NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506043 |
1wew   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wew
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 28
_Distance_constraint_stats_list.Viol_count 169
_Distance_constraint_stats_list.Viol_total 10.771
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0032
_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 19 CYS 0.072 0.016 3 0 "[ . 1 . 2]"
1 21 CYS 0.129 0.015 3 0 "[ . 1 . 2]"
1 33 CYS 0.058 0.007 15 0 "[ . 1 . 2]"
1 38 CYS 0.045 0.007 15 0 "[ . 1 . 2]"
1 43 HIS 0.180 0.019 3 0 "[ . 1 . 2]"
1 46 CYS 0.051 0.007 1 0 "[ . 1 . 2]"
1 66 CYS 0.090 0.011 15 0 "[ . 1 . 2]"
1 69 CYS 0.013 0.004 15 0 "[ . 1 . 2]"
2 1 ZN 0.310 0.019 3 0 "[ . 1 . 2]"
3 1 ZN 0.130 0.011 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 19 CYS SG 2 1 ZN ZN . 2.330 2.370 2.346 2.314 2.372 0.016 3 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.330 2.315 2.362 0.015 3 0 "[ . 1 . 2]" 1
3 1 46 CYS SG 2 1 ZN ZN . 2.330 2.370 2.347 2.325 2.375 0.005 14 0 "[ . 1 . 2]" 1
4 1 43 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.369 2.333 2.383 0.013 14 0 "[ . 1 . 2]" 1
5 1 19 CYS CB 2 1 ZN ZN . 3.250 3.510 3.331 3.246 3.519 0.009 3 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.355 3.247 3.514 0.004 16 0 "[ . 1 . 2]" 1
7 1 43 HIS CG 2 1 ZN ZN . 3.250 3.510 3.247 3.231 3.287 0.019 3 0 "[ . 1 . 2]" 1
8 1 46 CYS CB 2 1 ZN ZN . 3.250 3.510 3.305 3.248 3.400 0.002 18 0 "[ . 1 . 2]" 1
9 1 19 CYS SG 1 21 CYS SG . 3.200 4.000 3.835 3.511 4.009 0.009 3 0 "[ . 1 . 2]" 1
10 1 19 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.783 3.600 3.979 . 0 0 "[ . 1 . 2]" 1
11 1 19 CYS SG 1 46 CYS SG . 3.200 4.000 3.872 3.615 4.002 0.002 17 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.800 3.366 4.009 0.009 3 0 "[ . 1 . 2]" 1
13 1 21 CYS SG 1 46 CYS SG . 3.200 4.000 3.776 3.199 4.007 0.007 1 0 "[ . 1 . 2]" 1
14 1 43 HIS ND1 1 46 CYS SG . 3.200 4.000 3.850 3.668 4.001 0.001 18 0 "[ . 1 . 2]" 1
15 1 33 CYS SG 3 1 ZN ZN . 2.330 2.370 2.332 2.323 2.346 0.007 15 0 "[ . 1 . 2]" 1
16 1 38 CYS SG 3 1 ZN ZN . 2.330 2.370 2.345 2.328 2.373 0.003 1 0 "[ . 1 . 2]" 1
17 1 66 CYS SG 3 1 ZN ZN . 2.330 2.370 2.329 2.319 2.348 0.011 15 0 "[ . 1 . 2]" 1
18 1 69 CYS SG 3 1 ZN ZN . 2.330 2.370 2.347 2.326 2.371 0.004 15 0 "[ . 1 . 2]" 1
19 1 33 CYS CB 3 1 ZN ZN . 3.250 3.510 3.415 3.284 3.512 0.002 9 0 "[ . 1 . 2]" 1
20 1 38 CYS CB 3 1 ZN ZN . 3.250 3.510 3.257 3.243 3.351 0.007 15 0 "[ . 1 . 2]" 1
21 1 66 CYS CB 3 1 ZN ZN . 3.250 3.510 3.498 3.415 3.516 0.006 17 0 "[ . 1 . 2]" 1
22 1 69 CYS CB 3 1 ZN ZN . 3.250 3.510 3.303 3.247 3.495 0.003 17 0 "[ . 1 . 2]" 1
23 1 33 CYS SG 1 38 CYS SG . 3.200 4.000 3.923 3.716 4.005 0.005 12 0 "[ . 1 . 2]" 1
24 1 33 CYS SG 1 66 CYS SG . 3.200 4.000 3.997 3.978 4.005 0.005 17 0 "[ . 1 . 2]" 1
25 1 33 CYS SG 1 69 CYS SG . 3.200 4.000 3.499 3.201 3.811 . 0 0 "[ . 1 . 2]" 1
26 1 38 CYS SG 1 66 CYS SG . 3.200 4.000 3.690 3.422 3.922 . 0 0 "[ . 1 . 2]" 1
27 1 38 CYS SG 1 69 CYS SG . 3.200 4.000 3.807 3.380 4.002 0.002 12 0 "[ . 1 . 2]" 1
28 1 66 CYS SG 1 69 CYS SG . 3.200 4.000 3.919 3.757 4.001 0.001 5 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 1019
_Distance_constraint_stats_list.Viol_count 386
_Distance_constraint_stats_list.Viol_total 208.213
_Distance_constraint_stats_list.Viol_max 0.225
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0270
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.001 0.001 3 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.618 0.089 11 0 "[ . 1 . 2]"
1 11 PHE 1.170 0.094 14 0 "[ . 1 . 2]"
1 12 GLN 0.532 0.094 14 0 "[ . 1 . 2]"
1 13 PRO 0.028 0.022 14 0 "[ . 1 . 2]"
1 14 GLU 0.056 0.018 4 0 "[ . 1 . 2]"
1 15 ILE 0.103 0.042 12 0 "[ . 1 . 2]"
1 16 LYS 1.044 0.124 20 0 "[ . 1 . 2]"
1 17 VAL 0.237 0.032 11 0 "[ . 1 . 2]"
1 18 ARG 1.441 0.124 20 0 "[ . 1 . 2]"
1 19 CYS 0.539 0.080 6 0 "[ . 1 . 2]"
1 20 VAL 0.039 0.016 15 0 "[ . 1 . 2]"
1 21 CYS 0.053 0.018 12 0 "[ . 1 . 2]"
1 22 GLY 0.047 0.018 12 0 "[ . 1 . 2]"
1 23 ASN 0.151 0.037 3 0 "[ . 1 . 2]"
1 24 SER 0.030 0.018 12 0 "[ . 1 . 2]"
1 25 LEU 0.156 0.055 3 0 "[ . 1 . 2]"
1 26 GLU 0.130 0.055 3 0 "[ . 1 . 2]"
1 27 THR 0.623 0.133 8 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 0.615 0.133 8 0 "[ . 1 . 2]"
1 30 MET 0.423 0.059 11 0 "[ . 1 . 2]"
1 31 ILE 0.408 0.056 14 0 "[ . 1 . 2]"
1 32 GLN 0.058 0.036 3 0 "[ . 1 . 2]"
1 33 CYS 0.055 0.013 15 0 "[ . 1 . 2]"
1 34 GLU 0.051 0.019 6 0 "[ . 1 . 2]"
1 35 ASP 0.032 0.018 14 0 "[ . 1 . 2]"
1 36 PRO 0.043 0.018 14 0 "[ . 1 . 2]"
1 37 ARG 0.366 0.126 18 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 HIS 0.152 0.027 8 0 "[ . 1 . 2]"
1 40 VAL 0.121 0.034 15 0 "[ . 1 . 2]"
1 41 TRP 0.134 0.042 12 0 "[ . 1 . 2]"
1 42 GLN 0.294 0.084 15 0 "[ . 1 . 2]"
1 43 HIS 0.384 0.045 1 0 "[ . 1 . 2]"
1 44 VAL 0.361 0.141 10 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.237 0.045 1 0 "[ . 1 . 2]"
1 47 VAL 0.021 0.015 15 0 "[ . 1 . 2]"
1 48 ILE 1.748 0.125 8 0 "[ . 1 . 2]"
1 49 LEU 0.225 0.125 8 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.009 0.009 12 0 "[ . 1 . 2]"
1 52 LYS 0.111 0.083 19 0 "[ . 1 . 2]"
1 53 PRO 0.155 0.083 19 0 "[ . 1 . 2]"
1 54 MET 0.127 0.074 3 0 "[ . 1 . 2]"
1 55 ASP 0.024 0.014 14 0 "[ . 1 . 2]"
1 56 GLY 0.024 0.014 14 0 "[ . 1 . 2]"
1 57 ASN 0.019 0.012 17 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.086 0.025 10 0 "[ . 1 . 2]"
1 60 LEU 0.215 0.061 10 0 "[ . 1 . 2]"
1 61 PRO 0.114 0.061 10 0 "[ . 1 . 2]"
1 62 GLU 0.413 0.087 1 0 "[ . 1 . 2]"
1 63 SER 0.229 0.087 1 0 "[ . 1 . 2]"
1 64 PHE 0.036 0.012 15 0 "[ . 1 . 2]"
1 65 TYR 0.013 0.009 17 0 "[ . 1 . 2]"
1 66 CYS 0.052 0.013 15 0 "[ . 1 . 2]"
1 67 GLU 0.263 0.189 15 0 "[ . 1 . 2]"
1 68 ILE 0.477 0.101 15 0 "[ . 1 . 2]"
1 69 CYS 0.347 0.101 15 0 "[ . 1 . 2]"
1 70 ARG 0.279 0.189 15 0 "[ . 1 . 2]"
1 71 LEU 0.322 0.123 13 0 "[ . 1 . 2]"
1 72 THR 0.814 0.225 13 0 "[ . 1 . 2]"
1 73 SER 0.276 0.142 7 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 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 18 ARG H 1 18 ARG HB3 . . 4.110 3.332 2.947 3.524 . 0 0 "[ . 1 . 2]" 2
2 1 18 ARG H 1 40 VAL MG2 . . 4.360 4.019 3.752 4.338 . 0 0 "[ . 1 . 2]" 2
3 1 17 VAL HA 1 18 ARG H . . 3.010 2.693 2.622 2.789 . 0 0 "[ . 1 . 2]" 2
4 1 18 ARG H 1 40 VAL HB . . 4.090 2.745 2.346 3.068 . 0 0 "[ . 1 . 2]" 2
5 1 16 LYS H 1 41 TRP HE1 . . 4.380 3.936 2.843 4.381 0.001 6 0 "[ . 1 . 2]" 2
6 1 32 GLN HE21 1 41 TRP HE1 . . 4.100 2.967 2.013 3.791 . 0 0 "[ . 1 . 2]" 2
7 1 32 GLN HE22 1 41 TRP HE1 . . 4.100 3.342 2.439 3.876 . 0 0 "[ . 1 . 2]" 2
8 1 15 ILE HA 1 41 TRP HE1 . . 4.110 2.747 2.175 3.564 . 0 0 "[ . 1 . 2]" 2
9 1 15 ILE MD 1 41 TRP HE1 . . 4.390 3.639 2.296 4.432 0.042 12 0 "[ . 1 . 2]" 2
10 1 32 GLN HG2 1 33 CYS H . . 4.330 2.918 2.218 3.974 . 0 0 "[ . 1 . 2]" 2
11 1 32 GLN HA 1 33 CYS H . . 3.160 2.213 2.139 2.314 . 0 0 "[ . 1 . 2]" 2
12 1 33 CYS H 1 33 CYS HB3 . . 3.670 2.717 2.526 2.958 . 0 0 "[ . 1 . 2]" 2
13 1 33 CYS H 1 33 CYS HB2 . . 3.660 2.388 2.186 2.578 . 0 0 "[ . 1 . 2]" 2
14 1 32 GLN HG3 1 33 CYS H . . 4.330 2.940 2.481 3.675 . 0 0 "[ . 1 . 2]" 2
15 1 16 LYS H 1 41 TRP HD1 . . 3.540 2.015 1.895 2.286 . 0 0 "[ . 1 . 2]" 2
16 1 15 ILE HA 1 16 LYS H . . 3.000 2.240 2.144 2.379 . 0 0 "[ . 1 . 2]" 2
17 1 16 LYS H 1 16 LYS HB2 . . 3.440 2.956 2.444 3.274 . 0 0 "[ . 1 . 2]" 2
18 1 16 LYS H 1 16 LYS HB3 . . 3.440 2.537 2.353 2.673 . 0 0 "[ . 1 . 2]" 2
19 1 15 ILE HB 1 16 LYS H . . 4.440 3.872 3.305 4.197 . 0 0 "[ . 1 . 2]" 2
20 1 16 LYS H 1 16 LYS QD . . 4.960 4.550 4.063 4.872 . 0 0 "[ . 1 . 2]" 2
21 1 15 ILE MG 1 16 LYS H . . 4.100 2.144 1.888 2.660 . 0 0 "[ . 1 . 2]" 2
22 1 32 GLN H 1 32 GLN HB3 . . 3.680 2.621 2.343 2.837 . 0 0 "[ . 1 . 2]" 2
23 1 31 ILE HA 1 32 GLN H . . 3.230 2.187 2.151 2.351 . 0 0 "[ . 1 . 2]" 2
24 1 31 ILE MG 1 32 GLN H . . 4.130 3.838 3.462 4.126 . 0 0 "[ . 1 . 2]" 2
25 1 31 ILE HB 1 32 GLN H . . 3.420 3.071 2.515 3.266 . 0 0 "[ . 1 . 2]" 2
26 1 32 GLN H 1 32 GLN HB2 . . 3.680 2.665 2.401 2.924 . 0 0 "[ . 1 . 2]" 2
27 1 34 GLU H 1 65 TYR HA . . 3.920 3.353 2.918 3.891 . 0 0 "[ . 1 . 2]" 2
28 1 33 CYS HA 1 34 GLU H . . 3.060 2.215 2.140 2.418 . 0 0 "[ . 1 . 2]" 2
29 1 34 GLU H 1 34 GLU HG2 . . 4.640 3.704 2.255 4.627 . 0 0 "[ . 1 . 2]" 2
30 1 34 GLU H 1 34 GLU HB2 . . 4.140 2.330 2.184 2.542 . 0 0 "[ . 1 . 2]" 2
31 1 34 GLU H 1 34 GLU HB3 . . 4.140 3.128 2.516 3.595 . 0 0 "[ . 1 . 2]" 2
32 1 18 ARG HA 1 19 CYS H . . 3.220 2.864 2.801 3.086 . 0 0 "[ . 1 . 2]" 2
33 1 19 CYS H 1 19 CYS HB3 . . 3.650 2.827 2.554 2.975 . 0 0 "[ . 1 . 2]" 2
34 1 19 CYS H 1 19 CYS HB2 . . 3.720 2.275 2.171 2.536 . 0 0 "[ . 1 . 2]" 2
35 1 17 VAL MG1 1 19 CYS H . . 4.060 2.897 2.625 3.338 . 0 0 "[ . 1 . 2]" 2
36 1 44 VAL H 1 45 GLY H . . 3.940 2.667 2.481 2.868 . 0 0 "[ . 1 . 2]" 2
37 1 30 MET HA 1 44 VAL H . . 3.590 2.805 2.306 3.190 . 0 0 "[ . 1 . 2]" 2
38 1 44 VAL H 1 44 VAL HB . . 3.380 2.539 2.398 3.521 0.141 10 0 "[ . 1 . 2]" 2
39 1 48 ILE HA 1 49 LEU H . . 3.150 2.182 2.140 2.339 . 0 0 "[ . 1 . 2]" 2
40 1 49 LEU H 1 49 LEU HB2 . . 3.660 2.965 2.189 3.624 . 0 0 "[ . 1 . 2]" 2
41 1 49 LEU H 1 49 LEU HG . . 4.220 3.232 2.002 4.182 . 0 0 "[ . 1 . 2]" 2
42 1 48 ILE MG 1 49 LEU H . . 3.750 2.412 1.920 3.190 . 0 0 "[ . 1 . 2]" 2
43 1 69 CYS H 1 69 CYS HB3 . . 3.830 3.565 3.510 3.656 . 0 0 "[ . 1 . 2]" 2
44 1 68 ILE HB 1 69 CYS H . . 3.370 2.947 2.720 3.264 . 0 0 "[ . 1 . 2]" 2
45 1 68 ILE MG 1 69 CYS H . . 3.810 3.745 3.507 3.867 0.057 13 0 "[ . 1 . 2]" 2
46 1 69 CYS H 1 69 CYS HB2 . . 3.430 2.297 2.215 2.442 . 0 0 "[ . 1 . 2]" 2
47 1 17 VAL H 1 17 VAL HA . . 2.840 2.284 2.276 2.295 . 0 0 "[ . 1 . 2]" 2
48 1 34 GLU HB2 1 35 ASP H . . 4.550 3.149 2.437 3.952 . 0 0 "[ . 1 . 2]" 2
49 1 17 VAL H 1 17 VAL MG2 . . 3.310 2.628 2.325 2.785 . 0 0 "[ . 1 . 2]" 2
50 1 64 PHE H 1 64 PHE QD . . 4.770 4.114 3.823 4.378 . 0 0 "[ . 1 . 2]" 2
51 1 63 SER HA 1 64 PHE H . . 3.020 2.212 2.140 2.416 . 0 0 "[ . 1 . 2]" 2
52 1 63 SER QB 1 64 PHE H . . 3.940 3.269 2.380 3.815 . 0 0 "[ . 1 . 2]" 2
53 1 64 PHE H 1 64 PHE QB . . 3.350 2.604 2.299 2.909 . 0 0 "[ . 1 . 2]" 2
54 1 19 CYS HA 1 20 VAL H . . 3.500 2.438 2.261 2.617 . 0 0 "[ . 1 . 2]" 2
55 1 20 VAL H 1 20 VAL HB . . 3.790 3.630 3.597 3.669 . 0 0 "[ . 1 . 2]" 2
56 1 20 VAL H 1 20 VAL MG2 . . 2.960 1.920 1.870 2.139 . 0 0 "[ . 1 . 2]" 2
57 1 25 LEU HA 1 26 GLU H . . 2.730 2.402 2.332 2.493 . 0 0 "[ . 1 . 2]" 2
58 1 26 GLU H 1 26 GLU HB3 . . 4.010 3.656 3.244 3.845 . 0 0 "[ . 1 . 2]" 2
59 1 25 LEU HB3 1 26 GLU H . . 3.970 3.911 3.746 4.025 0.055 3 0 "[ . 1 . 2]" 2
60 1 25 LEU HB2 1 26 GLU H . . 3.910 2.538 2.294 2.709 . 0 0 "[ . 1 . 2]" 2
61 1 25 LEU MD2 1 26 GLU H . . 4.730 4.509 4.255 4.728 . 0 0 "[ . 1 . 2]" 2
