3.060 2.258 2.199 2.283 . 0 0 "[ . 1 . 2]" 2
185 1 30 VAL HA 1 31 TYR QD . . 3.880 3.558 3.383 3.768 . 0 0 "[ . 1 . 2]" 2
186 1 30 VAL HA 1 30 VAL MG1 . . 3.330 2.300 2.182 2.389 . 0 0 "[ . 1 . 2]" 2
187 1 21 LEU MD1 1 30 VAL HB . . 3.910 3.077 2.901 3.184 . 0 0 "[ . 1 . 2]" 2
188 1 21 LEU HB3 1 21 LEU MD1 . . 3.450 2.706 2.660 2.756 . 0 0 "[ . 1 . 2]" 2
189 1 48 TRP HB3 1 48 TRP HE3 . . 3.500 2.526 2.510 2.539 . 0 0 "[ . 1 . 2]" 2
190 1 52 ARG HA 1 52 ARG HD2 . . 5.010 3.581 2.706 4.357 . 0 0 "[ . 1 . 2]" 2
191 1 52 ARG HA 1 52 ARG HD3 . . 5.010 3.304 2.536 4.078 . 0 0 "[ . 1 . 2]" 2
192 1 52 ARG HA 1 52 ARG HG2 . . 4.180 2.479 2.029 3.574 . 0 0 "[ . 1 . 2]" 2
193 1 11 PHE HB3 1 16 ARG HA . . 3.670 2.938 2.892 2.977 . 0 0 "[ . 1 . 2]" 2
194 1 31 TYR HA 1 32 HIS H . . 3.100 2.174 2.168 2.178 . 0 0 "[ . 1 . 2]" 2
195 1 12 CYS HA 1 31 TYR HA . . 3.950 3.065 3.005 3.174 . 0 0 "[ . 1 . 2]" 2
196 1 48 TRP HZ2 1 50 CYS HA . . 3.780 3.149 3.039 3.251 . 0 0 "[ . 1 . 2]" 2
197 1 40 LEU MD1 1 48 TRP HE1 . . 3.840 2.154 1.932 2.307 . 0 0 "[ . 1 . 2]" 2
198 1 40 LEU HB2 1 40 LEU MD1 . . 3.190 2.263 2.241 2.338 . 0 0 "[ . 1 . 2]" 2
199 1 40 LEU HB3 1 40 LEU MD1 . . 3.460 2.361 2.291 2.395 . 0 0 "[ . 1 . 2]" 2
200 1 22 LEU MD2 1 40 LEU MD1 . . 3.330 2.730 2.684 2.782 . 0 0 "[ . 1 . 2]" 2
201 1 54 GLN HA 1 54 GLN HG2 . . 3.900 2.515 2.433 2.640 . 0 0 "[ . 1 . 2]" 2
202 1 54 GLN HA 1 54 GLN HG3 . . 3.900 3.696 3.583 3.759 . 0 0 "[ . 1 . 2]" 2
203 1 40 LEU MD1 1 44 PRO HA . . 4.610 3.857 3.787 3.966 . 0 0 "[ . 1 . 2]" 2
204 1 33 LEU HB3 1 33 LEU MD1 . . 3.350 2.394 2.293 2.475 . 0 0 "[ . 1 . 2]" 2
205 1 40 LEU HB3 1 41 LYS HA . . 4.550 4.023 4.007 4.052 . 0 0 "[ . 1 . 2]" 2
206 1 22 LEU HB3 1 22 LEU MD2 . . 3.530 2.230 2.197 2.361 . 0 0 "[ . 1 . 2]" 2
207 1 47 MET HA 1 48 TRP H . . 3.020 2.172 2.162 2.174 . 0 0 "[ . 1 . 2]" 2
208 1 9 GLU HA 1 10 ASP H . . 3.110 2.646 2.447 2.712 . 0 0 "[ . 1 . 2]" 2
209 1 9 GLU HA 1 9 GLU HG2 . . 3.890 2.789 2.530 3.338 . 0 0 "[ . 1 . 2]" 2
210 1 9 GLU HA 1 9 GLU HG3 . . 3.890 3.555 3.216 3.849 . 0 0 "[ . 1 . 2]" 2
211 1 20 GLN HA 1 21 LEU H . . 2.840 2.165 2.154 2.180 . 0 0 "[ . 1 . 2]" 2
212 1 31 TYR QD 1 48 TRP HZ3 . . 3.680 3.427 3.278 3.521 . 0 0 "[ . 1 . 2]" 2
213 1 33 LEU MD2 1 43 ILE HA . . 3.580 3.009 2.961 3.072 . 0 0 "[ . 1 . 2]" 2
214 1 33 LEU HA 1 33 LEU MD2 . . 3.170 2.138 2.064 2.208 . 0 0 "[ . 1 . 2]" 2
215 1 33 LEU HB3 1 33 LEU MD2 . . 3.480 2.264 2.229 2.301 . 0 0 "[ . 1 . 2]" 2
216 1 33 LEU MD2 1 40 LEU HB3 . . 3.340 2.328 2.157 2.488 . 0 0 "[ . 1 . 2]" 2
217 1 33 LEU MD2 1 40 LEU MD1 . . 3.700 2.436 2.301 2.596 . 0 0 "[ . 1 . 2]" 2
218 1 22 LEU MD2 1 33 LEU MD2 . . 3.340 2.315 2.074 2.424 . 0 0 "[ . 1 . 2]" 2
219 1 22 LEU MD1 1 23 MET H . . 3.560 2.669 2.572 2.801 . 0 0 "[ . 1 . 2]" 2
220 1 22 LEU HA 1 22 LEU MD1 . . 3.360 2.118 2.044 2.176 . 0 0 "[ . 1 . 2]" 2
221 1 22 LEU MD1 1 44 PRO HD2 . . 3.560 2.834 2.760 2.904 . 0 0 "[ . 1 . 2]" 2
222 1 22 LEU MD1 1 44 PRO HG2 . . 4.310 3.201 3.060 3.356 . 0 0 "[ . 1 . 2]" 2
223 1 22 LEU MD1 1 44 PRO HG3 . . 4.310 3.503 3.377 3.577 . 0 0 "[ . 1 . 2]" 2
224 1 8 HIS HB3 1 30 VAL MG1 . . 4.180 3.062 2.623 3.780 . 0 0 "[ . 1 . 2]" 2
225 1 23 MET HG3 1 30 VAL MG1 . . 4.080 3.922 3.714 4.055 . 0 0 "[ . 1 . 2]" 2
226 1 36 LEU MD2 1 48 TRP HZ2 . . 3.310 2.330 2.045 2.442 . 0 0 "[ . 1 . 2]" 2
227 1 36 LEU MD2 1 51 PRO HD3 . . 3.810 2.737 2.484 2.879 . 0 0 "[ . 1 . 2]" 2
228 1 31 TYR HB3 1 36 LEU MD2 . . 3.930 2.065 1.985 2.212 . 0 0 "[ . 1 . 2]" 2
229 1 36 LEU MD2 1 51 PRO HG3 . . 3.530 3.163 3.014 3.378 . 0 0 "[ . 1 . 2]" 2
230 1 21 LEU MD2 1 32 HIS HD2 . . 3.960 2.627 2.431 2.812 . 0 0 "[ . 1 . 2]" 2
231 1 40 LEU HA 1 40 LEU MD2 . . 3.170 2.050 1.976 2.146 . 0 0 "[ . 1 . 2]" 2
232 1 40 LEU HB3 1 40 LEU MD2 . . 3.310 2.314 2.285 2.369 . 0 0 "[ . 1 . 2]" 2
233 1 29 ARG HB3 1 31 TYR QE . . 3.920 3.048 2.799 3.213 . 0 0 "[ . 1 . 2]" 2
234 1 14 VAL MG2 1 31 TYR QE . . 3.660 3.661 3.657 3.667 0.007 19 0 "[ . 1 . 2]" 2
235 1 29 ARG HB2 1 31 TYR QE . . 3.910 2.232 2.067 2.536 . 0 0 "[ . 1 . 2]" 2
236 1 11 PHE HA 1 12 CYS H . . 3.160 2.208 2.199 2.218 . 0 0 "[ . 1 . 2]" 2
237 1 11 PHE HA 1 11 PHE QD . . 3.970 2.846 2.715 3.005 . 0 0 "[ . 1 . 2]" 2
238 1 11 PHE HA 1 21 LEU MD1 . . 3.860 2.171 2.110 2.353 . 0 0 "[ . 1 . 2]" 2
239 1 36 LEU HA 1 37 ASP H . . 2.970 2.609 2.608 2.610 . 0 0 "[ . 1 . 2]" 2
240 1 36 LEU HA 1 36 LEU HG . . 3.920 2.928 2.854 2.946 . 0 0 "[ . 1 . 2]" 2
241 1 36 LEU HA 1 36 LEU MD2 . . 3.140 2.063 1.962 2.173 . 0 0 "[ . 1 . 2]" 2
242 1 26 THR HA 1 26 THR MG . . 3.190 2.092 1.977 2.146 . 0 0 "[ . 1 . 2]" 2
243 1 26 THR MG 1 53 CYS HB3 . . 4.160 3.907 3.753 4.050 . 0 0 "[ . 1 . 2]" 2
244 1 26 THR MG 1 49 ILE MG . . 3.850 3.416 3.292 3.552 . 0 0 "[ . 1 . 2]" 2
245 1 26 THR MG 1 49 ILE MD . . 4.200 3.389 2.978 3.526 . 0 0 "[ . 1 . 2]" 2
246 1 12 CYS H 1 21 LEU MD2 . . 3.990 3.222 3.128 3.321 . 0 0 "[ . 1 . 2]" 2
247 1 21 LEU HA 1 21 LEU MD2 . . 3.250 2.609 2.471 2.716 . 0 0 "[ . 1 . 2]" 2
248 1 12 CYS HB2 1 21 LEU MD2 . . 3.450 2.510 2.358 2.585 . 0 0 "[ . 1 . 2]" 2
249 1 21 LEU HB3 1 21 LEU MD2 . . 3.400 2.142 2.109 2.195 . 0 0 "[ . 1 . 2]" 2
250 1 21 LEU MD2 1 30 VAL MG2 . . 3.430 2.263 2.029 2.531 . 0 0 "[ . 1 . 2]" 2
251 1 22 LEU HA 1 23 MET H . . 2.980 2.308 2.293 2.312 . 0 0 "[ . 1 . 2]" 2
252 1 14 VAL H 1 14 VAL MG2 . . 3.370 3.036 2.956 3.082 . 0 0 "[ . 1 . 2]" 2
253 1 14 VAL MG2 1 31 TYR QD . . 3.290 2.656 2.602 2.734 . 0 0 "[ . 1 . 2]" 2
254 1 14 VAL HA 1 14 VAL MG2 . . 3.100 2.369 2.324 2.412 . 0 0 "[ . 1 . 2]" 2
255 1 14 VAL MG2 1 35 CYS HB3 . . 3.520 2.729 2.568 2.826 . 0 0 "[ . 1 . 2]" 2
