NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503457 |
1x64   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x64
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 348
_Distance_constraint_stats_list.Viol_total 107.762
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0155
_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 28 CYS 1.546 0.044 18 0 "[ . 1 . 2]"
1 31 CYS 0.917 0.051 9 0 "[ . 1 . 2]"
1 48 HIS 1.166 0.034 11 0 "[ . 1 . 2]"
1 51 CYS 0.423 0.022 3 0 "[ . 1 . 2]"
1 54 CYS 0.588 0.031 8 0 "[ . 1 . 2]"
1 57 CYS 0.858 0.037 20 0 "[ . 1 . 2]"
1 75 CYS 0.943 0.036 15 0 "[ . 1 . 2]"
1 78 HIS 0.660 0.031 8 0 "[ . 1 . 2]"
2 1 ZN 2.184 0.051 9 0 "[ . 1 . 2]"
3 1 ZN 1.491 0.037 20 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 28 CYS SG 2 1 ZN ZN . 2.250 2.350 2.380 2.361 2.394 0.044 18 0 "[ . 1 . 2]" 1
2 1 31 CYS SG 2 1 ZN ZN . 2.250 2.350 2.267 2.221 2.316 0.029 9 0 "[ . 1 . 2]" 1
3 1 51 CYS SG 2 1 ZN ZN . 2.250 2.350 2.262 2.243 2.292 0.007 13 0 "[ . 1 . 2]" 1
4 1 48 HIS ND1 2 1 ZN ZN . . 2.050 2.073 2.055 2.084 0.034 11 0 "[ . 1 . 2]" 1
5 1 28 CYS CB 2 1 ZN ZN . 3.220 3.520 3.194 3.184 3.207 0.036 20 0 "[ . 1 . 2]" 1
6 1 31 CYS CB 2 1 ZN ZN . 3.220 3.520 3.544 3.530 3.571 0.051 9 0 "[ . 1 . 2]" 1
7 1 51 CYS CB 2 1 ZN ZN . 3.220 3.520 3.486 3.446 3.524 0.004 16 0 "[ . 1 . 2]" 1
8 1 28 CYS SG 1 31 CYS SG . 3.650 3.850 3.803 3.697 3.865 0.015 19 0 "[ . 1 . 2]" 1
9 1 28 CYS SG 1 51 CYS SG . 3.650 3.850 3.657 3.634 3.737 0.016 17 0 "[ . 1 . 2]" 1
10 1 28 CYS SG 1 48 HIS ND1 . 3.500 3.700 3.486 3.472 3.501 0.028 18 0 "[ . 1 . 2]" 1
11 1 31 CYS SG 1 51 CYS SG . 3.650 3.850 3.814 3.686 3.866 0.016 20 0 "[ . 1 . 2]" 1
12 1 31 CYS SG 1 48 HIS ND1 . 3.500 3.700 3.490 3.471 3.511 0.029 20 0 "[ . 1 . 2]" 1
13 1 48 HIS ND1 1 51 CYS SG . 3.500 3.700 3.710 3.679 3.722 0.022 3 0 "[ . 1 . 2]" 1
14 1 54 CYS SG 3 1 ZN ZN . 2.250 2.350 2.361 2.354 2.369 0.019 20 0 "[ . 1 . 2]" 1
15 1 57 CYS SG 3 1 ZN ZN . 2.250 2.350 2.248 2.235 2.261 0.015 2 0 "[ . 1 . 2]" 1
16 1 75 CYS SG 3 1 ZN ZN . 2.250 2.350 2.322 2.297 2.353 0.003 9 0 "[ . 1 . 2]" 1
17 1 78 HIS ND1 3 1 ZN ZN . . 2.050 2.067 2.056 2.078 0.028 5 0 "[ . 1 . 2]" 1
18 1 54 CYS CB 3 1 ZN ZN . 3.220 3.520 3.265 3.244 3.290 . 0 0 "[ . 1 . 2]" 1
19 1 57 CYS CB 3 1 ZN ZN . 3.220 3.520 3.541 3.529 3.557 0.037 20 0 "[ . 1 . 2]" 1
20 1 75 CYS CB 3 1 ZN ZN . 3.220 3.520 3.541 3.534 3.556 0.036 15 0 "[ . 1 . 2]" 1
21 1 54 CYS SG 1 57 CYS SG . 3.650 3.850 3.647 3.630 3.699 0.020 16 0 "[ . 1 . 2]" 1
22 1 54 CYS SG 1 75 CYS SG . 3.650 3.850 3.854 3.835 3.875 0.025 15 0 "[ . 1 . 2]" 1
23 1 54 CYS SG 1 78 HIS ND1 . 3.500 3.700 3.697 3.655 3.731 0.031 8 0 "[ . 1 . 2]" 1
24 1 57 CYS SG 1 75 CYS SG . 3.650 3.850 3.644 3.627 3.706 0.023 15 0 "[ . 1 . 2]" 1
25 1 57 CYS SG 1 78 HIS ND1 . 3.500 3.700 3.681 3.596 3.707 0.007 12 0 "[ . 1 . 2]" 1
26 1 75 CYS SG 1 78 HIS ND1 . 3.500 3.700 3.496 3.472 3.589 0.028 5 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 777.425
_Distance_constraint_stats_list.Viol_max 1.111
_Distance_constraint_stats_list.Viol_rms 0.2972
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6479
_Distance_constraint_stats_list.Viol_average_violations_only 0.6479
_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 33 SER 6.484 0.402 19 0 "[ . 1 . 2]"
1 34 GLY 6.484 0.402 19 0 "[ . 1 . 2]"
1 36 VAL 20.592 1.111 18 20 [***********-*****+**]
1 37 GLY 20.592 1.111 18 20 [***********-*****+**]
1 64 LYS 11.796 0.623 16 20 [***********-***+****]
1 65 GLY 11.796 0.623 16 20 [***********-***+****]
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 33 SER H 1 34 GLY H . . 4.000 4.324 4.247 4.402 0.402 19 0 "[ . 1 . 2]" 2
2 1 64 LYS H 1 65 GLY H . . 4.000 4.590 4.551 4.623 0.623 16 20 [***********-***+****] 2
3 1 36 VAL H 1 37 GLY H . . 3.000 4.030 3.913 4.111 1.111 18 20 [***********-*****+**] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1652
_Distance_constraint_stats_list.Viol_count 1385
_Distance_constraint_stats_list.Viol_total 847.817
_Distance_constraint_stats_list.Viol_max 0.342
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0306
_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 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.136 0.136 14 0 "[ . 1 . 2]"
1 14 LYS 0.035 0.035 20 0 "[ . 1 . 2]"
1 15 VAL 0.035 0.035 20 0 "[ . 1 . 2]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.437 0.342 2 0 "[ . 1 . 2]"
1 25 MET 0.600 0.342 2 0 "[ . 1 . 2]"
1 26 PRO 0.840 0.116 3 0 "[ . 1 . 2]"
1 27 LEU 3.532 0.120 19 0 "[ . 1 . 2]"
1 28 CYS 2.699 0.128 19 0 "[ . 1 . 2]"
1 29 ASP 0.253 0.049 20 0 "[ . 1 . 2]"
1 30 LYS 2.894 0.107 1 0 "[ . 1 . 2]"
1 31 CYS 2.032 0.107 1 0 "[ . 1 . 2]"
1 32 GLY 3.427 0.120 19 0 "[ . 1 . 2]"
1 33 SER 0.560 0.174 18 0 "[ . 1 . 2]"
1 34 GLY 1.295 0.110 17 0 "[ . 1 . 2]"
1 35 ILE 5.109 0.119 10 0 "[ . 1 . 2]"
1 36 VAL 0.106 0.063 3 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.156 0.033 1 0 "[ . 1 . 2]"
1 39 VAL 0.844 0.087 11 0 "[ . 1 . 2]"
1 40 VAL 0.891 0.102 6 0 "[ . 1 . 2]"
1 41 LYS 1.155 0.297 11 0 "[ . 1 . 2]"
1 42 ALA 2.431 0.085 19 0 "[ . 1 . 2]"
1 43 ARG 0.834 0.206 7 0 "[ . 1 . 2]"
1 44 ASP 0.065 0.033 7 0 "[ . 1 . 2]"
1 45 LYS 3.097 0.206 7 0 "[ . 1 . 2]"
1 46 TYR 3.621 0.297 11 0 "[ . 1 . 2]"
1 47 ARG 3.768 0.128 19 0 "[ . 1 . 2]"
1 48 HIS 2.735 0.174 18 0 "[ . 1 . 2]"
1 49 PRO 0.880 0.087 11 0 "[ . 1 . 2]"
1 50 GLU 0.221 0.074 14 0 "[ . 1 . 2]"
1 51 CYS 1.342 0.064 20 0 "[ . 1 . 2]"
1 52 PHE 2.334 0.102 9 0 "[ . 1 . 2]"
1 53 VAL 2.107 0.103 10 0 "[ . 1 . 2]"
1 54 CYS 0.497 0.044 1 0 "[ . 1 . 2]"
1 55 ALA 0.903 0.120 13 0 "[ . 1 . 2]"
1 56 ASP 1.527 0.141 8 0 "[ . 1 . 2]"
1 57 CYS 0.411 0.049 5 0 "[ . 1 . 2]"
1 58 ASN 1.530 0.103 10 0 "[ . 1 . 2]"
1 59 LEU 0.468 0.079 1 0 "[ . 1 . 2]"
1 60 ASN 1.415 0.145 14 0 "[ . 1 . 2]"
1 61 LEU 1.400 0.078 5 0 "[ . 1 . 2]"
1 62 LYS 0.538 0.102 6 0 "[ . 1 . 2]"
1 63 GLN 0.278 0.064 16 0 "[ . 1 . 2]"
1 64 LYS 0.378 0.052 16 0 "[ . 1 . 2]"
1 65 GLY 0.178 0.052 16 0 "[ . 1 . 2]"
1 66 TYR 0.906 0.066 16 0 "[ . 1 . 2]"
1 67 PHE 0.544 0.076 16 0 "[ . 1 . 2]"
1 68 PHE 2.057 0.099 7 0 "[ . 1 . 2]"
1 69 VAL 2.002 0.122 19 0 "[ . 1 . 2]"
1 70 GLU 0.190 0.065 19 0 "[ . 1 . 2]"
1 71 GLY 0.164 0.042 19 0 "[ . 1 . 2]"
1 72 GLU 1.019 0.084 14 0 "[ . 1 . 2]"
1 73 LEU 2.939 0.122 19 0 "[ . 1 . 2]"
1 74 TYR 1.214 0.068 19 0 "[ . 1 . 2]"
1 75 CYS 1.253 0.078 5 0 "[ . 1 . 2]"
1 76 GLU 0.208 0.051 4 0 "[ . 1 . 2]"
1 77 THR 1.192 0.111 20 0 "[ . 1 . 2]"
1 78 HIS 1.180 0.141 8 0 "[ . 1 . 2]"
1 79 ALA 2.396 0.111 20 0 "[ . 1 . 2]"
1 80 ARG 2.065 0.099 20 0 "[ . 1 . 2]"
1 81 ALA 0.467 0.045 4 0 "[ . 1 . 2]"
1 82 ARG 0.739 0.126 14 0 "[ . 1 . 2]"
1 83 THR 1.251 0.154 4 0 "[ . 1 . 2]"
1 84 SER 0.190 0.154 4 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PRO 0.062 0.062 14 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 ARG HA 1 25 MET H . . 3.230 2.851 2.143 3.572 0.342 2 0 "[ . 1 . 2]" 3
2 1 25 MET H 1 26 PRO QD . . 4.890 4.293 4.097 4.379 . 0 0 "[ . 1 . 2]" 3
3 1 25 MET H 1 25 MET HG2 . . 4.540 3.660 3.390 4.064 . 0 0 "[ . 1 . 2]" 3
4 1 25 MET H 1 25 MET HB2 . . 4.130 3.871 3.551 4.067 . 0 0 "[ . 1 . 2]" 3
5 1 25 MET H 1 25 MET HB3 . . 4.130 2.966 2.294 3.350 . 0 0 "[ . 1 . 2]" 3
6 1 78 HIS H 1 78 HIS HB3 . . 3.700 3.558 3.546 3.566 . 0 0 "[ . 1 . 2]" 3
7 1 77 THR HB 1 78 HIS H . . 3.120 1.979 1.932 2.004 . 0 0 "[ . 1 . 2]" 3
8 1 75 CYS HB3 1 78 HIS H . . 4.910 4.675 4.649 4.719 . 0 0 "[ . 1 . 2]" 3
9 1 78 HIS H 1 81 ALA MB . . 4.970 4.856 4.719 4.936 . 0 0 "[ . 1 . 2]" 3
10 1 75 CYS HB2 1 78 HIS H . . 4.220 4.171 4.135 4.230 0.010 13 0 "[ . 1 . 2]" 3
11 1 78 HIS H 1 78 HIS HB2 . . 3.280 2.316 2.283 2.339 . 0 0 "[ . 1 . 2]" 3
12 1 68 PHE H 1 68 PHE HB3 . . 3.730 3.656 3.608 3.739 0.009 20 0 "[ . 1 . 2]" 3
13 1 67 PHE HB3 1 68 PHE H . . 3.150 2.457 2.124 2.682 . 0 0 "[ . 1 . 2]" 3
14 1 67 PHE HB2 1 68 PHE H . . 4.130 3.838 3.605 3.992 . 0 0 "[ . 1 . 2]" 3
15 1 68 PHE H 1 79 ALA MB . . 4.550 4.182 3.893 4.364 . 0 0 "[ . 1 . 2]" 3
16 1 68 PHE H 1 69 VAL MG2 . . 4.330 3.285 2.910 3.494 . 0 0 "[ . 1 . 2]" 3
17 1 58 ASN H 1 59 LEU H . . 3.420 2.691 2.624 2.755 . 0 0 "[ . 1 . 2]" 3
18 1 54 CYS HB3 1 59 LEU H . . 3.110 1.877 1.809 1.952 . 0 0 "[ . 1 . 2]" 3
19 1 58 ASN HB3 1 59 LEU H . . 4.360 4.243 4.204 4.268 . 0 0 "[ . 1 . 2]" 3
20 1 54 CYS HB2 1 59 LEU H . . 3.610 2.336 2.161 2.503 . 0 0 "[ . 1 . 2]" 3
21 1 58 ASN HB2 1 59 LEU H . . 4.730 4.576 4.539 4.599 . 0 0 "[ . 1 . 2]" 3
22 1 59 LEU H 1 59 LEU HB2 . . 3.000 2.580 2.310 2.863 . 0 0 "[ . 1 . 2]" 3
23 1 59 LEU H 1 59 LEU HG . . 4.560 4.366 4.255 4.444 . 0 0 "[ . 1 . 2]" 3
24 1 59 LEU H 1 59 LEU HB3 . . 3.000 2.636 2.368 2.947 . 0 0 "[ . 1 . 2]" 3
25 1 59 LEU H 1 59 LEU MD2 . . 4.440 4.244 4.184 4.283 . 0 0 "[ . 1 . 2]" 3
26 1 71 GLY H 1 72 GLU H . . 3.930 2.869 2.603 3.092 . 0 0 "[ . 1 . 2]" 3
27 1 69 VAL HB 1 72 GLU H . . 5.170 4.587 4.162 4.832 . 0 0 "[ . 1 . 2]" 3
28 1 72 GLU H 1 72 GLU HG3 . . 4.750 4.526 4.416 4.659 . 0 0 "[ . 1 . 2]" 3
29 1 72 GLU H 1 72 GLU HB2 . . 3.570 2.785 2.399 3.280 . 0 0 "[ . 1 . 2]" 3
30 1 72 GLU H 1 72 GLU HB3 . . 3.570 2.728 2.569 2.982 . 0 0 "[ . 1 . 2]" 3
31 1 69 VAL MG1 1 72 GLU H . . 5.040 4.746 4.566 4.892 . 0 0 "[ . 1 . 2]" 3
32 1 43 ARG H 1 43 ARG HG2 . . 4.690 4.486 4.106 4.688 . 0 0 "[ . 1 . 2]" 3
33 1 43 ARG H 1 43 ARG HG3 . . 4.690 3.807 2.848 4.404 . 0 0 "[ . 1 . 2]" 3
34 1 14 LYS HA 1 15 VAL H . . 3.440 2.300 2.142 3.475 0.035 20 0 "[ . 1 . 2]" 3
35 1 15 VAL H 1 15 VAL HB . . 4.100 3.159 2.446 3.907 . 0 0 "[ . 1 . 2]" 3
36 1 68 PHE QD 1 72 GLU H . . 4.710 4.206 3.380 4.729 0.019 8 0 "[ . 1 . 2]" 3
37 1 54 CYS H 1 58 ASN HA . . 4.080 2.648 2.562 2.738 . 0 0 "[ . 1 . 2]" 3
38 1 54 CYS H 1 54 CYS HB3 . . 3.180 2.639 2.582 2.671 . 0 0 "[ . 1 . 2]" 3
39 1 54 CYS H 1 54 CYS HB2 . . 3.250 2.440 2.399 2.516 . 0 0 "[ . 1 . 2]" 3
40 1 54 CYS H 1 59 LEU HB2 . . 4.870 4.343 3.953 4.695 . 0 0 "[ . 1 . 2]" 3
41 1 53 VAL HB 1 54 CYS H . . 3.250 2.182 2.093 2.262 . 0 0 "[ . 1 . 2]" 3
42 1 54 CYS H 1 61 LEU HG . . 3.780 2.974 2.788 3.212 . 0 0 "[ . 1 . 2]" 3
43 1 53 VAL MG1 1 54 CYS H . . 3.740 3.663 3.603 3.699 . 0 0 "[ . 1 . 2]" 3
44 1 27 LEU H 1 46 TYR QD . . 5.430 5.428 5.229 5.501 0.071 10 0 "[ . 1 . 2]" 3
45 1 26 PRO HG2 1 27 LEU H . . 4.910 4.782 4.665 4.840 . 0 0 "[ . 1 . 2]" 3
46 1 26 PRO HB2 1 27 LEU H . . 3.510 3.161 2.961 3.266 . 0 0 "[ . 1 . 2]" 3
47 1 27 LEU H 1 27 LEU HB2 . . 2.870 2.451 2.405 2.537 . 0 0 "[ . 1 . 2]" 3
48 1 26 PRO HB3 1 27 LEU H . . 3.860 3.762 3.643 3.827 . 0 0 "[ . 1 . 2]" 3
49 1 27 LEU H 1 27 LEU MD1 . . 4.510 4.232 4.199 4.299 . 0 0 "[ . 1 . 2]" 3
50 1 27 LEU H 1 35 ILE MD . . 4.690 3.780 3.637 4.020 . 0 0 "[ . 1 . 2]" 3
51 1 29 ASP HA 1 30 LYS H . . 3.540 3.255 3.229 3.477 . 0 0 "[ . 1 . 2]" 3
52 1 30 LYS H 1 47 ARG HD3 . . 4.000 2.975 2.729 3.155 . 0 0 "[ . 1 . 2]" 3
53 1 28 CYS HB3 1 30 LYS H . . 4.360 3.430 3.362 4.136 . 0 0 "[ . 1 . 2]" 3
54 1 30 LYS H 1 51 CYS HB3 . . 4.580 4.436 3.726 4.567 . 0 0 "[ . 1 . 2]" 3
55 1 29 ASP HB2 1 30 LYS H . . 4.470 3.983 3.667 4.275 . 0 0 "[ . 1 . 2]" 3
56 1 30 LYS H 1 47 ARG HD2 . . 4.330 4.070 3.443 4.294 . 0 0 "[ . 1 . 2]" 3
57 1 29 ASP HB3 1 30 LYS H . . 4.220 3.758 2.909 4.067 . 0 0 "[ . 1 . 2]" 3
58 1 30 LYS H 1 30 LYS HB3 . . 3.190 2.517 2.457 2.762 . 0 0 "[ . 1 . 2]" 3
59 1 30 LYS H 1 30 LYS HB2 . . 3.180 2.793 2.435 2.877 . 0 0 "[ . 1 . 2]" 3
60 1 52 PHE HB3 1 62 LYS H . . 4.980 3.362 2.900 3.815 . 0 0 "[ . 1 . 2]" 3
61 1 60 ASN QB 1 62 LYS H . . 4.590 3.363 2.724 4.230 . 0 0 "[ . 1 . 2]" 3
62 1 61 LEU MD2 1 62 LYS H . . 4.870 4.670 4.599 4.735 . 0 0 "[ . 1 . 2]" 3
63 1 61 LEU HB3 1 62 LYS H . . 4.520 4.262 3.964 4.473 . 0 0 "[ . 1 . 2]" 3
64 1 11 PRO HA 1 12 VAL H . . 2.920 2.373 2.175 2.567 . 0 0 "[ . 1 . 2]" 3
65 1 12 VAL H 1 12 VAL MG1 . . 4.100 2.731 1.878 3.913 . 0 0 "[ . 1 . 2]" 3
66 1 46 TYR H 1 46 TYR QD . . 3.340 2.373 2.297 2.481 . 0 0 "[ . 1 . 2]" 3
67 1 46 TYR H 1 46 TYR QE . . 4.760 4.653 4.569 4.744 . 0 0 "[ . 1 . 2]" 3
68 1 45 LYS HA 1 46 TYR H . . 2.650 2.443 2.415 2.512 . 0 0 "[ . 1 . 2]" 3
69 1 29 ASP HB2 1 46 TYR H . . 4.330 4.051 3.654 4.318 . 0 0 "[ . 1 . 2]" 3
70 1 46 TYR H 1 46 TYR HB2 . . 3.040 2.704 2.619 2.746 . 0 0 "[ . 1 . 2]" 3
71 1 45 LYS HB3 1 46 TYR H . . 3.190 2.395 2.230 2.459 . 0 0 "[ . 1 . 2]" 3
72 1 45 LYS HD2 1 46 TYR H . . 4.150 3.752 3.683 3.885 . 0 0 "[ . 1 . 2]" 3
73 1 45 LYS HG2 1 46 TYR H . . 4.170 3.517 3.439 3.595 . 0 0 "[ . 1 . 2]" 3
74 1 35 ILE MD 1 46 TYR H . . 5.290 5.004 4.920 5.081 . 0 0 "[ . 1 . 2]" 3
75 1 62 LYS H 1 63 GLN H . . 4.380 3.120 2.881 3.323 . 0 0 "[ . 1 . 2]" 3
76 1 52 PHE QD 1 62 LYS H . . 3.850 2.549 2.200 2.954 . 0 0 "[ . 1 . 2]" 3
77 1 52 PHE QE 1 62 LYS H . . 4.500 4.150 3.949 4.399 . 0 0 "[ . 1 . 2]" 3
78 1 62 LYS H 1 62 LYS HB2 . . 3.050 2.694 2.602 2.844 . 0 0 "[ . 1 . 2]" 3
79 1 62 LYS H 1 62 LYS HB3 . . 3.190 2.409 2.252 2.532 . 0 0 "[ . 1 . 2]" 3
80 1 61 LEU HB2 1 62 LYS H . . 4.560 3.407 2.924 3.836 . 0 0 "[ . 1 . 2]" 3
81 1 60 ASN HA 1 62 LYS H . . 4.380 3.416 3.325 3.605 . 0 0 "[ . 1 . 2]" 3
82 1 79 ALA H 1 81 ALA H . . 4.300 4.293 4.259 4.318 0.018 18 0 "[ . 1 . 2]" 3
83 1 79 ALA HA 1 81 ALA H . . 4.330 4.292 4.179 4.362 0.032 14 0 "[ . 1 . 2]" 3
84 1 80 ARG QB 1 81 ALA H . . 3.260 2.656 2.620 2.731 . 0 0 "[ . 1 . 2]" 3
85 1 81 ALA H 1 81 ALA MB . . 2.700 2.108 2.028 2.239 . 0 0 "[ . 1 . 2]" 3
86 1 81 ALA H 1 83 THR MG . . 5.230 4.470 4.157 4.781 . 0 0 "[ . 1 . 2]" 3
87 1 77 THR MG 1 81 ALA H . . 4.850 4.676 4.583 4.850 . 0 0 "[ . 1 . 2]" 3
88 1 67 PHE QD 1 76 GLU H . . 4.450 4.109 3.783 4.350 . 0 0 "[ . 1 . 2]" 3
89 1 67 PHE QE 1 76 GLU H . . 4.840 4.333 4.125 4.526 . 0 0 "[ . 1 . 2]" 3
90 1 75 CYS HB2 1 76 GLU H . . 3.280 2.510 2.244 2.737 . 0 0 "[ . 1 . 2]" 3
91 1 76 GLU H 1 76 GLU HB2 . . 3.240 2.258 2.176 2.391 . 0 0 "[ . 1 . 2]" 3
92 1 76 GLU H 1 76 GLU HB3 . . 3.260 2.861 2.695 3.033 . 0 0 "[ . 1 . 2]" 3
93 1 58 ASN H 1 58 ASN HA . . 2.780 2.275 2.273 2.277 . 0 0 "[ . 1 . 2]" 3
94 1 54 CYS HB3 1 58 ASN H . . 3.610 1.813 1.769 1.869 . 0 0 "[ . 1 . 2]" 3
95 1 54 CYS HB2 1 58 ASN H . . 4.190 3.566 3.519 3.614 . 0 0 "[ . 1 . 2]" 3
96 1 44 ASP H 1 45 LYS H . . 3.090 1.868 1.836 1.888 . 0 0 "[ . 1 . 2]" 3
97 1 43 ARG HA 1 45 LYS H . . 4.980 4.988 4.838 5.058 0.078 2 0 "[ . 1 . 2]" 3
98 1 45 LYS H 1 45 LYS QE . . 4.830 4.227 4.066 4.426 . 0 0 "[ . 1 . 2]" 3
99 1 44 ASP HB2 1 45 LYS H . . 4.540 3.623 2.962 4.293 . 0 0 "[ . 1 . 2]" 3
100 1 44 ASP HB3 1 45 LYS H . . 4.540 3.775 3.012 4.264 . 0 0 "[ . 1 . 2]" 3
101 1 45 LYS H 1 45 LYS HB2 . . 3.140 2.221 2.207 2.245 . 0 0 "[ . 1 . 2]" 3
102 1 45 LYS H 1 45 LYS HB3 . . 3.640 3.506 3.496 3.522 . 0 0 "[ . 1 . 2]" 3
103 1 43 ARG HB2 1 45 LYS H . . 4.580 4.075 3.380 4.786 0.206 7 0 "[ . 1 . 2]" 3
104 1 43 ARG HB3 1 45 LYS H . . 4.580 3.808 3.223 4.463 . 0 0 "[ . 1 . 2]" 3
105 1 45 LYS H 1 45 LYS HG2 . . 4.060 3.836 3.754 3.945 . 0 0 "[ . 1 . 2]" 3
106 1 45 LYS H 1 45 LYS HG3 . . 3.700 3.194 3.139 3.245 . 0 0 "[ . 1 . 2]" 3
107 1 42 ALA MB 1 45 LYS H . . 4.450 4.271 4.192 4.326 . 0 0 "[ . 1 . 2]" 3
108 1 30 LYS HB2 1 48 HIS H . . 4.950 4.699 4.131 4.855 . 0 0 "[ . 1 . 2]" 3
109 1 35 ILE HG12 1 48 HIS H . . 4.480 4.334 4.246 4.396 . 0 0 "[ . 1 . 2]" 3
110 1 39 VAL HA 1 48 HIS H . . 5.250 5.122 4.973 5.220 . 0 0 "[ . 1 . 2]" 3
111 1 48 HIS H 1 49 PRO HD3 . . 5.220 5.063 5.055 5.070 . 0 0 "[ . 1 . 2]" 3
112 1 48 HIS H 1 48 HIS HB2 . . 3.470 2.217 2.183 2.245 . 0 0 "[ . 1 . 2]" 3
113 1 48 HIS H 1 51 CYS HB2 . . 3.410 2.435 2.392 2.468 . 0 0 "[ . 1 . 2]" 3
114 1 47 ARG HD2 1 48 HIS H . . 4.700 4.457 4.360 4.568 . 0 0 "[ . 1 . 2]" 3
115 1 28 CYS HB2 1 48 HIS H . . 4.010 3.620 3.470 3.717 . 0 0 "[ . 1 . 2]" 3
116 1 47 ARG HB3 1 48 HIS H . . 3.640 2.918 2.864 2.972 . 0 0 "[ . 1 . 2]" 3
117 1 47 ARG HG2 1 48 HIS H . . 4.770 4.761 4.716 4.808 0.038 4 0 "[ . 1 . 2]" 3
118 1 47 ARG HB2 1 48 HIS H . . 4.160 3.968 3.931 4.015 . 0 0 "[ . 1 . 2]" 3
119 1 67 PHE H 1 67 PHE QD . . 3.490 3.243 3.145 3.407 . 0 0 "[ . 1 . 2]" 3
120 1 66 TYR QD 1 67 PHE H . . 3.810 2.849 2.676 3.120 . 0 0 "[ . 1 . 2]" 3
121 1 67 PHE H 1 73 LEU HA . . 4.600 3.898 3.705 4.078 . 0 0 "[ . 1 . 2]" 3
122 1 67 PHE H 1 67 PHE HB3 . . 3.880 3.717 3.680 3.737 . 0 0 "[ . 1 . 2]" 3
123 1 66 TYR QB 1 67 PHE H . . 3.090 2.500 2.293 2.712 . 0 0 "[ . 1 . 2]" 3
124 1 67 PHE H 1 79 ALA MB . . 4.430 4.196 4.050 4.417 . 0 0 "[ . 1 . 2]" 3
125 1 61 LEU MD2 1 67 PHE H . . 4.480 4.025 3.691 4.229 . 0 0 "[ . 1 . 2]" 3
126 1 67 PHE H 1 73 LEU MD1 . . 5.080 4.800 4.651 4.910 . 0 0 "[ . 1 . 2]" 3
127 1 61 LEU MD1 1 67 PHE H . . 4.000 3.014 2.719 3.310 . 0 0 "[ . 1 . 2]" 3
128 1 56 ASP H 1 74 TYR QD . . 3.700 3.223 2.994 3.413 . 0 0 "[ . 1 . 2]" 3
129 1 56 ASP H 1 74 TYR QE . . 4.270 3.456 3.170 3.699 . 0 0 "[ . 1 . 2]" 3
130 1 54 CYS HB3 1 56 ASP H . . 4.420 3.034 2.906 3.170 . 0 0 "[ . 1 . 2]" 3
131 1 56 ASP H 1 56 ASP HB2 . . 3.190 2.657 2.326 2.754 . 0 0 "[ . 1 . 2]" 3
132 1 80 ARG H 1 80 ARG QB . . 2.820 2.238 2.183 2.295 . 0 0 "[ . 1 . 2]" 3
133 1 80 ARG H 1 80 ARG HG2 . . 4.100 3.752 3.536 3.979 . 0 0 "[ . 1 . 2]" 3
134 1 80 ARG H 1 80 ARG HG3 . . 4.100 2.742 2.584 2.947 . 0 0 "[ . 1 . 2]" 3
135 1 79 ALA MB 1 80 ARG H . . 2.990 2.260 2.167 2.401 . 0 0 "[ . 1 . 2]" 3
