NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506421 |
1x4u   |
11131 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4u
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 255
_Distance_constraint_stats_list.Viol_total 35.514
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0070
_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 17 CYS 0.048 0.009 19 0 "[ . 1 . 2]"
1 20 CYS 0.236 0.023 15 0 "[ . 1 . 2]"
1 33 CYS 0.611 0.026 8 0 "[ . 1 . 2]"
1 36 CYS 0.266 0.013 5 0 "[ . 1 . 2]"
1 41 CYS 0.073 0.010 20 0 "[ . 1 . 2]"
1 44 CYS 0.112 0.011 14 0 "[ . 1 . 2]"
1 69 CYS 0.438 0.017 5 0 "[ . 1 . 2]"
1 72 CYS 0.514 0.022 4 0 "[ . 1 . 2]"
2 1 ZN 0.353 0.023 15 0 "[ . 1 . 2]"
3 1 ZN 0.900 0.026 8 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 17 CYS SG 2 1 ZN ZN . 2.330 2.370 2.332 2.321 2.350 0.009 19 0 "[ . 1 . 2]" 1
2 1 20 CYS SG 2 1 ZN ZN . 2.330 2.370 2.325 2.307 2.334 0.023 15 0 "[ . 1 . 2]" 1
3 1 41 CYS SG 2 1 ZN ZN . 2.330 2.370 2.338 2.321 2.370 0.009 19 0 "[ . 1 . 2]" 1
4 1 44 CYS SG 2 1 ZN ZN . 2.330 2.370 2.335 2.322 2.363 0.008 19 0 "[ . 1 . 2]" 1
5 1 17 CYS CB 2 1 ZN ZN . 3.250 3.510 3.312 3.249 3.421 0.001 5 0 "[ . 1 . 2]" 1
6 1 20 CYS CB 2 1 ZN ZN . 3.250 3.510 3.481 3.344 3.528 0.018 20 0 "[ . 1 . 2]" 1
7 1 41 CYS CB 2 1 ZN ZN . 3.250 3.510 3.501 3.439 3.520 0.010 20 0 "[ . 1 . 2]" 1
8 1 44 CYS CB 2 1 ZN ZN . 3.250 3.510 3.262 3.239 3.322 0.011 14 0 "[ . 1 . 2]" 1
9 1 17 CYS SG 1 20 CYS SG . 3.200 4.000 3.887 3.649 4.003 0.003 6 0 "[ . 1 . 2]" 1
10 1 17 CYS SG 1 41 CYS SG . 3.200 4.000 3.923 3.808 4.001 0.001 10 0 "[ . 1 . 2]" 1
11 1 17 CYS SG 1 44 CYS SG . 3.200 4.000 3.812 3.613 3.908 . 0 0 "[ . 1 . 2]" 1
12 1 20 CYS SG 1 44 CYS SG . 3.200 4.000 4.001 3.973 4.010 0.010 15 0 "[ . 1 . 2]" 1
13 1 20 CYS SG 1 41 CYS SG . 3.200 4.000 3.608 3.358 3.861 . 0 0 "[ . 1 . 2]" 1
14 1 41 CYS SG 1 44 CYS SG . 3.200 4.000 3.526 3.349 3.696 . 0 0 "[ . 1 . 2]" 1
15 1 33 CYS SG 3 1 ZN ZN . 2.330 2.370 2.342 2.320 2.374 0.010 5 0 "[ . 1 . 2]" 1
16 1 36 CYS SG 3 1 ZN ZN . 2.330 2.370 2.325 2.317 2.330 0.013 5 0 "[ . 1 . 2]" 1
17 1 69 CYS SG 3 1 ZN ZN . 2.330 2.370 2.321 2.313 2.328 0.017 5 0 "[ . 1 . 2]" 1
18 1 72 CYS SG 3 1 ZN ZN . 2.330 2.370 2.316 2.308 2.325 0.022 4 0 "[ . 1 . 2]" 1
19 1 33 CYS CB 3 1 ZN ZN . 3.250 3.510 3.237 3.224 3.243 0.026 8 0 "[ . 1 . 2]" 1
20 1 36 CYS CB 3 1 ZN ZN . 3.250 3.510 3.262 3.241 3.311 0.009 19 0 "[ . 1 . 2]" 1
21 1 69 CYS CB 3 1 ZN ZN . 3.250 3.510 3.463 3.402 3.515 0.005 18 0 "[ . 1 . 2]" 1
22 1 72 CYS CB 3 1 ZN ZN . 3.250 3.510 3.409 3.271 3.494 . 0 0 "[ . 1 . 2]" 1
23 1 33 CYS SG 1 36 CYS SG . 3.200 4.000 3.521 3.405 3.643 . 0 0 "[ . 1 . 2]" 1
24 1 33 CYS SG 1 69 CYS SG . 3.200 4.000 4.004 3.987 4.010 0.010 8 0 "[ . 1 . 2]" 1
25 1 33 CYS SG 1 72 CYS SG . 3.200 4.000 4.011 4.005 4.020 0.020 4 0 "[ . 1 . 2]" 1
26 1 36 CYS SG 1 69 CYS SG . 3.200 4.000 4.007 4.003 4.013 0.013 5 0 "[ . 1 . 2]" 1
27 1 36 CYS SG 1 72 CYS SG . 3.200 4.000 3.799 3.678 3.895 . 0 0 "[ . 1 . 2]" 1
28 1 69 CYS SG 1 72 CYS SG . 3.200 4.000 3.380 3.194 3.558 0.006 19 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 1155
_Distance_constraint_stats_list.Viol_count 594
_Distance_constraint_stats_list.Viol_total 174.777
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0147
_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 ARG 0.001 0.001 2 0 "[ . 1 . 2]"
1 9 TYR 0.273 0.111 16 0 "[ . 1 . 2]"
1 10 PRO 0.272 0.111 16 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 0.037 0.007 11 0 "[ . 1 . 2]"
1 17 CYS 0.339 0.029 4 0 "[ . 1 . 2]"
1 18 THR 0.166 0.026 3 0 "[ . 1 . 2]"
1 19 GLY 0.109 0.030 7 0 "[ . 1 . 2]"
1 20 CYS 0.078 0.033 14 0 "[ . 1 . 2]"
1 21 SER 0.022 0.008 18 0 "[ . 1 . 2]"
1 22 ALA 0.347 0.039 4 0 "[ . 1 . 2]"
1 23 THR 0.263 0.039 4 0 "[ . 1 . 2]"
1 24 PHE 0.195 0.025 19 0 "[ . 1 . 2]"
1 25 SER 0.010 0.010 20 0 "[ . 1 . 2]"
1 26 VAL 0.053 0.028 20 0 "[ . 1 . 2]"
1 27 LEU 0.140 0.031 2 0 "[ . 1 . 2]"
1 28 LYS 0.152 0.035 4 0 "[ . 1 . 2]"
1 29 LYS 0.375 0.071 15 0 "[ . 1 . 2]"
1 30 ARG 0.836 0.098 11 0 "[ . 1 . 2]"
1 31 ARG 0.564 0.057 5 0 "[ . 1 . 2]"
1 32 SER 0.138 0.023 8 0 "[ . 1 . 2]"
1 33 CYS 0.636 0.036 12 0 "[ . 1 . 2]"
1 34 SER 0.013 0.006 14 0 "[ . 1 . 2]"
1 35 ASN 0.988 0.043 12 0 "[ . 1 . 2]"
1 36 CYS 0.852 0.043 12 0 "[ . 1 . 2]"
1 37 GLY 0.395 0.036 12 0 "[ . 1 . 2]"
1 38 ASN 0.125 0.015 7 0 "[ . 1 . 2]"
1 39 SER 0.165 0.034 19 0 "[ . 1 . 2]"
1 40 PHE 0.377 0.041 20 0 "[ . 1 . 2]"
1 41 CYS 0.346 0.029 4 0 "[ . 1 . 2]"
1 42 SER 0.076 0.026 5 0 "[ . 1 . 2]"
1 43 ARG 0.245 0.044 14 0 "[ . 1 . 2]"
1 44 CYS 0.309 0.042 15 0 "[ . 1 . 2]"
1 45 CYS 0.229 0.031 20 0 "[ . 1 . 2]"
1 46 SER 0.102 0.015 6 0 "[ . 1 . 2]"
1 47 PHE 0.050 0.011 10 0 "[ . 1 . 2]"
1 48 LYS 0.154 0.016 4 0 "[ . 1 . 2]"
1 49 VAL 0.206 0.028 20 0 "[ . 1 . 2]"
1 50 PRO 0.102 0.025 6 0 "[ . 1 . 2]"
1 51 LYS 1.032 0.189 10 0 "[ . 1 . 2]"
1 52 SER 0.037 0.034 16 0 "[ . 1 . 2]"
1 53 SER 0.009 0.009 6 0 "[ . 1 . 2]"
1 54 MET 0.115 0.051 11 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.053 0.023 2 0 "[ . 1 . 2]"
1 61 ALA 0.074 0.022 13 0 "[ . 1 . 2]"
1 62 GLN 0.263 0.070 16 0 "[ . 1 . 2]"
1 63 ARG 0.110 0.051 14 0 "[ . 1 . 2]"
1 64 GLU 0.421 0.071 19 0 "[ . 1 . 2]"
1 65 THR 0.261 0.060 15 0 "[ . 1 . 2]"
1 66 VAL 0.754 0.068 16 0 "[ . 1 . 2]"
1 67 PHE 0.033 0.014 10 0 "[ . 1 . 2]"
1 68 VAL 0.509 0.068 11 0 "[ . 1 . 2]"
1 69 CYS 0.118 0.028 20 0 "[ . 1 . 2]"
1 70 ALA 0.005 0.005 13 0 "[ . 1 . 2]"
1 71 SER 0.058 0.015 15 0 "[ . 1 . 2]"
1 72 CYS 0.436 0.033 8 0 "[ . 1 . 2]"
1 73 ASN 0.583 0.068 11 0 "[ . 1 . 2]"
1 74 GLN 0.122 0.015 15 0 "[ . 1 . 2]"
1 75 THR 0.103 0.019 3 0 "[ . 1 . 2]"
1 76 LEU 0.096 0.022 19 0 "[ . 1 . 2]"
1 77 SER 0.029 0.012 10 0 "[ . 1 . 2]"
1 78 LYS 0.022 0.012 10 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLY 0.010 0.010 4 0 "[ . 1 . 2]"
1 81 PRO 0.010 0.010 4 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 47 PHE QD 1 48 LYS H . . 4.200 4.170 4.100 4.209 0.009 5 0 "[ . 1 . 2]" 2
2 1 48 LYS H 1 67 PHE HA . . 4.800 4.667 4.490 4.810 0.010 18 0 "[ . 1 . 2]" 2
3 1 47 PHE HA 1 48 LYS H . . 2.520 2.142 2.138 2.155 . 0 0 "[ . 1 . 2]" 2
4 1 47 PHE HB2 1 48 LYS H . . 4.620 4.363 4.236 4.482 . 0 0 "[ . 1 . 2]" 2
5 1 47 PHE HB3 1 48 LYS H . . 3.730 3.495 3.280 3.723 . 0 0 "[ . 1 . 2]" 2
6 1 48 LYS H 1 48 LYS HB2 . . 2.960 2.332 2.210 2.423 . 0 0 "[ . 1 . 2]" 2
7 1 48 LYS H 1 48 LYS HB3 . . 3.770 3.583 3.508 3.639 . 0 0 "[ . 1 . 2]" 2
8 1 48 LYS H 1 48 LYS HG2 . . 4.010 3.802 3.678 4.017 0.007 7 0 "[ . 1 . 2]" 2
9 1 48 LYS H 1 48 LYS HG3 . . 3.650 2.798 2.620 3.113 . 0 0 "[ . 1 . 2]" 2
10 1 48 LYS H 1 67 PHE QD . . 4.730 4.165 3.768 4.726 . 0 0 "[ . 1 . 2]" 2
11 1 56 ALA H 1 56 ALA MB . . 3.580 2.334 2.052 2.781 . 0 0 "[ . 1 . 2]" 2
12 1 36 CYS HB3 1 37 GLY H . . 4.580 3.878 3.831 3.931 . 0 0 "[ . 1 . 2]" 2
13 1 36 CYS HB2 1 37 GLY H . . 4.450 3.937 3.806 4.036 . 0 0 "[ . 1 . 2]" 2
14 1 35 ASN H 1 37 GLY H . . 3.750 3.409 3.271 3.528 . 0 0 "[ . 1 . 2]" 2
15 1 33 CYS H 1 37 GLY H . . 4.270 4.258 4.144 4.306 0.036 12 0 "[ . 1 . 2]" 2
16 1 37 GLY H 1 37 GLY HA2 . . 2.870 2.316 2.304 2.340 . 0 0 "[ . 1 . 2]" 2
17 1 33 CYS HB2 1 37 GLY H . . 3.940 3.562 3.520 3.589 . 0 0 "[ . 1 . 2]" 2
18 1 47 PHE H 1 68 VAL H . . 4.200 3.098 2.632 3.707 . 0 0 "[ . 1 . 2]" 2
19 1 47 PHE H 1 48 LYS H . . 4.440 4.269 4.203 4.336 . 0 0 "[ . 1 . 2]" 2
20 1 47 PHE H 1 47 PHE QD . . 3.020 2.929 2.769 3.026 0.006 4 0 "[ . 1 . 2]" 2
21 1 46 SER H 1 47 PHE H . . 2.890 2.774 2.527 2.885 . 0 0 "[ . 1 . 2]" 2
22 1 47 PHE H 1 67 PHE QD . . 4.120 3.067 2.521 3.656 . 0 0 "[ . 1 . 2]" 2
23 1 45 CYS HA 1 47 PHE H . . 3.920 3.423 3.268 3.601 . 0 0 "[ . 1 . 2]" 2
24 1 46 SER HA 1 47 PHE H . . 3.500 2.823 2.721 2.934 . 0 0 "[ . 1 . 2]" 2
25 1 47 PHE H 1 47 PHE HB2 . . 2.990 2.533 2.408 2.608 . 0 0 "[ . 1 . 2]" 2
26 1 47 PHE H 1 47 PHE HB3 . . 3.750 3.715 3.637 3.761 0.011 10 0 "[ . 1 . 2]" 2
27 1 47 PHE H 1 68 VAL MG2 . . 4.310 3.804 3.619 4.161 . 0 0 "[ . 1 . 2]" 2
28 1 42 SER H 1 43 ARG H . . 3.630 2.615 2.491 2.801 . 0 0 "[ . 1 . 2]" 2
29 1 43 ARG H 1 44 CYS HA . . 4.760 4.682 4.561 4.802 0.042 15 0 "[ . 1 . 2]" 2
30 1 41 CYS HB2 1 43 ARG H . . 3.680 2.918 2.753 3.199 . 0 0 "[ . 1 . 2]" 2
31 1 41 CYS HB3 1 43 ARG H . . 4.160 4.059 4.011 4.165 0.005 13 0 "[ . 1 . 2]" 2
32 1 43 ARG H 1 43 ARG HB2 . . 3.020 2.582 2.324 3.017 . 0 0 "[ . 1 . 2]" 2
33 1 45 CYS HG 1 47 PHE H . . 4.780 4.038 3.747 4.658 . 0 0 "[ . 1 . 2]" 2
34 1 28 LYS H 1 28 LYS HB3 . . 4.190 3.132 2.620 4.106 . 0 0 "[ . 1 . 2]" 2
35 1 28 LYS H 1 28 LYS HB2 . . 4.190 2.708 2.200 3.722 . 0 0 "[ . 1 . 2]" 2
36 1 28 LYS H 1 28 LYS QG . . 4.350 3.721 2.278 4.385 0.035 4 0 "[ . 1 . 2]" 2
37 1 47 PHE H 1 69 CYS HA . . 4.850 4.554 4.365 4.766 . 0 0 "[ . 1 . 2]" 2
38 1 47 PHE H 1 67 PHE HA . . 4.880 3.833 3.389 4.362 . 0 0 "[ . 1 . 2]" 2
39 1 17 CYS H 1 24 PHE H . . 4.930 4.821 4.491 4.936 0.006 4 0 "[ . 1 . 2]" 2
40 1 61 ALA H 1 62 GLN QG . . 4.610 4.033 3.595 4.590 . 0 0 "[ . 1 . 2]" 2
41 1 60 GLU HB2 1 61 ALA H . . 4.150 3.301 2.234 4.116 . 0 0 "[ . 1 . 2]" 2
42 1 60 GLU H 1 61 ALA H . . 3.580 2.319 1.853 2.724 . 0 0 "[ . 1 . 2]" 2
43 1 60 GLU QG 1 61 ALA H . . 4.190 3.231 1.930 4.091 . 0 0 "[ . 1 . 2]" 2
44 1 61 ALA H 1 61 ALA MB . . 2.830 2.182 2.029 2.396 . 0 0 "[ . 1 . 2]" 2
45 1 17 CYS H 1 21 SER H . . 5.290 4.428 4.077 4.672 . 0 0 "[ . 1 . 2]" 2
46 1 17 CYS H 1 21 SER HA . . 3.940 3.402 2.995 3.895 . 0 0 "[ . 1 . 2]" 2
47 1 17 CYS H 1 23 THR HA . . 4.240 3.626 3.298 3.903 . 0 0 "[ . 1 . 2]" 2
48 1 17 CYS H 1 17 CYS HB2 . . 3.030 2.462 2.291 2.631 . 0 0 "[ . 1 . 2]" 2
49 1 17 CYS H 1 24 PHE QD . . 5.280 4.358 3.947 4.773 . 0 0 "[ . 1 . 2]" 2
50 1 17 CYS H 1 24 PHE QE . . 4.410 3.193 2.289 3.698 . 0 0 "[ . 1 . 2]" 2
51 1 17 CYS H 1 24 PHE HZ . . 4.430 3.287 2.532 3.743 . 0 0 "[ . 1 . 2]" 2
52 1 17 CYS H 1 17 CYS HB3 . . 2.990 2.619 2.442 2.816 . 0 0 "[ . 1 . 2]" 2
53 1 16 ASN QB 1 17 CYS H . . 3.210 2.472 2.264 2.757 . 0 0 "[ . 1 . 2]" 2
54 1 17 CYS H 1 22 ALA MB . . 4.070 3.883 3.511 4.074 0.004 15 0 "[ . 1 . 2]" 2
55 1 28 LYS H 1 29 LYS H . . 4.630 4.181 2.791 4.588 . 0 0 "[ . 1 . 2]" 2
56 1 28 LYS HA 1 29 LYS H . . 3.060 2.249 2.142 2.694 . 0 0 "[ . 1 . 2]" 2
57 1 29 LYS H 1 29 LYS HB2 . . 3.800 2.999 2.249 3.760 . 0 0 "[ . 1 . 2]" 2
58 1 29 LYS H 1 29 LYS HB3 . . 3.800 3.320 2.586 3.808 0.008 13 0 "[ . 1 . 2]" 2
59 1 29 LYS H 1 29 LYS QD . . 3.900 3.252 1.825 3.914 0.014 20 0 "[ . 1 . 2]" 2
60 1 78 LYS H 1 79 SER H . . 4.850 3.960 2.258 4.633 . 0 0 "[ . 1 . 2]" 2
61 1 75 THR HA 1 78 LYS H . . 4.740 4.090 3.565 4.712 . 0 0 "[ . 1 . 2]" 2
62 1 77 SER QB 1 78 LYS H . . 4.020 3.178 2.092 4.032 0.012 10 0 "[ . 1 . 2]" 2
63 1 78 LYS H 1 78 LYS HB3 . . 4.000 2.835 2.378 3.621 . 0 0 "[ . 1 . 2]" 2
64 1 78 LYS H 1 78 LYS HB2 . . 4.000 2.938 2.218 3.865 . 0 0 "[ . 1 . 2]" 2
65 1 64 GLU H 1 64 GLU HB2 . . 3.760 2.573 2.184 3.002 . 0 0 "[ . 1 . 2]" 2
66 1 64 GLU H 1 64 GLU HB3 . . 3.760 2.808 2.441 3.508 . 0 0 "[ . 1 . 2]" 2
67 1 63 ARG HA 1 64 GLU H . . 3.510 2.910 2.577 3.496 . 0 0 "[ . 1 . 2]" 2
68 1 64 GLU H 1 64 GLU HG3 . . 4.790 4.536 4.228 4.801 0.011 5 0 "[ . 1 . 2]" 2
69 1 64 GLU H 1 64 GLU HG2 . . 4.790 4.668 4.327 4.860 0.070 12 0 "[ . 1 . 2]" 2
70 1 51 LYS QD 1 64 GLU H . . 5.240 4.541 3.993 5.062 . 0 0 "[ . 1 . 2]" 2
71 1 63 ARG QG 1 64 GLU H . . 5.500 4.411 3.751 4.737 . 0 0 "[ . 1 . 2]" 2
72 1 41 CYS H 1 44 CYS H . . 4.230 3.519 3.389 3.641 . 0 0 "[ . 1 . 2]" 2
73 1 40 PHE QD 1 44 CYS H . . 5.500 5.259 4.998 5.484 . 0 0 "[ . 1 . 2]" 2
74 1 44 CYS H 1 47 PHE QE . . 5.500 5.443 5.272 5.504 0.004 11 0 "[ . 1 . 2]" 2
75 1 40 PHE HB3 1 44 CYS H . . 4.460 3.978 3.894 4.045 . 0 0 "[ . 1 . 2]" 2
76 1 42 SER HA 1 44 CYS H . . 4.910 4.237 4.101 4.332 . 0 0 "[ . 1 . 2]" 2
77 1 44 CYS H 1 44 CYS HB3 . . 3.810 3.605 3.578 3.651 . 0 0 "[ . 1 . 2]" 2
78 1 44 CYS H 1 44 CYS HB2 . . 3.020 2.361 2.316 2.442 . 0 0 "[ . 1 . 2]" 2
79 1 41 CYS HB3 1 44 CYS H . . 4.770 4.527 4.494 4.555 . 0 0 "[ . 1 . 2]" 2
80 1 43 ARG HB3 1 44 CYS H . . 3.940 3.440 2.861 3.945 0.005 17 0 "[ . 1 . 2]" 2
