NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
473565 |
2juw   |
15456 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2juw
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 1362
_Distance_constraint_stats_list.Viol_count 1008
_Distance_constraint_stats_list.Viol_total 120.880
_Distance_constraint_stats_list.Viol_max 0.030
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_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 5 SER 0.029 0.013 12 0 "[ . 1 . 2]"
1 6 LYS 0.105 0.026 8 0 "[ . 1 . 2]"
1 7 TYR 0.202 0.026 8 0 "[ . 1 . 2]"
1 8 SER 0.017 0.013 8 0 "[ . 1 . 2]"
1 9 ASN 0.004 0.002 7 0 "[ . 1 . 2]"
1 10 THR 0.023 0.010 7 0 "[ . 1 . 2]"
1 11 GLN 0.102 0.013 8 0 "[ . 1 . 2]"
1 12 VAL 0.115 0.014 9 0 "[ . 1 . 2]"
1 13 GLU 0.024 0.010 7 0 "[ . 1 . 2]"
1 14 SER 0.013 0.007 18 0 "[ . 1 . 2]"
1 15 LEU 0.169 0.012 16 0 "[ . 1 . 2]"
1 16 ILE 0.072 0.009 4 0 "[ . 1 . 2]"
1 17 ALA 0.008 0.008 7 0 "[ . 1 . 2]"
1 18 GLU 0.131 0.012 15 0 "[ . 1 . 2]"
1 19 ILE 0.407 0.023 3 0 "[ . 1 . 2]"
1 20 LEU 0.051 0.015 7 0 "[ . 1 . 2]"
1 21 VAL 0.025 0.006 20 0 "[ . 1 . 2]"
1 22 VAL 0.095 0.019 5 0 "[ . 1 . 2]"
1 23 LEU 0.391 0.022 20 0 "[ . 1 . 2]"
1 24 GLU 0.010 0.006 20 0 "[ . 1 . 2]"
1 25 LYS 0.041 0.009 16 0 "[ . 1 . 2]"
1 26 HIS 0.135 0.019 5 0 "[ . 1 . 2]"
1 27 LYS 0.048 0.013 5 0 "[ . 1 . 2]"
1 28 ALA 0.080 0.019 1 0 "[ . 1 . 2]"
1 29 PRO 0.004 0.004 3 0 "[ . 1 . 2]"
1 30 THR 0.037 0.008 7 0 "[ . 1 . 2]"
1 31 ASP 0.009 0.005 18 0 "[ . 1 . 2]"
1 32 LEU 0.049 0.010 12 0 "[ . 1 . 2]"
1 33 SER 0.005 0.004 17 0 "[ . 1 . 2]"
1 34 LEU 0.119 0.015 20 0 "[ . 1 . 2]"
1 35 MET 0.054 0.015 12 0 "[ . 1 . 2]"
1 36 ALA 0.017 0.011 3 0 "[ . 1 . 2]"
1 37 LEU 0.129 0.027 17 0 "[ . 1 . 2]"
1 38 GLY 0.045 0.010 13 0 "[ . 1 . 2]"
1 39 ASN 0.132 0.016 10 0 "[ . 1 . 2]"
1 40 CYS 0.137 0.024 10 0 "[ . 1 . 2]"
1 41 VAL 0.281 0.027 17 0 "[ . 1 . 2]"
1 42 THR 0.323 0.016 10 0 "[ . 1 . 2]"
1 43 HIS 0.284 0.024 10 0 "[ . 1 . 2]"
1 44 LEU 0.144 0.017 1 0 "[ . 1 . 2]"
1 45 LEU 0.125 0.010 14 0 "[ . 1 . 2]"
1 46 GLU 0.087 0.020 18 0 "[ . 1 . 2]"
1 47 ARG 0.104 0.019 13 0 "[ . 1 . 2]"
1 48 LYS 0.126 0.019 13 0 "[ . 1 . 2]"
1 49 VAL 0.015 0.004 1 0 "[ . 1 . 2]"
1 50 PRO 0.003 0.002 16 0 "[ . 1 . 2]"
1 51 SER 0.114 0.019 15 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.038 0.019 15 0 "[ . 1 . 2]"
1 54 ARG 0.223 0.020 18 0 "[ . 1 . 2]"
1 55 GLN 0.054 0.018 12 0 "[ . 1 . 2]"
1 56 ALA 0.057 0.012 19 0 "[ . 1 . 2]"
1 57 VAL 0.113 0.030 10 0 "[ . 1 . 2]"
1 58 ALA 0.044 0.030 10 0 "[ . 1 . 2]"
1 59 GLU 0.087 0.012 19 0 "[ . 1 . 2]"
1 60 GLN 0.084 0.023 10 0 "[ . 1 . 2]"
1 61 PHE 0.076 0.011 10 0 "[ . 1 . 2]"
1 62 ALA 0.078 0.014 5 0 "[ . 1 . 2]"
1 63 LYS 0.073 0.023 10 0 "[ . 1 . 2]"
1 64 ALA 0.053 0.010 7 0 "[ . 1 . 2]"
1 65 LEU 0.413 0.019 7 0 "[ . 1 . 2]"
1 66 ALA 0.015 0.008 7 0 "[ . 1 . 2]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 0.043 0.010 9 0 "[ . 1 . 2]"