136 1 69 VAL MG2 1 80 ARG H . . 5.500 5.358 5.268 5.456 . 0 0 "[ . 1 . 2]" 3
137 1 77 THR MG 1 80 ARG H . . 5.450 5.182 5.118 5.262 . 0 0 "[ . 1 . 2]" 3
138 1 83 THR HB 1 84 SER H . . 4.650 4.274 3.841 4.523 . 0 0 "[ . 1 . 2]" 3
139 1 83 THR MG 1 84 SER H . . 4.670 2.693 1.838 4.165 . 0 0 "[ . 1 . 2]" 3
140 1 50 GLU H 1 51 CYS H . . 3.600 1.883 1.873 1.893 . 0 0 "[ . 1 . 2]" 3
141 1 48 HIS HB2 1 51 CYS H . . 3.210 2.562 2.496 2.596 . 0 0 "[ . 1 . 2]" 3
142 1 51 CYS H 1 51 CYS HB3 . . 3.680 3.577 3.572 3.587 . 0 0 "[ . 1 . 2]" 3
143 1 51 CYS H 1 51 CYS HB2 . . 3.300 2.357 2.331 2.374 . 0 0 "[ . 1 . 2]" 3
144 1 50 GLU HG2 1 51 CYS H . . 4.420 2.551 2.274 2.971 . 0 0 "[ . 1 . 2]" 3
145 1 50 GLU HG3 1 51 CYS H . . 4.420 2.934 2.657 3.292 . 0 0 "[ . 1 . 2]" 3
146 1 50 GLU QB 1 51 CYS H . . 3.950 3.589 3.550 3.644 . 0 0 "[ . 1 . 2]" 3
147 1 63 GLN H 1 64 LYS H . . 4.450 2.482 2.352 2.574 . 0 0 "[ . 1 . 2]" 3
148 1 63 GLN HB2 1 64 LYS H . . 4.520 3.533 3.383 3.600 . 0 0 "[ . 1 . 2]" 3
149 1 64 LYS H 1 64 LYS HB3 . . 4.120 3.595 3.583 3.605 . 0 0 "[ . 1 . 2]" 3
150 1 64 LYS H 1 64 LYS HB2 . . 3.670 2.482 2.396 2.573 . 0 0 "[ . 1 . 2]" 3
151 1 56 ASP H 1 57 CYS H . . 3.090 2.059 1.975 2.143 . 0 0 "[ . 1 . 2]" 3
152 1 57 CYS H 1 58 ASN H . . 2.920 1.896 1.879 1.915 . 0 0 "[ . 1 . 2]" 3
153 1 54 CYS HB3 1 57 CYS H . . 3.490 2.376 2.310 2.449 . 0 0 "[ . 1 . 2]" 3
154 1 54 CYS HB2 1 57 CYS H . . 4.130 3.835 3.785 3.882 . 0 0 "[ . 1 . 2]" 3
155 1 57 CYS H 1 57 CYS HB3 . . 3.710 3.121 3.104 3.160 . 0 0 "[ . 1 . 2]" 3
156 1 63 GLN QG 1 64 LYS H . . 4.900 1.893 1.862 1.958 . 0 0 "[ . 1 . 2]" 3
157 1 64 LYS H 1 64 LYS HG2 . . 4.350 3.395 3.214 3.532 . 0 0 "[ . 1 . 2]" 3
158 1 66 TYR HA 1 74 TYR H . . 4.890 4.390 4.216 4.584 . 0 0 "[ . 1 . 2]" 3
159 1 69 VAL MG2 1 74 TYR H . . 4.910 4.826 4.711 4.951 0.041 15 0 "[ . 1 . 2]" 3
160 1 74 TYR H 1 75 CYS H . . 4.530 4.342 4.310 4.379 . 0 0 "[ . 1 . 2]" 3
161 1 74 TYR H 1 74 TYR QD . . 3.820 3.701 3.611 3.770 . 0 0 "[ . 1 . 2]" 3
162 1 67 PHE HB2 1 74 TYR H . . 4.080 2.973 2.818 3.134 . 0 0 "[ . 1 . 2]" 3
163 1 74 TYR H 1 74 TYR HB2 . . 3.410 2.938 2.875 2.988 . 0 0 "[ . 1 . 2]" 3
164 1 74 TYR H 1 79 ALA MB . . 3.920 3.819 3.576 3.921 0.001 10 0 "[ . 1 . 2]" 3
165 1 73 LEU HG 1 74 TYR H . . 4.400 4.206 4.112 4.336 . 0 0 "[ . 1 . 2]" 3
166 1 73 LEU HB3 1 74 TYR H . . 3.930 2.628 2.440 2.853 . 0 0 "[ . 1 . 2]" 3
167 1 73 LEU MD1 1 74 TYR H . . 4.630 4.592 4.517 4.698 0.068 19 0 "[ . 1 . 2]" 3
168 1 61 LEU MD1 1 74 TYR H . . 4.390 2.684 2.458 2.994 . 0 0 "[ . 1 . 2]" 3
169 1 88 SER QB 1 89 GLY H . . 5.030 2.952 2.221 3.705 . 0 0 "[ . 1 . 2]" 3
170 1 40 VAL MG2 1 47 ARG H . . 4.790 4.720 4.618 4.841 0.051 6 0 "[ . 1 . 2]" 3
171 1 46 TYR QD 1 47 ARG H . . 4.590 4.276 4.118 4.321 . 0 0 "[ . 1 . 2]" 3
172 1 41 LYS HA 1 47 ARG H . . 4.120 3.087 2.993 3.172 . 0 0 "[ . 1 . 2]" 3
173 1 39 VAL HA 1 47 ARG H . . 5.060 4.863 4.759 4.984 . 0 0 "[ . 1 . 2]" 3
174 1 46 TYR HB2 1 47 ARG H . . 4.080 3.896 3.847 3.956 . 0 0 "[ . 1 . 2]" 3
175 1 46 TYR HB3 1 47 ARG H . . 3.700 2.830 2.760 2.904 . 0 0 "[ . 1 . 2]" 3
176 1 47 ARG H 1 47 ARG HB3 . . 3.980 3.902 3.878 3.909 . 0 0 "[ . 1 . 2]" 3
177 1 47 ARG H 1 47 ARG HG2 . . 3.990 3.221 3.173 3.312 . 0 0 "[ . 1 . 2]" 3
178 1 47 ARG H 1 47 ARG HG3 . . 4.450 4.207 4.153 4.280 . 0 0 "[ . 1 . 2]" 3
179 1 40 VAL HB 1 47 ARG H . . 3.840 3.565 3.445 3.716 . 0 0 "[ . 1 . 2]" 3
180 1 40 VAL MG1 1 47 ARG H . . 4.460 4.062 3.972 4.180 . 0 0 "[ . 1 . 2]" 3
181 1 39 VAL H 1 39 VAL HB . . 3.300 2.976 2.884 3.135 . 0 0 "[ . 1 . 2]" 3
182 1 75 CYS H 1 79 ALA H . . 4.340 3.300 3.200 3.405 . 0 0 "[ . 1 . 2]" 3
183 1 75 CYS H 1 78 HIS H . . 4.350 3.942 3.827 4.065 . 0 0 "[ . 1 . 2]" 3
184 1 74 TYR QD 1 75 CYS H . . 4.130 3.414 3.298 3.553 . 0 0 "[ . 1 . 2]" 3
185 1 75 CYS H 1 78 HIS HB3 . . 4.380 4.164 4.053 4.304 . 0 0 "[ . 1 . 2]" 3
186 1 74 TYR HB3 1 75 CYS H . . 3.180 2.585 2.432 2.732 . 0 0 "[ . 1 . 2]" 3
187 1 75 CYS H 1 78 HIS HB2 . . 3.880 2.753 2.645 2.842 . 0 0 "[ . 1 . 2]" 3
188 1 54 CYS HB2 1 75 CYS H . . 3.350 3.124 2.951 3.268 . 0 0 "[ . 1 . 2]" 3
189 1 74 TYR HB2 1 75 CYS H . . 3.990 3.840 3.745 3.961 . 0 0 "[ . 1 . 2]" 3
190 1 61 LEU MD1 1 75 CYS H . . 4.270 3.791 3.453 4.142 . 0 0 "[ . 1 . 2]" 3
191 1 33 SER H 1 48 HIS HE1 . . 3.990 3.798 2.947 3.997 0.007 3 0 "[ . 1 . 2]" 3
192 1 31 CYS HA 1 33 SER H . . 5.000 4.798 4.648 5.012 0.012 20 0 "[ . 1 . 2]" 3
193 1 28 CYS HB3 1 33 SER H . . 3.780 2.009 1.897 2.093 . 0 0 "[ . 1 . 2]" 3
194 1 31 CYS H 1 32 GLY HA3 . . 4.870 4.865 4.654 4.909 0.039 2 0 "[ . 1 . 2]" 3
195 1 31 CYS H 1 32 GLY HA2 . . 4.580 4.346 4.258 4.386 . 0 0 "[ . 1 . 2]" 3
196 1 31 CYS H 1 31 CYS HB3 . . 3.740 2.945 2.899 2.999 . 0 0 "[ . 1 . 2]" 3
197 1 30 LYS HB3 1 31 CYS H . . 3.130 2.263 2.084 2.305 . 0 0 "[ . 1 . 2]" 3
198 1 30 LYS HB2 1 31 CYS H . . 3.730 3.684 3.400 3.731 0.001 17 0 "[ . 1 . 2]" 3
199 1 30 LYS QG 1 31 CYS H . . 3.760 3.365 3.240 3.612 . 0 0 "[ . 1 . 2]" 3
200 1 80 ARG HA 1 82 ARG H . . 4.520 4.271 4.038 4.467 . 0 0 "[ . 1 . 2]" 3
201 1 82 ARG H 1 83 THR HA . . 5.500 5.259 5.051 5.328 . 0 0 "[ . 1 . 2]" 3
202 1 78 HIS HA 1 82 ARG H . . 4.800 4.588 4.349 4.759 . 0 0 "[ . 1 . 2]" 3
203 1 79 ALA HA 1 82 ARG H . . 3.840 3.306 3.174 3.402 . 0 0 "[ . 1 . 2]" 3
204 1 82 ARG H 1 82 ARG HD2 . . 4.690 3.812 3.403 4.257 . 0 0 "[ . 1 . 2]" 3
205 1 82 ARG H 1 82 ARG HB3 . . 3.640 3.610 3.596 3.633 . 0 0 "[ . 1 . 2]" 3
206 1 81 ALA MB 1 82 ARG H . . 2.980 2.762 2.591 2.958 . 0 0 "[ . 1 . 2]" 3
207 1 82 ARG H 1 82 ARG HB2 . . 3.020 2.550 2.463 2.742 . 0 0 "[ . 1 . 2]" 3
208 1 82 ARG H 1 83 THR MG . . 4.060 3.798 3.573 4.115 0.055 14 0 "[ . 1 . 2]" 3
209 1 69 VAL MG2 1 82 ARG H . . 4.340 4.172 4.011 4.349 0.009 14 0 "[ . 1 . 2]" 3
210 1 49 PRO HD2 1 50 GLU H . . 4.010 2.801 2.792 2.812 . 0 0 "[ . 1 . 2]" 3
211 1 48 HIS HB3 1 50 GLU H . . 3.790 2.219 2.191 2.250 . 0 0 "[ . 1 . 2]" 3
212 1 50 GLU H 1 50 GLU HG2 . . 4.030 2.131 2.006 2.298 . 0 0 "[ . 1 . 2]" 3
213 1 50 GLU H 1 50 GLU HG3 . . 4.030 3.360 3.002 3.611 . 0 0 "[ . 1 . 2]" 3
214 1 50 GLU H 1 50 GLU QB . . 3.340 2.888 2.823 2.954 . 0 0 "[ . 1 . 2]" 3
215 1 36 VAL HA 1 37 GLY H . . 3.150 2.147 2.144 2.154 . 0 0 "[ . 1 . 2]" 3
216 1 36 VAL HB 1 37 GLY H . . 4.440 4.272 4.140 4.368 . 0 0 "[ . 1 . 2]" 3
217 1 35 ILE MG 1 37 GLY H . . 4.320 3.962 3.776 4.094 . 0 0 "[ . 1 . 2]" 3
218 1 76 GLU HB2 1 77 THR H . . 4.160 3.728 3.600 3.880 . 0 0 "[ . 1 . 2]" 3
219 1 76 GLU H 1 77 THR H . . 3.380 2.860 2.711 2.997 . 0 0 "[ . 1 . 2]" 3
220 1 77 THR H 1 79 ALA H . . 4.280 4.255 4.148 4.303 0.023 9 0 "[ . 1 . 2]" 3
221 1 77 THR H 1 78 HIS H . . 3.220 2.996 2.950 3.032 . 0 0 "[ . 1 . 2]" 3
222 1 75 CYS HA 1 77 THR H . . 4.360 4.280 4.174 4.364 0.004 11 0 "[ . 1 . 2]" 3
223 1 75 CYS HB2 1 77 THR H . . 3.790 2.925 2.812 3.018 . 0 0 "[ . 1 . 2]" 3
224 1 77 THR H 1 78 HIS HB2 . . 4.870 4.839 4.755 4.893 0.023 10 0 "[ . 1 . 2]" 3
225 1 75 CYS HB3 1 77 THR H . . 4.510 4.423 4.318 4.502 . 0 0 "[ . 1 . 2]" 3
226 1 76 GLU HB3 1 77 THR H . . 3.340 2.680 2.576 2.802 . 0 0 "[ . 1 . 2]" 3
227 1 65 GLY HA3 1 66 TYR H . . 3.520 3.365 3.286 3.423 . 0 0 "[ . 1 . 2]" 3
228 1 30 LYS H 1 32 GLY H . . 4.220 3.091 2.912 3.605 . 0 0 "[ . 1 . 2]" 3
229 1 30 LYS HA 1 32 GLY H . . 4.950 4.275 4.204 4.933 . 0 0 "[ . 1 . 2]" 3
230 1 28 CYS HB3 1 32 GLY H . . 3.880 3.099 2.190 3.230 . 0 0 "[ . 1 . 2]" 3
231 1 31 CYS HB2 1 32 GLY H . . 4.970 4.410 3.944 4.466 . 0 0 "[ . 1 . 2]" 3
232 1 31 CYS HB3 1 32 GLY H . . 4.970 4.444 4.025 4.496 . 0 0 "[ . 1 . 2]" 3
233 1 28 CYS HB2 1 32 GLY H . . 4.820 4.799 3.841 4.925 0.105 19 0 "[ . 1 . 2]" 3
234 1 30 LYS HB3 1 32 GLY H . . 4.900 4.323 4.075 4.382 . 0 0 "[ . 1 . 2]" 3
235 1 27 LEU MD1 1 32 GLY H . . 5.010 3.587 3.523 3.655 . 0 0 "[ . 1 . 2]" 3
236 1 55 ALA H 1 74 TYR QD . . 4.070 2.981 2.789 3.191 . 0 0 "[ . 1 . 2]" 3
237 1 55 ALA H 1 74 TYR QE . . 4.570 3.641 3.516 3.769 . 0 0 "[ . 1 . 2]" 3
238 1 54 CYS HA 1 55 ALA H . . 2.840 2.454 2.419 2.467 . 0 0 "[ . 1 . 2]" 3
239 1 54 CYS HB3 1 55 ALA H . . 4.600 3.359 3.320 3.470 . 0 0 "[ . 1 . 2]" 3
240 1 54 CYS HB2 1 55 ALA H . . 4.300 3.822 3.806 3.840 . 0 0 "[ . 1 . 2]" 3
241 1 83 THR H 1 83 THR HB . . 3.580 2.698 2.510 3.403 . 0 0 "[ . 1 . 2]" 3
242 1 80 ARG HA 1 83 THR H . . 3.970 3.875 3.338 4.040 0.070 20 0 "[ . 1 . 2]" 3
243 1 79 ALA HA 1 83 THR H . . 4.920 3.740 3.597 4.406 . 0 0 "[ . 1 . 2]" 3
244 1 82 ARG HB3 1 83 THR H . . 4.130 3.341 3.148 4.151 0.021 4 0 "[ . 1 . 2]" 3
245 1 82 ARG HB2 1 83 THR H . . 3.890 2.172 2.013 3.209 . 0 0 "[ . 1 . 2]" 3
246 1 83 THR H 1 83 THR MG . . 3.300 2.065 1.901 2.282 . 0 0 "[ . 1 . 2]" 3
247 1 69 VAL MG2 1 83 THR H . . 4.160 3.061 2.833 3.777 . 0 0 "[ . 1 . 2]" 3
248 1 52 PHE HB3 1 53 VAL H . . 4.640 4.218 4.200 4.238 . 0 0 "[ . 1 . 2]" 3
249 1 53 VAL H 1 73 LEU MD1 . . 4.610 3.771 3.406 3.978 . 0 0 "[ . 1 . 2]" 3
250 1 84 SER QB 1 85 GLY H . . 4.680 3.669 2.463 4.067 . 0 0 "[ . 1 . 2]" 3
251 1 52 PHE HA 1 53 VAL H . . 2.860 2.177 2.171 2.179 . 0 0 "[ . 1 . 2]" 3
252 1 52 PHE HB2 1 53 VAL H . . 4.710 4.604 4.598 4.612 . 0 0 "[ . 1 . 2]" 3
253 1 53 VAL H 1 53 VAL MG2 . . 2.960 2.462 2.364 2.515 . 0 0 "[ . 1 . 2]" 3
254 1 53 VAL H 1 73 LEU MD2 . . 5.250 5.140 4.956 5.260 0.010 3 0 "[ . 1 . 2]" 3
255 1 74 TYR QE 1 82 ARG HE . . 3.700 3.086 2.334 3.737 0.037 19 0 "[ . 1 . 2]" 3
256 1 41 LYS HB3 1 42 ALA H . . 4.510 4.455 4.424 4.481 . 0 0 "[ . 1 . 2]" 3
257 1 41 LYS HB2 1 42 ALA H . . 4.460 3.979 3.914 4.046 . 0 0 "[ . 1 . 2]" 3
258 1 52 PHE H 1 52 PHE QD . . 4.050 3.813 3.760 3.855 . 0 0 "[ . 1 . 2]" 3
259 1 52 PHE H 1 53 VAL H . . 4.330 4.311 4.306 4.325 . 0 0 "[ . 1 . 2]" 3
260 1 49 PRO HA 1 52 PHE H . . 4.360 4.354 4.312 4.384 0.024 11 0 "[ . 1 . 2]" 3
261 1 52 PHE H 1 52 PHE HB3 . . 3.120 2.983 2.952 3.017 . 0 0 "[ . 1 . 2]" 3
262 1 51 CYS HB3 1 52 PHE H . . 4.490 3.680 3.602 3.730 . 0 0 "[ . 1 . 2]" 3
263 1 51 CYS HB2 1 52 PHE H . . 4.260 2.812 2.747 2.881 . 0 0 "[ . 1 . 2]" 3
264 1 52 PHE H 1 52 PHE HB2 . . 3.180 2.167 2.147 2.186 . 0 0 "[ . 1 . 2]" 3
265 1 47 ARG HB3 1 52 PHE H . . 4.530 3.401 3.280 3.560 . 0 0 "[ . 1 . 2]" 3
266 1 64 LYS HA 1 65 GLY H . . 3.370 2.414 2.213 2.591 . 0 0 "[ . 1 . 2]" 3
267 1 64 LYS HB3 1 65 GLY H . . 3.660 2.482 2.068 2.998 . 0 0 "[ . 1 . 2]" 3
268 1 64 LYS HB2 1 65 GLY H . . 3.940 3.617 3.236 3.992 0.052 16 0 "[ . 1 . 2]" 3
269 1 37 GLY HA3 1 38 ALA H . . 2.980 2.679 2.513 2.825 . 0 0 "[ . 1 . 2]" 3
270 1 38 ALA H 1 38 ALA MB . . 2.800 2.692 2.549 2.773 . 0 0 "[ . 1 . 2]" 3
271 1 35 ILE MG 1 38 ALA H . . 4.820 3.217 2.964 3.392 . 0 0 "[ . 1 . 2]" 3
272 1 29 ASP H 1 47 ARG HG2 . . 4.750 3.985 3.694 4.228 . 0 0 "[ . 1 . 2]" 3
273 1 41 LYS H 1 41 LYS HG2 . . 3.920 3.913 3.843 3.955 0.035 16 0 "[ . 1 . 2]" 3
274 1 41 LYS H 1 41 LYS HB3 . . 3.370 2.315 2.289 2.337 . 0 0 "[ . 1 . 2]" 3
275 1 41 LYS H 1 41 LYS HB2 . . 3.390 3.325 3.282 3.376 . 0 0 "[ . 1 . 2]" 3
276 1 41 LYS H 1 41 LYS HG3 . . 4.830 4.681 4.629 4.705 . 0 0 "[ . 1 . 2]" 3
277 1 39 VAL MG1 1 41 LYS H . . 4.330 3.240 3.154 3.434 . 0 0 "[ . 1 . 2]" 3
278 1 36 VAL H 1 48 HIS HD2 . . 4.650 4.511 4.265 4.713 0.063 3 0 "[ . 1 . 2]" 3
279 1 35 ILE HB 1 36 VAL H . . 4.730 4.188 4.084 4.283 . 0 0 "[ . 1 . 2]" 3
280 1 35 ILE HG12 1 36 VAL H . . 4.790 4.598 4.466 4.783 . 0 0 "[ . 1 . 2]" 3
281 1 61 LEU H 1 62 LYS H . . 3.210 2.363 2.038 2.680 . 0 0 "[ . 1 . 2]" 3
282 1 52 PHE QD 1 61 LEU H . . 4.190 3.613 3.470 3.801 . 0 0 "[ . 1 . 2]" 3
283 1 60 ASN QB 1 61 LEU H . . 4.350 3.639 3.347 3.868 . 0 0 "[ . 1 . 2]" 3
284 1 61 LEU H 1 61 LEU HG . . 3.310 2.358 2.020 2.575 . 0 0 "[ . 1 . 2]" 3
285 1 61 LEU H 1 61 LEU HB3 . . 3.800 3.662 3.620 3.706 . 0 0 "[ . 1 . 2]" 3
286 1 61 LEU H 1 61 LEU HB2 . . 3.600 2.602 2.517 2.721 . 0 0 "[ . 1 . 2]" 3
287 1 40 VAL H 1 46 TYR HA . . 4.670 4.504 4.399 4.668 . 0 0 "[ . 1 . 2]" 3
288 1 40 VAL H 1 40 VAL HB . . 3.130 2.740 2.686 2.774 . 0 0 "[ . 1 . 2]" 3
289 1 40 VAL H 1 40 VAL MG1 . . 4.010 3.874 3.840 3.904 . 0 0 "[ . 1 . 2]" 3
290 1 28 CYS H 1 35 ILE H . . 4.170 4.068 3.801 4.287 0.117 3 0 "[ . 1 . 2]" 3
291 1 34 GLY HA2 1 35 ILE H . . 3.070 2.194 2.147 2.239 . 0 0 "[ . 1 . 2]" 3
292 1 25 MET HG3 1 35 ILE H . . 4.250 2.835 2.235 3.291 . 0 0 "[ . 1 . 2]" 3
293 1 35 ILE H 1 35 ILE HB . . 3.270 2.629 2.591 2.701 . 0 0 "[ . 1 . 2]" 3
294 1 35 ILE H 1 35 ILE HG13 . . 3.250 2.617 2.412 2.716 . 0 0 "[ . 1 . 2]" 3
295 1 35 ILE H 1 35 ILE MG . . 4.000 3.845 3.829 3.878 . 0 0 "[ . 1 . 2]" 3
296 1 27 LEU HA 1 28 CYS H . . 2.740 2.140 2.139 2.142 . 0 0 "[ . 1 . 2]" 3
297 1 28 CYS H 1 28 CYS HB3 . . 3.100 2.690 2.586 2.731 . 0 0 "[ . 1 . 2]" 3
298 1 27 LEU HB2 1 28 CYS H . . 4.710 4.494 4.456 4.531 . 0 0 "[ . 1 . 2]" 3
299 1 28 CYS H 1 35 ILE HG13 . . 3.370 2.310 2.191 2.503 . 0 0 "[ . 1 . 2]" 3
300 1 27 LEU MD2 1 28 CYS H . . 4.090 3.424 3.293 3.632 . 0 0 "[ . 1 . 2]" 3
301 1 28 CYS H 1 35 ILE HG12 . . 4.240 3.507 3.392 3.620 . 0 0 "[ . 1 . 2]" 3
302 1 60 ASN H 1 60 ASN HD21 . . 5.030 4.025 3.611 4.538 . 0 0 "[ . 1 . 2]" 3
303 1 59 LEU HA 1 60 ASN H . . 2.680 2.207 2.162 2.287 . 0 0 "[ . 1 . 2]" 3
304 1 60 ASN H 1 60 ASN QB . . 2.880 2.213 2.092 2.438 . 0 0 "[ . 1 . 2]" 3
305 1 59 LEU HB2 1 60 ASN H . . 4.430 4.166 3.918 4.408 . 0 0 "[ . 1 . 2]" 3
306 1 59 LEU HG 1 60 ASN H . . 3.910 3.084 2.272 3.779 . 0 0 "[ . 1 . 2]" 3
307 1 53 VAL HB 1 60 ASN H . . 4.930 4.184 3.970 4.497 . 0 0 "[ . 1 . 2]" 3
308 1 59 LEU MD2 1 60 ASN H . . 4.500 3.026 1.856 4.261 . 0 0 "[ . 1 . 2]" 3
309 1 69 VAL H 1 74 TYR H . . 4.910 4.780 4.595 4.881 . 0 0 "[ . 1 . 2]" 3
310 1 69 VAL H 1 72 GLU H . . 3.980 3.437 2.578 3.978 . 0 0 "[ . 1 . 2]" 3
311 1 69 VAL H 1 74 TYR QD . . 3.500 2.925 2.678 3.062 . 0 0 "[ . 1 . 2]" 3
312 1 68 PHE HB3 1 69 VAL H . . 4.010 3.869 3.851 3.878 . 0 0 "[ . 1 . 2]" 3
313 1 67 PHE HB3 1 69 VAL H . . 4.990 4.405 4.336 4.453 . 0 0 "[ . 1 . 2]" 3
314 1 69 VAL H 1 69 VAL HB . . 3.460 2.674 2.615 2.796 . 0 0 "[ . 1 . 2]" 3
315 1 69 VAL H 1 79 ALA MB . . 5.230 5.157 5.016 5.216 . 0 0 "[ . 1 . 2]" 3
316 1 69 VAL H 1 69 VAL MG2 . . 3.290 2.728 2.598 2.806 . 0 0 "[ . 1 . 2]" 3
317 1 73 LEU H 1 74 TYR QE . . 4.900 4.692 4.513 4.903 0.003 19 0 "[ . 1 . 2]" 3
318 1 78 HIS H 1 79 ALA H . . 3.180 2.896 2.867 2.926 . 0 0 "[ . 1 . 2]" 3
319 1 74 TYR HB2 1 79 ALA H . . 3.820 3.469 3.311 3.587 . 0 0 "[ . 1 . 2]" 3
320 1 79 ALA H 1 80 ARG H . . 3.100 3.052 3.012 3.104 0.004 20 0 "[ . 1 . 2]" 3
321 1 74 TYR QD 1 79 ALA H . . 4.260 4.233 4.077 4.308 0.048 9 0 "[ . 1 . 2]" 3
322 1 78 HIS HB3 1 79 ALA H . . 4.320 3.102 3.064 3.182 . 0 0 "[ . 1 . 2]" 3
323 1 74 TYR HB3 1 79 ALA H . . 3.490 2.399 2.329 2.506 . 0 0 "[ . 1 . 2]" 3
324 1 78 HIS HB2 1 79 ALA H . . 4.000 2.431 2.355 2.467 . 0 0 "[ . 1 . 2]" 3
325 1 76 GLU HA 1 79 ALA H . . 4.490 4.346 4.269 4.456 . 0 0 "[ . 1 . 2]" 3
326 1 72 GLU HG3 1 73 LEU H . . 3.900 2.075 1.921 2.277 . 0 0 "[ . 1 . 2]" 3
327 1 72 GLU HB2 1 73 LEU H . . 4.040 4.004 3.935 4.059 0.019 10 0 "[ . 1 . 2]" 3
328 1 73 LEU H 1 73 LEU HB2 . . 3.450 2.211 2.164 2.271 . 0 0 "[ . 1 . 2]" 3
329 1 73 LEU H 1 73 LEU HG . . 3.720 3.430 3.324 3.516 . 0 0 "[ . 1 . 2]" 3
330 1 73 LEU H 1 73 LEU HB3 . . 3.690 3.474 3.445 3.514 . 0 0 "[ . 1 . 2]" 3
331 1 73 LEU H 1 73 LEU MD2 . . 4.500 4.333 4.255 4.399 . 0 0 "[ . 1 . 2]" 3
332 1 42 ALA H 1 45 LYS HB2 . . 4.620 4.608 4.552 4.670 0.050 4 0 "[ . 1 . 2]" 3
333 1 74 TYR QD 1 82 ARG HE . . 4.700 2.788 2.624 3.143 . 0 0 "[ . 1 . 2]" 3
334 1 40 VAL H 1 47 ARG H . . 3.610 2.753 2.652 2.893 . 0 0 "[ . 1 . 2]" 3
335 1 50 GLU H 1 52 PHE H . . 4.620 3.566 3.530 3.648 . 0 0 "[ . 1 . 2]" 3
336 1 42 ALA H 1 45 LYS H . . 4.430 4.403 4.281 4.445 0.015 16 0 "[ . 1 . 2]" 3
337 1 55 ALA H 1 56 ASP H . . 3.500 2.130 2.080 2.225 . 0 0 "[ . 1 . 2]" 3
338 1 78 HIS H 1 78 HIS HD2 . . 4.790 4.327 4.223 4.462 . 0 0 "[ . 1 . 2]" 3
339 1 29 ASP H 1 30 LYS H . . 3.330 2.554 1.978 2.658 . 0 0 "[ . 1 . 2]" 3
340 1 30 LYS H 1 31 CYS H . . 2.980 2.420 2.375 2.703 . 0 0 "[ . 1 . 2]" 3
341 1 30 LYS H 1 47 ARG HA . . 4.940 4.222 3.933 4.413 . 0 0 "[ . 1 . 2]" 3
342 1 42 ALA H 1 46 TYR QD . . 5.500 5.540 5.444 5.585 0.085 19 0 "[ . 1 . 2]" 3
343 1 40 VAL MG1 1 42 ALA H . . 5.020 4.066 3.945 4.239 . 0 0 "[ . 1 . 2]" 3
344 1 47 ARG HD2 1 53 VAL H . . 5.050 4.554 4.483 4.648 . 0 0 "[ . 1 . 2]" 3
345 1 57 CYS H 1 58 ASN HB2 . . 4.890 4.642 4.598 4.697 . 0 0 "[ . 1 . 2]" 3
346 1 54 CYS H 1 59 LEU H . . 3.670 2.123 1.992 2.318 . 0 0 "[ . 1 . 2]" 3
347 1 64 LYS HG2 1 65 GLY H . . 4.920 4.117 3.877 4.370 . 0 0 "[ . 1 . 2]" 3
348 1 66 TYR H 1 66 TYR QD . . 3.480 2.331 2.158 2.458 . 0 0 "[ . 1 . 2]" 3
349 1 68 PHE H 1 69 VAL HA . . 5.040 4.742 4.663 4.808 . 0 0 "[ . 1 . 2]" 3
350 1 68 PHE H 1 73 LEU MD2 . . 5.200 4.568 4.370 4.751 . 0 0 "[ . 1 . 2]" 3
351 1 68 PHE HA 1 72 GLU H . . 5.120 4.528 3.532 5.154 0.034 17 0 "[ . 1 . 2]" 3
352 1 47 ARG QH1 1 73 LEU H . . 4.730 3.616 3.406 3.857 . 0 0 "[ . 1 . 2]" 3
353 1 73 LEU H 1 74 TYR QD . . 5.090 4.609 4.467 4.776 . 0 0 "[ . 1 . 2]" 3
354 1 66 TYR QD 1 74 TYR H . . 5.020 4.888 4.725 5.060 0.040 20 0 "[ . 1 . 2]" 3
355 1 67 PHE HB3 1 74 TYR H . . 4.790 3.939 3.767 4.094 . 0 0 "[ . 1 . 2]" 3
356 1 76 GLU H 1 79 ALA MB . . 4.900 4.121 3.933 4.251 . 0 0 "[ . 1 . 2]" 3