62 1 47 VAL HB 1 48 ILE H . . 4.490 3.618 3.342 3.853 . 0 0 "[ . 1 . 2]" 2
63 1 47 VAL H 1 48 ILE H . . 3.320 2.239 1.941 2.762 . 0 0 "[ . 1 . 2]" 2
64 1 48 ILE H 1 48 ILE HB . . 3.430 2.622 2.508 2.709 . 0 0 "[ . 1 . 2]" 2
65 1 47 VAL MG2 1 48 ILE H . . 3.270 1.845 1.751 1.990 . 0 0 "[ . 1 . 2]" 2
66 1 15 ILE H 1 15 ILE MG . . 4.360 3.802 3.739 3.916 . 0 0 "[ . 1 . 2]" 2
67 1 15 ILE H 1 15 ILE MD . . 4.590 3.556 3.051 3.930 . 0 0 "[ . 1 . 2]" 2
68 1 14 GLU HA 1 15 ILE H . . 3.100 2.536 2.323 2.764 . 0 0 "[ . 1 . 2]" 2
69 1 13 PRO QG 1 15 ILE H . . 4.080 3.559 2.912 4.102 0.022 14 0 "[ . 1 . 2]" 2
70 1 14 GLU QB 1 15 ILE H . . 4.280 3.896 3.819 4.048 . 0 0 "[ . 1 . 2]" 2
71 1 15 ILE H 1 15 ILE HB . . 3.220 2.615 2.422 2.870 . 0 0 "[ . 1 . 2]" 2
72 1 15 ILE H 1 16 LYS H . . 4.690 4.545 4.334 4.639 . 0 0 "[ . 1 . 2]" 2
73 1 37 ARG H 1 38 CYS H . . 3.130 2.662 2.542 2.774 . 0 0 "[ . 1 . 2]" 2
74 1 38 CYS H 1 39 HIS H . . 3.410 2.917 2.638 3.117 . 0 0 "[ . 1 . 2]" 2
75 1 35 ASP HB3 1 38 CYS H . . 4.110 2.552 2.324 2.904 . 0 0 "[ . 1 . 2]" 2
76 1 38 CYS H 1 38 CYS HB2 . . 3.450 2.297 2.211 2.494 . 0 0 "[ . 1 . 2]" 2
77 1 38 CYS H 1 38 CYS HB3 . . 3.450 2.827 2.697 2.898 . 0 0 "[ . 1 . 2]" 2
78 1 37 ARG HB3 1 38 CYS H . . 4.580 3.821 3.471 4.191 . 0 0 "[ . 1 . 2]" 2
79 1 11 PHE HA 1 12 GLN H . . 3.230 2.849 2.610 3.124 . 0 0 "[ . 1 . 2]" 2
80 1 11 PHE QB 1 12 GLN H . . 3.860 3.853 3.737 3.954 0.094 14 0 "[ . 1 . 2]" 2
81 1 12 GLN H 1 12 GLN QG . . 3.770 2.752 1.875 3.705 . 0 0 "[ . 1 . 2]" 2
82 1 68 ILE H 1 69 CYS H . . 3.170 2.382 1.813 2.542 . 0 0 "[ . 1 . 2]" 2
83 1 68 ILE H 1 68 ILE HG12 . . 4.100 3.742 3.534 3.989 . 0 0 "[ . 1 . 2]" 2
84 1 68 ILE H 1 68 ILE HG13 . . 4.100 2.405 2.034 3.197 . 0 0 "[ . 1 . 2]" 2
85 1 68 ILE H 1 68 ILE MD . . 4.090 2.999 1.846 3.803 . 0 0 "[ . 1 . 2]" 2
86 1 64 PHE HA 1 65 TYR H . . 3.050 2.248 2.140 2.410 . 0 0 "[ . 1 . 2]" 2
87 1 30 MET H 1 30 MET HG2 . . 4.340 4.215 4.026 4.352 0.012 15 0 "[ . 1 . 2]" 2
88 1 30 MET H 1 30 MET HB2 . . 3.430 2.884 2.728 3.023 . 0 0 "[ . 1 . 2]" 2
89 1 42 GLN HA 1 43 HIS H . . 3.390 2.166 2.138 2.287 . 0 0 "[ . 1 . 2]" 2
90 1 19 CYS HB2 1 43 HIS H . . 3.720 2.974 2.499 3.194 . 0 0 "[ . 1 . 2]" 2
91 1 8 GLU HA 1 9 ASP H . . 3.280 2.257 2.140 2.576 . 0 0 "[ . 1 . 2]" 2
92 1 65 TYR HA 1 66 CYS H . . 3.200 2.152 2.137 2.302 . 0 0 "[ . 1 . 2]" 2
93 1 66 CYS H 1 66 CYS HB2 . . 4.130 3.581 3.558 3.616 . 0 0 "[ . 1 . 2]" 2
94 1 66 CYS H 1 66 CYS HB3 . . 3.240 2.413 2.319 2.595 . 0 0 "[ . 1 . 2]" 2
95 1 23 ASN H 1 43 HIS HE1 . . 4.790 4.405 3.668 4.789 . 0 0 "[ . 1 . 2]" 2
96 1 22 GLY H 1 23 ASN H . . 3.470 2.551 2.340 2.883 . 0 0 "[ . 1 . 2]" 2
97 1 23 ASN H 1 23 ASN HB2 . . 3.660 2.608 2.249 3.681 0.021 4 0 "[ . 1 . 2]" 2
98 1 23 ASN H 1 23 ASN HB3 . . 3.660 3.214 2.840 3.668 0.008 8 0 "[ . 1 . 2]" 2
99 1 59 PRO HA 1 60 LEU H . . 2.940 2.548 2.472 2.672 . 0 0 "[ . 1 . 2]" 2
100 1 59 PRO HB2 1 60 LEU H . . 4.460 2.268 2.003 2.438 . 0 0 "[ . 1 . 2]" 2
101 1 60 LEU H 1 60 LEU HG . . 3.290 2.330 1.909 2.936 . 0 0 "[ . 1 . 2]" 2
102 1 60 LEU H 1 60 LEU HB2 . . 3.910 3.054 2.357 3.604 . 0 0 "[ . 1 . 2]" 2
103 1 60 LEU H 1 60 LEU HB3 . . 3.910 3.044 2.355 3.611 . 0 0 "[ . 1 . 2]" 2
104 1 25 LEU H 1 25 LEU MD1 . . 4.160 3.788 3.512 3.982 . 0 0 "[ . 1 . 2]" 2
105 1 24 SER H 1 25 LEU H . . 3.880 2.791 1.891 3.271 . 0 0 "[ . 1 . 2]" 2
106 1 23 ASN H 1 25 LEU H . . 5.360 4.868 3.587 5.359 . 0 0 "[ . 1 . 2]" 2
107 1 24 SER HA 1 25 LEU H . . 3.500 2.908 2.743 3.481 . 0 0 "[ . 1 . 2]" 2
108 1 25 LEU H 1 25 LEU HB3 . . 2.860 2.722 2.294 2.885 0.025 12 0 "[ . 1 . 2]" 2
109 1 25 LEU H 1 25 LEU HB2 . . 3.810 3.724 3.548 3.796 . 0 0 "[ . 1 . 2]" 2
110 1 17 VAL MG1 1 25 LEU H . . 4.240 2.708 2.420 3.744 . 0 0 "[ . 1 . 2]" 2
111 1 14 GLU H 1 14 GLU QB . . 2.920 2.392 2.182 2.680 . 0 0 "[ . 1 . 2]" 2
112 1 31 ILE H 1 42 GLN H . . 3.700 2.883 2.486 3.570 . 0 0 "[ . 1 . 2]" 2
113 1 30 MET HA 1 31 ILE H . . 3.240 2.356 2.242 2.617 . 0 0 "[ . 1 . 2]" 2
114 1 30 MET HB3 1 31 ILE H . . 3.270 2.580 1.991 2.876 . 0 0 "[ . 1 . 2]" 2
115 1 30 MET HB2 1 31 ILE H . . 4.150 3.792 3.142 4.047 . 0 0 "[ . 1 . 2]" 2
116 1 31 ILE H 1 41 TRP HE3 . . 4.000 3.657 3.116 3.994 . 0 0 "[ . 1 . 2]" 2
117 1 31 ILE H 1 31 ILE MD . . 3.850 3.309 1.737 3.842 . 0 0 "[ . 1 . 2]" 2
118 1 61 PRO HA 1 62 GLU H . . 3.040 2.172 2.151 2.250 . 0 0 "[ . 1 . 2]" 2
119 1 61 PRO HB3 1 62 GLU H . . 4.360 4.044 3.694 4.326 . 0 0 "[ . 1 . 2]" 2
120 1 10 PRO HB2 1 11 PHE H . . 4.650 3.816 2.842 4.049 . 0 0 "[ . 1 . 2]" 2
121 1 11 PHE H 1 11 PHE QD . . 3.980 3.049 2.181 3.976 . 0 0 "[ . 1 . 2]" 2
122 1 11 PHE H 1 11 PHE QB . . 3.290 2.643 2.194 3.354 0.064 17 0 "[ . 1 . 2]" 2
123 1 10 PRO HB3 1 11 PHE H . . 4.650 4.418 3.857 4.550 . 0 0 "[ . 1 . 2]" 2
124 1 7 GLY QA 1 8 GLU H . . 3.320 2.375 2.141 2.748 . 0 0 "[ . 1 . 2]" 2
125 1 8 GLU H 1 8 GLU QG . . 4.170 3.344 2.142 4.171 0.001 3 0 "[ . 1 . 2]" 2
126 1 52 LYS H 1 54 MET H . . 4.290 3.932 2.632 4.242 . 0 0 "[ . 1 . 2]" 2
127 1 52 LYS H 1 53 PRO QG . . 4.350 3.875 3.518 4.088 . 0 0 "[ . 1 . 2]" 2
128 1 52 LYS H 1 52 LYS HB2 . . 3.890 2.406 2.124 3.034 . 0 0 "[ . 1 . 2]" 2
129 1 52 LYS H 1 52 LYS HB3 . . 3.890 2.920 2.151 3.597 . 0 0 "[ . 1 . 2]" 2
130 1 52 LYS H 1 52 LYS QG . . 4.220 3.616 2.863 4.099 . 0 0 "[ . 1 . 2]" 2
131 1 54 MET H 1 54 MET QG . . 4.060 3.297 1.940 4.134 0.074 3 0 "[ . 1 . 2]" 2
132 1 53 PRO QG 1 54 MET H . . 3.660 2.169 1.882 2.764 . 0 0 "[ . 1 . 2]" 2
133 1 54 MET H 1 54 MET HB3 . . 4.110 3.355 2.424 4.094 . 0 0 "[ . 1 . 2]" 2
134 1 53 PRO HB3 1 54 MET H . . 4.280 4.036 3.869 4.324 0.044 20 0 "[ . 1 . 2]" 2
135 1 18 ARG H 1 41 TRP H . . 4.160 3.060 2.585 3.519 . 0 0 "[ . 1 . 2]" 2
136 1 40 VAL HA 1 41 TRP H . . 3.410 2.274 2.140 2.462 . 0 0 "[ . 1 . 2]" 2
137 1 17 VAL HA 1 41 TRP H . . 3.780 3.558 3.118 3.808 0.028 18 0 "[ . 1 . 2]" 2
138 1 41 TRP H 1 41 TRP HB2 . . 3.850 2.446 2.346 2.568 . 0 0 "[ . 1 . 2]" 2
139 1 40 VAL HB 1 41 TRP H . . 3.680 2.779 2.280 3.463 . 0 0 "[ . 1 . 2]" 2
140 1 40 VAL MG1 1 41 TRP H . . 4.240 3.853 3.677 4.046 . 0 0 "[ . 1 . 2]" 2
141 1 40 VAL MG2 1 41 TRP H . . 4.080 3.601 3.158 4.043 . 0 0 "[ . 1 . 2]" 2
142 1 57 ASN H 1 57 ASN HB3 . . 4.180 3.049 2.347 3.796 . 0 0 "[ . 1 . 2]" 2
143 1 66 CYS HA 1 67 GLU H . . 3.530 2.619 2.528 2.659 . 0 0 "[ . 1 . 2]" 2
144 1 66 CYS HB3 1 67 GLU H . . 3.980 3.621 3.559 3.734 . 0 0 "[ . 1 . 2]" 2
145 1 67 GLU H 1 67 GLU HB2 . . 3.720 3.605 3.593 3.628 . 0 0 "[ . 1 . 2]" 2
146 1 67 GLU H 1 67 GLU HG3 . . 4.170 2.858 2.022 3.847 . 0 0 "[ . 1 . 2]" 2
147 1 67 GLU H 1 67 GLU HB3 . . 3.720 2.553 2.459 2.657 . 0 0 "[ . 1 . 2]" 2
148 1 67 GLU H 1 68 ILE H . . 3.740 2.506 2.413 2.809 . 0 0 "[ . 1 . 2]" 2
149 1 66 CYS HB2 1 67 GLU H . . 3.490 2.107 2.019 2.266 . 0 0 "[ . 1 . 2]" 2
150 1 20 VAL H 1 21 CYS H . . 3.350 2.493 2.164 2.777 . 0 0 "[ . 1 . 2]" 2
151 1 20 VAL HB 1 21 CYS H . . 3.960 3.674 3.543 3.911 . 0 0 "[ . 1 . 2]" 2
152 1 20 VAL MG2 1 21 CYS H . . 3.350 1.970 1.783 2.369 . 0 0 "[ . 1 . 2]" 2
153 1 71 LEU H 1 71 LEU MD1 . . 4.200 3.946 1.785 4.148 . 0 0 "[ . 1 . 2]" 2
154 1 70 ARG H 1 71 LEU H . . 3.730 2.701 2.560 2.822 . 0 0 "[ . 1 . 2]" 2
155 1 71 LEU H 1 72 THR H . . 3.520 2.497 2.229 2.740 . 0 0 "[ . 1 . 2]" 2
156 1 71 LEU H 1 71 LEU HG . . 3.160 2.829 2.553 3.028 . 0 0 "[ . 1 . 2]" 2
157 1 70 ARG QG 1 71 LEU H . . 3.230 2.259 1.940 2.762 . 0 0 "[ . 1 . 2]" 2
158 1 36 PRO HD2 1 37 ARG H . . 4.010 2.769 2.682 2.807 . 0 0 "[ . 1 . 2]" 2
159 1 36 PRO HG2 1 37 ARG H . . 4.050 1.901 1.846 2.091 . 0 0 "[ . 1 . 2]" 2
160 1 41 TRP HA 1 42 GLN H . . 3.160 2.192 2.140 2.316 . 0 0 "[ . 1 . 2]" 2
161 1 32 GLN HA 1 42 GLN H . . 4.070 3.888 3.578 4.075 0.005 3 0 "[ . 1 . 2]" 2
162 1 41 TRP HB3 1 42 GLN H . . 4.140 3.139 2.654 3.547 . 0 0 "[ . 1 . 2]" 2
163 1 42 GLN H 1 42 GLN HG3 . . 4.490 3.636 3.020 4.170 . 0 0 "[ . 1 . 2]" 2
164 1 45 GLY H 1 46 CYS H . . 3.810 2.938 2.651 3.122 . 0 0 "[ . 1 . 2]" 2
165 1 46 CYS H 1 47 VAL H . . 3.390 2.170 1.866 2.919 . 0 0 "[ . 1 . 2]" 2
166 1 43 HIS HB2 1 46 CYS H . . 4.090 3.663 2.986 3.927 . 0 0 "[ . 1 . 2]" 2
167 1 43 HIS HB3 1 46 CYS H . . 4.090 3.851 3.241 4.062 . 0 0 "[ . 1 . 2]" 2
168 1 46 CYS H 1 46 CYS HB2 . . 3.430 2.459 2.199 2.535 . 0 0 "[ . 1 . 2]" 2
169 1 46 CYS H 1 46 CYS HB3 . . 3.620 3.602 3.487 3.643 0.023 10 0 "[ . 1 . 2]" 2
170 1 46 CYS H 1 47 VAL MG2 . . 4.130 3.431 3.254 3.729 . 0 0 "[ . 1 . 2]" 2
171 1 70 ARG H 1 70 ARG HB2 . . 3.660 3.568 3.516 3.591 . 0 0 "[ . 1 . 2]" 2
172 1 70 ARG H 1 70 ARG HB3 . . 3.200 2.377 2.220 2.627 . 0 0 "[ . 1 . 2]" 2
173 1 70 ARG H 1 70 ARG QG . . 3.260 2.424 1.956 2.731 . 0 0 "[ . 1 . 2]" 2
174 1 27 THR HB 1 28 ASP H . . 4.320 2.399 1.938 3.766 . 0 0 "[ . 1 . 2]" 2
175 1 33 CYS HB2 1 40 VAL H . . 4.240 2.720 2.327 3.154 . 0 0 "[ . 1 . 2]" 2
176 1 40 VAL H 1 40 VAL MG2 . . 3.180 2.077 1.868 2.274 . 0 0 "[ . 1 . 2]" 2
177 1 27 THR H 1 30 MET HB2 . . 5.490 4.675 4.347 5.054 . 0 0 "[ . 1 . 2]" 2
178 1 27 THR H 1 43 HIS HD2 . . 3.970 3.125 2.557 3.930 . 0 0 "[ . 1 . 2]" 2
179 1 27 THR H 1 27 THR HB . . 3.930 3.664 3.025 3.881 . 0 0 "[ . 1 . 2]" 2
180 1 26 GLU HA 1 27 THR H . . 2.740 2.248 2.171 2.335 . 0 0 "[ . 1 . 2]" 2
181 1 27 THR H 1 30 MET HG2 . . 3.980 3.583 3.075 4.039 0.059 11 0 "[ . 1 . 2]" 2
182 1 27 THR H 1 30 MET HG3 . . 3.840 2.787 2.509 3.356 . 0 0 "[ . 1 . 2]" 2
183 1 26 GLU HB3 1 27 THR H . . 4.170 3.096 2.606 4.066 . 0 0 "[ . 1 . 2]" 2
184 1 27 THR H 1 30 MET ME . . 3.840 3.118 2.009 3.742 . 0 0 "[ . 1 . 2]" 2
185 1 27 THR H 1 27 THR MG . . 3.600 2.705 1.899 3.118 . 0 0 "[ . 1 . 2]" 2
186 1 26 GLU HB2 1 27 THR H . . 4.170 3.716 2.606 4.197 0.027 11 0 "[ . 1 . 2]" 2
187 1 17 VAL MG1 1 27 THR H . . 5.500 5.179 4.728 5.500 . 0 0 "[ . 1 . 2]" 2
188 1 28 ASP H 1 29 SER H . . 3.830 2.769 2.485 3.200 . 0 0 "[ . 1 . 2]" 2
189 1 27 THR HG1 1 29 SER H . . 3.660 2.698 1.982 3.491 . 0 0 "[ . 1 . 2]" 2
190 1 27 THR HB 1 29 SER H . . 3.830 3.206 2.579 3.963 0.133 8 0 "[ . 1 . 2]" 2
191 1 29 SER H 1 29 SER HB2 . . 3.870 2.894 2.235 3.774 . 0 0 "[ . 1 . 2]" 2
192 1 29 SER H 1 29 SER HB3 . . 3.870 3.541 2.756 3.864 . 0 0 "[ . 1 . 2]" 2
193 1 62 GLU H 1 63 SER H . . 3.980 2.913 2.587 3.168 . 0 0 "[ . 1 . 2]" 2
194 1 63 SER H 1 63 SER QB . . 3.700 2.615 2.261 3.085 . 0 0 "[ . 1 . 2]" 2
195 1 72 THR H 1 73 SER H . . 4.280 3.611 2.275 4.422 0.142 7 0 "[ . 1 . 2]" 2
196 1 72 THR H 1 72 THR HB . . 4.150 3.614 3.417 3.729 . 0 0 "[ . 1 . 2]" 2
197 1 72 THR H 1 72 THR MG . . 4.150 2.451 1.855 2.770 . 0 0 "[ . 1 . 2]" 2
198 1 71 LEU HB2 1 72 THR H . . 4.180 4.022 2.849 4.198 0.018 10 0 "[ . 1 . 2]" 2
199 1 19 CYS HB3 1 22 GLY H . . 4.190 3.180 2.988 3.688 . 0 0 "[ . 1 . 2]" 2
200 1 21 CYS H 1 22 GLY H . . 2.950 2.837 2.637 2.968 0.018 12 0 "[ . 1 . 2]" 2