81 1 40 PHE HB2 1 44 CYS H . . 5.500 5.303 5.141 5.465 . 0 0 "[ . 1 . 2]" 2
82 1 8 ARG QB 1 9 TYR H . . 4.650 2.863 2.103 3.953 . 0 0 "[ . 1 . 2]" 2
83 1 8 ARG QD 1 9 TYR H . . 5.240 4.359 2.877 5.238 . 0 0 "[ . 1 . 2]" 2
84 1 29 LYS HA 1 30 ARG H . . 2.790 2.157 2.141 2.265 . 0 0 "[ . 1 . 2]" 2
85 1 24 PHE HB3 1 30 ARG H . . 4.790 3.180 2.180 3.865 . 0 0 "[ . 1 . 2]" 2
86 1 30 ARG H 1 31 ARG H . . 4.490 4.302 4.124 4.469 . 0 0 "[ . 1 . 2]" 2
87 1 29 LYS HG2 1 30 ARG H . . 5.500 4.652 4.041 5.305 . 0 0 "[ . 1 . 2]" 2
88 1 29 LYS HG3 1 30 ARG H . . 5.500 4.821 4.229 5.513 0.013 14 0 "[ . 1 . 2]" 2
89 1 30 ARG H 1 30 ARG HB3 . . 3.450 2.799 2.356 3.040 . 0 0 "[ . 1 . 2]" 2
90 1 30 ARG H 1 30 ARG HB2 . . 3.450 2.316 2.167 2.870 . 0 0 "[ . 1 . 2]" 2
91 1 75 THR H 1 76 LEU H . . 2.990 2.646 2.571 2.700 . 0 0 "[ . 1 . 2]" 2
92 1 75 THR HB 1 76 LEU H . . 3.070 2.520 2.401 2.681 . 0 0 "[ . 1 . 2]" 2
93 1 73 ASN HA 1 76 LEU H . . 3.960 3.695 3.555 3.923 . 0 0 "[ . 1 . 2]" 2
94 1 74 GLN QB 1 76 LEU H . . 4.780 4.737 4.633 4.790 0.010 17 0 "[ . 1 . 2]" 2
95 1 76 LEU H 1 76 LEU HG . . 2.760 2.155 2.038 2.242 . 0 0 "[ . 1 . 2]" 2
96 1 76 LEU H 1 76 LEU HB2 . . 3.360 2.533 2.485 2.606 . 0 0 "[ . 1 . 2]" 2
97 1 75 THR MG 1 76 LEU H . . 3.850 3.409 3.001 3.546 . 0 0 "[ . 1 . 2]" 2
98 1 76 LEU H 1 76 LEU MD2 . . 3.550 3.335 3.152 3.543 . 0 0 "[ . 1 . 2]" 2
99 1 44 CYS HB3 1 45 CYS H . . 3.990 3.635 3.530 3.801 . 0 0 "[ . 1 . 2]" 2
100 1 41 CYS H 1 45 CYS H . . 4.800 3.949 3.737 4.103 . 0 0 "[ . 1 . 2]" 2
101 1 43 ARG H 1 45 CYS H . . 3.880 3.396 3.204 3.572 . 0 0 "[ . 1 . 2]" 2
102 1 40 PHE QD 1 45 CYS H . . 5.500 4.878 4.635 4.997 . 0 0 "[ . 1 . 2]" 2
103 1 45 CYS H 1 47 PHE QD . . 5.500 4.983 4.843 5.115 . 0 0 "[ . 1 . 2]" 2
104 1 45 CYS H 1 69 CYS HA . . 4.700 4.245 4.054 4.579 . 0 0 "[ . 1 . 2]" 2
105 1 45 CYS H 1 46 SER HA . . 5.120 4.989 4.847 5.093 . 0 0 "[ . 1 . 2]" 2
106 1 43 ARG HA 1 45 CYS H . . 4.640 4.602 4.463 4.656 0.016 11 0 "[ . 1 . 2]" 2
107 1 40 PHE HB3 1 45 CYS H . . 3.420 3.166 2.966 3.277 . 0 0 "[ . 1 . 2]" 2
108 1 44 CYS HB2 1 45 CYS H . . 3.610 2.791 2.731 2.890 . 0 0 "[ . 1 . 2]" 2
109 1 45 CYS H 1 45 CYS HB3 . . 3.220 2.561 2.500 2.682 . 0 0 "[ . 1 . 2]" 2
110 1 40 PHE HB2 1 45 CYS H . . 4.060 3.897 3.716 4.070 0.010 12 0 "[ . 1 . 2]" 2
111 1 45 CYS H 1 45 CYS HB2 . . 3.330 2.711 2.610 2.779 . 0 0 "[ . 1 . 2]" 2
112 1 31 ARG QB 1 45 CYS H . . 4.650 4.343 4.132 4.551 . 0 0 "[ . 1 . 2]" 2
113 1 45 CYS H 1 45 CYS HG . . 5.100 4.826 4.799 4.851 . 0 0 "[ . 1 . 2]" 2
114 1 14 PHE HB3 1 15 GLY H . . 4.710 3.379 2.126 4.549 . 0 0 "[ . 1 . 2]" 2
115 1 20 CYS H 1 21 SER HA . . 4.580 4.278 4.078 4.502 . 0 0 "[ . 1 . 2]" 2
116 1 33 CYS HA 1 35 ASN H . . 4.280 4.204 4.092 4.264 . 0 0 "[ . 1 . 2]" 2
117 1 34 SER HB3 1 35 ASN H . . 4.200 3.248 2.828 3.720 . 0 0 "[ . 1 . 2]" 2
118 1 35 ASN H 1 35 ASN HB2 . . 3.200 2.820 2.733 2.890 . 0 0 "[ . 1 . 2]" 2
119 1 35 ASN H 1 35 ASN HB3 . . 3.220 2.404 2.338 2.471 . 0 0 "[ . 1 . 2]" 2
120 1 35 ASN H 1 68 VAL MG1 . . 3.210 2.302 2.166 2.474 . 0 0 "[ . 1 . 2]" 2
121 1 34 SER H 1 35 ASN H . . 3.410 2.087 2.036 2.138 . 0 0 "[ . 1 . 2]" 2
122 1 35 ASN H 1 68 VAL HA . . 4.320 3.521 3.370 3.697 . 0 0 "[ . 1 . 2]" 2
123 1 34 SER HB2 1 35 ASN H . . 4.200 3.402 2.945 3.974 . 0 0 "[ . 1 . 2]" 2
124 1 35 ASN H 1 72 CYS HB2 . . 5.500 5.032 4.931 5.127 . 0 0 "[ . 1 . 2]" 2
125 1 35 ASN H 1 49 VAL MG2 . . 4.990 4.971 4.834 5.012 0.022 11 0 "[ . 1 . 2]" 2
126 1 19 GLY H 1 20 CYS H . . 3.050 2.148 1.869 2.496 . 0 0 "[ . 1 . 2]" 2
127 1 20 CYS H 1 21 SER H . . 2.800 2.152 1.903 2.557 . 0 0 "[ . 1 . 2]" 2
128 1 20 CYS H 1 40 PHE HE1 . . 5.500 5.244 4.949 5.432 . 0 0 "[ . 1 . 2]" 2
129 1 19 GLY QA 1 20 CYS H . . 3.060 2.616 2.479 2.788 . 0 0 "[ . 1 . 2]" 2
130 1 17 CYS HB3 1 20 CYS H . . 3.280 2.756 2.324 2.999 . 0 0 "[ . 1 . 2]" 2
131 1 20 CYS H 1 20 CYS HB3 . . 4.190 3.009 2.846 3.120 . 0 0 "[ . 1 . 2]" 2
132 1 20 CYS H 1 22 ALA MB . . 4.560 4.367 4.121 4.516 . 0 0 "[ . 1 . 2]" 2
133 1 20 CYS H 1 41 CYS H . . 5.500 5.020 4.838 5.342 . 0 0 "[ . 1 . 2]" 2
134 1 40 PHE QD 1 41 CYS H . . 4.070 3.465 3.292 3.596 . 0 0 "[ . 1 . 2]" 2
135 1 24 PHE QE 1 41 CYS H . . 3.970 3.395 2.776 3.979 0.009 11 0 "[ . 1 . 2]" 2
136 1 24 PHE HZ 1 41 CYS H . . 4.440 4.081 3.750 4.361 . 0 0 "[ . 1 . 2]" 2
137 1 40 PHE HA 1 41 CYS H . . 3.030 2.410 2.359 2.456 . 0 0 "[ . 1 . 2]" 2
138 1 17 CYS HA 1 41 CYS H . . 4.050 4.025 3.876 4.079 0.029 4 0 "[ . 1 . 2]" 2
139 1 40 PHE HB3 1 41 CYS H . . 3.190 2.417 2.312 2.536 . 0 0 "[ . 1 . 2]" 2
140 1 41 CYS H 1 44 CYS HB3 . . 4.370 4.166 4.000 4.262 . 0 0 "[ . 1 . 2]" 2
141 1 41 CYS H 1 44 CYS HB2 . . 3.430 2.574 2.422 2.639 . 0 0 "[ . 1 . 2]" 2
142 1 41 CYS H 1 41 CYS HB3 . . 3.410 2.718 2.660 2.783 . 0 0 "[ . 1 . 2]" 2
143 1 17 CYS HB2 1 41 CYS H . . 3.360 3.107 2.764 3.374 0.014 19 0 "[ . 1 . 2]" 2
144 1 41 CYS H 1 45 CYS HB2 . . 4.770 4.544 4.292 4.712 . 0 0 "[ . 1 . 2]" 2
145 1 45 CYS HA 1 70 ALA H . . 4.350 3.853 3.466 4.324 . 0 0 "[ . 1 . 2]" 2
146 1 47 PHE HB2 1 70 ALA H . . 4.860 4.603 4.306 4.818 . 0 0 "[ . 1 . 2]" 2
147 1 47 PHE QD 1 70 ALA H . . 3.550 2.996 2.686 3.489 . 0 0 "[ . 1 . 2]" 2
148 1 46 SER H 1 70 ALA H . . 4.970 4.461 4.174 4.750 . 0 0 "[ . 1 . 2]" 2
149 1 69 CYS HA 1 70 ALA H . . 3.170 2.238 2.208 2.296 . 0 0 "[ . 1 . 2]" 2
150 1 69 CYS HB2 1 70 ALA H . . 3.080 2.911 2.730 3.016 . 0 0 "[ . 1 . 2]" 2
151 1 70 ALA H 1 70 ALA MB . . 2.710 2.163 2.071 2.268 . 0 0 "[ . 1 . 2]" 2
152 1 49 VAL H 1 67 PHE HA . . 3.940 3.691 3.458 3.873 . 0 0 "[ . 1 . 2]" 2
153 1 49 VAL H 1 50 PRO HD2 . . 5.020 4.814 4.799 4.822 . 0 0 "[ . 1 . 2]" 2
154 1 49 VAL H 1 49 VAL HB . . 4.160 3.903 3.852 3.986 . 0 0 "[ . 1 . 2]" 2
155 1 48 LYS HB2 1 49 VAL H . . 4.390 4.307 3.921 4.406 0.016 4 0 "[ . 1 . 2]" 2
156 1 48 LYS HB3 1 49 VAL H . . 3.810 3.336 2.655 3.546 . 0 0 "[ . 1 . 2]" 2
157 1 49 VAL H 1 49 VAL MG1 . . 3.320 3.027 2.876 3.219 . 0 0 "[ . 1 . 2]" 2
158 1 49 VAL H 1 49 VAL MG2 . . 3.010 2.323 2.078 2.529 . 0 0 "[ . 1 . 2]" 2
159 1 48 LYS HG2 1 49 VAL H . . 4.550 4.149 3.785 4.369 . 0 0 "[ . 1 . 2]" 2
160 1 68 VAL HA 1 69 CYS H . . 3.190 2.533 2.429 2.603 . 0 0 "[ . 1 . 2]" 2
161 1 69 CYS H 1 72 CYS HB2 . . 3.650 2.691 2.582 2.881 . 0 0 "[ . 1 . 2]" 2
162 1 68 VAL HB 1 69 CYS H . . 3.170 2.136 1.994 2.333 . 0 0 "[ . 1 . 2]" 2
163 1 69 CYS H 1 69 CYS HB3 . . 3.530 2.673 2.595 2.753 . 0 0 "[ . 1 . 2]" 2
164 1 68 VAL MG1 1 69 CYS H . . 3.930 3.611 3.515 3.689 . 0 0 "[ . 1 . 2]" 2
165 1 14 PHE H 1 14 PHE QD . . 5.070 2.797 1.928 3.361 . 0 0 "[ . 1 . 2]" 2
166 1 33 CYS H 1 38 ASN H . . 4.070 3.032 2.922 3.153 . 0 0 "[ . 1 . 2]" 2
167 1 37 GLY H 1 38 ASN H . . 3.210 2.488 2.353 2.574 . 0 0 "[ . 1 . 2]" 2
168 1 38 ASN H 1 40 PHE HE2 . . 3.730 2.825 2.609 3.211 . 0 0 "[ . 1 . 2]" 2
169 1 33 CYS HB3 1 38 ASN H . . 3.420 1.887 1.874 1.896 . 0 0 "[ . 1 . 2]" 2
170 1 38 ASN H 1 38 ASN HB3 . . 3.790 3.727 3.701 3.762 . 0 0 "[ . 1 . 2]" 2
171 1 33 CYS HB2 1 38 ASN H . . 3.920 2.794 2.706 2.904 . 0 0 "[ . 1 . 2]" 2
172 1 36 CYS HB3 1 38 ASN H . . 4.700 4.659 4.629 4.693 . 0 0 "[ . 1 . 2]" 2
173 1 38 ASN H 1 38 ASN HB2 . . 3.370 2.660 2.568 2.796 . 0 0 "[ . 1 . 2]" 2
174 1 63 ARG H 1 63 ARG QG . . 4.090 3.177 1.906 4.141 0.051 14 0 "[ . 1 . 2]" 2
175 1 26 VAL QG 1 27 LEU H . . 4.370 2.398 1.772 3.489 . 0 0 "[ . 1 . 2]" 2
176 1 26 VAL HB 1 27 LEU H . . 4.570 3.713 2.016 4.598 0.028 20 0 "[ . 1 . 2]" 2
177 1 27 LEU H 1 27 LEU HG . . 4.150 3.327 1.949 4.180 0.030 6 0 "[ . 1 . 2]" 2
178 1 35 ASN H 1 36 CYS H . . 2.840 2.833 2.783 2.859 0.019 8 0 "[ . 1 . 2]" 2
179 1 36 CYS H 1 38 ASN H . . 4.470 4.455 4.397 4.485 0.015 7 0 "[ . 1 . 2]" 2
180 1 36 CYS H 1 37 GLY H . . 2.930 2.591 2.553 2.628 . 0 0 "[ . 1 . 2]" 2
181 1 35 ASN HD22 1 36 CYS H . . 4.300 4.024 3.979 4.066 . 0 0 "[ . 1 . 2]" 2
182 1 32 SER H 1 32 SER QB . . 3.020 2.670 2.401 3.041 0.021 12 0 "[ . 1 . 2]" 2
183 1 36 CYS H 1 36 CYS HB2 . . 3.740 3.587 3.584 3.593 . 0 0 "[ . 1 . 2]" 2
184 1 36 CYS H 1 72 CYS HB2 . . 5.370 4.505 4.386 4.624 . 0 0 "[ . 1 . 2]" 2
185 1 36 CYS H 1 36 CYS HB3 . . 3.450 2.434 2.408 2.481 . 0 0 "[ . 1 . 2]" 2
186 1 36 CYS H 1 72 CYS HB3 . . 4.590 4.242 4.122 4.381 . 0 0 "[ . 1 . 2]" 2
187 1 35 ASN HB3 1 36 CYS H . . 3.350 1.996 1.921 2.066 . 0 0 "[ . 1 . 2]" 2
188 1 36 CYS H 1 68 VAL MG1 . . 4.450 4.173 3.844 4.435 . 0 0 "[ . 1 . 2]" 2
189 1 32 SER H 1 33 CYS HA . . 5.220 4.925 4.718 5.120 . 0 0 "[ . 1 . 2]" 2
190 1 36 CYS H 1 37 GLY HA3 . . 5.260 5.142 5.128 5.159 . 0 0 "[ . 1 . 2]" 2
191 1 36 CYS H 1 37 GLY HA2 . . 4.860 4.859 4.836 4.881 0.021 13 0 "[ . 1 . 2]" 2
192 1 27 LEU H 1 27 LEU MD1 . . 5.500 3.312 1.803 4.459 . 0 0 "[ . 1 . 2]" 2
193 1 27 LEU H 1 27 LEU MD2 . . 5.500 3.697 2.332 4.456 . 0 0 "[ . 1 . 2]" 2
194 1 31 ARG HA 1 32 SER H . . 2.630 2.412 2.236 2.639 0.009 4 0 "[ . 1 . 2]" 2
195 1 31 ARG QB 1 32 SER H . . 3.270 2.559 1.945 3.084 . 0 0 "[ . 1 . 2]" 2
196 1 31 ARG HG2 1 32 SER H . . 4.400 3.248 1.883 3.791 . 0 0 "[ . 1 . 2]" 2
197 1 31 ARG HG3 1 32 SER H . . 4.400 4.090 3.229 4.389 . 0 0 "[ . 1 . 2]" 2
198 1 67 PHE H 1 68 VAL H . . 4.530 4.428 4.282 4.544 0.014 10 0 "[ . 1 . 2]" 2
199 1 67 PHE H 1 67 PHE QD . . 3.770 3.014 2.243 3.555 . 0 0 "[ . 1 . 2]" 2
200 1 66 VAL HA 1 67 PHE H . . 2.800 2.390 2.276 2.471 . 0 0 "[ . 1 . 2]" 2
201 1 67 PHE H 1 67 PHE HB3 . . 3.770 3.619 3.521 3.686 . 0 0 "[ . 1 . 2]" 2
202 1 67 PHE H 1 67 PHE HB2 . . 3.120 2.388 2.272 2.489 . 0 0 "[ . 1 . 2]" 2
203 1 66 VAL HB 1 67 PHE H . . 3.010 2.423 2.229 2.708 . 0 0 "[ . 1 . 2]" 2
204 1 66 VAL MG1 1 67 PHE H . . 3.810 3.687 3.585 3.796 . 0 0 "[ . 1 . 2]" 2
205 1 66 VAL MG2 1 67 PHE H . . 3.750 3.460 3.285 3.754 0.004 20 0 "[ . 1 . 2]" 2
206 1 71 SER H 1 73 ASN H . . 4.840 4.703 4.570 4.837 . 0 0 "[ . 1 . 2]" 2
207 1 47 PHE QD 1 73 ASN H . . 5.350 5.008 4.674 5.347 . 0 0 "[ . 1 . 2]" 2
208 1 73 ASN H 1 73 ASN HD21 . . 4.600 4.607 4.577 4.647 0.047 11 0 "[ . 1 . 2]" 2
209 1 71 SER HA 1 73 ASN H . . 5.500 5.320 5.181 5.428 . 0 0 "[ . 1 . 2]" 2
210 1 73 ASN H 1 75 THR HB . . 5.500 5.473 5.422 5.506 0.006 17 0 "[ . 1 . 2]" 2
211 1 70 ALA HA 1 73 ASN H . . 3.850 3.682 3.489 3.855 0.005 13 0 "[ . 1 . 2]" 2
212 1 47 PHE HB3 1 73 ASN H . . 5.230 4.929 4.742 5.138 . 0 0 "[ . 1 . 2]" 2
213 1 73 ASN H 1 73 ASN HB3 . . 3.650 2.616 2.550 2.669 . 0 0 "[ . 1 . 2]" 2
214 1 73 ASN H 1 76 LEU HB2 . . 5.500 4.972 4.713 5.171 . 0 0 "[ . 1 . 2]" 2
215 1 68 VAL MG2 1 73 ASN H . . 3.330 2.257 1.881 2.691 . 0 0 "[ . 1 . 2]" 2
216 1 72 CYS HB2 1 73 ASN H . . 3.470 2.231 2.152 2.325 . 0 0 "[ . 1 . 2]" 2
217 1 72 CYS HB3 1 73 ASN H . . 3.800 3.152 3.008 3.295 . 0 0 "[ . 1 . 2]" 2
218 1 60 GLU H 1 60 GLU QG . . 3.970 2.920 1.967 3.980 0.010 8 0 "[ . 1 . 2]" 2
219 1 58 ALA MB 1 60 GLU H . . 3.860 2.193 2.082 2.434 . 0 0 "[ . 1 . 2]" 2
220 1 59 PRO HA 1 60 GLU H . . 3.540 3.353 3.291 3.475 . 0 0 "[ . 1 . 2]" 2
221 1 73 ASN HD21 1 74 GLN H . . 4.300 3.255 3.134 3.438 . 0 0 "[ . 1 . 2]" 2
222 1 73 ASN H 1 74 GLN H . . 3.220 2.979 2.928 3.010 . 0 0 "[ . 1 . 2]" 2
223 1 74 GLN H 1 76 LEU H . . 4.290 4.143 3.984 4.265 . 0 0 "[ . 1 . 2]" 2
224 1 71 SER HA 1 74 GLN H . . 4.290 4.258 4.171 4.305 0.015 15 0 "[ . 1 . 2]" 2
225 1 70 ALA HA 1 74 GLN H . . 4.320 3.685 3.548 3.825 . 0 0 "[ . 1 . 2]" 2
226 1 74 GLN H 1 74 GLN HG2 . . 4.040 3.316 2.384 4.035 . 0 0 "[ . 1 . 2]" 2
227 1 74 GLN H 1 74 GLN QB . . 2.600 2.264 2.163 2.367 . 0 0 "[ . 1 . 2]" 2
228 1 70 ALA MB 1 74 GLN H . . 4.590 4.442 4.318 4.568 . 0 0 "[ . 1 . 2]" 2
229 1 68 VAL MG2 1 74 GLN H . . 4.830 4.526 4.343 4.821 . 0 0 "[ . 1 . 2]" 2
230 1 48 LYS HB3 1 66 VAL H . . 4.800 4.551 3.871 4.808 0.008 10 0 "[ . 1 . 2]" 2
231 1 49 VAL H 1 66 VAL H . . 3.480 2.744 2.430 3.106 . 0 0 "[ . 1 . 2]" 2
232 1 66 VAL H 1 67 PHE H . . 4.670 4.473 4.384 4.526 . 0 0 "[ . 1 . 2]" 2
233 1 65 THR HB 1 66 VAL H . . 3.620 3.174 2.546 3.532 . 0 0 "[ . 1 . 2]" 2
234 1 66 VAL H 1 66 VAL HB . . 3.980 3.803 3.731 3.946 . 0 0 "[ . 1 . 2]" 2
235 1 66 VAL H 1 66 VAL MG1 . . 3.390 2.913 2.532 3.201 . 0 0 "[ . 1 . 2]" 2
236 1 66 VAL H 1 66 VAL MG2 . . 3.060 2.181 1.886 2.486 . 0 0 "[ . 1 . 2]" 2