357 1 77 THR H 1 78 HIS HA . . 5.500 5.469 5.426 5.498 . 0 0 "[ . 1 . 2]" 3
358 1 67 PHE HB2 1 79 ALA H . . 4.690 4.463 4.347 4.688 . 0 0 "[ . 1 . 2]" 3
359 1 80 ARG QD 1 81 ALA H . . 5.100 4.901 4.711 5.041 . 0 0 "[ . 1 . 2]" 3
360 1 80 ARG H 1 81 ALA H . . 3.170 2.875 2.806 2.920 . 0 0 "[ . 1 . 2]" 3
361 1 83 THR H 1 84 SER H . . 3.650 2.765 2.555 3.804 0.154 4 0 "[ . 1 . 2]" 3
362 1 82 ARG H 1 83 THR H . . 3.110 2.710 2.357 2.798 . 0 0 "[ . 1 . 2]" 3
363 1 85 GLY H 1 86 PRO QD . . 5.300 2.532 1.764 3.528 . 0 0 "[ . 1 . 2]" 3
364 1 26 PRO QD 1 27 LEU H . . 5.200 5.006 5.000 5.008 . 0 0 "[ . 1 . 2]" 3
365 1 27 LEU H 1 46 TYR HB2 . . 5.160 4.520 4.266 4.656 . 0 0 "[ . 1 . 2]" 3
366 1 30 LYS H 1 30 LYS QG . . 4.100 4.016 3.984 4.103 0.003 15 0 "[ . 1 . 2]" 3
367 1 31 CYS HB3 1 33 SER H . . 5.070 5.004 4.794 5.115 0.045 9 0 "[ . 1 . 2]" 3
368 1 28 CYS HB2 1 35 ILE H . . 5.500 5.302 5.190 5.424 . 0 0 "[ . 1 . 2]" 3
369 1 26 PRO HG2 1 35 ILE H . . 4.700 4.255 3.799 4.527 . 0 0 "[ . 1 . 2]" 3
370 1 37 GLY H 1 38 ALA MB . . 5.120 4.957 4.826 5.085 . 0 0 "[ . 1 . 2]" 3
371 1 47 ARG H 1 47 ARG HB2 . . 3.400 2.860 2.820 2.873 . 0 0 "[ . 1 . 2]" 3
372 1 51 CYS H 1 52 PHE H . . 2.820 2.503 2.444 2.551 . 0 0 "[ . 1 . 2]" 3
373 1 70 GLU HA 1 72 GLU H . . 4.870 4.363 4.165 4.896 0.026 19 0 "[ . 1 . 2]" 3
374 1 74 TYR HA 1 79 ALA H . . 5.010 4.581 4.463 4.754 . 0 0 "[ . 1 . 2]" 3
375 1 77 THR MG 1 79 ALA H . . 5.170 5.049 4.949 5.158 . 0 0 "[ . 1 . 2]" 3
376 1 30 LYS H 1 47 ARG HE . . 4.480 4.166 3.637 4.476 . 0 0 "[ . 1 . 2]" 3
377 1 47 ARG HA 1 47 ARG HE . . 4.960 4.446 4.136 4.579 . 0 0 "[ . 1 . 2]" 3
378 1 29 ASP HB2 1 47 ARG HE . . 4.760 2.559 1.870 3.308 . 0 0 "[ . 1 . 2]" 3
379 1 29 ASP HB3 1 47 ARG HE . . 4.680 2.097 1.846 2.587 . 0 0 "[ . 1 . 2]" 3
380 1 47 ARG HE 1 47 ARG HG2 . . 3.990 2.845 2.778 2.905 . 0 0 "[ . 1 . 2]" 3
381 1 47 ARG HE 1 47 ARG HG3 . . 4.020 3.310 3.227 3.455 . 0 0 "[ . 1 . 2]" 3
382 1 47 ARG HE 1 73 LEU MD1 . . 4.680 3.955 3.683 4.337 . 0 0 "[ . 1 . 2]" 3
383 1 48 HIS HB3 1 51 CYS H . . 3.340 2.519 2.429 2.581 . 0 0 "[ . 1 . 2]" 3
384 1 57 CYS HB2 1 58 ASN H . . 4.390 4.098 4.033 4.158 . 0 0 "[ . 1 . 2]" 3
385 1 53 VAL MG1 1 59 LEU H . . 4.740 4.596 4.531 4.637 . 0 0 "[ . 1 . 2]" 3
386 1 24 ARG HB2 1 25 MET H . . 5.120 4.039 2.513 4.540 . 0 0 "[ . 1 . 2]" 3
387 1 24 ARG HB3 1 25 MET H . . 5.120 4.135 3.611 4.477 . 0 0 "[ . 1 . 2]" 3
388 1 28 CYS H 1 47 ARG HA . . 5.500 5.557 5.505 5.628 0.128 19 0 "[ . 1 . 2]" 3
389 1 30 LYS HD3 1 31 CYS H . . 5.500 5.577 5.541 5.607 0.107 1 0 "[ . 1 . 2]" 3
390 1 35 ILE HG13 1 36 VAL H . . 5.140 4.907 4.862 4.969 . 0 0 "[ . 1 . 2]" 3
391 1 42 ALA H 1 45 LYS HB3 . . 5.020 5.027 4.985 5.072 0.052 4 0 "[ . 1 . 2]" 3
392 1 48 HIS HA 1 51 CYS H . . 4.650 4.377 4.342 4.404 . 0 0 "[ . 1 . 2]" 3
393 1 55 ALA H 1 73 LEU HB3 . . 5.070 4.934 4.830 5.051 . 0 0 "[ . 1 . 2]" 3
394 1 55 ALA H 1 61 LEU MD1 . . 4.450 4.261 4.034 4.503 0.053 11 0 "[ . 1 . 2]" 3
395 1 54 CYS HB2 1 56 ASP H . . 4.960 4.188 4.120 4.248 . 0 0 "[ . 1 . 2]" 3
396 1 56 ASP H 1 78 HIS HB2 . . 5.190 5.110 4.918 5.229 0.039 7 0 "[ . 1 . 2]" 3
397 1 57 CYS H 1 74 TYR QD . . 4.710 4.564 4.403 4.703 . 0 0 "[ . 1 . 2]" 3
398 1 54 CYS HA 1 57 CYS H . . 4.800 4.805 4.777 4.836 0.036 14 0 "[ . 1 . 2]" 3
399 1 57 CYS HA 1 59 LEU H . . 5.230 4.974 4.835 5.063 . 0 0 "[ . 1 . 2]" 3
400 1 59 LEU H 1 61 LEU MD1 . . 5.290 4.904 4.665 5.069 . 0 0 "[ . 1 . 2]" 3
401 1 60 ASN H 1 60 ASN HD22 . . 5.030 4.872 4.347 5.175 0.145 14 0 "[ . 1 . 2]" 3
402 1 53 VAL HA 1 60 ASN H . . 4.860 4.435 4.096 4.783 . 0 0 "[ . 1 . 2]" 3
403 1 70 GLU HB2 1 71 GLY H . . 4.790 4.253 4.164 4.340 . 0 0 "[ . 1 . 2]" 3
404 1 80 ARG HG2 1 81 ALA H . . 5.300 5.030 4.950 5.114 . 0 0 "[ . 1 . 2]" 3
405 1 54 CYS H 1 60 ASN HA . . 4.720 4.419 4.294 4.535 . 0 0 "[ . 1 . 2]" 3
406 1 28 CYS H 1 33 SER H . . 3.520 3.290 3.166 3.518 . 0 0 "[ . 1 . 2]" 3
407 1 32 GLY H 1 33 SER H . . 3.260 3.024 2.465 3.131 . 0 0 "[ . 1 . 2]" 3
408 1 61 LEU HA 1 64 LYS H . . 4.920 3.359 3.157 3.629 . 0 0 "[ . 1 . 2]" 3
409 1 53 VAL H 1 53 VAL MG1 . . 3.470 3.097 3.051 3.146 . 0 0 "[ . 1 . 2]" 3
410 1 53 VAL H 1 54 CYS H . . 4.630 4.381 4.377 4.385 . 0 0 "[ . 1 . 2]" 3
411 1 56 ASP H 1 58 ASN H . . 4.220 2.872 2.762 2.983 . 0 0 "[ . 1 . 2]" 3
412 1 29 ASP H 1 35 ILE MD . . 3.950 3.893 3.783 3.985 0.035 1 0 "[ . 1 . 2]" 3
413 1 35 ILE MD 1 47 ARG H . . 3.940 3.946 3.806 4.022 0.082 17 0 "[ . 1 . 2]" 3
414 1 35 ILE MD 1 40 VAL H . . 4.150 4.013 3.817 4.167 0.017 13 0 "[ . 1 . 2]" 3
415 1 35 ILE H 1 35 ILE MD . . 3.650 3.588 3.367 3.686 0.036 19 0 "[ . 1 . 2]" 3
416 1 28 CYS H 1 35 ILE MD . . 3.640 2.357 2.243 2.456 . 0 0 "[ . 1 . 2]" 3
417 1 35 ILE MD 1 48 HIS H . . 3.710 3.569 3.400 3.656 . 0 0 "[ . 1 . 2]" 3
418 1 35 ILE MD 1 48 HIS HD2 . . 4.720 3.854 3.708 4.076 . 0 0 "[ . 1 . 2]" 3
419 1 35 ILE MD 1 46 TYR QD . . 4.050 4.091 3.932 4.149 0.099 16 0 "[ . 1 . 2]" 3
420 1 35 ILE MD 1 46 TYR HA . . 4.900 4.726 4.655 4.792 . 0 0 "[ . 1 . 2]" 3
421 1 35 ILE MD 1 48 HIS HA . . 4.050 3.645 3.367 3.887 . 0 0 "[ . 1 . 2]" 3
422 1 35 ILE MD 1 39 VAL HA . . 3.970 3.899 3.633 4.023 0.053 13 0 "[ . 1 . 2]" 3
423 1 27 LEU HA 1 35 ILE MD . . 4.200 3.161 2.878 3.340 . 0 0 "[ . 1 . 2]" 3
424 1 35 ILE HA 1 35 ILE MD . . 3.960 3.905 3.887 3.931 . 0 0 "[ . 1 . 2]" 3
425 1 35 ILE MD 1 46 TYR HB2 . . 3.320 3.170 3.090 3.297 . 0 0 "[ . 1 . 2]" 3
426 1 35 ILE MD 1 46 TYR HB3 . . 3.080 2.999 2.928 3.038 . 0 0 "[ . 1 . 2]" 3
427 1 28 CYS HB2 1 35 ILE MD . . 3.230 2.276 2.031 2.553 . 0 0 "[ . 1 . 2]" 3
428 1 35 ILE MD 1 39 VAL HB . . 3.990 3.688 3.408 3.811 . 0 0 "[ . 1 . 2]" 3
429 1 26 PRO HG2 1 35 ILE MD . . 3.590 2.494 2.177 2.806 . 0 0 "[ . 1 . 2]" 3
430 1 26 PRO HB2 1 35 ILE MD . . 3.660 2.477 2.244 2.683 . 0 0 "[ . 1 . 2]" 3
431 1 35 ILE HB 1 35 ILE MD . . 2.780 2.275 2.149 2.359 . 0 0 "[ . 1 . 2]" 3
432 1 68 PHE QE 1 71 GLY HA2 . . 4.690 4.504 4.101 4.732 0.042 19 0 "[ . 1 . 2]" 3
433 1 68 PHE QD 1 71 GLY HA2 . . 4.530 3.356 2.966 3.641 . 0 0 "[ . 1 . 2]" 3
434 1 27 LEU HB2 1 34 GLY HA2 . . 5.290 4.610 4.386 4.787 . 0 0 "[ . 1 . 2]" 3
435 1 27 LEU HG 1 34 GLY HA2 . . 5.500 4.825 4.500 5.230 . 0 0 "[ . 1 . 2]" 3
436 1 34 GLY HA2 1 35 ILE HG13 . . 4.250 3.511 3.399 3.586 . 0 0 "[ . 1 . 2]" 3
437 1 27 LEU MD2 1 34 GLY HA2 . . 3.610 1.958 1.797 2.329 . 0 0 "[ . 1 . 2]" 3
438 1 34 GLY HA3 1 35 ILE H . . 3.290 3.049 2.961 3.175 . 0 0 "[ . 1 . 2]" 3
439 1 65 GLY HA2 1 66 TYR H . . 3.330 2.163 2.139 2.195 . 0 0 "[ . 1 . 2]" 3
440 1 74 TYR H 1 74 TYR HB3 . . 4.000 3.925 3.887 3.960 . 0 0 "[ . 1 . 2]" 3
441 1 74 TYR HB3 1 78 HIS HB2 . . 4.040 2.738 2.630 2.849 . 0 0 "[ . 1 . 2]" 3
442 1 74 TYR HB2 1 78 HIS HB2 . . 4.720 4.471 4.353 4.599 . 0 0 "[ . 1 . 2]" 3
443 1 85 GLY HA2 1 86 PRO QD . . 3.570 2.379 1.905 3.470 . 0 0 "[ . 1 . 2]" 3
444 1 85 GLY HA3 1 86 PRO QD . . 3.570 3.118 2.051 3.466 . 0 0 "[ . 1 . 2]" 3
445 1 61 LEU MD1 1 73 LEU HB2 . . 4.030 3.325 3.090 3.574 . 0 0 "[ . 1 . 2]" 3
446 1 37 GLY HA3 1 38 ALA MB . . 4.010 3.710 3.684 3.827 . 0 0 "[ . 1 . 2]" 3
447 1 54 CYS HB2 1 59 LEU HB2 . . 4.620 3.779 3.213 4.286 . 0 0 "[ . 1 . 2]" 3
448 1 59 LEU HB3 1 60 ASN H . . 4.430 3.880 3.701 4.097 . 0 0 "[ . 1 . 2]" 3
449 1 54 CYS H 1 59 LEU HB3 . . 4.870 3.652 3.543 3.805 . 0 0 "[ . 1 . 2]" 3
450 1 54 CYS HB2 1 59 LEU HB3 . . 4.620 2.983 2.723 3.254 . 0 0 "[ . 1 . 2]" 3
451 1 73 LEU HB2 1 74 TYR H . . 4.550 3.971 3.838 4.114 . 0 0 "[ . 1 . 2]" 3
452 1 73 LEU HB3 1 73 LEU MD1 . . 3.580 2.646 2.506 2.721 . 0 0 "[ . 1 . 2]" 3
453 1 29 ASP H 1 47 ARG HD3 . . 4.390 2.763 2.351 3.126 . 0 0 "[ . 1 . 2]" 3
454 1 30 LYS HB3 1 47 ARG HD3 . . 4.570 3.741 3.318 4.570 . 0 0 "[ . 1 . 2]" 3
455 1 47 ARG HB3 1 47 ARG HD3 . . 3.940 2.732 2.602 2.812 . 0 0 "[ . 1 . 2]" 3
456 1 47 ARG HD3 1 48 HIS H . . 4.420 3.885 3.641 3.983 . 0 0 "[ . 1 . 2]" 3
457 1 47 ARG HD3 1 52 PHE QD . . 4.710 4.449 4.297 4.523 . 0 0 "[ . 1 . 2]" 3
458 1 47 ARG HD3 1 52 PHE QE . . 5.500 5.535 5.500 5.602 0.102 9 0 "[ . 1 . 2]" 3
459 1 47 ARG HD3 1 52 PHE HA . . 5.050 5.071 4.881 5.124 0.074 20 0 "[ . 1 . 2]" 3
460 1 30 LYS HB2 1 47 ARG HD3 . . 3.820 2.882 2.602 3.580 . 0 0 "[ . 1 . 2]" 3
461 1 47 ARG HD2 1 47 ARG QH1 . . 4.530 1.782 1.724 1.837 . 0 0 "[ . 1 . 2]" 3
462 1 47 ARG HD2 1 52 PHE QD . . 3.960 3.375 3.316 3.473 . 0 0 "[ . 1 . 2]" 3
463 1 47 ARG HD2 1 52 PHE QE . . 5.100 4.738 4.667 4.796 . 0 0 "[ . 1 . 2]" 3
464 1 47 ARG HA 1 47 ARG HD2 . . 3.940 3.579 3.462 3.676 . 0 0 "[ . 1 . 2]" 3
465 1 47 ARG HD2 1 52 PHE HA . . 4.110 3.602 3.528 3.688 . 0 0 "[ . 1 . 2]" 3
466 1 47 ARG HD2 1 51 CYS HB3 . . 4.040 3.746 3.574 3.887 . 0 0 "[ . 1 . 2]" 3
467 1 30 LYS HB3 1 47 ARG HD2 . . 4.330 3.878 3.554 4.392 0.062 20 0 "[ . 1 . 2]" 3
468 1 47 ARG HB3 1 47 ARG HD2 . . 3.830 2.321 2.249 2.471 . 0 0 "[ . 1 . 2]" 3
469 1 30 LYS HB2 1 47 ARG HD2 . . 3.740 2.508 2.222 2.959 . 0 0 "[ . 1 . 2]" 3
470 1 47 ARG HB2 1 47 ARG HD2 . . 4.110 3.494 3.449 3.582 . 0 0 "[ . 1 . 2]" 3
471 1 24 ARG HA 1 24 ARG QD . . 4.270 3.619 1.944 4.357 0.087 16 0 "[ . 1 . 2]" 3
472 1 24 ARG HB2 1 24 ARG QD . . 3.800 2.629 2.110 3.509 . 0 0 "[ . 1 . 2]" 3
473 1 24 ARG HB3 1 24 ARG QD . . 3.800 2.685 2.201 3.381 . 0 0 "[ . 1 . 2]" 3
474 1 80 ARG H 1 80 ARG QD . . 4.360 4.016 3.652 4.316 . 0 0 "[ . 1 . 2]" 3
475 1 27 LEU HB2 1 27 LEU MD1 . . 3.330 3.179 3.178 3.183 . 0 0 "[ . 1 . 2]" 3
476 1 27 LEU H 1 27 LEU HB3 . . 3.310 2.912 2.880 2.946 . 0 0 "[ . 1 . 2]" 3
477 1 27 LEU HB3 1 27 LEU MD1 . . 3.370 2.321 2.232 2.382 . 0 0 "[ . 1 . 2]" 3
478 1 80 ARG QB 1 80 ARG QD . . 3.110 2.170 2.063 2.288 . 0 0 "[ . 1 . 2]" 3
479 1 43 ARG HA 1 43 ARG HD2 . . 4.660 4.238 2.545 4.615 . 0 0 "[ . 1 . 2]" 3
480 1 43 ARG HD3 1 68 PHE QD . . 4.740 4.168 3.899 4.544 . 0 0 "[ . 1 . 2]" 3
481 1 43 ARG HD2 1 68 PHE QD . . 4.740 3.067 2.248 4.746 0.006 7 0 "[ . 1 . 2]" 3
482 1 43 ARG HD3 1 44 ASP H . . 4.940 4.350 4.092 4.973 0.033 7 0 "[ . 1 . 2]" 3
483 1 43 ARG HD3 1 68 PHE QE . . 4.850 4.546 4.200 4.851 0.001 17 0 "[ . 1 . 2]" 3
484 1 67 PHE H 1 67 PHE HB2 . . 3.370 2.669 2.630 2.706 . 0 0 "[ . 1 . 2]" 3
485 1 67 PHE HB2 1 69 VAL MG2 . . 4.420 4.010 3.892 4.135 . 0 0 "[ . 1 . 2]" 3
486 1 61 LEU HB3 1 66 TYR QB . . 3.760 2.522 2.393 2.605 . 0 0 "[ . 1 . 2]" 3
487 1 52 PHE QE 1 66 TYR QB . . 4.480 2.587 2.320 2.864 . 0 0 "[ . 1 . 2]" 3
488 1 45 LYS QE 1 47 ARG QH1 . . 4.580 4.556 4.411 4.627 0.047 15 0 "[ . 1 . 2]" 3
489 1 45 LYS QE 1 68 PHE QD . . 4.710 4.033 3.745 4.320 . 0 0 "[ . 1 . 2]" 3
490 1 45 LYS QE 1 72 GLU HA . . 4.720 4.493 4.154 4.741 0.021 6 0 "[ . 1 . 2]" 3
491 1 30 LYS QE 1 51 CYS HA . . 4.800 4.283 3.659 4.813 0.013 7 0 "[ . 1 . 2]" 3
492 1 45 LYS QE 1 45 LYS HG2 . . 3.630 3.399 3.290 3.493 . 0 0 "[ . 1 . 2]" 3
493 1 30 LYS QE 1 53 VAL MG2 . . 3.040 2.686 2.005 2.920 . 0 0 "[ . 1 . 2]" 3
494 1 45 LYS QE 1 73 LEU MD1 . . 4.570 3.684 3.293 4.005 . 0 0 "[ . 1 . 2]" 3
495 1 45 LYS QE 1 73 LEU MD2 . . 5.220 5.152 4.985 5.247 0.027 1 0 "[ . 1 . 2]" 3
496 1 45 LYS QE 1 68 PHE QE . . 4.090 2.226 2.030 2.423 . 0 0 "[ . 1 . 2]" 3
497 1 64 LYS QE 1 64 LYS HG3 . . 3.450 2.544 2.197 3.047 . 0 0 "[ . 1 . 2]" 3
498 1 64 LYS QE 1 64 LYS HG2 . . 3.410 2.599 2.263 2.859 . 0 0 "[ . 1 . 2]" 3
499 1 59 LEU MD1 1 64 LYS QE . . 3.750 2.386 1.891 3.597 . 0 0 "[ . 1 . 2]" 3
500 1 59 LEU MD2 1 64 LYS QE . . 3.750 2.002 1.874 2.786 . 0 0 "[ . 1 . 2]" 3
501 1 41 LYS HE2 1 46 TYR QE . . 4.780 4.155 3.863 4.466 . 0 0 "[ . 1 . 2]" 3
502 1 41 LYS HE2 1 44 ASP HA . . 4.370 2.850 2.207 4.283 . 0 0 "[ . 1 . 2]" 3
503 1 41 LYS HB2 1 41 LYS HE2 . . 4.930 4.458 4.255 4.924 . 0 0 "[ . 1 . 2]" 3
504 1 41 LYS HE2 1 41 LYS HG3 . . 3.830 2.615 2.292 3.645 . 0 0 "[ . 1 . 2]" 3
505 1 41 LYS HE2 1 41 LYS HG2 . . 3.850 2.885 2.611 3.809 . 0 0 "[ . 1 . 2]" 3
506 1 41 LYS HE3 1 46 TYR QE . . 4.780 3.352 2.512 4.559 . 0 0 "[ . 1 . 2]" 3
507 1 41 LYS HE3 1 44 ASP HA . . 4.370 3.069 2.637 3.655 . 0 0 "[ . 1 . 2]" 3
508 1 41 LYS HB2 1 41 LYS HE3 . . 4.930 4.270 3.880 4.860 . 0 0 "[ . 1 . 2]" 3
509 1 41 LYS HE3 1 41 LYS HG3 . . 3.830 2.844 2.492 3.570 . 0 0 "[ . 1 . 2]" 3
510 1 41 LYS HE3 1 41 LYS HG2 . . 3.850 3.491 2.594 3.790 . 0 0 "[ . 1 . 2]" 3
511 1 56 ASP HB2 1 57 CYS H . . 3.680 3.599 2.903 3.729 0.049 5 0 "[ . 1 . 2]" 3
512 1 56 ASP HB2 1 74 TYR QD . . 4.050 2.869 2.501 3.006 . 0 0 "[ . 1 . 2]" 3
513 1 56 ASP HB2 1 78 HIS HB3 . . 3.910 3.814 3.248 3.948 0.038 15 0 "[ . 1 . 2]" 3
514 1 56 ASP HB3 1 78 HIS HD2 . . 4.870 4.285 3.977 4.388 . 0 0 "[ . 1 . 2]" 3
515 1 56 ASP H 1 56 ASP HB3 . . 3.390 2.889 2.758 3.498 0.108 13 0 "[ . 1 . 2]" 3
516 1 56 ASP HB3 1 57 CYS H . . 3.750 2.719 2.630 3.212 . 0 0 "[ . 1 . 2]" 3
517 1 56 ASP HB3 1 78 HIS HB3 . . 4.070 4.051 3.905 4.211 0.141 8 0 "[ . 1 . 2]" 3
518 1 56 ASP HB3 1 78 HIS HB2 . . 4.470 4.176 4.028 4.545 0.075 8 0 "[ . 1 . 2]" 3
519 1 62 LYS HA 1 62 LYS QE . . 4.400 3.532 2.090 4.457 0.057 6 0 "[ . 1 . 2]" 3
520 1 62 LYS HB2 1 62 LYS QE . . 4.290 3.605 2.474 4.100 . 0 0 "[ . 1 . 2]" 3
521 1 62 LYS HB3 1 62 LYS QE . . 4.460 4.047 3.234 4.384 . 0 0 "[ . 1 . 2]" 3
522 1 62 LYS QE 1 62 LYS HG3 . . 3.440 2.367 2.075 3.384 . 0 0 "[ . 1 . 2]" 3
523 1 40 VAL MG2 1 62 LYS QE . . 4.390 3.169 1.914 3.791 . 0 0 "[ . 1 . 2]" 3
524 1 74 TYR QD 1 82 ARG HD2 . . 4.750 3.198 2.819 3.461 . 0 0 "[ . 1 . 2]" 3
525 1 74 TYR QE 1 82 ARG HD2 . . 4.380 3.905 3.433 4.222 . 0 0 "[ . 1 . 2]" 3
526 1 82 ARG HB2 1 82 ARG HD2 . . 3.640 2.819 2.113 3.571 . 0 0 "[ . 1 . 2]" 3
527 1 69 VAL MG2 1 82 ARG HD2 . . 4.460 2.915 1.968 4.062 . 0 0 "[ . 1 . 2]" 3
528 1 82 ARG H 1 82 ARG HD3 . . 4.690 4.173 3.535 4.725 0.035 3 0 "[ . 1 . 2]" 3
529 1 74 TYR QD 1 82 ARG HD3 . . 4.750 3.169 2.857 3.398 . 0 0 "[ . 1 . 2]" 3
530 1 74 TYR QE 1 82 ARG HD3 . . 4.380 3.562 2.817 4.231 . 0 0 "[ . 1 . 2]" 3
531 1 82 ARG HA 1 82 ARG HD3 . . 4.950 4.623 4.395 4.720 . 0 0 "[ . 1 . 2]" 3
532 1 82 ARG HB2 1 82 ARG HD3 . . 3.640 2.608 2.138 3.063 . 0 0 "[ . 1 . 2]" 3
533 1 69 VAL MG2 1 82 ARG HD3 . . 4.460 2.497 1.976 3.350 . 0 0 "[ . 1 . 2]" 3
534 1 29 ASP H 1 29 ASP HB2 . . 3.510 2.309 2.167 2.811 . 0 0 "[ . 1 . 2]" 3
535 1 29 ASP HA 1 29 ASP HB2 . . 3.000 2.756 2.540 2.975 . 0 0 "[ . 1 . 2]" 3
536 1 29 ASP H 1 29 ASP HB3 . . 3.500 3.064 2.688 3.485 . 0 0 "[ . 1 . 2]" 3
537 1 29 ASP HB3 1 46 TYR H . . 5.500 5.258 4.841 5.523 0.023 14 0 "[ . 1 . 2]" 3
538 1 29 ASP HB3 1 45 LYS HD2 . . 4.650 3.260 2.924 3.990 . 0 0 "[ . 1 . 2]" 3
539 1 29 ASP HB3 1 45 LYS HB3 . . 5.090 4.707 4.405 5.025 . 0 0 "[ . 1 . 2]" 3
540 1 29 ASP HB3 1 30 LYS HB2 . . 5.270 4.764 4.324 5.154 . 0 0 "[ . 1 . 2]" 3
541 1 29 ASP HB3 1 45 LYS HD3 . . 5.430 4.385 3.968 5.355 . 0 0 "[ . 1 . 2]" 3
542 1 66 TYR QE 1 68 PHE HB3 . . 5.500 5.412 5.235 5.536 0.036 8 0 "[ . 1 . 2]" 3
543 1 68 PHE HB2 1 69 VAL H . . 4.810 4.581 4.573 4.587 . 0 0 "[ . 1 . 2]" 3
544 1 68 PHE H 1 68 PHE HB2 . . 3.360 2.597 2.500 2.769 . 0 0 "[ . 1 . 2]" 3
545 1 66 TYR QE 1 68 PHE HB2 . . 4.310 4.104 3.927 4.236 . 0 0 "[ . 1 . 2]" 3
546 1 68 PHE HB2 1 73 LEU MD2 . . 4.970 4.810 4.464 5.045 0.075 12 0 "[ . 1 . 2]" 3
547 1 46 TYR H 1 46 TYR HB3 . . 3.940 3.813 3.767 3.841 . 0 0 "[ . 1 . 2]" 3
548 1 52 PHE QD 1 61 LEU HB3 . . 4.540 4.407 4.054 4.574 0.034 13 0 "[ . 1 . 2]" 3
549 1 52 PHE QE 1 61 LEU HB3 . . 4.700 3.730 3.445 3.878 . 0 0 "[ . 1 . 2]" 3
550 1 52 PHE QE 1 61 LEU HB2 . . 4.610 3.181 2.901 3.366 . 0 0 "[ . 1 . 2]" 3
551 1 61 LEU HB2 1 66 TYR QB . . 4.510 3.115 2.732 3.431 . 0 0 "[ . 1 . 2]" 3
552 1 52 PHE QD 1 61 LEU HB2 . . 4.320 3.153 2.849 3.331 . 0 0 "[ . 1 . 2]" 3
553 1 61 LEU HB2 1 61 LEU MD1 . . 3.610 2.261 2.156 2.361 . 0 0 "[ . 1 . 2]" 3
554 1 44 ASP H 1 44 ASP HB2 . . 3.860 3.054 2.451 3.791 . 0 0 "[ . 1 . 2]" 3
555 1 44 ASP H 1 44 ASP HB3 . . 3.860 3.247 2.446 3.790 . 0 0 "[ . 1 . 2]" 3
556 1 60 ASN QB 1 60 ASN HD22 . . 3.800 3.363 3.312 3.391 . 0 0 "[ . 1 . 2]" 3
557 1 59 LEU HA 1 60 ASN QB . . 4.470 4.237 4.053 4.434 . 0 0 "[ . 1 . 2]" 3
558 1 58 ASN H 1 58 ASN HB3 . . 3.850 3.809 3.759 3.846 . 0 0 "[ . 1 . 2]" 3
559 1 58 ASN HB3 1 58 ASN HD22 . . 4.070 3.670 3.446 4.079 0.009 10 0 "[ . 1 . 2]" 3
560 1 53 VAL HB 1 58 ASN HB3 . . 4.310 4.155 4.024 4.261 . 0 0 "[ . 1 . 2]" 3
561 1 53 VAL MG2 1 58 ASN HB3 . . 4.160 3.763 3.676 3.830 . 0 0 "[ . 1 . 2]" 3
562 1 58 ASN H 1 58 ASN HB2 . . 3.690 3.084 3.043 3.125 . 0 0 "[ . 1 . 2]" 3
563 1 53 VAL HB 1 58 ASN HB2 . . 5.020 4.678 4.545 4.825 . 0 0 "[ . 1 . 2]" 3
564 1 53 VAL MG2 1 58 ASN HB2 . . 4.380 3.680 3.520 3.810 . 0 0 "[ . 1 . 2]" 3
565 1 34 GLY HA2 1 35 ILE HB . . 4.790 4.649 4.608 4.723 . 0 0 "[ . 1 . 2]" 3
566 1 26 PRO QD 1 35 ILE HB . . 4.080 3.210 2.992 3.417 . 0 0 "[ . 1 . 2]" 3
567 1 26 PRO HB2 1 35 ILE HB . . 4.700 3.882 3.581 4.056 . 0 0 "[ . 1 . 2]" 3
568 1 26 PRO HG3 1 35 ILE HB . . 5.060 3.946 3.639 4.172 . 0 0 "[ . 1 . 2]" 3
569 1 26 PRO HG2 1 35 ILE HB . . 3.960 2.230 1.979 2.431 . 0 0 "[ . 1 . 2]" 3
570 1 72 GLU HG2 1 73 LEU H . . 3.900 3.437 2.590 3.869 . 0 0 "[ . 1 . 2]" 3
571 1 72 GLU HG2 1 74 TYR QE . . 4.420 3.020 2.516 3.513 . 0 0 "[ . 1 . 2]" 3
572 1 72 GLU H 1 72 GLU HG2 . . 4.750 4.684 4.554 4.834 0.084 14 0 "[ . 1 . 2]" 3
573 1 72 GLU HG3 1 74 TYR QE . . 4.420 3.667 3.115 4.349 . 0 0 "[ . 1 . 2]" 3
