NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506325 |
1x4j   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4j
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 26
_Distance_constraint_stats_list.Viol_count 313
_Distance_constraint_stats_list.Viol_total 40.397
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0065
_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 26 CYS 0.451 0.014 11 0 "[ . 1 . 2]"
1 29 CYS 0.266 0.021 17 0 "[ . 1 . 2]"
1 44 CYS 0.336 0.020 17 0 "[ . 1 . 2]"
1 46 HIS 0.168 0.011 20 0 "[ . 1 . 2]"
1 49 HIS 0.356 0.020 11 0 "[ . 1 . 2]"
1 52 CYS 0.222 0.013 19 0 "[ . 1 . 2]"
1 63 CYS 0.252 0.020 17 0 "[ . 1 . 2]"
1 66 CYS 0.657 0.036 3 0 "[ . 1 . 2]"
2 1 ZN 0.658 0.021 17 0 "[ . 1 . 2]"
3 1 ZN 0.674 0.036 3 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 26 CYS SG 2 1 ZN ZN . 2.250 2.350 2.358 2.352 2.364 0.014 11 0 "[ . 1 . 2]" 1
2 1 29 CYS SG 2 1 ZN ZN . 2.250 2.350 2.266 2.229 2.314 0.021 17 0 "[ . 1 . 2]" 1
3 1 52 CYS SG 2 1 ZN ZN . 2.250 2.350 2.344 2.294 2.360 0.010 7 0 "[ . 1 . 2]" 1
4 1 49 HIS ND1 2 1 ZN ZN . . 2.050 2.059 2.051 2.070 0.020 11 0 "[ . 1 . 2]" 1
5 1 26 CYS CB 2 1 ZN ZN . 3.220 3.520 3.228 3.212 3.304 0.008 11 0 "[ . 1 . 2]" 1
6 1 29 CYS CB 2 1 ZN ZN . 3.220 3.520 3.498 3.370 3.535 0.015 17 0 "[ . 1 . 2]" 1
7 1 52 CYS CB 2 1 ZN ZN . 3.220 3.520 3.516 3.473 3.533 0.013 19 0 "[ . 1 . 2]" 1
8 1 26 CYS SG 1 29 CYS SG . 3.650 3.850 3.652 3.640 3.749 0.010 19 0 "[ . 1 . 2]" 1
9 1 26 CYS SG 1 49 HIS ND1 . 3.500 3.700 3.497 3.486 3.544 0.014 11 0 "[ . 1 . 2]" 1
10 1 26 CYS SG 1 52 CYS SG . 3.650 3.850 3.780 3.647 3.851 0.003 5 0 "[ . 1 . 2]" 1
11 1 29 CYS SG 1 49 HIS ND1 . 3.500 3.700 3.622 3.519 3.704 0.004 19 0 "[ . 1 . 2]" 1
12 1 29 CYS SG 1 52 CYS SG . 3.650 3.850 3.848 3.777 3.861 0.011 17 0 "[ . 1 . 2]" 1
13 1 49 HIS ND1 1 52 CYS SG . 3.500 3.700 3.675 3.620 3.707 0.007 11 0 "[ . 1 . 2]" 1
14 1 44 CYS SG 3 1 ZN ZN . 2.250 2.350 2.357 2.353 2.366 0.016 3 0 "[ . 1 . 2]" 1
15 1 46 HIS ND1 3 1 ZN ZN . . 2.050 2.009 1.976 2.051 0.001 18 0 "[ . 1 . 2]" 1
16 1 63 CYS SG 3 1 ZN ZN . 2.250 2.350 2.349 2.316 2.357 0.007 14 0 "[ . 1 . 2]" 1
17 1 66 CYS SG 3 1 ZN ZN . 2.250 2.350 2.239 2.221 2.246 0.029 3 0 "[ . 1 . 2]" 1
18 1 44 CYS CB 3 1 ZN ZN . 3.220 3.520 3.270 3.218 3.343 0.002 11 0 "[ . 1 . 2]" 1
19 1 63 CYS CB 3 1 ZN ZN . 3.220 3.520 3.264 3.217 3.360 0.003 20 0 "[ . 1 . 2]" 1
20 1 66 CYS CB 3 1 ZN ZN . 3.220 3.520 3.534 3.524 3.556 0.036 3 0 "[ . 1 . 2]" 1
21 1 44 CYS SG 1 46 HIS ND1 . 3.500 3.700 3.507 3.494 3.559 0.006 15 0 "[ . 1 . 2]" 1
22 1 44 CYS SG 1 63 CYS SG . 3.650 3.850 3.644 3.630 3.649 0.020 17 0 "[ . 1 . 2]" 1
23 1 44 CYS SG 1 66 CYS SG . 3.650 3.850 3.658 3.641 3.717 0.009 6 0 "[ . 1 . 2]" 1
24 1 46 HIS ND1 1 63 CYS SG . 3.500 3.700 3.506 3.489 3.565 0.011 20 0 "[ . 1 . 2]" 1
25 1 46 HIS ND1 1 66 CYS SG . 3.500 3.700 3.703 3.687 3.708 0.008 20 0 "[ . 1 . 2]" 1
26 1 63 CYS SG 1 66 CYS SG . 3.650 3.850 3.829 3.748 3.864 0.014 3 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 1098
_Distance_constraint_stats_list.Viol_count 615
_Distance_constraint_stats_list.Viol_total 246.713
_Distance_constraint_stats_list.Viol_max 0.218
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0201
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.258 0.095 13 0 "[ . 1 . 2]"
1 10 PRO 0.109 0.076 13 0 "[ . 1 . 2]"
1 11 SER 0.012 0.010 5 0 "[ . 1 . 2]"
1 12 TYR 0.114 0.016 20 0 "[ . 1 . 2]"
1 13 ARG 0.205 0.070 8 0 "[ . 1 . 2]"
1 14 PHE 0.419 0.066 20 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 17 0 "[ . 1 . 2]"
1 16 PRO 0.336 0.111 20 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 HIS 0.217 0.051 5 0 "[ . 1 . 2]"
1 20 GLN 0.306 0.092 14 0 "[ . 1 . 2]"
1 21 SER 0.054 0.026 10 0 "[ . 1 . 2]"
1 22 GLU 0.078 0.024 14 0 "[ . 1 . 2]"
1 23 GLN 0.705 0.056 1 0 "[ . 1 . 2]"
1 24 THR 0.284 0.051 5 0 "[ . 1 . 2]"
1 25 LEU 0.195 0.051 10 0 "[ . 1 . 2]"
1 26 CYS 0.324 0.038 19 0 "[ . 1 . 2]"
1 27 VAL 1.017 0.079 11 0 "[ . 1 . 2]"
1 28 VAL 0.486 0.042 19 0 "[ . 1 . 2]"
1 29 CYS 0.108 0.030 13 0 "[ . 1 . 2]"
1 30 MET 0.562 0.045 17 0 "[ . 1 . 2]"
1 31 CYS 0.128 0.025 8 0 "[ . 1 . 2]"
1 32 ASP 0.110 0.025 8 0 "[ . 1 . 2]"
1 33 PHE 0.546 0.048 9 0 "[ . 1 . 2]"
1 34 GLU 0.189 0.109 16 0 "[ . 1 . 2]"
1 35 SER 0.446 0.109 16 0 "[ . 1 . 2]"
1 36 ARG 0.905 0.164 18 0 "[ . 1 . 2]"
1 37 GLN 0.446 0.091 10 0 "[ . 1 . 2]"
1 38 LEU 0.057 0.015 1 0 "[ . 1 . 2]"
1 39 LEU 0.181 0.066 20 0 "[ . 1 . 2]"
1 40 ARG 0.116 0.034 6 0 "[ . 1 . 2]"
1 41 VAL 0.138 0.028 10 0 "[ . 1 . 2]"
1 42 LEU 2.862 0.110 4 0 "[ . 1 . 2]"
1 43 PRO 1.803 0.110 4 0 "[ . 1 . 2]"
1 44 CYS 0.037 0.021 6 0 "[ . 1 . 2]"
1 45 ASN 0.052 0.028 10 0 "[ . 1 . 2]"
1 46 HIS 0.270 0.054 6 0 "[ . 1 . 2]"
1 47 GLU 0.430 0.048 9 0 "[ . 1 . 2]"
1 48 PHE 1.974 0.079 11 0 "[ . 1 . 2]"
1 49 HIS 0.378 0.037 19 0 "[ . 1 . 2]"
1 50 ALA 0.129 0.034 6 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.195 0.032 5 0 "[ . 1 . 2]"
1 53 VAL 0.078 0.027 19 0 "[ . 1 . 2]"
1 54 ASP 0.032 0.020 7 0 "[ . 1 . 2]"
1 55 LYS 0.291 0.040 12 0 "[ . 1 . 2]"
1 56 TRP 0.175 0.027 19 0 "[ . 1 . 2]"
1 57 LEU 0.090 0.020 7 0 "[ . 1 . 2]"
1 58 LYS 1.341 0.115 17 0 "[ . 1 . 2]"
1 59 ALA 0.497 0.108 2 0 "[ . 1 . 2]"
1 60 ASN 0.161 0.038 20 0 "[ . 1 . 2]"
1 61 ARG 0.169 0.049 15 0 "[ . 1 . 2]"
1 62 THR 0.126 0.049 15 0 "[ . 1 . 2]"
1 63 CYS 0.404 0.049 17 0 "[ . 1 . 2]"
1 64 PRO 0.194 0.027 4 0 "[ . 1 . 2]"
1 65 ILE 0.553 0.054 6 0 "[ . 1 . 2]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.110 0.025 3 0 "[ . 1 . 2]"
1 68 ALA 0.489 0.218 16 0 "[ . 1 . 2]"
1 69 ASP 0.495 0.218 16 0 "[ . 1 . 2]"
1 70 SER 0.040 0.012 15 0 "[ . 1 . 2]"
1 71 GLY 0.154 0.025 3 0 "[ . 1 . 2]"
1 72 PRO 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 56 TRP HE1 1 64 PRO HA . . 3.990 3.594 3.350 3.773 . 0 0 "[ . 1 . 2]" 2
2 1 56 TRP HE1 1 64 PRO HD2 . . 4.330 3.921 3.754 4.156 . 0 0 "[ . 1 . 2]" 2
3 1 56 TRP HE1 1 62 THR H . . 4.030 3.247 3.018 3.465 . 0 0 "[ . 1 . 2]" 2
4 1 56 TRP HE1 1 64 PRO HD3 . . 3.900 2.310 2.060 2.613 . 0 0 "[ . 1 . 2]" 2
5 1 56 TRP HE1 1 60 ASN HB2 . . 4.010 3.230 2.800 3.713 . 0 0 "[ . 1 . 2]" 2
6 1 56 TRP HE1 1 60 ASN HB3 . . 4.010 3.888 3.241 4.018 0.008 7 0 "[ . 1 . 2]" 2
7 1 56 TRP HE1 1 64 PRO HB3 . . 4.200 3.421 3.186 3.595 . 0 0 "[ . 1 . 2]" 2
8 1 40 ARG H 1 50 ALA H . . 4.170 3.183 2.793 3.535 . 0 0 "[ . 1 . 2]" 2
9 1 39 LEU HA 1 50 ALA H . . 3.370 2.131 1.945 2.307 . 0 0 "[ . 1 . 2]" 2
10 1 49 HIS HA 1 50 ALA H . . 2.970 2.147 2.140 2.173 . 0 0 "[ . 1 . 2]" 2
11 1 49 HIS HB3 1 50 ALA H . . 4.030 3.499 3.281 3.703 . 0 0 "[ . 1 . 2]" 2
12 1 50 ALA H 1 50 ALA MB . . 3.110 2.162 2.043 2.241 . 0 0 "[ . 1 . 2]" 2
13 1 39 LEU MD2 1 50 ALA H . . 4.250 2.933 2.432 3.372 . 0 0 "[ . 1 . 2]" 2
14 1 42 LEU H 1 47 GLU HA . . 3.980 3.593 3.413 3.672 . 0 0 "[ . 1 . 2]" 2
15 1 41 VAL HA 1 42 LEU H . . 2.830 2.145 2.140 2.157 . 0 0 "[ . 1 . 2]" 2
16 1 42 LEU H 1 43 PRO HD2 . . 4.940 4.733 4.721 4.747 . 0 0 "[ . 1 . 2]" 2
17 1 42 LEU H 1 42 LEU HB3 . . 3.640 3.547 3.539 3.557 . 0 0 "[ . 1 . 2]" 2
18 1 42 LEU H 1 42 LEU HB2 . . 3.100 2.295 2.262 2.325 . 0 0 "[ . 1 . 2]" 2
19 1 42 LEU H 1 42 LEU HG . . 3.300 2.643 2.559 2.776 . 0 0 "[ . 1 . 2]" 2
20 1 42 LEU H 1 42 LEU MD1 . . 3.990 3.857 3.776 3.966 . 0 0 "[ . 1 . 2]" 2
21 1 41 VAL MG1 1 42 LEU H . . 3.190 2.816 2.580 3.074 . 0 0 "[ . 1 . 2]" 2
22 1 15 ASN H 1 15 ASN HB3 . . 3.910 3.521 2.664 3.910 0.000 17 0 "[ . 1 . 2]" 2
23 1 14 PHE HA 1 15 ASN H . . 3.050 2.215 2.139 2.347 . 0 0 "[ . 1 . 2]" 2
24 1 15 ASN H 1 15 ASN HB2 . . 3.910 2.794 2.349 3.665 . 0 0 "[ . 1 . 2]" 2
25 1 25 LEU HA 1 26 CYS H . . 2.940 2.265 2.188 2.330 . 0 0 "[ . 1 . 2]" 2
26 1 26 CYS H 1 26 CYS HB2 . . 3.330 2.718 2.495 2.876 . 0 0 "[ . 1 . 2]" 2
27 1 26 CYS H 1 49 HIS HE1 . . 5.270 5.074 4.831 5.278 0.008 11 0 "[ . 1 . 2]" 2
28 1 26 CYS H 1 33 PHE QE . . 4.440 3.862 3.381 4.304 . 0 0 "[ . 1 . 2]" 2
29 1 26 CYS H 1 33 PHE HZ . . 4.830 3.988 3.467 4.773 . 0 0 "[ . 1 . 2]" 2
30 1 26 CYS H 1 32 ASP HA . . 3.740 3.126 2.784 3.482 . 0 0 "[ . 1 . 2]" 2
31 1 26 CYS H 1 26 CYS HB3 . . 3.110 2.551 2.477 2.614 . 0 0 "[ . 1 . 2]" 2
32 1 25 LEU HB2 1 26 CYS H . . 4.360 3.946 3.733 4.139 . 0 0 "[ . 1 . 2]" 2
33 1 25 LEU HG 1 26 CYS H . . 3.400 2.245 1.899 2.605 . 0 0 "[ . 1 . 2]" 2
34 1 25 LEU MD2 1 26 CYS H . . 4.120 2.609 2.272 3.151 . 0 0 "[ . 1 . 2]" 2
35 1 27 VAL H 1 48 PHE QD . . 4.030 3.454 3.194 3.633 . 0 0 "[ . 1 . 2]" 2
36 1 27 VAL H 1 48 PHE QE . . 4.250 3.242 3.059 3.424 . 0 0 "[ . 1 . 2]" 2
37 1 26 CYS HA 1 27 VAL H . . 2.930 2.207 2.147 2.295 . 0 0 "[ . 1 . 2]" 2
38 1 27 VAL H 1 27 VAL HB . . 3.340 2.211 2.187 2.271 . 0 0 "[ . 1 . 2]" 2
39 1 27 VAL H 1 27 VAL MG1 . . 2.960 2.772 2.695 2.898 . 0 0 "[ . 1 . 2]" 2
40 1 27 VAL H 1 65 ILE MD . . 4.270 2.989 2.773 3.214 . 0 0 "[ . 1 . 2]" 2
41 1 25 LEU MD2 1 27 VAL H . . 4.420 2.837 2.397 3.244 . 0 0 "[ . 1 . 2]" 2
42 1 8 GLN HA 1 9 LEU H . . 3.000 2.291 2.140 2.768 . 0 0 "[ . 1 . 2]" 2
43 1 9 LEU H 1 9 LEU HG . . 3.100 2.440 2.075 3.120 0.020 13 0 "[ . 1 . 2]" 2
44 1 9 LEU H 1 9 LEU QB . . 2.990 2.396 2.297 2.554 . 0 0 "[ . 1 . 2]" 2
45 1 13 ARG HA 1 14 PHE H . . 3.440 2.173 2.140 2.287 . 0 0 "[ . 1 . 2]" 2
46 1 14 PHE H 1 14 PHE HB2 . . 3.670 2.625 2.491 2.822 . 0 0 "[ . 1 . 2]" 2
47 1 14 PHE H 1 14 PHE HB3 . . 3.670 2.452 2.270 2.588 . 0 0 "[ . 1 . 2]" 2
48 1 40 ARG HA 1 41 VAL H . . 3.180 2.155 2.141 2.375 . 0 0 "[ . 1 . 2]" 2
49 1 41 VAL H 1 41 VAL HB . . 3.580 2.543 2.468 2.758 . 0 0 "[ . 1 . 2]" 2
50 1 40 ARG HB3 1 41 VAL H . . 3.580 3.395 2.527 3.493 . 0 0 "[ . 1 . 2]" 2
51 1 63 CYS QB 1 68 ALA H . . 3.280 1.915 1.865 2.295 . 0 0 "[ . 1 . 2]" 2
52 1 67 ARG H 1 68 ALA H . . 3.010 2.931 2.867 3.035 0.025 3 0 "[ . 1 . 2]" 2
53 1 25 LEU H 1 25 LEU HB2 . . 4.090 3.305 3.207 3.522 . 0 0 "[ . 1 . 2]" 2
54 1 25 LEU H 1 25 LEU HB3 . . 4.090 2.783 2.671 2.862 . 0 0 "[ . 1 . 2]" 2
55 1 37 GLN HB2 1 38 LEU H . . 4.170 4.043 3.868 4.181 0.011 12 0 "[ . 1 . 2]" 2
56 1 38 LEU H 1 38 LEU MD1 . . 4.720 3.884 3.603 4.260 . 0 0 "[ . 1 . 2]" 2
57 1 56 TRP H 1 57 LEU H . . 3.530 2.871 2.626 3.081 . 0 0 "[ . 1 . 2]" 2
58 1 55 LYS H 1 56 TRP H . . 3.520 2.593 2.334 2.781 . 0 0 "[ . 1 . 2]" 2
59 1 56 TRP H 1 56 TRP HB3 . . 2.850 2.465 2.372 2.588 . 0 0 "[ . 1 . 2]" 2
60 1 56 TRP H 1 56 TRP HB2 . . 2.850 2.608 2.550 2.751 . 0 0 "[ . 1 . 2]" 2
61 1 55 LYS QB 1 56 TRP H . . 3.350 2.581 2.281 2.947 . 0 0 "[ . 1 . 2]" 2
62 1 69 ASP H 1 69 ASP HB2 . . 3.770 2.559 2.175 3.777 0.007 7 0 "[ . 1 . 2]" 2
63 1 69 ASP H 1 69 ASP HB3 . . 3.770 2.827 2.327 3.196 . 0 0 "[ . 1 . 2]" 2
64 1 38 LEU H 1 38 LEU HB3 . . 3.160 2.791 2.621 2.882 . 0 0 "[ . 1 . 2]" 2
65 1 37 GLN HA 1 38 LEU H . . 2.830 2.201 2.161 2.295 . 0 0 "[ . 1 . 2]" 2
66 1 38 LEU H 1 38 LEU HB2 . . 3.190 2.277 2.202 2.425 . 0 0 "[ . 1 . 2]" 2
67 1 32 ASP H 1 32 ASP HB2 . . 4.100 3.030 2.189 3.613 . 0 0 "[ . 1 . 2]" 2
68 1 32 ASP H 1 32 ASP HB3 . . 4.100 2.759 2.177 3.612 . 0 0 "[ . 1 . 2]" 2
69 1 62 THR HB 1 63 CYS H . . 3.390 2.165 1.892 2.387 . 0 0 "[ . 1 . 2]" 2
70 1 63 CYS H 1 63 CYS QB . . 2.850 2.277 2.248 2.303 . 0 0 "[ . 1 . 2]" 2
71 1 62 THR MG 1 63 CYS H . . 3.830 3.530 3.096 3.734 . 0 0 "[ . 1 . 2]" 2
72 1 33 PHE HA 1 34 GLU H . . 3.040 2.281 2.151 2.660 . 0 0 "[ . 1 . 2]" 2
73 1 34 GLU H 1 37 GLN HB2 . . 5.290 3.461 2.240 4.272 . 0 0 "[ . 1 . 2]" 2
74 1 34 GLU H 1 37 GLN HG2 . . 5.500 4.822 3.818 5.490 . 0 0 "[ . 1 . 2]" 2
75 1 34 GLU H 1 34 GLU HB2 . . 4.030 2.407 2.187 2.917 . 0 0 "[ . 1 . 2]" 2