237 1 62 GLN H 1 62 GLN HB3 . . 3.760 3.679 3.212 3.830 0.070 16 0 "[ . 1 . 2]" 2
238 1 62 GLN H 1 62 GLN HB2 . . 3.760 2.722 2.369 3.771 0.011 20 0 "[ . 1 . 2]" 2
239 1 61 ALA MB 1 62 GLN H . . 3.750 3.460 2.741 3.717 . 0 0 "[ . 1 . 2]" 2
240 1 61 ALA HA 1 62 GLN H . . 3.560 2.410 2.142 3.522 . 0 0 "[ . 1 . 2]" 2
241 1 62 GLN H 1 62 GLN QG . . 3.580 2.927 1.954 3.558 . 0 0 "[ . 1 . 2]" 2
242 1 67 PHE HA 1 68 VAL H . . 3.080 2.152 2.139 2.180 . 0 0 "[ . 1 . 2]" 2
243 1 47 PHE HB2 1 68 VAL H . . 4.050 3.207 2.783 3.687 . 0 0 "[ . 1 . 2]" 2
244 1 68 VAL H 1 68 VAL MG2 . . 3.390 2.159 1.977 2.338 . 0 0 "[ . 1 . 2]" 2
245 1 49 VAL MG2 1 68 VAL H . . 4.760 3.468 3.199 3.762 . 0 0 "[ . 1 . 2]" 2
246 1 67 PHE QD 1 68 VAL H . . 4.540 3.786 3.020 4.428 . 0 0 "[ . 1 . 2]" 2
247 1 16 ASN H 1 17 CYS H . . 4.480 4.438 4.409 4.479 . 0 0 "[ . 1 . 2]" 2
248 1 15 GLY H 1 16 ASN H . . 4.000 2.622 1.985 3.167 . 0 0 "[ . 1 . 2]" 2
249 1 16 ASN H 1 16 ASN HD21 . . 4.120 3.656 3.526 3.842 . 0 0 "[ . 1 . 2]" 2
250 1 16 ASN H 1 24 PHE QE . . 4.190 3.686 3.268 4.197 0.007 19 0 "[ . 1 . 2]" 2
251 1 16 ASN H 1 16 ASN QB . . 3.240 2.912 2.800 2.994 . 0 0 "[ . 1 . 2]" 2
252 1 22 ALA HA 1 23 THR H . . 2.520 2.169 2.140 2.190 . 0 0 "[ . 1 . 2]" 2
253 1 23 THR H 1 23 THR HB . . 3.000 2.789 2.639 2.959 . 0 0 "[ . 1 . 2]" 2
254 1 22 ALA MB 1 23 THR H . . 3.450 3.425 3.242 3.489 0.039 4 0 "[ . 1 . 2]" 2
255 1 35 ASN HD21 1 72 CYS HA . . 4.350 3.707 3.477 3.849 . 0 0 "[ . 1 . 2]" 2
256 1 35 ASN HB2 1 35 ASN HD21 . . 3.350 3.096 2.975 3.205 . 0 0 "[ . 1 . 2]" 2
257 1 35 ASN HD21 1 72 CYS HB3 . . 3.900 2.254 1.966 2.433 . 0 0 "[ . 1 . 2]" 2
258 1 35 ASN HD21 1 76 LEU MD2 . . 4.110 3.458 2.891 3.934 . 0 0 "[ . 1 . 2]" 2
259 1 35 ASN HB2 1 35 ASN HD22 . . 3.920 3.863 3.804 3.918 . 0 0 "[ . 1 . 2]" 2
260 1 35 ASN HD22 1 72 CYS HB3 . . 4.040 3.698 3.539 3.743 . 0 0 "[ . 1 . 2]" 2
261 1 35 ASN HB3 1 35 ASN HD22 . . 3.890 3.446 3.437 3.467 . 0 0 "[ . 1 . 2]" 2
262 1 35 ASN HD22 1 76 LEU MD2 . . 3.960 3.102 2.523 3.484 . 0 0 "[ . 1 . 2]" 2
263 1 35 ASN HD21 1 76 LEU HG . . 4.860 3.881 3.348 4.294 . 0 0 "[ . 1 . 2]" 2
264 1 35 ASN HD22 1 36 CYS HB3 . . 4.650 4.106 4.065 4.162 . 0 0 "[ . 1 . 2]" 2
265 1 38 ASN H 1 38 ASN HD21 . . 4.220 4.117 4.031 4.208 . 0 0 "[ . 1 . 2]" 2
266 1 38 ASN HB3 1 38 ASN HD21 . . 3.320 2.832 2.760 2.881 . 0 0 "[ . 1 . 2]" 2
267 1 38 ASN H 1 38 ASN HD22 . . 4.560 4.444 4.323 4.554 . 0 0 "[ . 1 . 2]" 2
268 1 36 CYS HB3 1 38 ASN HD22 . . 4.440 3.693 3.526 3.886 . 0 0 "[ . 1 . 2]" 2
269 1 18 THR HA 1 21 SER H . . 4.760 4.257 4.060 4.416 . 0 0 "[ . 1 . 2]" 2
270 1 19 GLY H 1 21 SER H . . 4.000 2.662 2.452 2.952 . 0 0 "[ . 1 . 2]" 2
271 1 21 SER H 1 22 ALA H . . 3.360 2.833 2.480 3.151 . 0 0 "[ . 1 . 2]" 2
272 1 19 GLY QA 1 21 SER H . . 4.230 3.829 3.671 4.000 . 0 0 "[ . 1 . 2]" 2
273 1 21 SER H 1 21 SER HA . . 2.580 2.287 2.275 2.317 . 0 0 "[ . 1 . 2]" 2
274 1 21 SER H 1 21 SER HB2 . . 4.160 3.367 2.958 3.942 . 0 0 "[ . 1 . 2]" 2
275 1 17 CYS HB3 1 21 SER H . . 3.280 2.557 1.953 2.682 . 0 0 "[ . 1 . 2]" 2
276 1 16 ASN QB 1 21 SER H . . 4.920 4.538 4.368 4.764 . 0 0 "[ . 1 . 2]" 2
277 1 21 SER H 1 22 ALA MB . . 4.610 4.363 4.066 4.560 . 0 0 "[ . 1 . 2]" 2
278 1 36 CYS HB3 1 38 ASN HD21 . . 4.360 4.270 4.157 4.362 0.002 12 0 "[ . 1 . 2]" 2
279 1 38 ASN HB2 1 38 ASN HD22 . . 4.010 3.502 3.488 3.524 . 0 0 "[ . 1 . 2]" 2
280 1 38 ASN HB3 1 38 ASN HD22 . . 3.790 3.738 3.705 3.761 . 0 0 "[ . 1 . 2]" 2
281 1 18 THR MG 1 38 ASN HD22 . . 4.560 4.337 4.080 4.523 . 0 0 "[ . 1 . 2]" 2
282 1 69 CYS HA 1 71 SER H . . 4.700 4.475 4.289 4.667 . 0 0 "[ . 1 . 2]" 2
283 1 71 SER H 1 72 CYS H . . 2.960 2.924 2.850 2.967 0.007 1 0 "[ . 1 . 2]" 2
284 1 71 SER H 1 71 SER QB . . 2.740 2.298 2.159 2.597 . 0 0 "[ . 1 . 2]" 2
285 1 71 SER H 1 72 CYS HB2 . . 5.290 5.106 4.997 5.170 . 0 0 "[ . 1 . 2]" 2
286 1 69 CYS HB2 1 71 SER H . . 3.910 3.401 3.205 3.614 . 0 0 "[ . 1 . 2]" 2
287 1 71 SER H 1 74 GLN QB . . 5.390 5.080 4.918 5.197 . 0 0 "[ . 1 . 2]" 2
288 1 70 ALA MB 1 71 SER H . . 3.010 2.336 2.102 2.582 . 0 0 "[ . 1 . 2]" 2
289 1 51 LYS QG 1 52 SER H . . 5.080 2.612 1.820 3.880 . 0 0 "[ . 1 . 2]" 2
290 1 52 SER H 1 61 ALA MB . . 5.480 4.166 3.201 5.444 . 0 0 "[ . 1 . 2]" 2
291 1 33 CYS H 1 40 PHE H . . 4.880 4.577 4.363 4.818 . 0 0 "[ . 1 . 2]" 2
292 1 32 SER H 1 33 CYS H . . 4.460 4.305 4.142 4.459 . 0 0 "[ . 1 . 2]" 2
293 1 33 CYS H 1 34 SER H . . 4.640 4.631 4.615 4.644 0.004 12 0 "[ . 1 . 2]" 2
294 1 33 CYS H 1 40 PHE HE2 . . 4.090 3.846 3.510 4.101 0.011 20 0 "[ . 1 . 2]" 2
295 1 32 SER HA 1 33 CYS H . . 2.720 2.149 2.138 2.182 . 0 0 "[ . 1 . 2]" 2
296 1 33 CYS H 1 39 SER HA . . 3.930 3.831 3.715 3.943 0.013 16 0 "[ . 1 . 2]" 2
297 1 33 CYS H 1 37 GLY HA2 . . 4.780 3.602 3.303 3.928 . 0 0 "[ . 1 . 2]" 2
298 1 32 SER QB 1 33 CYS H . . 3.340 3.228 3.040 3.335 . 0 0 "[ . 1 . 2]" 2
299 1 33 CYS H 1 33 CYS HB2 . . 3.220 2.426 2.377 2.490 . 0 0 "[ . 1 . 2]" 2
300 1 33 CYS H 1 69 CYS HB3 . . 4.900 4.791 4.409 4.916 0.016 11 0 "[ . 1 . 2]" 2
301 1 57 THR HA 1 58 ALA H . . 3.150 2.300 2.142 2.834 . 0 0 "[ . 1 . 2]" 2
302 1 58 ALA H 1 59 PRO HD2 . . 5.360 4.762 4.673 4.835 . 0 0 "[ . 1 . 2]" 2
303 1 58 ALA H 1 58 ALA MB . . 2.950 2.371 2.032 2.855 . 0 0 "[ . 1 . 2]" 2
304 1 57 THR MG 1 58 ALA H . . 4.400 3.757 3.133 4.169 . 0 0 "[ . 1 . 2]" 2
305 1 50 PRO HA 1 65 THR H . . 5.500 5.046 4.729 5.470 . 0 0 "[ . 1 . 2]" 2
306 1 65 THR H 1 66 VAL H . . 4.440 4.343 4.186 4.500 0.060 15 0 "[ . 1 . 2]" 2
307 1 64 GLU H 1 65 THR H . . 4.620 4.546 4.452 4.642 0.022 6 0 "[ . 1 . 2]" 2
308 1 64 GLU HA 1 65 THR H . . 2.640 2.328 2.164 2.529 . 0 0 "[ . 1 . 2]" 2
309 1 65 THR H 1 65 THR HB . . 3.890 3.775 3.624 3.876 . 0 0 "[ . 1 . 2]" 2
310 1 64 GLU HG3 1 65 THR H . . 4.580 2.383 1.893 4.312 . 0 0 "[ . 1 . 2]" 2
311 1 64 GLU HG2 1 65 THR H . . 4.580 3.775 2.955 4.560 . 0 0 "[ . 1 . 2]" 2
312 1 64 GLU HB2 1 65 THR H . . 4.990 4.030 3.820 4.309 . 0 0 "[ . 1 . 2]" 2
313 1 64 GLU HB3 1 65 THR H . . 4.990 3.478 2.773 4.176 . 0 0 "[ . 1 . 2]" 2
314 1 65 THR H 1 65 THR MG . . 3.470 3.046 2.769 3.252 . 0 0 "[ . 1 . 2]" 2
315 1 18 THR H 1 40 PHE QD . . 4.390 2.837 2.650 3.126 . 0 0 "[ . 1 . 2]" 2
316 1 18 THR H 1 40 PHE HB3 . . 5.500 4.538 4.354 4.713 . 0 0 "[ . 1 . 2]" 2
317 1 17 CYS HB2 1 18 THR H . . 4.100 3.949 3.846 4.057 . 0 0 "[ . 1 . 2]" 2
318 1 18 THR H 1 18 THR MG . . 3.890 3.827 3.806 3.854 . 0 0 "[ . 1 . 2]" 2
319 1 18 THR H 1 41 CYS H . . 4.640 4.489 4.377 4.647 0.007 14 0 "[ . 1 . 2]" 2
320 1 18 THR H 1 24 PHE QE . . 5.140 4.976 4.761 5.165 0.025 19 0 "[ . 1 . 2]" 2
321 1 18 THR H 1 24 PHE HZ . . 4.240 4.067 3.791 4.239 . 0 0 "[ . 1 . 2]" 2
322 1 18 THR H 1 40 PHE HA . . 3.450 2.698 2.487 2.867 . 0 0 "[ . 1 . 2]" 2
323 1 18 THR H 1 18 THR HG1 . . 3.800 2.976 1.971 3.781 . 0 0 "[ . 1 . 2]" 2
324 1 17 CYS HA 1 18 THR H . . 2.760 2.302 2.226 2.382 . 0 0 "[ . 1 . 2]" 2
325 1 18 THR H 1 18 THR HB . . 3.030 2.683 2.564 2.820 . 0 0 "[ . 1 . 2]" 2
326 1 73 ASN HD21 1 74 GLN HA . . 4.690 3.185 2.868 3.703 . 0 0 "[ . 1 . 2]" 2
327 1 73 ASN HD22 1 74 GLN HA . . 4.830 4.138 4.031 4.262 . 0 0 "[ . 1 . 2]" 2
328 1 47 PHE QD 1 73 ASN HD21 . . 4.560 3.606 3.064 4.218 . 0 0 "[ . 1 . 2]" 2
329 1 47 PHE QE 1 73 ASN HD21 . . 5.120 3.994 3.180 4.760 . 0 0 "[ . 1 . 2]" 2
330 1 47 PHE HB3 1 73 ASN HD21 . . 5.030 4.153 3.741 4.680 . 0 0 "[ . 1 . 2]" 2
331 1 47 PHE QD 1 73 ASN HD22 . . 4.060 2.978 2.384 3.695 . 0 0 "[ . 1 . 2]" 2
332 1 75 THR H 1 75 THR HB . . 2.940 2.522 2.390 2.582 . 0 0 "[ . 1 . 2]" 2
333 1 72 CYS HA 1 75 THR H . . 3.250 3.170 3.098 3.223 . 0 0 "[ . 1 . 2]" 2
334 1 74 GLN QB 1 75 THR H . . 3.070 2.559 2.467 2.630 . 0 0 "[ . 1 . 2]" 2
335 1 75 THR H 1 76 LEU HG . . 4.340 4.284 4.126 4.342 0.002 18 0 "[ . 1 . 2]" 2
336 1 75 THR H 1 76 LEU HB2 . . 4.840 4.808 4.720 4.845 0.005 11 0 "[ . 1 . 2]" 2
337 1 75 THR H 1 76 LEU MD2 . . 5.500 5.317 5.176 5.505 0.005 5 0 "[ . 1 . 2]" 2
338 1 19 GLY H 1 40 PHE HB3 . . 5.500 5.417 5.232 5.511 0.011 11 0 "[ . 1 . 2]" 2
339 1 18 THR H 1 19 GLY H . . 3.250 2.579 2.254 2.802 . 0 0 "[ . 1 . 2]" 2
340 1 19 GLY H 1 40 PHE HE1 . . 3.920 3.654 3.336 3.918 . 0 0 "[ . 1 . 2]" 2
341 1 19 GLY H 1 40 PHE HA . . 4.460 4.358 4.224 4.468 0.008 17 0 "[ . 1 . 2]" 2
342 1 19 GLY H 1 21 SER HA . . 4.590 4.232 4.015 4.477 . 0 0 "[ . 1 . 2]" 2
343 1 17 CYS HA 1 19 GLY H . . 4.040 3.909 3.796 4.022 . 0 0 "[ . 1 . 2]" 2
344 1 19 GLY H 1 44 CYS HB3 . . 5.500 5.239 4.885 5.463 . 0 0 "[ . 1 . 2]" 2
345 1 17 CYS HB3 1 19 GLY H . . 3.440 3.034 2.856 3.196 . 0 0 "[ . 1 . 2]" 2
346 1 17 CYS HB2 1 19 GLY H . . 4.350 4.162 4.100 4.231 . 0 0 "[ . 1 . 2]" 2
347 1 18 THR MG 1 19 GLY H . . 4.510 4.198 4.000 4.286 . 0 0 "[ . 1 . 2]" 2
348 1 20 CYS HA 1 22 ALA H . . 4.990 4.796 4.257 5.023 0.033 14 0 "[ . 1 . 2]" 2
349 1 21 SER HA 1 22 ALA H . . 3.100 2.765 2.614 2.934 . 0 0 "[ . 1 . 2]" 2
350 1 17 CYS HA 1 22 ALA H . . 4.760 4.560 4.152 4.778 0.018 11 0 "[ . 1 . 2]" 2
351 1 17 CYS HB3 1 22 ALA H . . 2.960 1.902 1.873 1.976 . 0 0 "[ . 1 . 2]" 2
352 1 17 CYS HB2 1 22 ALA H . . 3.390 2.948 2.435 3.267 . 0 0 "[ . 1 . 2]" 2
353 1 22 ALA H 1 22 ALA MB . . 2.680 2.276 2.103 2.425 . 0 0 "[ . 1 . 2]" 2
354 1 76 LEU H 1 77 SER H . . 3.080 2.839 2.711 3.029 . 0 0 "[ . 1 . 2]" 2
355 1 73 ASN HA 1 77 SER H . . 3.850 3.731 3.346 3.855 0.005 12 0 "[ . 1 . 2]" 2
356 1 77 SER H 1 77 SER QB . . 2.880 2.342 2.148 2.786 . 0 0 "[ . 1 . 2]" 2
357 1 76 LEU HB3 1 77 SER H . . 3.500 3.408 3.307 3.505 0.005 19 0 "[ . 1 . 2]" 2
358 1 76 LEU HB2 1 77 SER H . . 3.820 2.302 2.142 2.437 . 0 0 "[ . 1 . 2]" 2
359 1 76 LEU MD2 1 77 SER H . . 4.840 4.618 4.546 4.717 . 0 0 "[ . 1 . 2]" 2
360 1 18 THR HG1 1 39 SER H . . 4.820 3.382 2.786 4.301 . 0 0 "[ . 1 . 2]" 2
361 1 39 SER H 1 40 PHE H . . 4.780 4.567 4.505 4.600 . 0 0 "[ . 1 . 2]" 2
362 1 38 ASN H 1 39 SER H . . 4.760 4.482 4.435 4.514 . 0 0 "[ . 1 . 2]" 2
363 1 39 SER H 1 40 PHE HE2 . . 5.020 4.650 4.542 4.753 . 0 0 "[ . 1 . 2]" 2
364 1 39 SER H 1 39 SER HB3 . . 3.680 3.223 2.558 3.663 . 0 0 "[ . 1 . 2]" 2
365 1 39 SER H 1 39 SER HB2 . . 3.680 3.075 2.357 3.658 . 0 0 "[ . 1 . 2]" 2
366 1 38 ASN HB3 1 39 SER H . . 3.640 2.229 2.024 2.424 . 0 0 "[ . 1 . 2]" 2
367 1 38 ASN HB2 1 39 SER H . . 3.240 3.184 3.033 3.251 0.011 8 0 "[ . 1 . 2]" 2
368 1 18 THR MG 1 39 SER H . . 5.220 4.742 4.300 5.086 . 0 0 "[ . 1 . 2]" 2
369 1 28 LYS QD 1 42 SER H . . 4.840 3.522 1.891 4.844 0.004 2 0 "[ . 1 . 2]" 2
370 1 42 SER H 1 44 CYS H . . 4.880 4.236 4.085 4.363 . 0 0 "[ . 1 . 2]" 2
371 1 24 PHE QE 1 42 SER H . . 4.700 4.488 4.096 4.711 0.011 5 0 "[ . 1 . 2]" 2
372 1 41 CYS HA 1 42 SER H . . 3.150 2.621 2.557 2.652 . 0 0 "[ . 1 . 2]" 2
373 1 41 CYS HB2 1 42 SER H . . 3.150 2.032 1.971 2.141 . 0 0 "[ . 1 . 2]" 2
374 1 41 CYS HB3 1 42 SER H . . 3.690 3.549 3.499 3.621 . 0 0 "[ . 1 . 2]" 2
375 1 38 ASN HD21 1 39 SER H . . 5.100 4.955 4.762 5.107 0.007 12 0 "[ . 1 . 2]" 2
376 1 34 SER H 1 68 VAL HA . . 3.550 2.350 2.173 2.487 . 0 0 "[ . 1 . 2]" 2
377 1 33 CYS HA 1 34 SER H . . 2.730 2.412 2.372 2.420 . 0 0 "[ . 1 . 2]" 2
378 1 34 SER H 1 34 SER HB3 . . 3.740 3.178 2.569 3.612 . 0 0 "[ . 1 . 2]" 2
379 1 34 SER H 1 34 SER HB2 . . 3.740 2.471 2.295 2.823 . 0 0 "[ . 1 . 2]" 2
380 1 33 CYS HB3 1 34 SER H . . 4.380 3.483 3.442 3.574 . 0 0 "[ . 1 . 2]" 2
381 1 33 CYS HB2 1 34 SER H . . 4.070 3.847 3.830 3.891 . 0 0 "[ . 1 . 2]" 2
382 1 34 SER H 1 68 VAL HB . . 4.470 3.858 3.658 4.127 . 0 0 "[ . 1 . 2]" 2
383 1 34 SER H 1 68 VAL MG1 . . 3.450 2.655 2.346 2.817 . 0 0 "[ . 1 . 2]" 2
384 1 34 SER H 1 66 VAL MG2 . . 4.850 4.487 4.158 4.831 . 0 0 "[ . 1 . 2]" 2
385 1 72 CYS H 1 74 GLN QB . . 5.500 4.811 4.654 4.937 . 0 0 "[ . 1 . 2]" 2
386 1 72 CYS H 1 74 GLN H . . 4.280 3.927 3.813 4.051 . 0 0 "[ . 1 . 2]" 2
387 1 71 SER QB 1 72 CYS H . . 3.000 2.565 2.396 2.720 . 0 0 "[ . 1 . 2]" 2
388 1 70 ALA HA 1 72 CYS H . . 4.820 4.268 3.999 4.533 . 0 0 "[ . 1 . 2]" 2
389 1 72 CYS H 1 72 CYS HB2 . . 2.930 2.388 2.337 2.451 . 0 0 "[ . 1 . 2]" 2
390 1 72 CYS H 1 72 CYS HB3 . . 3.680 3.595 3.583 3.611 . 0 0 "[ . 1 . 2]" 2