1 69 VAL 0.078 0.028 6 0 "[ . 1 . 2]"
1 70 LYS 0.048 0.010 10 0 "[ . 1 . 2]"
1 71 SER 0.001 0.001 19 0 "[ . 1 . 2]"
1 72 ASN 0.023 0.007 14 0 "[ . 1 . 2]"
1 73 LEU 0.019 0.008 14 0 "[ . 1 . 2]"
1 74 GLU 0.001 0.001 19 0 "[ . 1 . 2]"
2 5 SER 0.026 0.016 7 0 "[ . 1 . 2]"
2 6 LYS 0.046 0.027 13 0 "[ . 1 . 2]"
2 7 TYR 0.168 0.027 13 0 "[ . 1 . 2]"
2 8 SER 0.004 0.004 9 0 "[ . 1 . 2]"
2 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 THR 0.004 0.003 3 0 "[ . 1 . 2]"
2 11 GLN 0.086 0.010 17 0 "[ . 1 . 2]"
2 12 VAL 0.112 0.015 12 0 "[ . 1 . 2]"
2 13 GLU 0.041 0.015 3 0 "[ . 1 . 2]"
2 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LEU 0.136 0.019 5 0 "[ . 1 . 2]"
2 16 ILE 0.084 0.015 3 0 "[ . 1 . 2]"
2 17 ALA 0.001 0.001 15 0 "[ . 1 . 2]"
2 18 GLU 0.139 0.019 5 0 "[ . 1 . 2]"
2 19 ILE 0.406 0.022 20 0 "[ . 1 . 2]"
2 20 LEU 0.049 0.019 10 0 "[ . 1 . 2]"
2 21 VAL 0.029 0.006 13 0 "[ . 1 . 2]"
2 22 VAL 0.103 0.012 15 0 "[ . 1 . 2]"
2 23 LEU 0.358 0.023 3 0 "[ . 1 . 2]"
2 24 GLU 0.011 0.007 20 0 "[ . 1 . 2]"
2 25 LYS 0.047 0.008 15 0 "[ . 1 . 2]"
2 26 HIS 0.220 0.028 15 0 "[ . 1 . 2]"
2 27 LYS 0.031 0.011 18 0 "[ . 1 . 2]"
2 28 ALA 0.082 0.028 15 0 "[ . 1 . 2]"
2 29 PRO 0.007 0.004 10 0 "[ . 1 . 2]"
2 30 THR 0.050 0.009 10 0 "[ . 1 . 2]"
2 31 ASP 0.027 0.011 11 0 "[ . 1 . 2]"
2 32 LEU 0.096 0.010 16 0 "[ . 1 . 2]"
2 33 SER 0.016 0.012 10 0 "[ . 1 . 2]"
2 34 LEU 0.138 0.016 17 0 "[ . 1 . 2]"
2 35 MET 0.050 0.011 11 0 "[ . 1 . 2]"
2 36 ALA 0.056 0.029 4 0 "[ . 1 . 2]"
2 37 LEU 0.121 0.016 17 0 "[ . 1 . 2]"
2 38 GLY 0.021 0.009 20 0 "[ . 1 . 2]"
2 39 ASN 0.115 0.029 4 0 "[ . 1 . 2]"
2 40 CYS 0.059 0.014 16 0 "[ . 1 . 2]"
2 41 VAL 0.220 0.016 17 0 "[ . 1 . 2]"
2 42 THR 0.259 0.019 7 0 "[ . 1 . 2]"
2 43 HIS 0.118 0.014 16 0 "[ . 1 . 2]"
2 44 LEU 0.065 0.015 7 0 "[ . 1 . 2]"
2 45 LEU 0.116 0.009 6 0 "[ . 1 . 2]"
2 46 GLU 0.071 0.017 10 0 "[ . 1 . 2]"
2 47 ARG 0.128 0.021 7 0 "[ . 1 . 2]"
2 48 LYS 0.118 0.021 7 0 "[ . 1 . 2]"
2 49 VAL 0.021 0.009 5 0 "[ . 1 . 2]"
2 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 SER 0.117 0.030 17 0 "[ . 1 . 2]"
2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 SER 0.006 0.003 12 0 "[ . 1 . 2]"
2 54 ARG 0.278 0.030 17 0 "[ . 1 . 2]"
2 55 GLN 0.043 0.028 6 0 "[ . 1 . 2]"
2 56 ALA 0.082 0.017 20 0 "[ . 1 . 2]"
2 57 VAL 0.146 0.029 3 0 "[ . 1 . 2]"
2 58 ALA 0.057 0.029 3 0 "[ . 1 . 2]"
2 59 GLU 0.065 0.017 20 0 "[ . 1 . 2]"
2 60 GLN 0.080 0.015 14 0 "[ . 1 . 2]"
2 61 PHE 0.084 0.015 3 0 "[ . 1 . 2]"
2 62 ALA 0.062 0.013 17 0 "[ . 1 . 2]"
2 63 LYS 0.046 0.015 14 0 "[ . 1 . 2]"
2 64 ALA 0.035 0.006 13 0 "[ . 1 . 2]"
2 65 LEU 0.487 0.016 16 0 "[ . 1 . 2]"
2 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLN 0.002 0.001 13 0 "[ . 1 . 2]"
2 68 SER 0.070 0.016 16 0 "[ . 1 . 2]"
2 69 VAL 0.077 0.018 12 0 "[ . 1 . 2]"
2 70 LYS 0.017 0.007 8 0 "[ . 1 . 2]"