76 1 34 GLU H 1 34 GLU QG . . 4.380 3.394 2.593 4.217 . 0 0 "[ . 1 . 2]" 2
77 1 34 GLU H 1 34 GLU HB3 . . 4.030 3.274 2.556 3.667 . 0 0 "[ . 1 . 2]" 2
78 1 45 ASN H 1 46 HIS H . . 3.170 2.668 2.491 2.785 . 0 0 "[ . 1 . 2]" 2
79 1 46 HIS H 1 47 GLU H . . 4.520 4.326 4.281 4.389 . 0 0 "[ . 1 . 2]" 2
80 1 44 CYS H 1 46 HIS H . . 4.210 3.447 3.213 3.584 . 0 0 "[ . 1 . 2]" 2
81 1 46 HIS H 1 46 HIS HD2 . . 4.700 4.676 4.548 4.718 0.018 20 0 "[ . 1 . 2]" 2
82 1 46 HIS H 1 46 HIS HB2 . . 3.080 2.637 2.522 2.703 . 0 0 "[ . 1 . 2]" 2
83 1 46 HIS H 1 46 HIS HB3 . . 3.850 3.738 3.679 3.781 . 0 0 "[ . 1 . 2]" 2
84 1 42 LEU HB3 1 46 HIS H . . 4.330 4.148 3.951 4.260 . 0 0 "[ . 1 . 2]" 2
85 1 42 LEU HB2 1 46 HIS H . . 4.110 2.930 2.787 3.076 . 0 0 "[ . 1 . 2]" 2
86 1 41 VAL MG1 1 46 HIS H . . 4.220 2.517 2.312 2.813 . 0 0 "[ . 1 . 2]" 2
87 1 47 GLU H 1 47 GLU HG2 . . 3.910 3.567 2.949 3.875 . 0 0 "[ . 1 . 2]" 2
88 1 47 GLU H 1 47 GLU HG3 . . 3.910 2.893 2.293 3.634 . 0 0 "[ . 1 . 2]" 2
89 1 46 HIS HD2 1 47 GLU H . . 4.200 3.741 3.620 3.819 . 0 0 "[ . 1 . 2]" 2
90 1 23 GLN HE22 1 47 GLU H . . 4.750 4.244 3.479 4.779 0.029 2 0 "[ . 1 . 2]" 2
91 1 46 HIS HA 1 47 GLU H . . 3.180 2.184 2.166 2.211 . 0 0 "[ . 1 . 2]" 2
92 1 46 HIS HB3 1 47 GLU H . . 4.020 3.150 3.046 3.241 . 0 0 "[ . 1 . 2]" 2
93 1 47 GLU H 1 47 GLU HB2 . . 3.610 2.544 2.422 2.632 . 0 0 "[ . 1 . 2]" 2
94 1 21 SER HB2 1 23 GLN H . . 4.150 3.319 2.355 4.153 0.003 6 0 "[ . 1 . 2]" 2
95 1 23 GLN H 1 23 GLN HB3 . . 2.980 2.738 2.320 2.950 . 0 0 "[ . 1 . 2]" 2
96 1 23 GLN H 1 23 GLN HG3 . . 3.560 2.364 1.979 2.836 . 0 0 "[ . 1 . 2]" 2
97 1 23 GLN H 1 23 GLN HB2 . . 3.730 3.685 3.565 3.786 0.056 1 0 "[ . 1 . 2]" 2
98 1 62 THR HA 1 70 SER H . . 3.890 2.470 2.004 3.302 . 0 0 "[ . 1 . 2]" 2
99 1 69 ASP HA 1 70 SER H . . 2.890 2.159 2.139 2.325 . 0 0 "[ . 1 . 2]" 2
100 1 62 THR MG 1 70 SER H . . 4.310 3.428 2.971 3.960 . 0 0 "[ . 1 . 2]" 2
101 1 12 TYR HB3 1 13 ARG H . . 4.320 4.095 3.975 4.197 . 0 0 "[ . 1 . 2]" 2
102 1 21 SER HA 1 22 GLU H . . 3.540 2.364 2.142 2.570 . 0 0 "[ . 1 . 2]" 2
103 1 22 GLU H 1 22 GLU HB2 . . 3.890 3.657 2.890 3.815 . 0 0 "[ . 1 . 2]" 2
104 1 22 GLU H 1 22 GLU HB3 . . 3.890 2.866 2.476 3.538 . 0 0 "[ . 1 . 2]" 2
105 1 30 MET H 1 30 MET HA . . 2.800 2.311 2.280 2.322 . 0 0 "[ . 1 . 2]" 2
106 1 28 VAL H 1 30 MET H . . 4.000 3.680 3.386 3.816 . 0 0 "[ . 1 . 2]" 2
107 1 27 VAL HA 1 30 MET H . . 3.460 3.459 3.309 3.505 0.045 17 0 "[ . 1 . 2]" 2
108 1 30 MET H 1 30 MET HG2 . . 3.540 2.526 2.342 2.896 . 0 0 "[ . 1 . 2]" 2
109 1 30 MET H 1 30 MET HB2 . . 3.530 3.322 3.224 3.472 . 0 0 "[ . 1 . 2]" 2
110 1 28 VAL HB 1 30 MET H . . 4.440 4.303 4.119 4.428 . 0 0 "[ . 1 . 2]" 2
111 1 27 VAL H 1 28 VAL H . . 3.550 2.730 2.503 2.917 . 0 0 "[ . 1 . 2]" 2
112 1 28 VAL H 1 29 CYS H . . 3.150 2.990 2.813 3.132 . 0 0 "[ . 1 . 2]" 2
113 1 28 VAL H 1 48 PHE QD . . 3.360 3.094 2.887 3.270 . 0 0 "[ . 1 . 2]" 2
114 1 28 VAL H 1 48 PHE QE . . 3.730 3.605 3.473 3.758 0.028 17 0 "[ . 1 . 2]" 2
115 1 26 CYS HA 1 28 VAL H . . 4.390 3.465 3.281 3.611 . 0 0 "[ . 1 . 2]" 2
116 1 28 VAL H 1 52 CYS HB2 . . 5.420 5.220 5.043 5.296 . 0 0 "[ . 1 . 2]" 2
117 1 28 VAL H 1 28 VAL HB . . 3.000 2.646 2.580 2.728 . 0 0 "[ . 1 . 2]" 2
118 1 28 VAL H 1 28 VAL MG1 . . 3.850 3.761 3.749 3.768 . 0 0 "[ . 1 . 2]" 2
119 1 28 VAL H 1 28 VAL MG2 . . 3.080 1.884 1.856 1.993 . 0 0 "[ . 1 . 2]" 2
120 1 36 ARG H 1 37 GLN H . . 4.190 2.952 2.681 3.353 . 0 0 "[ . 1 . 2]" 2
121 1 37 GLN H 1 37 GLN HB3 . . 4.070 3.876 3.730 3.938 . 0 0 "[ . 1 . 2]" 2
122 1 8 GLN H 1 9 LEU H . . 4.540 4.330 2.957 4.538 . 0 0 "[ . 1 . 2]" 2
123 1 8 GLN H 1 8 GLN QG . . 4.190 2.907 1.891 4.018 . 0 0 "[ . 1 . 2]" 2
124 1 65 ILE HB 1 66 CYS H . . 3.740 2.069 1.949 2.232 . 0 0 "[ . 1 . 2]" 2
125 1 48 PHE QD 1 49 HIS H . . 4.270 3.611 3.504 3.678 . 0 0 "[ . 1 . 2]" 2
126 1 49 HIS H 1 52 CYS H . . 4.500 4.179 4.027 4.366 . 0 0 "[ . 1 . 2]" 2
127 1 33 PHE QE 1 49 HIS H . . 3.630 2.959 2.615 3.571 . 0 0 "[ . 1 . 2]" 2
128 1 48 PHE HA 1 49 HIS H . . 3.440 2.506 2.429 2.622 . 0 0 "[ . 1 . 2]" 2
129 1 49 HIS H 1 49 HIS HB2 . . 3.390 2.217 2.166 2.267 . 0 0 "[ . 1 . 2]" 2
130 1 48 PHE HB3 1 49 HIS H . . 3.250 2.221 2.019 2.375 . 0 0 "[ . 1 . 2]" 2
131 1 49 HIS H 1 49 HIS HB3 . . 3.510 3.490 3.434 3.516 0.006 1 0 "[ . 1 . 2]" 2
132 1 49 HIS H 1 52 CYS HB3 . . 4.200 4.111 3.963 4.221 0.021 17 0 "[ . 1 . 2]" 2
133 1 48 PHE HB2 1 49 HIS H . . 3.770 3.432 3.196 3.584 . 0 0 "[ . 1 . 2]" 2
134 1 26 CYS HB2 1 49 HIS H . . 4.000 3.940 3.733 4.016 0.016 14 0 "[ . 1 . 2]" 2
135 1 49 HIS H 1 53 VAL MG1 . . 4.960 4.151 3.877 4.385 . 0 0 "[ . 1 . 2]" 2
136 1 48 PHE QE 1 65 ILE H . . 4.370 4.367 4.302 4.392 0.022 5 0 "[ . 1 . 2]" 2
137 1 65 ILE H 1 65 ILE MG . . 4.250 3.854 3.811 3.875 . 0 0 "[ . 1 . 2]" 2
138 1 65 ILE H 1 66 CYS H . . 3.580 2.429 2.261 2.597 . 0 0 "[ . 1 . 2]" 2
139 1 65 ILE H 1 65 ILE HG13 . . 3.990 2.749 2.616 2.895 . 0 0 "[ . 1 . 2]" 2
140 1 65 ILE H 1 65 ILE HB . . 3.370 2.649 2.576 2.695 . 0 0 "[ . 1 . 2]" 2
141 1 65 ILE H 1 65 ILE HG12 . . 4.040 3.747 3.664 3.955 . 0 0 "[ . 1 . 2]" 2
142 1 12 TYR H 1 39 LEU H . . 4.420 3.387 3.036 3.853 . 0 0 "[ . 1 . 2]" 2
143 1 53 VAL H 1 54 ASP H . . 3.610 2.912 2.824 3.022 . 0 0 "[ . 1 . 2]" 2
144 1 52 CYS HB3 1 53 VAL H . . 3.770 3.043 2.853 3.190 . 0 0 "[ . 1 . 2]" 2
145 1 53 VAL H 1 53 VAL HB . . 3.670 2.322 2.253 2.385 . 0 0 "[ . 1 . 2]" 2
146 1 11 SER HA 1 12 TYR H . . 3.460 2.159 2.138 2.185 . 0 0 "[ . 1 . 2]" 2
147 1 11 SER QB 1 12 TYR H . . 3.730 3.183 2.998 3.659 . 0 0 "[ . 1 . 2]" 2
148 1 57 LEU H 1 58 LYS H . . 3.670 2.837 2.483 2.994 . 0 0 "[ . 1 . 2]" 2
149 1 58 LYS H 1 58 LYS HB2 . . 3.480 2.271 2.161 3.461 . 0 0 "[ . 1 . 2]" 2
150 1 58 LYS H 1 58 LYS HB3 . . 3.480 3.107 2.147 3.510 0.030 13 0 "[ . 1 . 2]" 2
151 1 57 LEU HB3 1 58 LYS H . . 4.040 3.659 3.363 3.922 . 0 0 "[ . 1 . 2]" 2
152 1 58 LYS H 1 58 LYS HG3 . . 4.460 3.672 2.828 4.499 0.039 2 0 "[ . 1 . 2]" 2
153 1 54 ASP HB2 1 55 LYS H . . 4.530 3.525 2.682 4.014 . 0 0 "[ . 1 . 2]" 2
154 1 55 LYS H 1 55 LYS QB . . 3.410 2.244 2.153 2.625 . 0 0 "[ . 1 . 2]" 2
155 1 54 ASP H 1 55 LYS H . . 4.150 2.774 2.520 2.960 . 0 0 "[ . 1 . 2]" 2
156 1 39 LEU HA 1 40 ARG H . . 3.380 2.336 2.203 2.526 . 0 0 "[ . 1 . 2]" 2
157 1 40 ARG H 1 40 ARG HB3 . . 4.060 3.651 3.573 3.739 . 0 0 "[ . 1 . 2]" 2
158 1 40 ARG H 1 40 ARG HG3 . . 4.440 3.997 3.245 4.356 . 0 0 "[ . 1 . 2]" 2
159 1 15 ASN HB3 1 18 ASN H . . 4.660 2.942 2.187 4.421 . 0 0 "[ . 1 . 2]" 2
160 1 59 ALA H 1 60 ASN H . . 2.940 2.470 2.296 2.575 . 0 0 "[ . 1 . 2]" 2
161 1 57 LEU HA 1 59 ALA H . . 4.460 4.342 4.037 4.480 0.020 2 0 "[ . 1 . 2]" 2
162 1 56 TRP HA 1 59 ALA H . . 4.030 3.421 3.300 3.718 . 0 0 "[ . 1 . 2]" 2
163 1 58 LYS HB2 1 59 ALA H . . 4.090 3.266 2.709 4.105 0.015 7 0 "[ . 1 . 2]" 2
164 1 58 LYS HB3 1 59 ALA H . . 4.090 2.922 2.456 3.615 . 0 0 "[ . 1 . 2]" 2
165 1 58 LYS QD 1 59 ALA H . . 5.500 4.625 3.970 5.119 . 0 0 "[ . 1 . 2]" 2
166 1 59 ALA H 1 59 ALA MB . . 3.070 2.185 2.088 2.261 . 0 0 "[ . 1 . 2]" 2
167 1 40 ARG H 1 40 ARG HB2 . . 3.720 2.475 2.337 2.655 . 0 0 "[ . 1 . 2]" 2
168 1 39 LEU HB2 1 40 ARG H . . 3.950 3.564 3.163 3.822 . 0 0 "[ . 1 . 2]" 2
169 1 39 LEU HB3 1 40 ARG H . . 3.950 2.657 2.254 3.041 . 0 0 "[ . 1 . 2]" 2
170 1 57 LEU H 1 57 LEU MD1 . . 3.980 3.537 3.400 3.749 . 0 0 "[ . 1 . 2]" 2
171 1 57 LEU H 1 57 LEU MD2 . . 4.270 3.464 3.035 3.640 . 0 0 "[ . 1 . 2]" 2
172 1 56 TRP HD1 1 57 LEU H . . 4.600 3.127 2.881 3.846 . 0 0 "[ . 1 . 2]" 2
173 1 54 ASP HA 1 57 LEU H . . 4.220 4.056 3.664 4.240 0.020 7 0 "[ . 1 . 2]" 2
174 1 56 TRP HB3 1 57 LEU H . . 3.330 2.310 2.118 2.787 . 0 0 "[ . 1 . 2]" 2
175 1 57 LEU H 1 57 LEU HG . . 3.160 2.286 2.026 2.598 . 0 0 "[ . 1 . 2]" 2
176 1 57 LEU H 1 57 LEU HB2 . . 3.110 2.483 2.331 2.657 . 0 0 "[ . 1 . 2]" 2
177 1 57 LEU H 1 57 LEU HB3 . . 3.730 3.592 3.567 3.602 . 0 0 "[ . 1 . 2]" 2
178 1 53 VAL MG2 1 57 LEU H . . 4.420 3.533 3.329 3.991 . 0 0 "[ . 1 . 2]" 2
179 1 29 CYS H 1 31 CYS H . . 3.860 3.703 3.478 3.875 0.015 12 0 "[ . 1 . 2]" 2
180 1 26 CYS HB3 1 31 CYS H . . 3.440 2.244 1.946 2.440 . 0 0 "[ . 1 . 2]" 2
181 1 31 CYS H 1 31 CYS HB2 . . 3.860 2.888 2.643 3.151 . 0 0 "[ . 1 . 2]" 2
182 1 26 CYS HB2 1 31 CYS H . . 4.320 3.897 3.654 4.136 . 0 0 "[ . 1 . 2]" 2
183 1 25 LEU MD2 1 31 CYS H . . 4.320 3.273 2.682 3.609 . 0 0 "[ . 1 . 2]" 2
184 1 65 ILE H 1 67 ARG H . . 4.020 2.872 2.634 2.980 . 0 0 "[ . 1 . 2]" 2
185 1 67 ARG H 1 67 ARG HA . . 2.790 2.307 2.296 2.321 . 0 0 "[ . 1 . 2]" 2
186 1 64 PRO HA 1 67 ARG H . . 4.400 4.287 4.201 4.410 0.010 6 0 "[ . 1 . 2]" 2
187 1 65 ILE HA 1 67 ARG H . . 4.790 4.179 4.079 4.247 . 0 0 "[ . 1 . 2]" 2
188 1 63 CYS QB 1 67 ARG H . . 3.280 3.124 2.535 3.301 0.021 16 0 "[ . 1 . 2]" 2
189 1 67 ARG H 1 67 ARG HG2 . . 4.650 3.681 2.490 4.513 . 0 0 "[ . 1 . 2]" 2
190 1 67 ARG H 1 67 ARG HG3 . . 4.650 3.387 2.560 4.415 . 0 0 "[ . 1 . 2]" 2
191 1 65 ILE HB 1 67 ARG H . . 4.510 4.291 3.945 4.413 . 0 0 "[ . 1 . 2]" 2
192 1 26 CYS H 1 31 CYS H . . 4.140 3.134 2.782 3.820 . 0 0 "[ . 1 . 2]" 2
193 1 31 CYS H 1 49 HIS HE1 . . 4.870 4.738 4.417 4.885 0.015 14 0 "[ . 1 . 2]" 2
194 1 30 MET HA 1 31 CYS H . . 3.470 2.707 2.616 2.880 . 0 0 "[ . 1 . 2]" 2
195 1 31 CYS H 1 31 CYS HB3 . . 3.860 3.187 2.603 3.851 . 0 0 "[ . 1 . 2]" 2
196 1 51 LYS H 1 52 CYS H . . 3.580 2.447 2.359 2.587 . 0 0 "[ . 1 . 2]" 2
197 1 52 CYS H 1 53 VAL H . . 3.370 3.063 2.881 3.181 . 0 0 "[ . 1 . 2]" 2
198 1 49 HIS HB2 1 52 CYS H . . 3.290 2.718 2.594 2.819 . 0 0 "[ . 1 . 2]" 2
199 1 49 HIS HB3 1 52 CYS H . . 3.530 2.140 2.020 2.229 . 0 0 "[ . 1 . 2]" 2
200 1 52 CYS H 1 52 CYS HB3 . . 3.690 3.590 3.585 3.594 . 0 0 "[ . 1 . 2]" 2
201 1 52 CYS H 1 52 CYS HB2 . . 3.740 2.526 2.452 2.591 . 0 0 "[ . 1 . 2]" 2
202 1 51 LYS HB2 1 52 CYS H . . 3.980 3.459 3.363 3.581 . 0 0 "[ . 1 . 2]" 2
203 1 51 LYS HB3 1 52 CYS H . . 3.980 3.803 3.731 3.876 . 0 0 "[ . 1 . 2]" 2
204 1 51 LYS HG2 1 52 CYS H . . 4.300 2.285 2.045 2.480 . 0 0 "[ . 1 . 2]" 2
205 1 51 LYS HG3 1 52 CYS H . . 4.690 1.920 1.886 2.040 . 0 0 "[ . 1 . 2]" 2
206 1 28 VAL MG1 1 52 CYS H . . 5.260 4.860 4.674 5.046 . 0 0 "[ . 1 . 2]" 2
207 1 52 CYS H 1 53 VAL MG1 . . 5.500 4.141 4.009 4.287 . 0 0 "[ . 1 . 2]" 2
208 1 60 ASN H 1 60 ASN HB2 . . 4.060 2.691 2.489 2.892 . 0 0 "[ . 1 . 2]" 2
209 1 60 ASN H 1 60 ASN HB3 . . 4.060 3.790 3.674 3.850 . 0 0 "[ . 1 . 2]" 2
210 1 44 CYS HA 1 45 ASN H . . 3.200 3.082 2.990 3.152 . 0 0 "[ . 1 . 2]" 2
211 1 45 ASN H 1 45 ASN HA . . 2.700 2.280 2.273 2.286 . 0 0 "[ . 1 . 2]" 2
212 1 41 VAL MG1 1 45 ASN H . . 3.780 3.503 3.399 3.579 . 0 0 "[ . 1 . 2]" 2
213 1 59 ALA MB 1 60 ASN HD21 . . 4.760 2.787 1.872 4.583 . 0 0 "[ . 1 . 2]" 2
214 1 34 GLU HA 1 35 SER H . . 3.450 2.504 2.212 3.559 0.109 16 0 "[ . 1 . 2]" 2
215 1 35 SER H 1 35 SER QB . . 3.520 2.527 2.203 3.299 . 0 0 "[ . 1 . 2]" 2
216 1 29 CYS H 1 30 MET H . . 2.920 2.609 2.378 2.724 . 0 0 "[ . 1 . 2]" 2
217 1 29 CYS H 1 30 MET HA . . 4.640 4.542 4.438 4.603 . 0 0 "[ . 1 . 2]" 2
218 1 29 CYS H 1 29 CYS HB2 . . 3.870 3.693 3.657 3.735 . 0 0 "[ . 1 . 2]" 2
219 1 29 CYS H 1 29 CYS HB3 . . 3.870 2.809 2.720 2.887 . 0 0 "[ . 1 . 2]" 2
220 1 29 CYS H 1 52 CYS HB2 . . 4.880 4.750 4.591 4.868 . 0 0 "[ . 1 . 2]" 2
221 1 28 VAL HB 1 29 CYS H . . 3.120 2.029 1.936 2.129 . 0 0 "[ . 1 . 2]" 2
222 1 28 VAL MG1 1 29 CYS H . . 3.750 3.099 2.957 3.310 . 0 0 "[ . 1 . 2]" 2
223 1 28 VAL MG2 1 29 CYS H . . 4.080 3.557 3.482 3.613 . 0 0 "[ . 1 . 2]" 2
224 1 49 HIS HB2 1 51 LYS H . . 4.620 3.959 3.821 4.161 . 0 0 "[ . 1 . 2]" 2