391 1 68 VAL HB 1 72 CYS H . . 4.810 4.504 4.331 4.670 . 0 0 "[ . 1 . 2]" 2
392 1 70 ALA MB 1 72 CYS H . . 4.680 4.412 4.186 4.583 . 0 0 "[ . 1 . 2]" 2
393 1 68 VAL MG2 1 72 CYS H . . 4.600 4.239 3.943 4.599 . 0 0 "[ . 1 . 2]" 2
394 1 16 ASN HD21 1 17 CYS H . . 4.750 4.350 4.271 4.410 . 0 0 "[ . 1 . 2]" 2
395 1 16 ASN HD21 1 23 THR HA . . 3.640 2.004 1.895 2.173 . 0 0 "[ . 1 . 2]" 2
396 1 16 ASN HD21 1 23 THR HB . . 4.260 4.146 3.767 4.267 0.007 20 0 "[ . 1 . 2]" 2
397 1 16 ASN HD21 1 23 THR MG . . 4.110 2.232 1.838 2.454 . 0 0 "[ . 1 . 2]" 2
398 1 16 ASN HD22 1 23 THR HA . . 3.810 3.508 3.256 3.748 . 0 0 "[ . 1 . 2]" 2
399 1 16 ASN HD22 1 23 THR HB . . 4.930 4.747 4.466 4.926 . 0 0 "[ . 1 . 2]" 2
400 1 16 ASN QB 1 16 ASN HD22 . . 3.620 3.418 3.401 3.435 . 0 0 "[ . 1 . 2]" 2
401 1 16 ASN HD22 1 23 THR MG . . 4.110 2.622 2.270 2.892 . 0 0 "[ . 1 . 2]" 2
402 1 24 PHE QE 1 31 ARG H . . 4.380 3.354 2.678 4.191 . 0 0 "[ . 1 . 2]" 2
403 1 24 PHE HZ 1 31 ARG H . . 4.930 4.623 4.213 4.945 0.015 14 0 "[ . 1 . 2]" 2
404 1 31 ARG H 1 41 CYS HA . . 4.290 3.403 2.996 3.660 . 0 0 "[ . 1 . 2]" 2
405 1 30 ARG HA 1 31 ARG H . . 2.800 2.187 2.140 2.271 . 0 0 "[ . 1 . 2]" 2
406 1 31 ARG H 1 40 PHE HB3 . . 5.500 5.439 5.193 5.541 0.041 20 0 "[ . 1 . 2]" 2
407 1 31 ARG H 1 42 SER HA . . 5.500 5.337 5.072 5.499 . 0 0 "[ . 1 . 2]" 2
408 1 31 ARG H 1 40 PHE HB2 . . 5.250 4.715 4.497 4.915 . 0 0 "[ . 1 . 2]" 2
409 1 31 ARG H 1 31 ARG HG2 . . 4.520 4.357 4.144 4.543 0.023 20 0 "[ . 1 . 2]" 2
410 1 31 ARG H 1 31 ARG HG3 . . 4.520 3.388 3.018 4.174 . 0 0 "[ . 1 . 2]" 2
411 1 30 ARG HB3 1 31 ARG H . . 4.600 4.277 4.098 4.521 . 0 0 "[ . 1 . 2]" 2
412 1 30 ARG QG 1 31 ARG H . . 3.700 3.381 2.803 3.643 . 0 0 "[ . 1 . 2]" 2
413 1 51 LYS H 1 52 SER H . . 4.390 2.605 2.219 3.172 . 0 0 "[ . 1 . 2]" 2
414 1 50 PRO HA 1 51 LYS H . . 2.960 2.157 2.149 2.207 . 0 0 "[ . 1 . 2]" 2
415 1 50 PRO HB2 1 51 LYS H . . 4.140 3.567 3.201 3.769 . 0 0 "[ . 1 . 2]" 2
416 1 50 PRO HB3 1 51 LYS H . . 4.140 4.025 3.786 4.165 0.025 6 0 "[ . 1 . 2]" 2
417 1 51 LYS H 1 51 LYS HB2 . . 3.780 3.582 3.032 3.641 . 0 0 "[ . 1 . 2]" 2
418 1 51 LYS H 1 51 LYS HB3 . . 3.780 2.735 2.143 2.924 . 0 0 "[ . 1 . 2]" 2
419 1 51 LYS H 1 51 LYS QG . . 3.560 2.126 1.867 3.749 0.189 10 0 "[ . 1 . 2]" 2
420 1 51 LYS H 1 66 VAL MG1 . . 4.210 3.498 3.144 3.916 . 0 0 "[ . 1 . 2]" 2
421 1 51 LYS H 1 66 VAL MG2 . . 4.560 3.366 2.770 3.726 . 0 0 "[ . 1 . 2]" 2
422 1 46 SER H 1 47 PHE QD . . 3.560 2.714 2.379 3.007 . 0 0 "[ . 1 . 2]" 2
423 1 46 SER H 1 69 CYS HA . . 4.880 4.138 3.912 4.304 . 0 0 "[ . 1 . 2]" 2
424 1 45 CYS HA 1 46 SER H . . 3.340 2.796 2.734 2.868 . 0 0 "[ . 1 . 2]" 2
425 1 46 SER H 1 47 PHE HA . . 5.050 4.735 4.530 4.855 . 0 0 "[ . 1 . 2]" 2
426 1 46 SER H 1 47 PHE HB2 . . 4.570 4.284 4.115 4.562 . 0 0 "[ . 1 . 2]" 2
427 1 59 PRO HA 1 62 GLN HE22 . . 4.730 3.908 2.701 4.717 . 0 0 "[ . 1 . 2]" 2
428 1 59 PRO HA 1 62 GLN HE21 . . 4.730 3.065 2.001 4.588 . 0 0 "[ . 1 . 2]" 2
429 1 31 ARG H 1 40 PHE H . . 3.620 3.233 2.923 3.558 . 0 0 "[ . 1 . 2]" 2
430 1 32 SER H 1 40 PHE H . . 5.220 4.869 4.663 5.110 . 0 0 "[ . 1 . 2]" 2
431 1 40 PHE H 1 40 PHE QD . . 3.860 3.587 3.416 3.684 . 0 0 "[ . 1 . 2]" 2
432 1 24 PHE HZ 1 40 PHE H . . 4.310 3.619 3.266 4.306 . 0 0 "[ . 1 . 2]" 2
433 1 32 SER HA 1 40 PHE H . . 3.700 3.644 3.417 3.723 0.023 8 0 "[ . 1 . 2]" 2
434 1 39 SER HA 1 40 PHE H . . 2.800 2.207 2.162 2.252 . 0 0 "[ . 1 . 2]" 2
435 1 39 SER HB3 1 40 PHE H . . 4.140 3.518 2.852 4.137 . 0 0 "[ . 1 . 2]" 2
436 1 40 PHE H 1 45 CYS HB3 . . 5.500 5.401 5.229 5.508 0.008 20 0 "[ . 1 . 2]" 2
437 1 40 PHE H 1 40 PHE HB2 . . 3.420 2.887 2.798 2.960 . 0 0 "[ . 1 . 2]" 2
438 1 40 PHE H 1 45 CYS HB2 . . 4.600 4.545 4.300 4.631 0.031 20 0 "[ . 1 . 2]" 2
439 1 31 ARG QB 1 40 PHE H . . 4.380 3.517 3.323 3.836 . 0 0 "[ . 1 . 2]" 2
440 1 30 ARG QG 1 40 PHE H . . 4.260 3.428 3.028 4.083 . 0 0 "[ . 1 . 2]" 2
441 1 24 PHE QE 1 40 PHE H . . 4.770 3.968 3.587 4.722 . 0 0 "[ . 1 . 2]" 2
442 1 30 ARG HA 1 40 PHE H . . 4.850 4.194 3.963 4.559 . 0 0 "[ . 1 . 2]" 2
443 1 24 PHE H 1 24 PHE QD . . 3.560 2.372 1.886 2.724 . 0 0 "[ . 1 . 2]" 2
444 1 24 PHE H 1 24 PHE QE . . 4.690 4.162 3.875 4.382 . 0 0 "[ . 1 . 2]" 2
445 1 23 THR HA 1 24 PHE H . . 2.720 2.246 2.192 2.280 . 0 0 "[ . 1 . 2]" 2
446 1 23 THR HB 1 24 PHE H . . 3.910 3.776 3.685 3.932 0.022 19 0 "[ . 1 . 2]" 2
447 1 24 PHE H 1 24 PHE HB2 . . 3.840 2.673 2.527 2.864 . 0 0 "[ . 1 . 2]" 2
448 1 24 PHE H 1 24 PHE HB3 . . 3.840 3.677 3.622 3.739 . 0 0 "[ . 1 . 2]" 2
449 1 23 THR MG 1 24 PHE H . . 3.360 2.032 1.875 2.417 . 0 0 "[ . 1 . 2]" 2
450 1 17 CYS H 1 41 CYS H . . 5.500 5.444 5.348 5.523 0.023 14 0 "[ . 1 . 2]" 2
451 1 20 CYS H 1 22 ALA H . . 3.930 3.625 3.319 3.947 0.017 20 0 "[ . 1 . 2]" 2
452 1 17 CYS H 1 22 ALA H . . 3.640 2.877 2.346 3.326 . 0 0 "[ . 1 . 2]" 2
453 1 9 TYR H 1 9 TYR QD . . 5.090 2.824 1.932 4.466 . 0 0 "[ . 1 . 2]" 2
454 1 13 ASN HB2 1 14 PHE H . . 5.190 3.889 2.065 4.648 . 0 0 "[ . 1 . 2]" 2
455 1 13 ASN HB3 1 14 PHE H . . 5.190 3.485 2.392 4.419 . 0 0 "[ . 1 . 2]" 2
456 1 14 PHE HB2 1 15 GLY H . . 4.710 3.097 2.078 4.547 . 0 0 "[ . 1 . 2]" 2
457 1 14 PHE HB2 1 16 ASN H . . 5.500 4.599 3.123 5.498 . 0 0 "[ . 1 . 2]" 2
458 1 14 PHE HB3 1 16 ASN H . . 5.500 4.560 2.576 5.481 . 0 0 "[ . 1 . 2]" 2
459 1 16 ASN HA 1 16 ASN HD22 . . 4.720 3.872 3.811 3.918 . 0 0 "[ . 1 . 2]" 2
460 1 16 ASN HA 1 16 ASN HD21 . . 4.440 2.320 2.237 2.383 . 0 0 "[ . 1 . 2]" 2
461 1 17 CYS H 1 41 CYS HB3 . . 4.960 4.672 4.480 4.859 . 0 0 "[ . 1 . 2]" 2
462 1 17 CYS H 1 40 PHE HA . . 5.200 5.034 4.684 5.180 . 0 0 "[ . 1 . 2]" 2
463 1 19 GLY H 1 40 PHE QD . . 3.430 3.245 3.021 3.421 . 0 0 "[ . 1 . 2]" 2
464 1 19 GLY H 1 41 CYS H . . 5.110 4.993 4.825 5.133 0.023 5 0 "[ . 1 . 2]" 2
465 1 20 CYS H 1 40 PHE QD . . 4.500 4.336 4.148 4.491 . 0 0 "[ . 1 . 2]" 2
466 1 16 ASN QB 1 22 ALA H . . 4.730 3.581 3.174 3.945 . 0 0 "[ . 1 . 2]" 2
467 1 21 SER HB2 1 22 ALA H . . 5.010 4.386 4.112 4.657 . 0 0 "[ . 1 . 2]" 2
468 1 22 ALA H 1 23 THR H . . 4.530 4.223 4.115 4.376 . 0 0 "[ . 1 . 2]" 2
469 1 16 ASN HD21 1 23 THR H . . 5.030 4.043 3.760 4.296 . 0 0 "[ . 1 . 2]" 2
470 1 16 ASN QB 1 24 PHE H . . 4.650 4.501 4.214 4.653 0.003 11 0 "[ . 1 . 2]" 2
471 1 26 VAL QG 1 28 LYS H . . 5.370 4.292 3.609 5.174 . 0 0 "[ . 1 . 2]" 2
472 1 30 ARG H 1 30 ARG HD2 . . 5.500 5.362 4.680 5.555 0.055 4 0 "[ . 1 . 2]" 2
473 1 24 PHE QE 1 30 ARG H . . 5.500 4.981 4.484 5.391 . 0 0 "[ . 1 . 2]" 2
474 1 24 PHE QD 1 30 ARG H . . 5.000 3.689 3.155 4.298 . 0 0 "[ . 1 . 2]" 2
475 1 24 PHE QD 1 31 ARG H . . 4.930 4.225 3.804 4.912 . 0 0 "[ . 1 . 2]" 2
476 1 31 ARG H 1 32 SER H . . 5.030 4.564 4.481 4.609 . 0 0 "[ . 1 . 2]" 2
477 1 31 ARG H 1 31 ARG QB . . 3.420 2.193 2.155 2.252 . 0 0 "[ . 1 . 2]" 2
478 1 33 CYS H 1 40 PHE HB2 . . 4.940 4.368 4.016 4.645 . 0 0 "[ . 1 . 2]" 2
479 1 33 CYS H 1 38 ASN HB2 . . 5.130 4.441 4.313 4.593 . 0 0 "[ . 1 . 2]" 2
480 1 33 CYS H 1 33 CYS HB3 . . 3.050 2.638 2.584 2.692 . 0 0 "[ . 1 . 2]" 2
481 1 33 CYS H 1 40 PHE QD . . 3.460 2.792 2.515 3.041 . 0 0 "[ . 1 . 2]" 2
482 1 35 ASN H 1 36 CYS HB3 . . 5.310 5.221 5.162 5.247 . 0 0 "[ . 1 . 2]" 2
483 1 35 ASN HD22 1 72 CYS HB2 . . 5.220 5.209 5.027 5.253 0.033 8 0 "[ . 1 . 2]" 2
484 1 35 ASN HD22 1 36 CYS HB2 . . 5.500 5.522 5.506 5.543 0.043 12 0 "[ . 1 . 2]" 2
485 1 35 ASN HD22 1 76 LEU HG . . 4.960 4.253 3.943 4.574 . 0 0 "[ . 1 . 2]" 2
486 1 35 ASN HD22 1 75 THR MG . . 4.880 4.731 4.507 4.899 0.019 3 0 "[ . 1 . 2]" 2
487 1 35 ASN HD22 1 72 CYS HA . . 4.790 4.560 4.275 4.722 . 0 0 "[ . 1 . 2]" 2
488 1 35 ASN HD21 1 36 CYS HB2 . . 5.500 5.113 4.796 5.454 . 0 0 "[ . 1 . 2]" 2
489 1 35 ASN HD21 1 75 THR HB . . 5.100 4.992 4.782 5.113 0.013 5 0 "[ . 1 . 2]" 2
490 1 35 ASN HD21 1 75 THR MG . . 5.500 5.321 5.145 5.428 . 0 0 "[ . 1 . 2]" 2
491 1 35 ASN H 1 35 ASN HD21 . . 4.870 4.534 4.508 4.560 . 0 0 "[ . 1 . 2]" 2
492 1 37 GLY H 1 40 PHE HE2 . . 4.930 4.417 4.212 4.761 . 0 0 "[ . 1 . 2]" 2
493 1 35 ASN HA 1 37 GLY H . . 4.970 4.604 4.484 4.785 . 0 0 "[ . 1 . 2]" 2
494 1 33 CYS HB3 1 37 GLY H . . 3.430 1.882 1.869 1.899 . 0 0 "[ . 1 . 2]" 2
495 1 37 GLY H 1 68 VAL MG1 . . 5.500 5.195 4.886 5.450 . 0 0 "[ . 1 . 2]" 2
496 1 35 ASN HB3 1 37 GLY H . . 5.030 4.233 4.132 4.348 . 0 0 "[ . 1 . 2]" 2
497 1 41 CYS H 1 44 CYS HA . . 5.500 5.452 5.311 5.512 0.012 6 0 "[ . 1 . 2]" 2
498 1 31 ARG QB 1 41 CYS H . . 5.370 4.666 4.362 4.926 . 0 0 "[ . 1 . 2]" 2
499 1 22 ALA MB 1 41 CYS H . . 5.410 4.998 4.478 5.416 0.006 14 0 "[ . 1 . 2]" 2
500 1 41 CYS H 1 42 SER H . . 4.900 4.499 4.471 4.529 . 0 0 "[ . 1 . 2]" 2
501 1 40 PHE H 1 41 CYS H . . 4.860 4.385 4.361 4.411 . 0 0 "[ . 1 . 2]" 2
502 1 42 SER H 1 43 ARG HB2 . . 5.090 4.376 4.226 4.593 . 0 0 "[ . 1 . 2]" 2
503 1 41 CYS HA 1 44 CYS H . . 4.890 4.744 4.704 4.800 . 0 0 "[ . 1 . 2]" 2
504 1 44 CYS H 1 45 CYS HB3 . . 4.770 4.593 4.426 4.753 . 0 0 "[ . 1 . 2]" 2
505 1 45 CYS H 1 46 SER H . . 3.400 3.087 2.936 3.234 . 0 0 "[ . 1 . 2]" 2
506 1 45 CYS HB2 1 46 SER H . . 4.640 4.611 4.568 4.638 . 0 0 "[ . 1 . 2]" 2
507 1 45 CYS HG 1 46 SER H . . 4.940 4.685 4.551 4.885 . 0 0 "[ . 1 . 2]" 2
508 1 45 CYS HB3 1 46 SER H . . 4.760 4.218 4.146 4.280 . 0 0 "[ . 1 . 2]" 2
509 1 49 VAL H 1 67 PHE QD . . 5.410 5.230 4.930 5.395 . 0 0 "[ . 1 . 2]" 2
510 1 49 VAL H 1 68 VAL H . . 4.830 4.325 3.937 4.734 . 0 0 "[ . 1 . 2]" 2
511 1 54 MET H 1 54 MET QG . . 4.720 3.105 1.944 4.055 . 0 0 "[ . 1 . 2]" 2
512 1 53 SER QB 1 54 MET H . . 5.080 3.412 2.315 4.059 . 0 0 "[ . 1 . 2]" 2
513 1 56 ALA MB 1 57 THR H . . 5.030 3.213 2.287 3.689 . 0 0 "[ . 1 . 2]" 2
514 1 58 ALA HA 1 60 GLU H . . 4.920 3.898 3.754 4.180 . 0 0 "[ . 1 . 2]" 2
515 1 68 VAL H 1 69 CYS H . . 5.070 4.444 4.405 4.476 . 0 0 "[ . 1 . 2]" 2
516 1 45 CYS HG 1 68 VAL H . . 5.280 3.887 3.335 4.793 . 0 0 "[ . 1 . 2]" 2
517 1 35 ASN H 1 69 CYS H . . 5.260 4.449 4.338 4.523 . 0 0 "[ . 1 . 2]" 2
518 1 33 CYS HA 1 69 CYS H . . 4.860 4.024 3.825 4.216 . 0 0 "[ . 1 . 2]" 2
519 1 49 VAL MG2 1 69 CYS H . . 5.490 5.382 5.224 5.518 0.028 20 0 "[ . 1 . 2]" 2
520 1 68 VAL MG2 1 73 ASN HD21 . . 4.910 4.764 4.637 4.912 0.002 11 0 "[ . 1 . 2]" 2
521 1 70 ALA MB 1 73 ASN HD21 . . 5.120 4.603 4.113 5.012 . 0 0 "[ . 1 . 2]" 2
522 1 68 VAL MG2 1 73 ASN HD22 . . 5.120 5.132 5.081 5.188 0.068 11 0 "[ . 1 . 2]" 2
523 1 74 GLN H 1 75 THR H . . 3.100 2.628 2.569 2.676 . 0 0 "[ . 1 . 2]" 2
524 1 72 CYS HB3 1 75 THR H . . 5.030 4.944 4.873 5.012 . 0 0 "[ . 1 . 2]" 2
525 1 73 ASN H 1 75 THR H . . 4.640 4.428 4.341 4.526 . 0 0 "[ . 1 . 2]" 2
526 1 72 CYS H 1 75 THR H . . 5.050 4.748 4.673 4.837 . 0 0 "[ . 1 . 2]" 2
527 1 37 GLY H 1 38 ASN HB2 . . 5.290 4.861 4.729 4.943 . 0 0 "[ . 1 . 2]" 2
528 1 50 PRO HA 1 66 VAL H . . 3.880 3.760 3.467 3.894 0.014 3 0 "[ . 1 . 2]" 2
529 1 16 ASN HA 1 24 PHE H . . 3.710 3.362 2.978 3.640 . 0 0 "[ . 1 . 2]" 2
530 1 23 THR H 1 24 PHE H . . 4.680 4.628 4.602 4.640 . 0 0 "[ . 1 . 2]" 2
531 1 43 ARG H 1 44 CYS H . . 2.960 1.929 1.794 2.064 . 0 0 "[ . 1 . 2]" 2
532 1 44 CYS H 1 45 CYS H . . 2.930 2.239 2.126 2.338 . 0 0 "[ . 1 . 2]" 2
533 1 48 LYS H 1 68 VAL H . . 5.040 4.973 4.889 5.038 . 0 0 "[ . 1 . 2]" 2
534 1 58 ALA H 1 59 PRO HD3 . . 5.360 4.957 4.549 5.120 . 0 0 "[ . 1 . 2]" 2
535 1 60 GLU HB3 1 61 ALA H . . 4.150 3.299 2.328 4.157 0.007 9 0 "[ . 1 . 2]" 2
536 1 70 ALA H 1 71 SER H . . 3.340 3.107 2.950 3.189 . 0 0 "[ . 1 . 2]" 2
537 1 73 ASN HD22 1 74 GLN H . . 4.840 4.789 4.657 4.847 0.007 18 0 "[ . 1 . 2]" 2
538 1 74 GLN QB 1 77 SER H . . 5.500 5.265 5.093 5.438 . 0 0 "[ . 1 . 2]" 2
539 1 78 LYS H 1 78 LYS QD . . 4.870 4.335 3.428 4.871 0.001 10 0 "[ . 1 . 2]" 2
540 1 35 ASN H 1 38 ASN H . . 5.500 5.459 5.364 5.505 0.005 20 0 "[ . 1 . 2]" 2
541 1 32 SER HA 1 38 ASN H . . 4.980 4.724 4.595 4.822 . 0 0 "[ . 1 . 2]" 2
542 1 24 PHE HA 1 24 PHE QD . . 3.800 2.958 2.706 3.239 . 0 0 "[ . 1 . 2]" 2
543 1 47 PHE QE 1 70 ALA H . . 4.730 3.225 2.574 3.806 . 0 0 "[ . 1 . 2]" 2
544 1 24 PHE QE 1 39 SER HB2 . . 4.500 3.674 2.487 4.476 . 0 0 "[ . 1 . 2]" 2
545 1 47 PHE HZ 1 70 ALA MB . . 4.020 3.218 2.347 3.801 . 0 0 "[ . 1 . 2]" 2