2 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 ASN 0.011 0.005 20 0 "[ . 1 . 2]"
2 73 LEU 0.009 0.007 8 0 "[ . 1 . 2]"
2 74 GLU 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 7 TYR HB3 2 32 LEU MD1 1.800 . 5.000 3.443 2.643 4.420 . 0 0 "[ . 1 . 2]" 1
2 1 7 TYR HB2 2 32 LEU MD1 1.800 . 5.000 3.586 2.108 5.007 0.007 11 0 "[ . 1 . 2]" 1
3 1 7 TYR QD 2 32 LEU MD1 1.800 . 5.000 2.815 1.947 4.544 . 0 0 "[ . 1 . 2]" 1
4 1 7 TYR QD 2 32 LEU MD2 1.800 . 5.000 3.307 2.819 3.851 . 0 0 "[ . 1 . 2]" 1
5 1 7 TYR QD 2 35 MET ME 1.800 . 5.000 3.633 2.039 5.004 0.004 14 0 "[ . 1 . 2]" 1
6 1 7 TYR QE 2 29 PRO QG 1.800 . 5.000 4.050 2.315 5.004 0.004 10 0 "[ . 1 . 2]" 1
7 1 7 TYR QE 2 31 ASP QB 1.800 . 5.000 3.387 2.193 4.263 . 0 0 "[ . 1 . 2]" 1
8 1 7 TYR QE 2 32 LEU HA 1.800 . 5.000 3.900 2.487 4.916 . 0 0 "[ . 1 . 2]" 1
9 1 7 TYR QE 2 32 LEU QB 1.800 . 5.000 3.315 2.169 4.462 . 0 0 "[ . 1 . 2]" 1
10 1 7 TYR QE 2 32 LEU MD1 1.800 . 5.000 3.306 2.314 4.877 . 0 0 "[ . 1 . 2]" 1
11 1 7 TYR QE 2 32 LEU MD2 1.800 . 5.000 3.716 2.051 5.004 0.004 1 0 "[ . 1 . 2]" 1
12 1 7 TYR QE 2 32 LEU H 1.800 . 5.000 4.354 3.608 5.004 0.004 11 0 "[ . 1 . 2]" 1
13 1 7 TYR QE 2 35 MET ME 1.800 . 5.000 3.143 2.119 4.707 . 0 0 "[ . 1 . 2]" 1
14 1 11 GLN QB 2 32 LEU MD1 1.800 . 5.000 4.225 3.554 4.686 . 0 0 "[ . 1 . 2]" 1
15 1 11 GLN QB 2 32 LEU MD2 1.800 . 5.000 4.334 3.673 4.955 . 0 0 "[ . 1 . 2]" 1
16 1 11 GLN QE 2 32 LEU MD2 1.800 . 5.000 3.337 1.866 5.006 0.006 1 0 "[ . 1 . 2]" 1
17 1 11 GLN QG 2 32 LEU MD1 1.800 . 5.000 3.506 2.777 4.171 . 0 0 "[ . 1 . 2]" 1
18 1 11 GLN QG 2 32 LEU MD2 1.800 . 5.000 2.986 2.489 4.876 . 0 0 "[ . 1 . 2]" 1
19 1 11 GLN QG 2 32 LEU HG 1.800 . 5.000 4.928 4.698 5.010 0.010 16 0 "[ . 1 . 2]" 1
20 1 12 VAL HA 2 32 LEU MD1 1.800 . 5.000 2.854 2.259 3.696 . 0 0 "[ . 1 . 2]" 1
21 1 12 VAL MG1 2 35 MET ME 1.800 . 5.000 3.940 2.257 5.005 0.005 14 0 "[ . 1 . 2]" 1
22 1 12 VAL MG1 2 35 MET QG 1.800 . 5.000 3.004 2.065 4.509 . 0 0 "[ . 1 . 2]" 1
23 1 12 VAL MG1 2 36 ALA HA 1.800 . 5.000 3.111 2.550 3.685 . 0 0 "[ . 1 . 2]" 1
24 1 12 VAL MG1 2 36 ALA H 1.800 . 5.000 4.031 3.375 4.673 . 0 0 "[ . 1 . 2]" 1
25 1 12 VAL MG2 2 35 MET ME 1.800 . 5.000 3.707 2.089 5.002 0.002 4 0 "[ . 1 . 2]" 1
26 1 12 VAL H 2 32 LEU MD1 1.800 . 5.000 4.201 3.808 4.781 . 0 0 "[ . 1 . 2]" 1
27 1 15 LEU HA 2 22 VAL MG1 1.800 . 5.000 4.141 3.406 4.688 . 0 0 "[ . 1 . 2]" 1
28 1 15 LEU MD1 2 26 HIS QB 1.800 . 5.000 2.945 2.011 4.447 . 0 0 "[ . 1 . 2]" 1
29 1 15 LEU MD1 2 26 HIS HD2 1.800 . 5.000 3.743 2.206 5.002 0.002 16 0 "[ . 1 . 2]" 1
30 1 15 LEU MD1 2 26 HIS HE1 1.800 . 5.000 4.011 2.806 4.991 . 0 0 "[ . 1 . 2]" 1
31 1 15 LEU MD1 2 28 ALA MB 1.800 . 5.000 3.630 2.912 4.290 . 0 0 "[ . 1 . 2]" 1
32 1 15 LEU MD2 2 26 HIS QB 1.800 . 5.000 3.367 2.421 5.010 0.010 18 0 "[ . 1 . 2]" 1
33 1 15 LEU MD2 2 26 HIS HD2 1.800 . 5.000 4.853 4.078 5.012 0.012 16 0 "[ . 1 . 2]" 1