201 1 39 HIS H 1 40 VAL H . . 4.030 2.989 2.844 3.122 . 0 0 "[ . 1 . 2]" 2
202 1 35 ASP HB3 1 39 HIS H . . 4.290 3.061 2.722 3.747 . 0 0 "[ . 1 . 2]" 2
203 1 38 CYS HB2 1 39 HIS H . . 3.710 3.313 3.249 3.368 . 0 0 "[ . 1 . 2]" 2
204 1 38 CYS HB3 1 39 HIS H . . 3.710 1.949 1.897 2.073 . 0 0 "[ . 1 . 2]" 2
205 1 39 HIS H 1 39 HIS HD2 . . 3.700 3.408 3.230 3.700 0.000 4 0 "[ . 1 . 2]" 2
206 1 73 SER QB 1 74 GLY H . . 4.360 2.985 2.142 3.859 . 0 0 "[ . 1 . 2]" 2
207 1 74 GLY H 1 75 PRO QD . . 4.730 3.800 2.526 4.373 . 0 0 "[ . 1 . 2]" 2
208 1 55 ASP HA 1 56 GLY H . . 3.550 2.793 2.174 3.564 0.014 14 0 "[ . 1 . 2]" 2
209 1 55 ASP QB 1 56 GLY H . . 4.120 3.055 2.160 4.050 . 0 0 "[ . 1 . 2]" 2
210 1 47 VAL H 1 47 VAL MG1 . . 3.900 2.680 2.455 2.928 . 0 0 "[ . 1 . 2]" 2
211 1 47 VAL H 1 47 VAL MG2 . . 3.420 1.909 1.837 2.071 . 0 0 "[ . 1 . 2]" 2
212 1 11 PHE QD 1 12 GLN H . . 4.650 4.544 3.800 4.661 0.011 19 0 "[ . 1 . 2]" 2
213 1 16 LYS H 1 16 LYS HG2 . . 5.170 4.682 4.591 4.822 . 0 0 "[ . 1 . 2]" 2
214 1 16 LYS H 1 16 LYS HG3 . . 5.170 4.358 4.248 4.500 . 0 0 "[ . 1 . 2]" 2
215 1 15 ILE MG 1 17 VAL H . . 4.880 2.616 1.891 3.048 . 0 0 "[ . 1 . 2]" 2
216 1 34 GLU HB3 1 35 ASP H . . 4.550 2.760 2.180 3.565 . 0 0 "[ . 1 . 2]" 2
217 1 18 ARG H 1 41 TRP HB2 . . 4.810 4.152 3.610 4.815 0.005 4 0 "[ . 1 . 2]" 2
218 1 18 ARG H 1 19 CYS H . . 4.510 3.040 2.753 3.157 . 0 0 "[ . 1 . 2]" 2
219 1 18 ARG QG 1 19 CYS H . . 5.500 4.746 4.577 4.929 . 0 0 "[ . 1 . 2]" 2
220 1 19 CYS HB3 1 20 VAL H . . 4.380 3.248 2.764 3.650 . 0 0 "[ . 1 . 2]" 2
221 1 19 CYS H 1 20 VAL H . . 5.080 4.619 4.568 4.646 . 0 0 "[ . 1 . 2]" 2
222 1 21 CYS H 1 46 CYS HB3 . . 5.030 4.230 3.717 5.011 . 0 0 "[ . 1 . 2]" 2
223 1 21 CYS H 1 23 ASN H . . 4.750 4.565 4.219 4.756 0.006 7 0 "[ . 1 . 2]" 2
224 1 20 VAL HB 1 22 GLY H . . 5.090 5.043 4.883 5.098 0.008 3 0 "[ . 1 . 2]" 2
225 1 24 SER HB3 1 25 LEU H . . 4.680 4.451 3.902 4.663 . 0 0 "[ . 1 . 2]" 2
226 1 24 SER HB2 1 25 LEU H . . 4.680 4.267 2.905 4.623 . 0 0 "[ . 1 . 2]" 2
227 1 17 VAL MG1 1 26 GLU H . . 5.000 4.502 3.887 4.903 . 0 0 "[ . 1 . 2]" 2
228 1 25 LEU H 1 26 GLU H . . 4.680 4.526 4.488 4.647 . 0 0 "[ . 1 . 2]" 2
229 1 26 GLU H 1 27 THR H . . 4.650 4.445 4.339 4.544 . 0 0 "[ . 1 . 2]" 2
230 1 27 THR MG 1 29 SER H . . 4.780 3.952 1.972 4.611 . 0 0 "[ . 1 . 2]" 2
231 1 29 SER H 1 30 MET HG3 . . 4.560 3.573 2.646 4.342 . 0 0 "[ . 1 . 2]" 2
232 1 29 SER H 1 30 MET H . . 4.490 4.159 3.679 4.470 . 0 0 "[ . 1 . 2]" 2
233 1 30 MET HG2 1 31 ILE H . . 4.740 3.974 3.660 4.215 . 0 0 "[ . 1 . 2]" 2
234 1 31 ILE H 1 41 TRP HA . . 4.700 4.331 3.911 4.628 . 0 0 "[ . 1 . 2]" 2
235 1 31 ILE H 1 41 TRP HZ3 . . 5.500 4.885 4.267 5.265 . 0 0 "[ . 1 . 2]" 2
236 1 31 ILE MD 1 32 GLN H . . 5.070 4.798 3.371 5.060 . 0 0 "[ . 1 . 2]" 2
237 1 32 GLN H 1 41 TRP HZ3 . . 5.000 4.319 3.629 4.901 . 0 0 "[ . 1 . 2]" 2
238 1 33 CYS H 1 41 TRP HA . . 4.410 3.889 3.258 4.410 0.000 18 0 "[ . 1 . 2]" 2
239 1 33 CYS H 1 64 PHE QD . . 5.070 4.512 3.626 4.892 . 0 0 "[ . 1 . 2]" 2
240 1 32 GLN H 1 33 CYS H . . 5.500 4.514 4.312 4.600 . 0 0 "[ . 1 . 2]" 2
241 1 33 CYS H 1 39 HIS H . . 5.500 4.674 4.267 5.128 . 0 0 "[ . 1 . 2]" 2
242 1 33 CYS H 1 42 GLN H . . 5.500 5.066 4.422 5.511 0.011 14 0 "[ . 1 . 2]" 2
243 1 33 CYS HB2 1 34 GLU H . . 4.550 4.216 3.912 4.438 . 0 0 "[ . 1 . 2]" 2
244 1 35 ASP HB2 1 37 ARG H . . 5.500 5.273 5.015 5.440 . 0 0 "[ . 1 . 2]" 2
245 1 37 ARG H 1 39 HIS H . . 5.160 4.775 4.541 4.937 . 0 0 "[ . 1 . 2]" 2
246 1 33 CYS H 1 40 VAL H . . 4.830 3.032 2.626 3.651 . 0 0 "[ . 1 . 2]" 2
247 1 17 VAL MG2 1 41 TRP H . . 4.810 4.418 3.853 4.790 . 0 0 "[ . 1 . 2]" 2
248 1 31 ILE MD 1 42 GLN H . . 4.660 4.050 2.495 4.671 0.011 1 0 "[ . 1 . 2]" 2
249 1 42 GLN H 1 42 GLN HG2 . . 4.490 3.661 2.791 4.555 0.065 15 0 "[ . 1 . 2]" 2
250 1 30 MET HG2 1 42 GLN H . . 5.040 4.868 4.509 5.048 0.008 15 0 "[ . 1 . 2]" 2
251 1 41 TRP HB2 1 42 GLN H . . 5.200 4.156 3.817 4.391 . 0 0 "[ . 1 . 2]" 2
252 1 41 TRP HE3 1 42 GLN H . . 4.550 3.820 3.390 4.184 . 0 0 "[ . 1 . 2]" 2
253 1 17 VAL MG1 1 43 HIS H . . 5.160 4.580 3.979 5.167 0.007 2 0 "[ . 1 . 2]" 2
254 1 43 HIS H 1 47 VAL MG1 . . 4.990 4.673 4.182 4.917 . 0 0 "[ . 1 . 2]" 2
255 1 43 HIS H 1 46 CYS HB3 . . 4.930 4.685 4.157 4.938 0.008 18 0 "[ . 1 . 2]" 2
256 1 43 HIS H 1 46 CYS HB2 . . 4.330 3.617 3.151 3.855 . 0 0 "[ . 1 . 2]" 2
257 1 19 CYS HB3 1 43 HIS H . . 4.210 4.168 3.837 4.248 0.038 12 0 "[ . 1 . 2]" 2
258 1 31 ILE H 1 44 VAL H . . 4.720 4.310 3.806 4.637 . 0 0 "[ . 1 . 2]" 2
259 1 43 HIS HD2 1 44 VAL H . . 5.040 4.209 3.975 4.501 . 0 0 "[ . 1 . 2]" 2
260 1 46 CYS H 1 47 VAL MG1 . . 4.910 4.381 4.081 4.842 . 0 0 "[ . 1 . 2]" 2
261 1 46 CYS HB3 1 47 VAL H . . 4.330 3.076 2.511 3.427 . 0 0 "[ . 1 . 2]" 2
262 1 46 CYS HB2 1 47 VAL H . . 4.140 2.624 2.119 2.916 . 0 0 "[ . 1 . 2]" 2
263 1 46 CYS H 1 48 ILE H . . 4.440 3.203 2.874 3.973 . 0 0 "[ . 1 . 2]" 2
264 1 54 MET H 1 55 ASP H . . 4.470 3.509 2.549 4.396 . 0 0 "[ . 1 . 2]" 2
265 1 57 ASN H 1 57 ASN HB2 . . 4.180 3.521 2.674 4.045 . 0 0 "[ . 1 . 2]" 2
266 1 64 PHE QB 1 65 TYR H . . 3.840 3.532 3.278 3.812 . 0 0 "[ . 1 . 2]" 2
267 1 64 PHE H 1 65 TYR H . . 4.720 4.335 4.069 4.544 . 0 0 "[ . 1 . 2]" 2
268 1 65 TYR HB2 1 66 CYS H . . 4.600 4.378 3.892 4.492 . 0 0 "[ . 1 . 2]" 2
269 1 66 CYS H 1 69 CYS HB3 . . 4.570 4.421 4.211 4.558 . 0 0 "[ . 1 . 2]" 2
270 1 33 CYS HB3 1 66 CYS H . . 4.710 4.471 4.285 4.620 . 0 0 "[ . 1 . 2]" 2
271 1 33 CYS HA 1 66 CYS H . . 4.410 3.709 3.355 4.136 . 0 0 "[ . 1 . 2]" 2
272 1 64 PHE QE 1 66 CYS H . . 4.360 3.675 2.632 4.159 . 0 0 "[ . 1 . 2]" 2
273 1 65 TYR QD 1 66 CYS H . . 4.620 3.496 3.303 3.827 . 0 0 "[ . 1 . 2]" 2
274 1 67 GLU H 1 67 GLU HG2 . . 4.170 2.978 2.243 3.398 . 0 0 "[ . 1 . 2]" 2
275 1 20 VAL MG1 1 67 GLU H . . 5.500 3.996 3.396 4.689 . 0 0 "[ . 1 . 2]" 2
276 1 47 VAL MG1 1 67 GLU H . . 5.500 3.991 3.099 4.579 . 0 0 "[ . 1 . 2]" 2
277 1 69 CYS H 1 70 ARG QG . . 4.420 3.808 3.383 4.162 . 0 0 "[ . 1 . 2]" 2
278 1 65 TYR HB2 1 70 ARG H . . 4.650 4.285 3.704 4.627 . 0 0 "[ . 1 . 2]" 2
279 1 68 ILE H 1 70 ARG H . . 4.520 4.013 3.083 4.282 . 0 0 "[ . 1 . 2]" 2
280 1 69 CYS HA 1 71 LEU H . . 4.550 4.012 3.516 4.543 . 0 0 "[ . 1 . 2]" 2
281 1 71 LEU MD1 1 72 THR H . . 4.640 3.167 2.786 3.439 . 0 0 "[ . 1 . 2]" 2
282 1 71 LEU HB3 1 72 THR H . . 4.180 3.695 3.623 4.017 . 0 0 "[ . 1 . 2]" 2
283 1 69 CYS HA 1 72 THR H . . 4.580 3.309 2.981 3.558 . 0 0 "[ . 1 . 2]" 2
284 1 70 ARG HA 1 72 THR H . . 4.450 4.243 3.915 4.434 . 0 0 "[ . 1 . 2]" 2
285 1 68 ILE H 1 68 ILE HB . . 3.180 2.547 2.432 2.757 . 0 0 "[ . 1 . 2]" 2
286 1 10 PRO HA 1 12 GLN H . . 4.430 3.983 3.391 4.466 0.036 3 0 "[ . 1 . 2]" 2
287 1 11 PHE H 1 12 GLN H . . 3.190 2.815 2.447 3.103 . 0 0 "[ . 1 . 2]" 2
288 1 14 GLU H 1 14 GLU HA . . 2.920 2.900 2.854 2.938 0.018 4 0 "[ . 1 . 2]" 2
289 1 15 ILE HB 1 17 VAL H . . 5.500 5.024 4.151 5.503 0.003 13 0 "[ . 1 . 2]" 2
290 1 16 LYS QD 1 17 VAL H . . 5.500 4.775 4.399 5.296 . 0 0 "[ . 1 . 2]" 2
291 1 15 ILE HA 1 17 VAL H . . 5.000 4.304 3.638 4.895 . 0 0 "[ . 1 . 2]" 2
292 1 16 LYS H 1 17 VAL H . . 4.120 2.303 1.801 3.192 . 0 0 "[ . 1 . 2]" 2
293 1 18 ARG H 1 40 VAL HA . . 4.340 4.132 3.623 4.338 . 0 0 "[ . 1 . 2]" 2
294 1 18 ARG H 1 19 CYS HB2 . . 4.920 4.764 4.603 4.931 0.011 5 0 "[ . 1 . 2]" 2
295 1 18 ARG H 1 40 VAL MG1 . . 4.700 3.850 3.227 4.165 . 0 0 "[ . 1 . 2]" 2
296 1 18 ARG HB2 1 19 CYS H . . 4.340 4.311 4.235 4.420 0.080 6 0 "[ . 1 . 2]" 2
297 1 17 VAL HB 1 19 CYS H . . 5.500 4.434 4.164 4.690 . 0 0 "[ . 1 . 2]" 2
298 1 18 ARG HB3 1 19 CYS H . . 5.500 4.248 3.928 4.342 . 0 0 "[ . 1 . 2]" 2
299 1 17 VAL HA 1 19 CYS H . . 3.330 3.257 2.956 3.342 0.012 7 0 "[ . 1 . 2]" 2
300 1 19 CYS HB2 1 23 ASN H . . 5.500 5.177 4.715 5.537 0.037 3 0 "[ . 1 . 2]" 2
301 1 23 ASN HD22 1 25 LEU MD2 . . 5.250 3.064 1.951 4.569 . 0 0 "[ . 1 . 2]" 2
302 1 23 ASN HA 1 25 LEU H . . 4.450 4.127 3.438 4.456 0.006 20 0 "[ . 1 . 2]" 2
303 1 25 LEU H 1 25 LEU HG . . 2.840 2.421 2.145 2.699 . 0 0 "[ . 1 . 2]" 2
304 1 25 LEU H 1 25 LEU MD2 . . 4.050 3.364 3.129 3.607 . 0 0 "[ . 1 . 2]" 2
305 1 25 LEU MD1 1 26 GLU H . . 4.030 2.511 2.145 2.986 . 0 0 "[ . 1 . 2]" 2
306 1 27 THR H 1 28 ASP H . . 4.990 4.457 4.377 4.547 . 0 0 "[ . 1 . 2]" 2
307 1 27 THR H 1 29 SER H . . 4.760 4.411 3.601 4.758 . 0 0 "[ . 1 . 2]" 2
308 1 29 SER H 1 43 HIS HD2 . . 5.500 5.280 4.922 5.507 0.007 14 0 "[ . 1 . 2]" 2
309 1 29 SER HB3 1 30 MET H . . 4.640 3.638 2.732 4.428 . 0 0 "[ . 1 . 2]" 2
310 1 29 SER HB2 1 30 MET H . . 4.640 4.145 2.900 4.594 . 0 0 "[ . 1 . 2]" 2
311 1 31 ILE H 1 41 TRP HB3 . . 5.350 4.580 3.663 5.236 . 0 0 "[ . 1 . 2]" 2
312 1 30 MET H 1 31 ILE H . . 4.520 4.349 4.267 4.411 . 0 0 "[ . 1 . 2]" 2
313 1 32 GLN HB2 1 33 CYS H . . 5.280 4.176 3.898 4.543 . 0 0 "[ . 1 . 2]" 2
314 1 33 CYS H 1 40 VAL MG2 . . 4.540 3.160 2.831 3.677 . 0 0 "[ . 1 . 2]" 2
315 1 32 GLN HB3 1 33 CYS H . . 5.280 3.925 3.556 4.293 . 0 0 "[ . 1 . 2]" 2
316 1 33 CYS H 1 66 CYS H . . 5.500 5.451 5.192 5.507 0.007 13 0 "[ . 1 . 2]" 2
317 1 34 GLU H 1 64 PHE H . . 4.620 3.548 2.839 4.188 . 0 0 "[ . 1 . 2]" 2
318 1 33 CYS H 1 34 GLU H . . 5.500 4.568 4.453 4.646 . 0 0 "[ . 1 . 2]" 2
319 1 34 GLU H 1 66 CYS H . . 5.140 4.579 4.123 4.935 . 0 0 "[ . 1 . 2]" 2
320 1 33 CYS HB3 1 34 GLU H . . 4.810 3.895 3.295 4.216 . 0 0 "[ . 1 . 2]" 2
321 1 36 PRO HG3 1 37 ARG H . . 4.050 3.529 3.486 3.674 . 0 0 "[ . 1 . 2]" 2
322 1 37 ARG HB2 1 38 CYS H . . 4.580 3.268 2.387 4.062 . 0 0 "[ . 1 . 2]" 2
323 1 39 HIS H 1 39 HIS HB2 . . 3.160 3.141 3.085 3.187 0.027 8 0 "[ . 1 . 2]" 2
324 1 35 ASP H 1 39 HIS H . . 4.610 4.472 4.204 4.614 0.004 15 0 "[ . 1 . 2]" 2
325 1 40 VAL H 1 41 TRP H . . 5.090 4.557 4.429 4.625 . 0 0 "[ . 1 . 2]" 2
326 1 40 VAL H 1 40 VAL MG1 . . 3.230 2.394 2.009 2.762 . 0 0 "[ . 1 . 2]" 2
327 1 33 CYS HB3 1 40 VAL H . . 3.710 2.291 1.976 2.762 . 0 0 "[ . 1 . 2]" 2
328 1 15 ILE MG 1 41 TRP H . . 5.500 3.825 3.272 4.405 . 0 0 "[ . 1 . 2]" 2
329 1 41 TRP H 1 41 TRP HE1 . . 5.500 5.034 4.599 5.436 . 0 0 "[ . 1 . 2]" 2
330 1 41 TRP H 1 42 GLN H . . 4.970 4.486 4.308 4.624 . 0 0 "[ . 1 . 2]" 2
331 1 30 MET HB3 1 42 GLN H . . 3.750 3.275 2.740 3.685 . 0 0 "[ . 1 . 2]" 2
332 1 44 VAL H 1 46 CYS H . . 5.170 4.284 3.788 4.555 . 0 0 "[ . 1 . 2]" 2
333 1 43 HIS HA 1 44 VAL H . . 3.290 2.200 2.140 2.298 . 0 0 "[ . 1 . 2]" 2
334 1 44 VAL HA 1 46 CYS H . . 4.000 3.620 3.505 3.861 . 0 0 "[ . 1 . 2]" 2
335 1 44 VAL HB 1 46 CYS H . . 5.500 4.881 4.545 5.246 . 0 0 "[ . 1 . 2]" 2
336 1 43 HIS H 1 47 VAL H . . 5.500 5.329 4.746 5.501 0.001 17 0 "[ . 1 . 2]" 2
337 1 45 GLY H 1 47 VAL H . . 5.500 4.877 4.504 5.252 . 0 0 "[ . 1 . 2]" 2
338 1 44 VAL HA 1 48 ILE H . . 5.030 3.436 2.972 3.830 . 0 0 "[ . 1 . 2]" 2