225 1 50 ALA H 1 51 LYS H . . 3.800 2.867 2.735 2.958 . 0 0 "[ . 1 . 2]" 2
226 1 49 HIS HB3 1 51 LYS H . . 3.850 2.504 2.387 2.700 . 0 0 "[ . 1 . 2]" 2
227 1 51 LYS H 1 51 LYS HB2 . . 3.810 3.630 3.608 3.648 . 0 0 "[ . 1 . 2]" 2
228 1 51 LYS H 1 51 LYS HB3 . . 3.810 2.790 2.718 2.840 . 0 0 "[ . 1 . 2]" 2
229 1 51 LYS H 1 51 LYS HG2 . . 4.260 1.910 1.885 2.021 . 0 0 "[ . 1 . 2]" 2
230 1 51 LYS H 1 51 LYS HG3 . . 3.990 3.132 3.008 3.266 . 0 0 "[ . 1 . 2]" 2
231 1 50 ALA MB 1 51 LYS H . . 3.540 2.866 2.742 2.948 . 0 0 "[ . 1 . 2]" 2
232 1 10 PRO HA 1 11 SER H . . 2.780 2.185 2.151 2.509 . 0 0 "[ . 1 . 2]" 2
233 1 11 SER H 1 11 SER QB . . 3.570 2.649 2.312 2.991 . 0 0 "[ . 1 . 2]" 2
234 1 10 PRO HB2 1 11 SER H . . 4.190 3.455 2.352 3.818 . 0 0 "[ . 1 . 2]" 2
235 1 10 PRO HB3 1 11 SER H . . 4.190 3.957 3.326 4.200 0.010 5 0 "[ . 1 . 2]" 2
236 1 17 ASN H 1 18 ASN H . . 3.560 2.340 2.030 2.814 . 0 0 "[ . 1 . 2]" 2
237 1 16 PRO HD2 1 17 ASN H . . 4.920 2.974 2.650 3.196 . 0 0 "[ . 1 . 2]" 2
238 1 17 ASN H 1 17 ASN HB3 . . 4.030 3.131 2.362 3.770 . 0 0 "[ . 1 . 2]" 2
239 1 17 ASN H 1 17 ASN HB2 . . 4.030 2.653 2.246 3.681 . 0 0 "[ . 1 . 2]" 2
240 1 44 CYS H 1 45 ASN H . . 3.110 2.396 2.264 2.540 . 0 0 "[ . 1 . 2]" 2
241 1 44 CYS H 1 45 ASN HA . . 4.660 4.518 4.437 4.574 . 0 0 "[ . 1 . 2]" 2
242 1 43 PRO HD2 1 44 CYS H . . 3.780 3.104 3.051 3.180 . 0 0 "[ . 1 . 2]" 2
243 1 43 PRO HD3 1 44 CYS H . . 4.250 4.083 4.056 4.124 . 0 0 "[ . 1 . 2]" 2
244 1 44 CYS H 1 44 CYS HB2 . . 3.770 3.632 3.594 3.654 . 0 0 "[ . 1 . 2]" 2
245 1 44 CYS H 1 44 CYS HB3 . . 3.770 3.223 3.121 3.331 . 0 0 "[ . 1 . 2]" 2
246 1 42 LEU HB3 1 44 CYS H . . 3.290 2.419 2.392 2.475 . 0 0 "[ . 1 . 2]" 2
247 1 42 LEU HB2 1 44 CYS H . . 3.390 3.053 3.037 3.083 . 0 0 "[ . 1 . 2]" 2
248 1 43 PRO HG2 1 44 CYS H . . 3.590 3.450 3.380 3.547 . 0 0 "[ . 1 . 2]" 2
249 1 44 CYS H 1 68 ALA MB . . 5.360 4.822 4.577 5.381 0.021 6 0 "[ . 1 . 2]" 2
250 1 42 LEU MD2 1 44 CYS H . . 4.410 4.248 4.197 4.309 . 0 0 "[ . 1 . 2]" 2
251 1 40 ARG H 1 48 PHE H . . 3.590 3.160 2.598 3.488 . 0 0 "[ . 1 . 2]" 2
252 1 48 PHE H 1 48 PHE QD . . 3.600 3.314 3.205 3.400 . 0 0 "[ . 1 . 2]" 2
253 1 47 GLU HA 1 48 PHE H . . 2.920 2.238 2.220 2.252 . 0 0 "[ . 1 . 2]" 2
254 1 41 VAL HA 1 48 PHE H . . 4.160 3.307 3.063 3.645 . 0 0 "[ . 1 . 2]" 2
255 1 48 PHE H 1 48 PHE HB2 . . 3.680 2.884 2.863 2.904 . 0 0 "[ . 1 . 2]" 2
256 1 47 GLU HB3 1 48 PHE H . . 3.490 2.885 2.841 2.938 . 0 0 "[ . 1 . 2]" 2
257 1 41 VAL MG2 1 48 PHE H . . 4.250 3.610 3.324 3.952 . 0 0 "[ . 1 . 2]" 2
258 1 23 GLN H 1 23 GLN HE21 . . 5.500 4.210 3.599 4.965 . 0 0 "[ . 1 . 2]" 2
259 1 23 GLN HE21 1 24 THR H . . 5.500 4.683 3.145 5.431 . 0 0 "[ . 1 . 2]" 2
260 1 23 GLN HE21 1 23 GLN HG2 . . 3.550 3.298 3.178 3.525 . 0 0 "[ . 1 . 2]" 2
261 1 23 GLN HE21 1 23 GLN HG3 . . 3.310 2.160 2.118 2.363 . 0 0 "[ . 1 . 2]" 2
262 1 23 GLN HB3 1 23 GLN HE21 . . 4.780 4.397 3.960 4.535 . 0 0 "[ . 1 . 2]" 2
263 1 23 GLN HB2 1 23 GLN HE21 . . 4.130 3.735 2.629 4.142 0.012 16 0 "[ . 1 . 2]" 2
264 1 23 GLN HE22 1 46 HIS HA . . 4.640 4.251 3.592 4.653 0.013 10 0 "[ . 1 . 2]" 2
265 1 23 GLN HE22 1 23 GLN HG3 . . 3.820 3.454 3.438 3.534 . 0 0 "[ . 1 . 2]" 2
266 1 23 GLN HB2 1 23 GLN HE22 . . 4.450 4.126 3.541 4.359 . 0 0 "[ . 1 . 2]" 2
267 1 23 GLN HA 1 24 THR H . . 3.400 2.675 2.139 3.351 . 0 0 "[ . 1 . 2]" 2
268 1 23 GLN HB2 1 24 THR H . . 4.740 4.192 3.390 4.539 . 0 0 "[ . 1 . 2]" 2
269 1 24 THR H 1 24 THR MG . . 3.860 2.275 1.843 3.117 . 0 0 "[ . 1 . 2]" 2
270 1 69 ASP HA 1 71 GLY H . . 4.050 3.973 3.615 4.064 0.014 6 0 "[ . 1 . 2]" 2
271 1 71 GLY H 1 72 PRO QD . . 4.850 3.951 2.371 4.361 . 0 0 "[ . 1 . 2]" 2
272 1 60 ASN HB2 1 62 THR H . . 4.410 3.458 3.027 3.719 . 0 0 "[ . 1 . 2]" 2
273 1 62 THR H 1 62 THR MG . . 3.940 3.151 2.865 3.496 . 0 0 "[ . 1 . 2]" 2
274 1 50 ALA H 1 53 VAL MG1 . . 5.500 4.109 3.793 4.334 . 0 0 "[ . 1 . 2]" 2
275 1 40 ARG HB2 1 50 ALA H . . 4.710 4.161 3.693 4.375 . 0 0 "[ . 1 . 2]" 2
276 1 40 ARG HG3 1 50 ALA H . . 5.290 4.620 3.689 5.305 0.015 11 0 "[ . 1 . 2]" 2
277 1 50 ALA H 1 51 LYS HG2 . . 5.500 4.156 4.019 4.227 . 0 0 "[ . 1 . 2]" 2
278 1 38 LEU HB3 1 50 ALA H . . 4.710 4.485 4.053 4.724 0.014 9 0 "[ . 1 . 2]" 2
279 1 49 HIS HD2 1 50 ALA H . . 4.870 3.559 3.293 3.708 . 0 0 "[ . 1 . 2]" 2
280 1 39 LEU MD2 1 49 HIS H . . 5.150 4.484 4.178 4.768 . 0 0 "[ . 1 . 2]" 2
281 1 49 HIS H 1 52 CYS HB2 . . 4.980 2.622 2.506 2.719 . 0 0 "[ . 1 . 2]" 2
282 1 49 HIS H 1 53 VAL HB . . 4.250 3.528 3.338 3.722 . 0 0 "[ . 1 . 2]" 2
283 1 49 HIS H 1 50 ALA H . . 5.500 4.447 4.354 4.554 . 0 0 "[ . 1 . 2]" 2
284 1 33 PHE QE 1 48 PHE H . . 5.230 3.919 3.749 4.163 . 0 0 "[ . 1 . 2]" 2
285 1 33 PHE HZ 1 48 PHE H . . 5.480 3.749 3.186 4.204 . 0 0 "[ . 1 . 2]" 2
286 1 23 GLN HE21 1 47 GLU H . . 5.390 4.288 3.829 4.997 . 0 0 "[ . 1 . 2]" 2
287 1 46 HIS H 1 65 ILE MD . . 5.500 5.472 5.367 5.554 0.054 6 0 "[ . 1 . 2]" 2
288 1 43 PRO HB2 1 45 ASN H . . 5.430 5.207 5.138 5.294 . 0 0 "[ . 1 . 2]" 2
289 1 42 LEU HB2 1 45 ASN H . . 4.630 4.289 4.046 4.549 . 0 0 "[ . 1 . 2]" 2
290 1 42 LEU HB3 1 45 ASN H . . 4.890 4.482 4.299 4.699 . 0 0 "[ . 1 . 2]" 2
291 1 44 CYS HB3 1 45 ASN H . . 5.500 4.594 4.556 4.647 . 0 0 "[ . 1 . 2]" 2
292 1 42 LEU H 1 48 PHE HZ . . 5.500 5.535 5.514 5.550 0.050 10 0 "[ . 1 . 2]" 2
293 1 42 LEU H 1 48 PHE QD . . 4.840 2.440 2.274 2.695 . 0 0 "[ . 1 . 2]" 2
294 1 42 LEU H 1 46 HIS H . . 4.730 3.212 2.987 3.394 . 0 0 "[ . 1 . 2]" 2
295 1 39 LEU MD2 1 40 ARG H . . 4.640 3.731 3.539 3.992 . 0 0 "[ . 1 . 2]" 2
296 1 40 ARG H 1 50 ALA HA . . 4.940 3.646 3.218 4.464 . 0 0 "[ . 1 . 2]" 2
297 1 14 PHE QD 1 37 GLN H . . 5.200 4.927 4.318 5.241 0.041 20 0 "[ . 1 . 2]" 2
298 1 14 PHE QD 1 36 ARG H . . 4.780 4.036 3.076 4.809 0.029 13 0 "[ . 1 . 2]" 2
299 1 34 GLU H 1 37 GLN HB3 . . 5.290 4.479 3.554 4.958 . 0 0 "[ . 1 . 2]" 2
300 1 33 PHE QD 1 34 GLU H . . 4.630 4.264 3.725 4.593 . 0 0 "[ . 1 . 2]" 2
301 1 33 PHE H 1 33 PHE QD . . 4.640 2.753 2.343 3.342 . 0 0 "[ . 1 . 2]" 2
302 1 25 LEU MD2 1 32 ASP H . . 5.500 5.282 4.629 5.500 . 17 0 "[ . 1 . 2]" 2
303 1 25 LEU HG 1 31 CYS H . . 4.870 3.600 3.075 3.929 . 0 0 "[ . 1 . 2]" 2
304 1 30 MET HB2 1 31 CYS H . . 4.810 4.318 4.154 4.413 . 0 0 "[ . 1 . 2]" 2
305 1 30 MET HB3 1 31 CYS H . . 5.200 4.405 4.350 4.466 . 0 0 "[ . 1 . 2]" 2
306 1 30 MET H 1 31 CYS H . . 3.170 3.068 2.864 3.160 . 0 0 "[ . 1 . 2]" 2
307 1 27 VAL MG1 1 30 MET H . . 5.120 4.616 4.519 4.750 . 0 0 "[ . 1 . 2]" 2
308 1 27 VAL MG2 1 30 MET H . . 5.500 4.656 4.525 4.781 . 0 0 "[ . 1 . 2]" 2
309 1 26 CYS HB3 1 30 MET H . . 4.490 4.005 3.589 4.221 . 0 0 "[ . 1 . 2]" 2
310 1 29 CYS H 1 30 MET HG2 . . 5.100 5.027 4.888 5.130 0.030 13 0 "[ . 1 . 2]" 2
311 1 27 VAL H 1 33 PHE HZ . . 4.860 4.323 3.812 4.870 0.010 16 0 "[ . 1 . 2]" 2
312 1 26 CYS H 1 33 PHE QD . . 4.840 4.587 3.969 4.878 0.038 19 0 "[ . 1 . 2]" 2
313 1 25 LEU H 1 26 CYS H . . 5.360 4.368 4.303 4.404 . 0 0 "[ . 1 . 2]" 2
314 1 26 CYS H 1 33 PHE H . . 5.000 4.218 3.280 4.858 . 0 0 "[ . 1 . 2]" 2
315 1 26 CYS H 1 27 VAL H . . 5.290 4.150 3.929 4.367 . 0 0 "[ . 1 . 2]" 2
316 1 23 GLN HB2 1 25 LEU H . . 5.500 5.101 4.782 5.551 0.051 10 0 "[ . 1 . 2]" 2
317 1 23 GLN HG3 1 25 LEU H . . 5.500 5.134 4.502 5.523 0.023 19 0 "[ . 1 . 2]" 2
318 1 15 ASN HB2 1 18 ASN H . . 4.660 3.432 2.482 4.277 . 0 0 "[ . 1 . 2]" 2
319 1 15 ASN H 1 18 ASN H . . 5.440 5.017 4.443 5.437 . 0 0 "[ . 1 . 2]" 2
320 1 12 TYR QE 1 15 ASN H . . 4.410 3.506 2.065 4.337 . 0 0 "[ . 1 . 2]" 2
321 1 14 PHE QD 1 15 ASN H . . 4.170 3.265 2.776 3.772 . 0 0 "[ . 1 . 2]" 2
322 1 14 PHE H 1 39 LEU HG . . 4.070 3.203 2.638 3.818 . 0 0 "[ . 1 . 2]" 2
323 1 12 TYR QD 1 14 PHE H . . 5.100 4.324 3.669 5.111 0.011 12 0 "[ . 1 . 2]" 2
324 1 14 PHE H 1 14 PHE QD . . 5.340 4.156 4.007 4.190 . 0 0 "[ . 1 . 2]" 2
325 1 11 SER H 1 12 TYR H . . 4.740 4.440 4.115 4.517 . 0 0 "[ . 1 . 2]" 2
326 1 9 LEU H 1 9 LEU MD1 . . 4.020 3.402 2.040 3.707 . 0 0 "[ . 1 . 2]" 2
327 1 9 LEU H 1 9 LEU MD2 . . 4.010 3.651 3.365 4.066 0.056 13 0 "[ . 1 . 2]" 2
328 1 8 GLN QG 1 9 LEU H . . 4.730 4.070 3.299 4.726 . 0 0 "[ . 1 . 2]" 2
329 1 9 LEU H 1 40 ARG HD3 . . 5.500 4.904 4.080 5.447 . 0 0 "[ . 1 . 2]" 2
330 1 9 LEU H 1 10 PRO QD . . 4.840 4.340 4.295 4.377 . 0 0 "[ . 1 . 2]" 2
331 1 54 ASP HB3 1 55 LYS H . . 4.530 2.683 2.195 3.418 . 0 0 "[ . 1 . 2]" 2
332 1 28 VAL MG1 1 56 TRP H . . 4.900 3.973 3.712 4.165 . 0 0 "[ . 1 . 2]" 2
333 1 57 LEU MD1 1 58 LYS H . . 5.500 4.578 4.340 4.841 . 0 0 "[ . 1 . 2]" 2
334 1 57 LEU MD2 1 58 LYS H . . 5.500 4.737 4.681 4.798 . 0 0 "[ . 1 . 2]" 2
335 1 58 LYS H 1 59 ALA H . . 3.260 2.720 2.596 2.868 . 0 0 "[ . 1 . 2]" 2
336 1 60 ASN H 1 61 ARG H . . 4.260 4.217 4.143 4.298 0.038 20 0 "[ . 1 . 2]" 2
337 1 60 ASN HB3 1 62 THR H . . 4.410 3.073 2.690 3.693 . 0 0 "[ . 1 . 2]" 2
338 1 57 LEU MD2 1 62 THR H . . 4.330 3.398 3.071 3.802 . 0 0 "[ . 1 . 2]" 2
339 1 61 ARG H 1 62 THR H . . 4.410 3.275 3.001 3.461 . 0 0 "[ . 1 . 2]" 2
340 1 63 CYS H 1 67 ARG H . . 4.680 4.322 3.846 4.550 . 0 0 "[ . 1 . 2]" 2
341 1 63 CYS H 1 68 ALA H . . 3.930 3.098 2.821 3.525 . 0 0 "[ . 1 . 2]" 2
342 1 63 CYS H 1 68 ALA MB . . 5.040 3.908 3.478 4.604 . 0 0 "[ . 1 . 2]" 2
343 1 63 CYS QB 1 65 ILE H . . 4.500 3.191 3.154 3.266 . 0 0 "[ . 1 . 2]" 2
344 1 64 PRO HD2 1 65 ILE H . . 4.470 3.175 3.094 3.220 . 0 0 "[ . 1 . 2]" 2
345 1 48 PHE HZ 1 65 ILE H . . 4.410 3.698 3.594 3.800 . 0 0 "[ . 1 . 2]" 2
346 1 66 CYS H 1 67 ARG H . . 2.990 2.536 2.322 2.684 . 0 0 "[ . 1 . 2]" 2
347 1 66 CYS HB3 1 67 ARG H . . 4.680 4.530 4.380 4.558 . 0 0 "[ . 1 . 2]" 2
348 1 66 CYS HB2 1 67 ARG H . . 4.680 4.450 4.357 4.470 . 0 0 "[ . 1 . 2]" 2
349 1 69 ASP HB2 1 70 SER H . . 4.640 4.288 3.600 4.552 . 0 0 "[ . 1 . 2]" 2
350 1 22 GLU H 1 23 GLN H . . 3.570 2.333 1.773 3.070 . 0 0 "[ . 1 . 2]" 2
351 1 43 PRO HG3 1 71 GLY H . . 5.210 4.932 3.990 5.235 0.025 3 0 "[ . 1 . 2]" 2
352 1 56 TRP HE1 1 64 PRO HG3 . . 5.200 4.024 3.677 4.377 . 0 0 "[ . 1 . 2]" 2
353 1 56 TRP HE1 1 64 PRO HG2 . . 5.200 4.944 4.692 5.183 . 0 0 "[ . 1 . 2]" 2
354 1 56 TRP HE1 1 63 CYS HA . . 4.660 3.373 3.132 3.559 . 0 0 "[ . 1 . 2]" 2
355 1 65 ILE HG13 1 66 CYS H . . 4.870 3.998 3.939 4.175 . 0 0 "[ . 1 . 2]" 2
356 1 63 CYS H 1 69 ASP HA . . 4.580 3.832 3.534 4.179 . 0 0 "[ . 1 . 2]" 2
357 1 58 LYS H 1 60 ASN H . . 4.530 4.178 4.005 4.351 . 0 0 "[ . 1 . 2]" 2
358 1 55 LYS H 1 57 LEU H . . 5.500 4.443 3.969 4.686 . 0 0 "[ . 1 . 2]" 2
359 1 57 LEU H 1 59 ALA H . . 5.500 4.426 4.220 4.579 . 0 0 "[ . 1 . 2]" 2
360 1 54 ASP HA 1 58 LYS H . . 4.950 4.623 4.240 4.943 . 0 0 "[ . 1 . 2]" 2
361 1 55 LYS QD 1 56 TRP H . . 5.360 4.504 2.831 5.177 . 0 0 "[ . 1 . 2]" 2
362 1 55 LYS HG2 1 56 TRP H . . 5.500 4.308 3.409 5.233 . 0 0 "[ . 1 . 2]" 2
363 1 55 LYS HG3 1 56 TRP H . . 5.500 4.819 4.501 5.009 . 0 0 "[ . 1 . 2]" 2
364 1 56 TRP H 1 58 LYS H . . 4.540 4.056 3.907 4.356 . 0 0 "[ . 1 . 2]" 2
365 1 56 TRP HE1 1 64 PRO HB2 . . 5.070 4.945 4.735 5.090 0.020 19 0 "[ . 1 . 2]" 2
366 1 51 LYS HA 1 54 ASP H . . 5.190 3.843 3.682 3.999 . 0 0 "[ . 1 . 2]" 2
367 1 49 HIS HA 1 51 LYS H . . 4.360 3.709 3.586 3.807 . 0 0 "[ . 1 . 2]" 2
368 1 40 ARG H 1 49 HIS HA . . 3.970 3.567 3.331 3.967 . 0 0 "[ . 1 . 2]" 2
369 1 35 SER HA 1 37 GLN H . . 4.760 4.034 3.547 4.772 0.012 9 0 "[ . 1 . 2]" 2
370 1 34 GLU HB2 1 37 GLN HE21 . . 5.220 3.091 2.047 4.656 . 0 0 "[ . 1 . 2]" 2
371 1 34 GLU QG 1 37 GLN HE21 . . 5.500 3.813 2.380 4.883 . 0 0 "[ . 1 . 2]" 2