34 1 15 LEU MD2 2 28 ALA MB 1.800 . 5.000 2.387 1.938 3.491 . 0 0 "[ . 1 . 2]" 1
35 1 15 LEU MD2 2 33 SER HA 1.800 . 5.000 3.811 2.928 4.408 . 0 0 "[ . 1 . 2]" 1
36 1 15 LEU MD2 2 36 ALA MB 1.800 . 5.000 2.553 1.854 3.156 . 0 0 "[ . 1 . 2]" 1
37 1 15 LEU MD2 2 36 ALA H 1.800 . 5.000 4.517 3.731 5.007 0.007 13 0 "[ . 1 . 2]" 1
38 1 15 LEU HG 2 28 ALA MB 1.800 . 5.000 4.266 3.559 5.003 0.003 12 0 "[ . 1 . 2]" 1
39 1 16 ILE HA 2 36 ALA HA 1.800 . 5.000 4.523 3.789 5.005 0.005 4 0 "[ . 1 . 2]" 1
40 1 16 ILE HA 2 36 ALA MB 1.800 . 5.000 3.220 2.754 3.809 . 0 0 "[ . 1 . 2]" 1
41 1 16 ILE MD 2 36 ALA HA 1.800 . 5.000 2.711 1.944 3.409 . 0 0 "[ . 1 . 2]" 1
42 1 16 ILE MD 2 36 ALA MB 1.800 . 5.000 3.604 2.340 4.345 . 0 0 "[ . 1 . 2]" 1
43 1 16 ILE MD 2 39 ASN QD 1.800 . 5.000 3.040 2.042 4.332 . 0 0 "[ . 1 . 2]" 1
44 1 16 ILE MD 2 39 ASN H 1.800 . 5.000 4.077 3.441 5.001 0.001 4 0 "[ . 1 . 2]" 1
45 1 16 ILE HG13 2 36 ALA HA 1.800 . 5.000 3.171 2.793 4.391 . 0 0 "[ . 1 . 2]" 1
46 1 16 ILE HG12 2 36 ALA HA 1.800 . 5.000 2.533 1.800 4.129 0.000 11 0 "[ . 1 . 2]" 1
47 1 16 ILE QG 2 36 ALA MB 1.800 . 5.000 2.613 2.077 3.977 . 0 0 "[ . 1 . 2]" 1
48 1 16 ILE QG 2 39 ASN H 1.800 . 5.000 4.667 4.150 5.009 0.009 4 0 "[ . 1 . 2]" 1
49 1 16 ILE MG 2 39 ASN HB3 1.800 . 5.000 3.594 2.481 5.003 0.003 4 0 "[ . 1 . 2]" 1
50 1 16 ILE MG 2 39 ASN HB2 1.800 . 5.000 3.679 2.738 4.528 . 0 0 "[ . 1 . 2]" 1
51 1 16 ILE MG 2 40 CYS HA 1.800 . 5.000 2.866 2.362 3.651 . 0 0 "[ . 1 . 2]" 1
52 1 16 ILE MG 2 43 HIS QB 1.800 . 5.000 3.622 2.962 4.325 . 0 0 "[ . 1 . 2]" 1
53 1 16 ILE MG 2 43 HIS HD2 1.800 . 5.000 4.584 3.641 5.006 0.006 4 0 "[ . 1 . 2]" 1
54 1 18 GLU QB 2 22 VAL MG1 1.800 . 5.000 2.398 1.795 3.227 0.005 10 0 "[ . 1 . 2]" 1
55 1 18 GLU QB 2 22 VAL MG2 1.800 . 5.000 3.825 2.485 4.999 . 0 0 "[ . 1 . 2]" 1
56 1 18 GLU QG 2 22 VAL MG1 1.800 . 5.000 2.884 1.947 3.716 . 0 0 "[ . 1 . 2]" 1
57 1 18 GLU QG 2 22 VAL MG2 1.800 . 5.000 3.993 2.540 5.007 0.007 4 0 "[ . 1 . 2]" 1
58 1 18 GLU H 2 22 VAL MG1 1.800 . 5.000 4.574 3.872 5.012 0.012 15 0 "[ . 1 . 2]" 1
59 1 19 ILE HB 2 40 CYS QB 1.800 . 5.000 4.154 3.433 5.003 0.003 4 0 "[ . 1 . 2]" 1
60 1 19 ILE MD 2 22 VAL HB 1.800 . 5.000 4.120 2.123 5.009 0.009 4 0 "[ . 1 . 2]" 1
61 1 19 ILE MD 2 23 LEU MD1 1.800 . 5.000 3.584 2.938 4.710 . 0 0 "[ . 1 . 2]" 1
62 1 19 ILE MD 2 23 LEU MD2 1.800 . 5.000 2.243 1.798 3.504 0.002 13 0 "[ . 1 . 2]" 1
63 1 19 ILE MD 2 36 ALA MB 1.800 . 5.000 2.603 2.077 3.468 . 0 0 "[ . 1 . 2]" 1
64 1 19 ILE MD 2 37 LEU MD2 1.800 . 5.000 2.663 2.125 3.083 . 0 0 "[ . 1 . 2]" 1
65 1 19 ILE MD 2 37 LEU H 1.800 . 5.000 4.425 3.870 5.012 0.012 2 0 "[ . 1 . 2]" 1
66 1 19 ILE MG 2 22 VAL HB 1.800 . 5.000 3.611 2.136 4.357 . 0 0 "[ . 1 . 2]" 1
67 1 19 ILE MG 2 23 LEU MD1 1.800 . 5.000 4.046 3.057 4.753 . 0 0 "[ . 1 . 2]" 1
68 1 19 ILE MG 2 23 LEU MD2 1.800 . 5.000 3.515 2.224 4.125 . 0 0 "[ . 1 . 2]" 1