546 1 48 LYS HG3 1 67 PHE HZ . . 4.700 3.799 3.000 4.513 . 0 0 "[ . 1 . 2]" 2
547 1 48 LYS QE 1 67 PHE HZ . . 4.350 3.702 2.216 4.330 . 0 0 "[ . 1 . 2]" 2
548 1 24 PHE HZ 1 39 SER HB2 . . 4.640 3.497 2.698 4.613 . 0 0 "[ . 1 . 2]" 2
549 1 67 PHE HA 1 68 VAL HA . . 4.470 4.401 4.395 4.413 . 0 0 "[ . 1 . 2]" 2
550 1 33 CYS HB2 1 68 VAL HA . . 4.180 4.127 3.958 4.207 0.027 8 0 "[ . 1 . 2]" 2
551 1 68 VAL HA 1 68 VAL MG1 . . 3.150 2.374 2.206 2.445 . 0 0 "[ . 1 . 2]" 2
552 1 24 PHE QE 1 41 CYS HA . . 3.570 2.034 1.987 2.477 . 0 0 "[ . 1 . 2]" 2
553 1 30 ARG HA 1 41 CYS HA . . 4.330 3.805 3.440 4.243 . 0 0 "[ . 1 . 2]" 2
554 1 24 PHE QD 1 41 CYS HA . . 4.660 3.231 2.377 3.848 . 0 0 "[ . 1 . 2]" 2
555 1 24 PHE QE 1 40 PHE HA . . 4.730 3.699 3.221 4.202 . 0 0 "[ . 1 . 2]" 2
556 1 24 PHE HZ 1 40 PHE HA . . 4.080 3.024 2.728 3.389 . 0 0 "[ . 1 . 2]" 2
557 1 17 CYS HA 1 40 PHE HA . . 3.650 2.600 2.286 2.790 . 0 0 "[ . 1 . 2]" 2
558 1 40 PHE HA 1 40 PHE QD . . 3.960 2.680 2.627 2.753 . 0 0 "[ . 1 . 2]" 2
559 1 17 CYS HB3 1 40 PHE HA . . 4.580 4.340 4.162 4.533 . 0 0 "[ . 1 . 2]" 2
560 1 40 PHE HA 1 44 CYS HB2 . . 4.810 3.983 3.862 4.051 . 0 0 "[ . 1 . 2]" 2
561 1 67 PHE HA 1 67 PHE QD . . 3.770 2.604 2.218 3.105 . 0 0 "[ . 1 . 2]" 2
562 1 66 VAL HA 1 67 PHE HA . . 4.900 4.364 4.342 4.387 . 0 0 "[ . 1 . 2]" 2
563 1 67 PHE HA 1 68 VAL MG1 . . 4.300 3.685 3.478 3.948 . 0 0 "[ . 1 . 2]" 2
564 1 32 SER HA 1 40 PHE QD . . 4.830 3.909 3.693 4.041 . 0 0 "[ . 1 . 2]" 2
565 1 32 SER HA 1 39 SER HA . . 3.820 2.786 2.625 2.960 . 0 0 "[ . 1 . 2]" 2
566 1 32 SER HA 1 33 CYS HB2 . . 4.740 4.458 4.427 4.488 . 0 0 "[ . 1 . 2]" 2
567 1 47 PHE QD 1 73 ASN HB3 . . 4.860 3.654 3.443 3.906 . 0 0 "[ . 1 . 2]" 2
568 1 47 PHE QD 1 68 VAL MG2 . . 4.370 3.827 3.489 4.281 . 0 0 "[ . 1 . 2]" 2
569 1 33 CYS HB2 1 40 PHE QD . . 3.710 2.267 2.132 2.383 . 0 0 "[ . 1 . 2]" 2
570 1 47 PHE QD 1 70 ALA MB . . 5.240 3.517 3.294 3.791 . 0 0 "[ . 1 . 2]" 2
571 1 22 ALA MB 1 23 THR HB . . 5.500 5.027 4.933 5.149 . 0 0 "[ . 1 . 2]" 2
572 1 22 ALA MB 1 41 CYS HB2 . . 4.360 3.932 3.290 4.372 0.012 14 0 "[ . 1 . 2]" 2
573 1 17 CYS HB3 1 22 ALA MB . . 3.730 3.232 2.822 3.540 . 0 0 "[ . 1 . 2]" 2
574 1 22 ALA MB 1 28 LYS QD . . 4.180 3.212 1.889 4.209 0.029 19 0 "[ . 1 . 2]" 2
575 1 49 VAL MG2 1 66 VAL H . . 4.340 3.362 2.830 3.651 . 0 0 "[ . 1 . 2]" 2
576 1 34 SER HB3 1 49 VAL MG2 . . 5.080 4.486 4.002 5.052 . 0 0 "[ . 1 . 2]" 2
577 1 34 SER HB2 1 49 VAL MG2 . . 5.080 4.608 3.978 5.053 . 0 0 "[ . 1 . 2]" 2
578 1 35 ASN HB2 1 49 VAL MG2 . . 4.710 4.004 3.792 4.175 . 0 0 "[ . 1 . 2]" 2
579 1 49 VAL MG2 1 54 MET QG . . 4.390 4.052 3.333 4.391 0.001 10 0 "[ . 1 . 2]" 2
580 1 49 VAL MG2 1 76 LEU HB3 . . 4.460 4.131 3.637 4.385 . 0 0 "[ . 1 . 2]" 2
581 1 49 VAL MG2 1 76 LEU HB2 . . 4.380 4.048 3.505 4.402 0.022 19 0 "[ . 1 . 2]" 2
582 1 49 VAL MG2 1 66 VAL HB . . 4.790 4.313 3.962 4.554 . 0 0 "[ . 1 . 2]" 2
583 1 49 VAL MG2 1 68 VAL HB . . 4.950 3.697 3.570 3.900 . 0 0 "[ . 1 . 2]" 2
584 1 40 PHE HB3 1 45 CYS HB3 . . 4.420 3.951 3.654 4.295 . 0 0 "[ . 1 . 2]" 2
585 1 40 PHE HB2 1 41 CYS H . . 4.380 3.673 3.566 3.803 . 0 0 "[ . 1 . 2]" 2
586 1 40 PHE HB2 1 44 CYS HB2 . . 4.340 3.995 3.754 4.236 . 0 0 "[ . 1 . 2]" 2
587 1 51 LYS HA 1 61 ALA MB . . 5.500 5.316 4.611 5.512 0.012 6 0 "[ . 1 . 2]" 2
588 1 61 ALA MB 1 62 GLN QG . . 4.610 4.289 3.699 4.610 0.000 20 0 "[ . 1 . 2]" 2
589 1 68 VAL MG2 1 69 CYS H . . 3.950 3.114 2.827 3.455 . 0 0 "[ . 1 . 2]" 2
590 1 68 VAL MG2 1 76 LEU HB3 . . 5.230 5.054 4.777 5.225 . 0 0 "[ . 1 . 2]" 2
591 1 67 PHE HA 1 68 VAL MG2 . . 4.420 3.780 3.481 3.988 . 0 0 "[ . 1 . 2]" 2
592 1 47 PHE HB2 1 68 VAL MG2 . . 3.350 2.331 1.977 2.805 . 0 0 "[ . 1 . 2]" 2
593 1 47 PHE HB3 1 68 VAL MG2 . . 3.620 2.963 2.640 3.471 . 0 0 "[ . 1 . 2]" 2
594 1 68 VAL MG2 1 73 ASN HB3 . . 3.780 3.208 3.031 3.431 . 0 0 "[ . 1 . 2]" 2
595 1 68 VAL MG2 1 76 LEU HB2 . . 4.490 4.133 3.747 4.307 . 0 0 "[ . 1 . 2]" 2
596 1 47 PHE HA 1 68 VAL MG2 . . 4.830 4.495 4.205 4.830 . 10 0 "[ . 1 . 2]" 2
597 1 49 VAL H 1 66 VAL MG2 . . 4.430 2.917 2.756 3.479 . 0 0 "[ . 1 . 2]" 2
598 1 66 VAL HA 1 66 VAL MG2 . . 3.620 3.188 3.182 3.201 . 0 0 "[ . 1 . 2]" 2
599 1 34 SER HB2 1 66 VAL MG2 . . 3.570 2.855 2.290 3.567 . 0 0 "[ . 1 . 2]" 2
600 1 54 MET QG 1 66 VAL MG2 . . 4.650 4.389 3.627 4.652 0.002 11 0 "[ . 1 . 2]" 2
601 1 51 LYS HB3 1 66 VAL MG2 . . 4.860 2.294 1.980 3.586 . 0 0 "[ . 1 . 2]" 2
602 1 51 LYS QG 1 66 VAL MG2 . . 3.750 3.629 3.342 3.810 0.060 19 0 "[ . 1 . 2]" 2
603 1 19 GLY QA 1 40 PHE HE1 . . 4.120 3.055 2.721 3.328 . 0 0 "[ . 1 . 2]" 2
604 1 19 GLY QA 1 40 PHE QD . . 4.230 3.286 2.923 3.665 . 0 0 "[ . 1 . 2]" 2
605 1 17 CYS HB3 1 19 GLY QA . . 5.300 4.667 4.505 4.834 . 0 0 "[ . 1 . 2]" 2
606 1 18 THR HB 1 19 GLY QA . . 5.500 4.210 4.088 4.319 . 0 0 "[ . 1 . 2]" 2
607 1 70 ALA MB 1 73 ASN H . . 5.010 4.860 4.711 5.002 . 0 0 "[ . 1 . 2]" 2
608 1 70 ALA MB 1 71 SER QB . . 4.290 4.009 3.767 4.252 . 0 0 "[ . 1 . 2]" 2
609 1 47 PHE QE 1 70 ALA MB . . 3.050 2.276 1.975 2.856 . 0 0 "[ . 1 . 2]" 2
610 1 70 ALA MB 1 71 SER HA . . 4.140 3.675 3.600 3.747 . 0 0 "[ . 1 . 2]" 2
611 1 69 CYS HB2 1 70 ALA MB . . 4.670 4.073 3.954 4.138 . 0 0 "[ . 1 . 2]" 2
612 1 70 ALA MB 1 74 GLN QB . . 4.790 4.468 4.291 4.659 . 0 0 "[ . 1 . 2]" 2
613 1 58 ALA MB 1 59 PRO HD2 . . 3.530 2.121 1.897 2.446 . 0 0 "[ . 1 . 2]" 2
614 1 58 ALA MB 1 61 ALA H . . 4.630 2.715 1.920 3.809 . 0 0 "[ . 1 . 2]" 2
615 1 57 THR HA 1 58 ALA MB . . 4.740 3.975 3.718 4.351 . 0 0 "[ . 1 . 2]" 2
616 1 58 ALA MB 1 60 GLU QG . . 4.470 3.301 1.959 4.467 . 0 0 "[ . 1 . 2]" 2
617 1 15 GLY HA3 1 16 ASN HD21 . . 4.630 3.876 3.708 3.996 . 0 0 "[ . 1 . 2]" 2
618 1 15 GLY HA2 1 16 ASN HD21 . . 4.630 4.486 4.174 4.622 . 0 0 "[ . 1 . 2]" 2
619 1 80 GLY HA2 1 81 PRO QD . . 3.380 2.452 1.858 3.358 . 0 0 "[ . 1 . 2]" 2
620 1 80 GLY HA3 1 81 PRO QD . . 3.380 2.412 1.852 3.390 0.010 4 0 "[ . 1 . 2]" 2
621 1 31 ARG HD2 1 42 SER HA . . 4.360 2.324 1.992 3.570 . 0 0 "[ . 1 . 2]" 2
622 1 31 ARG QB 1 31 ARG HD2 . . 3.750 2.546 2.161 3.255 . 0 0 "[ . 1 . 2]" 2
623 1 31 ARG HD2 1 45 CYS HB3 . . 4.340 3.386 2.537 4.296 . 0 0 "[ . 1 . 2]" 2
624 1 31 ARG QB 1 31 ARG HD3 . . 3.750 2.358 2.068 2.627 . 0 0 "[ . 1 . 2]" 2
625 1 48 LYS HB3 1 65 THR HB . . 3.710 2.788 2.505 2.984 . 0 0 "[ . 1 . 2]" 2
626 1 65 THR HB 1 66 VAL MG2 . . 5.220 4.877 4.479 5.094 . 0 0 "[ . 1 . 2]" 2
627 1 49 VAL H 1 65 THR HB . . 4.230 3.938 3.392 4.241 0.011 16 0 "[ . 1 . 2]" 2
628 1 48 LYS HG2 1 65 THR HB . . 4.370 3.720 3.098 4.380 0.010 3 0 "[ . 1 . 2]" 2
629 1 43 ARG HA 1 43 ARG QD . . 4.260 3.445 2.032 4.198 . 0 0 "[ . 1 . 2]" 2
630 1 43 ARG HB2 1 43 ARG QD . . 3.640 2.704 2.105 3.456 . 0 0 "[ . 1 . 2]" 2
631 1 8 ARG HA 1 8 ARG QD . . 4.770 3.779 1.983 4.489 . 0 0 "[ . 1 . 2]" 2
632 1 30 ARG HD3 1 39 SER HB2 . . 5.320 4.818 3.728 5.354 0.034 19 0 "[ . 1 . 2]" 2
633 1 30 ARG HB3 1 30 ARG HD3 . . 4.060 3.053 2.510 3.829 . 0 0 "[ . 1 . 2]" 2
634 1 30 ARG HB2 1 30 ARG HD3 . . 4.060 2.266 2.064 2.827 . 0 0 "[ . 1 . 2]" 2
635 1 30 ARG HB2 1 30 ARG HD2 . . 4.060 3.184 2.493 3.537 . 0 0 "[ . 1 . 2]" 2
636 1 30 ARG HB3 1 30 ARG HD2 . . 4.060 3.863 3.494 4.158 0.098 11 0 "[ . 1 . 2]" 2
637 1 51 LYS HE3 1 51 LYS QG . . 3.480 2.552 2.111 3.469 . 0 0 "[ . 1 . 2]" 2
638 1 51 LYS HE3 1 66 VAL MG1 . . 3.860 2.600 1.964 3.916 0.056 13 0 "[ . 1 . 2]" 2
639 1 51 LYS HE3 1 64 GLU HB2 . . 5.460 4.409 3.460 5.531 0.071 19 0 "[ . 1 . 2]" 2
640 1 51 LYS HE3 1 64 GLU HB3 . . 5.460 3.303 2.071 4.517 . 0 0 "[ . 1 . 2]" 2
641 1 51 LYS HE2 1 64 GLU HB2 . . 5.460 5.220 4.518 5.513 0.053 16 0 "[ . 1 . 2]" 2
642 1 51 LYS HE2 1 51 LYS QG . . 3.480 2.789 2.208 3.462 . 0 0 "[ . 1 . 2]" 2
643 1 51 LYS HE2 1 66 VAL MG1 . . 3.860 2.469 1.838 3.871 0.011 7 0 "[ . 1 . 2]" 2
644 1 76 LEU H 1 76 LEU HB3 . . 3.620 3.586 3.584 3.598 . 0 0 "[ . 1 . 2]" 2
645 1 73 ASN HA 1 76 LEU HB3 . . 4.560 4.403 4.268 4.491 . 0 0 "[ . 1 . 2]" 2
646 1 76 LEU HB2 1 76 LEU MD1 . . 3.250 2.257 2.098 2.375 . 0 0 "[ . 1 . 2]" 2
647 1 28 LYS HB3 1 28 LYS QE . . 4.240 3.702 2.524 4.190 . 0 0 "[ . 1 . 2]" 2
648 1 28 LYS QE 1 28 LYS QG . . 3.410 2.186 2.045 2.307 . 0 0 "[ . 1 . 2]" 2
649 1 22 ALA MB 1 28 LYS QE . . 3.700 2.920 1.964 3.695 . 0 0 "[ . 1 . 2]" 2
650 1 67 PHE HB3 1 68 VAL H . . 4.060 3.367 3.128 3.655 . 0 0 "[ . 1 . 2]" 2
651 1 67 PHE HB2 1 68 VAL H . . 4.540 4.320 4.197 4.475 . 0 0 "[ . 1 . 2]" 2
652 1 48 LYS QE 1 48 LYS HG2 . . 3.720 2.409 2.065 3.303 . 0 0 "[ . 1 . 2]" 2
653 1 48 LYS QE 1 67 PHE QE . . 4.290 3.744 2.797 4.177 . 0 0 "[ . 1 . 2]" 2
654 1 48 LYS HB2 1 48 LYS QE . . 4.160 3.394 2.415 4.134 . 0 0 "[ . 1 . 2]" 2
655 1 48 LYS QE 1 48 LYS HG3 . . 3.590 3.162 2.263 3.513 . 0 0 "[ . 1 . 2]" 2
656 1 48 LYS QE 1 65 THR MG . . 4.040 3.095 2.634 3.991 . 0 0 "[ . 1 . 2]" 2
657 1 16 ASN QB 1 22 ALA MB . . 5.450 4.415 4.014 4.647 . 0 0 "[ . 1 . 2]" 2
658 1 16 ASN QB 1 23 THR HA . . 4.400 2.592 2.212 2.792 . 0 0 "[ . 1 . 2]" 2
659 1 72 CYS HA 1 75 THR HB . . 3.330 2.731 2.638 2.862 . 0 0 "[ . 1 . 2]" 2
660 1 75 THR HB 1 76 LEU MD2 . . 4.470 3.923 3.670 4.205 . 0 0 "[ . 1 . 2]" 2
661 1 18 THR HB 1 19 GLY H . . 4.250 3.862 3.372 4.061 . 0 0 "[ . 1 . 2]" 2
662 1 18 THR HB 1 40 PHE HZ . . 4.610 2.874 2.539 3.168 . 0 0 "[ . 1 . 2]" 2
663 1 18 THR HB 1 40 PHE QD . . 4.400 3.537 3.420 3.790 . 0 0 "[ . 1 . 2]" 2
664 1 17 CYS HA 1 18 THR HB . . 4.980 4.877 4.734 5.006 0.026 3 0 "[ . 1 . 2]" 2
665 1 18 THR HB 1 38 ASN HB2 . . 4.680 3.839 3.503 4.274 . 0 0 "[ . 1 . 2]" 2
666 1 35 ASN HB2 1 72 CYS HB2 . . 4.860 4.791 4.523 4.883 0.023 12 0 "[ . 1 . 2]" 2
667 1 35 ASN HB3 1 72 CYS HB2 . . 4.720 3.690 3.574 3.764 . 0 0 "[ . 1 . 2]" 2
668 1 35 ASN HB3 1 72 CYS HB3 . . 4.160 3.015 2.921 3.115 . 0 0 "[ . 1 . 2]" 2
669 1 18 THR MG 1 38 ASN HB3 . . 4.320 3.626 3.206 3.906 . 0 0 "[ . 1 . 2]" 2
670 1 38 ASN HB2 1 40 PHE HE2 . . 4.080 2.001 1.988 2.017 . 0 0 "[ . 1 . 2]" 2
671 1 47 PHE HB3 1 73 ASN HB2 . . 4.650 2.455 2.197 2.716 . 0 0 "[ . 1 . 2]" 2
672 1 73 ASN H 1 73 ASN HB2 . . 3.650 2.522 2.479 2.592 . 0 0 "[ . 1 . 2]" 2
673 1 73 ASN HB2 1 74 GLN H . . 4.210 3.965 3.919 4.055 . 0 0 "[ . 1 . 2]" 2
674 1 47 PHE QD 1 73 ASN HB2 . . 4.860 3.605 3.246 3.994 . 0 0 "[ . 1 . 2]" 2
675 1 47 PHE HB2 1 73 ASN HB2 . . 4.460 2.436 2.156 2.635 . 0 0 "[ . 1 . 2]" 2
676 1 68 VAL MG2 1 73 ASN HB2 . . 3.780 1.923 1.883 1.997 . 0 0 "[ . 1 . 2]" 2
677 1 70 ALA HA 1 73 ASN HB3 . . 3.960 2.362 2.242 2.473 . 0 0 "[ . 1 . 2]" 2
678 1 73 ASN HB3 1 74 GLN H . . 4.210 2.678 2.629 2.789 . 0 0 "[ . 1 . 2]" 2
679 1 24 PHE HB2 1 30 ARG H . . 4.790 4.035 2.935 4.716 . 0 0 "[ . 1 . 2]" 2
680 1 18 THR HA 1 18 THR MG . . 3.090 2.242 2.164 2.331 . 0 0 "[ . 1 . 2]" 2
681 1 47 PHE HB2 1 73 ASN HB3 . . 4.460 3.505 3.193 3.886 . 0 0 "[ . 1 . 2]" 2
682 1 9 TYR HB2 1 10 PRO HD3 . . 5.090 4.354 3.405 5.093 0.003 17 0 "[ . 1 . 2]" 2
683 1 47 PHE HB3 1 73 ASN HB3 . . 4.650 3.452 3.210 3.739 . 0 0 "[ . 1 . 2]" 2
684 1 74 GLN QB 1 75 THR HA . . 4.530 3.854 3.817 3.888 . 0 0 "[ . 1 . 2]" 2
685 1 75 THR HA 1 78 LYS QD . . 4.420 3.291 2.095 4.429 0.009 12 0 "[ . 1 . 2]" 2
686 1 72 CYS HA 1 76 LEU HG . . 4.640 3.695 3.353 3.851 . 0 0 "[ . 1 . 2]" 2
687 1 72 CYS HA 1 76 LEU MD1 . . 4.490 4.306 4.042 4.453 . 0 0 "[ . 1 . 2]" 2
688 1 72 CYS HA 1 76 LEU H . . 4.520 3.777 3.444 3.912 . 0 0 "[ . 1 . 2]" 2
689 1 68 VAL HB 1 72 CYS HA . . 5.360 5.256 5.103 5.351 . 0 0 "[ . 1 . 2]" 2
690 1 72 CYS HA 1 75 THR MG . . 4.490 4.172 4.089 4.276 . 0 0 "[ . 1 . 2]" 2
691 1 24 PHE QE 1 39 SER HB3 . . 4.500 4.089 3.460 4.510 0.010 13 0 "[ . 1 . 2]" 2
692 1 24 PHE HZ 1 39 SER HB3 . . 4.640 4.044 3.108 4.655 0.015 5 0 "[ . 1 . 2]" 2
693 1 39 SER HB2 1 40 PHE H . . 4.140 3.495 2.925 4.108 . 0 0 "[ . 1 . 2]" 2
694 1 30 ARG HD2 1 39 SER HB2 . . 5.320 3.527 2.133 5.054 . 0 0 "[ . 1 . 2]" 2
695 1 30 ARG QG 1 39 SER HB2 . . 4.230 3.130 2.216 4.216 . 0 0 "[ . 1 . 2]" 2
696 1 51 LYS QD 1 64 GLU HG2 . . 4.930 2.977 1.906 4.156 . 0 0 "[ . 1 . 2]" 2
697 1 64 GLU HG2 1 66 VAL MG1 . . 5.220 3.949 2.910 5.002 . 0 0 "[ . 1 . 2]" 2