372 1 34 GLU QG 1 37 GLN HE22 . . 5.500 4.558 2.235 5.518 0.018 13 0 "[ . 1 . 2]" 2
373 1 26 CYS HB2 1 27 VAL H . . 4.740 4.527 4.439 4.599 . 0 0 "[ . 1 . 2]" 2
374 1 21 SER HB3 1 23 GLN H . . 4.150 3.586 2.484 4.176 0.026 10 0 "[ . 1 . 2]" 2
375 1 12 TYR HB2 1 13 ARG H . . 4.320 2.828 2.641 2.999 . 0 0 "[ . 1 . 2]" 2
376 1 14 PHE H 1 39 LEU MD1 . . 5.090 3.039 2.452 3.610 . 0 0 "[ . 1 . 2]" 2
377 1 14 PHE H 1 15 ASN H . . 4.740 4.592 4.474 4.649 . 0 0 "[ . 1 . 2]" 2
378 1 16 PRO HD3 1 17 ASN H . . 4.920 4.015 3.836 4.133 . 0 0 "[ . 1 . 2]" 2
379 1 26 CYS HB2 1 29 CYS H . . 4.870 4.475 4.368 4.545 . 0 0 "[ . 1 . 2]" 2
380 1 46 HIS HE1 1 66 CYS HB2 . . 3.830 3.642 3.525 3.798 . 0 0 "[ . 1 . 2]" 2
381 1 46 HIS HE1 1 66 CYS HB3 . . 3.830 2.075 1.992 2.270 . 0 0 "[ . 1 . 2]" 2
382 1 46 HIS HE1 1 65 ILE MG . . 3.960 2.633 2.303 2.962 . 0 0 "[ . 1 . 2]" 2
383 1 26 CYS HB3 1 49 HIS HE1 . . 3.800 3.711 3.525 3.837 0.037 19 0 "[ . 1 . 2]" 2
384 1 42 LEU MD2 1 48 PHE QD . . 3.910 3.537 3.456 3.610 . 0 0 "[ . 1 . 2]" 2
385 1 42 LEU MD1 1 48 PHE QD . . 4.190 3.241 3.109 3.470 . 0 0 "[ . 1 . 2]" 2
386 1 14 PHE QE 1 35 SER HA . . 4.550 3.770 2.855 4.293 . 0 0 "[ . 1 . 2]" 2
387 1 48 PHE HZ 1 65 ILE HB . . 3.550 3.000 2.787 3.107 . 0 0 "[ . 1 . 2]" 2
388 1 27 VAL MG1 1 48 PHE HZ . . 3.510 3.432 3.285 3.527 0.017 2 0 "[ . 1 . 2]" 2
389 1 33 PHE HZ 1 47 GLU HG2 . . 5.500 5.292 4.972 5.548 0.048 9 0 "[ . 1 . 2]" 2
390 1 26 CYS HB2 1 33 PHE HZ . . 3.920 3.431 3.031 3.686 . 0 0 "[ . 1 . 2]" 2
391 1 33 PHE HA 1 33 PHE QD . . 4.110 2.679 2.265 3.022 . 0 0 "[ . 1 . 2]" 2
392 1 56 TRP HB3 1 56 TRP HD1 . . 3.760 2.624 2.582 2.663 . 0 0 "[ . 1 . 2]" 2
393 1 56 TRP HD1 1 57 LEU HG . . 3.720 3.184 2.989 3.490 . 0 0 "[ . 1 . 2]" 2
394 1 56 TRP HD1 1 57 LEU MD2 . . 3.410 2.845 2.382 3.050 . 0 0 "[ . 1 . 2]" 2
395 1 56 TRP HB2 1 56 TRP HE3 . . 3.490 2.646 2.575 2.747 . 0 0 "[ . 1 . 2]" 2
396 1 28 VAL MG1 1 56 TRP HE3 . . 3.940 3.462 3.187 3.736 . 0 0 "[ . 1 . 2]" 2
397 1 46 HIS HA 1 46 HIS HD2 . . 4.010 2.262 2.221 2.311 . 0 0 "[ . 1 . 2]" 2
398 1 46 HIS HD2 1 65 ILE MD . . 4.200 3.334 3.163 3.696 . 0 0 "[ . 1 . 2]" 2
399 1 49 HIS HA 1 49 HIS HD2 . . 4.170 2.382 2.191 2.566 . 0 0 "[ . 1 . 2]" 2
400 1 39 LEU MD2 1 49 HIS HD2 . . 3.800 1.971 1.827 2.295 . 0 0 "[ . 1 . 2]" 2
401 1 41 VAL HA 1 47 GLU HA . . 3.580 2.312 2.168 2.413 . 0 0 "[ . 1 . 2]" 2
402 1 47 GLU HA 1 47 GLU HG2 . . 3.990 3.043 2.356 3.797 . 0 0 "[ . 1 . 2]" 2
403 1 47 GLU HA 1 48 PHE QD . . 4.430 3.517 3.375 3.630 . 0 0 "[ . 1 . 2]" 2
404 1 47 GLU HA 1 47 GLU HG3 . . 3.990 3.001 2.552 3.568 . 0 0 "[ . 1 . 2]" 2
405 1 41 VAL MG2 1 47 GLU HA . . 4.110 2.599 2.084 2.862 . 0 0 "[ . 1 . 2]" 2
406 1 12 TYR QE 1 39 LEU MD1 . . 4.040 3.577 2.819 4.053 0.013 9 0 "[ . 1 . 2]" 2
407 1 56 TRP HZ2 1 64 PRO HA . . 3.820 2.501 2.322 2.709 . 0 0 "[ . 1 . 2]" 2
408 1 48 PHE HB3 1 53 VAL HB . . 3.550 2.143 2.005 2.245 . 0 0 "[ . 1 . 2]" 2
409 1 48 PHE HB3 1 53 VAL MG2 . . 4.430 3.302 2.779 3.509 . 0 0 "[ . 1 . 2]" 2
410 1 48 PHE HB2 1 53 VAL HB . . 3.480 2.464 2.190 2.659 . 0 0 "[ . 1 . 2]" 2
411 1 48 PHE HB2 1 53 VAL MG2 . . 4.350 2.990 2.673 3.237 . 0 0 "[ . 1 . 2]" 2
412 1 65 ILE H 1 65 ILE MD . . 4.560 4.088 4.000 4.180 . 0 0 "[ . 1 . 2]" 2
413 1 23 GLN HE21 1 65 ILE MD . . 5.170 5.110 4.887 5.203 0.033 17 0 "[ . 1 . 2]" 2
414 1 48 PHE QE 1 65 ILE MD . . 3.450 2.377 2.123 2.678 . 0 0 "[ . 1 . 2]" 2
415 1 48 PHE HZ 1 65 ILE MD . . 3.340 1.976 1.899 2.085 . 0 0 "[ . 1 . 2]" 2
416 1 23 GLN HE22 1 65 ILE MD . . 4.680 4.132 3.767 4.696 0.016 14 0 "[ . 1 . 2]" 2
417 1 65 ILE HA 1 65 ILE MD . . 4.190 3.781 3.746 3.828 . 0 0 "[ . 1 . 2]" 2
418 1 46 HIS HB2 1 65 ILE MD . . 4.090 3.496 3.291 3.706 . 0 0 "[ . 1 . 2]" 2
419 1 46 HIS HB3 1 65 ILE MD . . 3.600 2.299 2.119 2.498 . 0 0 "[ . 1 . 2]" 2
420 1 25 LEU HB3 1 26 CYS H . . 4.360 3.909 3.782 4.099 . 0 0 "[ . 1 . 2]" 2
421 1 36 ARG HB2 1 36 ARG QD . . 3.730 2.588 2.137 3.371 . 0 0 "[ . 1 . 2]" 2
422 1 36 ARG HB3 1 36 ARG QD . . 3.730 2.665 2.087 3.507 . 0 0 "[ . 1 . 2]" 2
423 1 9 LEU MD1 1 40 ARG HD2 . . 3.840 2.328 1.966 3.148 . 0 0 "[ . 1 . 2]" 2
424 1 9 LEU QB 1 40 ARG HD2 . . 3.370 2.638 1.892 3.374 0.004 1 0 "[ . 1 . 2]" 2
425 1 9 LEU QB 1 40 ARG HD3 . . 3.370 2.612 1.953 3.330 . 0 0 "[ . 1 . 2]" 2
426 1 9 LEU MD1 1 40 ARG HD3 . . 3.840 3.060 2.068 3.753 . 0 0 "[ . 1 . 2]" 2
427 1 55 LYS HA 1 55 LYS QE . . 5.500 4.361 2.910 5.051 . 0 0 "[ . 1 . 2]" 2
428 1 55 LYS HA 1 58 LYS QE . . 5.500 4.296 1.957 5.512 0.012 15 0 "[ . 1 . 2]" 2
429 1 55 LYS QB 1 55 LYS QE . . 4.380 3.061 1.974 3.776 . 0 0 "[ . 1 . 2]" 2
430 1 42 LEU HB3 1 42 LEU MD2 . . 3.560 2.398 2.360 2.468 . 0 0 "[ . 1 . 2]" 2
431 1 42 LEU HB2 1 43 PRO HD2 . . 3.780 3.585 3.552 3.601 . 0 0 "[ . 1 . 2]" 2
432 1 42 LEU HB2 1 43 PRO HD3 . . 4.840 4.673 4.652 4.684 . 0 0 "[ . 1 . 2]" 2
433 1 57 LEU HB2 1 57 LEU HG . . 2.870 2.504 2.451 2.557 . 0 0 "[ . 1 . 2]" 2
434 1 57 LEU HB2 1 57 LEU MD1 . . 3.230 2.240 2.113 2.351 . 0 0 "[ . 1 . 2]" 2
435 1 57 LEU HB2 1 58 LYS H . . 4.340 2.760 2.483 3.008 . 0 0 "[ . 1 . 2]" 2
436 1 57 LEU HB3 1 61 ARG HA . . 4.150 3.726 3.395 3.994 . 0 0 "[ . 1 . 2]" 2
437 1 9 LEU QB 1 10 PRO QD . . 3.370 2.029 1.968 2.163 . 0 0 "[ . 1 . 2]" 2
438 1 9 LEU QB 1 9 LEU HG . . 2.550 2.416 2.356 2.495 . 0 0 "[ . 1 . 2]" 2
439 1 9 LEU QB 1 9 LEU MD2 . . 2.960 2.208 2.075 2.305 . 0 0 "[ . 1 . 2]" 2
440 1 9 LEU QB 1 9 LEU MD1 . . 2.950 2.049 1.951 2.099 . 0 0 "[ . 1 . 2]" 2
441 1 32 ASP HB2 1 33 PHE H . . 4.520 3.573 2.181 4.498 . 0 0 "[ . 1 . 2]" 2
442 1 62 THR HB 1 67 ARG HB2 . . 5.440 4.925 3.275 5.446 0.006 1 0 "[ . 1 . 2]" 2
443 1 54 ASP H 1 54 ASP HB2 . . 3.900 2.439 2.179 2.885 . 0 0 "[ . 1 . 2]" 2
444 1 54 ASP H 1 54 ASP HB3 . . 3.900 2.804 2.225 3.523 . 0 0 "[ . 1 . 2]" 2
445 1 14 PHE HB2 1 39 LEU MD1 . . 4.360 1.844 1.752 1.965 . 0 0 "[ . 1 . 2]" 2
446 1 14 PHE HB3 1 39 LEU MD1 . . 4.360 2.932 1.964 3.388 . 0 0 "[ . 1 . 2]" 2
447 1 41 VAL MG1 1 45 ASN HB3 . . 5.320 4.905 4.599 5.306 . 0 0 "[ . 1 . 2]" 2
448 1 22 GLU HA 1 22 GLU HG2 . . 4.180 3.738 2.767 4.204 0.024 14 0 "[ . 1 . 2]" 2
449 1 22 GLU HA 1 22 GLU HG3 . . 4.180 3.774 3.609 4.186 0.006 13 0 "[ . 1 . 2]" 2
450 1 34 GLU HA 1 34 GLU QG . . 3.750 2.481 2.145 2.878 . 0 0 "[ . 1 . 2]" 2
451 1 23 GLN HB3 1 23 GLN HG3 . . 2.970 2.741 2.636 2.957 . 0 0 "[ . 1 . 2]" 2
452 1 37 GLN HA 1 37 GLN HG2 . . 4.070 2.686 2.391 3.175 . 0 0 "[ . 1 . 2]" 2
453 1 37 GLN HA 1 37 GLN HG3 . . 4.070 3.623 3.207 3.846 . 0 0 "[ . 1 . 2]" 2
454 1 23 GLN H 1 23 GLN HG2 . . 5.190 3.139 2.351 3.614 . 0 0 "[ . 1 . 2]" 2
455 1 34 GLU H 1 37 GLN HG3 . . 5.500 3.491 2.680 4.184 . 0 0 "[ . 1 . 2]" 2
456 1 23 GLN HA 1 23 GLN HG2 . . 4.250 4.141 3.888 4.235 . 0 0 "[ . 1 . 2]" 2
457 1 23 GLN HG3 1 24 THR H . . 5.230 4.017 2.689 4.606 . 0 0 "[ . 1 . 2]" 2
458 1 11 SER QB 1 38 LEU HG . . 3.730 3.378 2.803 3.728 . 0 0 "[ . 1 . 2]" 2
459 1 11 SER QB 1 38 LEU MD1 . . 3.600 2.242 1.763 3.537 . 0 0 "[ . 1 . 2]" 2
460 1 33 PHE QE 1 47 GLU HB3 . . 4.350 2.856 2.007 3.557 . 0 0 "[ . 1 . 2]" 2
461 1 33 PHE HZ 1 47 GLU HB3 . . 4.800 3.309 2.968 3.743 . 0 0 "[ . 1 . 2]" 2
462 1 41 VAL MG2 1 47 GLU HB2 . . 4.920 4.511 4.078 4.700 . 0 0 "[ . 1 . 2]" 2
463 1 43 PRO HA 1 45 ASN H . . 4.480 3.554 3.494 3.613 . 0 0 "[ . 1 . 2]" 2
464 1 28 VAL HA 1 28 VAL MG1 . . 3.120 2.291 2.198 2.412 . 0 0 "[ . 1 . 2]" 2
465 1 28 VAL HA 1 28 VAL MG2 . . 3.180 2.486 2.427 2.529 . 0 0 "[ . 1 . 2]" 2
466 1 8 GLN HA 1 8 GLN QG . . 3.970 2.681 2.154 3.475 . 0 0 "[ . 1 . 2]" 2
467 1 41 VAL MG2 1 47 GLU HB3 . . 4.150 3.486 3.074 3.779 . 0 0 "[ . 1 . 2]" 2
468 1 47 GLU HB2 1 48 PHE H . . 4.720 3.884 3.812 3.984 . 0 0 "[ . 1 . 2]" 2
469 1 40 ARG HB3 1 50 ALA HA . . 4.400 4.213 3.819 4.402 0.002 1 0 "[ . 1 . 2]" 2
470 1 40 ARG HB3 1 50 ALA MB . . 5.000 4.923 4.512 5.034 0.034 6 0 "[ . 1 . 2]" 2
471 1 40 ARG HB2 1 50 ALA MB . . 4.000 3.904 3.511 4.000 . 12 0 "[ . 1 . 2]" 2
472 1 57 LEU MD2 1 70 SER HB2 . . 3.590 3.001 2.483 3.597 0.007 3 0 "[ . 1 . 2]" 2
473 1 57 LEU MD2 1 70 SER HB3 . . 3.590 2.979 2.444 3.596 0.006 5 0 "[ . 1 . 2]" 2
474 1 48 PHE QD 1 53 VAL HB . . 4.330 3.772 3.649 3.913 . 0 0 "[ . 1 . 2]" 2
475 1 30 MET H 1 30 MET HG3 . . 4.470 3.735 2.949 4.236 . 0 0 "[ . 1 . 2]" 2
476 1 30 MET HA 1 30 MET HG3 . . 3.990 3.672 3.496 3.768 . 0 0 "[ . 1 . 2]" 2
477 1 30 MET HB2 1 30 MET HG3 . . 2.650 2.280 2.230 2.459 . 0 0 "[ . 1 . 2]" 2
478 1 30 MET HB3 1 30 MET HG3 . . 2.990 2.686 2.390 2.960 . 0 0 "[ . 1 . 2]" 2
479 1 28 VAL MG1 1 55 LYS QB . . 4.380 4.047 3.549 4.384 0.004 13 0 "[ . 1 . 2]" 2
480 1 52 CYS HA 1 55 LYS QB . . 3.600 3.139 2.961 3.408 . 0 0 "[ . 1 . 2]" 2
481 1 28 VAL MG1 1 29 CYS HB3 . . 4.870 3.293 3.047 3.456 . 0 0 "[ . 1 . 2]" 2
482 1 14 PHE QE 1 16 PRO HB3 . . 3.830 2.289 1.989 2.886 . 0 0 "[ . 1 . 2]" 2
483 1 51 LYS HA 1 51 LYS HB2 . . 3.010 2.472 2.448 2.489 . 0 0 "[ . 1 . 2]" 2
484 1 58 LYS HB2 1 59 ALA MB . . 5.130 4.541 3.992 5.166 0.036 2 0 "[ . 1 . 2]" 2
485 1 58 LYS HB3 1 59 ALA MB . . 5.130 3.912 3.588 4.831 . 0 0 "[ . 1 . 2]" 2
486 1 56 TRP HH2 1 64 PRO HB2 . . 4.730 4.673 4.484 4.745 0.015 6 0 "[ . 1 . 2]" 2
487 1 28 VAL MG2 1 64 PRO HB3 . . 4.380 3.769 3.497 4.220 . 0 0 "[ . 1 . 2]" 2
488 1 27 VAL HA 1 27 VAL MG2 . . 2.980 2.013 1.985 2.148 . 0 0 "[ . 1 . 2]" 2
489 1 27 VAL HA 1 65 ILE MD . . 4.520 4.333 4.218 4.495 . 0 0 "[ . 1 . 2]" 2
490 1 14 PHE HZ 1 16 PRO HA . . 3.940 3.036 2.323 3.777 . 0 0 "[ . 1 . 2]" 2
491 1 14 PHE QE 1 16 PRO HA . . 4.130 2.462 1.993 3.254 . 0 0 "[ . 1 . 2]" 2
492 1 65 ILE HA 1 65 ILE HG13 . . 3.730 3.166 3.013 3.216 . 0 0 "[ . 1 . 2]" 2
493 1 27 VAL MG2 1 65 ILE HA . . 3.710 2.916 2.758 3.055 . 0 0 "[ . 1 . 2]" 2
494 1 53 VAL HA 1 57 LEU H . . 4.340 3.573 3.406 3.952 . 0 0 "[ . 1 . 2]" 2
495 1 42 LEU MD2 1 63 CYS QB . . 3.820 3.771 3.580 3.859 0.039 6 0 "[ . 1 . 2]" 2
496 1 27 VAL HB 1 48 PHE HZ . . 4.360 4.380 4.350 4.439 0.079 11 0 "[ . 1 . 2]" 2
497 1 27 VAL HB 1 65 ILE HG12 . . 3.140 2.104 1.995 2.229 . 0 0 "[ . 1 . 2]" 2
498 1 27 VAL HB 1 65 ILE MD . . 3.490 2.148 1.964 2.366 . 0 0 "[ . 1 . 2]" 2
499 1 28 VAL HB 1 52 CYS HB3 . . 3.710 2.314 2.098 2.467 . 0 0 "[ . 1 . 2]" 2
500 1 53 VAL HA 1 56 TRP H . . 4.350 3.446 3.238 3.762 . 0 0 "[ . 1 . 2]" 2
501 1 63 CYS QB 1 66 CYS H . . 3.510 2.903 2.721 3.061 . 0 0 "[ . 1 . 2]" 2
502 1 46 HIS HB3 1 48 PHE QE . . 3.710 2.103 1.992 2.280 . 0 0 "[ . 1 . 2]" 2
503 1 46 HIS HB3 1 48 PHE HZ . . 4.230 2.637 2.411 2.794 . 0 0 "[ . 1 . 2]" 2
504 1 35 SER QB 1 36 ARG H . . 3.990 2.945 2.393 3.689 . 0 0 "[ . 1 . 2]" 2
505 1 16 PRO HG2 1 35 SER QB . . 3.990 3.950 3.580 4.011 0.021 1 0 "[ . 1 . 2]" 2
506 1 43 PRO HB2 1 44 CYS H . . 4.270 4.016 3.982 4.064 . 0 0 "[ . 1 . 2]" 2
507 1 49 HIS HB2 1 52 CYS HB3 . . 3.780 3.450 3.399 3.481 . 0 0 "[ . 1 . 2]" 2
508 1 26 CYS HB3 1 29 CYS H . . 3.840 3.265 3.101 3.421 . 0 0 "[ . 1 . 2]" 2
509 1 46 HIS HB2 1 48 PHE QE . . 3.690 2.012 1.989 2.076 . 0 0 "[ . 1 . 2]" 2
510 1 26 CYS HB3 1 33 PHE QE . . 3.800 3.743 3.614 3.825 0.025 4 0 "[ . 1 . 2]" 2
511 1 26 CYS HB2 1 49 HIS HE1 . . 4.120 3.613 3.489 3.769 . 0 0 "[ . 1 . 2]" 2
512 1 26 CYS HB2 1 33 PHE QE . . 3.480 2.062 1.983 2.171 . 0 0 "[ . 1 . 2]" 2
513 1 31 CYS HB2 1 32 ASP H . . 4.240 4.137 3.919 4.265 0.025 8 0 "[ . 1 . 2]" 2
514 1 31 CYS HB3 1 32 ASP H . . 4.240 3.508 2.665 4.168 . 0 0 "[ . 1 . 2]" 2
515 1 44 CYS HB2 1 68 ALA MB . . 3.690 3.144 2.945 3.528 . 0 0 "[ . 1 . 2]" 2
516 1 28 VAL MG1 1 52 CYS HA . . 4.120 3.181 2.920 3.395 . 0 0 "[ . 1 . 2]" 2
517 1 49 HIS HB3 1 52 CYS HB3 . . 4.740 4.602 4.443 4.742 0.002 5 0 "[ . 1 . 2]" 2