69 1 19 ILE MG 2 23 LEU HG 1.800 . 5.000 3.912 2.559 4.518 . 0 0 "[ . 1 . 2]" 1
70 1 19 ILE MG 2 23 LEU H 1.800 . 5.000 4.775 3.586 5.023 0.023 3 0 "[ . 1 . 2]" 1
71 1 20 LEU MD1 2 43 HIS QB 1.800 . 5.000 3.565 2.606 4.830 . 0 0 "[ . 1 . 2]" 1
72 1 20 LEU MD1 2 43 HIS HD2 1.800 . 5.000 2.637 1.820 3.834 . 0 0 "[ . 1 . 2]" 1
73 1 20 LEU MD1 2 43 HIS HE1 1.800 . 5.000 4.655 4.011 5.011 0.011 5 0 "[ . 1 . 2]" 1
74 1 20 LEU MD2 2 40 CYS HA 1.800 . 5.000 3.240 2.314 4.574 . 0 0 "[ . 1 . 2]" 1
75 1 20 LEU MD2 2 40 CYS QB 1.800 . 5.000 3.524 2.023 4.947 . 0 0 "[ . 1 . 2]" 1
76 1 20 LEU MD2 2 43 HIS QB 1.800 . 5.000 3.451 2.664 4.744 . 0 0 "[ . 1 . 2]" 1
77 1 20 LEU MD2 2 43 HIS HD2 1.800 . 5.000 3.072 2.314 4.345 . 0 0 "[ . 1 . 2]" 1
78 1 20 LEU MD2 2 44 LEU MD1 1.800 . 5.000 3.729 2.310 5.015 0.015 7 0 "[ . 1 . 2]" 1
79 1 20 LEU MD2 2 44 LEU HG 1.800 . 5.000 3.546 2.510 4.694 . 0 0 "[ . 1 . 2]" 1
80 1 30 THR HA 2 44 LEU MD1 1.800 . 5.000 4.374 3.514 5.002 0.002 8 0 "[ . 1 . 2]" 1
81 1 30 THR HA 2 44 LEU MD2 1.800 . 5.000 4.403 2.799 5.004 0.004 8 0 "[ . 1 . 2]" 1
82 1 30 THR MG 2 44 LEU MD2 1.800 . 5.000 4.104 2.472 5.008 0.008 7 0 "[ . 1 . 2]" 1
83 1 30 THR MG 2 48 LYS HA 1.800 . 5.000 4.785 4.232 5.006 0.006 12 0 "[ . 1 . 2]" 1
84 1 30 THR MG 2 48 LYS QB 1.800 . 5.000 2.405 1.937 2.992 . 0 0 "[ . 1 . 2]" 1
85 1 30 THR MG 2 48 LYS QG 1.800 . 5.000 3.103 2.230 4.280 . 0 0 "[ . 1 . 2]" 1
86 1 33 SER HA 2 44 LEU MD1 1.800 . 5.000 4.165 3.592 4.615 . 0 0 "[ . 1 . 2]" 1
87 1 33 SER QB 2 44 LEU MD1 1.800 . 5.000 2.345 1.799 3.170 0.001 18 0 "[ . 1 . 2]" 1
88 1 33 SER QB 2 44 LEU MD2 1.800 . 5.000 3.236 2.711 4.239 . 0 0 "[ . 1 . 2]" 1
89 1 34 LEU HA 2 41 VAL HA 1.800 . 5.000 4.913 4.511 5.014 0.014 12 0 "[ . 1 . 2]" 1
90 1 34 LEU MD1 2 61 PHE QD 1.800 . 5.000 4.223 3.537 4.811 . 0 0 "[ . 1 . 2]" 1
91 1 34 LEU MD2 2 41 VAL HA 1.800 . 5.000 3.619 3.000 4.099 . 0 0 "[ . 1 . 2]" 1
92 1 34 LEU MD2 2 41 VAL MG1 1.800 . 5.000 2.747 2.161 3.359 . 0 0 "[ . 1 . 2]" 1
93 1 34 LEU MD2 2 41 VAL MG2 1.800 . 5.000 3.996 3.422 4.644 . 0 0 "[ . 1 . 2]" 1
94 1 34 LEU MD2 2 57 VAL MG1 1.800 . 5.000 3.429 3.046 5.003 0.003 9 0 "[ . 1 . 2]" 1
95 1 34 LEU MD2 2 57 VAL MG2 1.800 . 5.000 4.886 3.790 5.015 0.015 20 0 "[ . 1 . 2]" 1
96 1 34 LEU MD2 2 61 PHE QD 1.800 . 5.000 3.845 2.979 4.561 . 0 0 "[ . 1 . 2]" 1
97 1 34 LEU MD2 2 61 PHE QE 1.800 . 5.000 4.051 3.330 4.731 . 0 0 "[ . 1 . 2]" 1
98 1 37 LEU MD1 2 40 CYS QB 1.800 . 5.000 2.449 2.001 3.005 . 0 0 "[ . 1 . 2]" 1
99 1 37 LEU MD1 2 41 VAL HA 1.800 . 5.000 3.729 2.233 4.461 . 0 0 "[ . 1 . 2]" 1
100 1 37 LEU MD1 2 41 VAL HB 1.800 . 5.000 4.673 3.966 5.016 0.016 17 0 "[ . 1 . 2]" 1
101 1 37 LEU MD1 2 41 VAL MG2 1.800 . 5.000 2.333 1.948 2.676 . 0 0 "[ . 1 . 2]" 1
102 1 37 LEU MD2 2 40 CYS QB 1.800 . 5.000 3.982 2.481 4.507 . 0 0 "[ . 1 . 2]" 1
103 1 38 GLY HA3 2 61 PHE HZ 1.800 . 5.000 3.140 1.908 3.808 . 0 0 "[ . 1 . 2]" 1