339 1 48 ILE MD 1 49 LEU H . . 3.760 3.620 3.380 3.823 0.063 8 0 "[ . 1 . 2]" 2
340 1 54 MET H 1 54 MET HB2 . . 4.110 2.742 2.181 3.934 . 0 0 "[ . 1 . 2]" 2
341 1 59 PRO HD3 1 60 LEU H . . 5.500 5.448 5.359 5.497 . 0 0 "[ . 1 . 2]" 2
342 1 59 PRO HD2 1 60 LEU H . . 5.500 5.456 5.329 5.525 0.025 10 0 "[ . 1 . 2]" 2
343 1 63 SER H 1 64 PHE H . . 4.530 4.311 3.831 4.538 0.008 3 0 "[ . 1 . 2]" 2
344 1 61 PRO HA 1 63 SER H . . 4.430 4.103 3.721 4.394 . 0 0 "[ . 1 . 2]" 2
345 1 62 GLU QG 1 63 SER H . . 5.280 3.565 2.113 4.384 . 0 0 "[ . 1 . 2]" 2
346 1 34 GLU HB2 1 64 PHE H . . 5.010 3.147 1.971 4.449 . 0 0 "[ . 1 . 2]" 2
347 1 34 GLU HB3 1 64 PHE H . . 5.010 4.439 3.021 4.984 . 0 0 "[ . 1 . 2]" 2
348 1 65 TYR H 1 66 CYS H . . 4.780 4.248 3.958 4.490 . 0 0 "[ . 1 . 2]" 2
349 1 66 CYS H 1 69 CYS HB2 . . 3.450 2.946 2.785 3.080 . 0 0 "[ . 1 . 2]" 2
350 1 66 CYS H 1 69 CYS H . . 5.500 3.994 3.615 4.247 . 0 0 "[ . 1 . 2]" 2
351 1 66 CYS H 1 70 ARG H . . 5.500 4.570 4.101 4.835 . 0 0 "[ . 1 . 2]" 2
352 1 66 CYS HB2 1 68 ILE H . . 4.950 3.000 2.819 3.301 . 0 0 "[ . 1 . 2]" 2
353 1 68 ILE HG13 1 69 CYS H . . 5.260 4.358 4.144 4.822 . 0 0 "[ . 1 . 2]" 2
354 1 69 CYS H 1 72 THR MG . . 5.500 5.091 4.435 5.381 . 0 0 "[ . 1 . 2]" 2
355 1 68 ILE MG 1 70 ARG H . . 5.500 5.352 5.122 5.510 0.010 20 0 "[ . 1 . 2]" 2
356 1 65 TYR HB3 1 70 ARG H . . 3.990 3.047 2.530 3.444 . 0 0 "[ . 1 . 2]" 2
357 1 71 LEU H 1 71 LEU MD2 . . 3.930 3.348 3.184 3.779 . 0 0 "[ . 1 . 2]" 2
358 1 68 ILE HA 1 71 LEU H . . 4.180 3.997 3.793 4.203 0.023 13 0 "[ . 1 . 2]" 2
359 1 72 THR MG 1 73 SER H . . 5.500 4.157 3.513 4.385 . 0 0 "[ . 1 . 2]" 2
360 1 42 GLN HE21 1 47 VAL MG1 . . 5.500 3.483 1.993 5.032 . 0 0 "[ . 1 . 2]" 2
361 1 42 GLN HE22 1 47 VAL MG1 . . 5.500 3.391 2.126 5.288 . 0 0 "[ . 1 . 2]" 2
362 1 31 ILE MG 1 61 PRO HD3 . . 5.190 4.734 3.266 5.140 . 0 0 "[ . 1 . 2]" 2
363 1 31 ILE MG 1 60 LEU MD2 . . 3.620 2.635 1.905 3.624 0.004 10 0 "[ . 1 . 2]" 2
364 1 31 ILE MG 1 48 ILE MD . . 3.300 3.036 2.561 3.302 0.002 18 0 "[ . 1 . 2]" 2
365 1 31 ILE MG 1 64 PHE QD . . 4.470 4.354 4.147 4.476 0.006 3 0 "[ . 1 . 2]" 2
366 1 31 ILE HA 1 31 ILE MD . . 4.600 4.011 3.428 4.178 . 0 0 "[ . 1 . 2]" 2
367 1 31 ILE MD 1 44 VAL HA . . 4.610 3.094 2.125 4.123 . 0 0 "[ . 1 . 2]" 2
368 1 31 ILE MD 1 47 VAL MG2 . . 3.320 1.999 1.656 2.542 . 0 0 "[ . 1 . 2]" 2
369 1 31 ILE MD 1 48 ILE MD . . 3.650 2.344 1.846 3.579 . 0 0 "[ . 1 . 2]" 2
370 1 31 ILE MD 1 31 ILE MG . . 3.540 2.103 1.905 3.176 . 0 0 "[ . 1 . 2]" 2
371 1 13 PRO QG 1 15 ILE MD . . 4.570 2.758 1.856 4.241 . 0 0 "[ . 1 . 2]" 2
372 1 15 ILE HB 1 15 ILE MD . . 3.630 2.741 2.239 3.225 . 0 0 "[ . 1 . 2]" 2
373 1 70 ARG HB2 1 70 ARG QD . . 3.100 2.421 1.995 2.759 . 0 0 "[ . 1 . 2]" 2
374 1 67 GLU HA 1 70 ARG QD . . 3.750 2.777 1.933 3.745 . 0 0 "[ . 1 . 2]" 2
375 1 68 ILE HA 1 68 ILE MD . . 4.110 3.797 3.323 3.932 . 0 0 "[ . 1 . 2]" 2
376 1 68 ILE HB 1 68 ILE MD . . 3.730 2.242 2.097 2.334 . 0 0 "[ . 1 . 2]" 2
377 1 37 ARG HB3 1 37 ARG HD2 . . 4.140 3.100 2.147 3.939 . 0 0 "[ . 1 . 2]" 2
378 1 37 ARG HB2 1 37 ARG HD3 . . 4.140 3.089 2.186 4.205 0.065 4 0 "[ . 1 . 2]" 2
379 1 70 ARG HB3 1 70 ARG QD . . 3.470 2.828 2.274 3.448 . 0 0 "[ . 1 . 2]" 2
380 1 48 ILE MD 1 61 PRO QG . . 3.940 2.529 1.950 3.151 . 0 0 "[ . 1 . 2]" 2
381 1 48 ILE MD 1 48 ILE MG . . 2.470 1.968 1.888 2.150 . 0 0 "[ . 1 . 2]" 2
382 1 48 ILE MD 1 64 PHE QD . . 3.940 2.914 2.355 3.654 . 0 0 "[ . 1 . 2]" 2
383 1 16 LYS HG2 1 18 ARG HD2 . . 4.480 3.790 1.995 4.536 0.056 12 0 "[ . 1 . 2]" 2
384 1 16 LYS HG3 1 18 ARG HD2 . . 4.480 3.450 2.435 4.237 . 0 0 "[ . 1 . 2]" 2
385 1 16 LYS HG2 1 18 ARG HD3 . . 4.480 3.499 2.345 4.470 . 0 0 "[ . 1 . 2]" 2
386 1 16 LYS HG3 1 18 ARG HD3 . . 4.480 3.523 1.968 4.512 0.032 15 0 "[ . 1 . 2]" 2
387 1 25 LEU HB3 1 25 LEU MD1 . . 3.360 3.123 3.106 3.152 . 0 0 "[ . 1 . 2]" 2
388 1 25 LEU HB2 1 25 LEU MD2 . . 3.420 2.639 2.530 2.703 . 0 0 "[ . 1 . 2]" 2
389 1 25 LEU HB3 1 25 LEU MD2 . . 3.230 2.118 1.988 2.232 . 0 0 "[ . 1 . 2]" 2
390 1 52 LYS QE 1 52 LYS QG . . 3.430 2.185 1.998 2.717 . 0 0 "[ . 1 . 2]" 2
391 1 71 LEU HB3 1 71 LEU MD2 . . 2.970 2.053 1.962 2.269 . 0 0 "[ . 1 . 2]" 2
392 1 71 LEU HB3 1 71 LEU MD1 . . 3.220 3.135 3.113 3.163 . 0 0 "[ . 1 . 2]" 2
393 1 49 LEU H 1 49 LEU HB3 . . 3.660 3.041 2.131 3.628 . 0 0 "[ . 1 . 2]" 2
394 1 31 ILE MG 1 64 PHE QB . . 4.140 3.984 3.596 4.145 0.005 14 0 "[ . 1 . 2]" 2
395 1 51 ASP QB 1 54 MET H . . 3.690 2.954 2.085 3.699 0.009 12 0 "[ . 1 . 2]" 2
396 1 51 ASP HA 1 51 ASP QB . . 2.670 2.368 2.168 2.493 . 0 0 "[ . 1 . 2]" 2
397 1 23 ASN HB2 1 43 HIS HE1 . . 4.330 3.474 2.019 4.323 . 0 0 "[ . 1 . 2]" 2
398 1 57 ASN HB2 1 59 PRO HD3 . . 3.850 3.115 2.230 3.847 . 0 0 "[ . 1 . 2]" 2
399 1 17 VAL MG2 1 26 GLU HG3 . . 4.310 2.779 1.911 4.116 . 0 0 "[ . 1 . 2]" 2
400 1 44 VAL HA 1 44 VAL MG1 . . 3.640 2.426 2.198 2.516 . 0 0 "[ . 1 . 2]" 2
401 1 12 GLN HA 1 12 GLN QG . . 3.580 2.730 2.150 3.339 . 0 0 "[ . 1 . 2]" 2
402 1 63 SER QB 1 65 TYR QE . . 4.870 4.237 3.370 4.733 . 0 0 "[ . 1 . 2]" 2
403 1 52 LYS HB2 1 53 PRO HD3 . . 4.380 2.784 1.943 3.597 . 0 0 "[ . 1 . 2]" 2
404 1 52 LYS HB3 1 53 PRO HD3 . . 4.380 2.043 1.879 2.444 . 0 0 "[ . 1 . 2]" 2
405 1 68 ILE MG 1 69 CYS HA . . 4.170 3.694 3.446 3.841 . 0 0 "[ . 1 . 2]" 2
406 1 17 VAL H 1 17 VAL HB . . 3.870 3.734 3.584 3.808 . 0 0 "[ . 1 . 2]" 2
407 1 17 VAL HB 1 24 SER HA . . 3.190 2.819 2.059 3.197 0.007 18 0 "[ . 1 . 2]" 2
408 1 53 PRO HB2 1 54 MET H . . 4.280 3.152 2.862 3.648 . 0 0 "[ . 1 . 2]" 2
409 1 43 HIS HB2 1 46 CYS HB2 . . 4.300 2.057 1.987 2.349 . 0 0 "[ . 1 . 2]" 2
410 1 46 CYS HB2 1 47 VAL MG1 . . 3.700 3.471 3.344 3.702 0.002 15 0 "[ . 1 . 2]" 2
411 1 30 MET HG2 1 43 HIS HD2 . . 4.380 2.669 2.079 3.297 . 0 0 "[ . 1 . 2]" 2
412 1 30 MET HG3 1 43 HIS HA . . 4.040 3.718 3.421 4.022 . 0 0 "[ . 1 . 2]" 2
413 1 59 PRO HB3 1 60 LEU H . . 4.460 3.292 3.183 3.367 . 0 0 "[ . 1 . 2]" 2
414 1 20 VAL HA 1 20 VAL MG2 . . 3.260 3.196 3.180 3.202 . 0 0 "[ . 1 . 2]" 2
415 1 68 ILE HA 1 71 LEU MD2 . . 3.430 2.016 1.780 3.497 0.067 13 0 "[ . 1 . 2]" 2
416 1 13 PRO HA 1 14 GLU H . . 3.030 2.393 2.163 2.566 . 0 0 "[ . 1 . 2]" 2
417 1 8 GLU HB2 1 8 GLU QG . . 2.720 2.312 2.158 2.464 . 0 0 "[ . 1 . 2]" 2
418 1 14 GLU QB 1 14 GLU HG2 . . 2.770 2.344 2.138 2.442 . 0 0 "[ . 1 . 2]" 2
419 1 8 GLU HB3 1 8 GLU QG . . 2.720 2.309 2.142 2.468 . 0 0 "[ . 1 . 2]" 2
420 1 14 GLU QB 1 14 GLU HG3 . . 2.770 2.272 2.147 2.471 . 0 0 "[ . 1 . 2]" 2
421 1 26 GLU H 1 26 GLU HB2 . . 4.010 2.855 2.268 4.002 . 0 0 "[ . 1 . 2]" 2
422 1 18 ARG HB3 1 18 ARG QG . . 2.750 2.296 2.161 2.487 . 0 0 "[ . 1 . 2]" 2
423 1 37 ARG HB3 1 37 ARG HD3 . . 4.140 2.897 2.151 3.676 . 0 0 "[ . 1 . 2]" 2
424 1 70 ARG HB3 1 70 ARG QG . . 2.620 2.252 2.136 2.380 . 0 0 "[ . 1 . 2]" 2
425 1 33 CYS HA 1 64 PHE QD . . 3.430 2.721 2.022 3.305 . 0 0 "[ . 1 . 2]" 2
426 1 15 ILE HA 1 15 ILE MD . . 4.050 3.137 2.121 3.896 . 0 0 "[ . 1 . 2]" 2
427 1 68 ILE HA 1 68 ILE HG12 . . 3.920 2.931 2.594 3.511 . 0 0 "[ . 1 . 2]" 2
428 1 67 GLU HG3 1 68 ILE HG12 . . 5.500 4.188 3.435 5.504 0.004 7 0 "[ . 1 . 2]" 2
429 1 31 ILE HA 1 31 ILE HG12 . . 4.200 3.708 3.595 4.182 . 0 0 "[ . 1 . 2]" 2
430 1 68 ILE HA 1 68 ILE HG13 . . 3.920 2.710 2.270 2.955 . 0 0 "[ . 1 . 2]" 2
431 1 31 ILE HA 1 31 ILE HG13 . . 4.200 3.820 3.525 4.256 0.056 14 0 "[ . 1 . 2]" 2
432 1 48 ILE HA 1 48 ILE MG . . 3.430 2.313 2.141 2.429 . 0 0 "[ . 1 . 2]" 2
433 1 48 ILE HA 1 48 ILE MD . . 3.490 2.079 1.955 2.362 . 0 0 "[ . 1 . 2]" 2
434 1 57 ASN HA 1 59 PRO QG . . 4.590 4.257 4.019 4.602 0.012 17 0 "[ . 1 . 2]" 2
435 1 58 PRO HA 1 59 PRO QG . . 4.810 3.883 3.826 3.973 . 0 0 "[ . 1 . 2]" 2
436 1 18 ARG QG 1 40 VAL MG1 . . 4.480 2.999 2.424 3.610 . 0 0 "[ . 1 . 2]" 2
437 1 18 ARG HA 1 18 ARG QG . . 3.940 2.464 2.126 2.766 . 0 0 "[ . 1 . 2]" 2
438 1 15 ILE HG12 1 15 ILE MG . . 3.690 2.685 2.150 3.201 . 0 0 "[ . 1 . 2]" 2
439 1 37 ARG HA 1 37 ARG HG2 . . 4.080 3.312 2.352 4.206 0.126 18 0 "[ . 1 . 2]" 2
440 1 34 GLU HA 1 34 GLU HG3 . . 4.200 3.325 2.436 3.735 . 0 0 "[ . 1 . 2]" 2
441 1 70 ARG HA 1 70 ARG QG . . 3.530 3.365 3.274 3.446 . 0 0 "[ . 1 . 2]" 2
442 1 71 LEU HB2 1 71 LEU MD2 . . 2.970 2.649 2.472 2.718 . 0 0 "[ . 1 . 2]" 2
443 1 17 VAL MG2 1 26 GLU HA . . 4.390 3.719 3.226 3.924 . 0 0 "[ . 1 . 2]" 2
444 1 17 VAL MG1 1 26 GLU HA . . 4.700 3.533 3.061 3.952 . 0 0 "[ . 1 . 2]" 2
445 1 14 GLU HA 1 14 GLU HG2 . . 3.810 2.954 2.234 3.776 . 0 0 "[ . 1 . 2]" 2
446 1 14 GLU HA 1 14 GLU HG3 . . 3.810 3.370 2.398 3.823 0.013 6 0 "[ . 1 . 2]" 2
447 1 37 ARG HA 1 37 ARG HG3 . . 4.080 3.638 3.142 4.154 0.074 17 0 "[ . 1 . 2]" 2
448 1 8 GLU HA 1 8 GLU QG . . 3.820 2.667 2.175 3.339 . 0 0 "[ . 1 . 2]" 2
449 1 25 LEU HA 1 25 LEU MD1 . . 4.040 3.483 3.270 3.617 . 0 0 "[ . 1 . 2]" 2
450 1 25 LEU MD1 1 26 GLU HA . . 4.290 2.927 2.466 3.341 . 0 0 "[ . 1 . 2]" 2
451 1 25 LEU HB2 1 25 LEU MD1 . . 3.430 2.087 2.000 2.167 . 0 0 "[ . 1 . 2]" 2
452 1 44 VAL HA 1 44 VAL MG2 . . 3.640 2.326 2.207 3.136 . 0 0 "[ . 1 . 2]" 2
453 1 31 ILE MD 1 44 VAL MG2 . . 4.750 3.406 1.910 4.727 . 0 0 "[ . 1 . 2]" 2
454 1 65 TYR HA 1 65 TYR QD . . 3.910 2.300 2.032 2.800 . 0 0 "[ . 1 . 2]" 2
455 1 33 CYS HA 1 65 TYR HA . . 4.150 3.501 3.018 4.036 . 0 0 "[ . 1 . 2]" 2
456 1 71 LEU HA 1 71 LEU MD1 . . 3.410 3.312 3.190 3.533 0.123 13 0 "[ . 1 . 2]" 2
457 1 71 LEU HB2 1 71 LEU MD1 . . 3.220 2.155 2.069 2.228 . 0 0 "[ . 1 . 2]" 2
458 1 30 MET HA 1 43 HIS HA . . 3.720 3.075 2.493 3.569 . 0 0 "[ . 1 . 2]" 2
459 1 30 MET HA 1 30 MET HG3 . . 3.830 3.134 2.893 3.317 . 0 0 "[ . 1 . 2]" 2
460 1 47 VAL HA 1 47 VAL MG1 . . 3.500 2.282 2.171 2.400 . 0 0 "[ . 1 . 2]" 2
461 1 46 CYS HB3 1 47 VAL MG1 . . 4.220 2.990 2.762 3.440 . 0 0 "[ . 1 . 2]" 2
462 1 40 VAL HA 1 40 VAL MG1 . . 3.520 2.387 2.239 2.537 . 0 0 "[ . 1 . 2]" 2
463 1 18 ARG HD3 1 40 VAL MG1 . . 5.150 3.719 1.944 4.855 . 0 0 "[ . 1 . 2]" 2
464 1 18 ARG HB3 1 40 VAL MG1 . . 3.560 3.335 2.692 3.566 0.006 13 0 "[ . 1 . 2]" 2
465 1 16 LYS QD 1 40 VAL MG1 . . 4.320 3.657 2.684 4.320 . 0 0 "[ . 1 . 2]" 2
466 1 16 LYS HG2 1 40 VAL MG1 . . 4.120 2.247 1.938 2.776 . 0 0 "[ . 1 . 2]" 2
467 1 16 LYS HG3 1 40 VAL MG1 . . 4.120 3.627 3.149 4.108 . 0 0 "[ . 1 . 2]" 2
468 1 20 VAL H 1 20 VAL MG1 . . 3.660 2.447 2.128 2.758 . 0 0 "[ . 1 . 2]" 2
469 1 20 VAL HA 1 20 VAL MG1 . . 3.390 2.303 2.179 2.394 . 0 0 "[ . 1 . 2]" 2
470 1 20 VAL MG1 1 67 GLU HB2 . . 4.320 3.709 3.220 4.243 . 0 0 "[ . 1 . 2]" 2
471 1 17 VAL MG2 1 18 ARG H . . 4.380 4.315 4.249 4.354 . 0 0 "[ . 1 . 2]" 2
472 1 17 VAL HA 1 17 VAL MG2 . . 3.400 2.500 2.389 2.602 . 0 0 "[ . 1 . 2]" 2
473 1 17 VAL MG2 1 41 TRP HB2 . . 3.790 2.999 2.598 3.464 . 0 0 "[ . 1 . 2]" 2
474 1 17 VAL MG2 1 26 GLU HG2 . . 4.310 3.035 2.206 4.321 0.011 14 0 "[ . 1 . 2]" 2