256 1 14 VAL MG2 1 35 CYS HB2 . . 3.970 3.377 3.224 3.475 . 0 0 "[ . 1 . 2]" 2
257 1 14 VAL MG1 1 15 CYS H . . 3.820 3.392 3.343 3.470 . 0 0 "[ . 1 . 2]" 2
258 1 14 VAL HA 1 14 VAL MG1 . . 3.090 2.331 2.270 2.392 . 0 0 "[ . 1 . 2]" 2
259 1 14 VAL MG1 1 35 CYS HB3 . . 3.440 2.562 2.421 2.698 . 0 0 "[ . 1 . 2]" 2
260 1 14 VAL MG1 1 15 CYS HB3 . . 3.710 3.269 3.206 3.378 . 0 0 "[ . 1 . 2]" 2
261 1 30 VAL H 1 30 VAL MG2 . . 3.660 1.982 1.922 2.136 . 0 0 "[ . 1 . 2]" 2
262 1 12 CYS HA 1 30 VAL MG2 . . 3.670 2.848 2.715 3.036 . 0 0 "[ . 1 . 2]" 2
263 1 9 GLU HB2 1 30 VAL MG2 . . 3.930 2.028 1.957 2.373 . 0 0 "[ . 1 . 2]" 2
264 1 43 ILE HA 1 44 PRO HD3 . . 2.830 2.367 2.366 2.368 . 0 0 "[ . 1 . 2]" 2
265 1 43 ILE MG 1 44 PRO HD3 . . 3.760 3.662 3.660 3.664 . 0 0 "[ . 1 . 2]" 2
266 1 40 LEU MD1 1 44 PRO HD3 . . 3.640 2.591 2.503 2.743 . 0 0 "[ . 1 . 2]" 2
267 1 22 LEU MD1 1 44 PRO HD3 . . 4.060 3.812 3.722 3.914 . 0 0 "[ . 1 . 2]" 2
268 1 22 LEU MD2 1 44 PRO HD3 . . 3.810 3.404 3.357 3.467 . 0 0 "[ . 1 . 2]" 2
269 1 43 ILE HA 1 44 PRO HD2 . . 3.000 1.943 1.943 1.944 . 0 0 "[ . 1 . 2]" 2
270 1 43 ILE MG 1 44 PRO HD2 . . 3.360 2.346 2.333 2.350 . 0 0 "[ . 1 . 2]" 2
271 1 22 LEU MD2 1 44 PRO HD2 . . 3.740 3.277 3.215 3.367 . 0 0 "[ . 1 . 2]" 2
272 1 49 ILE MG 1 50 CYS H . . 3.880 2.496 2.299 2.684 . 0 0 "[ . 1 . 2]" 2
273 1 49 ILE HA 1 49 ILE MG . . 3.460 2.309 2.229 2.377 . 0 0 "[ . 1 . 2]" 2
274 1 49 ILE MG 1 54 GLN HG2 . . 3.990 2.549 2.205 2.770 . 0 0 "[ . 1 . 2]" 2
275 1 49 ILE HG13 1 49 ILE MG . . 3.620 3.194 3.185 3.203 . 0 0 "[ . 1 . 2]" 2
276 1 48 TRP HZ2 1 51 PRO HD3 . . 3.690 3.003 2.940 3.045 . 0 0 "[ . 1 . 2]" 2
277 1 36 LEU MD1 1 48 TRP HZ2 . . 3.370 2.006 1.969 2.082 . 0 0 "[ . 1 . 2]" 2
278 1 38 PRO HA 1 39 PRO HD2 . . 3.280 2.540 2.539 2.542 . 0 0 "[ . 1 . 2]" 2
279 1 38 PRO HA 1 39 PRO HD3 . . 3.280 2.370 2.369 2.371 . 0 0 "[ . 1 . 2]" 2
280 1 38 PRO HB3 1 39 PRO HD3 . . 3.980 3.766 3.764 3.768 . 0 0 "[ . 1 . 2]" 2
281 1 50 CYS HB3 1 51 PRO HD2 . . 3.900 3.463 3.461 3.474 . 0 0 "[ . 1 . 2]" 2
282 1 36 LEU MD2 1 51 PRO HD2 . . 3.930 3.122 2.998 3.248 . 0 0 "[ . 1 . 2]" 2
283 1 43 ILE HA 1 43 ILE MG . . 3.250 2.340 2.334 2.342 . 0 0 "[ . 1 . 2]" 2
284 1 43 ILE HG12 1 43 ILE MG . . 3.720 2.463 1.963 3.185 . 0 0 "[ . 1 . 2]" 2
285 1 22 LEU MD1 1 43 ILE MG . . 3.680 3.678 3.654 3.682 0.002 13 0 "[ . 1 . 2]" 2
286 1 9 GLU HG2 1 10 ASP H . . 5.500 4.427 4.209 4.724 . 0 0 "[ . 1 . 2]" 2
287 1 9 GLU HG3 1 10 ASP H . . 5.500 4.669 4.385 5.022 . 0 0 "[ . 1 . 2]" 2
288 1 10 ASP HA 1 21 LEU MD1 . . 4.700 3.381 3.292 3.467 . 0 0 "[ . 1 . 2]" 2
289 1 11 PHE HA 1 21 LEU MD2 . . 4.880 4.086 4.025 4.218 . 0 0 "[ . 1 . 2]" 2
290 1 11 PHE HA 1 12 CYS HA . . 4.970 4.316 4.312 4.319 . 0 0 "[ . 1 . 2]" 2
291 1 11 PHE HB3 1 16 ARG H . . 5.100 5.075 5.050 5.097 . 0 0 "[ . 1 . 2]" 2
292 1 12 CYS HB3 1 21 LEU MD1 . . 4.800 3.987 3.916 4.069 . 0 0 "[ . 1 . 2]" 2
293 1 12 CYS HB3 1 16 ARG HA . . 4.550 2.782 2.736 2.827 . 0 0 "[ . 1 . 2]" 2
294 1 12 CYS HB2 1 21 LEU MD1 . . 4.510 2.984 2.887 3.082 . 0 0 "[ . 1 . 2]" 2
295 1 12 CYS HB2 1 16 ARG H . . 4.280 3.704 3.701 3.706 . 0 0 "[ . 1 . 2]" 2
296 1 12 CYS HB2 1 13 SER H . . 4.890 4.157 4.124 4.175 . 0 0 "[ . 1 . 2]" 2
297 1 12 CYS HB2 1 32 HIS HE1 . . 4.030 2.962 2.922 2.988 . 0 0 "[ . 1 . 2]" 2
298 1 13 SER HB3 1 29 ARG HB3 . . 5.010 4.738 4.529 4.879 . 0 0 "[ . 1 . 2]" 2
299 1 13 SER HB3 1 31 TYR QE . . 4.910 2.199 1.996 2.694 . 0 0 "[ . 1 . 2]" 2
300 1 13 SER HB3 1 14 VAL H . . 4.950 4.256 4.195 4.377 . 0 0 "[ . 1 . 2]" 2
301 1 13 SER HB2 1 14 VAL MG2 . . 4.820 3.916 3.379 4.190 . 0 0 "[ . 1 . 2]" 2
302 1 13 SER HB2 1 29 ARG HB3 . . 4.510 4.036 3.769 4.280 . 0 0 "[ . 1 . 2]" 2
303 1 13 SER HB2 1 29 ARG HB2 . . 5.500 5.499 5.496 5.501 0.001 20 0 "[ . 1 . 2]" 2
304 1 13 SER HB2 1 30 VAL H . . 5.110 4.033 3.692 4.584 . 0 0 "[ . 1 . 2]" 2
305 1 13 SER HB2 1 14 VAL H . . 4.720 4.416 4.245 4.493 . 0 0 "[ . 1 . 2]" 2
306 1 51 PRO HA 1 54 GLN HE21 . . 5.500 5.128 3.796 5.494 . 0 0 "[ . 1 . 2]" 2
307 1 51 PRO HA 1 54 GLN H . . 4.140 3.593 3.561 3.639 . 0 0 "[ . 1 . 2]" 2
308 1 14 VAL H 1 14 VAL HB . . 3.480 2.909 2.904 2.913 . 0 0 "[ . 1 . 2]" 2
309 1 14 VAL HB 1 15 CYS HB3 . . 4.540 3.837 3.817 3.866 . 0 0 "[ . 1 . 2]" 2
310 1 14 VAL MG2 1 36 LEU MD2 . . 4.620 4.278 4.142 4.494 . 0 0 "[ . 1 . 2]" 2
311 1 14 VAL MG2 1 31 TYR HA . . 4.860 4.132 4.073 4.220 . 0 0 "[ . 1 . 2]" 2
312 1 14 VAL MG2 1 15 CYS H . . 4.340 3.773 3.734 3.785 . 0 0 "[ . 1 . 2]" 2
313 1 14 VAL MG1 1 35 CYS HA . . 4.300 3.819 3.666 3.977 . 0 0 "[ . 1 . 2]" 2
314 1 14 VAL H 1 14 VAL MG1 . . 4.280 3.944 3.939 3.956 . 0 0 "[ . 1 . 2]" 2
315 1 14 VAL MG1 1 15 CYS HB2 . . 4.980 4.708 4.656 4.824 . 0 0 "[ . 1 . 2]" 2
316 1 15 CYS H 1 15 CYS HB2 . . 4.110 3.761 3.748 3.767 . 0 0 "[ . 1 . 2]" 2
317 1 15 CYS HB2 1 17 LYS H . . 5.500 5.420 5.261 5.500 0.000 4 0 "[ . 1 . 2]" 2
318 1 16 ARG HA 1 16 ARG HD2 . . 5.450 4.290 2.866 4.963 . 0 0 "[ . 1 . 2]" 2
319 1 16 ARG HA 1 16 ARG HD3 . . 5.450 4.048 2.514 4.733 . 0 0 "[ . 1 . 2]" 2
320 1 11 PHE QD 1 16 ARG HA . . 4.870 4.709 4.564 4.787 . 0 0 "[ . 1 . 2]" 2
321 1 16 ARG H 1 16 ARG HG3 . . 4.480 3.419 2.599 4.481 0.001 4 0 "[ . 1 . 2]" 2
322 1 17 LYS H 1 17 LYS HG2 . . 4.750 4.273 2.989 4.742 . 0 0 "[ . 1 . 2]" 2
323 1 17 LYS H 1 17 LYS HG3 . . 4.750 4.234 3.612 4.740 . 0 0 "[ . 1 . 2]" 2
324 1 11 PHE QE 1 18 SER HB2 . . 5.000 4.664 3.528 4.999 . 0 0 "[ . 1 . 2]" 2
325 1 11 PHE QE 1 18 SER HB3 . . 5.000 4.715 3.952 5.001 0.001 10 0 "[ . 1 . 2]" 2
326 1 20 GLN HA 1 21 LEU HG . . 5.030 4.938 4.893 4.990 . 0 0 "[ . 1 . 2]" 2
327 1 20 GLN HA 1 21 LEU HB3 . . 5.500 5.502 5.494 5.507 0.007 8 0 "[ . 1 . 2]" 2