104 1 38 GLY HA2 2 61 PHE HZ 1.800 . 5.000 2.037 1.796 2.374 0.004 12 0 "[ . 1 . 2]" 1
105 1 38 GLY QA 2 41 VAL MG2 1.800 . 5.000 3.855 3.222 4.498 . 0 0 "[ . 1 . 2]" 1
106 1 38 GLY QA 2 61 PHE QE 1.800 . 5.000 2.304 1.800 2.706 . 0 0 "[ . 1 . 2]" 1
107 1 38 GLY QA 2 65 LEU QB 1.800 . 5.000 4.806 4.243 5.008 0.008 13 0 "[ . 1 . 2]" 1
108 1 38 GLY QA 2 65 LEU MD1 1.800 . 5.000 2.846 2.021 3.741 . 0 0 "[ . 1 . 2]" 1
109 1 38 GLY QA 2 65 LEU MD2 1.800 . 5.000 3.971 2.326 4.893 . 0 0 "[ . 1 . 2]" 1
110 1 38 GLY H 2 61 PHE QE 1.800 . 5.000 3.017 2.522 3.884 . 0 0 "[ . 1 . 2]" 1
111 1 38 GLY H 2 61 PHE HZ 1.800 . 5.000 3.738 2.994 4.846 . 0 0 "[ . 1 . 2]" 1
112 1 41 VAL HB 2 65 LEU MD1 1.800 . 5.000 2.655 1.833 3.581 . 0 0 "[ . 1 . 2]" 1
113 1 41 VAL HB 2 65 LEU MD2 1.800 . 5.000 3.350 2.168 3.921 . 0 0 "[ . 1 . 2]" 1
114 1 41 VAL MG1 2 61 PHE QE 1.800 . 5.000 3.906 3.274 4.602 . 0 0 "[ . 1 . 2]" 1
115 1 41 VAL MG1 2 61 PHE HZ 1.800 . 5.000 4.314 3.589 4.985 . 0 0 "[ . 1 . 2]" 1
116 1 41 VAL MG1 2 65 LEU MD1 1.800 . 5.000 2.858 2.333 3.982 . 0 0 "[ . 1 . 2]" 1
117 1 41 VAL MG1 2 65 LEU MD2 1.800 . 5.000 2.533 1.833 4.010 . 0 0 "[ . 1 . 2]" 1
118 1 41 VAL MG2 2 61 PHE QE 1.800 . 5.000 3.554 3.052 4.152 . 0 0 "[ . 1 . 2]" 1
119 1 41 VAL MG2 2 61 PHE HZ 1.800 . 5.000 3.073 2.337 3.876 . 0 0 "[ . 1 . 2]" 1
120 1 42 THR HA 2 65 LEU MD1 1.800 . 5.000 3.899 3.125 5.006 0.006 5 0 "[ . 1 . 2]" 1
121 1 42 THR HA 2 65 LEU MD2 1.800 . 5.000 4.549 3.905 5.001 0.001 20 0 "[ . 1 . 2]" 1
122 1 42 THR HB 2 65 LEU MD1 1.800 . 5.000 4.353 3.936 5.011 0.011 2 0 "[ . 1 . 2]" 1
123 1 42 THR MG 2 65 LEU HA 1.800 . 5.000 3.588 2.445 4.226 . 0 0 "[ . 1 . 2]" 1
124 1 42 THR MG 2 65 LEU QB 1.800 . 5.000 4.403 2.566 5.013 0.013 9 0 "[ . 1 . 2]" 1
125 1 42 THR MG 2 65 LEU MD1 1.800 . 5.000 3.374 2.044 4.544 . 0 0 "[ . 1 . 2]" 1
126 1 42 THR MG 2 65 LEU HG 1.800 . 5.000 3.766 2.463 5.016 0.016 2 0 "[ . 1 . 2]" 1
127 1 42 THR MG 2 68 SER H 1.800 . 5.000 4.542 3.978 5.009 0.009 7 0 "[ . 1 . 2]" 1
128 1 42 THR MG 2 69 VAL HA 1.800 . 5.000 3.668 2.878 4.580 . 0 0 "[ . 1 . 2]" 1
129 1 42 THR H 2 65 LEU MD1 1.800 . 5.000 3.382 2.823 4.445 . 0 0 "[ . 1 . 2]" 1
130 1 42 THR H 2 65 LEU MD2 1.800 . 5.000 4.510 3.507 5.005 0.005 15 0 "[ . 1 . 2]" 1
131 1 45 LEU QB 2 69 VAL MG2 1.800 . 5.000 3.409 2.762 4.848 . 0 0 "[ . 1 . 2]" 1
132 1 51 SER QB 2 73 LEU MD2 1.800 . 5.000 3.127 1.798 4.556 0.002 5 0 "[ . 1 . 2]" 1
133 1 54 ARG HA 2 69 VAL MG1 1.800 . 5.000 4.162 3.679 4.750 . 0 0 "[ . 1 . 2]" 1
134 1 54 ARG QB 2 69 VAL MG1 1.800 . 5.000 2.522 1.946 3.282 . 0 0 "[ . 1 . 2]" 1
135 1 54 ARG QB 2 69 VAL MG2 1.800 . 5.000 3.824 2.990 4.867 . 0 0 "[ . 1 . 2]" 1
136 1 54 ARG HD3 2 69 VAL MG1 1.800 . 5.000 3.180 2.376 4.418 . 0 0 "[ . 1 . 2]" 1
137 1 54 ARG HD2 2 69 VAL MG1 1.800 . 5.000 3.191 2.204 4.508 . 0 0 "[ . 1 . 2]" 1