475 1 17 VAL MG2 1 26 GLU HB3 . . 5.480 3.959 2.013 4.988 . 0 0 "[ . 1 . 2]" 2
476 1 72 THR HA 1 72 THR MG . . 2.940 2.375 2.153 3.165 0.225 13 0 "[ . 1 . 2]" 2
477 1 71 LEU MD1 1 72 THR MG . . 3.440 2.127 1.806 3.322 . 0 0 "[ . 1 . 2]" 2
478 1 27 THR MG 1 43 HIS HD2 . . 3.690 2.404 1.887 3.579 . 0 0 "[ . 1 . 2]" 2
479 1 26 GLU HA 1 27 THR MG . . 3.830 3.608 3.171 3.834 0.004 8 0 "[ . 1 . 2]" 2
480 1 32 GLN HA 1 41 TRP HA . . 3.630 2.611 2.239 3.138 . 0 0 "[ . 1 . 2]" 2
481 1 32 GLN HA 1 32 GLN HG3 . . 4.130 2.467 2.227 3.103 . 0 0 "[ . 1 . 2]" 2
482 1 12 GLN HA 1 13 PRO HD2 . . 4.000 2.224 1.915 2.498 . 0 0 "[ . 1 . 2]" 2
483 1 12 GLN HA 1 13 PRO HD3 . . 4.000 2.307 2.252 2.459 . 0 0 "[ . 1 . 2]" 2
484 1 17 VAL MG1 1 18 ARG H . . 4.130 4.032 3.927 4.162 0.032 11 0 "[ . 1 . 2]" 2
485 1 17 VAL H 1 17 VAL MG1 . . 4.210 3.949 3.788 4.002 . 0 0 "[ . 1 . 2]" 2
486 1 17 VAL HA 1 17 VAL MG1 . . 3.300 2.257 2.049 2.344 . 0 0 "[ . 1 . 2]" 2
487 1 17 VAL MG1 1 24 SER HA . . 3.280 2.159 1.887 2.688 . 0 0 "[ . 1 . 2]" 2
488 1 17 VAL MG1 1 25 LEU HA . . 4.590 3.808 3.201 4.328 . 0 0 "[ . 1 . 2]" 2
489 1 57 ASN HA 1 58 PRO QD . . 4.410 4.008 3.977 4.025 . 0 0 "[ . 1 . 2]" 2
490 1 57 ASN HA 1 59 PRO HD2 . . 4.610 3.599 3.366 3.923 . 0 0 "[ . 1 . 2]" 2
491 1 19 CYS HA 1 20 VAL MG2 . . 4.810 4.004 3.841 4.235 . 0 0 "[ . 1 . 2]" 2
492 1 20 VAL MG2 1 21 CYS HA . . 4.960 3.171 2.955 3.494 . 0 0 "[ . 1 . 2]" 2
493 1 20 VAL MG2 1 46 CYS HB2 . . 4.670 4.353 4.032 4.606 . 0 0 "[ . 1 . 2]" 2
494 1 35 ASP HA 1 36 PRO HD3 . . 3.240 2.252 2.251 2.261 . 0 0 "[ . 1 . 2]" 2
495 1 35 ASP HA 1 36 PRO HD2 . . 3.650 2.165 2.092 2.199 . 0 0 "[ . 1 . 2]" 2
496 1 9 ASP HA 1 10 PRO HD2 . . 2.890 2.347 2.198 2.540 . 0 0 "[ . 1 . 2]" 2
497 1 9 ASP HB2 1 10 PRO HD2 . . 4.860 3.549 2.345 3.827 . 0 0 "[ . 1 . 2]" 2
498 1 9 ASP HA 1 10 PRO HD3 . . 2.890 2.288 2.251 2.363 . 0 0 "[ . 1 . 2]" 2
499 1 9 ASP HB2 1 10 PRO HD3 . . 4.860 4.631 3.714 4.828 . 0 0 "[ . 1 . 2]" 2
500 1 52 LYS HB3 1 53 PRO HD2 . . 4.380 2.938 2.448 3.430 . 0 0 "[ . 1 . 2]" 2
501 1 57 ASN HA 1 59 PRO HD3 . . 3.320 2.547 2.272 2.984 . 0 0 "[ . 1 . 2]" 2
502 1 58 PRO HA 1 59 PRO HD3 . . 3.480 2.271 2.261 2.288 . 0 0 "[ . 1 . 2]" 2
503 1 57 ASN HB3 1 59 PRO HD3 . . 3.850 2.849 2.132 3.720 . 0 0 "[ . 1 . 2]" 2
504 1 60 LEU HB3 1 61 PRO HD2 . . 4.850 2.759 2.021 3.568 . 0 0 "[ . 1 . 2]" 2
505 1 60 LEU HB3 1 61 PRO HD3 . . 4.850 3.952 3.464 4.501 . 0 0 "[ . 1 . 2]" 2
506 1 33 CYS HB2 1 40 VAL MG2 . . 4.050 2.036 1.894 2.353 . 0 0 "[ . 1 . 2]" 2
507 1 18 ARG HB3 1 40 VAL MG2 . . 3.880 3.594 2.740 3.914 0.034 15 0 "[ . 1 . 2]" 2
508 1 47 VAL MG2 1 64 PHE QE . . 3.870 2.530 1.951 2.975 . 0 0 "[ . 1 . 2]" 2
509 1 44 VAL HA 1 47 VAL MG2 . . 3.920 3.223 2.500 3.636 . 0 0 "[ . 1 . 2]" 2
510 1 42 GLN HB2 1 47 VAL MG2 . . 3.660 2.895 2.566 3.499 . 0 0 "[ . 1 . 2]" 2
511 1 42 GLN HB3 1 47 VAL MG2 . . 3.660 2.835 1.995 3.605 . 0 0 "[ . 1 . 2]" 2
512 1 47 VAL MG2 1 64 PHE HZ . . 3.870 2.346 1.969 2.908 . 0 0 "[ . 1 . 2]" 2
513 1 74 GLY QA 1 75 PRO QD . . 2.880 1.930 1.843 2.095 . 0 0 "[ . 1 . 2]" 2
514 1 68 ILE H 1 68 ILE MG . . 4.070 3.783 3.751 3.900 . 0 0 "[ . 1 . 2]" 2
515 1 68 ILE HA 1 68 ILE MG . . 3.220 2.351 2.261 2.455 . 0 0 "[ . 1 . 2]" 2
516 1 15 ILE MG 1 41 TRP HE1 . . 3.970 3.504 2.300 3.960 . 0 0 "[ . 1 . 2]" 2
517 1 15 ILE MG 1 41 TRP HD1 . . 4.010 2.432 1.987 2.922 . 0 0 "[ . 1 . 2]" 2
518 1 15 ILE HA 1 15 ILE MG . . 3.550 2.348 2.064 2.482 . 0 0 "[ . 1 . 2]" 2
519 1 15 ILE HG13 1 15 ILE MG . . 3.690 2.859 2.340 3.202 . 0 0 "[ . 1 . 2]" 2
520 1 15 ILE MG 1 17 VAL MG2 . . 3.340 1.804 1.663 1.942 . 0 0 "[ . 1 . 2]" 2
521 1 11 PHE QB 1 12 GLN QG . . 5.250 4.625 3.239 5.312 0.062 2 0 "[ . 1 . 2]" 2
522 1 11 PHE HA 1 11 PHE QD . . 4.470 2.793 2.035 3.678 . 0 0 "[ . 1 . 2]" 2
523 1 15 ILE MD 1 41 TRP HB2 . . 5.500 4.551 3.072 5.512 0.012 17 0 "[ . 1 . 2]" 2
524 1 15 ILE MG 1 41 TRP HB2 . . 4.990 2.471 1.901 2.972 . 0 0 "[ . 1 . 2]" 2
525 1 17 VAL MG1 1 41 TRP HB2 . . 5.170 4.133 3.506 4.813 . 0 0 "[ . 1 . 2]" 2
526 1 17 VAL MG1 1 24 SER HB2 . . 5.500 4.347 3.574 5.162 . 0 0 "[ . 1 . 2]" 2
527 1 17 VAL MG2 1 27 THR H . . 5.500 5.345 4.956 5.529 0.029 12 0 "[ . 1 . 2]" 2
528 1 18 ARG HB2 1 40 VAL MG1 . . 3.810 2.575 2.158 2.865 . 0 0 "[ . 1 . 2]" 2
529 1 18 ARG HB2 1 40 VAL MG2 . . 3.800 3.372 2.792 3.820 0.020 20 0 "[ . 1 . 2]" 2
530 1 18 ARG HB2 1 40 VAL HB . . 4.580 2.263 1.997 2.845 . 0 0 "[ . 1 . 2]" 2
531 1 18 ARG HA 1 18 ARG HD2 . . 4.980 2.889 1.970 4.646 . 0 0 "[ . 1 . 2]" 2
532 1 18 ARG HA 1 18 ARG HD3 . . 4.980 3.744 2.692 4.521 . 0 0 "[ . 1 . 2]" 2
533 1 18 ARG HD2 1 40 VAL MG1 . . 5.150 4.386 2.274 5.151 0.001 16 0 "[ . 1 . 2]" 2
534 1 17 VAL MG1 1 19 CYS HB3 . . 4.320 3.709 3.086 4.266 . 0 0 "[ . 1 . 2]" 2
535 1 19 CYS HB3 1 42 GLN HA . . 4.440 4.314 3.822 4.456 0.016 3 0 "[ . 1 . 2]" 2
536 1 19 CYS HB3 1 21 CYS H . . 4.180 3.217 2.794 3.591 . 0 0 "[ . 1 . 2]" 2
537 1 17 VAL MG1 1 19 CYS HB2 . . 4.070 3.148 2.598 3.516 . 0 0 "[ . 1 . 2]" 2
538 1 19 CYS HB2 1 42 GLN HA . . 3.930 2.705 2.091 3.062 . 0 0 "[ . 1 . 2]" 2
539 1 19 CYS HB2 1 21 CYS H . . 4.900 4.635 4.136 4.905 0.005 7 0 "[ . 1 . 2]" 2
540 1 19 CYS HB2 1 20 VAL H . . 5.400 3.909 3.730 4.146 . 0 0 "[ . 1 . 2]" 2
541 1 20 VAL MG1 1 42 GLN HE22 . . 4.780 3.210 2.357 4.796 0.016 15 0 "[ . 1 . 2]" 2
542 1 20 VAL MG1 1 42 GLN HE21 . . 4.780 3.973 2.876 4.784 0.004 4 0 "[ . 1 . 2]" 2
543 1 19 CYS HA 1 20 VAL MG1 . . 4.240 3.710 3.539 3.922 . 0 0 "[ . 1 . 2]" 2
544 1 20 VAL MG2 1 21 CYS HB2 . . 5.060 4.441 4.134 4.756 . 0 0 "[ . 1 . 2]" 2
545 1 23 ASN HB3 1 43 HIS HE1 . . 4.330 3.161 2.229 4.253 . 0 0 "[ . 1 . 2]" 2
546 1 70 ARG QG 1 71 LEU HA . . 4.740 3.412 2.931 4.151 . 0 0 "[ . 1 . 2]" 2
547 1 23 ASN HD21 1 25 LEU MD2 . . 5.250 2.465 1.706 4.170 . 0 0 "[ . 1 . 2]" 2
548 1 17 VAL MG2 1 26 GLU HB2 . . 5.480 4.364 3.017 4.989 . 0 0 "[ . 1 . 2]" 2
549 1 26 GLU HG2 1 27 THR H . . 5.330 4.559 3.805 5.332 0.002 9 0 "[ . 1 . 2]" 2
550 1 26 GLU HG3 1 27 THR H . . 5.330 4.633 4.186 5.139 . 0 0 "[ . 1 . 2]" 2
551 1 27 THR MG 1 28 ASP H . . 4.240 3.538 3.305 3.801 . 0 0 "[ . 1 . 2]" 2
552 1 30 MET HA 1 31 ILE MD . . 5.200 4.596 2.728 5.162 . 0 0 "[ . 1 . 2]" 2
553 1 30 MET HA 1 44 VAL HB . . 5.070 4.295 3.821 5.067 . 0 0 "[ . 1 . 2]" 2
554 1 30 MET HA 1 41 TRP HE3 . . 4.760 4.269 3.841 4.757 . 0 0 "[ . 1 . 2]" 2
555 1 29 SER HA 1 30 MET HB2 . . 4.950 4.512 4.148 4.968 0.018 14 0 "[ . 1 . 2]" 2
556 1 30 MET HB2 1 43 HIS HA . . 5.440 4.870 4.589 5.195 . 0 0 "[ . 1 . 2]" 2
557 1 30 MET HG3 1 31 ILE H . . 5.500 4.884 4.628 5.056 . 0 0 "[ . 1 . 2]" 2
558 1 30 MET H 1 30 MET HG3 . . 4.360 3.544 3.050 4.039 . 0 0 "[ . 1 . 2]" 2
559 1 31 ILE HA 1 41 TRP HZ3 . . 5.340 3.977 3.426 4.635 . 0 0 "[ . 1 . 2]" 2
560 1 31 ILE HG13 1 64 PHE QD . . 5.100 3.423 2.467 4.954 . 0 0 "[ . 1 . 2]" 2
561 1 31 ILE HG12 1 64 PHE QD . . 5.100 4.471 2.719 5.112 0.012 15 0 "[ . 1 . 2]" 2
562 1 31 ILE MD 1 42 GLN HB3 . . 4.850 3.784 3.095 4.286 . 0 0 "[ . 1 . 2]" 2
563 1 31 ILE MD 1 64 PHE QD . . 4.050 2.993 2.301 4.039 . 0 0 "[ . 1 . 2]" 2
564 1 31 ILE MG 1 61 PRO HD2 . . 5.190 3.367 2.356 3.838 . 0 0 "[ . 1 . 2]" 2
565 1 31 ILE MG 1 48 ILE HB . . 4.900 4.757 4.431 4.907 0.007 13 0 "[ . 1 . 2]" 2
566 1 32 GLN HG2 1 39 HIS HA . . 4.690 2.555 2.005 4.205 . 0 0 "[ . 1 . 2]" 2
567 1 32 GLN HA 1 32 GLN HG2 . . 4.130 3.130 2.800 3.875 . 0 0 "[ . 1 . 2]" 2
568 1 33 CYS HB3 1 40 VAL MG2 . . 4.190 2.823 2.406 3.167 . 0 0 "[ . 1 . 2]" 2
569 1 33 CYS HB3 1 65 TYR QD . . 5.250 4.977 4.748 5.175 . 0 0 "[ . 1 . 2]" 2
570 1 33 CYS HB3 1 39 HIS H . . 4.880 2.726 2.431 2.915 . 0 0 "[ . 1 . 2]" 2
571 1 33 CYS HB2 1 40 VAL MG1 . . 4.320 4.076 3.829 4.318 . 0 0 "[ . 1 . 2]" 2
572 1 33 CYS HB2 1 64 PHE QE . . 5.500 4.229 2.923 5.101 . 0 0 "[ . 1 . 2]" 2
573 1 33 CYS HB2 1 65 TYR QD . . 5.500 5.134 4.823 5.390 . 0 0 "[ . 1 . 2]" 2
574 1 33 CYS HB2 1 66 CYS H . . 4.460 3.408 3.127 3.731 . 0 0 "[ . 1 . 2]" 2
575 1 34 GLU HB3 1 63 SER QB . . 5.270 4.566 3.871 5.225 . 0 0 "[ . 1 . 2]" 2
576 1 34 GLU HA 1 34 GLU HG2 . . 4.200 2.866 2.212 3.840 . 0 0 "[ . 1 . 2]" 2
577 1 34 GLU H 1 34 GLU HG3 . . 4.640 4.114 2.967 4.659 0.019 6 0 "[ . 1 . 2]" 2
578 1 35 ASP HB3 1 38 CYS HB2 . . 3.940 2.140 1.987 2.706 . 0 0 "[ . 1 . 2]" 2
579 1 35 ASP H 1 35 ASP HB3 . . 3.760 3.021 2.648 3.557 . 0 0 "[ . 1 . 2]" 2
580 1 35 ASP HB2 1 69 CYS HB2 . . 5.110 4.781 4.259 5.117 0.007 12 0 "[ . 1 . 2]" 2
581 1 35 ASP HB2 1 38 CYS H . . 5.500 4.114 3.514 4.322 . 0 0 "[ . 1 . 2]" 2
582 1 35 ASP H 1 35 ASP HB2 . . 3.890 2.228 2.119 2.426 . 0 0 "[ . 1 . 2]" 2
583 1 36 PRO HA 1 39 HIS HD2 . . 4.250 3.909 3.482 4.154 . 0 0 "[ . 1 . 2]" 2
584 1 36 PRO HA 1 38 CYS H . . 5.080 4.541 3.966 4.941 . 0 0 "[ . 1 . 2]" 2
585 1 59 PRO QG 1 60 LEU H . . 4.040 3.912 3.692 4.043 0.003 10 0 "[ . 1 . 2]" 2
586 1 36 PRO HD3 1 37 ARG H . . 4.950 3.880 3.846 3.896 . 0 0 "[ . 1 . 2]" 2
587 1 35 ASP HB2 1 36 PRO HD3 . . 5.200 4.786 4.592 5.027 . 0 0 "[ . 1 . 2]" 2
588 1 36 PRO HD2 1 65 TYR QE . . 5.500 5.021 4.515 5.442 . 0 0 "[ . 1 . 2]" 2
589 1 60 LEU HA 1 60 LEU HG . . 4.250 3.323 2.834 3.710 . 0 0 "[ . 1 . 2]" 2
590 1 35 ASP HB3 1 38 CYS HB3 . . 3.940 2.206 1.971 3.241 . 0 0 "[ . 1 . 2]" 2
591 1 32 GLN HE21 1 39 HIS HB3 . . 4.330 2.443 2.067 3.162 . 0 0 "[ . 1 . 2]" 2
592 1 32 GLN HE22 1 39 HIS HB3 . . 4.330 3.142 2.321 3.606 . 0 0 "[ . 1 . 2]" 2
593 1 40 VAL MG1 1 41 TRP HD1 . . 5.430 5.203 4.710 5.417 . 0 0 "[ . 1 . 2]" 2
594 1 41 TRP HA 1 41 TRP HE3 . . 5.500 3.363 3.005 3.877 . 0 0 "[ . 1 . 2]" 2
595 1 15 ILE MG 1 41 TRP HB3 . . 5.500 3.302 2.681 3.805 . 0 0 "[ . 1 . 2]" 2
596 1 17 VAL MG2 1 41 TRP HB3 . . 4.490 3.964 3.488 4.474 . 0 0 "[ . 1 . 2]" 2
597 1 30 MET HB2 1 41 TRP HB3 . . 4.270 3.763 3.034 4.261 . 0 0 "[ . 1 . 2]" 2
598 1 30 MET HB3 1 41 TRP HB3 . . 4.300 2.850 2.157 3.568 . 0 0 "[ . 1 . 2]" 2
599 1 17 VAL HA 1 41 TRP HB3 . . 4.570 3.887 3.415 4.459 . 0 0 "[ . 1 . 2]" 2
600 1 17 VAL HA 1 41 TRP HB2 . . 4.080 2.753 2.178 3.275 . 0 0 "[ . 1 . 2]" 2
601 1 31 ILE MD 1 42 GLN HB2 . . 4.850 2.867 1.968 3.367 . 0 0 "[ . 1 . 2]" 2
602 1 43 HIS HB3 1 46 CYS HB2 . . 4.300 3.325 3.007 3.730 . 0 0 "[ . 1 . 2]" 2
603 1 44 VAL HA 1 48 ILE HG13 . . 4.270 3.056 2.796 3.412 . 0 0 "[ . 1 . 2]" 2
604 1 44 VAL HA 1 47 VAL H . . 4.890 4.015 3.596 4.317 . 0 0 "[ . 1 . 2]" 2
605 1 44 VAL MG1 1 45 GLY H . . 5.390 3.422 2.900 4.107 . 0 0 "[ . 1 . 2]" 2
606 1 31 ILE MD 1 44 VAL MG1 . . 4.750 3.920 2.783 4.759 0.009 3 0 "[ . 1 . 2]" 2
607 1 44 VAL MG2 1 45 GLY H . . 5.390 3.804 1.887 4.093 . 0 0 "[ . 1 . 2]" 2
608 1 20 VAL MG2 1 46 CYS HA . . 5.320 4.657 4.172 4.981 . 0 0 "[ . 1 . 2]" 2
609 1 46 CYS HA 1 47 VAL MG1 . . 5.500 4.605 4.341 4.995 . 0 0 "[ . 1 . 2]" 2
610 1 20 VAL MG2 1 46 CYS HB3 . . 3.500 3.028 2.689 3.308 . 0 0 "[ . 1 . 2]" 2