518 1 52 CYS HB2 1 53 VAL H . . 4.220 2.034 1.961 2.128 . 0 0 "[ . 1 . 2]" 2
519 1 28 VAL HB 1 52 CYS HB2 . . 3.380 3.288 3.159 3.412 0.032 5 0 "[ . 1 . 2]" 2
520 1 28 VAL MG1 1 52 CYS HB2 . . 3.640 3.434 3.324 3.550 . 0 0 "[ . 1 . 2]" 2
521 1 37 GLN H 1 37 GLN HB2 . . 4.070 2.817 2.590 2.927 . 0 0 "[ . 1 . 2]" 2
522 1 42 LEU HG 1 48 PHE QD . . 4.140 2.083 1.985 2.243 . 0 0 "[ . 1 . 2]" 2
523 1 42 LEU HG 1 48 PHE QE . . 4.480 2.317 2.194 2.453 . 0 0 "[ . 1 . 2]" 2
524 1 42 LEU HG 1 48 PHE HZ . . 4.320 4.223 3.982 4.352 0.032 11 0 "[ . 1 . 2]" 2
525 1 42 LEU HG 1 43 PRO HD2 . . 4.250 4.177 4.151 4.196 . 0 0 "[ . 1 . 2]" 2
526 1 37 GLN HB2 1 49 HIS HD2 . . 4.690 4.502 4.049 4.721 0.031 10 0 "[ . 1 . 2]" 2
527 1 37 GLN HB3 1 49 HIS HD2 . . 4.690 4.077 3.746 4.412 . 0 0 "[ . 1 . 2]" 2
528 1 37 GLN HB3 1 38 LEU H . . 4.170 3.036 2.702 3.219 . 0 0 "[ . 1 . 2]" 2
529 1 24 THR HA 1 33 PHE QD . . 4.290 4.123 3.776 4.326 0.036 19 0 "[ . 1 . 2]" 2
530 1 24 THR HA 1 24 THR HB . . 2.670 2.441 2.350 2.537 . 0 0 "[ . 1 . 2]" 2
531 1 24 THR HA 1 24 THR MG . . 3.260 2.704 2.231 3.200 . 0 0 "[ . 1 . 2]" 2
532 1 24 THR HA 1 33 PHE QE . . 4.460 2.773 2.402 3.280 . 0 0 "[ . 1 . 2]" 2
533 1 53 VAL HA 1 56 TRP HB3 . . 3.210 2.410 2.266 2.821 . 0 0 "[ . 1 . 2]" 2
534 1 56 TRP HB2 1 57 LEU H . . 4.010 3.753 3.629 4.013 0.003 11 0 "[ . 1 . 2]" 2
535 1 53 VAL HA 1 56 TRP HB2 . . 3.780 3.499 3.203 3.739 . 0 0 "[ . 1 . 2]" 2
536 1 53 VAL MG2 1 56 TRP HB2 . . 4.900 4.776 4.525 4.904 0.004 4 0 "[ . 1 . 2]" 2
537 1 58 LYS H 1 58 LYS QD . . 4.430 4.131 2.409 4.496 0.066 18 0 "[ . 1 . 2]" 2
538 1 58 LYS HA 1 58 LYS QD . . 4.350 3.957 2.859 4.400 0.050 7 0 "[ . 1 . 2]" 2
539 1 56 TRP HA 1 56 TRP HE3 . . 3.710 2.932 2.684 3.117 . 0 0 "[ . 1 . 2]" 2
540 1 56 TRP HA 1 56 TRP HB2 . . 3.000 2.418 2.395 2.452 . 0 0 "[ . 1 . 2]" 2
541 1 48 PHE QE 1 65 ILE HG13 . . 3.750 2.281 2.178 2.464 . 0 0 "[ . 1 . 2]" 2
542 1 48 PHE HZ 1 65 ILE HG13 . . 3.730 2.052 1.984 2.217 . 0 0 "[ . 1 . 2]" 2
543 1 42 LEU MD1 1 65 ILE HG13 . . 4.520 4.016 3.852 4.217 . 0 0 "[ . 1 . 2]" 2
544 1 48 PHE QE 1 65 ILE HG12 . . 4.160 3.225 3.066 3.502 . 0 0 "[ . 1 . 2]" 2
545 1 48 PHE HZ 1 65 ILE HG12 . . 4.090 3.606 3.488 3.713 . 0 0 "[ . 1 . 2]" 2
546 1 65 ILE HA 1 65 ILE HG12 . . 3.580 2.487 2.433 2.539 . 0 0 "[ . 1 . 2]" 2
547 1 65 ILE HG12 1 65 ILE MG . . 3.600 2.416 2.359 2.460 . 0 0 "[ . 1 . 2]" 2
548 1 35 SER HA 1 36 ARG H . . 3.420 2.705 2.248 3.469 0.049 18 0 "[ . 1 . 2]" 2
549 1 14 PHE QD 1 35 SER HA . . 3.680 2.027 1.956 2.264 . 0 0 "[ . 1 . 2]" 2
550 1 35 SER HA 1 36 ARG HA . . 4.680 4.477 4.428 4.567 . 0 0 "[ . 1 . 2]" 2
551 1 43 PRO HG3 1 70 SER HA . . 3.920 2.612 2.151 2.909 . 0 0 "[ . 1 . 2]" 2
552 1 9 LEU MD2 1 43 PRO HG3 . . 4.680 4.018 3.311 4.640 . 0 0 "[ . 1 . 2]" 2
553 1 42 LEU MD2 1 43 PRO HG3 . . 5.010 3.931 3.896 3.949 . 0 0 "[ . 1 . 2]" 2
554 1 42 LEU MD2 1 43 PRO HG2 . . 4.200 3.964 3.940 3.988 . 0 0 "[ . 1 . 2]" 2
555 1 67 ARG HA 1 67 ARG HG3 . . 4.130 2.917 2.177 3.830 . 0 0 "[ . 1 . 2]" 2
556 1 36 ARG HA 1 36 ARG HG2 . . 4.060 3.097 2.359 4.122 0.062 10 0 "[ . 1 . 2]" 2
557 1 14 PHE HA 1 14 PHE QD . . 4.290 3.116 2.697 3.312 . 0 0 "[ . 1 . 2]" 2
558 1 12 TYR QE 1 14 PHE HA . . 4.310 2.430 2.003 3.262 . 0 0 "[ . 1 . 2]" 2
559 1 55 LYS HA 1 58 LYS H . . 4.590 3.670 3.286 3.911 . 0 0 "[ . 1 . 2]" 2
560 1 55 LYS HA 1 58 LYS HB2 . . 4.210 2.964 2.649 4.232 0.022 7 0 "[ . 1 . 2]" 2
561 1 55 LYS HA 1 58 LYS HB3 . . 4.210 3.841 2.642 4.250 0.040 12 0 "[ . 1 . 2]" 2
562 1 55 LYS HA 1 55 LYS QD . . 4.070 3.757 2.175 4.088 0.018 6 0 "[ . 1 . 2]" 2
563 1 55 LYS HA 1 58 LYS QD . . 3.580 3.150 1.981 3.599 0.019 8 0 "[ . 1 . 2]" 2
564 1 55 LYS HA 1 55 LYS HG2 . . 3.920 2.890 2.244 3.595 . 0 0 "[ . 1 . 2]" 2
565 1 43 PRO HG2 1 70 SER HA . . 4.600 2.497 2.175 2.848 . 0 0 "[ . 1 . 2]" 2
566 1 51 LYS HA 1 54 ASP HB3 . . 4.410 3.199 2.550 4.196 . 0 0 "[ . 1 . 2]" 2
567 1 51 LYS HA 1 54 ASP HB2 . . 4.410 3.155 2.478 3.832 . 0 0 "[ . 1 . 2]" 2
568 1 51 LYS HA 1 51 LYS HB3 . . 3.010 2.425 2.409 2.448 . 0 0 "[ . 1 . 2]" 2
569 1 13 ARG HB3 1 36 ARG HA . . 4.420 2.731 1.991 3.787 . 0 0 "[ . 1 . 2]" 2
570 1 13 ARG HB2 1 36 ARG HA . . 4.420 4.153 3.156 4.490 0.070 8 0 "[ . 1 . 2]" 2
571 1 36 ARG HA 1 36 ARG HG3 . . 4.060 3.064 2.244 4.224 0.164 18 0 "[ . 1 . 2]" 2
572 1 71 GLY QA 1 72 PRO QG . . 4.120 3.682 3.642 3.770 . 0 0 "[ . 1 . 2]" 2
573 1 38 LEU H 1 38 LEU HG . . 4.660 4.536 4.488 4.571 . 0 0 "[ . 1 . 2]" 2
574 1 38 LEU HA 1 38 LEU HG . . 4.020 2.980 2.529 3.694 . 0 0 "[ . 1 . 2]" 2
575 1 39 LEU H 1 39 LEU HG . . 4.160 2.699 2.389 3.046 . 0 0 "[ . 1 . 2]" 2
576 1 58 LYS HA 1 58 LYS HG2 . . 3.720 2.690 2.193 3.710 . 0 0 "[ . 1 . 2]" 2
577 1 62 THR HB 1 67 ARG HA . . 3.450 2.744 2.337 3.053 . 0 0 "[ . 1 . 2]" 2
578 1 63 CYS QB 1 67 ARG HA . . 4.070 3.277 2.628 3.551 . 0 0 "[ . 1 . 2]" 2
579 1 67 ARG HA 1 67 ARG HG2 . . 4.130 3.122 2.322 3.731 . 0 0 "[ . 1 . 2]" 2
580 1 62 THR MG 1 67 ARG HA . . 4.370 4.107 3.769 4.383 0.013 2 0 "[ . 1 . 2]" 2
581 1 40 ARG HG2 1 50 ALA HA . . 4.140 3.078 2.398 3.937 . 0 0 "[ . 1 . 2]" 2
582 1 40 ARG HG2 1 50 ALA MB . . 4.130 2.880 2.241 3.737 . 0 0 "[ . 1 . 2]" 2
583 1 40 ARG HG2 1 53 VAL MG1 . . 4.500 3.902 3.530 4.325 . 0 0 "[ . 1 . 2]" 2
584 1 25 LEU MD1 1 27 VAL HA . . 4.900 4.693 4.437 4.916 0.016 5 0 "[ . 1 . 2]" 2
585 1 25 LEU MD1 1 30 MET ME . . 3.860 3.181 2.185 3.866 0.006 7 0 "[ . 1 . 2]" 2
586 1 9 LEU MD1 1 10 PRO QD . . 4.030 3.850 3.603 4.106 0.076 13 0 "[ . 1 . 2]" 2
587 1 57 LEU HB3 1 57 LEU MD1 . . 3.330 2.442 2.355 2.571 . 0 0 "[ . 1 . 2]" 2
588 1 53 VAL MG2 1 57 LEU MD1 . . 4.250 2.098 1.927 2.360 . 0 0 "[ . 1 . 2]" 2
589 1 42 LEU MD1 1 57 LEU MD1 . . 5.040 4.790 4.521 5.034 . 0 0 "[ . 1 . 2]" 2
590 1 54 ASP HA 1 57 LEU HB2 . . 3.700 3.235 2.876 3.502 . 0 0 "[ . 1 . 2]" 2
591 1 53 VAL MG1 1 54 ASP HA . . 3.780 2.958 2.802 3.200 . 0 0 "[ . 1 . 2]" 2
592 1 54 ASP HA 1 57 LEU MD1 . . 3.700 2.840 2.506 3.223 . 0 0 "[ . 1 . 2]" 2
593 1 9 LEU MD1 1 43 PRO HD3 . . 4.150 3.257 2.725 3.910 . 0 0 "[ . 1 . 2]" 2
594 1 57 LEU HA 1 57 LEU MD1 . . 4.000 3.875 3.842 3.896 . 0 0 "[ . 1 . 2]" 2
595 1 42 LEU MD1 1 68 ALA MB . . 4.880 4.278 3.922 4.824 . 0 0 "[ . 1 . 2]" 2
596 1 42 LEU MD1 1 48 PHE QE . . 3.460 2.027 1.896 2.225 . 0 0 "[ . 1 . 2]" 2
597 1 42 LEU MD1 1 48 PHE HZ . . 3.370 2.612 2.462 2.792 . 0 0 "[ . 1 . 2]" 2
598 1 42 LEU MD1 1 63 CYS HA . . 3.590 2.294 2.158 2.437 . 0 0 "[ . 1 . 2]" 2
599 1 42 LEU MD1 1 43 PRO HD2 . . 4.490 3.364 3.150 3.513 . 0 0 "[ . 1 . 2]" 2
600 1 42 LEU MD1 1 63 CYS QB . . 3.550 2.029 1.875 2.181 . 0 0 "[ . 1 . 2]" 2
601 1 42 LEU HB3 1 42 LEU MD1 . . 3.410 2.299 2.110 2.390 . 0 0 "[ . 1 . 2]" 2
602 1 42 LEU HB2 1 42 LEU MD1 . . 3.410 2.351 2.261 2.537 . 0 0 "[ . 1 . 2]" 2
603 1 42 LEU MD1 1 53 VAL MG2 . . 3.660 3.188 2.981 3.389 . 0 0 "[ . 1 . 2]" 2
604 1 51 LYS HG2 1 52 CYS HB2 . . 4.700 4.459 4.282 4.613 . 0 0 "[ . 1 . 2]" 2
605 1 38 LEU HA 1 38 LEU MD1 . . 4.370 2.308 1.975 2.739 . 0 0 "[ . 1 . 2]" 2
606 1 58 LYS H 1 58 LYS HG2 . . 4.460 4.199 3.029 4.575 0.115 17 0 "[ . 1 . 2]" 2
607 1 51 LYS HA 1 51 LYS HG2 . . 3.940 3.703 3.668 3.758 . 0 0 "[ . 1 . 2]" 2
608 1 58 LYS HA 1 58 LYS HG3 . . 3.720 2.669 2.198 3.596 . 0 0 "[ . 1 . 2]" 2
609 1 51 LYS HG3 1 52 CYS HA . . 3.660 3.357 3.252 3.445 . 0 0 "[ . 1 . 2]" 2
610 1 49 HIS HB3 1 51 LYS HG3 . . 4.530 2.791 2.558 3.001 . 0 0 "[ . 1 . 2]" 2
611 1 51 LYS HG3 1 52 CYS HB2 . . 4.160 3.996 3.888 4.136 . 0 0 "[ . 1 . 2]" 2
612 1 55 LYS HA 1 55 LYS HG3 . . 3.920 2.779 2.277 3.861 . 0 0 "[ . 1 . 2]" 2
613 1 14 PHE QD 1 39 LEU MD1 . . 3.630 2.683 1.858 3.211 . 0 0 "[ . 1 . 2]" 2
614 1 33 PHE QE 1 39 LEU MD1 . . 4.590 3.787 3.219 4.145 . 0 0 "[ . 1 . 2]" 2
615 1 23 GLN HA 1 23 GLN HG3 . . 3.820 3.619 3.579 3.640 . 0 0 "[ . 1 . 2]" 2
616 1 63 CYS HA 1 64 PRO HD2 . . 3.160 2.027 1.986 2.058 . 0 0 "[ . 1 . 2]" 2
617 1 42 LEU MD2 1 63 CYS HA . . 3.810 3.809 3.717 3.859 0.049 17 0 "[ . 1 . 2]" 2
618 1 57 LEU MD2 1 63 CYS HA . . 4.310 4.204 3.976 4.316 0.006 17 0 "[ . 1 . 2]" 2
619 1 25 LEU MD2 1 32 ASP HA . . 4.850 4.642 4.205 4.851 0.001 11 0 "[ . 1 . 2]" 2
620 1 25 LEU MD2 1 30 MET H . . 4.470 3.713 3.452 4.011 . 0 0 "[ . 1 . 2]" 2
621 1 25 LEU MD2 1 30 MET HA . . 3.450 2.145 1.907 2.545 . 0 0 "[ . 1 . 2]" 2
622 1 25 LEU MD2 1 27 VAL HA . . 3.510 2.496 2.329 2.635 . 0 0 "[ . 1 . 2]" 2
623 1 25 LEU MD2 1 30 MET HG2 . . 4.770 3.932 3.458 4.558 . 0 0 "[ . 1 . 2]" 2
624 1 25 LEU MD2 1 30 MET HB3 . . 4.410 3.752 3.107 4.320 . 0 0 "[ . 1 . 2]" 2
625 1 20 GLN HA 1 20 GLN QG . . 3.330 3.098 2.326 3.422 0.092 14 0 "[ . 1 . 2]" 2
626 1 40 ARG HG3 1 50 ALA HA . . 3.420 2.379 2.005 2.882 . 0 0 "[ . 1 . 2]" 2
627 1 40 ARG HB2 1 50 ALA HA . . 3.440 2.773 2.402 3.101 . 0 0 "[ . 1 . 2]" 2
628 1 42 LEU H 1 42 LEU MD2 . . 4.400 3.494 3.368 3.579 . 0 0 "[ . 1 . 2]" 2
629 1 42 LEU MD2 1 48 PHE QE . . 4.690 3.795 3.692 3.873 . 0 0 "[ . 1 . 2]" 2
630 1 42 LEU HB2 1 42 LEU MD2 . . 3.520 3.176 3.170 3.178 . 0 0 "[ . 1 . 2]" 2
631 1 42 LEU HA 1 42 LEU MD2 . . 3.610 1.911 1.884 1.934 . 0 0 "[ . 1 . 2]" 2
632 1 30 MET HA 1 30 MET HG2 . . 3.100 2.621 2.386 3.100 0.000 19 0 "[ . 1 . 2]" 2
633 1 30 MET HA 1 30 MET ME . . 4.400 2.608 1.807 3.897 . 0 0 "[ . 1 . 2]" 2
634 1 25 LEU MD1 1 30 MET HA . . 4.020 3.586 3.052 4.032 0.012 18 0 "[ . 1 . 2]" 2
635 1 9 LEU HA 1 9 LEU MD2 . . 3.370 2.243 1.976 3.465 0.095 13 0 "[ . 1 . 2]" 2
636 1 9 LEU MD2 1 10 PRO QD . . 3.270 2.228 1.932 2.725 . 0 0 "[ . 1 . 2]" 2
637 1 11 SER QB 1 38 LEU MD2 . . 3.600 2.879 2.003 3.602 0.002 7 0 "[ . 1 . 2]" 2
638 1 53 VAL H 1 53 VAL MG2 . . 4.370 3.695 3.642 3.733 . 0 0 "[ . 1 . 2]" 2
639 1 48 PHE QD 1 53 VAL MG2 . . 3.730 3.399 3.168 3.583 . 0 0 "[ . 1 . 2]" 2
640 1 53 VAL MG2 1 56 TRP HD1 . . 4.250 3.614 3.428 4.076 . 0 0 "[ . 1 . 2]" 2
641 1 53 VAL HA 1 53 VAL MG2 . . 3.230 2.255 2.151 2.339 . 0 0 "[ . 1 . 2]" 2
642 1 53 VAL MG2 1 56 TRP HB3 . . 3.590 3.474 3.307 3.617 0.027 19 0 "[ . 1 . 2]" 2
643 1 53 VAL MG2 1 64 PRO HD2 . . 4.270 4.188 3.977 4.282 0.012 19 0 "[ . 1 . 2]" 2
644 1 53 VAL MG2 1 57 LEU HG . . 3.360 2.134 1.972 2.465 . 0 0 "[ . 1 . 2]" 2
645 1 38 LEU HA 1 39 LEU H . . 3.210 2.158 2.139 2.217 . 0 0 "[ . 1 . 2]" 2
646 1 38 LEU HA 1 38 LEU MD2 . . 4.370 3.379 1.941 3.868 . 0 0 "[ . 1 . 2]" 2
647 1 32 ASP HA 1 33 PHE H . . 3.360 2.270 2.138 2.545 . 0 0 "[ . 1 . 2]" 2
648 1 25 LEU HG 1 32 ASP HA . . 4.250 3.330 2.708 3.765 . 0 0 "[ . 1 . 2]" 2
649 1 39 LEU HA 1 39 LEU MD2 . . 4.080 2.195 2.007 2.497 . 0 0 "[ . 1 . 2]" 2
650 1 39 LEU MD2 1 49 HIS HA . . 4.050 2.356 2.014 2.715 . 0 0 "[ . 1 . 2]" 2
651 1 61 ARG H 1 62 THR MG . . 4.840 3.711 3.374 4.256 . 0 0 "[ . 1 . 2]" 2
652 1 62 THR MG 1 69 ASP HA . . 3.850 2.277 1.958 2.663 . 0 0 "[ . 1 . 2]" 2
653 1 57 LEU HA 1 57 LEU MD2 . . 3.100 2.107 1.968 2.323 . 0 0 "[ . 1 . 2]" 2
654 1 57 LEU MD2 1 61 ARG HA . . 3.290 2.667 2.341 3.064 . 0 0 "[ . 1 . 2]" 2
655 1 57 LEU HB2 1 57 LEU MD2 . . 3.300 3.179 3.159 3.191 . 0 0 "[ . 1 . 2]" 2
656 1 57 LEU HB3 1 57 LEU MD2 . . 3.340 2.280 2.158 2.362 . 0 0 "[ . 1 . 2]" 2
657 1 53 VAL MG2 1 57 LEU MD2 . . 4.100 2.914 2.639 3.169 . 0 0 "[ . 1 . 2]" 2
658 1 28 VAL MG2 1 48 PHE QD . . 3.490 2.298 2.141 2.474 . 0 0 "[ . 1 . 2]" 2
659 1 28 VAL MG2 1 53 VAL HA . . 4.070 3.039 2.855 3.170 . 0 0 "[ . 1 . 2]" 2
660 1 28 VAL MG2 1 56 TRP HB2 . . 3.920 2.905 2.686 3.042 . 0 0 "[ . 1 . 2]" 2
661 1 28 VAL MG2 1 52 CYS HB3 . . 4.340 2.387 2.069 2.606 . 0 0 "[ . 1 . 2]" 2