138 1 54 ARG QD 2 69 VAL MG2 1.800 . 5.000 3.839 2.882 4.673 . 0 0 "[ . 1 . 2]" 1
139 1 54 ARG QG 2 69 VAL MG1 1.800 . 5.000 3.135 1.799 4.641 0.001 14 0 "[ . 1 . 2]" 1
140 1 54 ARG QG 2 69 VAL MG2 1.800 . 5.000 4.016 2.633 5.002 0.002 4 0 "[ . 1 . 2]" 1
141 1 55 GLN HA 2 69 VAL MG1 1.800 . 5.000 2.626 1.799 3.674 0.001 15 0 "[ . 1 . 2]" 1
142 1 55 GLN QB 2 69 VAL MG1 1.800 . 5.000 3.679 2.371 4.790 . 0 0 "[ . 1 . 2]" 1
143 1 55 GLN QG 2 69 VAL MG1 1.800 . 5.000 2.826 2.073 3.350 . 0 0 "[ . 1 . 2]" 1
144 1 55 GLN QG 2 69 VAL MG2 1.800 . 5.000 4.681 3.796 5.018 0.018 12 0 "[ . 1 . 2]" 1
145 1 55 GLN QG 2 70 LYS QG 1.800 . 5.000 3.771 1.798 4.990 0.002 12 0 "[ . 1 . 2]" 1
146 1 55 GLN H 2 69 VAL MG1 1.800 . 5.000 3.546 2.811 4.340 . 0 0 "[ . 1 . 2]" 1
147 1 58 ALA MB 2 65 LEU MD2 1.800 . 5.000 3.667 2.475 5.013 0.013 13 0 "[ . 1 . 2]" 1
148 1 58 ALA MB 2 66 ALA HA 1.800 . 5.000 2.955 2.031 3.834 . 0 0 "[ . 1 . 2]" 1
149 1 58 ALA MB 2 69 VAL HB 1.800 . 5.000 3.546 2.561 4.206 . 0 0 "[ . 1 . 2]" 1
150 1 58 ALA MB 2 69 VAL MG1 1.800 . 5.000 3.086 2.126 3.785 . 0 0 "[ . 1 . 2]" 1
151 1 58 ALA MB 2 69 VAL MG2 1.800 . 5.000 2.407 1.810 3.198 . 0 0 "[ . 1 . 2]" 1
152 1 61 PHE QE 2 65 LEU MD1 1.800 . 5.000 3.898 2.889 4.384 . 0 0 "[ . 1 . 2]" 1
153 1 62 ALA MB 2 65 LEU MD2 1.800 . 5.000 3.826 2.304 5.005 0.005 17 0 "[ . 1 . 2]" 1
154 1 62 ALA MB 2 66 ALA MB 1.800 . 5.000 3.884 2.607 4.684 . 0 0 "[ . 1 . 2]" 1
155 1 32 LEU MD1 2 7 TYR HB3 1.800 . 5.000 3.303 2.762 4.026 . 0 0 "[ . 1 . 2]" 1
156 1 32 LEU MD1 2 7 TYR HB2 1.800 . 5.000 3.801 2.933 5.004 0.004 3 0 "[ . 1 . 2]" 1
157 1 32 LEU MD1 2 7 TYR QD 1.800 . 5.000 2.740 1.801 3.401 . 0 0 "[ . 1 . 2]" 1
158 1 32 LEU MD2 2 7 TYR QD 1.800 . 5.000 3.063 2.251 3.772 . 0 0 "[ . 1 . 2]" 1
159 1 35 MET ME 2 7 TYR QD 1.800 . 5.000 3.387 2.212 4.706 . 0 0 "[ . 1 . 2]" 1
160 1 29 PRO QG 2 7 TYR QE 1.800 . 5.000 3.194 2.175 5.004 0.004 3 0 "[ . 1 . 2]" 1
161 1 31 ASP QB 2 7 TYR QE 1.800 . 5.000 3.420 2.437 4.428 . 0 0 "[ . 1 . 2]" 1
162 1 32 LEU HA 2 7 TYR QE 1.800 . 5.000 3.817 2.131 4.675 . 0 0 "[ . 1 . 2]" 1
163 1 32 LEU QB 2 7 TYR QE 1.800 . 5.000 2.805 1.805 4.122 . 0 0 "[ . 1 . 2]" 1
164 1 32 LEU MD1 2 7 TYR QE 1.800 . 5.000 3.232 2.535 3.828 . 0 0 "[ . 1 . 2]" 1
165 1 32 LEU MD2 2 7 TYR QE 1.800 . 5.000 3.243 2.134 5.003 0.003 20 0 "[ . 1 . 2]" 1
166 1 32 LEU H 2 7 TYR QE 1.800 . 5.000 4.012 3.270 4.782 . 0 0 "[ . 1 . 2]" 1
167 1 35 MET ME 2 7 TYR QE 1.800 . 5.000 3.230 1.959 5.003 0.003 8 0 "[ . 1 . 2]" 1
168 1 32 LEU MD1 2 11 GLN QB 1.800 . 5.000 4.199 3.506 4.708 . 0 0 "[ . 1 . 2]" 1
169 1 32 LEU MD2 2 11 GLN QB 1.800 . 5.000 4.136 3.233 4.731 . 0 0 "[ . 1 . 2]" 1
170 1 32 LEU MD2 2 11 GLN QE 1.800 . 5.000 3.626 2.025 4.973 . 0 0 "[ . 1 . 2]" 1
171 1 32 LEU MD1 2 11 GLN QG 1.800 . 5.000 3.479 2.588 4.159 . 0 0 "[ . 1 . 2]" 1
172 1 32 LEU MD2 2 11 GLN QG 1.800 . 5.000 2.711 1.798 3.170 0.002 3 0 "[ . 1 . 2]" 1