611 1 47 VAL HB 1 64 PHE HZ . . 4.660 3.002 2.007 4.057 . 0 0 "[ . 1 . 2]" 2
612 1 31 ILE MD 1 47 VAL MG1 . . 5.500 3.744 3.301 4.193 . 0 0 "[ . 1 . 2]" 2
613 1 47 VAL MG1 1 64 PHE HZ . . 4.240 2.736 2.102 3.255 . 0 0 "[ . 1 . 2]" 2
614 1 44 VAL HA 1 48 ILE HB . . 5.140 3.281 2.548 3.727 . 0 0 "[ . 1 . 2]" 2
615 1 48 ILE H 1 48 ILE MD . . 4.770 3.205 3.014 3.436 . 0 0 "[ . 1 . 2]" 2
616 1 51 ASP QB 1 52 LYS H . . 4.100 3.577 1.888 3.911 . 0 0 "[ . 1 . 2]" 2
617 1 57 ASN HB2 1 58 PRO QD . . 5.500 4.077 3.773 4.337 . 0 0 "[ . 1 . 2]" 2
618 1 57 ASN HB2 1 59 PRO HD2 . . 5.500 4.043 3.187 4.972 . 0 0 "[ . 1 . 2]" 2
619 1 57 ASN HB3 1 58 PRO QD . . 5.500 5.035 4.100 5.400 . 0 0 "[ . 1 . 2]" 2
620 1 57 ASN HB3 1 59 PRO HD2 . . 5.500 4.233 3.056 5.248 . 0 0 "[ . 1 . 2]" 2
621 1 60 LEU HB2 1 61 PRO HD3 . . 4.850 4.134 3.420 4.823 . 0 0 "[ . 1 . 2]" 2
622 1 60 LEU HB2 1 61 PRO HD2 . . 4.850 2.904 1.971 3.839 . 0 0 "[ . 1 . 2]" 2
623 1 61 PRO HB2 1 62 GLU H . . 4.360 3.589 3.049 3.986 . 0 0 "[ . 1 . 2]" 2
624 1 62 GLU H 1 62 GLU QG . . 4.200 3.189 1.916 4.033 . 0 0 "[ . 1 . 2]" 2
625 1 34 GLU HB2 1 63 SER QB . . 5.270 3.968 3.038 4.988 . 0 0 "[ . 1 . 2]" 2
626 1 65 TYR H 1 65 TYR HB3 . . 4.020 3.695 3.587 3.853 . 0 0 "[ . 1 . 2]" 2
627 1 65 TYR H 1 65 TYR HB2 . . 3.870 2.552 2.378 2.785 . 0 0 "[ . 1 . 2]" 2
628 1 64 PHE QE 1 66 CYS HA . . 4.180 2.779 2.299 3.380 . 0 0 "[ . 1 . 2]" 2
629 1 40 VAL MG2 1 66 CYS HB2 . . 4.410 3.078 2.687 3.510 . 0 0 "[ . 1 . 2]" 2
630 1 42 GLN HE22 1 66 CYS HB2 . . 4.470 2.837 1.903 3.986 . 0 0 "[ . 1 . 2]" 2
631 1 42 GLN HE21 1 66 CYS HB2 . . 4.470 3.013 1.910 3.679 . 0 0 "[ . 1 . 2]" 2
632 1 40 VAL MG2 1 66 CYS HB3 . . 4.270 2.463 2.091 2.882 . 0 0 "[ . 1 . 2]" 2
633 1 33 CYS HB3 1 66 CYS HB3 . . 4.940 4.555 4.212 4.924 . 0 0 "[ . 1 . 2]" 2
634 1 67 GLU HA 1 70 ARG HB2 . . 4.610 4.494 4.303 4.799 0.189 15 0 "[ . 1 . 2]" 2
635 1 67 GLU HA 1 70 ARG H . . 4.630 3.536 3.240 3.782 . 0 0 "[ . 1 . 2]" 2
636 1 68 ILE HA 1 71 LEU HG . . 4.400 3.570 3.061 4.353 . 0 0 "[ . 1 . 2]" 2
637 1 69 CYS HB3 1 70 ARG H . . 3.970 3.398 3.122 3.983 0.013 13 0 "[ . 1 . 2]" 2
638 1 65 TYR HB2 1 69 CYS HB2 . . 5.340 4.088 3.871 4.344 . 0 0 "[ . 1 . 2]" 2
639 1 65 TYR HB2 1 70 ARG HA . . 4.370 3.985 3.357 4.372 0.002 14 0 "[ . 1 . 2]" 2
640 1 65 TYR HB3 1 70 ARG HA . . 4.410 3.559 3.111 3.943 . 0 0 "[ . 1 . 2]" 2
641 1 70 ARG HA 1 70 ARG QD . . 4.810 4.105 3.605 4.516 . 0 0 "[ . 1 . 2]" 2
642 1 70 ARG HB2 1 71 LEU H . . 5.260 4.009 3.752 4.401 . 0 0 "[ . 1 . 2]" 2
643 1 70 ARG HB3 1 71 LEU H . . 5.280 3.916 3.644 4.141 . 0 0 "[ . 1 . 2]" 2
644 1 70 ARG H 1 70 ARG QD . . 4.580 4.005 3.653 4.454 . 0 0 "[ . 1 . 2]" 2
645 1 35 ASP HB2 1 65 TYR QD . . 3.660 3.207 2.711 3.498 . 0 0 "[ . 1 . 2]" 2
646 1 65 TYR QD 1 69 CYS HB2 . . 3.750 2.856 2.341 3.227 . 0 0 "[ . 1 . 2]" 2
647 1 65 TYR QD 1 69 CYS HB3 . . 4.090 2.638 2.141 2.975 . 0 0 "[ . 1 . 2]" 2
648 1 35 ASP HB3 1 65 TYR QD . . 4.670 4.527 4.171 4.671 0.001 2 0 "[ . 1 . 2]" 2
649 1 35 ASP H 1 65 TYR QD . . 4.010 3.034 2.699 3.414 . 0 0 "[ . 1 . 2]" 2
650 1 34 GLU H 1 65 TYR QD . . 4.060 3.715 3.309 4.013 . 0 0 "[ . 1 . 2]" 2
651 1 35 ASP HB2 1 65 TYR QE . . 4.030 2.563 2.021 3.160 . 0 0 "[ . 1 . 2]" 2
652 1 35 ASP HB3 1 65 TYR QE . . 4.850 4.080 3.623 4.562 . 0 0 "[ . 1 . 2]" 2
653 1 35 ASP HA 1 65 TYR QE . . 3.870 3.214 2.701 3.656 . 0 0 "[ . 1 . 2]" 2
654 1 35 ASP H 1 65 TYR QE . . 4.700 2.252 1.930 2.613 . 0 0 "[ . 1 . 2]" 2
655 1 17 VAL MG1 1 43 HIS HD2 . . 5.500 4.856 4.244 5.374 . 0 0 "[ . 1 . 2]" 2
656 1 30 MET HG3 1 43 HIS HD2 . . 3.960 3.415 2.990 3.943 . 0 0 "[ . 1 . 2]" 2
657 1 26 GLU HA 1 43 HIS HD2 . . 4.680 3.819 3.212 4.639 . 0 0 "[ . 1 . 2]" 2
658 1 27 THR HG1 1 43 HIS HD2 . . 5.390 3.258 2.008 5.386 . 0 0 "[ . 1 . 2]" 2
659 1 34 GLU HA 1 39 HIS HD2 . . 4.490 4.201 3.720 4.499 0.009 1 0 "[ . 1 . 2]" 2
660 1 39 HIS HA 1 39 HIS HD2 . . 3.900 2.119 2.082 2.196 . 0 0 "[ . 1 . 2]" 2
661 1 15 ILE HB 1 41 TRP HD1 . . 5.010 4.710 4.401 5.009 . 0 0 "[ . 1 . 2]" 2
662 1 15 ILE HA 1 41 TRP HD1 . . 4.270 2.489 2.000 3.776 . 0 0 "[ . 1 . 2]" 2
663 1 40 VAL HA 1 41 TRP HD1 . . 4.370 3.459 2.906 3.883 . 0 0 "[ . 1 . 2]" 2
664 1 41 TRP H 1 41 TRP HD1 . . 3.940 2.698 2.121 3.189 . 0 0 "[ . 1 . 2]" 2
665 1 30 MET HB2 1 41 TRP HE3 . . 3.620 2.301 1.996 2.763 . 0 0 "[ . 1 . 2]" 2
666 1 30 MET HB3 1 41 TRP HE3 . . 3.610 2.149 1.996 2.912 . 0 0 "[ . 1 . 2]" 2
667 1 41 TRP HB3 1 41 TRP HE3 . . 4.210 2.525 2.407 2.632 . 0 0 "[ . 1 . 2]" 2
668 1 15 ILE MD 1 41 TRP HZ2 . . 5.110 4.016 2.878 4.951 . 0 0 "[ . 1 . 2]" 2
669 1 30 MET HB3 1 41 TRP HZ3 . . 4.730 3.968 3.645 4.558 . 0 0 "[ . 1 . 2]" 2
670 1 49 LEU H 1 50 PRO QD . . 4.870 4.135 1.844 4.374 . 0 0 "[ . 1 . 2]" 2
671 1 9 ASP HB3 1 10 PRO HD2 . . 4.860 2.249 1.991 3.804 . 0 0 "[ . 1 . 2]" 2
672 1 9 ASP HB3 1 10 PRO HD3 . . 4.860 3.635 3.351 4.698 . 0 0 "[ . 1 . 2]" 2
673 1 10 PRO HA 1 11 PHE QB . . 5.150 4.951 4.105 5.210 0.060 1 0 "[ . 1 . 2]" 2
674 1 62 GLU HA 1 62 GLU QG . . 3.330 2.687 2.321 3.397 0.067 6 0 "[ . 1 . 2]" 2
675 1 15 ILE MD 1 41 TRP HD1 . . 4.960 4.153 2.834 4.930 . 0 0 "[ . 1 . 2]" 2
676 1 16 LYS HB3 1 40 VAL HA . . 3.830 2.457 1.979 2.934 . 0 0 "[ . 1 . 2]" 2
677 1 16 LYS HB2 1 40 VAL HA . . 3.830 3.486 2.791 3.851 0.021 12 0 "[ . 1 . 2]" 2
678 1 16 LYS HA 1 16 LYS QD . . 4.520 2.452 1.980 3.234 . 0 0 "[ . 1 . 2]" 2
679 1 17 VAL MG1 1 41 TRP HB3 . . 5.500 4.672 4.019 5.489 . 0 0 "[ . 1 . 2]" 2
680 1 17 VAL MG1 1 25 LEU HG . . 4.950 3.899 3.449 4.101 . 0 0 "[ . 1 . 2]" 2
681 1 17 VAL MG2 1 26 GLU H . . 5.000 4.472 4.043 4.828 . 0 0 "[ . 1 . 2]" 2
682 1 16 LYS H 1 17 VAL MG2 . . 4.470 3.322 3.041 3.549 . 0 0 "[ . 1 . 2]" 2
683 1 16 LYS HG2 1 18 ARG HB2 . . 3.530 2.773 2.050 3.364 . 0 0 "[ . 1 . 2]" 2
684 1 16 LYS HG3 1 18 ARG HB2 . . 3.530 2.987 2.085 3.552 0.022 9 0 "[ . 1 . 2]" 2
685 1 19 CYS HB3 1 23 ASN H . . 5.500 3.715 3.316 4.116 . 0 0 "[ . 1 . 2]" 2
686 1 19 CYS HB3 1 20 VAL MG2 . . 5.360 4.193 3.926 4.337 . 0 0 "[ . 1 . 2]" 2
687 1 20 VAL MG1 1 67 GLU HB3 . . 4.320 3.032 2.350 3.779 . 0 0 "[ . 1 . 2]" 2
688 1 20 VAL MG2 1 21 CYS HB3 . . 5.060 3.743 3.234 4.855 . 0 0 "[ . 1 . 2]" 2
689 1 17 VAL MG2 1 24 SER HB3 . . 5.500 4.796 3.692 5.460 . 0 0 "[ . 1 . 2]" 2
690 1 17 VAL MG1 1 24 SER HB3 . . 5.500 4.137 3.302 4.804 . 0 0 "[ . 1 . 2]" 2
691 1 17 VAL MG2 1 24 SER HB2 . . 5.500 4.979 3.819 5.518 0.018 12 0 "[ . 1 . 2]" 2
692 1 17 VAL MG2 1 25 LEU HA . . 4.490 4.088 3.652 4.453 . 0 0 "[ . 1 . 2]" 2
693 1 25 LEU HA 1 25 LEU MD2 . . 4.250 4.100 4.056 4.137 . 0 0 "[ . 1 . 2]" 2
694 1 23 ASN HD22 1 25 LEU MD1 . . 5.500 4.962 3.127 5.509 0.009 12 0 "[ . 1 . 2]" 2
695 1 23 ASN HD21 1 25 LEU MD1 . . 5.500 4.276 3.182 5.225 . 0 0 "[ . 1 . 2]" 2
696 1 15 ILE MG 1 26 GLU HB3 . . 5.500 3.931 2.837 5.075 . 0 0 "[ . 1 . 2]" 2
697 1 15 ILE MD 1 26 GLU HB3 . . 5.500 4.236 3.072 4.981 . 0 0 "[ . 1 . 2]" 2
698 1 15 ILE MG 1 26 GLU HB2 . . 5.500 4.477 2.968 5.363 . 0 0 "[ . 1 . 2]" 2
699 1 15 ILE MD 1 26 GLU HB2 . . 5.500 4.693 3.379 5.505 0.005 18 0 "[ . 1 . 2]" 2
700 1 30 MET HG2 1 44 VAL H . . 4.940 3.335 2.552 4.049 . 0 0 "[ . 1 . 2]" 2
701 1 29 SER H 1 30 MET HG2 . . 5.500 4.629 4.062 4.958 . 0 0 "[ . 1 . 2]" 2
702 1 30 MET HG2 1 41 TRP HE3 . . 4.890 4.512 4.241 4.782 . 0 0 "[ . 1 . 2]" 2
703 1 26 GLU HA 1 30 MET HG2 . . 5.500 4.719 4.156 5.385 . 0 0 "[ . 1 . 2]" 2
704 1 30 MET HG3 1 41 TRP HE3 . . 4.800 4.445 3.968 4.778 . 0 0 "[ . 1 . 2]" 2
705 1 30 MET HG3 1 44 VAL H . . 4.960 4.471 4.022 4.818 . 0 0 "[ . 1 . 2]" 2
706 1 15 ILE MG 1 30 MET ME . . 3.450 3.183 2.487 3.437 . 0 0 "[ . 1 . 2]" 2
707 1 17 VAL MG2 1 30 MET ME . . 3.380 2.699 2.333 3.040 . 0 0 "[ . 1 . 2]" 2
708 1 17 VAL MG1 1 30 MET ME . . 3.650 2.539 1.920 3.209 . 0 0 "[ . 1 . 2]" 2
709 1 30 MET HB2 1 30 MET ME . . 4.070 3.343 2.741 3.750 . 0 0 "[ . 1 . 2]" 2
710 1 30 MET HB3 1 30 MET ME . . 3.350 2.628 2.031 3.404 0.054 11 0 "[ . 1 . 2]" 2
711 1 30 MET ME 1 30 MET HG3 . . 3.790 3.029 2.062 3.385 . 0 0 "[ . 1 . 2]" 2
712 1 30 MET ME 1 30 MET HG2 . . 3.840 2.535 2.140 3.344 . 0 0 "[ . 1 . 2]" 2
713 1 30 MET ME 1 41 TRP HB2 . . 4.140 2.752 2.388 3.240 . 0 0 "[ . 1 . 2]" 2
714 1 30 MET ME 1 41 TRP HB3 . . 4.030 2.197 1.836 2.598 . 0 0 "[ . 1 . 2]" 2
715 1 26 GLU HA 1 30 MET ME . . 3.890 2.649 1.861 3.141 . 0 0 "[ . 1 . 2]" 2
716 1 17 VAL HA 1 30 MET ME . . 4.460 3.044 2.693 3.481 . 0 0 "[ . 1 . 2]" 2
717 1 30 MET ME 1 42 GLN HA . . 4.860 3.460 2.680 4.655 . 0 0 "[ . 1 . 2]" 2
718 1 30 MET HA 1 30 MET ME . . 5.500 4.018 3.466 4.675 . 0 0 "[ . 1 . 2]" 2
719 1 30 MET ME 1 41 TRP HE3 . . 4.110 3.565 2.811 4.040 . 0 0 "[ . 1 . 2]" 2
720 1 30 MET ME 1 43 HIS HD2 . . 4.140 2.768 2.329 3.222 . 0 0 "[ . 1 . 2]" 2
721 1 18 ARG H 1 30 MET ME . . 5.500 5.128 4.761 5.516 0.016 5 0 "[ . 1 . 2]" 2
722 1 30 MET H 1 30 MET ME . . 5.500 5.351 4.922 5.511 0.011 15 0 "[ . 1 . 2]" 2
723 1 26 GLU H 1 30 MET ME . . 5.500 4.949 4.214 5.506 0.006 12 0 "[ . 1 . 2]" 2
724 1 30 MET ME 1 44 VAL H . . 5.500 4.925 4.320 5.518 0.018 5 0 "[ . 1 . 2]" 2
725 1 30 MET ME 1 42 GLN H . . 5.500 3.590 2.872 4.826 . 0 0 "[ . 1 . 2]" 2
726 1 19 CYS H 1 30 MET ME . . 5.500 4.895 4.360 5.517 0.017 8 0 "[ . 1 . 2]" 2
727 1 30 MET ME 1 31 ILE H . . 5.500 4.309 3.704 5.498 . 0 0 "[ . 1 . 2]" 2
728 1 30 MET ME 1 43 HIS H . . 5.500 3.291 2.745 4.318 . 0 0 "[ . 1 . 2]" 2
729 1 31 ILE MD 1 44 VAL H . . 5.500 4.850 3.061 5.512 0.012 5 0 "[ . 1 . 2]" 2
730 1 31 ILE MG 1 48 ILE H . . 5.500 5.263 4.984 5.497 . 0 0 "[ . 1 . 2]" 2
731 1 31 ILE MG 1 60 LEU MD1 . . 3.620 2.790 1.955 3.403 . 0 0 "[ . 1 . 2]" 2
732 1 32 GLN HG3 1 39 HIS HA . . 4.690 3.157 2.633 3.818 . 0 0 "[ . 1 . 2]" 2
733 1 14 GLU QB 1 15 ILE HA . . 5.170 4.462 4.258 4.918 . 0 0 "[ . 1 . 2]" 2
734 1 33 CYS HB2 1 66 CYS HB2 . . 5.070 4.711 4.363 5.083 0.013 15 0 "[ . 1 . 2]" 2
735 1 33 CYS HB2 1 66 CYS HA . . 5.500 5.042 4.571 5.501 0.001 15 0 "[ . 1 . 2]" 2
736 1 32 GLN HA 1 33 CYS HB2 . . 4.510 4.383 4.290 4.503 . 0 0 "[ . 1 . 2]" 2
737 1 33 CYS HB3 1 40 VAL MG1 . . 4.470 4.015 3.575 4.275 . 0 0 "[ . 1 . 2]" 2
738 1 33 CYS HB3 1 39 HIS HA . . 5.110 2.920 2.556 3.429 . 0 0 "[ . 1 . 2]" 2
739 1 34 GLU HG3 1 35 ASP H . . 5.270 4.640 3.674 5.174 . 0 0 "[ . 1 . 2]" 2
740 1 34 GLU HG2 1 35 ASP H . . 5.270 4.577 3.681 4.964 . 0 0 "[ . 1 . 2]" 2
741 1 35 ASP HB2 1 36 PRO HD2 . . 4.230 3.926 3.682 4.194 . 0 0 "[ . 1 . 2]" 2
742 1 35 ASP HB3 1 36 PRO HD2 . . 3.960 3.629 2.839 3.978 0.018 14 0 "[ . 1 . 2]" 2
743 1 35 ASP HB3 1 36 PRO HA . . 5.500 5.077 4.880 5.296 . 0 0 "[ . 1 . 2]" 2
744 1 36 PRO HA 1 39 HIS HB3 . . 5.500 5.405 5.201 5.512 0.012 15 0 "[ . 1 . 2]" 2
745 1 36 PRO HA 1 37 ARG HA . . 5.450 4.756 4.725 4.795 . 0 0 "[ . 1 . 2]" 2