328 1 20 GLN HA 1 21 LEU HB2 . . 4.950 4.138 4.125 4.152 . 0 0 "[ . 1 . 2]" 2
329 1 20 GLN HA 1 20 GLN HG3 . . 4.060 2.770 2.084 3.955 . 0 0 "[ . 1 . 2]" 2
330 1 20 GLN HA 1 20 GLN HG2 . . 4.060 3.060 2.142 4.046 . 0 0 "[ . 1 . 2]" 2
331 1 21 LEU HB2 1 22 LEU H . . 4.380 4.140 4.086 4.186 . 0 0 "[ . 1 . 2]" 2
332 1 21 LEU H 1 21 LEU MD1 . . 4.420 3.965 3.880 4.047 . 0 0 "[ . 1 . 2]" 2
333 1 20 GLN H 1 21 LEU MD1 . . 5.500 5.500 5.497 5.501 0.001 2 0 "[ . 1 . 2]" 2
334 1 21 LEU MD2 1 30 VAL HB . . 4.080 2.389 2.175 2.503 . 0 0 "[ . 1 . 2]" 2
335 1 21 LEU MD2 1 32 HIS HA . . 4.380 2.532 2.305 2.650 . 0 0 "[ . 1 . 2]" 2
336 1 21 LEU MD2 1 32 HIS H . . 4.240 2.410 2.383 2.522 . 0 0 "[ . 1 . 2]" 2
337 1 13 SER H 1 21 LEU MD2 . . 4.740 3.410 3.319 3.522 . 0 0 "[ . 1 . 2]" 2
338 1 21 LEU MD2 1 22 LEU H . . 4.180 2.474 2.350 2.609 . 0 0 "[ . 1 . 2]" 2
339 1 22 LEU HA 1 22 LEU MD2 . . 4.360 3.821 3.811 3.830 . 0 0 "[ . 1 . 2]" 2
340 1 22 LEU HB3 1 23 MET H . . 4.620 3.484 3.454 3.537 . 0 0 "[ . 1 . 2]" 2
341 1 22 LEU HB3 1 31 TYR H . . 4.920 3.104 3.038 3.209 . 0 0 "[ . 1 . 2]" 2
342 1 22 LEU HG 1 23 MET H . . 4.650 2.265 2.235 2.328 . 0 0 "[ . 1 . 2]" 2
343 1 22 LEU H 1 22 LEU HG . . 4.640 4.595 4.583 4.603 . 0 0 "[ . 1 . 2]" 2
344 1 22 LEU MD1 1 43 ILE HA . . 4.600 4.043 3.927 4.122 . 0 0 "[ . 1 . 2]" 2
345 1 22 LEU MD2 1 48 TRP HZ2 . . 4.600 3.547 3.399 3.740 . 0 0 "[ . 1 . 2]" 2
346 1 22 LEU MD2 1 48 TRP HD1 . . 4.980 4.465 4.278 4.589 . 0 0 "[ . 1 . 2]" 2
347 1 22 LEU H 1 22 LEU MD2 . . 4.870 4.261 4.224 4.293 . 0 0 "[ . 1 . 2]" 2
348 1 22 LEU MD2 1 23 MET H . . 5.060 3.944 3.920 3.988 . 0 0 "[ . 1 . 2]" 2
349 1 22 LEU MD2 1 48 TRP HE1 . . 4.710 4.100 3.933 4.278 . 0 0 "[ . 1 . 2]" 2
350 1 22 LEU H 1 30 VAL HB . . 4.880 3.982 3.820 4.136 . 0 0 "[ . 1 . 2]" 2
351 1 24 CYS HB3 1 48 TRP HZ3 . . 4.920 4.721 4.594 4.863 . 0 0 "[ . 1 . 2]" 2
352 1 24 CYS HB3 1 31 TYR QE . . 4.850 4.607 4.405 4.746 . 0 0 "[ . 1 . 2]" 2
353 1 24 CYS HB3 1 28 SER H . . 5.090 5.030 4.980 5.084 . 0 0 "[ . 1 . 2]" 2
354 1 24 CYS HB3 1 29 ARG H . . 4.550 3.103 3.067 3.152 . 0 0 "[ . 1 . 2]" 2
355 1 24 CYS HB3 1 50 CYS H . . 4.800 4.439 4.400 4.488 . 0 0 "[ . 1 . 2]" 2
356 1 24 CYS HB2 1 48 TRP HZ3 . . 4.190 3.134 2.994 3.281 . 0 0 "[ . 1 . 2]" 2
357 1 24 CYS HB2 1 31 TYR QE . . 4.170 3.595 3.423 3.712 . 0 0 "[ . 1 . 2]" 2
358 1 24 CYS H 1 24 CYS HB2 . . 4.030 2.711 2.638 2.796 . 0 0 "[ . 1 . 2]" 2
359 1 24 CYS HB2 1 29 ARG H . . 4.770 4.002 3.934 4.093 . 0 0 "[ . 1 . 2]" 2
360 1 24 CYS HB2 1 48 TRP HE3 . . 5.050 4.586 4.474 4.675 . 0 0 "[ . 1 . 2]" 2
361 1 24 CYS HB2 1 27 CYS H . . 4.760 4.319 4.287 4.352 . 0 0 "[ . 1 . 2]" 2
362 1 25 ASP HB2 1 47 MET HA . . 4.570 4.571 4.565 4.576 0.006 17 0 "[ . 1 . 2]" 2
363 1 25 ASP HB3 1 26 THR HA . . 5.500 4.792 4.744 4.890 . 0 0 "[ . 1 . 2]" 2
364 1 25 ASP HB2 1 49 ILE HA . . 5.500 4.657 4.511 4.803 . 0 0 "[ . 1 . 2]" 2
365 1 25 ASP HB3 1 49 ILE HA . . 5.500 4.788 4.586 4.886 . 0 0 "[ . 1 . 2]" 2
366 1 26 THR HB 1 49 ILE MG . . 4.900 3.736 3.655 3.826 . 0 0 "[ . 1 . 2]" 2
367 1 26 THR H 1 26 THR MG . . 4.490 3.951 3.928 3.963 . 0 0 "[ . 1 . 2]" 2
368 1 8 HIS HD2 1 28 SER HA . . 4.550 2.876 2.026 3.765 . 0 0 "[ . 1 . 2]" 2
369 1 29 ARG HA 1 30 VAL MG2 . . 4.400 3.642 3.506 3.794 . 0 0 "[ . 1 . 2]" 2
370 1 29 ARG HA 1 30 VAL MG1 . . 4.570 3.687 3.471 3.888 . 0 0 "[ . 1 . 2]" 2
371 1 9 GLU HB2 1 29 ARG HA . . 4.420 3.795 3.647 4.021 . 0 0 "[ . 1 . 2]" 2
372 1 29 ARG HB2 1 30 VAL H . . 5.060 3.890 3.646 4.140 . 0 0 "[ . 1 . 2]" 2
373 1 29 ARG HA 1 29 ARG HG2 . . 4.180 2.751 2.521 3.436 . 0 0 "[ . 1 . 2]" 2
374 1 29 ARG HA 1 29 ARG HD2 . . 5.500 4.375 3.402 5.016 . 0 0 "[ . 1 . 2]" 2
375 1 29 ARG HA 1 29 ARG HD3 . . 5.500 3.639 2.030 4.612 . 0 0 "[ . 1 . 2]" 2
376 1 29 ARG H 1 29 ARG HD2 . . 5.500 5.055 2.978 5.500 . 0 0 "[ . 1 . 2]" 2
377 1 29 ARG H 1 29 ARG HD3 . . 5.500 4.917 4.280 5.370 . 0 0 "[ . 1 . 2]" 2
378 1 8 HIS HB2 1 30 VAL MG1 . . 4.180 3.758 3.151 4.153 . 0 0 "[ . 1 . 2]" 2
379 1 23 MET HA 1 30 VAL MG1 . . 4.070 2.882 2.551 3.054 . 0 0 "[ . 1 . 2]" 2
380 1 8 HIS HD2 1 30 VAL MG1 . . 4.160 3.974 3.189 4.161 0.001 18 0 "[ . 1 . 2]" 2
381 1 30 VAL H 1 30 VAL MG1 . . 4.510 2.835 2.697 2.949 . 0 0 "[ . 1 . 2]" 2
382 1 23 MET H 1 30 VAL MG1 . . 4.860 4.812 4.584 4.862 0.002 11 0 "[ . 1 . 2]" 2
383 1 30 VAL MG1 1 31 TYR H . . 4.370 3.747 3.647 3.850 . 0 0 "[ . 1 . 2]" 2
384 1 21 LEU HB2 1 30 VAL MG2 . . 4.520 3.872 3.684 4.206 . 0 0 "[ . 1 . 2]" 2
385 1 9 GLU HG2 1 30 VAL MG2 . . 5.240 4.396 3.798 4.895 . 0 0 "[ . 1 . 2]" 2
386 1 9 GLU HG3 1 30 VAL MG2 . . 5.240 3.647 3.354 4.274 . 0 0 "[ . 1 . 2]" 2
387 1 10 ASP HA 1 30 VAL MG2 . . 4.650 3.080 2.994 3.241 . 0 0 "[ . 1 . 2]" 2
388 1 11 PHE H 1 30 VAL MG2 . . 4.570 2.153 2.066 2.250 . 0 0 "[ . 1 . 2]" 2
389 1 12 CYS H 1 30 VAL MG2 . . 4.750 3.929 3.811 4.104 . 0 0 "[ . 1 . 2]" 2
390 1 13 SER H 1 30 VAL MG2 . . 4.280 3.487 3.413 3.633 . 0 0 "[ . 1 . 2]" 2
391 1 21 LEU MD2 1 31 TYR HA . . 4.390 2.606 2.578 2.667 . 0 0 "[ . 1 . 2]" 2
392 1 30 VAL MG2 1 31 TYR HA . . 4.970 3.780 3.596 3.977 . 0 0 "[ . 1 . 2]" 2
393 1 12 CYS HB2 1 31 TYR HA . . 4.850 4.671 4.632 4.751 . 0 0 "[ . 1 . 2]" 2
394 1 31 TYR HA 1 31 TYR QD . . 4.040 2.832 2.725 2.915 . 0 0 "[ . 1 . 2]" 2
395 1 31 TYR HB3 1 36 LEU MD1 . . 4.410 4.412 4.407 4.414 0.004 10 0 "[ . 1 . 2]" 2
396 1 22 LEU HB3 1 31 TYR HB3 . . 5.500 5.146 5.001 5.270 . 0 0 "[ . 1 . 2]" 2
397 1 31 TYR HB3 1 36 LEU HG . . 4.130 3.652 3.541 3.696 . 0 0 "[ . 1 . 2]" 2
398 1 31 TYR HB3 1 48 TRP HH2 . . 4.810 4.286 4.089 4.380 . 0 0 "[ . 1 . 2]" 2
399 1 31 TYR H 1 31 TYR HB3 . . 4.130 3.931 3.892 3.940 . 0 0 "[ . 1 . 2]" 2