698 1 34 SER HB3 1 66 VAL HB . . 4.060 2.774 2.445 3.125 . 0 0 "[ . 1 . 2]" 2
699 1 34 SER HB2 1 66 VAL HB . . 4.060 2.727 2.483 2.911 . 0 0 "[ . 1 . 2]" 2
700 1 34 SER HB3 1 54 MET ME . . 4.670 3.399 2.308 4.205 . 0 0 "[ . 1 . 2]" 2
701 1 34 SER HB3 1 66 VAL MG2 . . 3.570 2.382 1.975 2.773 . 0 0 "[ . 1 . 2]" 2
702 1 76 LEU HB3 1 77 SER QB . . 5.050 4.745 4.162 5.039 . 0 0 "[ . 1 . 2]" 2
703 1 76 LEU HB2 1 77 SER QB . . 4.040 3.889 3.630 4.043 0.003 1 0 "[ . 1 . 2]" 2
704 1 34 SER HB2 1 68 VAL MG1 . . 3.810 2.692 1.997 3.293 . 0 0 "[ . 1 . 2]" 2
705 1 44 CYS HA 1 47 PHE QD . . 4.630 4.013 3.789 4.378 . 0 0 "[ . 1 . 2]" 2
706 1 44 CYS HA 1 47 PHE QE . . 4.850 2.832 2.636 3.044 . 0 0 "[ . 1 . 2]" 2
707 1 21 SER H 1 21 SER HB3 . . 4.160 3.848 2.866 4.103 . 0 0 "[ . 1 . 2]" 2
708 1 34 SER HA 1 68 VAL MG1 . . 4.590 4.420 4.167 4.534 . 0 0 "[ . 1 . 2]" 2
709 1 23 THR HA 1 23 THR MG . . 3.230 2.221 2.146 2.355 . 0 0 "[ . 1 . 2]" 2
710 1 48 LYS HB2 1 65 THR HB . . 4.670 4.507 4.245 4.670 . 0 0 "[ . 1 . 2]" 2
711 1 47 PHE HA 1 48 LYS HB2 . . 4.700 4.434 4.325 4.516 . 0 0 "[ . 1 . 2]" 2
712 1 48 LYS HB3 1 48 LYS QE . . 4.680 2.494 2.027 3.600 . 0 0 "[ . 1 . 2]" 2
713 1 71 SER HA 1 74 GLN QB . . 3.470 3.378 3.248 3.475 0.005 18 0 "[ . 1 . 2]" 2
714 1 31 ARG QB 1 42 SER HA . . 4.720 3.774 3.555 4.049 . 0 0 "[ . 1 . 2]" 2
715 1 42 SER HA 1 45 CYS H . . 4.710 3.840 3.664 4.013 . 0 0 "[ . 1 . 2]" 2
716 1 31 ARG HD3 1 42 SER HA . . 4.360 2.856 1.991 4.368 0.008 20 0 "[ . 1 . 2]" 2
717 1 74 GLN H 1 74 GLN HG3 . . 4.040 3.156 2.396 4.039 . 0 0 "[ . 1 . 2]" 2
718 1 74 GLN HA 1 74 GLN HG3 . . 3.890 3.212 2.320 3.744 . 0 0 "[ . 1 . 2]" 2
719 1 49 VAL HB 1 50 PRO HD3 . . 3.820 3.490 3.434 3.675 . 0 0 "[ . 1 . 2]" 2
720 1 57 THR HA 1 57 THR MG . . 3.310 2.695 2.185 3.207 . 0 0 "[ . 1 . 2]" 2
721 1 30 ARG HA 1 31 ARG QB . . 4.670 4.209 4.084 4.291 . 0 0 "[ . 1 . 2]" 2
722 1 20 CYS H 1 20 CYS HB2 . . 4.190 3.728 3.652 3.850 . 0 0 "[ . 1 . 2]" 2
723 1 51 LYS HB3 1 66 VAL MG1 . . 4.380 2.038 1.891 2.943 . 0 0 "[ . 1 . 2]" 2
724 1 33 CYS HA 1 68 VAL MG1 . . 4.680 4.376 4.130 4.566 . 0 0 "[ . 1 . 2]" 2
725 1 33 CYS HA 1 68 VAL HA . . 3.810 2.906 2.619 3.049 . 0 0 "[ . 1 . 2]" 2
726 1 17 CYS HA 1 24 PHE QE . . 4.040 3.169 2.827 3.379 . 0 0 "[ . 1 . 2]" 2
727 1 17 CYS HA 1 24 PHE HZ . . 3.560 2.037 1.980 2.208 . 0 0 "[ . 1 . 2]" 2
728 1 36 CYS HB2 1 38 ASN HD21 . . 4.470 3.427 3.302 3.603 . 0 0 "[ . 1 . 2]" 2
729 1 51 LYS HA 1 54 MET QG . . 4.320 3.123 1.918 4.314 . 0 0 "[ . 1 . 2]" 2
730 1 54 MET HA 1 54 MET QG . . 3.500 2.503 2.164 3.471 . 0 0 "[ . 1 . 2]" 2
731 1 24 PHE HA 1 28 LYS HB3 . . 4.980 2.729 1.997 4.951 . 0 0 "[ . 1 . 2]" 2
732 1 28 LYS HB2 1 28 LYS QE . . 4.240 3.233 2.035 4.260 0.020 16 0 "[ . 1 . 2]" 2
733 1 69 CYS H 1 69 CYS HB2 . . 3.940 3.664 3.639 3.685 . 0 0 "[ . 1 . 2]" 2
734 1 40 PHE QD 1 69 CYS HB2 . . 4.390 3.172 3.007 3.263 . 0 0 "[ . 1 . 2]" 2
735 1 40 PHE HE1 1 69 CYS HB2 . . 4.510 3.331 3.060 3.677 . 0 0 "[ . 1 . 2]" 2
736 1 33 CYS HB2 1 69 CYS HB2 . . 4.540 4.505 4.235 4.555 0.015 20 0 "[ . 1 . 2]" 2
737 1 69 CYS HB3 1 70 ALA H . . 4.360 4.094 3.983 4.152 . 0 0 "[ . 1 . 2]" 2
738 1 40 PHE QD 1 69 CYS HB3 . . 4.560 2.663 2.549 2.787 . 0 0 "[ . 1 . 2]" 2
739 1 40 PHE HE2 1 69 CYS HB3 . . 4.310 2.885 2.673 3.001 . 0 0 "[ . 1 . 2]" 2
740 1 33 CYS HB3 1 40 PHE QD . . 3.930 3.772 3.631 3.895 . 0 0 "[ . 1 . 2]" 2
741 1 33 CYS HB3 1 36 CYS H . . 4.070 3.608 3.536 3.686 . 0 0 "[ . 1 . 2]" 2
742 1 33 CYS HB3 1 40 PHE HE2 . . 3.740 3.141 2.917 3.511 . 0 0 "[ . 1 . 2]" 2
743 1 32 SER HA 1 33 CYS HB3 . . 4.910 4.733 4.691 4.779 . 0 0 "[ . 1 . 2]" 2
744 1 33 CYS HB3 1 35 ASN H . . 4.750 3.808 3.692 3.865 . 0 0 "[ . 1 . 2]" 2
745 1 33 CYS HB3 1 69 CYS H . . 4.640 4.562 4.473 4.637 . 0 0 "[ . 1 . 2]" 2
746 1 33 CYS HB2 1 36 CYS H . . 4.600 4.605 4.531 4.627 0.027 19 0 "[ . 1 . 2]" 2
747 1 33 CYS HB2 1 69 CYS HB3 . . 4.070 2.817 2.526 2.873 . 0 0 "[ . 1 . 2]" 2
748 1 33 CYS HB2 1 69 CYS H . . 4.190 3.604 3.449 3.743 . 0 0 "[ . 1 . 2]" 2
749 1 33 CYS HB2 1 40 PHE HE2 . . 3.680 2.255 2.015 2.548 . 0 0 "[ . 1 . 2]" 2
750 1 48 LYS HG2 1 66 VAL HA . . 5.080 5.007 4.673 5.094 0.014 10 0 "[ . 1 . 2]" 2
751 1 41 CYS H 1 41 CYS HB2 . . 4.150 3.625 3.606 3.650 . 0 0 "[ . 1 . 2]" 2
752 1 24 PHE QE 1 41 CYS HB2 . . 4.240 3.846 2.976 4.240 0.000 17 0 "[ . 1 . 2]" 2
753 1 41 CYS HB2 1 44 CYS HB2 . . 5.180 5.081 4.866 5.207 0.027 14 0 "[ . 1 . 2]" 2
754 1 28 LYS QD 1 41 CYS HB2 . . 4.330 2.585 1.997 3.919 . 0 0 "[ . 1 . 2]" 2
755 1 28 LYS QG 1 41 CYS HB2 . . 4.470 2.887 1.985 3.901 . 0 0 "[ . 1 . 2]" 2
756 1 24 PHE QE 1 41 CYS HB3 . . 4.110 2.965 1.999 3.567 . 0 0 "[ . 1 . 2]" 2
757 1 17 CYS HB3 1 41 CYS HB3 . . 4.430 3.955 3.551 4.324 . 0 0 "[ . 1 . 2]" 2
758 1 28 LYS QD 1 41 CYS HB3 . . 4.410 3.080 2.106 4.428 0.018 5 0 "[ . 1 . 2]" 2
759 1 28 LYS QG 1 41 CYS HB3 . . 4.630 3.715 2.486 4.534 . 0 0 "[ . 1 . 2]" 2
760 1 22 ALA MB 1 41 CYS HB3 . . 4.180 3.112 2.480 3.665 . 0 0 "[ . 1 . 2]" 2
761 1 30 ARG HB2 1 31 ARG H . . 4.600 4.548 4.205 4.640 0.040 11 0 "[ . 1 . 2]" 2
762 1 40 PHE QD 1 44 CYS HB3 . . 3.700 3.007 2.734 3.240 . 0 0 "[ . 1 . 2]" 2
763 1 19 GLY QA 1 44 CYS HB3 . . 4.520 3.856 3.421 4.127 . 0 0 "[ . 1 . 2]" 2
764 1 40 PHE HB3 1 44 CYS HB3 . . 4.050 3.127 2.875 3.301 . 0 0 "[ . 1 . 2]" 2
765 1 40 PHE HB3 1 44 CYS HB2 . . 3.940 2.308 2.149 2.498 . 0 0 "[ . 1 . 2]" 2
766 1 40 PHE QD 1 44 CYS HB2 . . 3.910 3.055 2.747 3.340 . 0 0 "[ . 1 . 2]" 2
767 1 51 LYS QD 1 64 GLU HB2 . . 4.210 3.205 2.419 3.772 . 0 0 "[ . 1 . 2]" 2
768 1 51 LYS QG 1 64 GLU HB2 . . 4.760 3.465 2.992 4.145 . 0 0 "[ . 1 . 2]" 2
769 1 61 ALA MB 1 64 GLU HB2 . . 5.230 3.749 2.674 4.977 . 0 0 "[ . 1 . 2]" 2
770 1 51 LYS HE2 1 64 GLU HB3 . . 5.460 4.140 3.361 4.701 . 0 0 "[ . 1 . 2]" 2
771 1 51 LYS QG 1 64 GLU HB3 . . 4.760 2.178 1.917 3.859 . 0 0 "[ . 1 . 2]" 2
772 1 47 PHE HA 1 47 PHE QD . . 3.820 2.886 2.723 3.033 . 0 0 "[ . 1 . 2]" 2
773 1 43 ARG HA 1 43 ARG HG2 . . 3.920 2.744 2.174 3.587 . 0 0 "[ . 1 . 2]" 2
774 1 19 GLY QA 1 44 CYS HB2 . . 4.650 4.501 4.132 4.680 0.030 7 0 "[ . 1 . 2]" 2
775 1 63 ARG HB2 1 63 ARG QD . . 3.840 2.740 2.071 3.466 . 0 0 "[ . 1 . 2]" 2
776 1 63 ARG HB3 1 63 ARG QD . . 3.840 2.720 2.094 3.497 . 0 0 "[ . 1 . 2]" 2
777 1 51 LYS HA 1 51 LYS QG . . 3.370 3.310 2.819 3.343 . 0 0 "[ . 1 . 2]" 2
778 1 51 LYS HA 1 66 VAL MG1 . . 3.990 3.915 3.533 4.058 0.068 16 0 "[ . 1 . 2]" 2
779 1 51 LYS HA 1 66 VAL MG2 . . 3.600 3.041 2.508 3.406 . 0 0 "[ . 1 . 2]" 2
780 1 74 GLN HA 1 74 GLN HG2 . . 3.890 2.606 2.164 3.658 . 0 0 "[ . 1 . 2]" 2
781 1 17 CYS HB3 1 24 PHE QE . . 4.940 4.577 4.041 4.926 . 0 0 "[ . 1 . 2]" 2
782 1 17 CYS HB3 1 21 SER HA . . 4.590 3.127 2.596 3.313 . 0 0 "[ . 1 . 2]" 2
783 1 17 CYS HB3 1 41 CYS H . . 4.470 4.229 3.972 4.424 . 0 0 "[ . 1 . 2]" 2
784 1 17 CYS HB2 1 41 CYS HB2 . . 4.610 4.392 4.182 4.594 . 0 0 "[ . 1 . 2]" 2
785 1 17 CYS HB2 1 41 CYS HB3 . . 4.070 2.639 2.444 2.844 . 0 0 "[ . 1 . 2]" 2
786 1 17 CYS HB2 1 21 SER H . . 4.410 4.301 3.711 4.418 0.008 18 0 "[ . 1 . 2]" 2
787 1 17 CYS HB2 1 24 PHE QE . . 4.580 3.181 2.339 3.668 . 0 0 "[ . 1 . 2]" 2
788 1 17 CYS HB2 1 24 PHE HZ . . 4.640 2.998 2.382 3.365 . 0 0 "[ . 1 . 2]" 2
789 1 17 CYS HB2 1 21 SER HA . . 5.280 4.563 3.860 4.845 . 0 0 "[ . 1 . 2]" 2
790 1 17 CYS HB2 1 22 ALA HA . . 5.500 5.264 4.831 5.513 0.013 14 0 "[ . 1 . 2]" 2
791 1 17 CYS HB2 1 22 ALA MB . . 3.830 3.254 2.600 3.707 . 0 0 "[ . 1 . 2]" 2
792 1 43 ARG H 1 43 ARG HB3 . . 3.770 3.308 2.623 3.774 0.004 13 0 "[ . 1 . 2]" 2
793 1 43 ARG HB2 1 44 CYS H . . 4.090 3.374 2.922 4.018 . 0 0 "[ . 1 . 2]" 2
794 1 60 GLU HA 1 60 GLU QG . . 3.380 2.830 2.354 3.403 0.023 2 0 "[ . 1 . 2]" 2
795 1 46 SER HA 1 67 PHE QE . . 4.600 3.835 3.131 4.567 . 0 0 "[ . 1 . 2]" 2
796 1 46 SER HA 1 67 PHE QD . . 3.740 2.900 2.044 3.604 . 0 0 "[ . 1 . 2]" 2
797 1 46 SER HA 1 67 PHE HB3 . . 4.400 3.917 3.147 4.399 . 0 0 "[ . 1 . 2]" 2
798 1 51 LYS HA 1 51 LYS QD . . 4.470 4.393 4.280 4.532 0.062 13 0 "[ . 1 . 2]" 2
799 1 51 LYS QD 1 64 GLU HB3 . . 4.210 2.476 1.891 3.245 . 0 0 "[ . 1 . 2]" 2
800 1 51 LYS QD 1 61 ALA MB . . 3.310 2.111 1.753 3.102 . 0 0 "[ . 1 . 2]" 2
801 1 51 LYS QD 1 66 VAL MG2 . . 4.750 4.350 3.456 4.752 0.002 8 0 "[ . 1 . 2]" 2
802 1 48 LYS H 1 48 LYS QD . . 4.730 4.108 3.758 4.739 0.009 3 0 "[ . 1 . 2]" 2
803 1 48 LYS QD 1 67 PHE QE . . 4.410 3.092 2.154 3.722 . 0 0 "[ . 1 . 2]" 2
804 1 48 LYS QD 1 67 PHE HZ . . 4.660 3.141 2.088 4.441 . 0 0 "[ . 1 . 2]" 2
805 1 73 ASN HA 1 76 LEU HB2 . . 4.360 2.790 2.696 2.882 . 0 0 "[ . 1 . 2]" 2
806 1 68 VAL MG2 1 73 ASN HA . . 3.360 2.415 2.187 2.652 . 0 0 "[ . 1 . 2]" 2
807 1 28 LYS HA 1 28 LYS QD . . 4.160 3.719 2.040 4.174 0.014 20 0 "[ . 1 . 2]" 2
808 1 62 GLN HA 1 62 GLN QG . . 3.500 2.552 2.186 3.334 . 0 0 "[ . 1 . 2]" 2
809 1 71 SER QB 1 72 CYS HB2 . . 5.100 4.456 4.357 4.558 . 0 0 "[ . 1 . 2]" 2
810 1 72 CYS HB2 1 73 ASN HA . . 5.400 4.253 4.164 4.332 . 0 0 "[ . 1 . 2]" 2
811 1 35 ASN HD21 1 72 CYS HB2 . . 4.350 3.586 3.399 3.702 . 0 0 "[ . 1 . 2]" 2
812 1 68 VAL HA 1 72 CYS HB2 . . 4.750 4.518 4.424 4.582 . 0 0 "[ . 1 . 2]" 2
813 1 68 VAL HB 1 72 CYS HB2 . . 3.480 2.386 2.202 2.509 . 0 0 "[ . 1 . 2]" 2
814 1 68 VAL MG2 1 72 CYS HB2 . . 3.640 2.913 2.608 3.279 . 0 0 "[ . 1 . 2]" 2
815 1 69 CYS H 1 72 CYS HB3 . . 4.360 4.198 4.100 4.369 0.009 18 0 "[ . 1 . 2]" 2
816 1 35 ASN HB2 1 72 CYS HB3 . . 3.910 3.821 3.674 3.926 0.016 12 0 "[ . 1 . 2]" 2
817 1 68 VAL HB 1 72 CYS HB3 . . 3.590 3.158 3.050 3.221 . 0 0 "[ . 1 . 2]" 2
818 1 68 VAL MG1 1 72 CYS HB3 . . 3.980 3.685 3.452 3.860 . 0 0 "[ . 1 . 2]" 2
819 1 68 VAL MG2 1 72 CYS HB3 . . 4.210 3.419 3.133 3.764 . 0 0 "[ . 1 . 2]" 2
820 1 29 LYS HA 1 29 LYS QD . . 4.140 3.790 2.044 4.211 0.071 15 0 "[ . 1 . 2]" 2
821 1 75 THR MG 1 76 LEU HA . . 4.290 3.512 3.177 3.636 . 0 0 "[ . 1 . 2]" 2
822 1 64 GLU HA 1 64 GLU HG3 . . 4.150 2.917 2.325 3.639 . 0 0 "[ . 1 . 2]" 2
823 1 64 GLU HA 1 64 GLU HG2 . . 4.150 3.576 2.478 3.808 . 0 0 "[ . 1 . 2]" 2
824 1 74 GLN QB 1 75 THR MG . . 5.160 5.031 5.003 5.051 . 0 0 "[ . 1 . 2]" 2
825 1 63 ARG HA 1 63 ARG QD . . 4.620 3.277 1.996 4.345 . 0 0 "[ . 1 . 2]" 2
826 1 63 ARG HA 1 63 ARG QG . . 3.520 2.594 2.159 3.365 . 0 0 "[ . 1 . 2]" 2
827 1 24 PHE QD 1 30 ARG HA . . 4.790 2.817 2.111 3.816 . 0 0 "[ . 1 . 2]" 2
828 1 24 PHE QE 1 30 ARG HA . . 4.150 2.835 2.279 3.731 . 0 0 "[ . 1 . 2]" 2
829 1 47 PHE QD 1 70 ALA HA . . 3.690 3.239 3.042 3.597 . 0 0 "[ . 1 . 2]" 2
830 1 47 PHE QE 1 70 ALA HA . . 4.250 3.253 2.823 3.742 . 0 0 "[ . 1 . 2]" 2
831 1 70 ALA HA 1 73 ASN HB2 . . 3.960 3.581 3.328 3.810 . 0 0 "[ . 1 . 2]" 2
832 1 54 MET HA 1 54 MET ME . . 4.600 4.439 4.019 4.651 0.051 11 0 "[ . 1 . 2]" 2
833 1 43 ARG H 1 43 ARG HG2 . . 4.660 4.181 3.082 4.581 . 0 0 "[ . 1 . 2]" 2
834 1 43 ARG H 1 43 ARG HG3 . . 4.660 4.042 2.943 4.704 0.044 14 0 "[ . 1 . 2]" 2
835 1 43 ARG HA 1 43 ARG HG3 . . 3.920 2.961 2.195 3.757 . 0 0 "[ . 1 . 2]" 2
836 1 75 THR HB 1 76 LEU HG . . 4.050 3.377 3.229 3.634 . 0 0 "[ . 1 . 2]" 2
837 1 76 LEU HA 1 76 LEU HG . . 4.250 3.072 2.951 3.157 . 0 0 "[ . 1 . 2]" 2
838 1 27 LEU HA 1 27 LEU HG . . 3.940 2.875 2.238 3.700 . 0 0 "[ . 1 . 2]" 2
839 1 26 VAL QG 1 27 LEU HG . . 4.020 3.226 2.012 4.029 0.009 20 0 "[ . 1 . 2]" 2
840 1 40 PHE QD 1 45 CYS HB3 . . 5.380 5.000 4.785 5.189 . 0 0 "[ . 1 . 2]" 2
841 1 42 SER HA 1 45 CYS HB3 . . 3.820 3.644 3.372 3.846 0.026 5 0 "[ . 1 . 2]" 2
842 1 31 ARG HD3 1 45 CYS HB3 . . 4.340 2.369 1.980 3.096 . 0 0 "[ . 1 . 2]" 2
843 1 40 PHE HB2 1 45 CYS HB3 . . 3.640 3.466 3.340 3.623 . 0 0 "[ . 1 . 2]" 2
844 1 31 ARG QB 1 45 CYS HB3 . . 4.220 2.614 2.357 2.828 . 0 0 "[ . 1 . 2]" 2
845 1 40 PHE QD 1 45 CYS HB2 . . 4.310 3.510 3.287 3.705 . 0 0 "[ . 1 . 2]" 2
846 1 40 PHE HB2 1 45 CYS HB2 . . 3.540 2.021 1.983 2.152 . 0 0 "[ . 1 . 2]" 2
847 1 31 ARG QB 1 45 CYS HB2 . . 4.540 3.087 2.681 3.382 . 0 0 "[ . 1 . 2]" 2
848 1 30 ARG H 1 30 ARG QG . . 4.000 3.924 3.838 4.026 0.026 11 0 "[ . 1 . 2]" 2
849 1 24 PHE QE 1 30 ARG QG . . 4.530 2.943 2.450 3.995 . 0 0 "[ . 1 . 2]" 2
850 1 24 PHE HZ 1 30 ARG QG . . 4.830 3.126 2.605 4.675 . 0 0 "[ . 1 . 2]" 2