662 1 28 VAL MG2 1 52 CYS HB2 . . 4.020 2.877 2.744 3.016 . 0 0 "[ . 1 . 2]" 2
663 1 28 VAL MG2 1 53 VAL MG2 . . 4.300 3.854 3.599 4.088 . 0 0 "[ . 1 . 2]" 2
664 1 19 HIS HD2 1 24 THR MG . . 4.340 2.501 1.889 3.704 . 0 0 "[ . 1 . 2]" 2
665 1 23 GLN HA 1 24 THR MG . . 4.740 4.229 3.625 4.739 . 0 0 "[ . 1 . 2]" 2
666 1 25 LEU HA 1 33 PHE H . . 3.730 3.476 2.881 3.738 0.008 13 0 "[ . 1 . 2]" 2
667 1 25 LEU HA 1 25 LEU HG . . 4.040 2.551 2.446 2.799 . 0 0 "[ . 1 . 2]" 2
668 1 25 LEU HA 1 25 LEU MD2 . . 3.930 3.400 3.267 3.617 . 0 0 "[ . 1 . 2]" 2
669 1 25 LEU HA 1 32 ASP HA . . 3.180 2.430 2.028 2.952 . 0 0 "[ . 1 . 2]" 2
670 1 25 LEU HA 1 25 LEU MD1 . . 4.740 3.590 3.519 3.681 . 0 0 "[ . 1 . 2]" 2
671 1 27 VAL MG1 1 28 VAL H . . 4.170 2.119 1.917 2.400 . 0 0 "[ . 1 . 2]" 2
672 1 27 VAL MG1 1 48 PHE QE . . 3.440 1.862 1.797 1.905 . 0 0 "[ . 1 . 2]" 2
673 1 27 VAL HA 1 27 VAL MG1 . . 3.480 3.144 3.137 3.151 . 0 0 "[ . 1 . 2]" 2
674 1 68 ALA HA 1 69 ASP H . . 3.460 2.343 2.142 3.562 0.102 6 0 "[ . 1 . 2]" 2
675 1 28 VAL MG1 1 52 CYS HB3 . . 3.830 1.937 1.905 2.008 . 0 0 "[ . 1 . 2]" 2
676 1 28 VAL MG1 1 56 TRP HB2 . . 4.100 2.810 2.438 2.991 . 0 0 "[ . 1 . 2]" 2
677 1 27 VAL H 1 27 VAL MG2 . . 3.830 3.610 3.563 3.664 . 0 0 "[ . 1 . 2]" 2
678 1 27 VAL MG2 1 48 PHE HZ . . 5.060 5.059 5.007 5.111 0.051 20 0 "[ . 1 . 2]" 2
679 1 27 VAL MG2 1 30 MET ME . . 3.230 2.358 1.774 3.089 . 0 0 "[ . 1 . 2]" 2
680 1 27 VAL MG2 1 65 ILE HG13 . . 4.340 3.451 3.300 3.566 . 0 0 "[ . 1 . 2]" 2
681 1 27 VAL MG2 1 65 ILE MD . . 3.450 3.067 2.861 3.236 . 0 0 "[ . 1 . 2]" 2
682 1 25 LEU MD2 1 27 VAL MG2 . . 3.550 3.343 3.233 3.563 0.013 5 0 "[ . 1 . 2]" 2
683 1 41 VAL HA 1 41 VAL MG1 . . 3.640 2.353 2.262 2.443 . 0 0 "[ . 1 . 2]" 2
684 1 41 VAL MG1 1 45 ASN HA . . 3.120 2.928 2.845 3.015 . 0 0 "[ . 1 . 2]" 2
685 1 53 VAL MG1 1 54 ASP H . . 3.530 1.966 1.798 2.277 . 0 0 "[ . 1 . 2]" 2
686 1 53 VAL H 1 53 VAL MG1 . . 3.320 2.565 2.421 2.744 . 0 0 "[ . 1 . 2]" 2
687 1 41 VAL MG1 1 48 PHE QD . . 5.030 4.548 4.310 4.880 . 0 0 "[ . 1 . 2]" 2
688 1 48 PHE QD 1 53 VAL MG1 . . 5.420 4.519 4.325 4.652 . 0 0 "[ . 1 . 2]" 2
689 1 53 VAL HA 1 53 VAL MG1 . . 3.230 3.186 3.174 3.196 . 0 0 "[ . 1 . 2]" 2
690 1 50 ALA HA 1 53 VAL MG1 . . 3.400 2.538 2.274 2.704 . 0 0 "[ . 1 . 2]" 2
691 1 48 PHE HB3 1 53 VAL MG1 . . 3.950 3.603 3.285 3.791 . 0 0 "[ . 1 . 2]" 2
692 1 48 PHE HB2 1 53 VAL MG1 . . 3.400 3.270 2.959 3.404 0.004 6 0 "[ . 1 . 2]" 2
693 1 40 ARG HB3 1 53 VAL MG1 . . 3.250 2.854 2.415 3.233 . 0 0 "[ . 1 . 2]" 2
694 1 40 ARG HG3 1 53 VAL MG1 . . 3.690 2.850 2.331 3.335 . 0 0 "[ . 1 . 2]" 2
695 1 40 ARG HB2 1 53 VAL MG1 . . 3.370 2.056 1.942 2.656 . 0 0 "[ . 1 . 2]" 2
696 1 41 VAL H 1 41 VAL MG2 . . 3.250 2.543 2.308 2.930 . 0 0 "[ . 1 . 2]" 2
697 1 12 TYR QD 1 41 VAL MG2 . . 3.550 3.431 3.023 3.566 0.016 20 0 "[ . 1 . 2]" 2
698 1 12 TYR QE 1 41 VAL MG2 . . 3.380 1.987 1.820 2.317 . 0 0 "[ . 1 . 2]" 2
699 1 40 ARG HA 1 41 VAL MG2 . . 4.910 3.700 3.394 3.860 . 0 0 "[ . 1 . 2]" 2
700 1 59 ALA MB 1 60 ASN H . . 3.980 2.498 2.417 2.584 . 0 0 "[ . 1 . 2]" 2
701 1 56 TRP HA 1 59 ALA MB . . 4.320 3.185 2.941 3.739 . 0 0 "[ . 1 . 2]" 2
702 1 68 ALA MB 1 69 ASP H . . 4.200 3.052 1.961 3.517 . 0 0 "[ . 1 . 2]" 2
703 1 68 ALA H 1 68 ALA MB . . 3.220 2.224 2.115 2.288 . 0 0 "[ . 1 . 2]" 2
704 1 63 CYS QB 1 68 ALA MB . . 3.670 2.671 2.244 3.344 . 0 0 "[ . 1 . 2]" 2
705 1 44 CYS HB3 1 68 ALA MB . . 3.690 2.451 2.288 2.812 . 0 0 "[ . 1 . 2]" 2
706 1 42 LEU HA 1 43 PRO HD2 . . 3.750 2.473 2.457 2.498 . 0 0 "[ . 1 . 2]" 2
707 1 15 ASN HA 1 16 PRO HD2 . . 3.570 1.952 1.912 2.049 . 0 0 "[ . 1 . 2]" 2
708 1 15 ASN HA 1 16 PRO HD3 . . 3.570 2.380 2.277 2.505 . 0 0 "[ . 1 . 2]" 2
709 1 42 LEU HB3 1 43 PRO HD2 . . 3.520 1.958 1.917 1.978 . 0 0 "[ . 1 . 2]" 2
710 1 42 LEU MD2 1 43 PRO HD2 . . 3.520 1.938 1.926 1.950 . 0 0 "[ . 1 . 2]" 2
711 1 9 LEU HA 1 10 PRO QD . . 3.470 2.085 2.029 2.117 . 0 0 "[ . 1 . 2]" 2
712 1 42 LEU HA 1 43 PRO HD3 . . 3.690 2.331 2.323 2.344 . 0 0 "[ . 1 . 2]" 2
713 1 9 LEU MD2 1 43 PRO HD3 . . 3.780 2.716 2.135 3.480 . 0 0 "[ . 1 . 2]" 2
714 1 42 LEU MD2 1 43 PRO HD3 . . 4.030 2.462 2.406 2.504 . 0 0 "[ . 1 . 2]" 2
715 1 48 PHE QE 1 64 PRO HD2 . . 3.790 3.318 3.222 3.474 . 0 0 "[ . 1 . 2]" 2
716 1 48 PHE HZ 1 64 PRO HD2 . . 4.020 3.113 2.988 3.228 . 0 0 "[ . 1 . 2]" 2
717 1 42 LEU MD2 1 64 PRO HD2 . . 4.300 4.283 4.213 4.327 0.027 4 0 "[ . 1 . 2]" 2
718 1 27 VAL MG1 1 64 PRO HD2 . . 4.330 3.669 3.599 3.864 . 0 0 "[ . 1 . 2]" 2
719 1 48 PHE QE 1 64 PRO HD3 . . 4.690 4.512 4.416 4.664 . 0 0 "[ . 1 . 2]" 2
720 1 56 TRP HZ2 1 64 PRO HD3 . . 4.980 4.250 4.107 4.534 . 0 0 "[ . 1 . 2]" 2
721 1 56 TRP HD1 1 64 PRO HD3 . . 4.210 2.673 2.472 2.799 . 0 0 "[ . 1 . 2]" 2
722 1 63 CYS HA 1 64 PRO HD3 . . 3.150 2.287 2.271 2.314 . 0 0 "[ . 1 . 2]" 2
723 1 42 LEU MD1 1 64 PRO HD3 . . 3.960 3.347 3.217 3.553 . 0 0 "[ . 1 . 2]" 2
724 1 53 VAL MG2 1 64 PRO HD3 . . 4.440 4.158 3.861 4.356 . 0 0 "[ . 1 . 2]" 2
725 1 71 GLY QA 1 72 PRO QD . . 2.760 1.942 1.846 2.019 . 0 0 "[ . 1 . 2]" 2
726 1 50 ALA MB 1 53 VAL MG1 . . 4.090 3.825 3.623 3.946 . 0 0 "[ . 1 . 2]" 2
727 1 65 ILE MG 1 66 CYS H . . 4.150 3.034 2.834 3.213 . 0 0 "[ . 1 . 2]" 2
728 1 65 ILE HA 1 65 ILE MG . . 3.290 2.385 2.286 2.439 . 0 0 "[ . 1 . 2]" 2
729 1 65 ILE HG13 1 65 ILE MG . . 3.720 3.193 3.179 3.201 . 0 0 "[ . 1 . 2]" 2
730 1 27 VAL MG2 1 65 ILE MG . . 3.740 2.945 2.756 3.241 . 0 0 "[ . 1 . 2]" 2
731 1 50 ALA HA 1 53 VAL MG2 . . 5.470 5.009 4.759 5.173 . 0 0 "[ . 1 . 2]" 2
732 1 50 ALA HA 1 53 VAL H . . 4.860 4.717 4.457 4.853 . 0 0 "[ . 1 . 2]" 2
733 1 38 LEU HB3 1 50 ALA MB . . 3.610 2.544 2.180 2.746 . 0 0 "[ . 1 . 2]" 2
734 1 40 ARG HG3 1 50 ALA MB . . 3.590 3.014 2.209 3.474 . 0 0 "[ . 1 . 2]" 2
735 1 49 HIS HD2 1 50 ALA MB . . 5.500 4.692 4.350 4.897 . 0 0 "[ . 1 . 2]" 2
736 1 50 ALA MB 1 52 CYS H . . 5.500 4.852 4.769 4.926 . 0 0 "[ . 1 . 2]" 2
737 1 40 ARG H 1 50 ALA MB . . 4.520 3.812 3.467 4.270 . 0 0 "[ . 1 . 2]" 2
738 1 39 LEU MD1 1 47 GLU HB2 . . 5.160 4.630 4.201 5.171 0.011 1 0 "[ . 1 . 2]" 2
739 1 44 CYS HB2 1 45 ASN H . . 5.500 4.298 4.248 4.359 . 0 0 "[ . 1 . 2]" 2
740 1 42 LEU MD2 1 43 PRO HA . . 5.120 5.202 5.169 5.230 0.110 4 0 "[ . 1 . 2]" 2
741 1 40 ARG HB2 1 41 VAL H . . 4.980 4.366 3.866 4.445 . 0 0 "[ . 1 . 2]" 2
742 1 40 ARG HA 1 40 ARG HD2 . . 5.020 3.636 2.593 4.656 . 0 0 "[ . 1 . 2]" 2
743 1 9 LEU H 1 40 ARG HD2 . . 5.500 4.719 3.933 5.503 0.003 9 0 "[ . 1 . 2]" 2
744 1 40 ARG HA 1 40 ARG HD3 . . 5.020 2.861 2.049 4.447 . 0 0 "[ . 1 . 2]" 2
745 1 39 LEU MD1 1 47 GLU HB3 . . 4.680 3.440 3.120 3.938 . 0 0 "[ . 1 . 2]" 2
746 1 33 PHE QD 1 39 LEU MD1 . . 4.640 2.795 2.299 3.141 . 0 0 "[ . 1 . 2]" 2
747 1 33 PHE QD 1 39 LEU MD2 . . 4.460 2.241 2.016 2.796 . 0 0 "[ . 1 . 2]" 2
748 1 33 PHE QE 1 39 LEU MD2 . . 4.790 3.523 2.692 3.747 . 0 0 "[ . 1 . 2]" 2
749 1 38 LEU H 1 38 LEU MD2 . . 4.720 4.112 3.547 4.316 . 0 0 "[ . 1 . 2]" 2
750 1 37 GLN HB2 1 39 LEU MD2 . . 4.940 2.804 2.489 3.177 . 0 0 "[ . 1 . 2]" 2
751 1 13 ARG HD2 1 36 ARG HA . . 4.800 3.654 2.088 4.689 . 0 0 "[ . 1 . 2]" 2
752 1 36 ARG HA 1 36 ARG QD . . 4.350 3.568 2.280 4.317 . 0 0 "[ . 1 . 2]" 2
753 1 34 GLU HB2 1 37 GLN HE22 . . 5.220 4.159 2.416 5.253 0.033 20 0 "[ . 1 . 2]" 2
754 1 34 GLU HB3 1 37 GLN HE22 . . 5.220 4.627 3.382 5.224 0.004 18 0 "[ . 1 . 2]" 2
755 1 34 GLU HB3 1 37 GLN HE21 . . 5.220 3.504 2.393 4.296 . 0 0 "[ . 1 . 2]" 2
756 1 32 ASP HB3 1 33 PHE H . . 4.520 3.808 2.277 4.475 . 0 0 "[ . 1 . 2]" 2
757 1 28 VAL MG1 1 29 CYS HB2 . . 4.870 4.697 4.488 4.861 . 0 0 "[ . 1 . 2]" 2
758 1 25 LEU H 1 25 LEU MD1 . . 5.100 4.743 4.704 4.779 . 0 0 "[ . 1 . 2]" 2
759 1 25 LEU MD1 1 26 CYS H . . 5.140 3.919 3.624 4.217 . 0 0 "[ . 1 . 2]" 2
760 1 19 HIS HD2 1 24 THR HA . . 5.450 5.295 4.685 5.501 0.051 5 0 "[ . 1 . 2]" 2
761 1 14 PHE QE 1 24 THR MG . . 4.480 2.547 1.879 3.891 . 0 0 "[ . 1 . 2]" 2
762 1 24 THR MG 1 33 PHE QD . . 5.320 3.382 2.403 4.003 . 0 0 "[ . 1 . 2]" 2
763 1 14 PHE HZ 1 16 PRO HB3 . . 4.560 3.945 2.921 4.466 . 0 0 "[ . 1 . 2]" 2
764 1 14 PHE HB2 1 39 LEU MD2 . . 4.680 3.854 3.318 4.159 . 0 0 "[ . 1 . 2]" 2
765 1 14 PHE HB3 1 39 LEU MD2 . . 4.680 4.375 3.877 4.681 0.001 5 0 "[ . 1 . 2]" 2
766 1 14 PHE HA 1 39 LEU MD1 . . 4.690 3.164 2.506 3.594 . 0 0 "[ . 1 . 2]" 2
767 1 13 ARG H 1 13 ARG HG3 . . 4.840 2.928 2.387 4.408 . 0 0 "[ . 1 . 2]" 2
768 1 13 ARG HD3 1 36 ARG HA . . 4.800 4.037 2.670 4.829 0.029 1 0 "[ . 1 . 2]" 2
769 1 61 ARG HA 1 61 ARG QD . . 4.550 3.694 1.992 4.324 . 0 0 "[ . 1 . 2]" 2
770 1 12 TYR H 1 12 TYR QD . . 4.340 3.015 2.198 3.596 . 0 0 "[ . 1 . 2]" 2
771 1 12 TYR QD 1 13 ARG H . . 4.720 3.101 2.702 3.815 . 0 0 "[ . 1 . 2]" 2
772 1 52 CYS HA 1 56 TRP H . . 4.990 4.181 3.970 4.331 . 0 0 "[ . 1 . 2]" 2
773 1 52 CYS HA 1 55 LYS H . . 5.010 3.506 3.202 3.706 . 0 0 "[ . 1 . 2]" 2
774 1 28 VAL HA 1 52 CYS HB3 . . 5.160 4.749 4.536 4.932 . 0 0 "[ . 1 . 2]" 2
775 1 48 PHE HB3 1 52 CYS HB3 . . 5.500 4.777 4.551 4.940 . 0 0 "[ . 1 . 2]" 2
776 1 53 VAL HB 1 54 ASP H . . 5.220 3.803 3.660 3.965 . 0 0 "[ . 1 . 2]" 2
777 1 28 VAL MG2 1 53 VAL HB . . 4.600 3.760 3.518 4.084 . 0 0 "[ . 1 . 2]" 2
778 1 55 LYS QB 1 56 TRP HA . . 4.420 3.981 3.710 4.257 . 0 0 "[ . 1 . 2]" 2
779 1 56 TRP HA 1 56 TRP HD1 . . 4.640 4.383 4.275 4.488 . 0 0 "[ . 1 . 2]" 2
780 1 56 TRP HD1 1 63 CYS HA . . 5.030 4.119 3.720 4.389 . 0 0 "[ . 1 . 2]" 2
781 1 56 TRP HD1 1 57 LEU HA . . 4.260 3.070 2.783 3.393 . 0 0 "[ . 1 . 2]" 2
782 1 28 VAL MG2 1 56 TRP HE3 . . 4.650 4.068 3.730 4.374 . 0 0 "[ . 1 . 2]" 2
783 1 58 LYS HB2 1 59 ALA HA . . 5.500 5.190 4.792 5.608 0.108 2 0 "[ . 1 . 2]" 2
784 1 58 LYS HB3 1 59 ALA HA . . 5.500 4.152 4.004 5.515 0.015 7 0 "[ . 1 . 2]" 2
785 1 62 THR HB 1 63 CYS QB . . 4.440 4.013 3.828 4.123 . 0 0 "[ . 1 . 2]" 2
786 1 62 THR HB 1 67 ARG H . . 5.260 4.903 4.588 5.164 . 0 0 "[ . 1 . 2]" 2
787 1 62 THR MG 1 63 CYS QB . . 5.180 4.932 4.510 5.111 . 0 0 "[ . 1 . 2]" 2
788 1 56 TRP HH2 1 64 PRO HA . . 5.240 3.862 3.567 4.234 . 0 0 "[ . 1 . 2]" 2
789 1 56 TRP HH2 1 64 PRO HB3 . . 4.860 3.666 3.476 3.825 . 0 0 "[ . 1 . 2]" 2
790 1 56 TRP HZ2 1 64 PRO HB3 . . 5.290 2.994 2.717 3.356 . 0 0 "[ . 1 . 2]" 2
791 1 48 PHE QE 1 64 PRO HB2 . . 4.560 3.998 3.828 4.253 . 0 0 "[ . 1 . 2]" 2
792 1 56 TRP HZ2 1 64 PRO HB2 . . 4.920 4.368 4.179 4.617 . 0 0 "[ . 1 . 2]" 2
793 1 64 PRO HB2 1 65 ILE HG13 . . 4.560 3.966 3.852 4.059 . 0 0 "[ . 1 . 2]" 2
794 1 64 PRO HD3 1 65 ILE H . . 5.270 4.121 4.078 4.146 . 0 0 "[ . 1 . 2]" 2
795 1 56 TRP HD1 1 64 PRO HD2 . . 4.870 4.196 4.019 4.393 . 0 0 "[ . 1 . 2]" 2
796 1 48 PHE QE 1 65 ILE HB . . 4.300 4.188 4.038 4.279 . 0 0 "[ . 1 . 2]" 2
797 1 47 GLU H 1 65 ILE MD . . 4.930 4.080 3.943 4.204 . 0 0 "[ . 1 . 2]" 2
798 1 65 ILE MD 1 66 CYS H . . 5.400 4.222 4.027 4.417 . 0 0 "[ . 1 . 2]" 2
799 1 63 CYS H 1 67 ARG HA . . 4.200 2.984 2.288 3.355 . 0 0 "[ . 1 . 2]" 2
800 1 62 THR MG 1 69 ASP HB2 . . 4.990 3.456 2.859 4.196 . 0 0 "[ . 1 . 2]" 2
801 1 68 ALA MB 1 69 ASP HB3 . . 5.500 4.614 3.188 5.038 . 0 0 "[ . 1 . 2]" 2
802 1 68 ALA MB 1 69 ASP HB2 . . 5.500 4.968 3.687 5.279 . 0 0 "[ . 1 . 2]" 2
803 1 69 ASP HB3 1 70 SER H . . 4.640 4.158 3.930 4.519 . 0 0 "[ . 1 . 2]" 2
804 1 14 PHE QE 1 39 LEU MD1 . . 4.780 4.422 3.572 4.846 0.066 20 0 "[ . 1 . 2]" 2
805 1 14 PHE QD 1 16 PRO HB3 . . 4.800 4.114 3.356 4.786 . 0 0 "[ . 1 . 2]" 2
806 1 33 PHE HZ 1 39 LEU MD2 . . 5.430 4.928 4.051 5.353 . 0 0 "[ . 1 . 2]" 2
807 1 26 CYS HB3 1 33 PHE HZ . . 5.140 4.828 4.453 5.146 0.006 14 0 "[ . 1 . 2]" 2