574 1 77 THR H 1 77 THR HB . . 3.170 2.561 2.520 2.603 . 0 0 "[ . 1 . 2]" 3
575 1 51 CYS H 1 52 PHE HB3 . . 5.430 5.221 5.136 5.311 . 0 0 "[ . 1 . 2]" 3
576 1 49 PRO HA 1 52 PHE HB3 . . 4.790 4.620 4.494 4.758 . 0 0 "[ . 1 . 2]" 3
577 1 40 VAL MG2 1 52 PHE HB3 . . 4.120 4.031 3.839 4.164 0.044 10 0 "[ . 1 . 2]" 3
578 1 47 ARG HB2 1 52 PHE HB2 . . 4.390 3.222 2.961 3.451 . 0 0 "[ . 1 . 2]" 3
579 1 70 GLU H 1 70 GLU HG2 . . 4.650 3.133 2.729 3.766 . 0 0 "[ . 1 . 2]" 3
580 1 70 GLU HA 1 70 GLU HG2 . . 3.730 2.581 2.383 3.711 . 0 0 "[ . 1 . 2]" 3
581 1 70 GLU H 1 70 GLU HG3 . . 4.650 3.459 2.816 4.278 . 0 0 "[ . 1 . 2]" 3
582 1 69 VAL MG1 1 70 GLU HG3 . . 3.590 2.310 1.958 3.003 . 0 0 "[ . 1 . 2]" 3
583 1 50 GLU HA 1 50 GLU HG2 . . 4.010 3.697 3.625 3.804 . 0 0 "[ . 1 . 2]" 3
584 1 70 GLU HA 1 70 GLU HG3 . . 3.730 3.412 2.937 3.740 0.010 15 0 "[ . 1 . 2]" 3
585 1 53 VAL HB 1 58 ASN H . . 4.480 4.543 4.486 4.583 0.103 10 0 "[ . 1 . 2]" 3
586 1 53 VAL HB 1 59 LEU H . . 4.820 3.258 3.199 3.373 . 0 0 "[ . 1 . 2]" 3
587 1 76 GLU H 1 76 GLU HG2 . . 4.820 4.523 4.449 4.590 . 0 0 "[ . 1 . 2]" 3
588 1 67 PHE QE 1 76 GLU HG2 . . 4.570 4.012 3.585 4.453 . 0 0 "[ . 1 . 2]" 3
589 1 76 GLU HA 1 76 GLU HG2 . . 3.670 2.827 2.545 3.076 . 0 0 "[ . 1 . 2]" 3
590 1 76 GLU H 1 76 GLU HG3 . . 4.820 4.196 4.028 4.355 . 0 0 "[ . 1 . 2]" 3
591 1 67 PHE QE 1 76 GLU HG3 . . 4.570 2.570 2.143 2.995 . 0 0 "[ . 1 . 2]" 3
592 1 47 ARG HB3 1 48 HIS HB2 . . 4.720 4.469 4.446 4.498 . 0 0 "[ . 1 . 2]" 3
593 1 47 ARG HB3 1 52 PHE QD . . 4.480 2.504 2.432 2.557 . 0 0 "[ . 1 . 2]" 3
594 1 47 ARG HB3 1 52 PHE HB2 . . 4.650 3.471 3.277 3.679 . 0 0 "[ . 1 . 2]" 3
595 1 47 ARG HB2 1 52 PHE QD . . 4.140 1.962 1.889 1.992 . 0 0 "[ . 1 . 2]" 3
596 1 47 ARG HB2 1 52 PHE HB3 . . 5.070 4.714 4.494 4.928 . 0 0 "[ . 1 . 2]" 3
597 1 47 ARG HB2 1 51 CYS HB2 . . 4.770 4.725 4.684 4.784 0.014 2 0 "[ . 1 . 2]" 3
598 1 39 VAL HB 1 40 VAL H . . 4.080 3.963 3.838 4.072 . 0 0 "[ . 1 . 2]" 3
599 1 39 VAL HB 1 46 TYR QD . . 4.640 4.455 4.356 4.570 . 0 0 "[ . 1 . 2]" 3
600 1 61 LEU HA 1 64 LYS HB3 . . 4.350 3.804 3.545 4.109 . 0 0 "[ . 1 . 2]" 3
601 1 49 PRO HA 1 52 PHE QD . . 5.500 5.410 5.356 5.491 . 0 0 "[ . 1 . 2]" 3
602 1 40 VAL HB 1 49 PRO HA . . 4.100 3.585 3.468 3.733 . 0 0 "[ . 1 . 2]" 3
603 1 62 LYS QE 1 63 GLN QG . . 5.420 5.387 5.195 5.444 0.024 6 0 "[ . 1 . 2]" 3
604 1 39 VAL HA 1 49 PRO HA . . 5.050 4.796 4.592 4.937 . 0 0 "[ . 1 . 2]" 3
605 1 63 GLN H 1 63 GLN QG . . 4.240 1.934 1.837 1.996 . 0 0 "[ . 1 . 2]" 3
606 1 63 GLN QG 1 64 LYS HA . . 4.290 3.699 3.569 3.968 . 0 0 "[ . 1 . 2]" 3
607 1 77 THR HA 1 80 ARG QD . . 4.290 3.499 2.884 4.049 . 0 0 "[ . 1 . 2]" 3
608 1 77 THR HA 1 80 ARG QB . . 3.720 3.149 3.089 3.226 . 0 0 "[ . 1 . 2]" 3
609 1 69 VAL HB 1 74 TYR QD . . 3.500 2.313 2.154 2.523 . 0 0 "[ . 1 . 2]" 3
610 1 69 VAL HB 1 79 ALA MB . . 4.930 4.854 4.678 4.961 0.031 19 0 "[ . 1 . 2]" 3
611 1 41 LYS HB2 1 46 TYR QD . . 4.480 2.640 2.549 2.787 . 0 0 "[ . 1 . 2]" 3
612 1 45 LYS HB2 1 46 TYR H . . 3.970 3.800 3.677 3.850 . 0 0 "[ . 1 . 2]" 3
613 1 45 LYS HB2 1 45 LYS QE . . 4.520 2.355 2.146 2.764 . 0 0 "[ . 1 . 2]" 3
614 1 45 LYS HB2 1 45 LYS HD3 . . 4.080 3.909 3.861 3.930 . 0 0 "[ . 1 . 2]" 3
615 1 45 LYS HB3 1 45 LYS QZ . . 4.550 3.761 1.868 4.088 . 0 0 "[ . 1 . 2]" 3
616 1 45 LYS HB3 1 45 LYS QE . . 4.260 2.718 2.562 3.249 . 0 0 "[ . 1 . 2]" 3
617 1 45 LYS HB3 1 46 TYR HB2 . . 5.500 5.052 4.952 5.089 . 0 0 "[ . 1 . 2]" 3
618 1 42 ALA MB 1 45 LYS HB3 . . 5.100 5.119 5.081 5.149 0.049 3 0 "[ . 1 . 2]" 3
619 1 45 LYS HB3 1 45 LYS HD3 . . 3.750 3.531 3.500 3.574 . 0 0 "[ . 1 . 2]" 3
620 1 41 LYS HB3 1 46 TYR QE . . 4.840 3.530 3.282 3.685 . 0 0 "[ . 1 . 2]" 3
621 1 33 SER QB 1 34 GLY H . . 3.610 3.437 3.218 3.656 0.046 4 0 "[ . 1 . 2]" 3
622 1 33 SER H 1 33 SER QB . . 3.110 2.536 2.329 2.615 . 0 0 "[ . 1 . 2]" 3
623 1 28 CYS H 1 33 SER QB . . 5.110 4.673 4.544 5.170 0.060 18 0 "[ . 1 . 2]" 3
624 1 31 CYS H 1 33 SER QB . . 5.500 4.683 4.534 5.022 . 0 0 "[ . 1 . 2]" 3
625 1 72 GLU HB3 1 73 LEU H . . 4.040 3.667 3.426 3.833 . 0 0 "[ . 1 . 2]" 3
626 1 55 ALA MB 1 72 GLU HB3 . . 4.360 3.998 3.773 4.148 . 0 0 "[ . 1 . 2]" 3
627 1 57 CYS HB2 1 78 HIS HE1 . . 3.730 3.706 3.648 3.732 0.002 4 0 "[ . 1 . 2]" 3
628 1 57 CYS HB3 1 58 ASN H . . 4.870 4.273 4.243 4.310 . 0 0 "[ . 1 . 2]" 3
629 1 40 VAL HB 1 41 LYS H . . 4.540 4.432 4.400 4.461 . 0 0 "[ . 1 . 2]" 3
630 1 40 VAL HB 1 52 PHE HB2 . . 4.580 2.972 2.846 3.072 . 0 0 "[ . 1 . 2]" 3
631 1 40 VAL HB 1 52 PHE QD . . 4.470 3.897 3.802 4.012 . 0 0 "[ . 1 . 2]" 3
632 1 39 VAL HA 1 40 VAL HB . . 4.760 4.521 4.457 4.589 . 0 0 "[ . 1 . 2]" 3
633 1 36 VAL H 1 36 VAL HB . . 3.640 3.193 2.763 3.574 . 0 0 "[ . 1 . 2]" 3
634 1 35 ILE HA 1 36 VAL HB . . 4.820 4.676 4.569 4.787 . 0 0 "[ . 1 . 2]" 3
635 1 25 MET HB3 1 26 PRO QD . . 3.920 3.490 3.399 4.036 0.116 3 0 "[ . 1 . 2]" 3
636 1 52 PHE QD 1 62 LYS HB2 . . 4.520 2.656 2.528 2.943 . 0 0 "[ . 1 . 2]" 3
637 1 62 LYS HB3 1 63 GLN H . . 4.590 2.227 2.136 2.296 . 0 0 "[ . 1 . 2]" 3
638 1 52 PHE QD 1 62 LYS HB3 . . 4.760 3.758 3.610 3.978 . 0 0 "[ . 1 . 2]" 3
639 1 54 CYS HB3 1 74 TYR HA . . 4.760 4.406 4.307 4.468 . 0 0 "[ . 1 . 2]" 3
640 1 54 CYS HB3 1 58 ASN HA . . 4.450 2.877 2.834 2.957 . 0 0 "[ . 1 . 2]" 3
641 1 54 CYS HB3 1 59 LEU HB2 . . 4.420 3.904 3.498 4.308 . 0 0 "[ . 1 . 2]" 3
642 1 54 CYS HB3 1 61 LEU MD2 . . 4.080 4.023 3.843 4.103 0.023 18 0 "[ . 1 . 2]" 3
643 1 54 CYS HB2 1 58 ASN HA . . 4.800 4.071 4.017 4.201 . 0 0 "[ . 1 . 2]" 3
644 1 54 CYS HB3 1 75 CYS H . . 4.400 4.251 4.111 4.350 . 0 0 "[ . 1 . 2]" 3
645 1 53 VAL HA 1 54 CYS HB3 . . 5.140 5.141 5.087 5.175 0.035 12 0 "[ . 1 . 2]" 3
646 1 54 CYS HB3 1 59 LEU HB3 . . 4.420 3.820 3.488 4.218 . 0 0 "[ . 1 . 2]" 3
647 1 54 CYS HB3 1 61 LEU MD1 . . 4.930 4.549 4.275 4.811 . 0 0 "[ . 1 . 2]" 3
648 1 53 VAL HA 1 54 CYS HB2 . . 4.570 4.543 4.526 4.565 . 0 0 "[ . 1 . 2]" 3
649 1 54 CYS HB2 1 75 CYS HA . . 4.750 4.204 4.062 4.282 . 0 0 "[ . 1 . 2]" 3
650 1 54 CYS HB2 1 61 LEU MD2 . . 3.670 2.502 2.361 2.614 . 0 0 "[ . 1 . 2]" 3
651 1 75 CYS H 1 75 CYS HB2 . . 3.940 3.614 3.596 3.631 . 0 0 "[ . 1 . 2]" 3
652 1 59 LEU HB2 1 75 CYS HB2 . . 5.190 4.917 4.511 5.236 0.046 12 0 "[ . 1 . 2]" 3
653 1 75 CYS HB2 1 76 GLU HB2 . . 5.500 4.475 4.301 4.759 . 0 0 "[ . 1 . 2]" 3
654 1 59 LEU HB3 1 75 CYS HB2 . . 5.190 3.852 3.597 3.974 . 0 0 "[ . 1 . 2]" 3
655 1 61 LEU MD1 1 75 CYS HB2 . . 5.380 5.161 4.872 5.378 . 0 0 "[ . 1 . 2]" 3
656 1 75 CYS H 1 75 CYS HB3 . . 3.800 2.710 2.684 2.744 . 0 0 "[ . 1 . 2]" 3
657 1 75 CYS HB3 1 76 GLU H . . 3.920 3.799 3.642 3.936 0.016 10 0 "[ . 1 . 2]" 3
658 1 61 LEU MD1 1 75 CYS HB3 . . 4.720 4.142 3.891 4.319 . 0 0 "[ . 1 . 2]" 3
659 1 25 MET HG2 1 35 ILE H . . 4.550 2.463 1.984 2.882 . 0 0 "[ . 1 . 2]" 3
660 1 25 MET H 1 25 MET HG3 . . 4.920 4.238 3.802 4.941 0.021 3 0 "[ . 1 . 2]" 3
661 1 25 MET HG3 1 34 GLY HA2 . . 4.650 3.895 3.511 4.108 . 0 0 "[ . 1 . 2]" 3
662 1 25 MET HG3 1 26 PRO QD . . 4.770 3.927 2.642 4.362 . 0 0 "[ . 1 . 2]" 3
663 1 25 MET HG3 1 34 GLY HA3 . . 4.960 3.874 3.423 4.180 . 0 0 "[ . 1 . 2]" 3
664 1 25 MET HG2 1 26 PRO HA . . 4.850 4.370 4.004 4.509 . 0 0 "[ . 1 . 2]" 3
665 1 26 PRO HB2 1 46 TYR QE . . 4.870 4.800 4.575 4.894 0.024 1 0 "[ . 1 . 2]" 3
666 1 26 PRO HB2 1 46 TYR HB2 . . 4.400 2.535 2.388 2.804 . 0 0 "[ . 1 . 2]" 3
667 1 26 PRO HB2 1 46 TYR HB3 . . 4.320 3.127 3.001 3.279 . 0 0 "[ . 1 . 2]" 3
668 1 26 PRO HB2 1 39 VAL MG1 . . 4.930 4.703 4.546 4.889 . 0 0 "[ . 1 . 2]" 3
669 1 26 PRO HB3 1 46 TYR QD . . 4.350 3.484 3.370 3.575 . 0 0 "[ . 1 . 2]" 3
670 1 26 PRO HB3 1 46 TYR HB2 . . 4.060 3.533 3.343 3.896 . 0 0 "[ . 1 . 2]" 3
671 1 26 PRO HB3 1 46 TYR HB3 . . 4.300 4.063 3.877 4.264 . 0 0 "[ . 1 . 2]" 3
672 1 26 PRO HB3 1 39 VAL MG2 . . 4.540 4.247 3.857 4.492 . 0 0 "[ . 1 . 2]" 3
673 1 26 PRO HB3 1 39 VAL MG1 . . 5.050 4.904 4.624 5.063 0.013 6 0 "[ . 1 . 2]" 3
674 1 26 PRO HB3 1 35 ILE MG . . 5.500 5.470 5.166 5.554 0.054 11 0 "[ . 1 . 2]" 3
675 1 26 PRO HB3 1 35 ILE MD . . 4.240 3.969 3.750 4.149 . 0 0 "[ . 1 . 2]" 3
676 1 48 HIS H 1 51 CYS HB3 . . 3.810 3.748 3.672 3.794 . 0 0 "[ . 1 . 2]" 3
677 1 47 ARG HD3 1 51 CYS HB3 . . 4.460 4.314 4.096 4.477 0.017 20 0 "[ . 1 . 2]" 3
678 1 48 HIS HB2 1 51 CYS HB3 . . 3.820 3.462 3.438 3.496 . 0 0 "[ . 1 . 2]" 3
679 1 30 LYS HB3 1 51 CYS HB3 . . 3.550 2.215 1.991 2.291 . 0 0 "[ . 1 . 2]" 3
680 1 47 ARG HB3 1 51 CYS HB3 . . 4.060 3.725 3.624 3.801 . 0 0 "[ . 1 . 2]" 3
681 1 30 LYS HB2 1 51 CYS HB3 . . 3.840 2.582 2.103 2.774 . 0 0 "[ . 1 . 2]" 3
682 1 30 LYS QG 1 51 CYS HB3 . . 3.910 2.009 1.953 2.475 . 0 0 "[ . 1 . 2]" 3
683 1 47 ARG HD3 1 51 CYS HB2 . . 4.580 4.533 4.241 4.644 0.064 20 0 "[ . 1 . 2]" 3
684 1 48 HIS HB2 1 51 CYS HB2 . . 3.530 1.965 1.941 1.988 . 0 0 "[ . 1 . 2]" 3
685 1 30 LYS HB3 1 51 CYS HB2 . . 4.020 3.311 3.230 3.393 . 0 0 "[ . 1 . 2]" 3
686 1 47 ARG HB3 1 51 CYS HB2 . . 3.960 3.206 3.170 3.245 . 0 0 "[ . 1 . 2]" 3
687 1 30 LYS HD3 1 51 CYS HB2 . . 4.520 4.462 4.130 4.581 0.061 20 0 "[ . 1 . 2]" 3
688 1 30 LYS HB2 1 51 CYS HB2 . . 4.290 3.868 3.420 4.036 . 0 0 "[ . 1 . 2]" 3
689 1 30 LYS QG 1 51 CYS HB2 . . 4.510 3.623 3.553 4.026 . 0 0 "[ . 1 . 2]" 3
690 1 49 PRO HB3 1 50 GLU H . . 4.430 4.383 4.376 4.391 . 0 0 "[ . 1 . 2]" 3
691 1 38 ALA MB 1 49 PRO HB3 . . 4.440 2.957 2.768 3.142 . 0 0 "[ . 1 . 2]" 3
692 1 49 PRO HB2 1 50 GLU H . . 3.770 3.750 3.738 3.764 . 0 0 "[ . 1 . 2]" 3
693 1 40 VAL MG2 1 49 PRO HB2 . . 4.410 3.828 3.690 3.941 . 0 0 "[ . 1 . 2]" 3
694 1 31 CYS HB2 1 33 SER H . . 5.070 4.429 4.169 4.511 . 0 0 "[ . 1 . 2]" 3
695 1 31 CYS H 1 31 CYS HB2 . . 3.740 3.740 3.696 3.764 0.024 16 0 "[ . 1 . 2]" 3
696 1 69 VAL MG2 1 82 ARG HB2 . . 3.840 2.130 1.932 2.384 . 0 0 "[ . 1 . 2]" 3
697 1 28 CYS HB3 1 29 ASP H . . 4.660 4.177 3.631 4.280 . 0 0 "[ . 1 . 2]" 3
698 1 28 CYS HB3 1 31 CYS H . . 3.560 2.846 2.720 3.308 . 0 0 "[ . 1 . 2]" 3
699 1 28 CYS HB3 1 48 HIS H . . 4.720 4.643 4.585 4.711 . 0 0 "[ . 1 . 2]" 3
700 1 28 CYS HB3 1 48 HIS HE1 . . 3.780 3.644 3.375 3.770 . 0 0 "[ . 1 . 2]" 3
701 1 28 CYS HB3 1 47 ARG HA . . 5.250 5.085 4.992 5.157 . 0 0 "[ . 1 . 2]" 3
702 1 27 LEU HA 1 28 CYS HB3 . . 4.800 4.718 4.634 4.761 . 0 0 "[ . 1 . 2]" 3
703 1 28 CYS HB3 1 35 ILE HG13 . . 4.160 4.018 3.886 4.156 . 0 0 "[ . 1 . 2]" 3
704 1 28 CYS HB3 1 35 ILE MD . . 3.750 3.575 3.402 3.740 . 0 0 "[ . 1 . 2]" 3
705 1 28 CYS HB3 1 35 ILE HG12 . . 4.380 4.243 4.177 4.324 . 0 0 "[ . 1 . 2]" 3
706 1 28 CYS HB2 1 29 ASP H . . 4.760 4.338 3.824 4.464 . 0 0 "[ . 1 . 2]" 3
707 1 28 CYS HB2 1 33 SER H . . 4.200 3.377 3.187 3.493 . 0 0 "[ . 1 . 2]" 3
708 1 28 CYS H 1 28 CYS HB2 . . 3.230 2.380 2.344 2.474 . 0 0 "[ . 1 . 2]" 3
709 1 28 CYS HB2 1 35 ILE HG13 . . 3.730 2.768 2.682 2.861 . 0 0 "[ . 1 . 2]" 3
710 1 28 CYS HB2 1 35 ILE HG12 . . 3.780 2.582 2.502 2.637 . 0 0 "[ . 1 . 2]" 3
711 1 78 HIS HA 1 80 ARG H . . 5.000 4.691 4.594 4.805 . 0 0 "[ . 1 . 2]" 3
712 1 78 HIS HA 1 81 ALA H . . 3.680 3.522 3.439 3.570 . 0 0 "[ . 1 . 2]" 3
713 1 78 HIS HA 1 78 HIS HD2 . . 3.110 2.464 2.418 2.530 . 0 0 "[ . 1 . 2]" 3
714 1 77 THR HB 1 78 HIS HA . . 4.330 4.208 4.154 4.246 . 0 0 "[ . 1 . 2]" 3
715 1 69 VAL HA 1 70 GLU H . . 3.400 2.161 2.141 2.233 . 0 0 "[ . 1 . 2]" 3
716 1 68 PHE HA 1 69 VAL HA . . 4.620 4.395 4.385 4.400 . 0 0 "[ . 1 . 2]" 3
717 1 69 VAL HA 1 69 VAL MG1 . . 2.860 2.407 2.287 2.473 . 0 0 "[ . 1 . 2]" 3
718 1 69 VAL HA 1 69 VAL MG2 . . 3.080 2.422 2.380 2.472 . 0 0 "[ . 1 . 2]" 3
719 1 26 PRO HA 1 27 LEU H . . 2.490 2.220 2.195 2.277 . 0 0 "[ . 1 . 2]" 3
720 1 12 VAL HA 1 12 VAL MG1 . . 3.730 2.684 2.223 3.204 . 0 0 "[ . 1 . 2]" 3
721 1 74 TYR QD 1 78 HIS HB3 . . 3.660 2.850 2.675 3.190 . 0 0 "[ . 1 . 2]" 3
722 1 74 TYR HB3 1 78 HIS HB3 . . 4.210 3.040 2.891 3.183 . 0 0 "[ . 1 . 2]" 3
723 1 78 HIS HB3 1 81 ALA MB . . 4.670 4.284 4.226 4.362 . 0 0 "[ . 1 . 2]" 3
724 1 56 ASP HB2 1 78 HIS HB2 . . 4.570 4.408 3.516 4.583 0.013 2 0 "[ . 1 . 2]" 3
725 1 83 THR HA 1 83 THR MG . . 3.230 3.197 3.185 3.206 . 0 0 "[ . 1 . 2]" 3
726 1 15 VAL HA 1 15 VAL MG1 . . 3.730 2.645 2.218 3.202 . 0 0 "[ . 1 . 2]" 3
727 1 36 VAL HA 1 36 VAL MG1 . . 3.270 2.787 2.312 3.192 . 0 0 "[ . 1 . 2]" 3
728 1 36 VAL HA 1 36 VAL MG2 . . 3.270 2.405 2.253 2.514 . 0 0 "[ . 1 . 2]" 3
729 1 67 PHE QE 1 76 GLU HB2 . . 3.920 3.471 3.127 3.697 . 0 0 "[ . 1 . 2]" 3
730 1 67 PHE QE 1 76 GLU HB3 . . 4.800 4.739 4.559 4.811 0.011 2 0 "[ . 1 . 2]" 3
731 1 13 THR HA 1 13 THR HB . . 2.480 2.471 2.427 2.616 0.136 14 0 "[ . 1 . 2]" 3
732 1 13 THR HA 1 13 THR MG . . 3.490 2.805 2.254 3.206 . 0 0 "[ . 1 . 2]" 3
733 1 40 VAL HA 1 41 LYS H . . 2.630 2.180 2.179 2.181 . 0 0 "[ . 1 . 2]" 3
734 1 40 VAL HA 1 41 LYS HB3 . . 4.600 4.380 4.355 4.391 . 0 0 "[ . 1 . 2]" 3
735 1 40 VAL HA 1 40 VAL MG1 . . 2.830 2.430 2.322 2.483 . 0 0 "[ . 1 . 2]" 3
736 1 48 HIS H 1 48 HIS HB3 . . 4.120 3.515 3.494 3.531 . 0 0 "[ . 1 . 2]" 3
737 1 48 HIS HB3 1 51 CYS HB2 . . 4.050 3.349 3.278 3.438 . 0 0 "[ . 1 . 2]" 3
738 1 48 HIS HB2 1 49 PRO HD3 . . 4.810 4.649 4.635 4.661 . 0 0 "[ . 1 . 2]" 3
739 1 48 HIS HB2 1 50 GLU H . . 4.350 3.376 3.311 3.433 . 0 0 "[ . 1 . 2]" 3
740 1 48 HIS HB2 1 49 PRO HD2 . . 4.280 3.546 3.522 3.563 . 0 0 "[ . 1 . 2]" 3
741 1 48 HIS HB2 1 50 GLU HG2 . . 5.000 3.546 3.372 3.779 . 0 0 "[ . 1 . 2]" 3
742 1 79 ALA H 1 80 ARG QB . . 4.730 4.712 4.672 4.751 0.021 5 0 "[ . 1 . 2]" 3
743 1 79 ALA MB 1 80 ARG QB . . 4.450 4.035 3.984 4.119 . 0 0 "[ . 1 . 2]" 3
744 1 80 ARG QB 1 83 THR MG . . 4.820 4.103 3.823 4.343 . 0 0 "[ . 1 . 2]" 3
745 1 41 LYS QD 1 46 TYR QD . . 4.780 3.528 3.445 3.643 . 0 0 "[ . 1 . 2]" 3
746 1 41 LYS HA 1 41 LYS QD . . 4.770 4.220 4.188 4.233 . 0 0 "[ . 1 . 2]" 3
747 1 62 LYS HA 1 62 LYS HD3 . . 4.510 3.677 2.590 4.188 . 0 0 "[ . 1 . 2]" 3
748 1 35 ILE HA 1 36 VAL H . . 2.890 2.146 2.140 2.162 . 0 0 "[ . 1 . 2]" 3
749 1 35 ILE HA 1 48 HIS HD2 . . 4.050 3.764 3.668 3.890 . 0 0 "[ . 1 . 2]" 3
750 1 35 ILE HA 1 35 ILE HG13 . . 3.750 2.841 2.787 2.904 . 0 0 "[ . 1 . 2]" 3
751 1 35 ILE HA 1 35 ILE HG12 . . 3.620 2.762 2.697 2.861 . 0 0 "[ . 1 . 2]" 3
752 1 82 ARG H 1 82 ARG HG2 . . 3.970 3.603 2.962 3.787 . 0 0 "[ . 1 . 2]" 3
753 1 82 ARG HA 1 82 ARG HG2 . . 3.610 2.823 2.737 2.892 . 0 0 "[ . 1 . 2]" 3
754 1 82 ARG H 1 82 ARG HG3 . . 3.970 2.188 1.973 2.379 . 0 0 "[ . 1 . 2]" 3
755 1 64 LYS HA 1 64 LYS HD2 . . 4.740 4.694 4.641 4.739 . 0 0 "[ . 1 . 2]" 3
756 1 61 LEU MD2 1 64 LYS HD2 . . 4.650 3.601 3.365 3.920 . 0 0 "[ . 1 . 2]" 3
757 1 64 LYS HA 1 64 LYS HD3 . . 4.740 4.295 4.188 4.395 . 0 0 "[ . 1 . 2]" 3
758 1 61 LEU MD2 1 64 LYS HD3 . . 4.650 4.338 4.022 4.664 0.014 13 0 "[ . 1 . 2]" 3
759 1 49 PRO HG2 1 50 GLU H . . 5.070 2.965 2.945 2.988 . 0 0 "[ . 1 . 2]" 3
760 1 48 HIS HA 1 49 PRO HG2 . . 4.670 4.629 4.617 4.639 . 0 0 "[ . 1 . 2]" 3
761 1 30 LYS HD2 1 51 CYS HA . . 5.500 5.433 5.279 5.496 . 0 0 "[ . 1 . 2]" 3
762 1 30 LYS HD2 1 51 CYS HB3 . . 4.330 4.029 3.753 4.181 . 0 0 "[ . 1 . 2]" 3
763 1 30 LYS HD3 1 51 CYS HB3 . . 4.070 2.867 2.737 2.976 . 0 0 "[ . 1 . 2]" 3
764 1 30 LYS HD3 1 53 VAL MG2 . . 3.580 2.994 2.842 3.101 . 0 0 "[ . 1 . 2]" 3
765 1 67 PHE QE 1 76 GLU HA . . 3.480 2.783 2.603 2.871 . 0 0 "[ . 1 . 2]" 3
766 1 76 GLU HA 1 76 GLU HG3 . . 3.670 2.524 2.309 2.691 . 0 0 "[ . 1 . 2]" 3
767 1 67 PHE HB2 1 76 GLU HA . . 4.740 4.654 4.409 4.791 0.051 4 0 "[ . 1 . 2]" 3
768 1 63 GLN HB3 1 64 LYS H . . 4.700 4.015 3.966 4.079 . 0 0 "[ . 1 . 2]" 3
769 1 63 GLN HB3 1 64 LYS HG3 . . 5.490 5.186 5.065 5.366 . 0 0 "[ . 1 . 2]" 3
770 1 48 HIS HB3 1 50 GLU QB . . 4.730 4.295 4.230 4.357 . 0 0 "[ . 1 . 2]" 3
771 1 45 LYS HA 1 45 LYS HD2 . . 4.200 3.951 3.882 4.070 . 0 0 "[ . 1 . 2]" 3
772 1 45 LYS HD2 1 45 LYS HG2 . . 2.860 2.513 2.460 2.556 . 0 0 "[ . 1 . 2]" 3
773 1 45 LYS HD3 1 46 TYR H . . 5.080 5.044 5.006 5.123 0.043 13 0 "[ . 1 . 2]" 3
774 1 45 LYS HA 1 45 LYS HD3 . . 4.630 4.461 4.426 4.536 . 0 0 "[ . 1 . 2]" 3
775 1 45 LYS HD3 1 45 LYS HG2 . . 2.870 2.377 2.342 2.424 . 0 0 "[ . 1 . 2]" 3
776 1 47 ARG HG2 1 52 PHE QD . . 4.310 3.657 3.549 3.785 . 0 0 "[ . 1 . 2]" 3
777 1 47 ARG HG2 1 52 PHE HA . . 5.440 5.193 5.089 5.320 . 0 0 "[ . 1 . 2]" 3
778 1 42 ALA MB 1 47 ARG HG2 . . 5.500 5.392 5.105 5.501 0.001 12 0 "[ . 1 . 2]" 3
779 1 47 ARG HG3 1 52 PHE QD . . 4.160 2.232 2.086 2.399 . 0 0 "[ . 1 . 2]" 3
780 1 70 GLU HB3 1 71 GLY H . . 4.790 4.448 4.404 4.668 . 0 0 "[ . 1 . 2]" 3
781 1 39 VAL HA 1 40 VAL H . . 2.630 2.389 2.314 2.449 . 0 0 "[ . 1 . 2]" 3
782 1 39 VAL HA 1 49 PRO HD3 . . 3.620 2.579 2.411 2.731 . 0 0 "[ . 1 . 2]" 3
783 1 38 ALA MB 1 39 VAL HA . . 4.020 3.978 3.940 4.025 0.005 14 0 "[ . 1 . 2]" 3
784 1 43 ARG HB2 1 44 ASP H . . 3.370 2.696 1.968 3.385 0.015 7 0 "[ . 1 . 2]" 3
785 1 43 ARG HB3 1 44 ASP H . . 3.370 2.068 1.730 2.628 . 0 0 "[ . 1 . 2]" 3
786 1 43 ARG HG2 1 44 ASP H . . 4.670 3.968 3.094 4.587 . 0 0 "[ . 1 . 2]" 3
787 1 51 CYS HA 1 53 VAL H . . 5.390 5.118 5.105 5.157 . 0 0 "[ . 1 . 2]" 3
788 1 48 HIS HB2 1 51 CYS HA . . 4.360 4.289 4.258 4.306 . 0 0 "[ . 1 . 2]" 3
789 1 30 LYS HB3 1 51 CYS HA . . 4.580 4.500 3.988 4.637 0.057 2 0 "[ . 1 . 2]" 3
790 1 30 LYS HD3 1 51 CYS HA . . 3.890 3.901 3.799 3.953 0.063 7 0 "[ . 1 . 2]" 3