851 1 30 ARG HA 1 30 ARG QG . . 3.760 2.262 2.135 2.742 . 0 0 "[ . 1 . 2]" 2
852 1 35 ASN HB2 1 76 LEU MD1 . . 4.080 2.714 2.315 3.014 . 0 0 "[ . 1 . 2]" 2
853 1 35 ASN HD21 1 76 LEU MD1 . . 4.560 3.415 2.924 3.779 . 0 0 "[ . 1 . 2]" 2
854 1 76 LEU H 1 76 LEU MD1 . . 4.470 3.496 3.337 3.585 . 0 0 "[ . 1 . 2]" 2
855 1 51 LYS QG 1 54 MET ME . . 5.040 4.461 4.060 5.014 . 0 0 "[ . 1 . 2]" 2
856 1 30 ARG QG 1 39 SER HB3 . . 4.230 2.740 1.973 3.691 . 0 0 "[ . 1 . 2]" 2
857 1 76 LEU HA 1 76 LEU MD1 . . 4.310 3.903 3.866 3.928 . 0 0 "[ . 1 . 2]" 2
858 1 73 ASN HA 1 76 LEU MD1 . . 4.220 2.492 2.192 2.961 . 0 0 "[ . 1 . 2]" 2
859 1 72 CYS HB2 1 76 LEU MD1 . . 4.370 3.563 3.300 3.839 . 0 0 "[ . 1 . 2]" 2
860 1 35 ASN HB3 1 76 LEU MD1 . . 3.670 3.389 2.941 3.669 . 0 0 "[ . 1 . 2]" 2
861 1 54 MET ME 1 76 LEU MD1 . . 4.140 2.693 1.858 3.695 . 0 0 "[ . 1 . 2]" 2
862 1 76 LEU HB3 1 76 LEU MD1 . . 3.260 2.431 2.322 2.541 . 0 0 "[ . 1 . 2]" 2
863 1 35 ASN HD22 1 76 LEU MD1 . . 4.820 4.104 3.568 4.510 . 0 0 "[ . 1 . 2]" 2
864 1 61 ALA HA 1 64 GLU HB2 . . 4.970 3.310 2.001 4.077 . 0 0 "[ . 1 . 2]" 2
865 1 61 ALA HA 1 64 GLU HB3 . . 4.970 4.045 2.795 4.903 . 0 0 "[ . 1 . 2]" 2
866 1 51 LYS QD 1 61 ALA HA . . 4.410 3.291 2.103 4.198 . 0 0 "[ . 1 . 2]" 2
867 1 48 LYS HG2 1 67 PHE QE . . 4.350 2.918 2.298 3.420 . 0 0 "[ . 1 . 2]" 2
868 1 48 LYS HG2 1 67 PHE HZ . . 4.950 3.639 3.269 4.056 . 0 0 "[ . 1 . 2]" 2
869 1 48 LYS HG2 1 67 PHE QD . . 4.850 3.370 2.585 3.853 . 0 0 "[ . 1 . 2]" 2
870 1 48 LYS HG3 1 67 PHE QE . . 4.320 2.350 2.020 3.070 . 0 0 "[ . 1 . 2]" 2
871 1 27 LEU HA 1 27 LEU MD1 . . 4.330 3.387 2.061 4.115 . 0 0 "[ . 1 . 2]" 2
872 1 56 ALA HA 1 57 THR MG . . 4.530 3.844 3.218 4.384 . 0 0 "[ . 1 . 2]" 2
873 1 24 PHE QD 1 28 LYS QG . . 4.560 2.952 2.076 4.420 . 0 0 "[ . 1 . 2]" 2
874 1 28 LYS HA 1 28 LYS QG . . 3.670 2.392 2.143 3.448 . 0 0 "[ . 1 . 2]" 2
875 1 27 LEU HA 1 27 LEU MD2 . . 4.330 2.851 1.991 4.052 . 0 0 "[ . 1 . 2]" 2
876 1 50 PRO HD3 1 65 THR MG . . 4.710 4.283 3.763 4.683 . 0 0 "[ . 1 . 2]" 2
877 1 9 TYR HB3 1 10 PRO HD2 . . 5.090 3.027 2.017 3.798 . 0 0 "[ . 1 . 2]" 2
878 1 49 VAL HB 1 50 PRO HD2 . . 3.020 2.049 1.985 2.261 . 0 0 "[ . 1 . 2]" 2
879 1 49 VAL MG1 1 50 PRO HD2 . . 3.660 3.201 3.085 3.304 . 0 0 "[ . 1 . 2]" 2
880 1 49 VAL MG2 1 50 PRO HD2 . . 3.930 3.569 3.451 3.728 . 0 0 "[ . 1 . 2]" 2
881 1 9 TYR QD 1 10 PRO HD3 . . 5.200 4.627 3.176 5.311 0.111 16 0 "[ . 1 . 2]" 2
882 1 9 TYR HB3 1 10 PRO HD3 . . 5.090 4.174 3.455 4.674 . 0 0 "[ . 1 . 2]" 2
883 1 35 ASN HB2 1 68 VAL MG1 . . 3.940 2.511 2.067 2.843 . 0 0 "[ . 1 . 2]" 2
884 1 49 VAL MG2 1 68 VAL MG1 . . 2.750 1.771 1.672 1.889 . 0 0 "[ . 1 . 2]" 2
885 1 58 ALA HA 1 59 PRO HD3 . . 3.100 2.326 2.259 2.426 . 0 0 "[ . 1 . 2]" 2
886 1 58 ALA MB 1 59 PRO HD3 . . 3.530 3.216 2.949 3.472 . 0 0 "[ . 1 . 2]" 2
887 1 58 ALA HA 1 59 PRO HD2 . . 3.100 2.442 2.259 2.645 . 0 0 "[ . 1 . 2]" 2
888 1 66 VAL HA 1 66 VAL MG1 . . 3.110 2.306 2.176 2.432 . 0 0 "[ . 1 . 2]" 2
889 1 54 MET ME 1 66 VAL MG1 . . 4.060 3.677 3.301 4.078 0.018 6 0 "[ . 1 . 2]" 2
890 1 51 LYS HB2 1 66 VAL MG1 . . 4.380 3.236 1.904 3.632 . 0 0 "[ . 1 . 2]" 2
891 1 51 LYS QD 1 66 VAL MG1 . . 3.550 3.034 1.849 3.544 . 0 0 "[ . 1 . 2]" 2
892 1 51 LYS QG 1 66 VAL MG1 . . 3.260 2.764 2.048 3.320 0.060 19 0 "[ . 1 . 2]" 2
893 1 68 VAL H 1 68 VAL MG1 . . 4.220 2.829 2.583 3.098 . 0 0 "[ . 1 . 2]" 2
894 1 68 VAL MG1 1 72 CYS HB2 . . 4.090 3.772 3.537 3.954 . 0 0 "[ . 1 . 2]" 2
895 1 72 CYS HB3 1 76 LEU MD2 . . 4.620 3.755 3.431 3.946 . 0 0 "[ . 1 . 2]" 2
896 1 49 VAL H 1 68 VAL MG1 . . 4.920 3.912 3.611 4.323 . 0 0 "[ . 1 . 2]" 2
897 1 34 SER HB3 1 68 VAL MG1 . . 3.810 2.861 2.165 3.492 . 0 0 "[ . 1 . 2]" 2
898 1 23 THR H 1 23 THR MG . . 4.090 3.739 3.696 3.765 . 0 0 "[ . 1 . 2]" 2
899 1 16 ASN QB 1 23 THR MG . . 4.550 3.961 3.599 4.149 . 0 0 "[ . 1 . 2]" 2
900 1 49 VAL MG1 1 73 ASN HA . . 3.960 2.500 2.147 2.932 . 0 0 "[ . 1 . 2]" 2
901 1 49 VAL MG1 1 50 PRO HD3 . . 4.140 3.951 3.785 4.051 . 0 0 "[ . 1 . 2]" 2
902 1 47 PHE HB2 1 49 VAL MG1 . . 4.450 3.798 3.511 4.019 . 0 0 "[ . 1 . 2]" 2
903 1 54 MET HA 1 76 LEU MD2 . . 4.210 3.470 2.646 4.161 . 0 0 "[ . 1 . 2]" 2
904 1 76 LEU HA 1 76 LEU MD2 . . 2.810 2.165 1.975 2.374 . 0 0 "[ . 1 . 2]" 2
905 1 76 LEU HB2 1 76 LEU MD2 . . 3.200 3.181 3.167 3.192 . 0 0 "[ . 1 . 2]" 2
906 1 47 PHE HB3 1 49 VAL MG1 . . 4.510 3.047 2.799 3.491 . 0 0 "[ . 1 . 2]" 2
907 1 75 THR H 1 75 THR MG . . 3.830 3.766 3.738 3.772 . 0 0 "[ . 1 . 2]" 2
908 1 75 THR HA 1 75 THR MG . . 3.130 2.370 2.277 2.459 . 0 0 "[ . 1 . 2]" 2
909 1 50 PRO HA 1 65 THR MG . . 3.880 3.410 2.852 3.737 . 0 0 "[ . 1 . 2]" 2
910 1 64 GLU HA 1 65 THR MG . . 4.420 3.706 3.528 4.142 . 0 0 "[ . 1 . 2]" 2
911 1 48 LYS HB2 1 65 THR MG . . 4.860 4.620 4.057 4.851 . 0 0 "[ . 1 . 2]" 2
912 1 48 LYS HB3 1 65 THR MG . . 3.730 3.362 2.750 3.608 . 0 0 "[ . 1 . 2]" 2
913 1 18 THR MG 1 38 ASN HD21 . . 3.940 3.284 3.066 3.441 . 0 0 "[ . 1 . 2]" 2
914 1 18 THR MG 1 40 PHE HZ . . 4.280 3.364 2.843 3.796 . 0 0 "[ . 1 . 2]" 2
915 1 18 THR MG 1 40 PHE HE1 . . 3.860 3.333 3.028 3.812 . 0 0 "[ . 1 . 2]" 2
916 1 18 THR MG 1 38 ASN HB2 . . 4.110 4.058 3.927 4.118 0.008 7 0 "[ . 1 . 2]" 2
917 1 49 VAL H 1 65 THR MG . . 5.270 4.562 4.035 4.879 . 0 0 "[ . 1 . 2]" 2
918 1 51 LYS H 1 65 THR MG . . 5.500 4.724 3.902 5.270 . 0 0 "[ . 1 . 2]" 2
919 1 65 THR MG 1 66 VAL H . . 4.060 3.861 3.571 4.038 . 0 0 "[ . 1 . 2]" 2
920 1 26 VAL HA 1 26 VAL QG . . 3.190 2.216 2.065 2.383 . 0 0 "[ . 1 . 2]" 2
921 1 26 VAL QG 1 27 LEU HA . . 4.670 3.580 3.048 4.684 0.014 12 0 "[ . 1 . 2]" 2
922 1 7 GLY QA 1 8 ARG QB . . 5.210 4.081 3.688 4.341 . 0 0 "[ . 1 . 2]" 2
923 1 8 ARG QB 1 9 TYR QD . . 5.000 4.385 2.313 5.001 0.001 2 0 "[ . 1 . 2]" 2
924 1 9 TYR HB2 1 10 PRO HD2 . . 5.090 3.224 2.004 4.556 . 0 0 "[ . 1 . 2]" 2
925 1 9 TYR QD 1 10 PRO HD2 . . 5.200 3.663 2.425 4.607 . 0 0 "[ . 1 . 2]" 2
926 1 13 ASN HA 1 14 PHE QD . . 5.050 3.947 3.116 4.722 . 0 0 "[ . 1 . 2]" 2
927 1 16 ASN QB 1 23 THR HB . . 5.500 4.817 4.405 4.981 . 0 0 "[ . 1 . 2]" 2
928 1 18 THR HB 1 40 PHE HE1 . . 4.210 2.312 2.076 2.620 . 0 0 "[ . 1 . 2]" 2
929 1 18 THR MG 1 19 GLY QA . . 5.000 3.951 3.667 4.107 . 0 0 "[ . 1 . 2]" 2
930 1 16 ASN QB 1 21 SER HA . . 3.660 2.654 2.305 2.985 . 0 0 "[ . 1 . 2]" 2
931 1 21 SER HB3 1 22 ALA H . . 5.010 4.379 4.100 4.635 . 0 0 "[ . 1 . 2]" 2
932 1 24 PHE QE 1 30 ARG HD2 . . 5.170 2.386 1.994 3.457 . 0 0 "[ . 1 . 2]" 2
933 1 24 PHE QE 1 30 ARG HD3 . . 5.170 3.435 2.149 4.193 . 0 0 "[ . 1 . 2]" 2
934 1 33 CYS HB3 1 69 CYS HB3 . . 4.560 4.444 4.187 4.514 . 0 0 "[ . 1 . 2]" 2
935 1 33 CYS HB2 1 35 ASN H . . 4.940 4.650 4.575 4.697 . 0 0 "[ . 1 . 2]" 2
936 1 34 SER HB2 1 54 MET ME . . 4.670 4.296 3.394 4.676 0.006 14 0 "[ . 1 . 2]" 2
937 1 43 ARG H 1 43 ARG QD . . 4.920 4.258 2.700 4.801 . 0 0 "[ . 1 . 2]" 2
938 1 43 ARG HB3 1 44 CYS HA . . 4.820 4.327 4.126 4.531 . 0 0 "[ . 1 . 2]" 2
939 1 44 CYS HA 1 70 ALA MB . . 4.820 3.047 2.514 3.428 . 0 0 "[ . 1 . 2]" 2
940 1 40 PHE HB2 1 44 CYS HB3 . . 4.790 4.613 4.338 4.812 0.022 5 0 "[ . 1 . 2]" 2
941 1 40 PHE HA 1 44 CYS HB3 . . 5.010 4.939 4.803 5.021 0.011 11 0 "[ . 1 . 2]" 2
942 1 49 VAL MG2 1 67 PHE HA . . 4.750 3.992 3.686 4.237 . 0 0 "[ . 1 . 2]" 2
943 1 51 LYS HA 1 54 MET ME . . 3.580 2.229 1.866 3.031 . 0 0 "[ . 1 . 2]" 2
944 1 54 MET ME 1 68 VAL MG1 . . 3.200 2.681 2.145 3.166 . 0 0 "[ . 1 . 2]" 2
945 1 54 MET ME 1 66 VAL MG2 . . 3.020 2.282 1.766 2.821 . 0 0 "[ . 1 . 2]" 2
946 1 58 ALA MB 1 60 GLU HA . . 4.730 4.598 4.403 4.709 . 0 0 "[ . 1 . 2]" 2
947 1 48 LYS HG3 1 67 PHE QD . . 4.500 3.361 2.621 3.893 . 0 0 "[ . 1 . 2]" 2
948 1 54 MET ME 1 76 LEU MD2 . . 4.530 3.336 2.653 4.100 . 0 0 "[ . 1 . 2]" 2
949 1 40 PHE HB3 1 45 CYS HB2 . . 3.860 2.708 2.416 3.031 . 0 0 "[ . 1 . 2]" 2
950 1 40 PHE HZ 1 69 CYS HB3 . . 4.820 3.749 3.534 3.959 . 0 0 "[ . 1 . 2]" 2
951 1 40 PHE HZ 1 69 CYS HB2 . . 4.560 3.626 3.289 3.902 . 0 0 "[ . 1 . 2]" 2
952 1 19 GLY QA 1 20 CYS HB3 . . 5.500 4.239 4.075 4.341 . 0 0 "[ . 1 . 2]" 2
953 1 19 GLY QA 1 20 CYS HB2 . . 5.500 5.395 5.334 5.433 . 0 0 "[ . 1 . 2]" 2
954 1 51 LYS HB2 1 66 VAL MG2 . . 4.860 3.581 2.301 4.014 . 0 0 "[ . 1 . 2]" 2
955 1 52 SER HA 1 57 THR MG . . 4.970 3.689 2.317 4.966 . 0 0 "[ . 1 . 2]" 2
956 1 53 SER QB 1 54 MET HA . . 5.270 4.311 3.781 4.777 . 0 0 "[ . 1 . 2]" 2
957 1 58 ALA MB 1 59 PRO HA . . 4.870 4.391 4.313 4.463 . 0 0 "[ . 1 . 2]" 2
958 1 58 ALA MB 1 59 PRO HG2 . . 4.900 3.733 3.490 3.997 . 0 0 "[ . 1 . 2]" 2
959 1 58 ALA MB 1 59 PRO HG3 . . 4.900 4.418 4.154 4.695 . 0 0 "[ . 1 . 2]" 2
960 1 61 ALA MB 1 64 GLU HB3 . . 5.230 3.650 3.030 4.421 . 0 0 "[ . 1 . 2]" 2
961 1 64 GLU HG3 1 66 VAL MG1 . . 5.220 3.404 2.406 5.042 . 0 0 "[ . 1 . 2]" 2
962 1 51 LYS QD 1 64 GLU HG3 . . 4.930 3.693 2.243 4.681 . 0 0 "[ . 1 . 2]" 2
963 1 65 THR HB 1 66 VAL HA . . 4.700 4.482 4.238 4.628 . 0 0 "[ . 1 . 2]" 2
964 1 48 LYS QE 1 65 THR HB . . 5.030 2.480 2.016 3.627 . 0 0 "[ . 1 . 2]" 2
965 1 66 VAL MG2 1 67 PHE HA . . 5.330 4.062 3.925 4.308 . 0 0 "[ . 1 . 2]" 2
966 1 49 VAL MG2 1 68 VAL MG2 . . 3.000 1.930 1.761 2.129 . 0 0 "[ . 1 . 2]" 2
967 1 24 PHE HA 1 28 LYS HB2 . . 4.980 3.562 2.521 4.264 . 0 0 "[ . 1 . 2]" 2
968 1 51 LYS QG 1 52 SER HA . . 4.890 3.556 3.012 4.186 . 0 0 "[ . 1 . 2]" 2
969 1 52 SER HA 1 61 ALA MB . . 5.030 3.427 2.102 4.227 . 0 0 "[ . 1 . 2]" 2
970 1 48 LYS HG3 1 49 VAL H . . 5.210 5.044 4.791 5.210 0.000 14 0 "[ . 1 . 2]" 2
971 1 48 LYS HG3 1 65 THR HB . . 5.500 5.074 4.548 5.366 . 0 0 "[ . 1 . 2]" 2
972 1 47 PHE HA 1 48 LYS HG3 . . 4.860 4.256 3.928 4.654 . 0 0 "[ . 1 . 2]" 2
973 1 48 LYS QD 1 65 THR HB . . 4.890 3.883 2.496 4.554 . 0 0 "[ . 1 . 2]" 2
974 1 48 LYS QE 1 67 PHE QD . . 5.140 4.795 4.071 5.134 . 0 0 "[ . 1 . 2]" 2
975 1 48 LYS H 1 48 LYS QE . . 5.450 5.027 4.212 5.311 . 0 0 "[ . 1 . 2]" 2
976 1 48 LYS QE 1 66 VAL H . . 5.500 4.992 4.437 5.498 . 0 0 "[ . 1 . 2]" 2
977 1 24 PHE QD 1 30 ARG QG . . 5.070 3.489 3.015 4.415 . 0 0 "[ . 1 . 2]" 2
978 1 24 PHE HZ 1 41 CYS HA . . 5.350 4.175 3.634 4.476 . 0 0 "[ . 1 . 2]" 2
979 1 17 CYS HB3 1 24 PHE HZ . . 5.360 4.316 3.803 4.615 . 0 0 "[ . 1 . 2]" 2
980 1 29 LYS HA 1 30 ARG HB2 . . 5.360 4.357 4.241 4.693 . 0 0 "[ . 1 . 2]" 2
981 1 29 LYS HA 1 30 ARG HB3 . . 5.360 4.882 4.474 5.058 . 0 0 "[ . 1 . 2]" 2
982 1 30 ARG HD2 1 39 SER HB3 . . 5.320 3.466 2.575 4.675 . 0 0 "[ . 1 . 2]" 2
983 1 30 ARG HD3 1 39 SER HB3 . . 5.320 4.527 3.639 5.342 0.022 8 0 "[ . 1 . 2]" 2
984 1 30 ARG H 1 30 ARG HD3 . . 5.500 4.372 4.043 4.758 . 0 0 "[ . 1 . 2]" 2
985 1 32 SER HA 1 33 CYS HA . . 5.070 4.361 4.339 4.380 . 0 0 "[ . 1 . 2]" 2
986 1 34 SER HA 1 66 VAL MG2 . . 5.020 4.762 4.510 5.019 . 0 0 "[ . 1 . 2]" 2
987 1 35 ASN HB3 1 54 MET ME . . 4.770 3.924 3.565 4.462 . 0 0 "[ . 1 . 2]" 2
988 1 35 ASN HB3 1 68 VAL MG1 . . 3.600 2.825 2.317 3.128 . 0 0 "[ . 1 . 2]" 2
989 1 32 SER QB 1 37 GLY HA3 . . 5.280 5.058 4.699 5.303 0.023 6 0 "[ . 1 . 2]" 2
990 1 32 SER QB 1 37 GLY HA2 . . 4.690 3.887 3.608 4.100 . 0 0 "[ . 1 . 2]" 2
991 1 49 VAL MG1 1 50 PRO HG2 . . 5.500 5.034 4.912 5.132 . 0 0 "[ . 1 . 2]" 2
992 1 49 VAL MG1 1 50 PRO HG3 . . 5.500 5.403 5.255 5.498 . 0 0 "[ . 1 . 2]" 2
993 1 49 VAL MG2 1 50 PRO HD3 . . 4.790 4.474 4.374 4.580 . 0 0 "[ . 1 . 2]" 2
994 1 54 MET QG 1 76 LEU MD2 . . 3.620 2.494 1.862 3.538 . 0 0 "[ . 1 . 2]" 2
995 1 45 CYS HG 1 68 VAL HA . . 5.160 3.654 2.840 5.092 . 0 0 "[ . 1 . 2]" 2
996 1 33 CYS HB3 1 68 VAL HA . . 5.090 4.663 4.522 4.768 . 0 0 "[ . 1 . 2]" 2
997 1 68 VAL HA 1 72 CYS HB3 . . 5.500 5.487 5.378 5.520 0.020 6 0 "[ . 1 . 2]" 2
998 1 72 CYS HB3 1 76 LEU HG . . 4.930 2.948 2.527 3.150 . 0 0 "[ . 1 . 2]" 2
999 1 24 PHE QE 1 28 LYS QG . . 5.160 4.061 2.676 5.177 0.017 18 0 "[ . 1 . 2]" 2
1000 1 24 PHE QD 1 28 LYS QD . . 5.180 3.544 2.380 4.718 . 0 0 "[ . 1 . 2]" 2
1001 1 75 THR MG 1 76 LEU HG . . 4.400 4.078 3.880 4.201 . 0 0 "[ . 1 . 2]" 2
1002 1 75 THR MG 1 76 LEU MD2 . . 3.690 3.540 3.306 3.683 . 0 0 "[ . 1 . 2]" 2
1003 1 8 ARG QG 1 9 TYR H . . 5.230 3.611 2.379 4.536 . 0 0 "[ . 1 . 2]" 2