808 1 26 CYS HA 1 33 PHE HZ . . 4.870 2.665 2.306 3.031 . 0 0 "[ . 1 . 2]" 2
809 1 33 PHE HZ 1 49 HIS H . . 4.940 4.666 4.152 4.951 0.011 3 0 "[ . 1 . 2]" 2
810 1 14 PHE HZ 1 24 THR MG . . 5.160 4.081 2.962 5.167 0.007 7 0 "[ . 1 . 2]" 2
811 1 33 PHE QE 1 47 GLU HB2 . . 4.160 2.143 1.987 2.378 . 0 0 "[ . 1 . 2]" 2
812 1 33 PHE QE 1 47 GLU HG2 . . 4.870 4.178 3.254 4.913 0.043 9 0 "[ . 1 . 2]" 2
813 1 33 PHE QE 1 47 GLU HG3 . . 4.870 4.306 3.588 4.825 . 0 0 "[ . 1 . 2]" 2
814 1 28 VAL MG1 1 56 TRP HZ3 . . 5.320 4.824 4.444 5.179 . 0 0 "[ . 1 . 2]" 2
815 1 56 TRP HZ3 1 64 PRO HB3 . . 5.500 4.135 3.919 4.400 . 0 0 "[ . 1 . 2]" 2
816 1 46 HIS HD2 1 65 ILE MG . . 4.860 3.845 3.571 4.181 . 0 0 "[ . 1 . 2]" 2
817 1 33 PHE QD 1 49 HIS HD2 . . 5.040 2.895 2.495 3.738 . 0 0 "[ . 1 . 2]" 2
818 1 46 HIS HE1 1 65 ILE HB . . 4.880 3.147 2.972 3.315 . 0 0 "[ . 1 . 2]" 2
819 1 46 HIS HE1 1 66 CYS H . . 4.930 3.298 3.100 3.511 . 0 0 "[ . 1 . 2]" 2
820 1 57 LEU MD2 1 70 SER HA . . 5.380 4.877 4.435 5.364 . 0 0 "[ . 1 . 2]" 2
821 1 42 LEU MD2 1 70 SER HA . . 4.790 3.977 3.206 4.408 . 0 0 "[ . 1 . 2]" 2
822 1 43 PRO HG3 1 71 GLY QA . . 4.760 4.622 4.005 4.767 0.007 16 0 "[ . 1 . 2]" 2
823 1 27 VAL HB 1 65 ILE HG13 . . 4.750 3.070 2.939 3.201 . 0 0 "[ . 1 . 2]" 2
824 1 48 PHE HZ 1 65 ILE MG . . 5.320 4.021 3.875 4.112 . 0 0 "[ . 1 . 2]" 2
825 1 48 PHE QE 1 65 ILE MG . . 5.280 4.519 4.452 4.657 . 0 0 "[ . 1 . 2]" 2
826 1 65 ILE MD 1 65 ILE MG . . 3.030 1.925 1.867 2.039 . 0 0 "[ . 1 . 2]" 2
827 1 65 ILE HB 1 65 ILE MD . . 3.110 2.486 2.372 2.571 . 0 0 "[ . 1 . 2]" 2
828 1 42 LEU MD1 1 64 PRO HD2 . . 3.670 2.309 2.173 2.457 . 0 0 "[ . 1 . 2]" 2
829 1 53 VAL MG2 1 63 CYS HA . . 5.450 4.744 4.557 4.869 . 0 0 "[ . 1 . 2]" 2
830 1 48 PHE HZ 1 63 CYS HA . . 5.350 4.458 4.369 4.618 . 0 0 "[ . 1 . 2]" 2
831 1 48 PHE QE 1 63 CYS HA . . 5.500 4.671 4.584 4.764 . 0 0 "[ . 1 . 2]" 2
832 1 56 TRP HZ2 1 63 CYS HA . . 5.500 5.391 5.209 5.493 . 0 0 "[ . 1 . 2]" 2
833 1 63 CYS HA 1 65 ILE H . . 5.360 3.585 3.529 3.624 . 0 0 "[ . 1 . 2]" 2
834 1 62 THR HB 1 67 ARG HB3 . . 5.440 4.004 3.521 4.905 . 0 0 "[ . 1 . 2]" 2
835 1 62 THR MG 1 69 ASP HB3 . . 4.990 4.490 3.772 5.024 0.034 6 0 "[ . 1 . 2]" 2
836 1 56 TRP HE1 1 62 THR MG . . 5.460 5.058 4.724 5.347 . 0 0 "[ . 1 . 2]" 2
837 1 58 LYS QD 1 59 ALA MB . . 5.500 4.972 3.846 5.461 . 0 0 "[ . 1 . 2]" 2
838 1 59 ALA MB 1 60 ASN HD22 . . 4.760 3.157 2.543 3.787 . 0 0 "[ . 1 . 2]" 2
839 1 58 LYS H 1 59 ALA MB . . 4.990 4.420 4.308 4.526 . 0 0 "[ . 1 . 2]" 2
840 1 58 LYS HA 1 58 LYS QE . . 4.910 4.444 3.781 4.920 0.010 7 0 "[ . 1 . 2]" 2
841 1 57 LEU HA 1 57 LEU HG . . 4.190 2.954 2.876 3.134 . 0 0 "[ . 1 . 2]" 2
842 1 54 ASP HA 1 57 LEU HG . . 4.360 4.147 3.726 4.364 0.004 20 0 "[ . 1 . 2]" 2
843 1 56 TRP HB3 1 57 LEU HG . . 4.090 3.525 3.356 3.602 . 0 0 "[ . 1 . 2]" 2
844 1 56 TRP HE1 1 57 LEU MD2 . . 4.630 4.203 3.958 4.407 . 0 0 "[ . 1 . 2]" 2
845 1 57 LEU MD2 1 64 PRO HD3 . . 4.620 4.249 4.058 4.424 . 0 0 "[ . 1 . 2]" 2
846 1 57 LEU MD2 1 64 PRO HD2 . . 5.050 4.961 4.770 5.056 0.006 7 0 "[ . 1 . 2]" 2
847 1 28 VAL MG1 1 56 TRP HA . . 4.590 4.505 4.269 4.598 0.008 16 0 "[ . 1 . 2]" 2
848 1 28 VAL MG2 1 56 TRP HB3 . . 5.060 3.458 3.275 3.732 . 0 0 "[ . 1 . 2]" 2
849 1 28 VAL MG1 1 56 TRP HB3 . . 4.280 3.977 3.684 4.298 0.018 19 0 "[ . 1 . 2]" 2
850 1 55 LYS QB 1 56 TRP HB3 . . 5.160 4.741 4.560 4.921 . 0 0 "[ . 1 . 2]" 2
851 1 56 TRP HB3 1 57 LEU HB2 . . 5.500 4.715 4.547 4.927 . 0 0 "[ . 1 . 2]" 2
852 1 28 VAL HB 1 56 TRP HB2 . . 5.500 5.335 5.065 5.483 . 0 0 "[ . 1 . 2]" 2
853 1 56 TRP HB2 1 57 LEU HG . . 5.500 5.273 5.106 5.349 . 0 0 "[ . 1 . 2]" 2
854 1 54 ASP HA 1 57 LEU HB3 . . 5.070 4.833 4.477 5.065 . 0 0 "[ . 1 . 2]" 2
855 1 53 VAL MG2 1 54 ASP HA . . 5.500 4.012 3.886 4.253 . 0 0 "[ . 1 . 2]" 2
856 1 53 VAL HA 1 56 TRP HD1 . . 5.500 4.097 3.773 4.636 . 0 0 "[ . 1 . 2]" 2
857 1 53 VAL MG2 1 64 PRO HG3 . . 5.210 4.319 3.975 4.524 . 0 0 "[ . 1 . 2]" 2
858 1 53 VAL MG2 1 56 TRP H . . 5.500 4.706 4.505 5.009 . 0 0 "[ . 1 . 2]" 2
859 1 53 VAL MG2 1 54 ASP H . . 5.050 3.841 3.688 3.965 . 0 0 "[ . 1 . 2]" 2
860 1 53 VAL MG2 1 64 PRO HG2 . . 5.210 5.019 4.762 5.210 . 11 0 "[ . 1 . 2]" 2
861 1 42 LEU MD2 1 53 VAL MG2 . . 3.040 2.324 2.128 2.480 . 0 0 "[ . 1 . 2]" 2
862 1 28 VAL H 1 52 CYS HB3 . . 5.250 4.702 4.413 4.895 . 0 0 "[ . 1 . 2]" 2
863 1 49 HIS HB3 1 52 CYS HB2 . . 4.500 3.132 2.979 3.244 . 0 0 "[ . 1 . 2]" 2
864 1 48 PHE HB3 1 52 CYS HB2 . . 4.650 3.743 3.598 3.859 . 0 0 "[ . 1 . 2]" 2
865 1 49 HIS HB2 1 52 CYS HB2 . . 4.150 1.971 1.934 1.986 . 0 0 "[ . 1 . 2]" 2
866 1 50 ALA MB 1 51 LYS HA . . 4.750 3.894 3.821 3.963 . 0 0 "[ . 1 . 2]" 2
867 1 49 HIS HA 1 50 ALA MB . . 5.360 3.971 3.923 4.028 . 0 0 "[ . 1 . 2]" 2
868 1 48 PHE HB2 1 53 VAL H . . 5.010 4.261 4.041 4.436 . 0 0 "[ . 1 . 2]" 2
869 1 41 VAL HA 1 47 GLU HB2 . . 5.460 5.316 5.175 5.423 . 0 0 "[ . 1 . 2]" 2
870 1 41 VAL HA 1 47 GLU HB3 . . 4.930 4.531 4.302 4.684 . 0 0 "[ . 1 . 2]" 2
871 1 33 PHE HZ 1 47 GLU HG3 . . 5.500 5.263 4.837 5.514 0.014 12 0 "[ . 1 . 2]" 2
872 1 25 LEU HG 1 26 CYS HB3 . . 4.790 4.276 3.663 4.655 . 0 0 "[ . 1 . 2]" 2
873 1 46 HIS HB2 1 65 ILE HB . . 5.270 4.603 4.481 4.660 . 0 0 "[ . 1 . 2]" 2
874 1 46 HIS HB2 1 47 GLU H . . 4.340 4.251 4.206 4.301 . 0 0 "[ . 1 . 2]" 2
875 1 46 HIS HB3 1 65 ILE HB . . 4.650 4.260 4.131 4.344 . 0 0 "[ . 1 . 2]" 2
876 1 41 VAL MG1 1 45 ASN HB2 . . 5.320 5.172 4.765 5.348 0.028 10 0 "[ . 1 . 2]" 2
877 1 44 CYS HA 1 68 ALA MB . . 4.740 4.271 4.085 4.591 . 0 0 "[ . 1 . 2]" 2
878 1 43 PRO HB2 1 44 CYS HA . . 4.520 4.426 4.390 4.475 . 0 0 "[ . 1 . 2]" 2
879 1 44 CYS HA 1 46 HIS H . . 5.300 5.138 4.873 5.311 0.011 13 0 "[ . 1 . 2]" 2
880 1 9 LEU MD2 1 43 PRO HB3 . . 5.310 3.552 3.012 4.169 . 0 0 "[ . 1 . 2]" 2
881 1 43 PRO HB3 1 44 CYS H . . 4.630 4.532 4.514 4.558 . 0 0 "[ . 1 . 2]" 2
882 1 43 PRO HG3 1 44 CYS H . . 5.000 4.696 4.643 4.771 . 0 0 "[ . 1 . 2]" 2
883 1 42 LEU HB3 1 48 PHE HZ . . 5.500 5.326 5.230 5.505 0.005 19 0 "[ . 1 . 2]" 2
884 1 42 LEU HG 1 53 VAL MG2 . . 5.080 3.097 2.731 3.338 . 0 0 "[ . 1 . 2]" 2
885 1 42 LEU HG 1 43 PRO HD3 . . 5.200 4.986 4.941 5.031 . 0 0 "[ . 1 . 2]" 2
886 1 10 PRO QD 1 41 VAL HB . . 4.490 4.070 3.666 4.448 . 0 0 "[ . 1 . 2]" 2
887 1 41 VAL HB 1 42 LEU H . . 5.060 4.300 4.182 4.409 . 0 0 "[ . 1 . 2]" 2
888 1 40 ARG HB3 1 48 PHE HB2 . . 5.190 4.181 3.819 4.653 . 0 0 "[ . 1 . 2]" 2
889 1 40 ARG HB2 1 48 PHE HB2 . . 5.140 3.446 3.104 3.917 . 0 0 "[ . 1 . 2]" 2
890 1 40 ARG HG2 1 41 VAL H . . 4.870 4.466 3.724 4.833 . 0 0 "[ . 1 . 2]" 2
891 1 40 ARG H 1 40 ARG HG2 . . 5.030 3.525 3.139 4.122 . 0 0 "[ . 1 . 2]" 2
892 1 40 ARG HG3 1 41 VAL H . . 5.490 5.347 4.842 5.477 . 0 0 "[ . 1 . 2]" 2
893 1 33 PHE HA 1 39 LEU MD1 . . 5.300 4.014 3.741 4.250 . 0 0 "[ . 1 . 2]" 2
894 1 39 LEU MD1 1 49 HIS HA . . 5.500 4.586 4.255 4.930 . 0 0 "[ . 1 . 2]" 2
895 1 38 LEU HB3 1 39 LEU H . . 5.070 4.014 3.716 4.297 . 0 0 "[ . 1 . 2]" 2
896 1 38 LEU HB2 1 39 LEU H . . 5.340 4.415 4.237 4.586 . 0 0 "[ . 1 . 2]" 2
897 1 38 LEU HG 1 39 LEU H . . 4.880 3.480 2.463 4.821 . 0 0 "[ . 1 . 2]" 2
898 1 37 GLN HA 1 38 LEU HB2 . . 5.500 4.260 4.208 4.363 . 0 0 "[ . 1 . 2]" 2
899 1 37 GLN HB3 1 39 LEU MD2 . . 4.940 3.092 2.569 3.542 . 0 0 "[ . 1 . 2]" 2
900 1 16 PRO HG3 1 35 SER QB . . 3.990 2.557 2.066 2.967 . 0 0 "[ . 1 . 2]" 2
901 1 14 PHE QD 1 35 SER QB . . 3.730 3.015 2.292 3.681 . 0 0 "[ . 1 . 2]" 2
902 1 30 MET ME 1 30 MET HG3 . . 3.620 3.127 2.059 3.400 . 0 0 "[ . 1 . 2]" 2
903 1 27 VAL HA 1 30 MET ME . . 4.060 2.443 1.782 3.778 . 0 0 "[ . 1 . 2]" 2
904 1 27 VAL MG1 1 65 ILE HG13 . . 3.810 1.987 1.960 2.091 . 0 0 "[ . 1 . 2]" 2
905 1 27 VAL MG1 1 65 ILE HA . . 4.770 3.373 3.258 3.502 . 0 0 "[ . 1 . 2]" 2
906 1 27 VAL MG1 1 28 VAL HA . . 4.690 2.916 2.822 3.032 . 0 0 "[ . 1 . 2]" 2
907 1 27 VAL MG1 1 65 ILE MD . . 3.270 2.807 2.638 2.957 . 0 0 "[ . 1 . 2]" 2
908 1 27 VAL HA 1 30 MET HG2 . . 4.800 3.448 2.968 4.076 . 0 0 "[ . 1 . 2]" 2
909 1 27 VAL HB 1 48 PHE QE . . 3.790 2.938 2.808 3.160 . 0 0 "[ . 1 . 2]" 2
910 1 26 CYS HB2 1 33 PHE QD . . 4.340 3.173 2.866 3.752 . 0 0 "[ . 1 . 2]" 2
911 1 25 LEU HA 1 33 PHE QD . . 4.870 4.021 3.088 4.878 0.008 14 0 "[ . 1 . 2]" 2
912 1 24 THR HB 1 33 PHE QD . . 4.800 2.863 1.979 4.195 . 0 0 "[ . 1 . 2]" 2
913 1 23 GLN HA 1 25 LEU H . . 5.500 5.204 5.022 5.454 . 0 0 "[ . 1 . 2]" 2
914 1 13 ARG H 1 13 ARG HG2 . . 4.840 3.912 3.336 4.667 . 0 0 "[ . 1 . 2]" 2
915 1 14 PHE QE 1 16 PRO HB2 . . 4.540 3.838 3.483 4.452 . 0 0 "[ . 1 . 2]" 2
916 1 46 HIS HB2 1 48 PHE HZ . . 4.480 3.374 3.183 3.574 . 0 0 "[ . 1 . 2]" 2
917 1 33 PHE HZ 1 47 GLU HB2 . . 4.550 2.810 2.641 3.046 . 0 0 "[ . 1 . 2]" 2
918 1 9 LEU HA 1 9 LEU MD1 . . 4.770 3.853 3.291 3.933 . 0 0 "[ . 1 . 2]" 2
919 1 9 LEU HG 1 10 PRO QD . . 4.370 3.983 3.085 4.350 . 0 0 "[ . 1 . 2]" 2
920 1 24 THR HB 1 25 LEU H . . 5.500 4.074 3.794 4.499 . 0 0 "[ . 1 . 2]" 2
921 1 27 VAL MG2 1 28 VAL H . . 4.850 4.132 4.019 4.248 . 0 0 "[ . 1 . 2]" 2
922 1 30 MET HB3 1 30 MET ME . . 3.260 3.025 2.370 3.299 0.039 14 0 "[ . 1 . 2]" 2
923 1 25 LEU MD2 1 30 MET ME . . 3.600 2.331 1.634 3.533 . 0 0 "[ . 1 . 2]" 2
924 1 43 PRO HD2 1 70 SER HA . . 3.790 3.314 2.643 3.670 . 0 0 "[ . 1 . 2]" 2
925 1 43 PRO HD3 1 70 SER HA . . 4.350 4.004 3.288 4.360 0.010 13 0 "[ . 1 . 2]" 2
926 1 42 LEU HB3 1 43 PRO HD3 . . 3.750 3.408 3.372 3.426 . 0 0 "[ . 1 . 2]" 2
927 1 28 VAL MG2 1 48 PHE HZ . . 5.040 5.054 5.014 5.082 0.042 19 0 "[ . 1 . 2]" 2
928 1 49 HIS HB2 1 51 LYS HG3 . . 5.500 3.767 3.519 4.008 . 0 0 "[ . 1 . 2]" 2
929 1 52 CYS HA 1 55 LYS QD . . 4.260 4.072 3.360 4.289 0.029 19 0 "[ . 1 . 2]" 2
930 1 67 ARG H 1 67 ARG HD3 . . 5.380 4.334 2.258 5.395 0.015 20 0 "[ . 1 . 2]" 2
931 1 67 ARG H 1 67 ARG HD2 . . 5.380 3.822 2.097 5.331 . 0 0 "[ . 1 . 2]" 2
932 1 68 ALA HA 1 69 ASP HB3 . . 5.270 4.756 4.125 5.129 . 0 0 "[ . 1 . 2]" 2
933 1 68 ALA HA 1 69 ASP HB2 . . 5.270 4.498 4.286 5.488 0.218 16 0 "[ . 1 . 2]" 2
934 1 25 LEU H 1 25 LEU HG . . 5.170 4.680 4.553 4.732 . 0 0 "[ . 1 . 2]" 2
935 1 25 LEU HG 1 27 VAL HA . . 5.500 5.009 4.686 5.276 . 0 0 "[ . 1 . 2]" 2
936 1 25 LEU MD1 1 32 ASP HA . . 4.660 4.058 2.806 4.657 . 0 0 "[ . 1 . 2]" 2
937 1 7 GLY QA 1 8 GLN QG . . 4.540 3.776 3.299 4.444 . 0 0 "[ . 1 . 2]" 2
938 1 8 GLN H 1 8 GLN QB . . 3.530 2.560 2.237 3.281 . 0 0 "[ . 1 . 2]" 2
939 1 8 GLN QB 1 9 LEU H . . 3.870 2.972 2.067 3.862 . 0 0 "[ . 1 . 2]" 2
940 1 9 LEU MD1 1 40 ARG QD . . 3.270 2.159 1.909 2.701 . 0 0 "[ . 1 . 2]" 2
941 1 10 PRO QB 1 11 SER H . . 3.650 3.245 2.306 3.544 . 0 0 "[ . 1 . 2]" 2
942 1 10 PRO QB 1 41 VAL MG2 . . 5.050 4.895 4.535 5.056 0.006 11 0 "[ . 1 . 2]" 2
943 1 10 PRO QG 1 41 VAL MG2 . . 3.970 3.799 3.530 3.973 0.003 10 0 "[ . 1 . 2]" 2
944 1 12 TYR H 1 38 LEU QD . . 4.360 2.937 1.782 3.824 . 0 0 "[ . 1 . 2]" 2
945 1 12 TYR HA 1 38 LEU QD . . 4.940 3.659 2.629 4.606 . 0 0 "[ . 1 . 2]" 2
946 1 12 TYR QB 1 13 ARG H . . 3.690 2.780 2.605 2.937 . 0 0 "[ . 1 . 2]" 2
947 1 13 ARG H 1 13 ARG QB . . 3.520 2.350 2.215 2.461 . 0 0 "[ . 1 . 2]" 2
948 1 13 ARG H 1 13 ARG QG . . 4.160 2.837 2.358 4.031 . 0 0 "[ . 1 . 2]" 2
949 1 13 ARG HA 1 38 LEU QD . . 5.310 3.791 3.002 4.544 . 0 0 "[ . 1 . 2]" 2
950 1 13 ARG QB 1 13 ARG QG . . 2.320 2.073 2.020 2.086 . 0 0 "[ . 1 . 2]" 2
951 1 13 ARG QB 1 13 ARG QD . . 3.150 2.206 2.066 2.519 . 0 0 "[ . 1 . 2]" 2
952 1 13 ARG QB 1 14 PHE H . . 4.480 3.132 2.716 3.665 . 0 0 "[ . 1 . 2]" 2
953 1 13 ARG QB 1 36 ARG HA . . 3.790 2.690 1.971 3.598 . 0 0 "[ . 1 . 2]" 2