400 1 31 TYR HB2 1 36 LEU MD2 . . 4.030 2.179 2.087 2.293 . 0 0 "[ . 1 . 2]" 2
401 1 31 TYR HB2 1 36 LEU MD1 . . 4.300 3.971 3.927 4.030 . 0 0 "[ . 1 . 2]" 2
402 1 22 LEU HB3 1 31 TYR HB2 . . 4.640 3.662 3.504 3.796 . 0 0 "[ . 1 . 2]" 2
403 1 31 TYR HB2 1 36 LEU HG . . 4.450 4.024 3.958 4.083 . 0 0 "[ . 1 . 2]" 2
404 1 31 TYR HB2 1 32 HIS H . . 4.510 4.048 4.032 4.067 . 0 0 "[ . 1 . 2]" 2
405 1 22 LEU H 1 31 TYR HB2 . . 5.200 4.849 4.707 5.010 . 0 0 "[ . 1 . 2]" 2
406 1 32 HIS HB2 1 34 ASP H . . 4.060 3.635 3.605 3.663 . 0 0 "[ . 1 . 2]" 2
407 1 32 HIS HB3 1 33 LEU H . . 4.210 2.073 2.061 2.094 . 0 0 "[ . 1 . 2]" 2
408 1 22 LEU MD2 1 33 LEU HA . . 4.730 3.865 3.623 3.988 . 0 0 "[ . 1 . 2]" 2
409 1 33 LEU HA 1 35 CYS H . . 4.800 4.298 4.277 4.388 . 0 0 "[ . 1 . 2]" 2
410 1 33 LEU HA 1 40 LEU H . . 5.120 4.295 4.260 4.391 . 0 0 "[ . 1 . 2]" 2
411 1 33 LEU HB2 1 35 CYS H . . 5.320 4.989 4.969 5.015 . 0 0 "[ . 1 . 2]" 2
412 1 33 LEU HB3 1 40 LEU H . . 4.780 4.775 4.717 4.783 0.003 3 0 "[ . 1 . 2]" 2
413 1 33 LEU HB3 1 34 ASP H . . 4.370 3.663 3.607 3.708 . 0 0 "[ . 1 . 2]" 2
414 1 33 LEU H 1 33 LEU HB3 . . 4.090 3.520 3.490 3.541 . 0 0 "[ . 1 . 2]" 2
415 1 22 LEU MD2 1 44 PRO HG3 . . 4.150 2.343 2.229 2.463 . 0 0 "[ . 1 . 2]" 2
416 1 44 PRO HG3 1 48 TRP HB2 . . 4.550 4.066 3.858 4.233 . 0 0 "[ . 1 . 2]" 2
417 1 33 LEU HG 1 34 ASP H . . 5.070 4.843 4.793 4.901 . 0 0 "[ . 1 . 2]" 2
418 1 40 LEU HA 1 40 LEU MD1 . . 4.430 3.790 3.787 3.797 . 0 0 "[ . 1 . 2]" 2
419 1 40 LEU MD1 1 48 TRP HZ2 . . 4.490 3.181 3.034 3.274 . 0 0 "[ . 1 . 2]" 2
420 1 40 LEU MD1 1 48 TRP HD1 . . 4.150 3.438 3.250 3.543 . 0 0 "[ . 1 . 2]" 2
421 1 40 LEU H 1 40 LEU MD1 . . 4.590 4.302 4.276 4.373 . 0 0 "[ . 1 . 2]" 2
422 1 33 LEU MD1 1 43 ILE H . . 4.610 4.312 4.184 4.423 . 0 0 "[ . 1 . 2]" 2
423 1 33 LEU MD2 1 42 THR HA . . 4.660 4.259 4.150 4.379 . 0 0 "[ . 1 . 2]" 2
424 1 33 LEU MD2 1 44 PRO HD2 . . 4.460 2.987 2.876 3.132 . 0 0 "[ . 1 . 2]" 2
425 1 33 LEU MD2 1 44 PRO HD3 . . 4.120 2.395 2.305 2.542 . 0 0 "[ . 1 . 2]" 2
426 1 33 LEU MD2 1 40 LEU H . . 4.830 4.705 4.594 4.774 . 0 0 "[ . 1 . 2]" 2
427 1 33 LEU MD2 1 43 ILE H . . 4.850 4.660 4.556 4.742 . 0 0 "[ . 1 . 2]" 2
428 1 33 LEU H 1 33 LEU MD2 . . 4.460 4.000 3.924 4.060 . 0 0 "[ . 1 . 2]" 2
429 1 14 VAL HB 1 35 CYS HA . . 4.970 4.673 4.614 4.750 . 0 0 "[ . 1 . 2]" 2
430 1 35 CYS HB2 1 36 LEU H . . 4.470 4.362 4.336 4.366 . 0 0 "[ . 1 . 2]" 2
431 1 33 LEU H 1 35 CYS HB2 . . 5.240 5.121 5.116 5.127 . 0 0 "[ . 1 . 2]" 2
432 1 32 HIS H 1 35 CYS HB3 . . 4.780 4.540 4.487 4.556 . 0 0 "[ . 1 . 2]" 2
433 1 31 TYR QD 1 36 LEU HA . . 4.880 4.787 4.706 4.876 . 0 0 "[ . 1 . 2]" 2
434 1 36 LEU HB3 1 37 ASP H . . 4.280 1.983 1.981 1.985 . 0 0 "[ . 1 . 2]" 2
435 1 36 LEU HB2 1 37 ASP H . . 4.280 3.430 3.427 3.431 . 0 0 "[ . 1 . 2]" 2
436 1 33 LEU HA 1 36 LEU HG . . 4.620 3.357 3.316 3.447 . 0 0 "[ . 1 . 2]" 2
437 1 36 LEU H 1 36 LEU HG . . 3.940 3.386 3.352 3.394 . 0 0 "[ . 1 . 2]" 2
438 1 36 LEU HG 1 48 TRP HZ2 . . 4.910 4.386 4.172 4.489 . 0 0 "[ . 1 . 2]" 2
439 1 36 LEU H 1 36 LEU MD1 . . 4.410 4.199 4.109 4.222 . 0 0 "[ . 1 . 2]" 2
440 1 36 LEU MD1 1 40 LEU H . . 4.220 3.236 3.217 3.276 . 0 0 "[ . 1 . 2]" 2
441 1 22 LEU MD2 1 36 LEU MD2 . . 4.790 3.408 3.222 3.565 . 0 0 "[ . 1 . 2]" 2
442 1 36 LEU MD2 1 37 ASP H . . 4.180 2.819 2.769 2.886 . 0 0 "[ . 1 . 2]" 2
443 1 36 LEU MD1 1 39 PRO HA . . 4.530 3.778 3.719 3.795 . 0 0 "[ . 1 . 2]" 2
444 1 36 LEU H 1 39 PRO HA . . 4.250 2.375 2.359 2.412 . 0 0 "[ . 1 . 2]" 2
445 1 34 ASP HA 1 39 PRO HB2 . . 4.160 3.528 3.430 3.545 . 0 0 "[ . 1 . 2]" 2
446 1 39 PRO HB2 1 40 LEU H . . 4.170 2.926 2.784 2.967 . 0 0 "[ . 1 . 2]" 2
447 1 34 ASP HA 1 39 PRO HB3 . . 4.160 4.047 3.920 4.074 . 0 0 "[ . 1 . 2]" 2
448 1 38 PRO HB3 1 39 PRO HD2 . . 3.980 2.719 2.716 2.720 . 0 0 "[ . 1 . 2]" 2
449 1 40 LEU HB3 1 42 THR H . . 4.430 4.344 4.295 4.392 . 0 0 "[ . 1 . 2]" 2
450 1 33 LEU HB3 1 40 LEU HB3 . . 3.640 3.417 3.347 3.529 . 0 0 "[ . 1 . 2]" 2
451 1 22 LEU MD2 1 40 LEU MD2 . . 4.770 4.739 4.695 4.774 0.004 13 0 "[ . 1 . 2]" 2
452 1 40 LEU MD2 1 44 PRO HD3 . . 4.350 3.547 3.346 3.663 . 0 0 "[ . 1 . 2]" 2
453 1 40 LEU H 1 40 LEU MD2 . . 4.330 4.254 4.243 4.266 . 0 0 "[ . 1 . 2]" 2
454 1 40 LEU MD2 1 48 TRP HE1 . . 4.260 3.918 3.809 3.995 . 0 0 "[ . 1 . 2]" 2
455 1 40 LEU MD2 1 41 LYS H . . 4.610 2.144 2.008 2.377 . 0 0 "[ . 1 . 2]" 2
456 1 33 LEU MD1 1 41 LYS HA . . 4.750 4.295 4.186 4.408 . 0 0 "[ . 1 . 2]" 2
457 1 41 LYS HB2 1 42 THR H . . 5.130 3.540 3.504 3.594 . 0 0 "[ . 1 . 2]" 2
458 1 41 LYS H 1 41 LYS HG2 . . 5.170 4.610 4.332 4.972 . 0 0 "[ . 1 . 2]" 2
459 1 41 LYS H 1 41 LYS HG3 . . 5.170 4.627 4.400 4.951 . 0 0 "[ . 1 . 2]" 2
460 1 33 LEU MD1 1 42 THR HA . . 4.020 3.340 3.249 3.409 . 0 0 "[ . 1 . 2]" 2
461 1 41 LYS HB3 1 42 THR HA . . 4.590 4.485 4.400 4.590 . 0 0 "[ . 1 . 2]" 2
462 1 41 LYS HB3 1 42 THR HB . . 5.500 5.342 5.254 5.458 . 0 0 "[ . 1 . 2]" 2
463 1 42 THR HB 1 43 ILE HB . . 5.500 4.131 4.112 4.157 . 0 0 "[ . 1 . 2]" 2
464 1 42 THR H 1 42 THR MG . . 4.230 2.339 2.236 2.470 . 0 0 "[ . 1 . 2]" 2
465 1 41 LYS HB3 1 42 THR MG . . 4.190 2.893 2.724 3.046 . 0 0 "[ . 1 . 2]" 2
466 1 41 LYS HB2 1 42 THR MG . . 4.250 4.197 4.127 4.250 . 0 0 "[ . 1 . 2]" 2
467 1 43 ILE HB 1 44 PRO HD2 . . 4.520 4.420 4.417 4.427 . 0 0 "[ . 1 . 2]" 2
468 1 43 ILE HB 1 44 PRO HD3 . . 5.170 5.082 5.080 5.086 . 0 0 "[ . 1 . 2]" 2
469 1 42 THR HA 1 43 ILE HB . . 5.500 5.191 5.176 5.196 . 0 0 "[ . 1 . 2]" 2
470 1 43 ILE HB 1 44 PRO HA . . 5.500 5.305 5.301 5.318 . 0 0 "[ . 1 . 2]" 2
471 1 22 LEU MD2 1 43 ILE HA . . 4.690 4.677 4.644 4.691 0.001 11 0 "[ . 1 . 2]" 2