746 1 37 ARG HB2 1 37 ARG HD2 . . 4.140 3.061 2.358 3.833 . 0 0 "[ . 1 . 2]" 2
747 1 16 LYS QE 1 40 VAL MG1 . . 5.500 3.795 2.212 5.170 . 0 0 "[ . 1 . 2]" 2
748 1 17 VAL MG1 1 42 GLN HA . . 5.030 4.399 3.901 5.050 0.020 15 0 "[ . 1 . 2]" 2
749 1 44 VAL HB 1 45 GLY H . . 4.490 2.699 2.298 3.215 . 0 0 "[ . 1 . 2]" 2
750 1 46 CYS HB3 1 47 VAL MG2 . . 5.500 4.188 3.958 4.379 . 0 0 "[ . 1 . 2]" 2
751 1 47 VAL HB 1 64 PHE QE . . 4.830 2.961 2.029 3.848 . 0 0 "[ . 1 . 2]" 2
752 1 31 ILE MG 1 47 VAL MG2 . . 5.500 4.046 3.548 4.641 . 0 0 "[ . 1 . 2]" 2
753 1 46 CYS HB2 1 47 VAL MG2 . . 5.500 3.709 3.439 3.868 . 0 0 "[ . 1 . 2]" 2
754 1 47 VAL MG1 1 64 PHE QE . . 4.930 3.449 2.335 4.063 . 0 0 "[ . 1 . 2]" 2
755 1 47 VAL MG1 1 48 ILE H . . 4.340 3.885 3.770 4.065 . 0 0 "[ . 1 . 2]" 2
756 1 42 GLN HA 1 47 VAL MG1 . . 4.690 4.557 4.166 4.705 0.015 15 0 "[ . 1 . 2]" 2
757 1 47 VAL MG1 1 66 CYS HA . . 4.470 3.737 3.007 4.303 . 0 0 "[ . 1 . 2]" 2
758 1 48 ILE HB 1 49 LEU H . . 4.290 4.032 3.575 4.415 0.125 8 0 "[ . 1 . 2]" 2
759 1 48 ILE HB 1 48 ILE MD . . 3.140 3.214 3.197 3.217 0.077 7 0 "[ . 1 . 2]" 2
760 1 44 VAL HA 1 48 ILE HG12 . . 4.270 2.797 2.487 3.191 . 0 0 "[ . 1 . 2]" 2
761 1 48 ILE MD 1 60 LEU HA . . 5.060 4.602 3.806 5.081 0.021 12 0 "[ . 1 . 2]" 2
762 1 52 LYS HB2 1 53 PRO HD2 . . 4.380 3.149 2.158 3.964 . 0 0 "[ . 1 . 2]" 2
763 1 52 LYS QG 1 53 PRO HD3 . . 4.570 3.414 1.977 4.137 . 0 0 "[ . 1 . 2]" 2
764 1 52 LYS QG 1 53 PRO HD2 . . 4.570 4.083 3.254 4.653 0.083 19 0 "[ . 1 . 2]" 2
765 1 52 LYS HA 1 52 LYS QG . . 3.560 2.423 2.129 2.806 . 0 0 "[ . 1 . 2]" 2
766 1 59 PRO HA 1 60 LEU HG . . 5.080 4.471 3.832 5.084 0.004 10 0 "[ . 1 . 2]" 2
767 1 64 PHE HA 1 64 PHE QD . . 3.410 2.906 2.305 3.325 . 0 0 "[ . 1 . 2]" 2
768 1 65 TYR HB3 1 70 ARG QG . . 5.220 4.777 4.336 5.229 0.009 17 0 "[ . 1 . 2]" 2
769 1 65 TYR HB3 1 70 ARG HB3 . . 4.970 3.415 3.013 3.711 . 0 0 "[ . 1 . 2]" 2
770 1 65 TYR HB3 1 70 ARG HB2 . . 5.350 4.732 4.365 5.205 . 0 0 "[ . 1 . 2]" 2
771 1 40 VAL MG2 1 66 CYS HA . . 5.500 4.422 4.023 4.910 . 0 0 "[ . 1 . 2]" 2
772 1 64 PHE HZ 1 66 CYS HA . . 4.720 2.776 2.235 3.446 . 0 0 "[ . 1 . 2]" 2
773 1 66 CYS HA 1 68 ILE H . . 5.210 4.273 4.050 4.423 . 0 0 "[ . 1 . 2]" 2
774 1 64 PHE QE 1 66 CYS HB3 . . 5.000 3.378 2.515 3.996 . 0 0 "[ . 1 . 2]" 2
775 1 66 CYS HA 1 67 GLU HA . . 5.050 4.318 4.301 4.333 . 0 0 "[ . 1 . 2]" 2
776 1 67 GLU HA 1 70 ARG HB3 . . 3.900 3.548 3.081 3.883 . 0 0 "[ . 1 . 2]" 2
777 1 67 GLU HA 1 70 ARG QG . . 3.680 1.937 1.793 2.084 . 0 0 "[ . 1 . 2]" 2
778 1 67 GLU HG3 1 68 ILE HG13 . . 5.500 2.780 2.057 4.149 . 0 0 "[ . 1 . 2]" 2
779 1 67 GLU HG2 1 68 ILE HG13 . . 5.500 3.284 2.022 4.213 . 0 0 "[ . 1 . 2]" 2
780 1 68 ILE HG12 1 69 CYS H . . 5.260 5.215 5.125 5.361 0.101 15 0 "[ . 1 . 2]" 2
781 1 67 GLU HG2 1 68 ILE HG12 . . 5.500 4.617 3.188 5.509 0.009 15 0 "[ . 1 . 2]" 2
782 1 18 ARG HB2 1 68 ILE MD . . 4.100 3.978 3.662 4.112 0.012 12 0 "[ . 1 . 2]" 2
783 1 69 CYS HA 1 72 THR MG . . 5.500 3.361 2.485 3.817 . 0 0 "[ . 1 . 2]" 2
784 1 69 CYS HB2 1 70 ARG H . . 3.680 2.696 2.413 3.144 . 0 0 "[ . 1 . 2]" 2
785 1 65 TYR HB3 1 69 CYS HB3 . . 3.190 2.603 2.069 3.185 . 0 0 "[ . 1 . 2]" 2
786 1 35 ASP HB2 1 69 CYS HB3 . . 4.460 4.248 3.793 4.456 . 0 0 "[ . 1 . 2]" 2
787 1 65 TYR HB3 1 69 CYS HB2 . . 3.070 2.364 2.149 2.613 . 0 0 "[ . 1 . 2]" 2
788 1 65 TYR HB2 1 70 ARG HB3 . . 4.800 3.609 3.121 3.925 . 0 0 "[ . 1 . 2]" 2
789 1 71 LEU H 1 72 THR MG . . 5.500 4.172 3.733 4.602 . 0 0 "[ . 1 . 2]" 2
790 1 71 LEU HB2 1 72 THR MG . . 4.690 4.427 2.994 4.658 . 0 0 "[ . 1 . 2]" 2
791 1 71 LEU HB3 1 72 THR MG . . 4.690 4.452 4.271 4.624 . 0 0 "[ . 1 . 2]" 2
792 1 17 VAL MG1 1 43 HIS HE1 . . 4.320 3.544 2.998 4.226 . 0 0 "[ . 1 . 2]" 2
793 1 25 LEU HG 1 43 HIS HE1 . . 4.760 2.725 2.250 4.216 . 0 0 "[ . 1 . 2]" 2
794 1 30 MET ME 1 43 HIS HE1 . . 4.590 4.283 3.703 4.606 0.016 3 0 "[ . 1 . 2]" 2
795 1 19 CYS HB2 1 43 HIS HE1 . . 4.710 4.340 3.834 4.714 0.004 10 0 "[ . 1 . 2]" 2
796 1 19 CYS HB3 1 43 HIS HE1 . . 4.590 4.101 3.703 4.548 . 0 0 "[ . 1 . 2]" 2
797 1 25 LEU H 1 43 HIS HE1 . . 5.080 3.652 2.504 5.114 0.034 14 0 "[ . 1 . 2]" 2
798 1 36 PRO HA 1 39 HIS HE1 . . 4.940 2.901 2.650 3.298 . 0 0 "[ . 1 . 2]" 2
799 1 8 GLU H 1 8 GLU QB . . 3.450 2.449 2.165 3.336 . 0 0 "[ . 1 . 2]" 2
800 1 8 GLU QB 1 8 GLU QG . . 2.340 2.046 1.975 2.086 . 0 0 "[ . 1 . 2]" 2
801 1 9 ASP H 1 9 ASP QB . . 3.440 2.516 2.170 2.872 . 0 0 "[ . 1 . 2]" 2
802 1 9 ASP QB 1 10 PRO QD . . 3.270 2.138 1.956 2.355 . 0 0 "[ . 1 . 2]" 2
803 1 9 ASP QB 1 11 PHE H . . 5.180 2.506 2.223 3.310 . 0 0 "[ . 1 . 2]" 2
804 1 9 ASP QB 1 12 GLN H . . 4.840 4.110 2.234 4.723 . 0 0 "[ . 1 . 2]" 2
805 1 10 PRO QB 1 11 PHE H . . 3.850 3.595 2.773 3.786 . 0 0 "[ . 1 . 2]" 2
806 1 10 PRO QB 1 11 PHE QD . . 4.500 3.746 2.452 4.589 0.089 11 0 "[ . 1 . 2]" 2
807 1 10 PRO QG 1 11 PHE H . . 3.780 3.081 1.868 3.428 . 0 0 "[ . 1 . 2]" 2
808 1 10 PRO QD 1 11 PHE H . . 3.580 2.910 2.605 3.059 . 0 0 "[ . 1 . 2]" 2
809 1 12 GLN H 1 12 GLN QB . . 3.180 2.498 2.163 2.944 . 0 0 "[ . 1 . 2]" 2
810 1 12 GLN H 1 13 PRO QD . . 4.780 4.238 3.665 4.378 . 0 0 "[ . 1 . 2]" 2
811 1 12 GLN HA 1 13 PRO QD . . 3.130 2.000 1.851 2.148 . 0 0 "[ . 1 . 2]" 2
812 1 12 GLN QB 1 13 PRO QD . . 3.470 2.487 1.969 3.476 0.006 9 0 "[ . 1 . 2]" 2
813 1 12 GLN QG 1 13 PRO QD . . 4.220 3.372 2.298 3.998 . 0 0 "[ . 1 . 2]" 2
814 1 13 PRO QB 1 14 GLU H . . 3.950 2.606 2.193 3.576 . 0 0 "[ . 1 . 2]" 2
815 1 13 PRO QB 1 15 ILE QG . . 3.820 2.468 1.975 3.732 . 0 0 "[ . 1 . 2]" 2
816 1 13 PRO QG 1 15 ILE QG . . 3.610 2.543 1.874 3.437 . 0 0 "[ . 1 . 2]" 2
817 1 14 GLU H 1 14 GLU QG . . 3.140 2.638 1.853 3.128 . 0 0 "[ . 1 . 2]" 2
818 1 14 GLU QB 1 14 GLU QG . . 2.390 2.043 1.963 2.086 . 0 0 "[ . 1 . 2]" 2
819 1 15 ILE H 1 15 ILE QG . . 3.140 2.266 1.887 2.875 . 0 0 "[ . 1 . 2]" 2
820 1 15 ILE HA 1 15 ILE QG . . 3.130 2.658 2.336 3.111 . 0 0 "[ . 1 . 2]" 2
821 1 15 ILE HA 1 16 LYS QB . . 5.150 4.021 3.954 4.112 . 0 0 "[ . 1 . 2]" 2
822 1 15 ILE HB 1 26 GLU QG . . 5.340 3.784 2.415 4.965 . 0 0 "[ . 1 . 2]" 2
823 1 15 ILE QG 1 15 ILE MG . . 3.070 2.295 2.117 2.485 . 0 0 "[ . 1 . 2]" 2
824 1 15 ILE MG 1 26 GLU QG . . 3.800 2.488 1.901 3.438 . 0 0 "[ . 1 . 2]" 2
825 1 15 ILE QG 1 17 VAL MG2 . . 4.790 4.108 3.556 4.435 . 0 0 "[ . 1 . 2]" 2
826 1 15 ILE QG 1 41 TRP HE1 . . 5.070 3.585 2.465 5.043 . 0 0 "[ . 1 . 2]" 2
827 1 15 ILE MD 1 26 GLU QG . . 4.600 3.104 2.030 4.356 . 0 0 "[ . 1 . 2]" 2
828 1 16 LYS H 1 16 LYS QG . . 4.460 4.007 3.919 4.089 . 0 0 "[ . 1 . 2]" 2
829 1 16 LYS HA 1 16 LYS QG . . 3.730 2.859 2.699 3.004 . 0 0 "[ . 1 . 2]" 2
830 1 16 LYS QB 1 16 LYS QD . . 3.490 2.275 2.048 2.750 . 0 0 "[ . 1 . 2]" 2
831 1 16 LYS QB 1 17 VAL H . . 3.280 2.412 1.869 2.966 . 0 0 "[ . 1 . 2]" 2
832 1 16 LYS QB 1 17 VAL MG2 . . 5.070 4.174 3.779 4.568 . 0 0 "[ . 1 . 2]" 2
833 1 16 LYS QB 1 40 VAL MG1 . . 3.540 2.924 2.035 3.532 . 0 0 "[ . 1 . 2]" 2
834 1 16 LYS QE 1 16 LYS QG . . 3.150 2.226 2.056 2.549 . 0 0 "[ . 1 . 2]" 2
835 1 16 LYS QG 1 17 VAL H . . 4.530 3.326 2.884 3.962 . 0 0 "[ . 1 . 2]" 2
836 1 16 LYS QG 1 18 ARG HA . . 3.760 3.538 3.339 3.828 0.068 11 0 "[ . 1 . 2]" 2
837 1 16 LYS QG 1 18 ARG HB2 . . 3.090 2.524 1.874 3.010 . 0 0 "[ . 1 . 2]" 2
838 1 16 LYS QG 1 18 ARG QG . . 2.950 2.278 1.714 3.074 0.124 20 0 "[ . 1 . 2]" 2
839 1 16 LYS QG 1 18 ARG QD . . 3.330 2.581 1.890 3.365 0.035 15 0 "[ . 1 . 2]" 2
840 1 16 LYS QG 1 40 VAL MG1 . . 3.420 2.225 1.925 2.728 . 0 0 "[ . 1 . 2]" 2
841 1 17 VAL HB 1 24 SER QB . . 5.250 3.857 2.650 4.908 . 0 0 "[ . 1 . 2]" 2
842 1 17 VAL MG1 1 23 ASN QB . . 5.330 3.959 3.188 4.386 . 0 0 "[ . 1 . 2]" 2
843 1 17 VAL MG1 1 24 SER QB . . 4.710 3.735 3.181 4.338 . 0 0 "[ . 1 . 2]" 2
844 1 17 VAL MG2 1 26 GLU QB . . 4.720 3.621 1.985 4.402 . 0 0 "[ . 1 . 2]" 2
845 1 17 VAL MG2 1 26 GLU QG . . 3.610 2.458 1.885 3.523 . 0 0 "[ . 1 . 2]" 2
846 1 18 ARG HA 1 18 ARG QD . . 4.290 2.686 1.946 4.076 . 0 0 "[ . 1 . 2]" 2
847 1 18 ARG HB2 1 18 ARG QD . . 3.640 2.769 2.222 3.514 . 0 0 "[ . 1 . 2]" 2
848 1 18 ARG HB3 1 18 ARG QD . . 3.560 2.950 2.314 3.390 . 0 0 "[ . 1 . 2]" 2
849 1 18 ARG QD 1 40 VAL MG1 . . 4.440 3.473 1.929 4.428 . 0 0 "[ . 1 . 2]" 2
850 1 18 ARG QD 1 68 ILE MD . . 5.100 3.979 2.764 5.118 0.018 17 0 "[ . 1 . 2]" 2
851 1 19 CYS HA 1 42 GLN QB . . 4.750 3.533 2.744 4.271 . 0 0 "[ . 1 . 2]" 2
852 1 20 VAL MG1 1 42 GLN QE . . 4.090 3.016 2.255 3.442 . 0 0 "[ . 1 . 2]" 2
853 1 20 VAL MG1 1 67 GLU QG . . 3.060 2.234 1.828 2.802 . 0 0 "[ . 1 . 2]" 2
854 1 20 VAL MG2 1 21 CYS QB . . 4.380 3.462 3.158 3.972 . 0 0 "[ . 1 . 2]" 2
855 1 21 CYS H 1 21 CYS QB . . 3.490 2.483 2.345 2.653 . 0 0 "[ . 1 . 2]" 2
856 1 21 CYS QB 1 23 ASN H . . 3.780 3.333 2.694 3.790 0.010 15 0 "[ . 1 . 2]" 2
857 1 23 ASN H 1 23 ASN QB . . 3.010 2.416 2.180 2.981 . 0 0 "[ . 1 . 2]" 2
858 1 23 ASN H 1 23 ASN QD . . 5.050 4.378 2.917 4.754 . 0 0 "[ . 1 . 2]" 2
859 1 23 ASN QB 1 25 LEU H . . 4.380 2.682 2.466 3.063 . 0 0 "[ . 1 . 2]" 2
860 1 23 ASN QB 1 43 HIS HE1 . . 3.700 2.797 1.978 3.715 0.015 2 0 "[ . 1 . 2]" 2
861 1 23 ASN QD 1 25 LEU H . . 4.980 3.430 1.784 4.786 . 0 0 "[ . 1 . 2]" 2
862 1 23 ASN QD 1 25 LEU HB3 . . 4.430 3.406 1.850 4.431 0.001 2 0 "[ . 1 . 2]" 2
863 1 24 SER QB 1 25 LEU H . . 4.070 3.858 2.830 4.040 . 0 0 "[ . 1 . 2]" 2
864 1 25 LEU HA 1 26 GLU QB . . 4.750 4.370 4.104 4.493 . 0 0 "[ . 1 . 2]" 2
865 1 26 GLU H 1 26 GLU QB . . 3.230 2.669 2.241 3.232 0.002 14 0 "[ . 1 . 2]" 2
866 1 26 GLU H 1 26 GLU QG . . 3.710 2.996 2.075 3.528 . 0 0 "[ . 1 . 2]" 2
867 1 26 GLU HA 1 26 GLU QG . . 3.460 2.661 2.340 3.449 . 0 0 "[ . 1 . 2]" 2
868 1 26 GLU QB 1 27 THR H . . 3.400 2.802 2.556 3.052 . 0 0 "[ . 1 . 2]" 2
869 1 26 GLU QB 1 30 MET ME . . 4.200 3.454 1.860 4.201 0.001 7 0 "[ . 1 . 2]" 2
870 1 26 GLU QG 1 27 THR H . . 4.680 4.040 3.592 4.492 . 0 0 "[ . 1 . 2]" 2
871 1 26 GLU QG 1 30 MET ME . . 3.720 3.269 2.216 3.697 . 0 0 "[ . 1 . 2]" 2
872 1 28 ASP H 1 28 ASP QB . . 3.260 2.343 2.173 2.832 . 0 0 "[ . 1 . 2]" 2
873 1 28 ASP QB 1 29 SER H . . 4.360 3.123 2.493 4.028 . 0 0 "[ . 1 . 2]" 2
874 1 29 SER H 1 29 SER QB . . 3.240 2.682 2.211 3.149 . 0 0 "[ . 1 . 2]" 2
875 1 29 SER HA 1 44 VAL QG . . 4.420 3.631 2.792 4.450 0.030 18 0 "[ . 1 . 2]" 2
876 1 29 SER QB 1 30 MET H . . 3.830 3.332 2.689 3.867 0.037 3 0 "[ . 1 . 2]" 2
877 1 29 SER QB 1 44 VAL H . . 5.060 4.125 3.088 4.924 . 0 0 "[ . 1 . 2]" 2
878 1 29 SER QB 1 44 VAL HB . . 4.090 3.303 2.058 4.108 0.018 5 0 "[ . 1 . 2]" 2
879 1 29 SER QB 1 44 VAL QG . . 3.490 2.457 1.956 3.340 . 0 0 "[ . 1 . 2]" 2
880 1 30 MET H 1 44 VAL QG . . 4.200 3.135 2.649 3.823 . 0 0 "[ . 1 . 2]" 2
881 1 30 MET HA 1 44 VAL QG . . 3.740 2.198 1.796 2.546 . 0 0 "[ . 1 . 2]" 2
882 1 30 MET HB3 1 44 VAL QG . . 5.440 4.232 3.696 4.574 . 0 0 "[ . 1 . 2]" 2