791 1 30 LYS QG 1 51 CYS HA . . 4.210 3.073 2.924 3.189 . 0 0 "[ . 1 . 2]" 3
792 1 62 LYS HA 1 64 LYS H . . 5.060 4.880 4.798 5.057 . 0 0 "[ . 1 . 2]" 3
793 1 52 PHE QD 1 62 LYS HA . . 3.850 1.996 1.959 2.079 . 0 0 "[ . 1 . 2]" 3
794 1 52 PHE QE 1 62 LYS HA . . 3.340 2.706 2.542 2.864 . 0 0 "[ . 1 . 2]" 3
795 1 62 LYS HA 1 62 LYS HD2 . . 4.510 2.721 2.214 3.868 . 0 0 "[ . 1 . 2]" 3
796 1 62 LYS HA 1 62 LYS HG2 . . 3.970 3.912 3.868 3.953 . 0 0 "[ . 1 . 2]" 3
797 1 43 ARG HG3 1 44 ASP H . . 4.670 4.318 2.869 4.454 . 0 0 "[ . 1 . 2]" 3
798 1 43 ARG HA 1 43 ARG HG3 . . 3.780 2.451 2.196 2.756 . 0 0 "[ . 1 . 2]" 3
799 1 25 MET HA 1 26 PRO HG2 . . 4.740 4.486 4.279 4.524 . 0 0 "[ . 1 . 2]" 3
800 1 26 PRO HG2 1 46 TYR QD . . 4.820 3.917 3.711 4.258 . 0 0 "[ . 1 . 2]" 3
801 1 25 MET HG2 1 26 PRO HG2 . . 5.220 4.392 3.905 4.796 . 0 0 "[ . 1 . 2]" 3
802 1 26 PRO HG2 1 46 TYR HB3 . . 5.500 4.001 3.684 4.355 . 0 0 "[ . 1 . 2]" 3
803 1 24 ARG HA 1 24 ARG HG2 . . 4.040 3.204 2.487 3.932 . 0 0 "[ . 1 . 2]" 3
804 1 26 PRO HG3 1 39 VAL MG2 . . 4.000 3.030 2.768 3.255 . 0 0 "[ . 1 . 2]" 3
805 1 26 PRO HG3 1 46 TYR QD . . 4.600 2.900 2.673 3.185 . 0 0 "[ . 1 . 2]" 3
806 1 25 MET HA 1 26 PRO HG3 . . 4.560 4.455 4.335 4.481 . 0 0 "[ . 1 . 2]" 3
807 1 26 PRO HG3 1 35 ILE MD . . 4.390 3.722 3.466 3.968 . 0 0 "[ . 1 . 2]" 3
808 1 80 ARG HA 1 83 THR HB . . 5.340 5.071 4.717 5.352 0.012 4 0 "[ . 1 . 2]" 3
809 1 80 ARG HA 1 80 ARG QD . . 4.090 3.990 3.749 4.096 0.006 5 0 "[ . 1 . 2]" 3
810 1 80 ARG HA 1 80 ARG HG2 . . 3.550 2.351 2.169 2.573 . 0 0 "[ . 1 . 2]" 3
811 1 80 ARG HA 1 80 ARG HG3 . . 3.550 2.864 2.582 3.102 . 0 0 "[ . 1 . 2]" 3
812 1 80 ARG HA 1 83 THR MG . . 3.750 2.337 2.117 2.554 . 0 0 "[ . 1 . 2]" 3
813 1 27 LEU HA 1 27 LEU HG . . 4.250 3.673 3.660 3.685 . 0 0 "[ . 1 . 2]" 3
814 1 73 LEU HA 1 73 LEU HG . . 4.110 2.470 2.422 2.568 . 0 0 "[ . 1 . 2]" 3
815 1 61 LEU MD1 1 73 LEU HG . . 4.420 4.159 3.987 4.413 . 0 0 "[ . 1 . 2]" 3
816 1 54 CYS HA 1 75 CYS H . . 3.920 3.822 3.753 3.923 0.003 10 0 "[ . 1 . 2]" 3
817 1 54 CYS HA 1 74 TYR QD . . 4.770 4.462 4.331 4.600 . 0 0 "[ . 1 . 2]" 3
818 1 54 CYS HA 1 61 LEU MD2 . . 4.220 3.207 3.014 3.434 . 0 0 "[ . 1 . 2]" 3
819 1 31 CYS HA 1 31 CYS HB2 . . 2.980 2.433 2.414 2.455 . 0 0 "[ . 1 . 2]" 3
820 1 31 CYS HA 1 31 CYS HB3 . . 2.980 2.474 2.452 2.493 . 0 0 "[ . 1 . 2]" 3
821 1 30 LYS QG 1 31 CYS HA . . 4.280 3.853 3.713 4.268 . 0 0 "[ . 1 . 2]" 3
822 1 83 THR MG 1 84 SER HA . . 4.630 3.534 3.266 4.130 . 0 0 "[ . 1 . 2]" 3
823 1 50 GLU HA 1 60 ASN HD21 . . 4.270 4.112 3.612 4.344 0.074 14 0 "[ . 1 . 2]" 3
824 1 50 GLU HA 1 52 PHE H . . 4.450 4.207 4.072 4.315 . 0 0 "[ . 1 . 2]" 3
825 1 50 GLU HA 1 60 ASN HD22 . . 4.270 3.283 2.826 3.763 . 0 0 "[ . 1 . 2]" 3
826 1 50 GLU HA 1 52 PHE HB3 . . 5.270 5.179 5.037 5.296 0.026 13 0 "[ . 1 . 2]" 3
827 1 50 GLU HA 1 50 GLU HG3 . . 4.010 3.801 3.688 3.907 . 0 0 "[ . 1 . 2]" 3
828 1 50 GLU HA 1 50 GLU QB . . 2.750 2.179 2.176 2.180 . 0 0 "[ . 1 . 2]" 3
829 1 50 GLU HA 1 53 VAL MG1 . . 4.440 4.344 4.230 4.435 . 0 0 "[ . 1 . 2]" 3
830 1 57 CYS HA 1 57 CYS HB2 . . 2.840 2.494 2.484 2.515 . 0 0 "[ . 1 . 2]" 3
831 1 57 CYS HA 1 58 ASN HB2 . . 4.320 4.260 4.190 4.342 0.022 11 0 "[ . 1 . 2]" 3
832 1 57 CYS HA 1 57 CYS HB3 . . 2.950 2.413 2.396 2.423 . 0 0 "[ . 1 . 2]" 3
833 1 56 ASP HB3 1 57 CYS HA . . 4.760 4.360 4.297 4.411 . 0 0 "[ . 1 . 2]" 3
834 1 28 CYS HB2 1 48 HIS HA . . 5.160 4.723 4.540 4.914 . 0 0 "[ . 1 . 2]" 3
835 1 48 HIS HA 1 50 GLU H . . 4.700 3.993 3.980 4.005 . 0 0 "[ . 1 . 2]" 3
836 1 40 VAL H 1 48 HIS HA . . 4.610 3.469 3.339 3.558 . 0 0 "[ . 1 . 2]" 3
837 1 48 HIS HA 1 48 HIS HD2 . . 3.790 2.350 2.297 2.444 . 0 0 "[ . 1 . 2]" 3
838 1 48 HIS HA 1 49 PRO HD3 . . 2.920 2.364 2.357 2.371 . 0 0 "[ . 1 . 2]" 3
839 1 48 HIS HA 1 49 PRO HD2 . . 3.080 2.542 2.528 2.554 . 0 0 "[ . 1 . 2]" 3
840 1 48 HIS HA 1 49 PRO HG3 . . 4.670 4.563 4.553 4.572 . 0 0 "[ . 1 . 2]" 3
841 1 38 ALA MB 1 48 HIS HA . . 5.500 5.035 4.921 5.137 . 0 0 "[ . 1 . 2]" 3
842 1 40 VAL HB 1 48 HIS HA . . 5.500 4.529 4.437 4.634 . 0 0 "[ . 1 . 2]" 3
843 1 35 ILE HG12 1 48 HIS HA . . 4.660 3.752 3.609 3.872 . 0 0 "[ . 1 . 2]" 3
844 1 43 ARG HA 1 43 ARG HD3 . . 4.660 4.521 3.966 4.643 . 0 0 "[ . 1 . 2]" 3
845 1 43 ARG HA 1 43 ARG HG2 . . 3.780 2.884 2.584 3.802 0.022 7 0 "[ . 1 . 2]" 3
846 1 59 LEU HG 1 61 LEU MD2 . . 5.290 4.438 3.317 5.317 0.027 13 0 "[ . 1 . 2]" 3
847 1 60 ASN HA 1 61 LEU HG . . 4.780 3.822 3.712 3.932 . 0 0 "[ . 1 . 2]" 3
848 1 54 CYS HA 1 61 LEU HG . . 4.880 3.642 3.438 3.874 . 0 0 "[ . 1 . 2]" 3
849 1 35 ILE H 1 35 ILE HG12 . . 4.040 3.988 3.859 4.072 0.032 13 0 "[ . 1 . 2]" 3
850 1 30 LYS HA 1 30 LYS HD3 . . 4.120 3.899 3.680 4.023 . 0 0 "[ . 1 . 2]" 3
851 1 61 LEU H 1 61 LEU MD1 . . 3.860 3.688 3.530 3.845 . 0 0 "[ . 1 . 2]" 3
852 1 54 CYS H 1 61 LEU MD1 . . 3.690 3.440 3.087 3.734 0.044 1 0 "[ . 1 . 2]" 3
853 1 61 LEU MD1 1 66 TYR QD . . 4.580 4.344 4.016 4.560 . 0 0 "[ . 1 . 2]" 3
854 1 52 PHE QD 1 61 LEU MD1 . . 4.540 4.260 4.019 4.521 . 0 0 "[ . 1 . 2]" 3
855 1 52 PHE QE 1 61 LEU MD1 . . 4.370 3.981 3.750 4.207 . 0 0 "[ . 1 . 2]" 3
856 1 53 VAL H 1 61 LEU MD1 . . 4.550 3.470 3.097 3.830 . 0 0 "[ . 1 . 2]" 3
857 1 53 VAL HA 1 61 LEU MD1 . . 3.480 3.234 2.960 3.489 0.009 7 0 "[ . 1 . 2]" 3
858 1 61 LEU MD1 1 73 LEU HA . . 4.300 3.925 3.681 4.253 . 0 0 "[ . 1 . 2]" 3
859 1 54 CYS HA 1 61 LEU MD1 . . 3.290 2.321 1.974 2.646 . 0 0 "[ . 1 . 2]" 3
860 1 61 LEU MD1 1 74 TYR HB3 . . 5.150 4.849 4.557 5.153 0.003 18 0 "[ . 1 . 2]" 3
861 1 54 CYS HB2 1 61 LEU MD1 . . 3.780 3.486 3.292 3.745 . 0 0 "[ . 1 . 2]" 3
862 1 61 LEU MD1 1 66 TYR QB . . 3.200 2.706 2.335 3.024 . 0 0 "[ . 1 . 2]" 3
863 1 61 LEU HB3 1 61 LEU MD1 . . 2.980 2.385 2.328 2.481 . 0 0 "[ . 1 . 2]" 3
864 1 61 LEU MD1 1 73 LEU HB3 . . 3.390 2.122 1.946 2.361 . 0 0 "[ . 1 . 2]" 3
865 1 30 LYS HA 1 30 LYS HD2 . . 3.720 2.607 2.532 2.657 . 0 0 "[ . 1 . 2]" 3
866 1 59 LEU HA 1 59 LEU MD2 . . 4.100 3.224 2.347 3.964 . 0 0 "[ . 1 . 2]" 3
867 1 59 LEU HB2 1 59 LEU MD2 . . 3.430 2.819 2.300 3.194 . 0 0 "[ . 1 . 2]" 3
868 1 59 LEU HB3 1 59 LEU MD2 . . 3.430 2.276 2.145 2.421 . 0 0 "[ . 1 . 2]" 3
869 1 63 GLN HA 1 63 GLN QG . . 3.360 3.326 3.298 3.424 0.064 16 0 "[ . 1 . 2]" 3
870 1 33 SER HA 1 34 GLY H . . 2.860 2.153 2.142 2.172 . 0 0 "[ . 1 . 2]" 3
871 1 33 SER HA 1 34 GLY HA3 . . 4.470 4.398 4.384 4.415 . 0 0 "[ . 1 . 2]" 3
872 1 82 ARG HA 1 83 THR HA . . 4.920 4.674 4.493 4.797 . 0 0 "[ . 1 . 2]" 3
873 1 82 ARG HA 1 82 ARG HD2 . . 4.950 4.756 4.527 5.041 0.091 20 0 "[ . 1 . 2]" 3
874 1 82 ARG HA 1 82 ARG HG3 . . 3.610 2.922 2.796 3.404 . 0 0 "[ . 1 . 2]" 3
875 1 82 ARG HA 1 83 THR MG . . 5.220 5.061 4.865 5.312 0.092 14 0 "[ . 1 . 2]" 3
876 1 69 VAL MG1 1 82 ARG HA . . 4.410 4.113 3.600 4.419 0.009 5 0 "[ . 1 . 2]" 3
877 1 68 PHE HA 1 69 VAL H . . 2.730 2.177 2.172 2.178 . 0 0 "[ . 1 . 2]" 3
878 1 68 PHE HA 1 74 TYR H . . 4.550 4.379 4.203 4.491 . 0 0 "[ . 1 . 2]" 3
879 1 68 PHE HA 1 68 PHE QD . . 3.460 2.577 2.309 3.028 . 0 0 "[ . 1 . 2]" 3
880 1 68 PHE HA 1 73 LEU HA . . 3.490 2.829 2.679 2.950 . 0 0 "[ . 1 . 2]" 3
881 1 68 PHE HA 1 69 VAL HB . . 4.890 4.758 4.715 4.855 . 0 0 "[ . 1 . 2]" 3
882 1 68 PHE HA 1 69 VAL MG2 . . 3.860 3.819 3.743 3.865 0.005 10 0 "[ . 1 . 2]" 3
883 1 68 PHE HA 1 73 LEU MD2 . . 3.840 3.654 3.332 3.867 0.027 19 0 "[ . 1 . 2]" 3
884 1 67 PHE HA 1 68 PHE HA . . 4.670 4.468 4.425 4.549 . 0 0 "[ . 1 . 2]" 3
885 1 75 CYS HA 1 76 GLU H . . 2.980 2.375 2.286 2.493 . 0 0 "[ . 1 . 2]" 3
886 1 67 PHE H 1 75 CYS HA . . 4.870 4.693 4.442 4.886 0.016 15 0 "[ . 1 . 2]" 3
887 1 67 PHE QD 1 75 CYS HA . . 4.270 4.176 4.077 4.262 . 0 0 "[ . 1 . 2]" 3
888 1 75 CYS HA 1 75 CYS HB2 . . 2.960 2.472 2.457 2.489 . 0 0 "[ . 1 . 2]" 3
889 1 75 CYS HA 1 76 GLU HA . . 4.480 4.292 4.290 4.296 . 0 0 "[ . 1 . 2]" 3
890 1 66 TYR QB 1 75 CYS HA . . 5.450 5.324 5.226 5.454 0.004 14 0 "[ . 1 . 2]" 3
891 1 75 CYS HA 1 76 GLU HB2 . . 4.640 4.530 4.435 4.629 . 0 0 "[ . 1 . 2]" 3
892 1 61 LEU MD1 1 75 CYS HA . . 3.750 3.422 3.021 3.758 0.008 12 0 "[ . 1 . 2]" 3
893 1 67 PHE HA 1 68 PHE H . . 2.810 2.418 2.326 2.566 . 0 0 "[ . 1 . 2]" 3
894 1 74 TYR HA 1 75 CYS H . . 2.920 2.340 2.286 2.403 . 0 0 "[ . 1 . 2]" 3
895 1 55 ALA H 1 74 TYR HA . . 3.410 2.765 2.608 2.848 . 0 0 "[ . 1 . 2]" 3
896 1 74 TYR HA 1 74 TYR QD . . 3.400 2.718 2.606 2.785 . 0 0 "[ . 1 . 2]" 3
897 1 54 CYS HA 1 74 TYR HA . . 2.990 2.620 2.491 2.724 . 0 0 "[ . 1 . 2]" 3
898 1 54 CYS HB2 1 74 TYR HA . . 4.010 3.662 3.505 3.728 . 0 0 "[ . 1 . 2]" 3
899 1 55 ALA MB 1 74 TYR HA . . 4.350 3.973 3.811 4.089 . 0 0 "[ . 1 . 2]" 3
900 1 74 TYR HA 1 79 ALA MB . . 4.720 4.151 3.922 4.329 . 0 0 "[ . 1 . 2]" 3
901 1 61 LEU MD1 1 74 TYR HA . . 4.170 3.068 2.767 3.355 . 0 0 "[ . 1 . 2]" 3
902 1 67 PHE HA 1 67 PHE QD . . 3.550 2.999 2.948 3.028 . 0 0 "[ . 1 . 2]" 3
903 1 66 TYR QD 1 67 PHE HA . . 3.940 3.283 3.088 3.533 . 0 0 "[ . 1 . 2]" 3
904 1 67 PHE HA 1 79 ALA MB . . 4.210 4.015 3.955 4.181 . 0 0 "[ . 1 . 2]" 3
905 1 70 GLU HA 1 71 GLY H . . 3.490 2.791 2.705 2.867 . 0 0 "[ . 1 . 2]" 3
906 1 69 VAL HA 1 70 GLU HA . . 4.430 4.373 4.364 4.385 . 0 0 "[ . 1 . 2]" 3
907 1 70 GLU HA 1 71 GLY HA2 . . 4.870 4.719 4.673 4.790 . 0 0 "[ . 1 . 2]" 3
908 1 69 VAL MG1 1 70 GLU HA . . 4.230 4.071 3.652 4.211 . 0 0 "[ . 1 . 2]" 3
909 1 62 LYS H 1 62 LYS HG2 . . 4.640 4.573 4.510 4.629 . 0 0 "[ . 1 . 2]" 3
910 1 62 LYS QE 1 62 LYS HG2 . . 3.440 2.782 2.054 3.383 . 0 0 "[ . 1 . 2]" 3
911 1 63 GLN H 1 64 LYS HG3 . . 5.030 4.181 3.863 4.494 . 0 0 "[ . 1 . 2]" 3
912 1 64 LYS H 1 64 LYS HG3 . . 4.040 2.268 2.077 2.461 . 0 0 "[ . 1 . 2]" 3
913 1 62 LYS H 1 62 LYS HG3 . . 4.640 4.354 4.209 4.427 . 0 0 "[ . 1 . 2]" 3
914 1 62 LYS HA 1 62 LYS HG3 . . 3.970 3.090 2.856 3.237 . 0 0 "[ . 1 . 2]" 3
915 1 62 LYS HG3 1 63 GLN QG . . 4.390 3.956 3.713 4.104 . 0 0 "[ . 1 . 2]" 3
916 1 45 LYS QE 1 45 LYS HG3 . . 3.730 2.497 2.191 2.737 . 0 0 "[ . 1 . 2]" 3
917 1 41 LYS HG3 1 42 ALA H . . 4.150 3.444 3.265 3.587 . 0 0 "[ . 1 . 2]" 3
918 1 41 LYS HG3 1 46 TYR QD . . 4.730 3.936 3.843 4.152 . 0 0 "[ . 1 . 2]" 3
919 1 41 LYS HG3 1 46 TYR QE . . 4.450 3.818 3.659 4.016 . 0 0 "[ . 1 . 2]" 3
920 1 41 LYS HA 1 41 LYS HG3 . . 3.940 3.095 3.010 3.141 . 0 0 "[ . 1 . 2]" 3
921 1 41 LYS HG3 1 44 ASP HA . . 4.960 3.721 3.606 3.865 . 0 0 "[ . 1 . 2]" 3
922 1 41 LYS HG2 1 46 TYR QD . . 5.220 5.023 4.960 5.181 . 0 0 "[ . 1 . 2]" 3
923 1 41 LYS HG2 1 46 TYR QE . . 5.060 4.814 4.730 4.910 . 0 0 "[ . 1 . 2]" 3
924 1 41 LYS HG2 1 42 ALA HA . . 5.140 3.909 3.843 3.999 . 0 0 "[ . 1 . 2]" 3
925 1 41 LYS HG2 1 42 ALA H . . 4.120 3.374 3.234 3.535 . 0 0 "[ . 1 . 2]" 3
926 1 73 LEU H 1 73 LEU MD1 . . 4.260 3.607 3.443 3.769 . 0 0 "[ . 1 . 2]" 3
927 1 68 PHE QE 1 73 LEU MD1 . . 4.180 3.345 2.844 3.665 . 0 0 "[ . 1 . 2]" 3
928 1 68 PHE QD 1 73 LEU MD1 . . 4.740 4.551 4.213 4.777 0.037 19 0 "[ . 1 . 2]" 3
929 1 52 PHE QD 1 73 LEU MD1 . . 3.470 2.931 2.777 3.161 . 0 0 "[ . 1 . 2]" 3
930 1 52 PHE QE 1 73 LEU MD1 . . 3.420 1.897 1.812 1.955 . 0 0 "[ . 1 . 2]" 3
931 1 52 PHE HZ 1 73 LEU MD1 . . 4.540 3.163 3.083 3.400 . 0 0 "[ . 1 . 2]" 3
932 1 66 TYR HA 1 73 LEU MD1 . . 5.500 5.497 5.349 5.566 0.066 16 0 "[ . 1 . 2]" 3
933 1 47 ARG HD2 1 73 LEU MD1 . . 4.380 3.662 3.451 3.791 . 0 0 "[ . 1 . 2]" 3
934 1 66 TYR QB 1 73 LEU MD1 . . 3.780 3.728 3.587 3.824 0.044 12 0 "[ . 1 . 2]" 3
935 1 45 LYS HB3 1 73 LEU MD1 . . 4.810 4.726 4.507 4.846 0.036 6 0 "[ . 1 . 2]" 3
936 1 47 ARG HG2 1 73 LEU MD1 . . 4.080 3.866 3.724 3.951 . 0 0 "[ . 1 . 2]" 3
937 1 73 LEU HB2 1 73 LEU MD1 . . 3.190 2.038 1.976 2.137 . 0 0 "[ . 1 . 2]" 3
938 1 45 LYS HG2 1 68 PHE QE . . 5.500 5.481 5.167 5.554 0.054 17 0 "[ . 1 . 2]" 3
939 1 45 LYS HG3 1 46 TYR H . . 4.750 4.682 4.601 4.743 . 0 0 "[ . 1 . 2]" 3
940 1 45 LYS HG3 1 45 LYS QZ . . 3.920 2.656 1.873 3.615 . 0 0 "[ . 1 . 2]" 3
941 1 45 LYS HG3 1 68 PHE QE . . 4.580 4.174 3.627 4.357 . 0 0 "[ . 1 . 2]" 3
942 1 45 LYS HA 1 45 LYS HG3 . . 3.700 3.132 3.043 3.188 . 0 0 "[ . 1 . 2]" 3
943 1 27 LEU MD1 1 34 GLY H . . 4.270 3.196 2.873 3.433 . 0 0 "[ . 1 . 2]" 3
944 1 27 LEU MD1 1 33 SER H . . 4.530 2.553 2.388 2.913 . 0 0 "[ . 1 . 2]" 3
945 1 27 LEU MD1 1 28 CYS H . . 3.490 2.449 2.267 2.538 . 0 0 "[ . 1 . 2]" 3
946 1 27 LEU MD1 1 33 SER HA . . 4.270 2.882 2.655 3.032 . 0 0 "[ . 1 . 2]" 3
947 1 27 LEU HA 1 27 LEU MD1 . . 3.570 2.528 2.419 2.615 . 0 0 "[ . 1 . 2]" 3
948 1 27 LEU MD1 1 32 GLY HA3 . . 3.960 2.696 2.616 2.821 . 0 0 "[ . 1 . 2]" 3
949 1 27 LEU MD1 1 32 GLY HA2 . . 3.950 1.831 1.773 1.916 . 0 0 "[ . 1 . 2]" 3
950 1 27 LEU MD1 1 34 GLY HA3 . . 4.540 4.443 4.251 4.565 0.025 14 0 "[ . 1 . 2]" 3
951 1 53 VAL HA 1 61 LEU H . . 3.350 2.316 2.084 2.590 . 0 0 "[ . 1 . 2]" 3
952 1 53 VAL HA 1 54 CYS H . . 2.890 2.514 2.472 2.557 . 0 0 "[ . 1 . 2]" 3
953 1 53 VAL HA 1 60 ASN HA . . 3.120 2.665 2.361 2.924 . 0 0 "[ . 1 . 2]" 3
954 1 53 VAL HA 1 61 LEU HG . . 3.290 2.177 1.990 2.362 . 0 0 "[ . 1 . 2]" 3
955 1 53 VAL HA 1 61 LEU MD2 . . 4.120 3.653 3.341 3.838 . 0 0 "[ . 1 . 2]" 3
956 1 46 TYR HA 1 47 ARG H . . 2.750 2.253 2.231 2.275 . 0 0 "[ . 1 . 2]" 3
957 1 42 ALA H 1 46 TYR HA . . 3.740 3.683 3.527 3.767 0.027 19 0 "[ . 1 . 2]" 3
958 1 46 TYR HA 1 46 TYR QD . . 3.560 3.189 3.170 3.208 . 0 0 "[ . 1 . 2]" 3
959 1 41 LYS HA 1 46 TYR HA . . 3.220 2.051 1.955 2.160 . 0 0 "[ . 1 . 2]" 3
960 1 41 LYS HB2 1 46 TYR HA . . 4.390 2.440 2.340 2.622 . 0 0 "[ . 1 . 2]" 3
961 1 73 LEU MD2 1 74 TYR H . . 3.850 2.460 2.338 2.565 . 0 0 "[ . 1 . 2]" 3
962 1 68 PHE QE 1 73 LEU MD2 . . 3.890 3.246 2.149 3.596 . 0 0 "[ . 1 . 2]" 3
963 1 68 PHE QD 1 73 LEU MD2 . . 3.830 3.555 2.857 3.902 0.072 7 0 "[ . 1 . 2]" 3
964 1 66 TYR QD 1 73 LEU MD2 . . 3.260 2.156 2.028 2.257 . 0 0 "[ . 1 . 2]" 3
965 1 52 PHE QE 1 73 LEU MD2 . . 3.610 2.991 2.805 3.162 . 0 0 "[ . 1 . 2]" 3
966 1 73 LEU HA 1 73 LEU MD2 . . 3.120 2.486 2.318 2.628 . 0 0 "[ . 1 . 2]" 3
967 1 67 PHE HB3 1 73 LEU MD2 . . 5.290 4.665 4.386 4.813 . 0 0 "[ . 1 . 2]" 3
968 1 66 TYR QB 1 73 LEU MD2 . . 3.590 2.014 1.839 2.207 . 0 0 "[ . 1 . 2]" 3
969 1 73 LEU HB2 1 73 LEU MD2 . . 3.660 3.136 3.115 3.158 . 0 0 "[ . 1 . 2]" 3
970 1 56 ASP HA 1 74 TYR QE . . 4.620 3.922 3.582 4.254 . 0 0 "[ . 1 . 2]" 3
971 1 56 ASP HA 1 56 ASP HB3 . . 3.000 2.972 2.720 3.010 0.010 5 0 "[ . 1 . 2]" 3
972 1 55 ALA MB 1 56 ASP HA . . 4.190 4.086 4.034 4.141 . 0 0 "[ . 1 . 2]" 3
973 1 52 PHE HA 1 52 PHE QD . . 3.270 2.062 2.012 2.114 . 0 0 "[ . 1 . 2]" 3
974 1 47 ARG HB3 1 52 PHE HA . . 4.330 3.034 2.916 3.123 . 0 0 "[ . 1 . 2]" 3
975 1 47 ARG HG3 1 52 PHE HA . . 4.040 3.794 3.677 3.933 . 0 0 "[ . 1 . 2]" 3
976 1 47 ARG HB2 1 52 PHE HA . . 4.310 3.506 3.420 3.601 . 0 0 "[ . 1 . 2]" 3
977 1 52 PHE HA 1 53 VAL MG2 . . 3.980 3.973 3.915 4.006 0.026 10 0 "[ . 1 . 2]" 3
978 1 52 PHE HA 1 73 LEU MD1 . . 4.310 3.703 3.499 3.977 . 0 0 "[ . 1 . 2]" 3
979 1 52 PHE HA 1 73 LEU MD2 . . 5.280 5.259 5.109 5.331 0.051 20 0 "[ . 1 . 2]" 3
980 1 59 LEU HA 1 59 LEU HG . . 3.670 2.809 2.395 3.267 . 0 0 "[ . 1 . 2]" 3
981 1 29 ASP HA 1 32 GLY H . . 4.040 3.756 3.700 4.089 0.049 20 0 "[ . 1 . 2]" 3
982 1 29 ASP HA 1 32 GLY HA2 . . 4.550 3.841 3.764 3.968 . 0 0 "[ . 1 . 2]" 3
983 1 24 ARG HA 1 24 ARG HG3 . . 4.040 2.983 2.210 3.952 . 0 0 "[ . 1 . 2]" 3
984 1 59 LEU MD1 1 60 ASN H . . 4.500 3.382 1.955 4.579 0.079 1 0 "[ . 1 . 2]" 3
985 1 59 LEU H 1 59 LEU MD1 . . 4.440 4.245 4.157 4.309 . 0 0 "[ . 1 . 2]" 3
986 1 59 LEU HA 1 59 LEU MD1 . . 4.100 2.968 1.993 3.809 . 0 0 "[ . 1 . 2]" 3
987 1 23 GLN HA 1 23 GLN QG . . 3.690 2.460 2.162 3.338 . 0 0 "[ . 1 . 2]" 3
988 1 9 ARG HA 1 9 ARG QG . . 4.010 2.757 2.185 3.429 . 0 0 "[ . 1 . 2]" 3
989 1 27 LEU MD2 1 34 GLY H . . 3.850 2.538 2.180 2.896 . 0 0 "[ . 1 . 2]" 3
990 1 27 LEU MD2 1 35 ILE H . . 4.180 3.509 3.238 4.102 . 0 0 "[ . 1 . 2]" 3
991 1 27 LEU H 1 27 LEU MD2 . . 4.090 3.807 3.712 3.918 . 0 0 "[ . 1 . 2]" 3
992 1 27 LEU MD2 1 33 SER HA . . 3.980 3.434 3.225 3.722 . 0 0 "[ . 1 . 2]" 3
993 1 27 LEU HA 1 27 LEU MD2 . . 2.910 2.088 1.954 2.308 . 0 0 "[ . 1 . 2]" 3
994 1 27 LEU MD2 1 32 GLY HA2 . . 4.670 4.293 4.237 4.424 . 0 0 "[ . 1 . 2]" 3
995 1 27 LEU MD2 1 34 GLY HA3 . . 3.560 3.048 2.798 3.341 . 0 0 "[ . 1 . 2]" 3
996 1 27 LEU HB2 1 27 LEU MD2 . . 3.190 2.295 2.163 2.380 . 0 0 "[ . 1 . 2]" 3
997 1 27 LEU HB3 1 27 LEU MD2 . . 3.350 3.183 3.172 3.191 . 0 0 "[ . 1 . 2]" 3
998 1 57 CYS H 1 58 ASN HA . . 4.260 4.139 4.129 4.154 . 0 0 "[ . 1 . 2]" 3
999 1 53 VAL HA 1 58 ASN HA . . 4.510 4.479 4.371 4.567 0.057 16 0 "[ . 1 . 2]" 3
1000 1 53 VAL HB 1 58 ASN HA . . 3.020 2.574 2.481 2.653 . 0 0 "[ . 1 . 2]" 3
1001 1 60 ASN HA 1 61 LEU H . . 2.900 2.152 2.140 2.170 . 0 0 "[ . 1 . 2]" 3
1002 1 60 ASN HA 1 60 ASN HD22 . . 4.450 3.480 3.379 3.680 . 0 0 "[ . 1 . 2]" 3
1003 1 53 VAL HB 1 60 ASN HA . . 4.190 3.667 3.582 3.806 . 0 0 "[ . 1 . 2]" 3
1004 1 64 LYS HA 1 64 LYS HG3 . . 3.840 3.143 3.097 3.193 . 0 0 "[ . 1 . 2]" 3
1005 1 64 LYS HA 1 64 LYS HG2 . . 3.420 2.528 2.419 2.606 . 0 0 "[ . 1 . 2]" 3
1006 1 60 ASN HA 1 60 ASN HD21 . . 4.450 2.367 2.139 2.719 . 0 0 "[ . 1 . 2]" 3
1007 1 66 TYR HA 1 67 PHE H . . 2.880 2.400 2.310 2.493 . 0 0 "[ . 1 . 2]" 3
1008 1 66 TYR HA 1 67 PHE QD . . 3.550 3.178 3.077 3.294 . 0 0 "[ . 1 . 2]" 3