472 1 43 ILE HA 1 43 ILE HG12 . . 4.010 2.957 2.526 3.487 . 0 0 "[ . 1 . 2]" 2
473 1 42 THR HA 1 43 ILE HA . . 5.100 4.326 4.325 4.327 . 0 0 "[ . 1 . 2]" 2
474 1 22 LEU MD2 1 43 ILE MG . . 4.870 4.699 4.621 4.765 . 0 0 "[ . 1 . 2]" 2
475 1 43 ILE MG 1 44 PRO HA . . 4.250 4.250 4.246 4.252 0.002 15 0 "[ . 1 . 2]" 2
476 1 43 ILE H 1 43 ILE MG . . 3.960 3.769 3.767 3.770 . 0 0 "[ . 1 . 2]" 2
477 1 43 ILE HA 1 43 ILE MD . . 4.160 3.235 2.038 3.880 . 0 0 "[ . 1 . 2]" 2
478 1 43 ILE H 1 43 ILE MD . . 4.550 3.059 1.917 3.635 . 0 0 "[ . 1 . 2]" 2
479 1 43 ILE MG 1 44 PRO HB3 . . 5.100 5.037 5.035 5.040 . 0 0 "[ . 1 . 2]" 2
480 1 22 LEU MD1 1 44 PRO HB3 . . 5.460 5.395 5.290 5.458 . 0 0 "[ . 1 . 2]" 2
481 1 22 LEU MD2 1 44 PRO HB3 . . 4.920 4.274 4.161 4.389 . 0 0 "[ . 1 . 2]" 2
482 1 44 PRO HB3 1 48 TRP HB2 . . 4.400 4.344 4.285 4.400 0.000 10 0 "[ . 1 . 2]" 2
483 1 44 PRO HB3 1 48 TRP HD1 . . 4.490 3.157 3.056 3.288 . 0 0 "[ . 1 . 2]" 2
484 1 44 PRO HB2 1 48 TRP HD1 . . 4.380 2.345 2.242 2.480 . 0 0 "[ . 1 . 2]" 2
485 1 44 PRO HB2 1 48 TRP HB2 . . 4.580 2.703 2.619 2.826 . 0 0 "[ . 1 . 2]" 2
486 1 40 LEU MD1 1 44 PRO HB2 . . 4.900 3.244 3.206 3.273 . 0 0 "[ . 1 . 2]" 2
487 1 40 LEU MD1 1 44 PRO HD2 . . 4.070 3.776 3.737 3.866 . 0 0 "[ . 1 . 2]" 2
488 1 45 LYS H 1 45 LYS HG3 . . 5.100 3.363 2.776 3.971 . 0 0 "[ . 1 . 2]" 2
489 1 47 MET HB2 1 48 TRP H . . 4.700 4.446 4.399 4.507 . 0 0 "[ . 1 . 2]" 2
490 1 47 MET HB3 1 48 TRP H . . 4.700 4.432 4.366 4.482 . 0 0 "[ . 1 . 2]" 2
491 1 47 MET H 1 47 MET HB3 . . 4.200 2.547 2.443 2.687 . 0 0 "[ . 1 . 2]" 2
492 1 47 MET HG2 1 49 ILE MD . . 4.750 3.032 2.788 3.515 . 0 0 "[ . 1 . 2]" 2
493 1 47 MET HG3 1 49 ILE MD . . 4.750 4.140 3.697 4.614 . 0 0 "[ . 1 . 2]" 2
494 1 47 MET HG2 1 48 TRP H . . 5.030 3.954 3.385 4.462 . 0 0 "[ . 1 . 2]" 2
495 1 47 MET HG3 1 48 TRP H . . 5.030 3.608 3.258 4.219 . 0 0 "[ . 1 . 2]" 2
496 1 22 LEU MD1 1 48 TRP HB2 . . 5.500 5.239 5.084 5.303 . 0 0 "[ . 1 . 2]" 2
497 1 44 PRO HG2 1 48 TRP HB2 . . 4.550 3.094 2.833 3.308 . 0 0 "[ . 1 . 2]" 2
498 1 48 TRP HB2 1 49 ILE H . . 4.510 4.040 4.008 4.072 . 0 0 "[ . 1 . 2]" 2
499 1 22 LEU MD1 1 48 TRP HB3 . . 4.730 4.694 4.601 4.729 . 0 0 "[ . 1 . 2]" 2
500 1 48 TRP HB3 1 49 ILE H . . 5.210 3.894 3.858 3.930 . 0 0 "[ . 1 . 2]" 2
501 1 25 ASP H 1 49 ILE HA . . 4.790 3.137 3.038 3.203 . 0 0 "[ . 1 . 2]" 2
502 1 49 ILE HB 1 53 CYS HB2 . . 4.700 4.398 4.305 4.549 . 0 0 "[ . 1 . 2]" 2
503 1 49 ILE HB 1 54 GLN HE21 . . 4.580 3.640 2.751 4.218 . 0 0 "[ . 1 . 2]" 2
504 1 25 ASP HB2 1 49 ILE HG12 . . 5.500 4.196 4.033 4.348 . 0 0 "[ . 1 . 2]" 2
505 1 49 ILE H 1 49 ILE HG12 . . 4.140 4.029 3.932 4.115 . 0 0 "[ . 1 . 2]" 2
506 1 25 ASP HB2 1 49 ILE HG13 . . 5.500 5.030 4.793 5.220 . 0 0 "[ . 1 . 2]" 2
507 1 49 ILE MG 1 54 GLN HB2 . . 4.700 4.457 4.186 4.658 . 0 0 "[ . 1 . 2]" 2
508 1 49 ILE MG 1 54 GLN HA . . 4.190 4.073 3.880 4.133 . 0 0 "[ . 1 . 2]" 2
509 1 49 ILE H 1 49 ILE MG . . 4.430 3.934 3.910 3.954 . 0 0 "[ . 1 . 2]" 2
510 1 49 ILE MG 1 54 GLN HE21 . . 4.840 4.469 3.918 4.836 . 0 0 "[ . 1 . 2]" 2
511 1 49 ILE MG 1 53 CYS H . . 4.630 3.537 3.419 3.660 . 0 0 "[ . 1 . 2]" 2
512 1 49 ILE H 1 49 ILE MD . . 4.590 4.211 4.164 4.295 . 0 0 "[ . 1 . 2]" 2
513 1 49 ILE MD 1 50 CYS H . . 5.380 5.119 5.039 5.157 . 0 0 "[ . 1 . 2]" 2
514 1 25 ASP H 1 49 ILE MD . . 5.280 5.005 4.742 5.148 . 0 0 "[ . 1 . 2]" 2
515 1 49 ILE MD 1 54 GLN HA . . 4.800 4.800 4.792 4.805 0.005 11 0 "[ . 1 . 2]" 2
516 1 36 LEU MD2 1 50 CYS HB2 . . 4.900 4.095 3.980 4.225 . 0 0 "[ . 1 . 2]" 2
517 1 48 TRP HZ3 1 50 CYS HB2 . . 4.550 4.310 4.252 4.379 . 0 0 "[ . 1 . 2]" 2
518 1 50 CYS HB2 1 52 ARG H . . 4.930 2.771 2.765 2.787 . 0 0 "[ . 1 . 2]" 2
519 1 31 TYR QD 1 50 CYS HB2 . . 4.520 3.158 2.828 3.343 . 0 0 "[ . 1 . 2]" 2
520 1 24 CYS HB3 1 50 CYS HB3 . . 4.210 4.164 4.136 4.189 . 0 0 "[ . 1 . 2]" 2
521 1 48 TRP HH2 1 50 CYS HB3 . . 4.260 3.138 3.027 3.282 . 0 0 "[ . 1 . 2]" 2
522 1 48 TRP HZ3 1 50 CYS HB3 . . 4.110 2.975 2.909 3.061 . 0 0 "[ . 1 . 2]" 2
523 1 50 CYS HA 1 51 PRO HG2 . . 5.090 4.512 4.511 4.513 . 0 0 "[ . 1 . 2]" 2
524 1 50 CYS HA 1 51 PRO HG3 . . 5.450 4.471 4.470 4.471 . 0 0 "[ . 1 . 2]" 2
525 1 48 TRP HZ3 1 50 CYS HA . . 4.850 3.612 3.521 3.703 . 0 0 "[ . 1 . 2]" 2
526 1 37 ASP H 1 51 PRO HG3 . . 4.430 2.465 2.356 2.638 . 0 0 "[ . 1 . 2]" 2
527 1 48 TRP HH2 1 51 PRO HD2 . . 4.390 3.477 3.443 3.523 . 0 0 "[ . 1 . 2]" 2
528 1 31 TYR QE 1 51 PRO HD2 . . 4.390 4.216 3.979 4.388 . 0 0 "[ . 1 . 2]" 2
529 1 31 TYR QD 1 51 PRO HD2 . . 4.540 4.075 3.795 4.277 . 0 0 "[ . 1 . 2]" 2
530 1 51 PRO HD2 1 52 ARG H . . 4.360 2.782 2.770 2.804 . 0 0 "[ . 1 . 2]" 2
531 1 48 TRP HH2 1 51 PRO HD3 . . 4.210 3.538 3.436 3.612 . 0 0 "[ . 1 . 2]" 2
532 1 37 ASP H 1 51 PRO HD3 . . 4.930 3.752 3.636 3.889 . 0 0 "[ . 1 . 2]" 2
533 1 51 PRO HD3 1 52 ARG H . . 5.310 3.915 3.908 3.926 . 0 0 "[ . 1 . 2]" 2
534 1 49 ILE MG 1 53 CYS HA . . 4.540 4.405 4.364 4.445 . 0 0 "[ . 1 . 2]" 2
535 1 50 CYS H 1 53 CYS HB2 . . 4.570 3.945 3.920 3.956 . 0 0 "[ . 1 . 2]" 2
536 1 26 THR HB 1 53 CYS HB3 . . 4.910 4.059 3.944 4.166 . 0 0 "[ . 1 . 2]" 2
537 1 49 ILE HB 1 53 CYS HB3 . . 5.230 5.053 4.955 5.194 . 0 0 "[ . 1 . 2]" 2
538 1 54 GLN HB3 1 55 ASP H . . 4.580 3.799 3.739 3.925 . 0 0 "[ . 1 . 2]" 2
539 1 55 ASP H 1 55 ASP HB3 . . 4.200 3.343 2.325 3.992 . 0 0 "[ . 1 . 2]" 2
540 1 56 GLN H 1 56 GLN HG2 . . 5.240 3.963 2.138 5.049 . 0 0 "[ . 1 . 2]" 2
541 1 56 GLN H 1 56 GLN HG3 . . 5.240 3.874 2.144 5.039 . 0 0 "[ . 1 . 2]" 2
542 1 37 ASP HA 1 38 PRO HA . . 3.550 1.881 1.881 1.882 . 0 0 "[ . 1 . 2]" 2
543 1 30 VAL MG1 1 31 TYR QD . . 5.500 5.151 5.049 5.274 . 0 0 "[ . 1 . 2]" 2