1004 1 9 TYR H 1 9 TYR QB . . 3.610 2.837 2.399 3.214 . 0 0 "[ . 1 . 2]" 2
1005 1 9 TYR QB 1 10 PRO QD . . 3.450 2.475 1.978 3.318 . 0 0 "[ . 1 . 2]" 2
1006 1 9 TYR QD 1 10 PRO QD . . 4.380 3.523 2.353 4.342 . 0 0 "[ . 1 . 2]" 2
1007 1 12 ASN QD 1 13 ASN QB . . 3.460 2.958 1.828 3.451 . 0 0 "[ . 1 . 2]" 2
1008 1 13 ASN QB 1 14 PHE QD . . 5.240 4.799 2.474 5.223 . 0 0 "[ . 1 . 2]" 2
1009 1 14 PHE H 1 14 PHE QB . . 3.680 2.680 2.171 3.211 . 0 0 "[ . 1 . 2]" 2
1010 1 14 PHE QB 1 15 GLY QA . . 4.610 3.793 3.433 4.365 . 0 0 "[ . 1 . 2]" 2
1011 1 15 GLY QA 1 16 ASN HD21 . . 4.060 3.656 3.507 3.754 . 0 0 "[ . 1 . 2]" 2
1012 1 15 GLY QA 1 24 PHE H . . 5.340 5.061 4.480 5.333 . 0 0 "[ . 1 . 2]" 2
1013 1 16 ASN H 1 30 ARG QD . . 5.000 4.836 4.252 5.007 0.007 11 0 "[ . 1 . 2]" 2
1014 1 16 ASN QB 1 21 SER QB . . 4.930 3.543 2.618 4.286 . 0 0 "[ . 1 . 2]" 2
1015 1 18 THR H 1 39 SER QB . . 5.120 4.468 3.867 5.120 . 0 0 "[ . 1 . 2]" 2
1016 1 20 CYS H 1 20 CYS QB . . 3.310 2.888 2.752 2.981 . 0 0 "[ . 1 . 2]" 2
1017 1 21 SER H 1 21 SER QB . . 3.380 3.114 2.784 3.323 . 0 0 "[ . 1 . 2]" 2
1018 1 21 SER QB 1 22 ALA H . . 4.320 3.897 3.776 4.050 . 0 0 "[ . 1 . 2]" 2
1019 1 21 SER QB 1 22 ALA MB . . 5.340 4.691 4.511 5.161 . 0 0 "[ . 1 . 2]" 2
1020 1 23 THR MG 1 30 ARG QD . . 5.340 5.316 5.164 5.361 0.021 20 0 "[ . 1 . 2]" 2
1021 1 24 PHE H 1 24 PHE QB . . 3.060 2.610 2.484 2.762 . 0 0 "[ . 1 . 2]" 2
1022 1 24 PHE H 1 30 ARG QD . . 5.340 4.522 4.258 4.715 . 0 0 "[ . 1 . 2]" 2
1023 1 24 PHE HA 1 28 LYS QB . . 4.350 2.488 1.987 4.028 . 0 0 "[ . 1 . 2]" 2
1024 1 24 PHE QB 1 29 LYS HA . . 4.830 3.515 2.195 4.060 . 0 0 "[ . 1 . 2]" 2
1025 1 24 PHE QB 1 30 ARG H . . 4.210 3.055 2.131 3.601 . 0 0 "[ . 1 . 2]" 2
1026 1 24 PHE QB 1 30 ARG HA . . 5.340 3.685 3.173 4.249 . 0 0 "[ . 1 . 2]" 2
1027 1 24 PHE QB 1 30 ARG QB . . 4.530 2.943 2.220 3.798 . 0 0 "[ . 1 . 2]" 2
1028 1 24 PHE QD 1 28 LYS QB . . 4.910 2.940 1.983 3.597 . 0 0 "[ . 1 . 2]" 2
1029 1 24 PHE QD 1 30 ARG QB . . 5.090 3.250 2.235 4.250 . 0 0 "[ . 1 . 2]" 2
1030 1 24 PHE QD 1 30 ARG QD . . 4.030 2.443 1.962 2.865 . 0 0 "[ . 1 . 2]" 2
1031 1 24 PHE QE 1 30 ARG QB . . 5.040 3.961 3.482 4.800 . 0 0 "[ . 1 . 2]" 2
1032 1 24 PHE QE 1 30 ARG QD . . 4.500 2.290 1.921 2.723 . 0 0 "[ . 1 . 2]" 2
1033 1 24 PHE HZ 1 39 SER QB . . 4.080 3.075 2.677 3.928 . 0 0 "[ . 1 . 2]" 2
1034 1 25 SER QB 1 26 VAL QG . . 4.510 2.987 2.444 4.393 . 0 0 "[ . 1 . 2]" 2
1035 1 25 SER QB 1 27 LEU H . . 4.730 3.406 2.334 4.740 0.010 20 0 "[ . 1 . 2]" 2
1036 1 26 VAL QG 1 27 LEU QB . . 4.340 3.329 2.353 4.291 . 0 0 "[ . 1 . 2]" 2
1037 1 27 LEU H 1 27 LEU QB . . 3.610 2.443 2.130 3.272 . 0 0 "[ . 1 . 2]" 2
1038 1 27 LEU H 1 27 LEU QD . . 4.830 2.777 1.800 3.902 . 0 0 "[ . 1 . 2]" 2
1039 1 27 LEU HA 1 27 LEU QD . . 3.290 2.551 1.944 3.321 0.031 2 0 "[ . 1 . 2]" 2
1040 1 27 LEU QB 1 27 LEU QD . . 2.600 1.876 1.762 2.036 . 0 0 "[ . 1 . 2]" 2
1041 1 27 LEU QB 1 28 LYS H . . 4.200 2.815 1.914 3.992 . 0 0 "[ . 1 . 2]" 2
1042 1 27 LEU QD 1 28 LYS H . . 5.300 3.746 2.454 4.440 . 0 0 "[ . 1 . 2]" 2
1043 1 28 LYS H 1 28 LYS QB . . 3.600 2.512 2.137 3.276 . 0 0 "[ . 1 . 2]" 2
1044 1 28 LYS HA 1 29 LYS QB . . 5.090 4.383 4.237 4.636 . 0 0 "[ . 1 . 2]" 2
1045 1 28 LYS QB 1 28 LYS QE . . 3.670 2.973 2.015 3.649 . 0 0 "[ . 1 . 2]" 2
1046 1 29 LYS H 1 29 LYS QB . . 3.200 2.593 2.225 3.026 . 0 0 "[ . 1 . 2]" 2
1047 1 29 LYS H 1 29 LYS QG . . 3.490 2.475 1.880 3.485 . 0 0 "[ . 1 . 2]" 2
1048 1 29 LYS HA 1 29 LYS QG . . 3.510 2.868 2.326 3.450 . 0 0 "[ . 1 . 2]" 2
1049 1 29 LYS HA 1 30 ARG QB . . 4.570 4.057 4.026 4.164 . 0 0 "[ . 1 . 2]" 2
1050 1 29 LYS QB 1 29 LYS QE . . 4.510 2.879 2.050 3.813 . 0 0 "[ . 1 . 2]" 2
1051 1 29 LYS QB 1 30 ARG H . . 3.400 3.232 2.739 3.420 0.020 18 0 "[ . 1 . 2]" 2
1052 1 29 LYS QE 1 29 LYS QG . . 3.210 2.272 2.104 2.628 . 0 0 "[ . 1 . 2]" 2
1053 1 30 ARG H 1 30 ARG QD . . 4.750 4.166 3.927 4.490 . 0 0 "[ . 1 . 2]" 2
1054 1 30 ARG QB 1 30 ARG QD . . 3.150 2.119 2.013 2.634 . 0 0 "[ . 1 . 2]" 2
1055 1 30 ARG QG 1 39 SER QB . . 3.510 2.330 1.962 3.194 . 0 0 "[ . 1 . 2]" 2
1056 1 30 ARG QD 1 31 ARG H . . 5.340 5.065 4.085 5.369 0.029 5 0 "[ . 1 . 2]" 2
1057 1 30 ARG QD 1 39 SER QB . . 3.860 2.864 2.082 3.496 . 0 0 "[ . 1 . 2]" 2
1058 1 31 ARG H 1 31 ARG QG . . 3.800 3.263 2.956 3.857 0.057 5 0 "[ . 1 . 2]" 2
1059 1 31 ARG H 1 31 ARG QD . . 4.940 3.779 2.739 4.377 . 0 0 "[ . 1 . 2]" 2
1060 1 31 ARG QG 1 32 SER H . . 3.620 3.102 1.871 3.505 . 0 0 "[ . 1 . 2]" 2
1061 1 31 ARG QG 1 42 SER HA . . 4.850 4.082 3.436 4.870 0.020 13 0 "[ . 1 . 2]" 2
1062 1 31 ARG QD 1 42 SER HA . . 3.820 2.116 1.826 3.261 . 0 0 "[ . 1 . 2]" 2
1063 1 31 ARG QD 1 45 CYS H . . 4.390 3.954 3.448 4.402 0.012 12 0 "[ . 1 . 2]" 2
1064 1 31 ARG QD 1 45 CYS HB3 . . 3.740 2.299 1.917 3.029 . 0 0 "[ . 1 . 2]" 2
1065 1 34 SER H 1 34 SER QB . . 3.070 2.343 2.267 2.406 . 0 0 "[ . 1 . 2]" 2
1066 1 34 SER QB 1 35 ASN H . . 3.660 2.833 2.771 2.934 . 0 0 "[ . 1 . 2]" 2
1067 1 34 SER QB 1 54 MET ME . . 4.070 3.230 2.289 3.836 . 0 0 "[ . 1 . 2]" 2
1068 1 34 SER QB 1 66 VAL HB . . 3.560 2.435 2.206 2.626 . 0 0 "[ . 1 . 2]" 2
1069 1 34 SER QB 1 66 VAL MG1 . . 3.850 3.296 2.948 3.604 . 0 0 "[ . 1 . 2]" 2
1070 1 34 SER QB 1 66 VAL MG2 . . 3.110 2.223 1.939 2.502 . 0 0 "[ . 1 . 2]" 2
1071 1 34 SER QB 1 67 PHE H . . 4.530 3.272 2.809 3.625 . 0 0 "[ . 1 . 2]" 2
1072 1 34 SER QB 1 68 VAL MG1 . . 3.250 2.257 1.981 2.459 . 0 0 "[ . 1 . 2]" 2
1073 1 38 ASN HA 1 39 SER QB . . 5.010 4.584 4.285 4.797 . 0 0 "[ . 1 . 2]" 2
1074 1 39 SER H 1 39 SER QB . . 3.230 2.604 2.327 2.890 . 0 0 "[ . 1 . 2]" 2
1075 1 39 SER QB 1 40 PHE H . . 3.620 2.932 2.780 3.110 . 0 0 "[ . 1 . 2]" 2
1076 1 42 SER H 1 42 SER QB . . 3.670 2.420 2.256 2.687 . 0 0 "[ . 1 . 2]" 2
1077 1 43 ARG H 1 43 ARG QG . . 4.060 3.582 2.875 4.066 0.006 4 0 "[ . 1 . 2]" 2
1078 1 43 ARG HA 1 46 SER QB . . 3.930 3.050 2.929 3.230 . 0 0 "[ . 1 . 2]" 2
1079 1 43 ARG QG 1 44 CYS H . . 5.040 4.342 3.896 4.677 . 0 0 "[ . 1 . 2]" 2
1080 1 44 CYS H 1 46 SER QB . . 4.540 4.486 4.402 4.553 0.013 14 0 "[ . 1 . 2]" 2
1081 1 45 CYS H 1 46 SER QB . . 4.210 4.064 3.947 4.225 0.015 6 0 "[ . 1 . 2]" 2
1082 1 46 SER H 1 46 SER QB . . 3.410 2.522 2.400 2.688 . 0 0 "[ . 1 . 2]" 2
1083 1 47 PHE HB2 1 73 ASN QB . . 3.870 2.391 2.126 2.570 . 0 0 "[ . 1 . 2]" 2
1084 1 47 PHE HB3 1 73 ASN QB . . 3.920 2.402 2.162 2.628 . 0 0 "[ . 1 . 2]" 2
1085 1 47 PHE QD 1 73 ASN QB . . 4.200 3.230 3.016 3.501 . 0 0 "[ . 1 . 2]" 2
1086 1 49 VAL MG1 1 50 PRO QG . . 4.790 4.629 4.511 4.715 . 0 0 "[ . 1 . 2]" 2
1087 1 49 VAL MG1 1 73 ASN QB . . 4.720 2.950 2.667 3.547 . 0 0 "[ . 1 . 2]" 2
1088 1 50 PRO QB 1 51 LYS H . . 3.540 3.339 3.039 3.504 . 0 0 "[ . 1 . 2]" 2
1089 1 50 PRO QB 1 52 SER H . . 4.490 3.104 2.454 3.867 . 0 0 "[ . 1 . 2]" 2
1090 1 50 PRO QB 1 52 SER QB . . 5.180 3.581 2.706 4.804 . 0 0 "[ . 1 . 2]" 2
1091 1 50 PRO QB 1 53 SER QB . . 4.310 3.567 2.560 4.319 0.009 6 0 "[ . 1 . 2]" 2
1092 1 50 PRO QB 1 65 THR MG . . 4.250 3.902 3.506 4.178 . 0 0 "[ . 1 . 2]" 2
1093 1 50 PRO QG 1 53 SER QB . . 4.050 3.158 2.051 3.894 . 0 0 "[ . 1 . 2]" 2
1094 1 50 PRO QG 1 65 THR MG . . 5.350 5.061 4.629 5.373 0.023 19 0 "[ . 1 . 2]" 2
1095 1 51 LYS H 1 51 LYS QB . . 3.250 2.652 2.102 2.807 . 0 0 "[ . 1 . 2]" 2
1096 1 51 LYS HA 1 51 LYS QE . . 5.220 4.521 4.018 4.906 . 0 0 "[ . 1 . 2]" 2
1097 1 51 LYS QB 1 51 LYS QD . . 3.310 2.172 2.061 2.364 . 0 0 "[ . 1 . 2]" 2
1098 1 51 LYS QB 1 54 MET ME . . 4.130 2.941 2.415 3.663 . 0 0 "[ . 1 . 2]" 2
1099 1 51 LYS QB 1 61 ALA MB . . 4.000 3.616 3.120 4.002 0.002 4 0 "[ . 1 . 2]" 2
1100 1 51 LYS QB 1 66 VAL MG1 . . 3.830 1.970 1.873 2.151 . 0 0 "[ . 1 . 2]" 2
1101 1 51 LYS QB 1 66 VAL MG2 . . 4.270 2.211 1.966 2.521 . 0 0 "[ . 1 . 2]" 2
1102 1 51 LYS QE 1 51 LYS QG . . 3.040 2.227 2.068 2.543 . 0 0 "[ . 1 . 2]" 2
1103 1 51 LYS QG 1 52 SER QB . . 4.880 3.485 3.017 4.002 . 0 0 "[ . 1 . 2]" 2
1104 1 51 LYS QG 1 64 GLU QG . . 5.340 3.227 2.516 4.388 . 0 0 "[ . 1 . 2]" 2
1105 1 51 LYS QD 1 64 GLU QB . . 3.550 2.387 1.838 3.055 . 0 0 "[ . 1 . 2]" 2
1106 1 51 LYS QD 1 64 GLU QG . . 4.220 2.796 1.847 3.763 . 0 0 "[ . 1 . 2]" 2
1107 1 51 LYS QE 1 61 ALA MB . . 3.870 3.338 2.118 3.876 0.006 20 0 "[ . 1 . 2]" 2
1108 1 51 LYS QE 1 64 GLU QB . . 3.900 2.975 2.045 3.780 . 0 0 "[ . 1 . 2]" 2
1109 1 51 LYS QE 1 66 VAL MG1 . . 3.380 2.138 1.715 3.395 0.015 13 0 "[ . 1 . 2]" 2
1110 1 52 SER H 1 52 SER QB . . 3.690 2.402 2.210 2.598 . 0 0 "[ . 1 . 2]" 2
1111 1 52 SER QB 1 57 THR MG . . 5.340 4.241 2.420 5.311 . 0 0 "[ . 1 . 2]" 2
1112 1 52 SER QB 1 61 ALA MB . . 4.280 3.503 2.525 4.277 . 0 0 "[ . 1 . 2]" 2
1113 1 52 SER QB 1 62 GLN HA . . 4.550 2.377 1.992 3.004 . 0 0 "[ . 1 . 2]" 2
1114 1 52 SER QB 1 62 GLN QB . . 4.430 4.050 2.919 4.464 0.034 16 0 "[ . 1 . 2]" 2
1115 1 52 SER QB 1 62 GLN QG . . 4.590 3.996 3.307 4.583 . 0 0 "[ . 1 . 2]" 2
1116 1 54 MET QB 1 55 GLY QA . . 4.950 3.849 3.524 4.407 . 0 0 "[ . 1 . 2]" 2
1117 1 58 ALA H 1 59 PRO QD . . 4.610 4.319 4.135 4.368 . 0 0 "[ . 1 . 2]" 2
1118 1 58 ALA HA 1 59 PRO QG . . 5.100 4.031 3.917 4.166 . 0 0 "[ . 1 . 2]" 2
1119 1 58 ALA HA 1 59 PRO QD . . 2.680 2.118 2.013 2.244 . 0 0 "[ . 1 . 2]" 2
1120 1 58 ALA MB 1 59 PRO QD . . 3.010 2.093 1.875 2.399 . 0 0 "[ . 1 . 2]" 2
1121 1 58 ALA MB 1 60 GLU QB . . 4.260 3.112 2.563 4.025 . 0 0 "[ . 1 . 2]" 2
1122 1 59 PRO HA 1 62 GLN QE . . 4.150 2.924 1.985 3.902 . 0 0 "[ . 1 . 2]" 2
1123 1 59 PRO QB 1 60 GLU H . . 3.880 3.632 3.386 3.731 . 0 0 "[ . 1 . 2]" 2
1124 1 59 PRO QD 1 60 GLU H . . 3.860 2.848 2.641 2.963 . 0 0 "[ . 1 . 2]" 2
1125 1 60 GLU H 1 60 GLU QB . . 3.440 2.488 2.238 3.031 . 0 0 "[ . 1 . 2]" 2
1126 1 60 GLU QB 1 61 ALA H . . 3.610 2.736 2.187 3.622 0.012 2 0 "[ . 1 . 2]" 2
1127 1 61 ALA HA 1 64 GLU QB . . 4.370 3.143 1.960 3.643 . 0 0 "[ . 1 . 2]" 2
1128 1 61 ALA HA 1 64 GLU QG . . 4.670 4.239 3.098 4.692 0.022 13 0 "[ . 1 . 2]" 2
1129 1 61 ALA MB 1 64 GLU QG . . 5.340 4.014 2.626 5.115 . 0 0 "[ . 1 . 2]" 2
1130 1 62 GLN H 1 62 GLN QB . . 3.120 2.610 2.339 3.135 0.015 17 0 "[ . 1 . 2]" 2
1131 1 63 ARG H 1 63 ARG QB . . 3.590 2.775 2.182 3.318 . 0 0 "[ . 1 . 2]" 2
1132 1 63 ARG QB 1 64 GLU H . . 4.460 3.724 2.768 4.046 . 0 0 "[ . 1 . 2]" 2
1133 1 64 GLU H 1 64 GLU QB . . 3.230 2.336 2.127 2.499 . 0 0 "[ . 1 . 2]" 2
1134 1 64 GLU HA 1 64 GLU QG . . 3.490 2.748 2.285 3.054 . 0 0 "[ . 1 . 2]" 2
1135 1 64 GLU QB 1 65 THR H . . 4.280 3.263 2.729 3.704 . 0 0 "[ . 1 . 2]" 2
1136 1 64 GLU QB 1 66 VAL MG1 . . 4.540 3.670 3.323 4.213 . 0 0 "[ . 1 . 2]" 2
1137 1 64 GLU QG 1 65 THR H . . 4.000 2.313 1.886 3.364 . 0 0 "[ . 1 . 2]" 2
1138 1 64 GLU QG 1 66 VAL MG1 . . 4.400 3.163 2.358 4.406 0.006 10 0 "[ . 1 . 2]" 2
1139 1 68 VAL MG2 1 73 ASN QB . . 3.150 1.908 1.866 1.982 . 0 0 "[ . 1 . 2]" 2
1140 1 70 ALA H 1 73 ASN QB . . 4.990 4.239 4.103 4.353 . 0 0 "[ . 1 . 2]" 2
1141 1 70 ALA HA 1 73 ASN QB . . 3.260 2.331 2.219 2.443 . 0 0 "[ . 1 . 2]" 2
1142 1 70 ALA MB 1 74 GLN QG . . 4.830 3.375 3.090 4.271 . 0 0 "[ . 1 . 2]" 2
1143 1 71 SER HA 1 74 GLN QG . . 4.500 4.110 3.681 4.445 . 0 0 "[ . 1 . 2]" 2
1144 1 72 CYS H 1 73 ASN QB . . 5.170 4.216 4.144 4.289 . 0 0 "[ . 1 . 2]" 2
1145 1 72 CYS HB2 1 73 ASN QB . . 4.570 4.067 4.020 4.127 . 0 0 "[ . 1 . 2]" 2
1146 1 73 ASN H 1 73 ASN QB . . 2.790 2.285 2.274 2.298 . 0 0 "[ . 1 . 2]" 2
1147 1 73 ASN QB 1 73 ASN HD21 . . 3.020 2.217 2.115 2.321 . 0 0 "[ . 1 . 2]" 2
1148 1 73 ASN QB 1 73 ASN HD22 . . 3.330 3.292 3.251 3.329 . 0 0 "[ . 1 . 2]" 2
1149 1 74 GLN H 1 74 GLN QG . . 3.450 2.684 2.348 3.461 0.011 15 0 "[ . 1 . 2]" 2
1150 1 74 GLN HA 1 74 GLN QG . . 3.350 2.419 2.126 2.749 . 0 0 "[ . 1 . 2]" 2
1151 1 74 GLN QG 1 75 THR H . . 5.060 4.236 4.092 4.486 . 0 0 "[ . 1 . 2]" 2
1152 1 75 THR HA 1 78 LYS QG . . 4.430 3.621 2.234 4.403 . 0 0 "[ . 1 . 2]" 2
1153 1 78 LYS H 1 78 LYS QB . . 3.360 2.447 2.195 2.834 . 0 0 "[ . 1 . 2]" 2
1154 1 78 LYS H 1 78 LYS QG . . 4.470 3.241 1.932 4.170 . 0 0 "[ . 1 . 2]" 2
1155 1 78 LYS HA 1 78 LYS QG . . 3.510 2.685 2.168 3.432 . 0 0 "[ . 1 . 2]" 2
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