1009 1 66 TYR HA 1 66 TYR QD . . 3.860 3.709 3.685 3.726 . 0 0 "[ . 1 . 2]" 3
1010 1 66 TYR HA 1 66 TYR QB . . 2.780 2.179 2.175 2.183 . 0 0 "[ . 1 . 2]" 3
1011 1 61 LEU HB3 1 66 TYR HA . . 4.240 2.418 2.222 2.724 . 0 0 "[ . 1 . 2]" 3
1012 1 61 LEU MD1 1 66 TYR HA . . 3.520 2.942 2.425 3.376 . 0 0 "[ . 1 . 2]" 3
1013 1 67 PHE QD 1 79 ALA HA . . 4.360 4.207 3.997 4.371 0.011 12 0 "[ . 1 . 2]" 3
1014 1 67 PHE HB3 1 79 ALA HA . . 4.860 4.027 3.927 4.270 . 0 0 "[ . 1 . 2]" 3
1015 1 74 TYR HB2 1 79 ALA HA . . 3.730 2.809 2.520 3.010 . 0 0 "[ . 1 . 2]" 3
1016 1 79 ALA HA 1 82 ARG HB3 . . 4.710 4.412 4.099 4.598 . 0 0 "[ . 1 . 2]" 3
1017 1 79 ALA HA 1 81 ALA MB . . 5.060 4.790 4.725 4.942 . 0 0 "[ . 1 . 2]" 3
1018 1 79 ALA HA 1 82 ARG HB2 . . 3.730 2.832 2.670 2.986 . 0 0 "[ . 1 . 2]" 3
1019 1 69 VAL MG2 1 79 ALA HA . . 3.000 2.692 2.546 2.964 . 0 0 "[ . 1 . 2]" 3
1020 1 55 ALA HA 1 74 TYR QE . . 5.020 4.898 4.619 5.044 0.024 14 0 "[ . 1 . 2]" 3
1021 1 30 LYS QE 1 55 ALA HA . . 4.560 4.552 4.435 4.591 0.031 1 0 "[ . 1 . 2]" 3
1022 1 53 VAL MG2 1 55 ALA HA . . 4.200 4.135 4.097 4.182 . 0 0 "[ . 1 . 2]" 3
1023 1 41 LYS HA 1 42 ALA H . . 2.730 2.144 2.140 2.150 . 0 0 "[ . 1 . 2]" 3
1024 1 41 LYS HA 1 46 TYR QD . . 4.380 4.164 4.012 4.295 . 0 0 "[ . 1 . 2]" 3
1025 1 61 LEU HA 1 64 LYS HB2 . . 3.470 2.201 1.985 2.516 . 0 0 "[ . 1 . 2]" 3
1026 1 61 LEU HA 1 61 LEU HG . . 3.740 3.218 3.138 3.327 . 0 0 "[ . 1 . 2]" 3
1027 1 61 LEU HA 1 61 LEU MD1 . . 4.230 3.923 3.895 3.955 . 0 0 "[ . 1 . 2]" 3
1028 1 80 ARG QB 1 81 ALA HA . . 4.510 3.830 3.811 3.864 . 0 0 "[ . 1 . 2]" 3
1029 1 45 LYS HA 1 46 TYR QD . . 4.140 2.453 2.403 2.611 . 0 0 "[ . 1 . 2]" 3
1030 1 45 LYS HA 1 45 LYS HG2 . . 3.420 2.189 2.170 2.228 . 0 0 "[ . 1 . 2]" 3
1031 1 45 LYS HA 1 46 TYR HA . . 4.630 4.452 4.431 4.481 . 0 0 "[ . 1 . 2]" 3
1032 1 45 LYS HA 1 45 LYS QE . . 4.760 4.525 4.447 4.742 . 0 0 "[ . 1 . 2]" 3
1033 1 45 LYS HA 1 46 TYR HB2 . . 4.860 4.574 4.534 4.614 . 0 0 "[ . 1 . 2]" 3
1034 1 39 VAL MG2 1 47 ARG H . . 3.540 2.789 2.597 3.066 . 0 0 "[ . 1 . 2]" 3
1035 1 39 VAL MG2 1 40 VAL H . . 3.090 1.961 1.801 2.149 . 0 0 "[ . 1 . 2]" 3
1036 1 39 VAL H 1 39 VAL MG2 . . 4.010 3.973 3.944 3.999 . 0 0 "[ . 1 . 2]" 3
1037 1 39 VAL MG2 1 46 TYR QD . . 3.210 2.664 2.241 2.931 . 0 0 "[ . 1 . 2]" 3
1038 1 39 VAL MG2 1 46 TYR QE . . 4.840 4.571 4.242 4.800 . 0 0 "[ . 1 . 2]" 3
1039 1 39 VAL MG2 1 46 TYR HA . . 3.900 3.689 3.485 3.859 . 0 0 "[ . 1 . 2]" 3
1040 1 39 VAL HA 1 39 VAL MG2 . . 3.170 2.106 2.001 2.195 . 0 0 "[ . 1 . 2]" 3
1041 1 39 VAL MG2 1 40 VAL HA . . 4.200 4.092 3.783 4.222 0.022 11 0 "[ . 1 . 2]" 3
1042 1 26 PRO QD 1 39 VAL MG2 . . 4.390 4.063 3.718 4.377 . 0 0 "[ . 1 . 2]" 3
1043 1 39 VAL MG2 1 46 TYR HB2 . . 3.900 3.442 3.325 3.604 . 0 0 "[ . 1 . 2]" 3
1044 1 39 VAL MG2 1 46 TYR HB3 . . 3.500 2.176 2.062 2.316 . 0 0 "[ . 1 . 2]" 3
1045 1 69 VAL H 1 73 LEU HA . . 4.300 3.447 3.255 3.718 . 0 0 "[ . 1 . 2]" 3
1046 1 73 LEU HA 1 74 TYR H . . 2.760 2.357 2.279 2.419 . 0 0 "[ . 1 . 2]" 3
1047 1 73 LEU HA 1 74 TYR QD . . 4.000 3.663 3.474 3.928 . 0 0 "[ . 1 . 2]" 3
1048 1 73 LEU HA 1 74 TYR HB2 . . 4.340 4.258 4.218 4.315 . 0 0 "[ . 1 . 2]" 3
1049 1 73 LEU HA 1 73 LEU MD1 . . 3.870 3.777 3.757 3.806 . 0 0 "[ . 1 . 2]" 3
1050 1 61 LEU MD2 1 75 CYS H . . 3.830 3.055 2.741 3.271 . 0 0 "[ . 1 . 2]" 3
1051 1 61 LEU MD2 1 76 GLU H . . 3.990 3.531 3.375 3.751 . 0 0 "[ . 1 . 2]" 3
1052 1 61 LEU H 1 61 LEU MD2 . . 3.650 3.404 3.134 3.605 . 0 0 "[ . 1 . 2]" 3
1053 1 54 CYS H 1 61 LEU MD2 . . 3.640 3.274 2.801 3.464 . 0 0 "[ . 1 . 2]" 3
1054 1 61 LEU MD2 1 67 PHE QD . . 4.630 4.499 4.296 4.628 . 0 0 "[ . 1 . 2]" 3
1055 1 61 LEU MD2 1 66 TYR QD . . 5.500 5.434 5.205 5.536 0.036 15 0 "[ . 1 . 2]" 3
1056 1 52 PHE QE 1 61 LEU MD2 . . 5.500 5.255 5.080 5.374 . 0 0 "[ . 1 . 2]" 3
1057 1 53 VAL H 1 61 LEU MD2 . . 5.500 5.374 5.143 5.521 0.021 4 0 "[ . 1 . 2]" 3
1058 1 61 LEU MD2 1 74 TYR HA . . 4.610 3.613 3.280 3.928 . 0 0 "[ . 1 . 2]" 3
1059 1 61 LEU MD2 1 66 TYR HA . . 3.730 2.890 2.477 3.191 . 0 0 "[ . 1 . 2]" 3
1060 1 61 LEU MD2 1 75 CYS HA . . 3.070 1.897 1.792 2.050 . 0 0 "[ . 1 . 2]" 3
1061 1 61 LEU HA 1 61 LEU MD2 . . 2.750 2.206 1.977 2.353 . 0 0 "[ . 1 . 2]" 3
1062 1 61 LEU MD2 1 75 CYS HB2 . . 3.190 3.098 2.987 3.215 0.025 1 0 "[ . 1 . 2]" 3
1063 1 61 LEU MD2 1 75 CYS HB3 . . 2.970 2.212 2.041 2.371 . 0 0 "[ . 1 . 2]" 3
1064 1 61 LEU MD2 1 66 TYR QB . . 3.960 3.850 3.631 3.963 0.003 4 0 "[ . 1 . 2]" 3
1065 1 61 LEU MD2 1 64 LYS HB3 . . 4.210 3.905 3.620 4.105 . 0 0 "[ . 1 . 2]" 3
1066 1 61 LEU MD2 1 64 LYS HB2 . . 3.500 3.141 2.730 3.337 . 0 0 "[ . 1 . 2]" 3
1067 1 61 LEU HB3 1 61 LEU MD2 . . 3.110 2.295 2.202 2.390 . 0 0 "[ . 1 . 2]" 3
1068 1 61 LEU HB2 1 61 LEU MD2 . . 3.360 3.185 3.170 3.195 . 0 0 "[ . 1 . 2]" 3
1069 1 53 VAL MG1 1 60 ASN H . . 4.020 3.403 3.130 3.687 . 0 0 "[ . 1 . 2]" 3
1070 1 53 VAL MG1 1 61 LEU H . . 3.590 3.296 3.143 3.453 . 0 0 "[ . 1 . 2]" 3
1071 1 53 VAL MG1 1 60 ASN HD21 . . 3.780 2.520 1.952 3.321 . 0 0 "[ . 1 . 2]" 3
1072 1 52 PHE H 1 53 VAL MG1 . . 3.870 3.782 3.758 3.825 . 0 0 "[ . 1 . 2]" 3
1073 1 53 VAL MG1 1 60 ASN HD22 . . 3.780 3.159 2.742 3.454 . 0 0 "[ . 1 . 2]" 3
1074 1 53 VAL HA 1 53 VAL MG1 . . 2.920 2.387 2.355 2.407 . 0 0 "[ . 1 . 2]" 3
1075 1 53 VAL MG1 1 60 ASN HA . . 2.830 1.971 1.933 2.099 . 0 0 "[ . 1 . 2]" 3
1076 1 51 CYS HA 1 53 VAL MG1 . . 3.590 3.539 3.479 3.614 0.024 16 0 "[ . 1 . 2]" 3
1077 1 30 LYS QE 1 53 VAL MG1 . . 4.850 4.555 3.977 4.881 0.031 8 0 "[ . 1 . 2]" 3
1078 1 53 VAL MG1 1 60 ASN QB . . 3.980 3.563 3.212 3.847 . 0 0 "[ . 1 . 2]" 3
1079 1 79 ALA HA 1 83 THR MG . . 4.610 3.819 3.653 4.081 . 0 0 "[ . 1 . 2]" 3
1080 1 82 ARG HB3 1 83 THR MG . . 4.920 4.822 4.481 5.046 0.126 14 0 "[ . 1 . 2]" 3
1081 1 27 LEU HA 1 35 ILE H . . 3.840 3.387 3.040 3.777 . 0 0 "[ . 1 . 2]" 3
1082 1 27 LEU HA 1 28 CYS HB2 . . 4.550 4.469 4.433 4.553 0.003 20 0 "[ . 1 . 2]" 3
1083 1 69 VAL MG1 1 70 GLU H . . 4.160 2.843 1.925 3.121 . 0 0 "[ . 1 . 2]" 3
1084 1 69 VAL MG1 1 74 TYR QD . . 4.130 3.865 3.703 4.069 . 0 0 "[ . 1 . 2]" 3
1085 1 69 VAL MG1 1 83 THR HA . . 4.320 4.173 3.626 4.350 0.030 4 0 "[ . 1 . 2]" 3
1086 1 69 VAL MG1 1 70 GLU HG2 . . 3.590 3.077 1.886 3.596 0.006 8 0 "[ . 1 . 2]" 3
1087 1 69 VAL MG1 1 82 ARG HB3 . . 3.420 2.093 1.789 2.446 . 0 0 "[ . 1 . 2]" 3
1088 1 69 VAL MG1 1 82 ARG HB2 . . 3.780 2.837 2.598 3.005 . 0 0 "[ . 1 . 2]" 3
1089 1 72 GLU HA 1 73 LEU H . . 3.090 2.307 2.264 2.363 . 0 0 "[ . 1 . 2]" 3
1090 1 72 GLU HA 1 73 LEU HG . . 4.770 4.545 4.439 4.626 . 0 0 "[ . 1 . 2]" 3
1091 1 72 GLU HA 1 74 TYR QE . . 5.090 4.803 4.702 4.888 . 0 0 "[ . 1 . 2]" 3
1092 1 72 GLU HA 1 72 GLU HG2 . . 4.040 3.621 3.339 3.816 . 0 0 "[ . 1 . 2]" 3
1093 1 72 GLU HA 1 72 GLU HG3 . . 4.040 2.687 2.315 3.119 . 0 0 "[ . 1 . 2]" 3
1094 1 25 MET HA 1 26 PRO QD . . 2.510 2.072 1.937 2.098 . 0 0 "[ . 1 . 2]" 3
1095 1 25 MET HA 1 25 MET HG2 . . 3.710 3.592 3.122 3.680 . 0 0 "[ . 1 . 2]" 3
1096 1 25 MET HA 1 26 PRO HB3 . . 4.920 4.844 4.831 4.849 . 0 0 "[ . 1 . 2]" 3
1097 1 47 ARG HA 1 48 HIS H . . 3.080 2.228 2.213 2.243 . 0 0 "[ . 1 . 2]" 3
1098 1 47 ARG HA 1 47 ARG HD3 . . 3.410 2.492 2.371 2.578 . 0 0 "[ . 1 . 2]" 3
1099 1 47 ARG HA 1 48 HIS HB2 . . 4.670 4.425 4.396 4.451 . 0 0 "[ . 1 . 2]" 3
1100 1 28 CYS HB2 1 47 ARG HA . . 4.350 4.220 4.121 4.278 . 0 0 "[ . 1 . 2]" 3
1101 1 47 ARG HA 1 47 ARG HG2 . . 3.600 2.753 2.712 2.796 . 0 0 "[ . 1 . 2]" 3
1102 1 47 ARG HA 1 47 ARG HG3 . . 3.880 3.796 3.767 3.809 . 0 0 "[ . 1 . 2]" 3
1103 1 35 ILE MD 1 47 ARG HA . . 3.460 3.344 3.273 3.430 . 0 0 "[ . 1 . 2]" 3
1104 1 38 ALA HA 1 39 VAL H . . 2.510 2.150 2.141 2.171 . 0 0 "[ . 1 . 2]" 3
1105 1 38 ALA HA 1 39 VAL HB . . 4.450 4.306 4.252 4.476 0.026 20 0 "[ . 1 . 2]" 3
1106 1 38 ALA HA 1 39 VAL MG1 . . 4.310 4.244 3.987 4.343 0.033 1 0 "[ . 1 . 2]" 3
1107 1 69 VAL MG2 1 79 ALA H . . 5.050 4.943 4.810 5.067 0.017 5 0 "[ . 1 . 2]" 3
1108 1 69 VAL MG2 1 74 TYR QD . . 3.150 2.819 2.609 2.970 . 0 0 "[ . 1 . 2]" 3
1109 1 69 VAL MG2 1 74 TYR QE . . 4.100 4.040 3.893 4.141 0.041 16 0 "[ . 1 . 2]" 3
1110 1 69 VAL MG2 1 83 THR HA . . 4.400 3.906 3.287 4.213 . 0 0 "[ . 1 . 2]" 3
1111 1 69 VAL MG2 1 83 THR HB . . 3.510 2.666 2.371 2.995 . 0 0 "[ . 1 . 2]" 3
1112 1 69 VAL MG2 1 74 TYR HB3 . . 4.740 4.327 4.068 4.523 . 0 0 "[ . 1 . 2]" 3
1113 1 67 PHE HB3 1 69 VAL MG2 . . 3.840 2.840 2.774 2.948 . 0 0 "[ . 1 . 2]" 3
1114 1 69 VAL MG2 1 74 TYR HB2 . . 3.990 3.202 2.968 3.358 . 0 0 "[ . 1 . 2]" 3
1115 1 29 ASP H 1 47 ARG HA . . 4.300 3.379 2.930 3.775 . 0 0 "[ . 1 . 2]" 3
1116 1 47 ARG HA 1 51 CYS HB2 . . 4.400 4.082 4.036 4.106 . 0 0 "[ . 1 . 2]" 3
1117 1 40 VAL H 1 40 VAL MG2 . . 3.140 2.973 2.855 3.087 . 0 0 "[ . 1 . 2]" 3
1118 1 40 VAL MG2 1 41 LYS H . . 4.280 4.163 4.134 4.209 . 0 0 "[ . 1 . 2]" 3
1119 1 40 VAL MG2 1 52 PHE QD . . 4.190 4.035 3.885 4.142 . 0 0 "[ . 1 . 2]" 3
1120 1 40 VAL MG2 1 52 PHE QE . . 5.240 5.074 4.966 5.216 . 0 0 "[ . 1 . 2]" 3
1121 1 39 VAL HA 1 40 VAL MG2 . . 3.740 3.454 3.336 3.567 . 0 0 "[ . 1 . 2]" 3
1122 1 40 VAL MG2 1 49 PRO HA . . 2.780 1.867 1.806 1.911 . 0 0 "[ . 1 . 2]" 3
1123 1 40 VAL HA 1 40 VAL MG2 . . 2.950 2.297 2.248 2.347 . 0 0 "[ . 1 . 2]" 3
1124 1 40 VAL MG2 1 52 PHE HB2 . . 3.570 3.429 3.306 3.573 0.003 16 0 "[ . 1 . 2]" 3
1125 1 40 VAL MG2 1 49 PRO HB3 . . 3.460 2.804 2.652 2.916 . 0 0 "[ . 1 . 2]" 3
1126 1 40 VAL MG2 1 62 LYS HB2 . . 4.640 3.426 3.036 3.690 . 0 0 "[ . 1 . 2]" 3
1127 1 40 VAL MG2 1 62 LYS HB3 . . 4.960 4.855 4.462 5.062 0.102 6 0 "[ . 1 . 2]" 3
1128 1 12 VAL H 1 12 VAL MG2 . . 4.100 3.010 2.077 4.008 . 0 0 "[ . 1 . 2]" 3
1129 1 12 VAL HA 1 12 VAL MG2 . . 3.730 2.723 2.259 3.203 . 0 0 "[ . 1 . 2]" 3
1130 1 77 THR MG 1 78 HIS H . . 3.530 2.928 2.849 3.014 . 0 0 "[ . 1 . 2]" 3
1131 1 77 THR H 1 77 THR MG . . 3.940 3.767 3.766 3.771 . 0 0 "[ . 1 . 2]" 3
1132 1 77 THR MG 1 78 HIS HD2 . . 4.300 4.113 3.922 4.241 . 0 0 "[ . 1 . 2]" 3
1133 1 77 THR MG 1 78 HIS HA . . 3.840 3.309 3.178 3.442 . 0 0 "[ . 1 . 2]" 3
1134 1 77 THR HA 1 77 THR MG . . 2.790 2.412 2.291 2.459 . 0 0 "[ . 1 . 2]" 3
1135 1 77 THR MG 1 81 ALA MB . . 4.150 4.056 3.855 4.194 0.044 20 0 "[ . 1 . 2]" 3
1136 1 15 VAL HA 1 15 VAL MG2 . . 3.730 2.585 2.218 3.203 . 0 0 "[ . 1 . 2]" 3
1137 1 39 VAL MG1 1 47 ARG H . . 4.270 4.116 3.877 4.331 0.061 20 0 "[ . 1 . 2]" 3
1138 1 39 VAL MG1 1 40 VAL H . . 3.500 2.939 2.702 3.126 . 0 0 "[ . 1 . 2]" 3
1139 1 39 VAL H 1 39 VAL MG1 . . 3.200 2.517 2.297 2.605 . 0 0 "[ . 1 . 2]" 3
1140 1 39 VAL MG1 1 46 TYR QD . . 3.320 2.396 2.232 2.529 . 0 0 "[ . 1 . 2]" 3
1141 1 39 VAL MG1 1 46 TYR QE . . 3.980 3.591 3.309 3.713 . 0 0 "[ . 1 . 2]" 3
1142 1 39 VAL MG1 1 46 TYR HA . . 4.710 4.407 4.201 4.647 . 0 0 "[ . 1 . 2]" 3
1143 1 39 VAL HA 1 39 VAL MG1 . . 3.420 3.156 3.142 3.186 . 0 0 "[ . 1 . 2]" 3
1144 1 39 VAL MG1 1 40 VAL HA . . 4.080 3.369 3.261 3.560 . 0 0 "[ . 1 . 2]" 3
1145 1 26 PRO QD 1 39 VAL MG1 . . 4.530 4.254 4.034 4.451 . 0 0 "[ . 1 . 2]" 3
1146 1 39 VAL MG1 1 46 TYR HB2 . . 5.150 4.776 4.589 4.920 . 0 0 "[ . 1 . 2]" 3
1147 1 39 VAL MG1 1 46 TYR HB3 . . 3.760 3.350 3.146 3.515 . 0 0 "[ . 1 . 2]" 3
1148 1 26 PRO HG2 1 39 VAL MG1 . . 3.990 3.744 3.441 3.916 . 0 0 "[ . 1 . 2]" 3
1149 1 26 PRO HG3 1 39 VAL MG1 . . 3.730 3.187 2.990 3.372 . 0 0 "[ . 1 . 2]" 3
1150 1 35 ILE HB 1 39 VAL MG1 . . 4.940 4.707 4.392 4.827 . 0 0 "[ . 1 . 2]" 3
1151 1 38 ALA MB 1 39 VAL MG1 . . 5.430 4.847 4.698 4.922 . 0 0 "[ . 1 . 2]" 3
1152 1 42 ALA H 1 42 ALA MB . . 3.130 2.180 2.165 2.199 . 0 0 "[ . 1 . 2]" 3
1153 1 42 ALA MB 1 68 PHE HZ . . 3.610 2.393 2.260 2.487 . 0 0 "[ . 1 . 2]" 3
1154 1 42 ALA MB 1 66 TYR QE . . 3.510 2.519 2.322 2.643 . 0 0 "[ . 1 . 2]" 3
1155 1 42 ALA MB 1 52 PHE QE . . 3.470 3.049 2.846 3.170 . 0 0 "[ . 1 . 2]" 3
1156 1 42 ALA MB 1 52 PHE HZ . . 3.980 2.085 1.953 2.304 . 0 0 "[ . 1 . 2]" 3
1157 1 41 LYS HA 1 42 ALA MB . . 4.030 3.980 3.968 3.989 . 0 0 "[ . 1 . 2]" 3
1158 1 42 ALA MB 1 45 LYS HB2 . . 4.250 4.269 4.208 4.318 0.068 3 0 "[ . 1 . 2]" 3
1159 1 42 ALA MB 1 73 LEU MD2 . . 3.360 3.211 3.084 3.376 0.016 10 0 "[ . 1 . 2]" 3
1160 1 42 ALA MB 1 43 ARG H . . 4.330 2.010 1.967 2.032 . 0 0 "[ . 1 . 2]" 3
1161 1 40 VAL MG1 1 41 LYS H . . 3.290 3.200 3.023 3.233 . 0 0 "[ . 1 . 2]" 3
1162 1 40 VAL MG1 1 52 PHE QD . . 3.610 2.709 2.572 2.885 . 0 0 "[ . 1 . 2]" 3
1163 1 40 VAL MG1 1 52 PHE QE . . 3.610 3.143 3.054 3.259 . 0 0 "[ . 1 . 2]" 3
1164 1 40 VAL MG1 1 52 PHE HZ . . 4.010 3.772 3.604 4.011 0.001 16 0 "[ . 1 . 2]" 3
1165 1 40 VAL MG1 1 41 LYS HA . . 4.510 3.754 3.698 3.919 . 0 0 "[ . 1 . 2]" 3
1166 1 40 VAL MG1 1 52 PHE HA . . 4.970 4.821 4.692 4.992 0.022 13 0 "[ . 1 . 2]" 3
1167 1 40 VAL MG1 1 49 PRO HA . . 4.230 4.067 3.911 4.197 . 0 0 "[ . 1 . 2]" 3
1168 1 40 VAL MG1 1 52 PHE HB3 . . 4.320 3.509 3.360 3.760 . 0 0 "[ . 1 . 2]" 3
1169 1 40 VAL MG1 1 52 PHE HB2 . . 4.060 3.089 2.956 3.323 . 0 0 "[ . 1 . 2]" 3
1170 1 40 VAL MG1 1 47 ARG HB3 . . 5.390 4.845 4.695 4.987 . 0 0 "[ . 1 . 2]" 3
1171 1 40 VAL MG1 1 62 LYS HB3 . . 5.500 4.832 4.593 5.020 . 0 0 "[ . 1 . 2]" 3
1172 1 40 VAL MG1 1 42 ALA MB . . 4.120 3.956 3.873 4.037 . 0 0 "[ . 1 . 2]" 3
1173 1 38 ALA MB 1 39 VAL H . . 3.330 3.169 3.013 3.262 . 0 0 "[ . 1 . 2]" 3
1174 1 37 GLY HA2 1 38 ALA MB . . 4.570 4.404 4.315 4.521 . 0 0 "[ . 1 . 2]" 3
1175 1 35 ILE MG 1 36 VAL H . . 3.440 2.503 2.238 2.966 . 0 0 "[ . 1 . 2]" 3
1176 1 35 ILE MG 1 40 VAL H . . 4.150 4.086 3.847 4.209 0.059 12 0 "[ . 1 . 2]" 3
1177 1 35 ILE MG 1 39 VAL H . . 4.420 4.004 3.881 4.085 . 0 0 "[ . 1 . 2]" 3
1178 1 35 ILE MG 1 48 HIS H . . 4.720 4.746 4.627 4.796 0.076 15 0 "[ . 1 . 2]" 3
1179 1 35 ILE MG 1 48 HIS HD2 . . 3.240 2.169 1.964 2.465 . 0 0 "[ . 1 . 2]" 3
1180 1 35 ILE MG 1 48 HIS HA . . 3.230 3.161 2.917 3.234 0.004 10 0 "[ . 1 . 2]" 3
1181 1 35 ILE MG 1 39 VAL HA . . 3.110 2.734 2.549 2.862 . 0 0 "[ . 1 . 2]" 3
1182 1 35 ILE MG 1 36 VAL HA . . 3.710 3.455 3.262 3.678 . 0 0 "[ . 1 . 2]" 3
1183 1 35 ILE HA 1 35 ILE MG . . 2.970 2.348 2.253 2.424 . 0 0 "[ . 1 . 2]" 3
1184 1 26 PRO QD 1 35 ILE MG . . 4.140 3.854 3.602 4.143 0.003 2 0 "[ . 1 . 2]" 3
1185 1 35 ILE MG 1 46 TYR HB3 . . 4.830 4.522 4.357 4.803 . 0 0 "[ . 1 . 2]" 3
1186 1 28 CYS HB2 1 35 ILE MG . . 4.320 4.308 4.245 4.353 0.033 13 0 "[ . 1 . 2]" 3
1187 1 35 ILE MG 1 39 VAL HB . . 3.280 1.888 1.755 1.960 . 0 0 "[ . 1 . 2]" 3
1188 1 26 PRO HG2 1 35 ILE MG . . 4.430 2.967 2.640 3.170 . 0 0 "[ . 1 . 2]" 3
1189 1 26 PRO HB2 1 35 ILE MG . . 5.130 4.529 4.268 4.625 . 0 0 "[ . 1 . 2]" 3
1190 1 35 ILE HG13 1 35 ILE MG . . 3.420 3.158 3.137 3.173 . 0 0 "[ . 1 . 2]" 3
1191 1 35 ILE MD 1 35 ILE MG . . 2.700 2.312 2.194 2.434 . 0 0 "[ . 1 . 2]" 3
1192 1 35 ILE HG12 1 35 ILE MG . . 3.110 2.134 2.065 2.268 . 0 0 "[ . 1 . 2]" 3
1193 1 79 ALA H 1 79 ALA MB . . 2.820 2.163 2.041 2.249 . 0 0 "[ . 1 . 2]" 3
1194 1 78 HIS H 1 79 ALA MB . . 4.560 4.418 4.332 4.463 . 0 0 "[ . 1 . 2]" 3
1195 1 79 ALA MB 1 81 ALA H . . 4.610 4.369 4.321 4.399 . 0 0 "[ . 1 . 2]" 3
1196 1 67 PHE QD 1 79 ALA MB . . 3.220 2.198 2.111 2.407 . 0 0 "[ . 1 . 2]" 3
1197 1 79 ALA MB 1 80 ARG HA . . 4.060 3.687 3.576 3.754 . 0 0 "[ . 1 . 2]" 3
1198 1 74 TYR HB3 1 79 ALA MB . . 3.440 2.610 2.471 2.829 . 0 0 "[ . 1 . 2]" 3
1199 1 76 GLU HA 1 79 ALA MB . . 3.300 2.774 2.665 2.896 . 0 0 "[ . 1 . 2]" 3
1200 1 67 PHE HB3 1 79 ALA MB . . 3.060 2.089 1.982 2.395 . 0 0 "[ . 1 . 2]" 3
1201 1 67 PHE HB2 1 79 ALA MB . . 2.860 2.026 1.897 2.202 . 0 0 "[ . 1 . 2]" 3
1202 1 74 TYR HB2 1 79 ALA MB . . 3.030 2.276 1.949 2.447 . 0 0 "[ . 1 . 2]" 3
1203 1 69 VAL MG2 1 79 ALA MB . . 2.930 2.933 2.820 3.006 0.076 9 0 "[ . 1 . 2]" 3
1204 1 75 CYS H 1 79 ALA MB . . 4.480 3.691 3.556 3.827 . 0 0 "[ . 1 . 2]" 3
1205 1 42 ALA HA 1 66 TYR QE . . 4.280 3.781 3.371 4.288 0.008 8 0 "[ . 1 . 2]" 3
1206 1 42 ALA HA 1 43 ARG H . . 3.540 3.541 3.532 3.545 0.005 19 0 "[ . 1 . 2]" 3
1207 1 42 ALA HA 1 52 PHE QE . . 5.130 4.752 4.549 4.918 . 0 0 "[ . 1 . 2]" 3
1208 1 42 ALA HA 1 43 ARG HA . . 4.690 4.544 4.538 4.548 . 0 0 "[ . 1 . 2]" 3
1209 1 10 ALA HA 1 11 PRO HD2 . . 3.090 2.111 1.913 2.511 . 0 0 "[ . 1 . 2]" 3
1210 1 10 ALA HA 1 11 PRO HD3 . . 3.090 2.340 2.253 2.494 . 0 0 "[ . 1 . 2]" 3
1211 1 10 ALA MB 1 11 PRO HD2 . . 4.270 2.734 1.946 3.337 . 0 0 "[ . 1 . 2]" 3
1212 1 55 ALA H 1 55 ALA MB . . 2.770 2.326 2.250 2.393 . 0 0 "[ . 1 . 2]" 3
1213 1 55 ALA MB 1 56 ASP H . . 3.370 3.205 3.122 3.322 . 0 0 "[ . 1 . 2]" 3
1214 1 55 ALA MB 1 74 TYR QD . . 3.580 3.389 3.181 3.559 . 0 0 "[ . 1 . 2]" 3
1215 1 55 ALA MB 1 74 TYR QE . . 2.910 2.583 2.174 2.784 . 0 0 "[ . 1 . 2]" 3
1216 1 55 ALA MB 1 72 GLU HA . . 4.610 4.553 4.465 4.624 0.014 9 0 "[ . 1 . 2]" 3
1217 1 54 CYS HA 1 55 ALA MB . . 4.010 3.969 3.934 3.982 . 0 0 "[ . 1 . 2]" 3
1218 1 30 LYS QE 1 55 ALA MB . . 5.120 4.970 4.854 5.083 . 0 0 "[ . 1 . 2]" 3
1219 1 79 ALA H 1 81 ALA MB . . 4.950 4.803 4.729 4.854 . 0 0 "[ . 1 . 2]" 3
1220 1 80 ARG H 1 81 ALA MB . . 4.600 4.467 4.376 4.550 . 0 0 "[ . 1 . 2]" 3
1221 1 81 ALA MB 1 83 THR H . . 5.290 4.941 4.337 5.179 . 0 0 "[ . 1 . 2]" 3
1222 1 77 THR HA 1 81 ALA MB . . 5.210 5.127 4.927 5.245 0.035 12 0 "[ . 1 . 2]" 3
1223 1 78 HIS HA 1 81 ALA MB . . 2.960 2.674 2.566 2.777 . 0 0 "[ . 1 . 2]" 3