544 1 31 TYR QD 1 36 LEU MD1 . . 5.500 5.100 5.054 5.164 . 0 0 "[ . 1 . 2]" 2
545 1 30 VAL HB 1 31 TYR QD . . 5.500 5.265 5.147 5.380 . 0 0 "[ . 1 . 2]" 2
546 1 31 TYR QD 1 36 LEU HG . . 5.500 5.381 5.293 5.426 . 0 0 "[ . 1 . 2]" 2
547 1 31 TYR QE 1 36 LEU MD2 . . 4.700 4.667 4.645 4.701 0.001 15 0 "[ . 1 . 2]" 2
548 1 31 TYR QE 1 50 CYS HA . . 4.950 4.760 4.525 4.884 . 0 0 "[ . 1 . 2]" 2
549 1 13 SER HB2 1 31 TYR QE . . 4.330 2.826 2.338 3.066 . 0 0 "[ . 1 . 2]" 2
550 1 31 TYR QE 1 48 TRP HH2 . . 4.630 4.632 4.630 4.635 0.005 1 0 "[ . 1 . 2]" 2
551 1 40 LEU MD2 1 48 TRP HD1 . . 4.860 4.405 4.307 4.496 . 0 0 "[ . 1 . 2]" 2
552 1 48 TRP HD1 1 49 ILE H . . 4.390 3.711 3.615 3.789 . 0 0 "[ . 1 . 2]" 2
553 1 48 TRP HZ2 1 51 PRO HG3 . . 4.780 4.768 4.731 4.782 0.002 6 0 "[ . 1 . 2]" 2
554 1 48 TRP HZ2 1 51 PRO HD2 . . 4.400 4.099 3.999 4.187 . 0 0 "[ . 1 . 2]" 2
555 1 22 LEU MD2 1 48 TRP HH2 . . 5.000 3.323 3.186 3.437 . 0 0 "[ . 1 . 2]" 2
556 1 36 LEU MD1 1 48 TRP HH2 . . 4.140 3.280 3.200 3.357 . 0 0 "[ . 1 . 2]" 2
557 1 31 TYR HB2 1 48 TRP HH2 . . 4.330 2.903 2.713 2.995 . 0 0 "[ . 1 . 2]" 2
558 1 22 LEU MD2 1 48 TRP HZ3 . . 4.840 3.242 3.197 3.278 . 0 0 "[ . 1 . 2]" 2
559 1 22 LEU HG 1 48 TRP HZ3 . . 4.320 3.755 3.666 3.871 . 0 0 "[ . 1 . 2]" 2
560 1 24 CYS HA 1 48 TRP HZ3 . . 4.500 2.908 2.793 3.053 . 0 0 "[ . 1 . 2]" 2
561 1 22 LEU MD2 1 48 TRP HE3 . . 4.670 3.007 2.867 3.225 . 0 0 "[ . 1 . 2]" 2
562 1 22 LEU MD1 1 48 TRP HE3 . . 4.680 4.671 4.643 4.683 0.003 7 0 "[ . 1 . 2]" 2
563 1 22 LEU HG 1 48 TRP HE3 . . 4.140 3.627 3.547 3.673 . 0 0 "[ . 1 . 2]" 2
564 1 48 TRP HB2 1 48 TRP HE3 . . 4.160 4.081 4.068 4.092 . 0 0 "[ . 1 . 2]" 2
565 1 25 ASP HB2 1 48 TRP HE3 . . 5.500 4.901 4.754 5.049 . 0 0 "[ . 1 . 2]" 2
566 1 25 ASP H 1 48 TRP HE3 . . 4.540 3.941 3.870 4.050 . 0 0 "[ . 1 . 2]" 2
567 1 9 GLU HB3 1 11 PHE QD . . 4.940 3.403 3.225 3.528 . 0 0 "[ . 1 . 2]" 2
568 1 11 PHE QD 1 17 LYS HA . . 4.740 4.632 4.501 4.737 . 0 0 "[ . 1 . 2]" 2
569 1 11 PHE QD 1 12 CYS H . . 5.140 4.238 4.179 4.328 . 0 0 "[ . 1 . 2]" 2
570 1 11 PHE QD 1 17 LYS H . . 5.500 4.371 4.226 4.549 . 0 0 "[ . 1 . 2]" 2
571 1 10 ASP H 1 11 PHE QD . . 4.930 2.718 2.406 2.897 . 0 0 "[ . 1 . 2]" 2
572 1 11 PHE QD 1 18 SER H . . 5.300 4.933 3.817 5.191 . 0 0 "[ . 1 . 2]" 2
573 1 32 HIS HA 1 32 HIS HD2 . . 4.310 2.136 2.121 2.170 . 0 0 "[ . 1 . 2]" 2
574 1 32 HIS HD2 1 33 LEU H . . 5.100 3.709 3.515 3.821 . 0 0 "[ . 1 . 2]" 2
575 1 21 LEU MD2 1 32 HIS HE1 . . 4.510 4.509 4.499 4.511 0.001 3 0 "[ . 1 . 2]" 2
576 1 17 LYS HG2 1 32 HIS HE1 . . 5.180 4.688 3.591 5.057 . 0 0 "[ . 1 . 2]" 2
577 1 43 ILE HG13 1 43 ILE MG . . 3.720 2.817 2.307 3.187 . 0 0 "[ . 1 . 2]" 2
578 1 9 GLU HB2 1 30 VAL MG1 . . 4.820 2.857 2.546 3.069 . 0 0 "[ . 1 . 2]" 2
579 1 9 GLU HB2 1 11 PHE H . . 4.880 3.104 2.847 3.356 . 0 0 "[ . 1 . 2]" 2
580 1 9 GLU HB3 1 11 PHE H . . 5.080 2.857 2.741 2.959 . 0 0 "[ . 1 . 2]" 2
581 1 9 GLU HB3 1 11 PHE QE . . 5.030 4.983 4.832 5.031 0.001 17 0 "[ . 1 . 2]" 2
582 1 9 GLU HB3 1 10 ASP H . . 3.880 2.085 1.971 2.404 . 0 0 "[ . 1 . 2]" 2
583 1 11 PHE HB2 1 12 CYS H . . 4.170 3.884 3.854 3.909 . 0 0 "[ . 1 . 2]" 2
584 1 11 PHE HA 1 12 CYS HB3 . . 4.890 4.815 4.770 4.837 . 0 0 "[ . 1 . 2]" 2
585 1 11 PHE HA 1 12 CYS HB2 . . 4.930 4.509 4.485 4.533 . 0 0 "[ . 1 . 2]" 2
586 1 12 CYS HB2 1 16 ARG HA . . 4.850 4.174 4.130 4.204 . 0 0 "[ . 1 . 2]" 2
587 1 51 PRO HA 1 54 GLN HG2 . . 4.610 4.523 4.216 4.608 . 0 0 "[ . 1 . 2]" 2
588 1 51 PRO HA 1 54 GLN HG3 . . 4.610 3.459 2.971 3.728 . 0 0 "[ . 1 . 2]" 2
589 1 13 SER HB3 1 14 VAL MG2 . . 4.840 3.281 3.104 3.676 . 0 0 "[ . 1 . 2]" 2
590 1 14 VAL MG1 1 15 CYS HA . . 5.000 3.754 3.640 3.868 . 0 0 "[ . 1 . 2]" 2
591 1 17 LYS H 1 17 LYS HD2 . . 5.500 5.270 4.671 5.499 . 0 0 "[ . 1 . 2]" 2
592 1 17 LYS H 1 17 LYS HD3 . . 5.500 5.177 4.520 5.500 0.000 6 0 "[ . 1 . 2]" 2
593 1 21 LEU HB3 1 30 VAL MG2 . . 4.060 3.302 3.140 3.646 . 0 0 "[ . 1 . 2]" 2
594 1 21 LEU H 1 21 LEU MD2 . . 4.890 4.561 4.521 4.601 . 0 0 "[ . 1 . 2]" 2
595 1 21 LEU MD2 1 30 VAL H . . 5.310 4.622 4.526 4.779 . 0 0 "[ . 1 . 2]" 2
596 1 22 LEU HA 1 23 MET HG2 . . 4.640 4.368 3.808 4.634 . 0 0 "[ . 1 . 2]" 2
597 1 22 LEU HA 1 23 MET HG3 . . 4.640 3.788 3.372 4.307 . 0 0 "[ . 1 . 2]" 2
598 1 23 MET ME 1 30 VAL MG1 . . 3.680 2.812 1.956 3.598 . 0 0 "[ . 1 . 2]" 2
599 1 27 CYS HB3 1 28 SER H . . 3.950 3.528 3.515 3.544 . 0 0 "[ . 1 . 2]" 2
600 1 22 LEU H 1 30 VAL HA . . 4.830 4.795 4.682 4.831 0.001 20 0 "[ . 1 . 2]" 2
601 1 21 LEU MD2 1 30 VAL MG1 . . 4.760 3.702 3.572 3.775 . 0 0 "[ . 1 . 2]" 2
602 1 21 LEU HB2 1 30 VAL MG1 . . 4.410 3.828 3.595 4.013 . 0 0 "[ . 1 . 2]" 2
603 1 12 CYS HA 1 30 VAL MG1 . . 5.390 5.382 5.283 5.396 0.006 19 0 "[ . 1 . 2]" 2
604 1 13 SER HB2 1 31 TYR QD . . 5.110 3.097 2.519 3.366 . 0 0 "[ . 1 . 2]" 2
605 1 31 TYR QD 1 50 CYS HA . . 5.140 4.271 3.981 4.423 . 0 0 "[ . 1 . 2]" 2
606 1 31 TYR QD 1 50 CYS HB3 . . 4.460 2.929 2.658 3.013 . 0 0 "[ . 1 . 2]" 2
607 1 31 TYR QE 1 50 CYS HB2 . . 3.620 2.708 2.396 2.881 . 0 0 "[ . 1 . 2]" 2
608 1 29 ARG HD2 1 31 TYR QE . . 5.500 4.367 3.719 5.105 . 0 0 "[ . 1 . 2]" 2
609 1 29 ARG HD3 1 31 TYR QE . . 5.500 4.165 3.042 5.312 . 0 0 "[ . 1 . 2]" 2
610 1 30 VAL H 1 31 TYR QE . . 5.500 4.528 4.391 4.650 . 0 0 "[ . 1 . 2]" 2
611 1 31 TYR QE 1 52 ARG H . . 5.500 4.552 4.205 4.750 . 0 0 "[ . 1 . 2]" 2
612 1 31 TYR QE 1 50 CYS H . . 5.240 4.969 4.755 5.085 . 0 0 "[ . 1 . 2]" 2
613 1 31 TYR H 1 31 TYR QE . . 5.110 5.040 4.925 5.111 0.001 10 0 "[ . 1 . 2]" 2
614 1 17 LYS HG3 1 32 HIS HE1 . . 5.180 4.130 3.341 4.561 . 0 0 "[ . 1 . 2]" 2
615 1 17 LYS H 1 32 HIS HE1 . . 3.910 3.444 3.246 3.552 . 0 0 "[ . 1 . 2]" 2