954 1 13 ARG QG 1 14 PHE H . . 4.800 3.915 2.940 4.185 . 0 0 "[ . 1 . 2]" 2
955 1 13 ARG QG 1 37 GLN HA . . 5.340 3.921 3.237 4.672 . 0 0 "[ . 1 . 2]" 2
956 1 13 ARG QG 1 38 LEU HA . . 3.810 3.269 2.030 3.731 . 0 0 "[ . 1 . 2]" 2
957 1 13 ARG QG 1 38 LEU QD . . 3.500 2.969 2.075 3.515 0.015 1 0 "[ . 1 . 2]" 2
958 1 13 ARG QG 1 39 LEU H . . 5.110 4.728 3.859 5.114 0.004 17 0 "[ . 1 . 2]" 2
959 1 13 ARG QD 1 36 ARG HA . . 4.220 3.195 2.071 4.198 . 0 0 "[ . 1 . 2]" 2
960 1 13 ARG QD 1 38 LEU QD . . 4.560 4.068 2.887 4.552 . 0 0 "[ . 1 . 2]" 2
961 1 14 PHE QB 1 35 SER HA . . 4.170 2.687 1.989 3.434 . 0 0 "[ . 1 . 2]" 2
962 1 14 PHE QB 1 36 ARG H . . 4.660 3.837 2.638 4.691 0.031 20 0 "[ . 1 . 2]" 2
963 1 14 PHE QB 1 37 GLN H . . 4.070 3.291 2.620 4.015 . 0 0 "[ . 1 . 2]" 2
964 1 14 PHE QB 1 39 LEU HG . . 4.050 3.283 2.623 3.644 . 0 0 "[ . 1 . 2]" 2
965 1 14 PHE QB 1 39 LEU MD1 . . 3.610 1.819 1.672 1.952 . 0 0 "[ . 1 . 2]" 2
966 1 14 PHE QB 1 39 LEU MD2 . . 3.860 3.597 3.192 3.873 0.013 14 0 "[ . 1 . 2]" 2
967 1 14 PHE QD 1 16 PRO QD . . 4.160 2.419 1.978 3.056 . 0 0 "[ . 1 . 2]" 2
968 1 14 PHE QE 1 16 PRO QG . . 3.860 3.541 2.545 3.883 0.023 20 0 "[ . 1 . 2]" 2
969 1 14 PHE QE 1 16 PRO QD . . 4.150 2.769 2.035 3.202 . 0 0 "[ . 1 . 2]" 2
970 1 15 ASN H 1 15 ASN QB . . 3.340 2.645 2.319 3.224 . 0 0 "[ . 1 . 2]" 2
971 1 15 ASN HA 1 16 PRO QD . . 3.100 1.865 1.851 1.908 . 0 0 "[ . 1 . 2]" 2
972 1 15 ASN QB 1 15 ASN QD . . 3.100 2.200 2.063 2.506 . 0 0 "[ . 1 . 2]" 2
973 1 15 ASN QB 1 16 PRO QD . . 5.050 3.264 2.724 3.661 . 0 0 "[ . 1 . 2]" 2
974 1 15 ASN QB 1 17 ASN H . . 5.180 2.812 2.356 3.389 . 0 0 "[ . 1 . 2]" 2
975 1 15 ASN QB 1 18 ASN H . . 4.010 2.593 2.160 3.074 . 0 0 "[ . 1 . 2]" 2
976 1 16 PRO QG 1 17 ASN H . . 4.000 3.144 2.244 3.474 . 0 0 "[ . 1 . 2]" 2
977 1 16 PRO QG 1 35 SER HA . . 5.350 4.393 3.671 5.175 . 0 0 "[ . 1 . 2]" 2
978 1 16 PRO QD 1 17 ASN H . . 4.250 2.898 2.605 3.095 . 0 0 "[ . 1 . 2]" 2
979 1 16 PRO QD 1 35 SER HA . . 3.890 3.081 2.329 3.407 . 0 0 "[ . 1 . 2]" 2
980 1 16 PRO QD 1 35 SER QB . . 4.350 2.337 1.740 2.862 . 0 0 "[ . 1 . 2]" 2
981 1 16 PRO QD 1 36 ARG H . . 5.350 4.403 3.515 5.461 0.111 20 0 "[ . 1 . 2]" 2
982 1 17 ASN H 1 17 ASN QB . . 3.300 2.414 2.222 2.665 . 0 0 "[ . 1 . 2]" 2
983 1 17 ASN QB 1 18 ASN H . . 4.110 2.581 2.176 3.633 . 0 0 "[ . 1 . 2]" 2
984 1 20 GLN QG 1 21 SER QB . . 4.480 3.392 2.711 4.458 . 0 0 "[ . 1 . 2]" 2
985 1 21 SER QB 1 22 GLU H . . 3.770 2.684 2.091 3.749 . 0 0 "[ . 1 . 2]" 2
986 1 21 SER QB 1 23 GLN HB3 . . 5.340 4.630 3.395 5.351 0.011 1 0 "[ . 1 . 2]" 2
987 1 22 GLU H 1 22 GLU QG . . 3.730 2.227 1.877 2.925 . 0 0 "[ . 1 . 2]" 2
988 1 22 GLU QG 1 23 GLN H . . 3.300 2.701 1.857 3.322 0.022 5 0 "[ . 1 . 2]" 2
989 1 23 GLN HA 1 25 LEU QB . . 5.340 4.647 4.301 5.262 . 0 0 "[ . 1 . 2]" 2
990 1 23 GLN HE21 1 47 GLU QG . . 5.210 4.671 4.172 5.078 . 0 0 "[ . 1 . 2]" 2
991 1 23 GLN HE22 1 47 GLU QG . . 5.340 5.282 4.930 5.363 0.023 17 0 "[ . 1 . 2]" 2
992 1 25 LEU H 1 25 LEU QB . . 3.540 2.642 2.595 2.676 . 0 0 "[ . 1 . 2]" 2
993 1 25 LEU HA 1 32 ASP QB . . 5.340 3.880 3.045 4.947 . 0 0 "[ . 1 . 2]" 2
994 1 25 LEU QB 1 25 LEU MD1 . . 3.190 2.019 1.927 2.097 . 0 0 "[ . 1 . 2]" 2
995 1 25 LEU QB 1 26 CYS H . . 3.710 3.495 3.398 3.639 . 0 0 "[ . 1 . 2]" 2
996 1 25 LEU QB 1 32 ASP HA . . 4.160 3.820 2.975 4.182 0.022 7 0 "[ . 1 . 2]" 2
997 1 26 CYS HB3 1 31 CYS QB . . 5.190 3.255 2.570 3.884 . 0 0 "[ . 1 . 2]" 2
998 1 28 VAL MG1 1 29 CYS QB . . 4.020 3.232 3.000 3.385 . 0 0 "[ . 1 . 2]" 2
999 1 28 VAL MG2 1 64 PRO QG . . 3.920 2.345 2.149 2.565 . 0 0 "[ . 1 . 2]" 2
1000 1 29 CYS H 1 29 CYS QB . . 3.290 2.727 2.653 2.791 . 0 0 "[ . 1 . 2]" 2
1001 1 29 CYS QB 1 30 MET H . . 4.340 4.002 3.873 4.032 . 0 0 "[ . 1 . 2]" 2
1002 1 31 CYS H 1 31 CYS QB . . 3.110 2.613 2.446 2.707 . 0 0 "[ . 1 . 2]" 2
1003 1 31 CYS QB 1 49 HIS HE1 . . 3.360 2.810 1.985 3.293 . 0 0 "[ . 1 . 2]" 2
1004 1 32 ASP H 1 32 ASP QB . . 3.320 2.411 2.126 2.871 . 0 0 "[ . 1 . 2]" 2
1005 1 32 ASP QB 1 33 PHE H . . 3.770 3.149 2.164 3.783 0.013 6 0 "[ . 1 . 2]" 2
1006 1 33 PHE QE 1 47 GLU QG . . 4.010 3.656 3.165 4.007 . 0 0 "[ . 1 . 2]" 2
1007 1 33 PHE HZ 1 47 GLU QG . . 4.730 4.679 4.531 4.747 0.017 8 0 "[ . 1 . 2]" 2
1008 1 34 GLU H 1 34 GLU QB . . 3.370 2.304 2.166 2.533 . 0 0 "[ . 1 . 2]" 2
1009 1 34 GLU H 1 37 GLN QB . . 4.430 3.340 2.218 4.035 . 0 0 "[ . 1 . 2]" 2
1010 1 34 GLU QB 1 35 SER H . . 3.630 2.537 1.845 3.591 . 0 0 "[ . 1 . 2]" 2
1011 1 34 GLU QB 1 35 SER HA . . 5.340 4.436 4.142 5.006 . 0 0 "[ . 1 . 2]" 2
1012 1 34 GLU QB 1 37 GLN QG . . 3.420 2.110 1.684 3.440 0.020 16 0 "[ . 1 . 2]" 2
1013 1 34 GLU QB 1 37 GLN QE . . 3.860 2.619 1.997 3.233 . 0 0 "[ . 1 . 2]" 2
1014 1 35 SER QB 1 36 ARG QG . . 4.120 3.466 2.083 4.174 0.054 3 0 "[ . 1 . 2]" 2
1015 1 36 ARG H 1 36 ARG QG . . 4.150 2.980 2.132 3.885 . 0 0 "[ . 1 . 2]" 2
1016 1 36 ARG HA 1 36 ARG QG . . 3.500 2.597 2.220 3.429 . 0 0 "[ . 1 . 2]" 2
1017 1 36 ARG QB 1 36 ARG QG . . 2.360 2.048 2.009 2.087 . 0 0 "[ . 1 . 2]" 2
1018 1 36 ARG QB 1 36 ARG QD . . 3.130 2.196 2.064 2.594 . 0 0 "[ . 1 . 2]" 2
1019 1 37 GLN H 1 37 GLN QG . . 3.180 3.102 2.930 3.271 0.091 10 0 "[ . 1 . 2]" 2
1020 1 37 GLN HA 1 37 GLN QG . . 3.490 2.616 2.347 3.017 . 0 0 "[ . 1 . 2]" 2
1021 1 37 GLN QB 1 38 LEU H . . 3.400 2.953 2.654 3.114 . 0 0 "[ . 1 . 2]" 2
1022 1 37 GLN QB 1 39 LEU MD2 . . 4.190 2.596 2.262 2.945 . 0 0 "[ . 1 . 2]" 2
1023 1 37 GLN QB 1 49 HIS HD2 . . 3.990 3.780 3.512 3.998 0.008 17 0 "[ . 1 . 2]" 2
1024 1 37 GLN QE 1 37 GLN QG . . 3.060 2.217 2.067 2.696 . 0 0 "[ . 1 . 2]" 2
1025 1 38 LEU H 1 38 LEU QD . . 4.050 3.509 3.379 3.606 . 0 0 "[ . 1 . 2]" 2
1026 1 38 LEU HA 1 38 LEU QD . . 3.180 2.122 1.890 2.433 . 0 0 "[ . 1 . 2]" 2
1027 1 38 LEU HB2 1 38 LEU QD . . 3.090 2.131 2.009 2.301 . 0 0 "[ . 1 . 2]" 2
1028 1 38 LEU HB3 1 38 LEU QD . . 3.050 2.182 1.997 2.311 . 0 0 "[ . 1 . 2]" 2
1029 1 38 LEU QD 1 39 LEU H . . 4.130 3.024 2.149 3.613 . 0 0 "[ . 1 . 2]" 2
1030 1 38 LEU QD 1 50 ALA H . . 5.440 4.602 3.496 5.175 . 0 0 "[ . 1 . 2]" 2
1031 1 38 LEU QD 1 50 ALA MB . . 3.230 2.412 1.943 2.826 . 0 0 "[ . 1 . 2]" 2
1032 1 39 LEU QB 1 40 ARG H . . 3.430 2.586 2.208 2.928 . 0 0 "[ . 1 . 2]" 2
1033 1 39 LEU QB 1 48 PHE H . . 4.510 3.250 3.014 3.678 . 0 0 "[ . 1 . 2]" 2
1034 1 39 LEU QB 1 50 ALA H . . 4.440 3.930 3.737 4.124 . 0 0 "[ . 1 . 2]" 2
1035 1 40 ARG H 1 40 ARG QD . . 5.340 4.569 4.326 4.877 . 0 0 "[ . 1 . 2]" 2
1036 1 40 ARG HA 1 40 ARG QD . . 4.200 2.673 2.036 3.722 . 0 0 "[ . 1 . 2]" 2
1037 1 40 ARG HB2 1 40 ARG QD . . 3.430 3.155 2.650 3.372 . 0 0 "[ . 1 . 2]" 2
1038 1 40 ARG QD 1 41 VAL H . . 5.120 3.682 3.141 4.733 . 0 0 "[ . 1 . 2]" 2
1039 1 40 ARG QD 1 50 ALA HA . . 4.630 4.169 2.887 4.638 0.008 11 0 "[ . 1 . 2]" 2
1040 1 40 ARG QD 1 53 VAL MG1 . . 4.320 3.535 2.237 4.171 . 0 0 "[ . 1 . 2]" 2
1041 1 41 VAL HA 1 47 GLU QG . . 4.460 3.858 3.493 4.121 . 0 0 "[ . 1 . 2]" 2
1042 1 41 VAL MG1 1 45 ASN QB . . 4.620 4.451 4.321 4.620 0.000 14 0 "[ . 1 . 2]" 2
1043 1 41 VAL MG2 1 47 GLU QG . . 2.610 2.327 1.950 2.616 0.006 10 0 "[ . 1 . 2]" 2
1044 1 42 LEU MD1 1 70 SER QB . . 4.130 3.601 3.033 4.096 . 0 0 "[ . 1 . 2]" 2
1045 1 42 LEU MD2 1 70 SER QB . . 3.330 2.789 2.385 3.288 . 0 0 "[ . 1 . 2]" 2
1046 1 43 PRO HG2 1 70 SER QB . . 4.300 3.929 3.240 4.312 0.012 15 0 "[ . 1 . 2]" 2
1047 1 44 CYS H 1 44 CYS QB . . 3.210 3.016 2.949 3.076 . 0 0 "[ . 1 . 2]" 2
1048 1 44 CYS QB 1 68 ALA MB . . 3.160 2.369 2.220 2.696 . 0 0 "[ . 1 . 2]" 2
1049 1 45 ASN H 1 45 ASN QB . . 3.700 3.240 2.992 3.470 . 0 0 "[ . 1 . 2]" 2
1050 1 45 ASN QB 1 46 HIS H . . 4.200 3.922 3.868 4.012 . 0 0 "[ . 1 . 2]" 2
1051 1 45 ASN QD 1 46 HIS H . . 5.340 4.943 4.442 5.334 . 0 0 "[ . 1 . 2]" 2
1052 1 46 HIS HE1 1 66 CYS QB . . 3.090 2.063 1.983 2.253 . 0 0 "[ . 1 . 2]" 2
1053 1 47 GLU HA 1 47 GLU QG . . 3.470 2.494 2.311 2.602 . 0 0 "[ . 1 . 2]" 2
1054 1 47 GLU QG 1 48 PHE H . . 4.330 4.117 3.986 4.275 . 0 0 "[ . 1 . 2]" 2
1055 1 48 PHE QE 1 64 PRO QG . . 4.740 2.066 1.967 2.260 . 0 0 "[ . 1 . 2]" 2
1056 1 48 PHE HZ 1 64 PRO QG . . 4.810 3.292 3.096 3.467 . 0 0 "[ . 1 . 2]" 2
1057 1 51 LYS H 1 51 LYS QB . . 3.080 2.704 2.644 2.745 . 0 0 "[ . 1 . 2]" 2
1058 1 51 LYS HA 1 51 LYS QD . . 4.560 4.377 4.250 4.504 . 0 0 "[ . 1 . 2]" 2
1059 1 51 LYS HA 1 54 ASP QB . . 3.640 2.671 2.448 2.905 . 0 0 "[ . 1 . 2]" 2
1060 1 53 VAL MG2 1 64 PRO QG . . 4.350 4.080 3.787 4.261 . 0 0 "[ . 1 . 2]" 2
1061 1 54 ASP H 1 54 ASP QB . . 3.320 2.208 2.151 2.262 . 0 0 "[ . 1 . 2]" 2
1062 1 54 ASP QB 1 55 LYS H . . 3.900 2.498 2.178 2.779 . 0 0 "[ . 1 . 2]" 2
1063 1 55 LYS H 1 55 LYS QG . . 4.470 3.577 1.860 4.051 . 0 0 "[ . 1 . 2]" 2
1064 1 55 LYS HA 1 55 LYS QG . . 3.360 2.409 2.182 3.076 . 0 0 "[ . 1 . 2]" 2
1065 1 55 LYS HA 1 58 LYS QB . . 3.530 2.781 2.617 3.037 . 0 0 "[ . 1 . 2]" 2
1066 1 55 LYS QE 1 55 LYS QG . . 3.380 2.174 2.006 2.386 . 0 0 "[ . 1 . 2]" 2
1067 1 55 LYS QG 1 56 TRP H . . 4.780 3.975 3.318 4.469 . 0 0 "[ . 1 . 2]" 2
1068 1 56 TRP HA 1 60 ASN QD . . 4.960 4.660 3.850 4.970 0.010 7 0 "[ . 1 . 2]" 2
1069 1 56 TRP HD1 1 60 ASN QB . . 4.980 4.148 3.347 4.407 . 0 0 "[ . 1 . 2]" 2
1070 1 57 LEU MD2 1 70 SER QB . . 3.100 2.641 2.283 3.027 . 0 0 "[ . 1 . 2]" 2
1071 1 58 LYS H 1 58 LYS QB . . 2.900 2.150 2.121 2.244 . 0 0 "[ . 1 . 2]" 2
1072 1 58 LYS HA 1 58 LYS QG . . 3.210 2.326 2.148 3.252 0.042 7 0 "[ . 1 . 2]" 2
1073 1 58 LYS QB 1 59 ALA H . . 3.560 2.621 2.430 3.392 . 0 0 "[ . 1 . 2]" 2
1074 1 58 LYS QB 1 59 ALA MB . . 4.480 3.636 3.499 4.393 . 0 0 "[ . 1 . 2]" 2
1075 1 58 LYS QG 1 59 ALA H . . 5.070 4.100 2.085 4.582 . 0 0 "[ . 1 . 2]" 2
1076 1 58 LYS QG 1 59 ALA MB . . 5.340 4.895 2.616 5.396 0.056 13 0 "[ . 1 . 2]" 2
1077 1 59 ALA MB 1 60 ASN QD . . 3.940 2.554 1.843 3.616 . 0 0 "[ . 1 . 2]" 2
1078 1 60 ASN H 1 60 ASN QB . . 3.430 2.637 2.451 2.798 . 0 0 "[ . 1 . 2]" 2
1079 1 60 ASN H 1 60 ASN QD . . 4.980 3.246 2.568 4.068 . 0 0 "[ . 1 . 2]" 2
1080 1 60 ASN QB 1 62 THR H . . 3.760 2.850 2.601 3.074 . 0 0 "[ . 1 . 2]" 2
1081 1 61 ARG QB 1 62 THR MG . . 5.080 3.619 3.108 4.160 . 0 0 "[ . 1 . 2]" 2
1082 1 61 ARG QG 1 62 THR MG . . 4.730 3.654 2.448 4.779 0.049 15 0 "[ . 1 . 2]" 2
1083 1 62 THR HB 1 67 ARG QB . . 4.620 3.751 3.167 4.091 . 0 0 "[ . 1 . 2]" 2
1084 1 62 THR MG 1 67 ARG QB . . 5.030 4.001 3.532 4.368 . 0 0 "[ . 1 . 2]" 2
1085 1 63 CYS HA 1 64 PRO QG . . 4.440 3.799 3.782 3.813 . 0 0 "[ . 1 . 2]" 2
1086 1 65 ILE MG 1 66 CYS QB . . 3.940 3.122 2.791 3.250 . 0 0 "[ . 1 . 2]" 2
1087 1 66 CYS QB 1 67 ARG H . . 4.080 3.999 3.892 4.017 . 0 0 "[ . 1 . 2]" 2
1088 1 67 ARG H 1 67 ARG QB . . 3.450 3.060 2.770 3.196 . 0 0 "[ . 1 . 2]" 2
1089 1 67 ARG H 1 67 ARG QG . . 3.970 2.917 2.469 3.368 . 0 0 "[ . 1 . 2]" 2
1090 1 67 ARG H 1 67 ARG QD . . 4.680 3.427 2.083 4.619 . 0 0 "[ . 1 . 2]" 2
1091 1 67 ARG HA 1 67 ARG QD . . 4.510 3.420 2.006 4.330 . 0 0 "[ . 1 . 2]" 2
1092 1 67 ARG QB 1 67 ARG QD . . 2.960 2.216 2.081 2.665 . 0 0 "[ . 1 . 2]" 2
1093 1 68 ALA HA 1 69 ASP QB . . 4.400 4.076 4.013 4.192 . 0 0 "[ . 1 . 2]" 2
1094 1 68 ALA MB 1 69 ASP QB . . 4.820 4.234 3.089 4.544 . 0 0 "[ . 1 . 2]" 2
1095 1 69 ASP QB 1 70 SER H . . 3.980 3.740 3.353 3.894 . 0 0 "[ . 1 . 2]" 2
1096 1 69 ASP QB 1 71 GLY H . . 4.610 3.900 2.971 4.528 . 0 0 "[ . 1 . 2]" 2
1097 1 70 SER H 1 70 SER QB . . 3.540 2.490 2.198 2.869 . 0 0 "[ . 1 . 2]" 2
1098 1 70 SER QB 1 71 GLY H . . 4.280 3.304 2.336 4.043 . 0 0 "[ . 1 . 2]" 2
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