1224 1 10 ALA MB 1 11 PRO HD3 . . 4.270 3.697 3.081 4.060 . 0 0 "[ . 1 . 2]" 3
1225 1 26 PRO QD 1 35 ILE H . . 4.650 4.224 3.830 4.459 . 0 0 "[ . 1 . 2]" 3
1226 1 25 MET HG2 1 26 PRO QD . . 4.350 3.305 2.882 3.611 . 0 0 "[ . 1 . 2]" 3
1227 1 26 PRO QD 1 35 ILE MD . . 4.670 4.046 3.839 4.305 . 0 0 "[ . 1 . 2]" 3
1228 1 25 MET HB2 1 26 PRO QD . . 3.920 2.083 1.968 3.207 . 0 0 "[ . 1 . 2]" 3
1229 1 38 ALA MB 1 49 PRO HD3 . . 4.110 2.998 2.893 3.120 . 0 0 "[ . 1 . 2]" 3
1230 1 49 PRO HD3 1 50 GLU H . . 4.290 3.925 3.920 3.931 . 0 0 "[ . 1 . 2]" 3
1231 1 40 VAL H 1 49 PRO HD3 . . 4.700 4.239 4.089 4.324 . 0 0 "[ . 1 . 2]" 3
1232 1 35 ILE MG 1 49 PRO HD3 . . 4.260 3.641 3.373 3.825 . 0 0 "[ . 1 . 2]" 3
1233 1 39 VAL HA 1 49 PRO HD2 . . 4.170 4.107 3.934 4.257 0.087 11 0 "[ . 1 . 2]" 3
1234 1 38 ALA MB 1 49 PRO HD2 . . 4.190 3.984 3.875 4.057 . 0 0 "[ . 1 . 2]" 3
1235 1 35 ILE MG 1 49 PRO HD2 . . 4.320 4.201 3.925 4.348 0.028 10 0 "[ . 1 . 2]" 3
1236 1 40 VAL MG2 1 49 PRO HD2 . . 4.820 4.543 4.345 4.827 0.007 13 0 "[ . 1 . 2]" 3
1237 1 40 VAL MG2 1 49 PRO HD3 . . 4.240 3.526 3.343 3.794 . 0 0 "[ . 1 . 2]" 3
1238 1 25 MET ME 1 26 PRO HA . . 4.390 4.218 3.627 4.466 0.076 3 0 "[ . 1 . 2]" 3
1239 1 25 MET ME 1 34 GLY HA3 . . 3.780 2.896 2.092 3.494 . 0 0 "[ . 1 . 2]" 3
1240 1 53 VAL MG2 1 58 ASN H . . 4.240 4.134 4.030 4.232 . 0 0 "[ . 1 . 2]" 3
1241 1 53 VAL MG2 1 54 CYS H . . 3.830 3.055 2.967 3.140 . 0 0 "[ . 1 . 2]" 3
1242 1 53 VAL MG2 1 58 ASN HD21 . . 4.870 2.848 2.506 3.131 . 0 0 "[ . 1 . 2]" 3
1243 1 53 VAL HA 1 53 VAL MG2 . . 3.670 3.200 3.198 3.202 . 0 0 "[ . 1 . 2]" 3
1244 1 51 CYS HA 1 53 VAL MG2 . . 3.830 3.760 3.692 3.853 0.023 1 0 "[ . 1 . 2]" 3
1245 1 30 LYS HD2 1 53 VAL MG2 . . 4.170 4.148 3.994 4.211 0.041 11 0 "[ . 1 . 2]" 3
1246 1 53 VAL MG2 1 55 ALA MB . . 4.900 4.847 4.793 4.901 0.001 12 0 "[ . 1 . 2]" 3
1247 1 35 ILE MD 1 39 VAL MG2 . . 3.020 1.765 1.729 1.811 . 0 0 "[ . 1 . 2]" 3
1248 1 35 ILE MG 1 39 VAL MG2 . . 2.950 1.816 1.730 1.889 . 0 0 "[ . 1 . 2]" 3
1249 1 35 ILE HB 1 39 VAL MG2 . . 3.510 2.931 2.552 3.152 . 0 0 "[ . 1 . 2]" 3
1250 1 26 PRO HB2 1 39 VAL MG2 . . 4.040 3.317 3.076 3.569 . 0 0 "[ . 1 . 2]" 3
1251 1 26 PRO HG2 1 39 VAL MG2 . . 3.820 2.507 2.100 2.787 . 0 0 "[ . 1 . 2]" 3
1252 1 59 LEU HB3 1 59 LEU MD1 . . 3.430 2.775 2.309 3.187 . 0 0 "[ . 1 . 2]" 3
1253 1 59 LEU HB2 1 59 LEU MD1 . . 3.430 2.302 2.209 2.383 . 0 0 "[ . 1 . 2]" 3
1254 1 66 TYR QD 1 73 LEU MD1 . . 4.480 4.335 4.207 4.419 . 0 0 "[ . 1 . 2]" 3
1255 1 42 ALA MB 1 66 TYR QD . . 4.410 3.106 2.991 3.274 . 0 0 "[ . 1 . 2]" 3
1256 1 65 GLY HA3 1 66 TYR QD . . 5.460 5.316 5.157 5.406 . 0 0 "[ . 1 . 2]" 3
1257 1 66 TYR QD 1 68 PHE HB2 . . 4.810 4.650 4.563 4.796 . 0 0 "[ . 1 . 2]" 3
1258 1 52 PHE HZ 1 66 TYR QD . . 3.860 3.551 3.372 3.703 . 0 0 "[ . 1 . 2]" 3
1259 1 74 TYR QD 1 79 ALA MB . . 4.400 3.862 3.671 3.950 . 0 0 "[ . 1 . 2]" 3
1260 1 72 GLU HB2 1 74 TYR QD . . 5.500 5.293 5.139 5.475 . 0 0 "[ . 1 . 2]" 3
1261 1 26 PRO HB2 1 46 TYR QD . . 4.050 3.521 3.377 3.636 . 0 0 "[ . 1 . 2]" 3
1262 1 68 PHE H 1 68 PHE QD . . 4.130 3.786 3.382 4.051 . 0 0 "[ . 1 . 2]" 3
1263 1 68 PHE QD 1 69 VAL H . . 4.970 3.902 3.645 4.551 . 0 0 "[ . 1 . 2]" 3
1264 1 67 PHE QD 1 76 GLU HA . . 4.140 3.393 3.237 3.512 . 0 0 "[ . 1 . 2]" 3
1265 1 67 PHE QD 1 83 THR MG . . 4.560 2.389 2.019 3.188 . 0 0 "[ . 1 . 2]" 3
1266 1 42 ALA MB 1 68 PHE QE . . 4.380 1.983 1.790 2.253 . 0 0 "[ . 1 . 2]" 3
1267 1 52 PHE HZ 1 66 TYR QB . . 4.560 2.762 2.545 2.930 . 0 0 "[ . 1 . 2]" 3
1268 1 35 ILE HG12 1 48 HIS HD2 . . 4.740 2.833 2.684 3.072 . 0 0 "[ . 1 . 2]" 3
1269 1 48 HIS HD2 1 49 PRO HD3 . . 4.680 2.742 2.599 2.827 . 0 0 "[ . 1 . 2]" 3
1270 1 69 VAL MG1 1 74 TYR QE . . 3.700 3.484 3.269 3.724 0.024 20 0 "[ . 1 . 2]" 3
1271 1 72 GLU HB2 1 74 TYR QE . . 3.720 3.637 3.568 3.731 0.011 10 0 "[ . 1 . 2]" 3
1272 1 69 VAL HB 1 74 TYR QE . . 3.200 2.630 2.368 2.743 . 0 0 "[ . 1 . 2]" 3
1273 1 78 HIS HD2 1 81 ALA MB . . 4.110 3.853 3.745 3.981 . 0 0 "[ . 1 . 2]" 3
1274 1 72 GLU H 1 74 TYR QE . . 4.270 4.188 3.916 4.304 0.034 5 0 "[ . 1 . 2]" 3
1275 1 69 VAL H 1 74 TYR QE . . 4.050 3.887 3.537 4.074 0.024 8 0 "[ . 1 . 2]" 3
1276 1 66 TYR QE 1 73 LEU MD2 . . 4.310 3.792 3.612 3.908 . 0 0 "[ . 1 . 2]" 3
1277 1 66 TYR QE 1 73 LEU MD1 . . 5.500 5.480 5.378 5.524 0.024 6 0 "[ . 1 . 2]" 3
1278 1 41 LYS QD 1 46 TYR QE . . 3.760 2.430 2.291 2.659 . 0 0 "[ . 1 . 2]" 3
1279 1 41 LYS HB2 1 46 TYR QE . . 4.180 3.365 3.233 3.509 . 0 0 "[ . 1 . 2]" 3
1280 1 25 MET ME 1 35 ILE H . . 4.250 3.275 2.733 4.002 . 0 0 "[ . 1 . 2]" 3
1281 1 25 MET ME 1 34 GLY H . . 4.760 4.111 3.067 4.592 . 0 0 "[ . 1 . 2]" 3
1282 1 26 PRO HG3 1 27 LEU H . . 5.480 5.454 5.329 5.516 0.036 4 0 "[ . 1 . 2]" 3
1283 1 26 PRO HG3 1 46 TYR QE . . 4.910 3.714 3.519 4.081 . 0 0 "[ . 1 . 2]" 3
1284 1 26 PRO HG3 1 46 TYR HB3 . . 4.800 3.894 3.617 4.290 . 0 0 "[ . 1 . 2]" 3
1285 1 26 PRO HG3 1 35 ILE MG . . 4.900 4.013 3.649 4.202 . 0 0 "[ . 1 . 2]" 3
1286 1 28 CYS HA 1 35 ILE MD . . 4.260 2.033 1.948 2.191 . 0 0 "[ . 1 . 2]" 3
1287 1 29 ASP HB2 1 45 LYS HB3 . . 4.340 4.052 3.588 4.377 0.037 13 0 "[ . 1 . 2]" 3
1288 1 29 ASP HB2 1 45 LYS HD3 . . 4.590 4.253 4.029 4.545 . 0 0 "[ . 1 . 2]" 3
1289 1 30 LYS HA 1 30 LYS QG . . 3.320 2.637 2.404 2.699 . 0 0 "[ . 1 . 2]" 3
1290 1 30 LYS HD2 1 31 CYS H . . 5.380 5.264 5.207 5.423 0.043 20 0 "[ . 1 . 2]" 3
1291 1 30 LYS H 1 30 LYS HD2 . . 5.240 4.782 4.398 4.871 . 0 0 "[ . 1 . 2]" 3
1292 1 30 LYS H 1 30 LYS HD3 . . 5.500 5.254 4.692 5.401 . 0 0 "[ . 1 . 2]" 3
1293 1 29 ASP HA 1 32 GLY HA3 . . 5.100 4.890 4.628 4.969 . 0 0 "[ . 1 . 2]" 3
1294 1 27 LEU HB3 1 32 GLY HA2 . . 4.770 4.188 4.127 4.355 . 0 0 "[ . 1 . 2]" 3
1295 1 27 LEU HB3 1 32 GLY HA3 . . 5.500 5.587 5.556 5.620 0.120 19 0 "[ . 1 . 2]" 3
1296 1 28 CYS HB3 1 33 SER QB . . 4.350 3.588 3.449 3.994 . 0 0 "[ . 1 . 2]" 3
1297 1 33 SER QB 1 34 GLY HA3 . . 5.120 4.775 4.569 5.041 . 0 0 "[ . 1 . 2]" 3
1298 1 27 LEU MD2 1 33 SER QB . . 4.970 4.669 4.469 4.881 . 0 0 "[ . 1 . 2]" 3
1299 1 25 MET HG2 1 34 GLY HA2 . . 5.400 3.409 3.226 3.655 . 0 0 "[ . 1 . 2]" 3
1300 1 38 ALA MB 1 49 PRO HG3 . . 3.640 1.970 1.936 2.053 . 0 0 "[ . 1 . 2]" 3
1301 1 38 ALA MB 1 49 PRO HB2 . . 4.170 3.854 3.711 3.985 . 0 0 "[ . 1 . 2]" 3
1302 1 38 ALA MB 1 49 PRO HG2 . . 3.640 3.583 3.512 3.652 0.012 4 0 "[ . 1 . 2]" 3
1303 1 35 ILE MD 1 39 VAL MG1 . . 3.960 3.924 3.845 3.988 0.028 14 0 "[ . 1 . 2]" 3
1304 1 40 VAL MG2 1 52 PHE H . . 4.680 4.557 4.421 4.697 0.017 13 0 "[ . 1 . 2]" 3
1305 1 40 VAL MG2 1 48 HIS HA . . 4.770 3.995 3.751 4.318 . 0 0 "[ . 1 . 2]" 3
1306 1 41 LYS HA 1 46 TYR QE . . 5.500 5.262 5.121 5.382 . 0 0 "[ . 1 . 2]" 3
1307 1 41 LYS HA 1 41 LYS HG2 . . 3.620 3.283 3.235 3.376 . 0 0 "[ . 1 . 2]" 3
1308 1 41 LYS H 1 41 LYS QD . . 5.050 4.184 4.124 4.298 . 0 0 "[ . 1 . 2]" 3
1309 1 45 LYS HD2 1 68 PHE QE . . 4.960 4.761 4.499 4.992 0.032 15 0 "[ . 1 . 2]" 3
1310 1 45 LYS HD3 1 68 PHE QE . . 5.360 4.971 4.731 5.135 . 0 0 "[ . 1 . 2]" 3
1311 1 46 TYR HA 1 46 TYR QE . . 4.940 4.762 4.721 4.788 . 0 0 "[ . 1 . 2]" 3
1312 1 46 TYR HA 1 47 ARG HA . . 5.080 4.458 4.449 4.465 . 0 0 "[ . 1 . 2]" 3
1313 1 39 VAL HB 1 46 TYR HB3 . . 4.940 4.824 4.652 4.949 0.009 11 0 "[ . 1 . 2]" 3
1314 1 45 LYS H 1 46 TYR QD . . 4.860 4.645 4.554 4.791 . 0 0 "[ . 1 . 2]" 3
1315 1 47 ARG HB2 1 51 CYS HB3 . . 5.500 5.444 5.345 5.532 0.032 13 0 "[ . 1 . 2]" 3
1316 1 40 VAL MG1 1 47 ARG HB2 . . 4.800 3.566 3.373 3.739 . 0 0 "[ . 1 . 2]" 3
1317 1 47 ARG HB2 1 73 LEU MD1 . . 5.110 4.108 3.982 4.245 . 0 0 "[ . 1 . 2]" 3
1318 1 40 VAL MG2 1 47 ARG HB2 . . 5.090 4.628 4.453 4.761 . 0 0 "[ . 1 . 2]" 3
1319 1 47 ARG HG3 1 48 HIS H . . 5.400 5.282 5.242 5.318 . 0 0 "[ . 1 . 2]" 3
1320 1 29 ASP H 1 47 ARG HG3 . . 5.500 5.327 5.046 5.508 0.008 13 0 "[ . 1 . 2]" 3
1321 1 42 ALA MB 1 47 ARG HG3 . . 5.060 4.930 4.647 5.063 0.003 13 0 "[ . 1 . 2]" 3
1322 1 47 ARG HD3 1 73 LEU MD1 . . 4.710 4.637 4.431 4.738 0.028 2 0 "[ . 1 . 2]" 3
1323 1 48 HIS HB3 1 50 GLU HG2 . . 4.840 2.476 2.385 2.594 . 0 0 "[ . 1 . 2]" 3
1324 1 48 HIS HB2 1 50 GLU QB . . 5.500 5.290 5.233 5.369 . 0 0 "[ . 1 . 2]" 3
1325 1 35 ILE HG12 1 48 HIS HE1 . . 4.570 3.488 3.271 3.604 . 0 0 "[ . 1 . 2]" 3
1326 1 35 ILE MD 1 48 HIS HE1 . . 4.640 4.574 4.426 4.657 0.017 5 0 "[ . 1 . 2]" 3
1327 1 35 ILE HG13 1 48 HIS HE1 . . 4.470 3.868 3.710 4.010 . 0 0 "[ . 1 . 2]" 3
1328 1 28 CYS HB2 1 48 HIS HE1 . . 3.570 3.228 3.092 3.292 . 0 0 "[ . 1 . 2]" 3
1329 1 33 SER QB 1 48 HIS HE1 . . 3.170 2.286 1.978 3.344 0.174 18 0 "[ . 1 . 2]" 3
1330 1 28 CYS H 1 48 HIS HE1 . . 4.590 4.532 4.294 4.624 0.034 1 0 "[ . 1 . 2]" 3
1331 1 49 PRO HA 1 51 CYS H . . 4.620 4.603 4.497 4.677 0.057 19 0 "[ . 1 . 2]" 3
1332 1 40 VAL H 1 49 PRO HA . . 4.920 4.790 4.635 4.908 . 0 0 "[ . 1 . 2]" 3
1333 1 49 PRO HG3 1 50 GLU H . . 5.070 4.327 4.312 4.345 . 0 0 "[ . 1 . 2]" 3
1334 1 40 VAL H 1 49 PRO HD2 . . 5.500 5.482 5.339 5.576 0.076 10 0 "[ . 1 . 2]" 3
1335 1 48 HIS HB3 1 49 PRO HD3 . . 3.950 3.407 3.364 3.438 . 0 0 "[ . 1 . 2]" 3
1336 1 47 ARG HA 1 51 CYS HB3 . . 4.970 4.828 4.736 4.875 . 0 0 "[ . 1 . 2]" 3
1337 1 42 ALA MB 1 52 PHE QD . . 5.280 4.750 4.593 4.870 . 0 0 "[ . 1 . 2]" 3
1338 1 53 VAL HB 1 54 CYS HB3 . . 4.930 4.296 4.239 4.337 . 0 0 "[ . 1 . 2]" 3
1339 1 53 VAL MG2 1 55 ALA H . . 5.260 5.020 4.957 5.063 . 0 0 "[ . 1 . 2]" 3
1340 1 52 PHE H 1 53 VAL MG2 . . 4.970 4.816 4.762 4.904 . 0 0 "[ . 1 . 2]" 3
1341 1 53 VAL MG1 1 58 ASN HB3 . . 4.610 4.546 4.433 4.630 0.020 17 0 "[ . 1 . 2]" 3
1342 1 55 ALA HA 1 58 ASN H . . 4.870 4.097 4.055 4.163 . 0 0 "[ . 1 . 2]" 3
1343 1 55 ALA MB 1 72 GLU HG2 . . 3.160 2.374 2.147 2.598 . 0 0 "[ . 1 . 2]" 3
1344 1 55 ALA MB 1 72 GLU HG3 . . 3.160 2.422 2.140 2.718 . 0 0 "[ . 1 . 2]" 3
1345 1 56 ASP HB2 1 74 TYR QE . . 4.810 2.364 2.088 2.965 . 0 0 "[ . 1 . 2]" 3
1346 1 56 ASP HB3 1 74 TYR QE . . 4.930 3.979 3.733 4.392 . 0 0 "[ . 1 . 2]" 3
1347 1 52 PHE QD 1 62 LYS HG2 . . 5.390 5.030 4.933 5.299 . 0 0 "[ . 1 . 2]" 3
1348 1 52 PHE QD 1 62 LYS HG3 . . 5.390 4.761 4.571 4.897 . 0 0 "[ . 1 . 2]" 3
1349 1 40 VAL MG1 1 62 LYS QE . . 4.740 3.227 2.077 4.140 . 0 0 "[ . 1 . 2]" 3
1350 1 40 VAL MG2 1 62 LYS HA . . 4.890 4.276 4.120 4.476 . 0 0 "[ . 1 . 2]" 3
1351 1 61 LEU HB2 1 62 LYS HA . . 5.160 4.299 4.127 4.468 . 0 0 "[ . 1 . 2]" 3
1352 1 40 VAL MG1 1 62 LYS HA . . 4.860 3.094 2.924 3.282 . 0 0 "[ . 1 . 2]" 3
1353 1 62 LYS HB2 1 63 GLN H . . 4.970 3.691 3.637 3.746 . 0 0 "[ . 1 . 2]" 3
1354 1 52 PHE QE 1 62 LYS HB2 . . 4.970 4.626 4.488 4.825 . 0 0 "[ . 1 . 2]" 3
1355 1 52 PHE QE 1 62 LYS HB3 . . 5.500 5.449 5.278 5.541 0.041 9 0 "[ . 1 . 2]" 3
1356 1 63 GLN HA 1 63 GLN HE21 . . 4.770 4.669 4.510 4.785 0.015 14 0 "[ . 1 . 2]" 3
1357 1 63 GLN HB2 1 64 LYS HG3 . . 4.420 4.385 4.280 4.437 0.017 17 0 "[ . 1 . 2]" 3
1358 1 63 GLN HB2 1 64 LYS HG2 . . 4.930 4.864 4.794 4.937 0.007 4 0 "[ . 1 . 2]" 3
1359 1 62 LYS H 1 63 GLN QG . . 5.270 4.203 3.911 4.596 . 0 0 "[ . 1 . 2]" 3
1360 1 63 GLN HB3 1 63 GLN QG . . 2.660 2.276 2.213 2.469 . 0 0 "[ . 1 . 2]" 3
1361 1 62 LYS HG2 1 63 GLN QG . . 4.390 4.308 3.816 4.405 0.015 19 0 "[ . 1 . 2]" 3
1362 1 63 GLN QG 1 64 LYS HB2 . . 4.090 3.787 3.645 4.063 . 0 0 "[ . 1 . 2]" 3
1363 1 62 LYS HB3 1 63 GLN QG . . 4.060 3.342 3.098 3.687 . 0 0 "[ . 1 . 2]" 3
1364 1 64 LYS HB2 1 64 LYS QE . . 4.890 4.061 3.825 4.239 . 0 0 "[ . 1 . 2]" 3
1365 1 64 LYS HB3 1 64 LYS QE . . 4.190 4.060 3.745 4.175 . 0 0 "[ . 1 . 2]" 3
1366 1 61 LEU MD2 1 64 LYS QE . . 5.160 4.996 4.693 5.208 0.048 15 0 "[ . 1 . 2]" 3
1367 1 66 TYR QD 1 68 PHE H . . 4.840 4.544 4.256 4.801 . 0 0 "[ . 1 . 2]" 3
1368 1 66 TYR QE 1 68 PHE H . . 5.500 5.051 4.714 5.420 . 0 0 "[ . 1 . 2]" 3
1369 1 66 TYR QE 1 67 PHE H . . 5.250 5.038 4.894 5.223 . 0 0 "[ . 1 . 2]" 3
1370 1 67 PHE HA 1 69 VAL MG2 . . 5.140 4.807 4.730 4.899 . 0 0 "[ . 1 . 2]" 3
1371 1 67 PHE QD 1 68 PHE H . . 4.510 3.440 3.033 3.671 . 0 0 "[ . 1 . 2]" 3
1372 1 67 PHE HZ 1 76 GLU HB2 . . 5.240 5.122 4.694 5.261 0.021 4 0 "[ . 1 . 2]" 3
1373 1 68 PHE HA 1 73 LEU HB2 . . 5.500 5.513 5.396 5.599 0.099 7 0 "[ . 1 . 2]" 3
1374 1 68 PHE HA 1 79 ALA MB . . 5.500 5.440 5.337 5.512 0.012 11 0 "[ . 1 . 2]" 3
1375 1 68 PHE HA 1 73 LEU MD1 . . 5.500 5.221 5.005 5.468 . 0 0 "[ . 1 . 2]" 3
1376 1 68 PHE HB3 1 73 LEU MD2 . . 5.500 5.266 4.907 5.519 0.019 12 0 "[ . 1 . 2]" 3
1377 1 45 LYS QZ 1 68 PHE QE . . 5.470 2.591 1.877 3.498 . 0 0 "[ . 1 . 2]" 3
1378 1 66 TYR QE 1 68 PHE HZ . . 5.030 4.438 4.207 4.651 . 0 0 "[ . 1 . 2]" 3
1379 1 42 ALA HA 1 68 PHE HZ . . 5.450 5.408 5.229 5.482 0.032 14 0 "[ . 1 . 2]" 3
1380 1 68 PHE HZ 1 73 LEU MD1 . . 5.260 3.405 3.121 3.748 . 0 0 "[ . 1 . 2]" 3
1381 1 68 PHE HZ 1 73 LEU MD2 . . 4.780 3.679 3.483 3.817 . 0 0 "[ . 1 . 2]" 3
1382 1 69 VAL H 1 69 VAL MG1 . . 4.150 3.863 3.835 3.918 . 0 0 "[ . 1 . 2]" 3
1383 1 45 LYS QE 1 71 GLY HA2 . . 4.810 4.420 3.845 4.837 0.027 19 0 "[ . 1 . 2]" 3
1384 1 68 PHE HB3 1 71 GLY HA2 . . 5.000 4.531 4.414 4.771 . 0 0 "[ . 1 . 2]" 3
1385 1 72 GLU HB3 1 74 TYR QD . . 5.500 3.648 3.509 3.879 . 0 0 "[ . 1 . 2]" 3
1386 1 66 TYR QB 1 73 LEU HB3 . . 4.910 4.257 4.100 4.405 . 0 0 "[ . 1 . 2]" 3
1387 1 68 PHE QE 1 73 LEU HG . . 5.290 3.121 2.794 3.535 . 0 0 "[ . 1 . 2]" 3
1388 1 68 PHE QD 1 73 LEU HG . . 5.330 3.601 3.180 4.052 . 0 0 "[ . 1 . 2]" 3
1389 1 47 ARG QH1 1 73 LEU MD1 . . 4.790 1.917 1.762 2.029 . 0 0 "[ . 1 . 2]" 3
1390 1 69 VAL H 1 73 LEU MD2 . . 5.100 5.022 4.747 5.222 0.122 19 0 "[ . 1 . 2]" 3
1391 1 67 PHE H 1 73 LEU MD2 . . 4.390 2.127 1.985 2.364 . 0 0 "[ . 1 . 2]" 3
1392 1 74 TYR HB3 1 78 HIS H . . 4.990 4.529 4.466 4.604 . 0 0 "[ . 1 . 2]" 3
1393 1 74 TYR QD 1 79 ALA HA . . 4.560 3.925 3.649 4.060 . 0 0 "[ . 1 . 2]" 3
1394 1 61 LEU HA 1 75 CYS HB2 . . 5.500 5.522 5.398 5.578 0.078 5 0 "[ . 1 . 2]" 3
1395 1 54 CYS HA 1 75 CYS HB3 . . 5.230 4.582 4.465 4.695 . 0 0 "[ . 1 . 2]" 3
1396 1 61 LEU HA 1 75 CYS HB3 . . 5.500 5.154 5.057 5.259 . 0 0 "[ . 1 . 2]" 3
1397 1 76 GLU HA 1 80 ARG H . . 4.820 3.452 3.342 3.549 . 0 0 "[ . 1 . 2]" 3
1398 1 76 GLU HG2 1 79 ALA MB . . 5.260 4.856 4.558 5.092 . 0 0 "[ . 1 . 2]" 3
1399 1 76 GLU HG3 1 79 ALA MB . . 5.260 4.703 4.445 4.955 . 0 0 "[ . 1 . 2]" 3
1400 1 77 THR HA 1 79 ALA H . . 5.040 5.049 4.973 5.151 0.111 20 0 "[ . 1 . 2]" 3
1401 1 77 THR HA 1 81 ALA H . . 5.190 4.743 4.608 4.943 . 0 0 "[ . 1 . 2]" 3
1402 1 74 TYR QD 1 78 HIS HB2 . . 3.870 3.083 2.868 3.305 . 0 0 "[ . 1 . 2]" 3
1403 1 74 TYR HB2 1 78 HIS HB3 . . 4.960 4.551 4.381 4.699 . 0 0 "[ . 1 . 2]" 3
1404 1 78 HIS HB2 1 81 ALA MB . . 5.130 5.098 5.026 5.175 0.045 4 0 "[ . 1 . 2]" 3
1405 1 77 THR MG 1 78 HIS HE1 . . 5.140 5.035 4.945 5.157 0.017 11 0 "[ . 1 . 2]" 3
1406 1 56 ASP HB3 1 78 HIS HE1 . . 4.960 2.542 2.491 2.600 . 0 0 "[ . 1 . 2]" 3
1407 1 56 ASP HB2 1 78 HIS HE1 . . 5.350 4.201 3.580 4.326 . 0 0 "[ . 1 . 2]" 3
1408 1 57 CYS HB3 1 78 HIS HE1 . . 2.770 1.969 1.904 1.996 . 0 0 "[ . 1 . 2]" 3
1409 1 77 THR HB 1 78 HIS HE1 . . 5.500 5.496 5.377 5.522 0.022 11 0 "[ . 1 . 2]" 3
1410 1 57 CYS HA 1 78 HIS HE1 . . 3.850 3.768 3.599 3.819 . 0 0 "[ . 1 . 2]" 3
1411 1 58 ASN H 1 78 HIS HE1 . . 5.410 5.186 5.124 5.266 . 0 0 "[ . 1 . 2]" 3
1412 1 56 ASP H 1 78 HIS HE1 . . 5.500 4.801 4.754 4.895 . 0 0 "[ . 1 . 2]" 3
1413 1 79 ALA H 1 80 ARG HA . . 5.500 5.558 5.529 5.599 0.099 20 0 "[ . 1 . 2]" 3
1414 1 69 VAL MG2 1 80 ARG HA . . 5.500 5.486 5.270 5.555 0.055 6 0 "[ . 1 . 2]" 3
1415 1 80 ARG HG3 1 81 ALA H . . 5.300 4.761 4.681 4.872 . 0 0 "[ . 1 . 2]" 3
1416 1 79 ALA MB 1 80 ARG QD . . 5.500 5.065 4.685 5.367 . 0 0 "[ . 1 . 2]" 3
1417 1 80 ARG QD 1 83 THR MG . . 5.500 5.240 4.951 5.511 0.011 4 0 "[ . 1 . 2]" 3
1418 1 67 PHE QE 1 80 ARG QD . . 5.500 4.948 4.487 5.343 . 0 0 "[ . 1 . 2]" 3
1419 1 81 ALA HA 1 83 THR H . . 5.450 5.160 3.959 5.346 . 0 0 "[ . 1 . 2]" 3
1420 1 80 ARG H 1 81 ALA HA . . 5.500 5.444 5.390 5.477 . 0 0 "[ . 1 . 2]" 3
1421 1 69 VAL MG1 1 82 ARG HG2 . . 5.090 3.356 2.850 4.057 . 0 0 "[ . 1 . 2]" 3
1422 1 69 VAL MG1 1 82 ARG HG3 . . 5.090 4.213 3.892 4.518 . 0 0 "[ . 1 . 2]" 3
1423 1 69 VAL MG2 1 83 THR MG . . 3.290 3.217 2.339 3.406 0.116 16 0 "[ . 1 . 2]" 3
1424 1 81 ALA MB 1 84 SER QB . . 5.210 4.492 3.771 5.244 0.034 4 0 "[ . 1 . 2]" 3
1425 1 83 THR H 1 84 SER QB . . 4.810 4.629 4.390 4.801 . 0 0 "[ . 1 . 2]" 3
1426 1 84 SER H 1 84 SER QB . . 3.590 2.571 2.215 2.969 . 0 0 "[ . 1 . 2]" 3
1427 1 65 GLY HA2 1 66 TYR QD . . 4.460 3.923 3.748 4.050 . 0 0 "[ . 1 . 2]" 3
1428 1 42 ALA MB 1 73 LEU MD1 . . 3.770 3.578 3.405 3.775 0.005 10 0 "[ . 1 . 2]" 3
1429 1 56 ASP H 1 78 HIS HB3 . . 5.500 5.316 5.092 5.458 . 0 0 "[ . 1 . 2]" 3
1430 1 72 GLU HB3 1 74 TYR QE . . 3.720 2.021 1.978 2.095 . 0 0 "[ . 1 . 2]" 3
1431 1 51 CYS H 1 53 VAL MG1 . . 4.920 4.756 4.692 4.813 . 0 0 "[ . 1 . 2]" 3
1432 1 53 VAL MG1 1 58 ASN HA . . 4.120 4.037 3.976 4.085 . 0 0 "[ . 1 . 2]" 3
1433 1 53 VAL MG2 1 58 ASN HA . . 3.170 2.199 2.068 2.296 . 0 0 "[ . 1 . 2]" 3
1434 1 12 VAL H 1 12 VAL HB . . 4.200 3.383 2.642 3.955 . 0 0 "[ . 1 . 2]" 3
1435 1 52 PHE QD 1 73 LEU MD2 . . 4.390 4.275 4.141 4.369 . 0 0 "[ . 1 . 2]" 3
1436 1 52 PHE HZ 1 73 LEU MD2 . . 4.870 2.745 2.363 2.956 . 0 0 "[ . 1 . 2]" 3
1437 1 66 TYR HA 1 73 LEU MD2 . . 4.900 3.401 3.233 3.519 . 0 0 "[ . 1 . 2]" 3