616 1 33 LEU HA 1 40 LEU HB2 . . 4.060 3.031 3.007 3.065 . 0 0 "[ . 1 . 2]" 2
617 1 33 LEU HA 1 40 LEU HB3 . . 4.640 3.544 3.480 3.686 . 0 0 "[ . 1 . 2]" 2
618 1 22 LEU HB2 1 33 LEU MD2 . . 3.510 3.137 2.979 3.319 . 0 0 "[ . 1 . 2]" 2
619 1 22 LEU HB3 1 33 LEU MD2 . . 4.510 4.319 4.173 4.455 . 0 0 "[ . 1 . 2]" 2
620 1 14 VAL MG1 1 35 CYS HB2 . . 4.200 3.968 3.888 4.064 . 0 0 "[ . 1 . 2]" 2
621 1 35 CYS HB3 1 36 LEU H . . 4.980 4.418 4.414 4.445 . 0 0 "[ . 1 . 2]" 2
622 1 35 CYS H 1 36 LEU HG . . 5.440 3.803 3.784 3.881 . 0 0 "[ . 1 . 2]" 2
623 1 36 LEU HG 1 40 LEU H . . 5.500 4.021 3.957 4.269 . 0 0 "[ . 1 . 2]" 2
624 1 36 LEU MD1 1 51 PRO HG3 . . 5.140 4.999 4.863 5.140 . 0 0 "[ . 1 . 2]" 2
625 1 36 LEU HA 1 36 LEU MD1 . . 4.160 3.825 3.820 3.844 . 0 0 "[ . 1 . 2]" 2
626 1 36 LEU MD2 1 50 CYS HB3 . . 4.790 4.622 4.499 4.743 . 0 0 "[ . 1 . 2]" 2
627 1 36 LEU MD2 1 48 TRP HE1 . . 5.120 4.551 4.274 4.662 . 0 0 "[ . 1 . 2]" 2
628 1 36 LEU MD1 1 40 LEU MD1 . . 2.930 1.908 1.876 1.940 . 0 0 "[ . 1 . 2]" 2
629 1 33 LEU HB2 1 33 LEU MD1 . . 3.380 2.277 2.191 2.381 . 0 0 "[ . 1 . 2]" 2
630 1 40 LEU MD2 1 44 PRO HB3 . . 4.570 2.502 2.390 2.623 . 0 0 "[ . 1 . 2]" 2
631 1 40 LEU MD2 1 48 TRP HZ2 . . 5.500 5.503 5.501 5.505 0.005 12 0 "[ . 1 . 2]" 2
632 1 40 LEU MD2 1 42 THR H . . 4.820 3.611 3.501 3.829 . 0 0 "[ . 1 . 2]" 2
633 1 41 LYS HA 1 41 LYS HD2 . . 5.050 3.808 2.111 4.489 . 0 0 "[ . 1 . 2]" 2
634 1 41 LYS HA 1 41 LYS HD3 . . 5.050 4.034 2.158 4.949 . 0 0 "[ . 1 . 2]" 2
635 1 17 LYS HA 1 17 LYS HD2 . . 5.500 3.928 2.412 4.765 . 0 0 "[ . 1 . 2]" 2
636 1 17 LYS HA 1 17 LYS HD3 . . 5.500 3.569 2.171 4.443 . 0 0 "[ . 1 . 2]" 2
637 1 47 MET ME 1 49 ILE MD . . 3.790 2.197 1.910 2.546 . 0 0 "[ . 1 . 2]" 2
638 1 26 THR MG 1 47 MET ME . . 4.000 3.477 3.227 3.781 . 0 0 "[ . 1 . 2]" 2
639 1 25 ASP HB3 1 47 MET ME . . 4.010 2.827 2.063 3.540 . 0 0 "[ . 1 . 2]" 2
640 1 22 LEU HB3 1 48 TRP HE3 . . 5.130 4.995 4.769 5.120 . 0 0 "[ . 1 . 2]" 2
641 1 48 TRP HE3 1 50 CYS HB3 . . 5.200 4.846 4.784 4.925 . 0 0 "[ . 1 . 2]" 2
642 1 24 CYS H 1 48 TRP HZ3 . . 5.110 4.189 4.045 4.334 . 0 0 "[ . 1 . 2]" 2
643 1 47 MET ME 1 49 ILE MG . . 4.380 4.139 3.896 4.370 . 0 0 "[ . 1 . 2]" 2
644 1 52 ARG H 1 52 ARG HB3 . . 3.730 3.296 3.093 3.411 . 0 0 "[ . 1 . 2]" 2
645 1 52 ARG HB3 1 53 CYS H . . 4.390 3.395 3.194 3.535 . 0 0 "[ . 1 . 2]" 2
646 1 52 ARG HA 1 52 ARG HG3 . . 4.180 3.245 2.315 3.585 . 0 0 "[ . 1 . 2]" 2
647 1 52 ARG H 1 52 ARG HG3 . . 4.320 4.110 3.772 4.276 . 0 0 "[ . 1 . 2]" 2
648 1 53 CYS HB3 1 54 GLN H . . 4.160 3.094 3.042 3.128 . 0 0 "[ . 1 . 2]" 2
649 1 54 GLN HB2 1 55 ASP H . . 4.510 2.878 2.820 2.901 . 0 0 "[ . 1 . 2]" 2
650 1 51 PRO HA 1 54 GLN HB3 . . 4.670 4.598 4.541 4.645 . 0 0 "[ . 1 . 2]" 2
651 1 54 GLN H 1 54 GLN HG3 . . 4.120 3.058 2.433 3.281 . 0 0 "[ . 1 . 2]" 2
652 1 8 HIS QB 1 9 GLU H . . 4.080 2.570 1.970 3.862 . 0 0 "[ . 1 . 2]" 2
653 1 8 HIS QB 1 30 VAL MG1 . . 3.370 2.865 2.564 3.152 . 0 0 "[ . 1 . 2]" 2
654 1 9 GLU H 1 9 GLU QG . . 4.070 2.147 1.925 2.706 . 0 0 "[ . 1 . 2]" 2
655 1 9 GLU HA 1 9 GLU QG . . 3.310 2.686 2.474 3.131 . 0 0 "[ . 1 . 2]" 2
656 1 9 GLU QG 1 28 SER QB . . 4.030 4.019 3.907 4.033 0.003 4 0 "[ . 1 . 2]" 2
657 1 9 GLU QG 1 30 VAL MG2 . . 4.520 3.474 3.193 4.020 . 0 0 "[ . 1 . 2]" 2
658 1 10 ASP H 1 10 ASP QB . . 3.520 2.788 2.633 2.954 . 0 0 "[ . 1 . 2]" 2
659 1 10 ASP QB 1 11 PHE QD . . 4.510 3.630 3.470 3.813 . 0 0 "[ . 1 . 2]" 2
660 1 10 ASP QB 1 21 LEU MD1 . . 4.440 4.168 4.049 4.439 . 0 0 "[ . 1 . 2]" 2
661 1 10 ASP QB 1 30 VAL MG2 . . 5.340 4.546 4.479 4.635 . 0 0 "[ . 1 . 2]" 2
662 1 11 PHE HB3 1 16 ARG QB . . 4.830 3.803 3.514 4.216 . 0 0 "[ . 1 . 2]" 2
663 1 11 PHE QD 1 18 SER QB . . 4.260 4.204 3.814 4.260 . 0 0 "[ . 1 . 2]" 2
664 1 11 PHE QE 1 18 SER QB . . 4.190 4.130 3.460 4.192 0.002 3 0 "[ . 1 . 2]" 2
665 1 15 CYS HB2 1 17 LYS QG . . 4.730 3.679 2.796 4.019 . 0 0 "[ . 1 . 2]" 2
666 1 16 ARG HA 1 16 ARG QG . . 3.710 2.422 2.175 2.644 . 0 0 "[ . 1 . 2]" 2
667 1 16 ARG HA 1 16 ARG QD . . 4.700 3.654 2.465 4.301 . 0 0 "[ . 1 . 2]" 2
668 1 16 ARG QB 1 16 ARG QD . . 3.270 2.137 1.944 2.372 . 0 0 "[ . 1 . 2]" 2
669 1 17 LYS H 1 17 LYS QB . . 3.350 2.617 2.588 2.800 . 0 0 "[ . 1 . 2]" 2
670 1 17 LYS H 1 17 LYS QG . . 3.920 3.690 2.932 3.917 . 0 0 "[ . 1 . 2]" 2
671 1 17 LYS HA 1 17 LYS QG . . 3.720 2.328 2.152 2.925 . 0 0 "[ . 1 . 2]" 2
672 1 17 LYS QB 1 18 SER H . . 3.380 2.426 2.043 3.313 . 0 0 "[ . 1 . 2]" 2
673 1 17 LYS QB 1 32 HIS HE1 . . 3.100 2.001 1.953 2.166 . 0 0 "[ . 1 . 2]" 2
674 1 17 LYS QG 1 32 HIS HE1 . . 4.550 3.868 3.074 4.243 . 0 0 "[ . 1 . 2]" 2
675 1 18 SER H 1 18 SER QB . . 3.490 2.447 2.077 2.688 . 0 0 "[ . 1 . 2]" 2
676 1 18 SER QB 1 19 GLY H . . 3.620 2.713 2.240 3.399 . 0 0 "[ . 1 . 2]" 2
677 1 22 LEU HA 1 23 MET QG . . 4.050 3.522 3.276 3.778 . 0 0 "[ . 1 . 2]" 2
678 1 22 LEU HB3 1 23 MET QG . . 5.320 5.122 5.036 5.230 . 0 0 "[ . 1 . 2]" 2
679 1 22 LEU MD1 1 44 PRO QG . . 3.670 2.964 2.851 3.069 . 0 0 "[ . 1 . 2]" 2
680 1 23 MET H 1 23 MET QB . . 3.410 2.602 2.520 2.697 . 0 0 "[ . 1 . 2]" 2
681 1 23 MET H 1 23 MET QG . . 3.840 2.807 2.559 3.045 . 0 0 "[ . 1 . 2]" 2
682 1 23 MET QG 1 24 CYS H . . 5.280 4.173 4.073 4.349 . 0 0 "[ . 1 . 2]" 2
683 1 23 MET QG 1 30 VAL MG1 . . 3.490 2.501 2.306 2.770 . 0 0 "[ . 1 . 2]" 2
684 1 25 ASP HB2 1 47 MET QG . . 4.420 3.457 3.276 3.647 . 0 0 "[ . 1 . 2]" 2
685 1 25 ASP HB2 1 49 ILE QG . . 4.790 3.997 3.846 4.138 . 0 0 "[ . 1 . 2]" 2
686 1 25 ASP HB3 1 47 MET QG . . 4.600 3.035 2.844 3.229 . 0 0 "[ . 1 . 2]" 2
687 1 25 ASP HB3 1 49 ILE QG . . 4.550 3.345 3.074 3.464 . 0 0 "[ . 1 . 2]" 2