883 1 30 MET HG2 1 43 HIS QB . . 5.340 4.096 3.861 4.376 . 0 0 "[ . 1 . 2]" 2
884 1 30 MET HG3 1 44 VAL QG . . 5.440 4.303 3.941 4.742 . 0 0 "[ . 1 . 2]" 2
885 1 31 ILE H 1 31 ILE QG . . 4.220 2.197 1.904 3.178 . 0 0 "[ . 1 . 2]" 2
886 1 31 ILE H 1 44 VAL QG . . 4.010 3.093 2.417 3.403 . 0 0 "[ . 1 . 2]" 2
887 1 31 ILE HA 1 31 ILE QG . . 3.530 3.334 3.297 3.482 . 0 0 "[ . 1 . 2]" 2
888 1 31 ILE HA 1 44 VAL QG . . 4.800 4.111 3.888 4.388 . 0 0 "[ . 1 . 2]" 2
889 1 31 ILE MG 1 44 VAL QG . . 4.740 2.067 1.726 2.403 . 0 0 "[ . 1 . 2]" 2
890 1 31 ILE MG 1 60 LEU QB . . 4.430 2.874 1.985 3.719 . 0 0 "[ . 1 . 2]" 2
891 1 31 ILE MG 1 60 LEU QD . . 3.040 2.325 1.830 2.953 . 0 0 "[ . 1 . 2]" 2
892 1 31 ILE MG 1 61 PRO QD . . 4.410 3.299 2.305 3.737 . 0 0 "[ . 1 . 2]" 2
893 1 31 ILE QG 1 32 GLN H . . 4.270 4.056 3.696 4.306 0.036 3 0 "[ . 1 . 2]" 2
894 1 31 ILE QG 1 44 VAL QG . . 3.550 3.172 2.365 3.602 0.052 18 0 "[ . 1 . 2]" 2
895 1 31 ILE QG 1 47 VAL MG2 . . 3.980 3.073 2.664 3.291 . 0 0 "[ . 1 . 2]" 2
896 1 31 ILE QG 1 64 PHE QB . . 4.490 4.125 2.881 4.483 . 0 0 "[ . 1 . 2]" 2
897 1 31 ILE QG 1 64 PHE QD . . 4.330 3.271 2.291 3.869 . 0 0 "[ . 1 . 2]" 2
898 1 31 ILE MD 1 42 GLN QB . . 4.060 2.774 1.952 3.161 . 0 0 "[ . 1 . 2]" 2
899 1 31 ILE MD 1 44 VAL QG . . 3.740 3.109 1.900 3.759 0.019 15 0 "[ . 1 . 2]" 2
900 1 31 ILE MD 1 48 ILE QG . . 4.730 2.150 1.841 2.862 . 0 0 "[ . 1 . 2]" 2
901 1 32 GLN HA 1 32 GLN QG . . 3.620 2.374 2.182 2.984 . 0 0 "[ . 1 . 2]" 2
902 1 32 GLN QB 1 33 CYS H . . 4.420 3.588 3.340 3.860 . 0 0 "[ . 1 . 2]" 2
903 1 32 GLN QG 1 33 CYS H . . 3.750 2.548 2.156 3.290 . 0 0 "[ . 1 . 2]" 2
904 1 32 GLN QG 1 39 HIS HA . . 4.130 2.393 1.979 3.233 . 0 0 "[ . 1 . 2]" 2
905 1 32 GLN QG 1 39 HIS HD2 . . 5.000 2.578 2.110 3.158 . 0 0 "[ . 1 . 2]" 2
906 1 32 GLN QG 1 41 TRP HA . . 5.040 3.881 3.308 4.857 . 0 0 "[ . 1 . 2]" 2
907 1 32 GLN QE 1 39 HIS HB2 . . 4.140 3.895 3.637 4.158 0.018 12 0 "[ . 1 . 2]" 2
908 1 32 GLN QE 1 39 HIS HB3 . . 3.700 2.327 2.031 2.617 . 0 0 "[ . 1 . 2]" 2
909 1 32 GLN QE 1 41 TRP HE1 . . 3.520 2.729 1.965 3.408 . 0 0 "[ . 1 . 2]" 2
910 1 33 CYS HA 1 34 GLU QB . . 4.640 4.187 4.058 4.435 . 0 0 "[ . 1 . 2]" 2
911 1 34 GLU H 1 34 GLU QB . . 3.340 2.246 2.128 2.475 . 0 0 "[ . 1 . 2]" 2
912 1 34 GLU H 1 34 GLU QG . . 4.050 3.358 2.238 4.058 0.008 3 0 "[ . 1 . 2]" 2
913 1 34 GLU HA 1 34 GLU QG . . 3.480 2.563 2.190 3.006 . 0 0 "[ . 1 . 2]" 2
914 1 34 GLU QB 1 34 GLU QG . . 2.320 2.010 1.969 2.084 . 0 0 "[ . 1 . 2]" 2
915 1 34 GLU QB 1 35 ASP H . . 3.740 2.406 2.154 2.743 . 0 0 "[ . 1 . 2]" 2
916 1 34 GLU QB 1 63 SER QB . . 4.560 3.712 2.959 4.541 . 0 0 "[ . 1 . 2]" 2
917 1 34 GLU QB 1 65 TYR QE . . 4.990 2.568 2.293 2.885 . 0 0 "[ . 1 . 2]" 2
918 1 34 GLU QG 1 35 ASP H . . 4.630 4.066 3.449 4.440 . 0 0 "[ . 1 . 2]" 2
919 1 34 GLU QG 1 64 PHE H . . 3.940 3.052 1.875 3.935 . 0 0 "[ . 1 . 2]" 2
920 1 35 ASP H 1 38 CYS QB . . 4.560 3.875 3.715 4.002 . 0 0 "[ . 1 . 2]" 2
921 1 35 ASP HB2 1 38 CYS QB . . 3.990 2.964 2.316 3.234 . 0 0 "[ . 1 . 2]" 2
922 1 35 ASP HB3 1 38 CYS QB . . 3.420 1.924 1.763 2.578 . 0 0 "[ . 1 . 2]" 2
923 1 36 PRO QB 1 39 HIS HE1 . . 5.310 3.679 3.342 3.950 . 0 0 "[ . 1 . 2]" 2
924 1 36 PRO QG 1 37 ARG H . . 3.360 1.894 1.839 2.079 . 0 0 "[ . 1 . 2]" 2
925 1 37 ARG H 1 37 ARG QB . . 3.540 2.497 2.374 2.632 . 0 0 "[ . 1 . 2]" 2
926 1 37 ARG H 1 37 ARG QG . . 3.140 2.162 1.874 2.965 . 0 0 "[ . 1 . 2]" 2
927 1 37 ARG H 1 37 ARG QD . . 4.430 3.792 2.001 4.340 . 0 0 "[ . 1 . 2]" 2
928 1 37 ARG H 1 38 CYS QB . . 5.340 4.399 4.277 4.497 . 0 0 "[ . 1 . 2]" 2
929 1 37 ARG HA 1 37 ARG QG . . 3.490 3.009 2.308 3.415 . 0 0 "[ . 1 . 2]" 2
930 1 37 ARG QB 1 37 ARG QD . . 2.990 2.190 2.034 2.611 . 0 0 "[ . 1 . 2]" 2
931 1 37 ARG QB 1 38 CYS H . . 3.830 3.056 2.350 3.664 . 0 0 "[ . 1 . 2]" 2
932 1 37 ARG QG 1 38 CYS H . . 4.130 2.890 1.840 4.115 . 0 0 "[ . 1 . 2]" 2
933 1 38 CYS H 1 38 CYS QB . . 2.980 2.199 2.146 2.317 . 0 0 "[ . 1 . 2]" 2
934 1 38 CYS QB 1 39 HIS H . . 3.050 1.935 1.887 2.054 . 0 0 "[ . 1 . 2]" 2
935 1 38 CYS QB 1 40 VAL H . . 4.780 3.063 2.834 3.288 . 0 0 "[ . 1 . 2]" 2
936 1 40 VAL MG2 1 42 GLN QG . . 3.460 2.620 2.078 3.467 0.007 15 0 "[ . 1 . 2]" 2
937 1 41 TRP HA 1 42 GLN QB . . 5.340 4.311 4.086 4.515 . 0 0 "[ . 1 . 2]" 2
938 1 42 GLN H 1 42 GLN QG . . 3.690 3.127 2.732 3.774 0.084 15 0 "[ . 1 . 2]" 2
939 1 42 GLN H 1 44 VAL QG . . 5.420 5.276 4.899 5.421 0.001 19 0 "[ . 1 . 2]" 2
940 1 42 GLN QB 1 43 HIS H . . 3.580 3.174 2.689 3.397 . 0 0 "[ . 1 . 2]" 2
941 1 42 GLN QB 1 47 VAL MG1 . . 3.280 2.453 2.128 2.832 . 0 0 "[ . 1 . 2]" 2
942 1 42 GLN QB 1 47 VAL MG2 . . 3.170 2.507 1.972 2.734 . 0 0 "[ . 1 . 2]" 2
943 1 42 GLN QG 1 43 HIS H . . 4.900 4.205 3.593 4.679 . 0 0 "[ . 1 . 2]" 2
944 1 42 GLN QG 1 47 VAL MG1 . . 4.730 3.551 2.282 3.844 . 0 0 "[ . 1 . 2]" 2
945 1 42 GLN QG 1 47 VAL MG2 . . 4.430 3.968 3.034 4.369 . 0 0 "[ . 1 . 2]" 2
946 1 42 GLN QG 1 66 CYS HA . . 5.340 3.894 2.519 4.624 . 0 0 "[ . 1 . 2]" 2
947 1 42 GLN QG 1 66 CYS HB2 . . 5.340 3.315 2.453 3.944 . 0 0 "[ . 1 . 2]" 2
948 1 42 GLN QE 1 66 CYS HB3 . . 4.950 3.414 1.894 4.350 . 0 0 "[ . 1 . 2]" 2
949 1 43 HIS H 1 43 HIS QB . . 3.510 2.507 2.423 2.654 . 0 0 "[ . 1 . 2]" 2
950 1 43 HIS HA 1 44 VAL QG . . 4.740 3.685 3.321 3.857 . 0 0 "[ . 1 . 2]" 2
951 1 43 HIS QB 1 44 VAL H . . 3.800 3.008 2.655 3.435 . 0 0 "[ . 1 . 2]" 2
952 1 43 HIS QB 1 45 GLY H . . 4.950 2.937 2.490 3.400 . 0 0 "[ . 1 . 2]" 2
953 1 43 HIS QB 1 46 CYS H . . 3.430 3.337 2.757 3.475 0.045 1 0 "[ . 1 . 2]" 2
954 1 43 HIS QB 1 46 CYS HB2 . . 3.490 2.038 1.963 2.325 . 0 0 "[ . 1 . 2]" 2
955 1 43 HIS QB 1 46 CYS HB3 . . 4.700 3.371 3.169 3.658 . 0 0 "[ . 1 . 2]" 2
956 1 43 HIS QB 1 47 VAL H . . 4.660 4.214 4.009 4.476 . 0 0 "[ . 1 . 2]" 2
957 1 44 VAL H 1 44 VAL QG . . 3.200 2.277 1.787 2.512 . 0 0 "[ . 1 . 2]" 2
958 1 44 VAL HA 1 48 ILE QG . . 3.710 2.571 2.367 2.848 . 0 0 "[ . 1 . 2]" 2
959 1 44 VAL QG 1 45 GLY H . . 4.440 3.121 1.884 3.450 . 0 0 "[ . 1 . 2]" 2
960 1 44 VAL QG 1 45 GLY QA . . 4.630 3.213 2.898 3.429 . 0 0 "[ . 1 . 2]" 2
961 1 44 VAL QG 1 48 ILE H . . 5.060 3.923 3.391 4.501 . 0 0 "[ . 1 . 2]" 2
962 1 44 VAL QG 1 48 ILE HB . . 3.670 2.382 1.794 3.644 . 0 0 "[ . 1 . 2]" 2
963 1 44 VAL QG 1 48 ILE QG . . 3.740 2.389 1.919 2.785 . 0 0 "[ . 1 . 2]" 2
964 1 47 VAL MG2 1 48 ILE QG . . 3.040 1.977 1.838 2.100 . 0 0 "[ . 1 . 2]" 2
965 1 48 ILE H 1 48 ILE QG . . 3.620 2.021 1.895 2.173 . 0 0 "[ . 1 . 2]" 2
966 1 48 ILE HA 1 48 ILE QG . . 3.620 2.976 2.902 3.099 . 0 0 "[ . 1 . 2]" 2
967 1 48 ILE MG 1 61 PRO QD . . 4.590 3.143 2.416 3.818 . 0 0 "[ . 1 . 2]" 2
968 1 48 ILE QG 1 49 LEU H . . 5.010 4.649 4.422 4.843 . 0 0 "[ . 1 . 2]" 2
969 1 48 ILE MD 1 61 PRO QD . . 3.680 2.810 2.257 3.251 . 0 0 "[ . 1 . 2]" 2
970 1 49 LEU H 1 49 LEU QB . . 3.020 2.431 2.093 2.976 . 0 0 "[ . 1 . 2]" 2
971 1 49 LEU QB 1 50 PRO QD . . 3.880 2.452 1.848 3.599 . 0 0 "[ . 1 . 2]" 2
972 1 52 LYS H 1 52 LYS QB . . 3.410 2.151 2.085 2.531 . 0 0 "[ . 1 . 2]" 2
973 1 52 LYS H 1 53 PRO QD . . 4.250 1.949 1.793 2.158 . 0 0 "[ . 1 . 2]" 2
974 1 52 LYS QB 1 53 PRO HA . . 4.850 4.047 3.777 4.570 . 0 0 "[ . 1 . 2]" 2
975 1 52 LYS QB 1 53 PRO QG . . 3.870 3.672 3.399 3.785 . 0 0 "[ . 1 . 2]" 2
976 1 52 LYS QB 1 53 PRO QD . . 3.010 1.831 1.670 1.888 . 0 0 "[ . 1 . 2]" 2
977 1 52 LYS QG 1 53 PRO QD . . 3.940 3.216 1.963 3.869 . 0 0 "[ . 1 . 2]" 2
978 1 54 MET H 1 54 MET QB . . 3.560 2.520 2.153 3.297 . 0 0 "[ . 1 . 2]" 2
979 1 57 ASN H 1 57 ASN QB . . 3.620 2.765 2.317 3.292 . 0 0 "[ . 1 . 2]" 2
980 1 57 ASN QB 1 58 PRO HA . . 3.890 2.132 1.962 2.968 . 0 0 "[ . 1 . 2]" 2
981 1 57 ASN QB 1 59 PRO HD3 . . 3.280 2.517 2.121 3.283 0.003 14 0 "[ . 1 . 2]" 2
982 1 58 PRO QB 1 59 PRO HD2 . . 3.860 2.683 2.372 2.906 . 0 0 "[ . 1 . 2]" 2
983 1 59 PRO HA 1 60 LEU QB . . 5.030 4.706 4.384 4.898 . 0 0 "[ . 1 . 2]" 2
984 1 59 PRO QB 1 60 LEU H . . 3.690 2.229 1.983 2.384 . 0 0 "[ . 1 . 2]" 2
985 1 60 LEU H 1 60 LEU QB . . 3.110 2.465 2.324 2.699 . 0 0 "[ . 1 . 2]" 2
986 1 60 LEU H 1 60 LEU QD . . 3.780 2.931 1.809 3.227 . 0 0 "[ . 1 . 2]" 2
987 1 60 LEU H 1 61 PRO QD . . 5.350 4.318 4.290 4.371 . 0 0 "[ . 1 . 2]" 2
988 1 60 LEU HA 1 60 LEU QD . . 3.960 2.767 1.958 3.401 . 0 0 "[ . 1 . 2]" 2
989 1 60 LEU HA 1 61 PRO QD . . 3.400 2.057 1.975 2.118 . 0 0 "[ . 1 . 2]" 2
990 1 60 LEU QB 1 60 LEU HG . . 2.520 2.441 2.329 2.483 . 0 0 "[ . 1 . 2]" 2
991 1 60 LEU QB 1 60 LEU QD . . 2.410 1.844 1.772 1.946 . 0 0 "[ . 1 . 2]" 2
992 1 60 LEU QB 1 61 PRO QD . . 3.250 2.094 1.938 2.388 . 0 0 "[ . 1 . 2]" 2
993 1 60 LEU QD 1 61 PRO QD . . 3.310 2.699 1.934 3.371 0.061 10 0 "[ . 1 . 2]" 2
994 1 61 PRO QB 1 62 GLU H . . 3.780 3.357 2.912 3.681 . 0 0 "[ . 1 . 2]" 2
995 1 61 PRO QB 1 63 SER H . . 3.950 3.228 2.712 3.909 . 0 0 "[ . 1 . 2]" 2
996 1 62 GLU H 1 62 GLU QB . . 3.180 2.324 2.138 2.582 . 0 0 "[ . 1 . 2]" 2
997 1 62 GLU QB 1 63 SER H . . 3.380 2.578 2.015 3.467 0.087 1 0 "[ . 1 . 2]" 2
998 1 62 GLU QB 1 63 SER QB . . 5.340 3.767 3.446 4.507 . 0 0 "[ . 1 . 2]" 2
999 1 66 CYS HA 1 67 GLU QB . . 5.340 4.472 4.389 4.564 . 0 0 "[ . 1 . 2]" 2
1000 1 66 CYS HA 1 67 GLU QG . . 5.340 4.760 4.312 5.349 0.009 14 0 "[ . 1 . 2]" 2
1001 1 66 CYS HB2 1 67 GLU QG . . 5.340 3.578 3.156 4.322 . 0 0 "[ . 1 . 2]" 2
1002 1 67 GLU H 1 67 GLU QG . . 3.590 2.412 2.002 3.046 . 0 0 "[ . 1 . 2]" 2
1003 1 67 GLU QB 1 67 GLU QG . . 2.300 2.028 2.012 2.068 . 0 0 "[ . 1 . 2]" 2
1004 1 67 GLU QB 1 70 ARG QD . . 5.340 3.545 2.770 4.451 . 0 0 "[ . 1 . 2]" 2
1005 1 67 GLU QG 1 68 ILE H . . 3.700 2.438 2.059 3.553 . 0 0 "[ . 1 . 2]" 2
1006 1 67 GLU QG 1 68 ILE HA . . 4.880 3.645 3.207 4.301 . 0 0 "[ . 1 . 2]" 2
1007 1 67 GLU QG 1 68 ILE QG . . 3.770 2.289 1.997 2.931 . 0 0 "[ . 1 . 2]" 2
1008 1 67 GLU QG 1 68 ILE MD . . 4.590 3.111 1.889 3.595 . 0 0 "[ . 1 . 2]" 2
1009 1 68 ILE H 1 68 ILE QG . . 3.550 2.369 2.022 3.074 . 0 0 "[ . 1 . 2]" 2
1010 1 68 ILE HA 1 68 ILE QG . . 3.430 2.450 2.242 2.541 . 0 0 "[ . 1 . 2]" 2
1011 1 68 ILE QG 1 68 ILE MG . . 3.270 2.133 1.993 2.291 . 0 0 "[ . 1 . 2]" 2
1012 1 68 ILE QG 1 69 CYS H . . 4.610 4.145 3.981 4.468 . 0 0 "[ . 1 . 2]" 2
1013 1 71 LEU H 1 71 LEU QB . . 2.890 2.272 2.137 2.648 . 0 0 "[ . 1 . 2]" 2
1014 1 71 LEU QB 1 71 LEU HG . . 2.520 2.469 2.419 2.487 . 0 0 "[ . 1 . 2]" 2
1015 1 71 LEU QB 1 71 LEU MD1 . . 2.620 2.119 2.042 2.184 . 0 0 "[ . 1 . 2]" 2
1016 1 71 LEU QB 1 71 LEU MD2 . . 2.570 1.984 1.917 2.099 . 0 0 "[ . 1 . 2]" 2
1017 1 71 LEU QB 1 72 THR H . . 3.670 3.393 2.793 3.529 . 0 0 "[ . 1 . 2]" 2
1018 1 71 LEU QB 1 72 THR MG . . 4.070 3.938 2.938 4.134 0.064 12 0 "[ . 1 . 2]" 2
1019 1 75 PRO QB 1 76 SER H . . 4.080 3.246 2.169 3.895 . 0 0 "[ . 1 . 2]" 2
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