1438 1 45 LYS HB2 1 73 LEU MD1 . . 4.940 4.678 4.427 4.885 . 0 0 "[ . 1 . 2]" 3
1439 1 55 ALA MB 1 57 CYS H . . 5.040 4.892 4.855 4.958 . 0 0 "[ . 1 . 2]" 3
1440 1 52 PHE HZ 1 66 TYR QE . . 4.660 4.585 4.459 4.701 0.041 9 0 "[ . 1 . 2]" 3
1441 1 10 ALA HA 1 11 PRO QG . . 4.940 3.853 3.767 4.073 . 0 0 "[ . 1 . 2]" 3
1442 1 60 ASN HA 1 61 LEU MD1 . . 5.390 5.107 5.014 5.201 . 0 0 "[ . 1 . 2]" 3
1443 1 56 ASP H 1 74 TYR HA . . 4.540 4.248 4.130 4.364 . 0 0 "[ . 1 . 2]" 3
1444 1 73 LEU HA 1 74 TYR HA . . 4.820 4.523 4.484 4.557 . 0 0 "[ . 1 . 2]" 3
1445 1 54 CYS HA 1 56 ASP H . . 4.440 4.023 3.964 4.053 . 0 0 "[ . 1 . 2]" 3
1446 1 68 PHE HA 1 74 TYR QD . . 4.580 4.386 4.105 4.544 . 0 0 "[ . 1 . 2]" 3
1447 1 74 TYR QD 1 78 HIS H . . 5.500 5.319 5.125 5.526 0.026 20 0 "[ . 1 . 2]" 3
1448 1 59 LEU H 1 61 LEU MD2 . . 4.490 3.895 3.489 4.176 . 0 0 "[ . 1 . 2]" 3
1449 1 74 TYR HA 1 78 HIS HB2 . . 4.570 4.172 4.071 4.331 . 0 0 "[ . 1 . 2]" 3
1450 1 13 THR MG 1 14 LYS H . . 4.810 3.721 3.314 4.124 . 0 0 "[ . 1 . 2]" 3
1451 1 43 ARG HD2 1 68 PHE QE . . 4.850 3.546 2.790 4.531 . 0 0 "[ . 1 . 2]" 3
1452 1 43 ARG HD2 1 44 ASP H . . 4.940 4.734 4.272 4.955 0.015 4 0 "[ . 1 . 2]" 3
1453 1 48 HIS HB3 1 51 CYS HB3 . . 5.080 4.928 4.852 5.016 . 0 0 "[ . 1 . 2]" 3
1454 1 28 CYS HB2 1 48 HIS HB2 . . 5.500 4.234 4.082 4.367 . 0 0 "[ . 1 . 2]" 3
1455 1 48 HIS HB3 1 50 GLU HG3 . . 4.840 3.830 3.414 4.180 . 0 0 "[ . 1 . 2]" 3
1456 1 30 LYS HB2 1 51 CYS HA . . 5.100 4.892 4.301 5.062 . 0 0 "[ . 1 . 2]" 3
1457 1 53 VAL HB 1 54 CYS HB2 . . 4.910 4.547 4.467 4.626 . 0 0 "[ . 1 . 2]" 3
1458 1 53 VAL MG2 1 59 LEU H . . 4.850 4.149 4.069 4.311 . 0 0 "[ . 1 . 2]" 3
1459 1 53 VAL MG2 1 58 ASN HD22 . . 4.870 2.110 1.948 2.293 . 0 0 "[ . 1 . 2]" 3
1460 1 53 VAL MG2 1 60 ASN HA . . 4.830 4.612 4.487 4.751 . 0 0 "[ . 1 . 2]" 3
1461 1 51 CYS HB3 1 53 VAL MG2 . . 4.870 4.504 4.437 4.573 . 0 0 "[ . 1 . 2]" 3
1462 1 55 ALA HA 1 57 CYS H . . 4.990 4.734 4.684 4.761 . 0 0 "[ . 1 . 2]" 3
1463 1 55 ALA MB 1 73 LEU H . . 3.760 3.464 3.332 3.665 . 0 0 "[ . 1 . 2]" 3
1464 1 55 ALA MB 1 56 ASP HB3 . . 5.330 5.079 4.991 5.450 0.120 13 0 "[ . 1 . 2]" 3
1465 1 55 ALA MB 1 56 ASP HB2 . . 5.240 3.991 3.863 4.301 . 0 0 "[ . 1 . 2]" 3
1466 1 55 ALA MB 1 72 GLU HB2 . . 4.360 4.343 4.243 4.399 0.039 17 0 "[ . 1 . 2]" 3
1467 1 56 ASP HB3 1 57 CYS HB3 . . 5.090 3.756 3.716 3.891 . 0 0 "[ . 1 . 2]" 3
1468 1 56 ASP HB2 1 57 CYS HB3 . . 5.500 5.379 4.674 5.497 . 0 0 "[ . 1 . 2]" 3
1469 1 57 CYS HB2 1 59 LEU H . . 4.600 4.195 4.011 4.348 . 0 0 "[ . 1 . 2]" 3
1470 1 57 CYS HB3 1 59 LEU H . . 5.050 4.982 4.832 5.064 0.014 19 0 "[ . 1 . 2]" 3
1471 1 30 LYS QE 1 58 ASN HA . . 5.500 4.979 4.514 5.265 . 0 0 "[ . 1 . 2]" 3
1472 1 57 CYS HA 1 58 ASN HB3 . . 5.120 4.705 4.610 4.761 . 0 0 "[ . 1 . 2]" 3
1473 1 60 ASN HA 1 61 LEU MD2 . . 4.720 4.448 4.273 4.631 . 0 0 "[ . 1 . 2]" 3
1474 1 60 ASN HA 1 61 LEU HB2 . . 5.030 4.731 4.637 4.869 . 0 0 "[ . 1 . 2]" 3
1475 1 69 VAL HA 1 70 GLU HG2 . . 5.250 4.601 3.994 5.256 0.006 20 0 "[ . 1 . 2]" 3
1476 1 69 VAL HA 1 70 GLU HG3 . . 5.250 4.380 3.632 5.273 0.023 15 0 "[ . 1 . 2]" 3
1477 1 54 CYS H 1 74 TYR HA . . 5.260 5.189 5.078 5.293 0.033 6 0 "[ . 1 . 2]" 3
1478 1 74 TYR HA 1 74 TYR QE . . 5.000 4.513 4.461 4.560 . 0 0 "[ . 1 . 2]" 3
1479 1 74 TYR HA 1 75 CYS HA . . 4.900 4.324 4.317 4.333 . 0 0 "[ . 1 . 2]" 3
1480 1 61 LEU HA 1 75 CYS HA . . 4.890 4.673 4.509 4.828 . 0 0 "[ . 1 . 2]" 3
1481 1 75 CYS HA 1 76 GLU HB3 . . 5.290 5.188 4.953 5.321 0.031 4 0 "[ . 1 . 2]" 3
1482 1 77 THR HB 1 80 ARG QB . . 5.500 5.512 5.449 5.566 0.066 10 0 "[ . 1 . 2]" 3
1483 1 68 PHE H 1 83 THR HB . . 5.500 5.469 5.294 5.581 0.081 20 0 "[ . 1 . 2]" 3
1484 1 53 VAL MG1 1 58 ASN HB2 . . 5.500 5.274 5.145 5.396 . 0 0 "[ . 1 . 2]" 3
1485 1 49 PRO HA 1 52 PHE HB2 . . 4.120 3.915 3.856 4.006 . 0 0 "[ . 1 . 2]" 3
1486 1 57 CYS H 1 57 CYS HB2 . . 3.790 3.736 3.723 3.743 . 0 0 "[ . 1 . 2]" 3
1487 1 9 ARG HA 1 9 ARG QD . . 4.700 3.450 1.987 4.382 . 0 0 "[ . 1 . 2]" 3
1488 1 27 LEU HA 1 34 GLY HA3 . . 4.590 4.608 4.443 4.700 0.110 17 0 "[ . 1 . 2]" 3
1489 1 27 LEU HA 1 35 ILE HG12 . . 5.000 4.830 4.684 5.023 0.023 3 0 "[ . 1 . 2]" 3
1490 1 48 HIS HB3 1 49 PRO HD2 . . 3.820 1.955 1.903 1.992 . 0 0 "[ . 1 . 2]" 3
1491 1 48 HIS HB2 1 50 GLU HG3 . . 5.000 4.292 3.860 4.595 . 0 0 "[ . 1 . 2]" 3
1492 1 47 ARG HG3 1 73 LEU MD1 . . 3.720 2.678 2.517 2.771 . 0 0 "[ . 1 . 2]" 3
1493 1 40 VAL HB 1 52 PHE HB3 . . 4.910 4.351 4.119 4.512 . 0 0 "[ . 1 . 2]" 3
1494 1 28 CYS H 1 34 GLY HA3 . . 5.460 5.319 5.214 5.414 . 0 0 "[ . 1 . 2]" 3
1495 1 28 CYS H 1 34 GLY HA2 . . 4.110 3.821 3.711 3.933 . 0 0 "[ . 1 . 2]" 3
1496 1 33 SER HA 1 34 GLY HA2 . . 4.730 4.358 4.338 4.377 . 0 0 "[ . 1 . 2]" 3
1497 1 25 MET HG2 1 34 GLY HA3 . . 4.750 4.136 3.955 4.448 . 0 0 "[ . 1 . 2]" 3
1498 1 25 MET ME 1 34 GLY HA2 . . 5.090 2.540 1.920 3.236 . 0 0 "[ . 1 . 2]" 3
1499 1 39 VAL H 1 40 VAL MG2 . . 4.650 4.200 4.046 4.264 . 0 0 "[ . 1 . 2]" 3
1500 1 48 HIS HD2 1 49 PRO HD2 . . 4.090 2.543 2.397 2.641 . 0 0 "[ . 1 . 2]" 3
1501 1 67 PHE QD 1 76 GLU HB2 . . 4.780 4.501 4.229 4.733 . 0 0 "[ . 1 . 2]" 3
1502 1 67 PHE QD 1 69 VAL MG2 . . 5.170 3.363 3.161 3.464 . 0 0 "[ . 1 . 2]" 3
1503 1 67 PHE QE 1 75 CYS HA . . 5.500 5.499 5.388 5.543 0.043 5 0 "[ . 1 . 2]" 3
1504 1 27 LEU HA 1 35 ILE HG13 . . 3.700 3.171 3.010 3.410 . 0 0 "[ . 1 . 2]" 3
1505 1 30 LYS HA 1 30 LYS QE . . 4.460 4.135 3.688 4.473 0.013 20 0 "[ . 1 . 2]" 3
1506 1 45 LYS QE 1 73 LEU HG . . 4.640 4.369 4.163 4.519 . 0 0 "[ . 1 . 2]" 3
1507 1 48 HIS HD2 1 50 GLU H . . 5.400 5.049 4.948 5.110 . 0 0 "[ . 1 . 2]" 3
1508 1 41 LYS HB3 1 46 TYR QD . . 5.130 3.316 3.188 3.545 . 0 0 "[ . 1 . 2]" 3
1509 1 41 LYS HE2 1 46 TYR QD . . 5.500 5.329 5.010 5.797 0.297 11 0 "[ . 1 . 2]" 3
1510 1 41 LYS HE3 1 46 TYR QD . . 5.500 4.786 4.085 5.640 0.140 4 0 "[ . 1 . 2]" 3
1511 1 35 ILE HG13 1 48 HIS HD2 . . 5.180 4.514 4.378 4.714 . 0 0 "[ . 1 . 2]" 3
1512 1 35 ILE HG13 1 48 HIS H . . 5.500 5.578 5.546 5.619 0.119 10 0 "[ . 1 . 2]" 3
1513 1 34 GLY HA3 1 35 ILE HG13 . . 4.700 4.658 4.507 4.717 0.017 7 0 "[ . 1 . 2]" 3
1514 1 34 GLY HA2 1 35 ILE HG12 . . 5.150 5.136 5.066 5.207 0.057 18 0 "[ . 1 . 2]" 3
1515 1 61 LEU HB3 1 66 TYR QD . . 4.860 4.592 4.493 4.667 . 0 0 "[ . 1 . 2]" 3
1516 1 53 VAL HA 1 60 ASN QB . . 5.080 4.729 4.474 4.939 . 0 0 "[ . 1 . 2]" 3
1517 1 53 VAL HA 1 61 LEU HB3 . . 5.220 4.889 4.693 5.094 . 0 0 "[ . 1 . 2]" 3
1518 1 53 VAL HA 1 54 CYS HA . . 4.760 4.308 4.303 4.316 . 0 0 "[ . 1 . 2]" 3
1519 1 53 VAL HA 1 61 LEU HA . . 5.240 4.667 4.531 4.819 . 0 0 "[ . 1 . 2]" 3
1520 1 53 VAL HA 1 61 LEU HB2 . . 4.380 3.745 3.424 4.187 . 0 0 "[ . 1 . 2]" 3
1521 1 61 LEU HB2 1 66 TYR HA . . 5.430 3.936 3.538 4.341 . 0 0 "[ . 1 . 2]" 3
1522 1 56 ASP HB2 1 78 HIS HD2 . . 4.900 4.778 4.400 4.924 0.024 9 0 "[ . 1 . 2]" 3
1523 1 56 ASP HB3 1 74 TYR QD . . 4.190 3.725 3.527 4.233 0.043 8 0 "[ . 1 . 2]" 3
1524 1 27 LEU HG 1 32 GLY HA3 . . 5.320 4.926 4.778 5.075 . 0 0 "[ . 1 . 2]" 3
1525 1 27 LEU HB2 1 32 GLY HA2 . . 5.500 5.494 5.412 5.610 0.110 20 0 "[ . 1 . 2]" 3
1526 1 26 PRO HB3 1 46 TYR QE . . 5.070 3.973 3.802 4.083 . 0 0 "[ . 1 . 2]" 3
1527 1 7 GLY QA 1 8 VAL QG . . 4.290 3.311 2.861 3.887 . 0 0 "[ . 1 . 2]" 3
1528 1 8 VAL H 1 8 VAL QG . . 4.180 2.373 1.871 2.926 . 0 0 "[ . 1 . 2]" 3
1529 1 10 ALA MB 1 11 PRO QD . . 3.410 2.658 1.926 3.190 . 0 0 "[ . 1 . 2]" 3
1530 1 11 PRO HA 1 12 VAL QG . . 4.830 3.439 3.122 3.800 . 0 0 "[ . 1 . 2]" 3
1531 1 12 VAL QG 1 13 THR H . . 5.330 2.755 1.924 3.554 . 0 0 "[ . 1 . 2]" 3
1532 1 12 VAL QG 1 13 THR HA . . 4.790 3.580 3.149 4.073 . 0 0 "[ . 1 . 2]" 3
1533 1 15 VAL H 1 15 VAL QG . . 4.180 2.352 1.914 2.941 . 0 0 "[ . 1 . 2]" 3
1534 1 24 ARG HA 1 24 ARG QG . . 3.370 2.616 2.188 3.342 . 0 0 "[ . 1 . 2]" 3
1535 1 24 ARG QB 1 25 MET H . . 4.300 3.580 2.484 3.977 . 0 0 "[ . 1 . 2]" 3
1536 1 24 ARG QB 1 25 MET HA . . 5.060 4.475 4.095 4.859 . 0 0 "[ . 1 . 2]" 3
1537 1 25 MET H 1 25 MET QB . . 3.590 2.869 2.268 3.199 . 0 0 "[ . 1 . 2]" 3
1538 1 25 MET QB 1 26 PRO QD . . 3.410 2.065 1.956 3.089 . 0 0 "[ . 1 . 2]" 3
1539 1 25 MET QB 1 35 ILE H . . 4.070 3.744 3.595 4.027 . 0 0 "[ . 1 . 2]" 3
1540 1 25 MET QB 1 36 VAL QG . . 4.980 3.324 2.727 3.912 . 0 0 "[ . 1 . 2]" 3
1541 1 25 MET HG2 1 36 VAL QG . . 5.050 4.344 3.719 4.911 . 0 0 "[ . 1 . 2]" 3
1542 1 25 MET HG3 1 36 VAL QG . . 4.270 3.102 2.352 3.721 . 0 0 "[ . 1 . 2]" 3
1543 1 30 LYS QG 1 31 CYS QB . . 4.390 3.390 3.230 3.921 . 0 0 "[ . 1 . 2]" 3
1544 1 31 CYS H 1 31 CYS QB . . 3.200 2.841 2.804 2.887 . 0 0 "[ . 1 . 2]" 3
1545 1 31 CYS QB 1 32 GLY H . . 4.340 3.944 3.548 3.987 . 0 0 "[ . 1 . 2]" 3
1546 1 31 CYS QB 1 33 SER H . . 4.400 4.148 3.927 4.230 . 0 0 "[ . 1 . 2]" 3
1547 1 31 CYS QB 1 33 SER QB . . 4.430 3.392 3.093 3.655 . 0 0 "[ . 1 . 2]" 3
1548 1 35 ILE HA 1 36 VAL QG . . 3.980 3.606 3.443 3.792 . 0 0 "[ . 1 . 2]" 3
1549 1 36 VAL H 1 36 VAL QG . . 3.130 2.638 2.188 3.020 . 0 0 "[ . 1 . 2]" 3
1550 1 36 VAL HA 1 36 VAL QG . . 2.720 2.243 2.079 2.425 . 0 0 "[ . 1 . 2]" 3
1551 1 36 VAL QG 1 37 GLY H . . 3.420 2.709 2.433 2.908 . 0 0 "[ . 1 . 2]" 3
1552 1 36 VAL QG 1 37 GLY HA2 . . 4.280 3.392 3.184 3.571 . 0 0 "[ . 1 . 2]" 3
1553 1 36 VAL QG 1 37 GLY HA3 . . 4.060 3.468 3.234 3.726 . 0 0 "[ . 1 . 2]" 3
1554 1 38 ALA MB 1 49 PRO QG . . 3.050 1.961 1.927 2.041 . 0 0 "[ . 1 . 2]" 3
1555 1 40 VAL MG2 1 49 PRO QG . . 4.710 4.061 3.915 4.207 . 0 0 "[ . 1 . 2]" 3
1556 1 40 VAL MG2 1 62 LYS QD . . 4.690 2.120 1.918 2.381 . 0 0 "[ . 1 . 2]" 3
1557 1 41 LYS HB2 1 41 LYS QE . . 4.220 3.850 3.605 4.149 . 0 0 "[ . 1 . 2]" 3
1558 1 41 LYS HB3 1 41 LYS QE . . 4.590 3.996 3.934 4.068 . 0 0 "[ . 1 . 2]" 3
1559 1 41 LYS QE 1 41 LYS HG2 . . 3.330 2.653 2.544 2.778 . 0 0 "[ . 1 . 2]" 3
1560 1 41 LYS QE 1 41 LYS HG3 . . 3.360 2.305 2.181 2.543 . 0 0 "[ . 1 . 2]" 3
1561 1 41 LYS QE 1 46 TYR QE . . 3.970 3.120 2.483 3.929 . 0 0 "[ . 1 . 2]" 3
1562 1 43 ARG HA 1 43 ARG QG . . 3.130 2.298 2.153 2.676 . 0 0 "[ . 1 . 2]" 3
1563 1 43 ARG QB 1 43 ARG QD . . 3.010 2.114 2.050 2.161 . 0 0 "[ . 1 . 2]" 3
1564 1 43 ARG QB 1 44 ASP QB . . 4.600 3.427 3.118 3.876 . 0 0 "[ . 1 . 2]" 3
1565 1 43 ARG QB 1 45 LYS H . . 3.940 3.319 3.175 3.366 . 0 0 "[ . 1 . 2]" 3
1566 1 43 ARG QG 1 68 PHE QE . . 4.780 3.893 2.816 4.568 . 0 0 "[ . 1 . 2]" 3
1567 1 43 ARG QD 1 44 ASP H . . 4.320 4.003 3.899 4.311 . 0 0 "[ . 1 . 2]" 3
1568 1 43 ARG QD 1 68 PHE QE . . 4.240 3.400 2.761 4.095 . 0 0 "[ . 1 . 2]" 3
1569 1 44 ASP QB 1 45 LYS H . . 3.990 3.146 2.893 3.658 . 0 0 "[ . 1 . 2]" 3
1570 1 48 HIS HB2 1 50 GLU QG . . 4.340 3.373 3.289 3.460 . 0 0 "[ . 1 . 2]" 3
1571 1 49 PRO QG 1 50 GLU H . . 4.340 2.916 2.898 2.939 . 0 0 "[ . 1 . 2]" 3
1572 1 50 GLU H 1 50 GLU QG . . 3.420 2.107 1.989 2.249 . 0 0 "[ . 1 . 2]" 3
1573 1 50 GLU HA 1 50 GLU QG . . 3.430 3.336 3.328 3.340 . 0 0 "[ . 1 . 2]" 3
1574 1 50 GLU HA 1 60 ASN QD . . 3.550 3.140 2.766 3.532 . 0 0 "[ . 1 . 2]" 3
1575 1 50 GLU QG 1 51 CYS H . . 3.580 2.375 2.226 2.490 . 0 0 "[ . 1 . 2]" 3
1576 1 50 GLU QG 1 51 CYS HA . . 4.810 3.352 3.199 3.487 . 0 0 "[ . 1 . 2]" 3
1577 1 52 PHE QD 1 62 LYS QG . . 4.640 4.348 4.263 4.517 . 0 0 "[ . 1 . 2]" 3
1578 1 53 VAL MG1 1 58 ASN QD . . 4.850 3.103 2.361 4.141 . 0 0 "[ . 1 . 2]" 3
1579 1 53 VAL MG1 1 60 ASN QD . . 3.290 2.386 1.933 3.014 . 0 0 "[ . 1 . 2]" 3
1580 1 53 VAL MG2 1 58 ASN QD . . 4.060 2.052 1.886 2.235 . 0 0 "[ . 1 . 2]" 3
1581 1 54 CYS H 1 59 LEU QB . . 4.080 3.458 3.383 3.553 . 0 0 "[ . 1 . 2]" 3
1582 1 54 CYS HB2 1 59 LEU QB . . 3.790 2.840 2.688 3.001 . 0 0 "[ . 1 . 2]" 3
1583 1 54 CYS HB3 1 59 LEU QB . . 3.660 3.374 3.300 3.436 . 0 0 "[ . 1 . 2]" 3
1584 1 55 ALA MB 1 72 GLU QB . . 3.760 3.691 3.533 3.786 0.026 15 0 "[ . 1 . 2]" 3
1585 1 57 CYS H 1 59 LEU QB . . 5.270 4.646 4.562 4.752 . 0 0 "[ . 1 . 2]" 3
1586 1 58 ASN H 1 59 LEU QB . . 5.210 4.298 4.200 4.364 . 0 0 "[ . 1 . 2]" 3
1587 1 58 ASN HB3 1 58 ASN QD . . 3.330 2.552 2.122 3.321 . 0 0 "[ . 1 . 2]" 3
1588 1 59 LEU H 1 59 LEU QD . . 3.890 3.781 3.746 3.817 . 0 0 "[ . 1 . 2]" 3
1589 1 59 LEU HA 1 59 LEU QD . . 2.720 2.315 1.987 2.606 . 0 0 "[ . 1 . 2]" 3
1590 1 59 LEU QB 1 59 LEU QD . . 2.480 1.915 1.862 1.953 . 0 0 "[ . 1 . 2]" 3
1591 1 59 LEU QB 1 60 ASN H . . 3.770 3.553 3.459 3.621 . 0 0 "[ . 1 . 2]" 3
1592 1 59 LEU QB 1 61 LEU MD2 . . 3.910 2.906 2.579 3.305 . 0 0 "[ . 1 . 2]" 3
1593 1 59 LEU QB 1 75 CYS H . . 5.340 4.831 4.636 4.990 . 0 0 "[ . 1 . 2]" 3
1594 1 59 LEU QB 1 75 CYS HB2 . . 4.400 3.717 3.468 3.857 . 0 0 "[ . 1 . 2]" 3
1595 1 59 LEU QB 1 75 CYS HB3 . . 4.310 2.729 2.513 2.850 . 0 0 "[ . 1 . 2]" 3
1596 1 59 LEU QD 1 60 ASN H . . 3.020 2.107 1.855 2.536 . 0 0 "[ . 1 . 2]" 3
1597 1 59 LEU QD 1 60 ASN QB . . 4.000 2.961 2.722 3.358 . 0 0 "[ . 1 . 2]" 3
1598 1 59 LEU QD 1 61 LEU HA . . 5.420 4.228 3.813 4.724 . 0 0 "[ . 1 . 2]" 3
1599 1 59 LEU QD 1 61 LEU MD2 . . 3.890 3.277 3.038 3.619 . 0 0 "[ . 1 . 2]" 3
1600 1 59 LEU QD 1 64 LYS QD . . 3.730 1.983 1.880 2.243 . 0 0 "[ . 1 . 2]" 3
1601 1 59 LEU QD 1 64 LYS QE . . 3.230 1.877 1.694 2.696 . 0 0 "[ . 1 . 2]" 3
1602 1 59 LEU QD 1 75 CYS HA . . 4.970 4.532 4.045 4.700 . 0 0 "[ . 1 . 2]" 3
1603 1 59 LEU QD 1 75 CYS HB2 . . 3.450 2.976 2.483 3.273 . 0 0 "[ . 1 . 2]" 3
1604 1 59 LEU QD 1 75 CYS HB3 . . 3.530 3.073 2.531 3.262 . 0 0 "[ . 1 . 2]" 3
1605 1 59 LEU QD 1 76 GLU H . . 4.890 4.684 4.304 4.871 . 0 0 "[ . 1 . 2]" 3
1606 1 60 ASN H 1 60 ASN QD . . 4.250 3.797 3.543 4.180 . 0 0 "[ . 1 . 2]" 3
1607 1 60 ASN HA 1 60 ASN QD . . 3.830 2.329 2.117 2.652 . 0 0 "[ . 1 . 2]" 3
1608 1 61 LEU MD2 1 64 LYS QD . . 4.080 3.431 3.218 3.728 . 0 0 "[ . 1 . 2]" 3
1609 1 62 LYS H 1 62 LYS QG . . 4.080 3.968 3.868 4.027 . 0 0 "[ . 1 . 2]" 3
1610 1 62 LYS HA 1 62 LYS QG . . 3.330 2.979 2.785 3.094 . 0 0 "[ . 1 . 2]" 3
1611 1 62 LYS HA 1 62 LYS QD . . 3.810 2.502 2.197 3.010 . 0 0 "[ . 1 . 2]" 3
1612 1 62 LYS QG 1 63 GLN HA . . 4.730 3.074 2.963 3.292 . 0 0 "[ . 1 . 2]" 3
1613 1 62 LYS QG 1 63 GLN HB3 . . 4.610 3.373 3.174 3.606 . 0 0 "[ . 1 . 2]" 3
1614 1 62 LYS QG 1 63 GLN QG . . 3.770 3.649 3.468 3.768 . 0 0 "[ . 1 . 2]" 3
1615 1 64 LYS H 1 64 LYS QD . . 4.910 3.884 3.793 4.025 . 0 0 "[ . 1 . 2]" 3
1616 1 64 LYS HA 1 64 LYS QD . . 4.060 3.976 3.905 4.019 . 0 0 "[ . 1 . 2]" 3
1617 1 67 PHE QD 1 82 ARG QD . . 5.340 5.316 5.158 5.416 0.076 16 0 "[ . 1 . 2]" 3
1618 1 67 PHE QE 1 76 GLU QG . . 3.840 2.540 2.133 2.944 . 0 0 "[ . 1 . 2]" 3
1619 1 67 PHE HZ 1 76 GLU QG . . 4.760 3.046 2.653 3.377 . 0 0 "[ . 1 . 2]" 3
1620 1 69 VAL HA 1 70 GLU QG . . 4.520 3.841 3.558 3.981 . 0 0 "[ . 1 . 2]" 3
1621 1 69 VAL MG1 1 70 GLU QB . . 3.450 2.961 2.694 3.218 . 0 0 "[ . 1 . 2]" 3
1622 1 69 VAL MG1 1 70 GLU QG . . 3.030 2.108 1.846 2.480 . 0 0 "[ . 1 . 2]" 3
1623 1 69 VAL MG1 1 82 ARG QG . . 4.280 3.224 2.783 3.708 . 0 0 "[ . 1 . 2]" 3
1624 1 69 VAL MG1 1 82 ARG QD . . 4.030 2.678 1.994 3.290 . 0 0 "[ . 1 . 2]" 3
1625 1 69 VAL MG2 1 82 ARG QG . . 5.280 3.607 3.407 3.843 . 0 0 "[ . 1 . 2]" 3
1626 1 69 VAL MG2 1 82 ARG QD . . 3.720 2.125 1.926 2.519 . 0 0 "[ . 1 . 2]" 3
1627 1 70 GLU HA 1 70 GLU QG . . 3.200 2.491 2.325 3.265 0.065 19 0 "[ . 1 . 2]" 3
1628 1 72 GLU H 1 72 GLU QG . . 4.180 4.096 3.997 4.186 0.006 19 0 "[ . 1 . 2]" 3
1629 1 72 GLU HA 1 72 GLU QG . . 3.530 2.615 2.275 2.941 . 0 0 "[ . 1 . 2]" 3
1630 1 72 GLU QB 1 73 LEU H . . 3.460 3.391 3.240 3.482 0.022 9 0 "[ . 1 . 2]" 3
1631 1 72 GLU QB 1 74 TYR QD . . 4.780 3.587 3.453 3.802 . 0 0 "[ . 1 . 2]" 3
1632 1 72 GLU QB 1 74 TYR QE . . 3.190 2.012 1.969 2.084 . 0 0 "[ . 1 . 2]" 3
1633 1 72 GLU QG 1 73 LEU H . . 3.360 2.045 1.914 2.262 . 0 0 "[ . 1 . 2]" 3
1634 1 74 TYR QD 1 82 ARG QD . . 4.070 2.833 2.528 3.017 . 0 0 "[ . 1 . 2]" 3
1635 1 76 GLU H 1 76 GLU QG . . 4.160 3.863 3.782 3.953 . 0 0 "[ . 1 . 2]" 3
1636 1 76 GLU HA 1 76 GLU QG . . 3.080 2.342 2.229 2.461 . 0 0 "[ . 1 . 2]" 3
1637 1 76 GLU QG 1 77 THR H . . 4.340 4.036 3.768 4.201 . 0 0 "[ . 1 . 2]" 3
1638 1 76 GLU QG 1 79 ALA MB . . 4.580 4.244 4.176 4.338 . 0 0 "[ . 1 . 2]" 3
1639 1 76 GLU QG 1 80 ARG QD . . 4.520 2.472 1.891 3.127 . 0 0 "[ . 1 . 2]" 3
1640 1 79 ALA HA 1 82 ARG QD . . 4.170 2.027 1.947 2.289 . 0 0 "[ . 1 . 2]" 3
1641 1 79 ALA MB 1 80 ARG QG . . 4.660 3.591 3.400 3.736 . 0 0 "[ . 1 . 2]" 3
1642 1 80 ARG H 1 80 ARG QG . . 3.290 2.674 2.546 2.830 . 0 0 "[ . 1 . 2]" 3
1643 1 80 ARG QG 1 81 ALA H . . 4.510 4.349 4.322 4.389 . 0 0 "[ . 1 . 2]" 3
1644 1 80 ARG QG 1 83 THR MG . . 4.410 3.586 3.370 3.877 . 0 0 "[ . 1 . 2]" 3
1645 1 82 ARG H 1 82 ARG QD . . 4.040 3.428 3.314 3.782 . 0 0 "[ . 1 . 2]" 3
1646 1 82 ARG HA 1 82 ARG QG . . 2.900 2.550 2.499 2.630 . 0 0 "[ . 1 . 2]" 3
1647 1 82 ARG HA 1 82 ARG QD . . 4.280 4.164 4.093 4.269 . 0 0 "[ . 1 . 2]" 3
1648 1 82 ARG HB3 1 82 ARG QD . . 3.710 2.780 2.324 3.022 . 0 0 "[ . 1 . 2]" 3
1649 1 82 ARG QG 1 83 THR H . . 5.340 3.884 3.479 4.166 . 0 0 "[ . 1 . 2]" 3
1650 1 82 ARG QD 1 82 ARG QH1 . . 3.680 2.103 1.877 2.168 . 0 0 "[ . 1 . 2]" 3
1651 1 83 THR MG 1 86 PRO QB . . 4.440 3.704 2.523 4.502 0.062 14 0 "[ . 1 . 2]" 3
1652 1 85 GLY QA 1 86 PRO QD . . 2.830 2.057 1.894 2.339 . 0 0 "[ . 1 . 2]" 3
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