688 1 26 THR HB 1 27 CYS QB . . 5.340 3.364 3.330 3.384 . 0 0 "[ . 1 . 2]" 2
689 1 27 CYS QB 1 28 SER H . . 3.380 1.968 1.947 1.992 . 0 0 "[ . 1 . 2]" 2
690 1 28 SER H 1 29 ARG QG . . 4.970 3.012 2.730 4.037 . 0 0 "[ . 1 . 2]" 2
691 1 29 ARG H 1 29 ARG QG . . 3.850 2.991 2.824 3.686 . 0 0 "[ . 1 . 2]" 2
692 1 29 ARG HA 1 29 ARG QG . . 3.640 2.577 2.277 2.976 . 0 0 "[ . 1 . 2]" 2
693 1 29 ARG HA 1 29 ARG QD . . 4.840 3.403 2.020 4.258 . 0 0 "[ . 1 . 2]" 2
694 1 29 ARG HB3 1 29 ARG QD . . 3.590 2.328 2.014 3.164 . 0 0 "[ . 1 . 2]" 2
695 1 29 ARG QD 1 31 TYR QE . . 4.690 3.689 3.003 4.537 . 0 0 "[ . 1 . 2]" 2
696 1 34 ASP H 1 34 ASP QB . . 3.490 2.401 2.226 2.681 . 0 0 "[ . 1 . 2]" 2
697 1 34 ASP HA 1 39 PRO QB . . 3.600 3.320 3.225 3.338 . 0 0 "[ . 1 . 2]" 2
698 1 34 ASP QB 1 39 PRO QB . . 4.500 4.268 4.111 4.504 0.004 20 0 "[ . 1 . 2]" 2
699 1 36 LEU H 1 36 LEU QB . . 3.120 2.434 2.413 2.438 . 0 0 "[ . 1 . 2]" 2
700 1 36 LEU QB 1 36 LEU MD1 . . 2.710 2.058 2.056 2.064 . 0 0 "[ . 1 . 2]" 2
701 1 36 LEU QB 1 36 LEU MD2 . . 3.200 2.254 2.192 2.294 . 0 0 "[ . 1 . 2]" 2
702 1 36 LEU QB 1 37 ASP H . . 3.550 1.971 1.969 1.973 . 0 0 "[ . 1 . 2]" 2
703 1 36 LEU QB 1 39 PRO HA . . 3.160 1.962 1.961 1.963 . 0 0 "[ . 1 . 2]" 2
704 1 36 LEU QB 1 40 LEU H . . 3.660 2.551 2.506 2.713 . 0 0 "[ . 1 . 2]" 2
705 1 36 LEU QB 1 48 TRP HZ2 . . 5.340 3.672 3.510 3.749 . 0 0 "[ . 1 . 2]" 2
706 1 37 ASP H 1 37 ASP QB . . 3.320 2.727 2.683 2.762 . 0 0 "[ . 1 . 2]" 2
707 1 37 ASP H 1 51 PRO QB . . 4.570 3.781 3.605 3.946 . 0 0 "[ . 1 . 2]" 2
708 1 37 ASP QB 1 38 PRO HA . . 4.780 3.923 3.708 3.988 . 0 0 "[ . 1 . 2]" 2
709 1 38 PRO HA 1 39 PRO QG . . 4.750 4.097 4.096 4.098 . 0 0 "[ . 1 . 2]" 2
710 1 38 PRO HA 1 39 PRO QD . . 2.840 2.178 2.177 2.179 . 0 0 "[ . 1 . 2]" 2
711 1 38 PRO HB2 1 39 PRO QD . . 3.000 2.052 2.047 2.054 . 0 0 "[ . 1 . 2]" 2
712 1 38 PRO HB3 1 39 PRO QD . . 3.430 2.659 2.657 2.660 . 0 0 "[ . 1 . 2]" 2
713 1 39 PRO QB 1 40 LEU H . . 3.600 2.809 2.688 2.844 . 0 0 "[ . 1 . 2]" 2
714 1 40 LEU MD1 1 44 PRO QG . . 3.640 2.008 1.992 2.075 . 0 0 "[ . 1 . 2]" 2
715 1 41 LYS H 1 41 LYS QG . . 4.510 4.093 4.012 4.174 . 0 0 "[ . 1 . 2]" 2
716 1 41 LYS HA 1 41 LYS QG . . 3.560 2.578 2.379 3.039 . 0 0 "[ . 1 . 2]" 2
717 1 41 LYS HA 1 41 LYS QD . . 4.220 3.388 2.097 4.136 . 0 0 "[ . 1 . 2]" 2
718 1 41 LYS QG 1 42 THR H . . 5.150 2.864 2.648 3.299 . 0 0 "[ . 1 . 2]" 2
719 1 41 LYS QG 1 42 THR HB . . 5.340 4.614 4.386 5.172 . 0 0 "[ . 1 . 2]" 2
720 1 42 THR HA 1 43 ILE QG . . 4.680 3.883 3.719 4.217 . 0 0 "[ . 1 . 2]" 2
721 1 43 ILE H 1 43 ILE QG . . 3.330 2.284 2.105 2.811 . 0 0 "[ . 1 . 2]" 2
722 1 43 ILE HA 1 43 ILE QG . . 3.430 2.565 2.312 2.962 . 0 0 "[ . 1 . 2]" 2
723 1 43 ILE HA 1 44 PRO QG . . 4.290 3.768 3.768 3.769 . 0 0 "[ . 1 . 2]" 2
724 1 43 ILE QG 1 44 PRO HD2 . . 4.830 3.959 3.735 4.458 . 0 0 "[ . 1 . 2]" 2
725 1 44 PRO QG 1 48 TRP HA . . 5.350 5.064 4.832 5.251 . 0 0 "[ . 1 . 2]" 2
726 1 44 PRO QG 1 48 TRP HB2 . . 3.930 3.003 2.765 3.197 . 0 0 "[ . 1 . 2]" 2
727 1 44 PRO QG 1 48 TRP HB3 . . 4.540 3.483 3.387 3.587 . 0 0 "[ . 1 . 2]" 2
728 1 44 PRO QG 1 48 TRP HD1 . . 3.700 3.397 3.108 3.651 . 0 0 "[ . 1 . 2]" 2
729 1 45 LYS H 1 45 LYS QB . . 3.430 2.197 2.042 2.530 . 0 0 "[ . 1 . 2]" 2
730 1 45 LYS H 1 45 LYS QG . . 4.240 2.990 2.034 3.735 . 0 0 "[ . 1 . 2]" 2
731 1 45 LYS HA 1 45 LYS QG . . 3.710 2.336 2.007 3.344 . 0 0 "[ . 1 . 2]" 2
732 1 45 LYS HA 1 45 LYS QD . . 4.660 3.646 2.535 4.264 . 0 0 "[ . 1 . 2]" 2
733 1 45 LYS QB 1 45 LYS QD . . 3.240 2.081 1.968 2.232 . 0 0 "[ . 1 . 2]" 2
734 1 46 GLY QA 1 47 MET H . . 3.020 2.236 2.230 2.242 . 0 0 "[ . 1 . 2]" 2
735 1 47 MET H 1 47 MET QB . . 3.360 2.245 2.226 2.250 . 0 0 "[ . 1 . 2]" 2
736 1 47 MET QG 1 48 TRP H . . 4.260 3.277 3.183 3.348 . 0 0 "[ . 1 . 2]" 2
737 1 47 MET QG 1 49 ILE MG . . 5.230 4.854 4.706 5.095 . 0 0 "[ . 1 . 2]" 2
738 1 47 MET QG 1 49 ILE QG . . 4.680 2.675 2.568 2.851 . 0 0 "[ . 1 . 2]" 2
739 1 47 MET QG 1 49 ILE MD . . 4.170 2.960 2.725 3.412 . 0 0 "[ . 1 . 2]" 2
740 1 47 MET ME 1 49 ILE QG . . 4.320 2.814 2.485 3.082 . 0 0 "[ . 1 . 2]" 2
741 1 48 TRP HA 1 49 ILE QG . . 5.040 3.388 3.305 3.487 . 0 0 "[ . 1 . 2]" 2
742 1 49 ILE HA 1 49 ILE QG . . 3.720 2.458 2.401 2.499 . 0 0 "[ . 1 . 2]" 2
743 1 49 ILE MG 1 54 GLN QG . . 3.490 2.480 2.172 2.644 . 0 0 "[ . 1 . 2]" 2
744 1 51 PRO HA 1 54 GLN QG . . 3.870 3.349 2.937 3.575 . 0 0 "[ . 1 . 2]" 2
745 1 51 PRO QB 1 52 ARG H . . 3.890 3.529 3.515 3.552 . 0 0 "[ . 1 . 2]" 2
746 1 52 ARG H 1 52 ARG QB . . 3.120 2.091 2.078 2.110 . 0 0 "[ . 1 . 2]" 2
747 1 52 ARG H 1 52 ARG QG . . 3.780 3.514 3.233 3.760 . 0 0 "[ . 1 . 2]" 2
748 1 52 ARG HA 1 52 ARG QG . . 3.560 2.203 2.010 2.490 . 0 0 "[ . 1 . 2]" 2
749 1 52 ARG HA 1 52 ARG QD . . 4.330 2.938 2.483 3.506 . 0 0 "[ . 1 . 2]" 2
750 1 52 ARG QB 1 52 ARG QD . . 3.300 2.142 1.963 2.260 . 0 0 "[ . 1 . 2]" 2
751 1 52 ARG QB 1 53 CYS H . . 3.730 3.005 2.983 3.033 . 0 0 "[ . 1 . 2]" 2
752 1 54 GLN HA 1 54 GLN QG . . 3.270 2.476 2.399 2.591 . 0 0 "[ . 1 . 2]" 2
753 1 55 ASP H 1 55 ASP QB . . 3.570 2.445 2.080 3.389 . 0 0 "[ . 1 . 2]" 2
754 1 56 GLN H 1 56 GLN QB . . 3.560 2.671 2.042 3.323 . 0 0 "[ . 1 . 2]" 2
755 1 56 GLN H 1 56 GLN QG . . 4.500 3.380 2.095 4.257 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.195
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0019
_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 24 CYS 0.010 0.003 15 0 "[ . 1 . 2]"
1 26 THR 0.010 0.003 15 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 24 CYS O 1 26 THR H . . 2.500 2.500 2.496 2.503 0.003 15 0 "[ . 1 . 2]" 3
stop_
save_
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