173 1 32 LEU HG 2 11 GLN QG 1.800 . 5.000 4.791 3.848 5.010 0.010 12 0 "[ . 1 . 2]" 1
174 1 32 LEU MD1 2 12 VAL HA 1.800 . 5.000 2.797 1.931 3.344 . 0 0 "[ . 1 . 2]" 1
175 1 35 MET ME 2 12 VAL MG1 1.800 . 5.000 4.061 2.218 5.015 0.015 12 0 "[ . 1 . 2]" 1
176 1 35 MET QG 2 12 VAL MG1 1.800 . 5.000 3.257 2.097 4.988 . 0 0 "[ . 1 . 2]" 1
177 1 36 ALA HA 2 12 VAL MG1 1.800 . 5.000 3.242 2.731 4.064 . 0 0 "[ . 1 . 2]" 1
178 1 36 ALA H 2 12 VAL MG1 1.800 . 5.000 4.101 3.578 4.674 . 0 0 "[ . 1 . 2]" 1
179 1 35 MET ME 2 12 VAL MG2 1.800 . 5.000 3.877 2.231 4.819 . 0 0 "[ . 1 . 2]" 1
180 1 32 LEU MD1 2 12 VAL H 1.800 . 5.000 4.132 3.550 4.504 . 0 0 "[ . 1 . 2]" 1
181 1 22 VAL MG1 2 15 LEU HA 1.800 . 5.000 4.037 2.985 4.749 . 0 0 "[ . 1 . 2]" 1
182 1 26 HIS QB 2 15 LEU MD1 1.800 . 5.000 2.739 2.157 4.519 . 0 0 "[ . 1 . 2]" 1
183 1 26 HIS HD2 2 15 LEU MD1 1.800 . 5.000 3.466 2.670 5.007 0.007 3 0 "[ . 1 . 2]" 1
184 1 26 HIS HE1 2 15 LEU MD1 1.800 . 5.000 4.179 3.297 4.863 . 0 0 "[ . 1 . 2]" 1
185 1 28 ALA MB 2 15 LEU MD1 1.800 . 5.000 3.283 2.192 4.093 . 0 0 "[ . 1 . 2]" 1
186 1 26 HIS QB 2 15 LEU MD2 1.800 . 5.000 3.388 2.212 5.019 0.019 5 0 "[ . 1 . 2]" 1
187 1 26 HIS HD2 2 15 LEU MD2 1.800 . 5.000 4.747 3.068 5.009 0.009 12 0 "[ . 1 . 2]" 1
188 1 28 ALA MB 2 15 LEU MD2 1.800 . 5.000 2.383 1.827 3.509 . 0 0 "[ . 1 . 2]" 1
189 1 33 SER HA 2 15 LEU MD2 1.800 . 5.000 3.601 3.088 4.268 . 0 0 "[ . 1 . 2]" 1
190 1 36 ALA MB 2 15 LEU MD2 1.800 . 5.000 2.355 1.895 2.904 . 0 0 "[ . 1 . 2]" 1
191 1 36 ALA H 2 15 LEU MD2 1.800 . 5.000 4.356 3.818 5.011 0.011 3 0 "[ . 1 . 2]" 1
192 1 28 ALA MB 2 15 LEU HG 1.800 . 5.000 4.229 3.288 4.929 . 0 0 "[ . 1 . 2]" 1
193 1 36 ALA HA 2 16 ILE HA 1.800 . 5.000 4.514 3.783 5.000 0.000 17 0 "[ . 1 . 2]" 1
194 1 36 ALA MB 2 16 ILE HA 1.800 . 5.000 3.324 2.930 4.084 . 0 0 "[ . 1 . 2]" 1
195 1 36 ALA HA 2 16 ILE MD 1.800 . 5.000 2.920 1.963 3.946 . 0 0 "[ . 1 . 2]" 1
196 1 36 ALA MB 2 16 ILE MD 1.800 . 5.000 3.767 2.454 4.724 . 0 0 "[ . 1 . 2]" 1
197 1 39 ASN QD 2 16 ILE MD 1.800 . 5.000 3.192 2.124 4.168 . 0 0 "[ . 1 . 2]" 1
198 1 39 ASN H 2 16 ILE MD 1.800 . 5.000 4.243 3.368 4.757 . 0 0 "[ . 1 . 2]" 1
199 1 36 ALA HA 2 16 ILE HG13 1.800 . 5.000 3.276 2.841 4.389 . 0 0 "[ . 1 . 2]" 1
200 1 36 ALA HA 2 16 ILE HG12 1.800 . 5.000 2.649 1.990 3.939 . 0 0 "[ . 1 . 2]" 1
201 1 36 ALA MB 2 16 ILE QG 1.800 . 5.000 2.777 2.218 3.954 . 0 0 "[ . 1 . 2]" 1
202 1 39 ASN H 2 16 ILE QG 1.800 . 5.000 4.652 4.328 5.005 0.005 14 0 "[ . 1 . 2]" 1
203 1 39 ASN HB3 2 16 ILE MG 1.800 . 5.000 3.394 2.801 4.056 . 0 0 "[ . 1 . 2]" 1
204 1 39 ASN HB2 2 16 ILE MG 1.800 . 5.000 3.704 3.248 4.295 . 0 0 "[ . 1 . 2]" 1
205 1 40 CYS HA 2 16 ILE MG 1.800 . 5.000 2.918 2.324 3.468 . 0 0 "[ . 1 . 2]" 1
206 1 43 HIS QB 2 16 ILE MG 1.800 . 5.000 3.602 3.168 4.204 . 0 0 "[ . 1 . 2]" 1
207 1 43 HIS HD2 2 16 ILE MG 1.800 . 5.000 4.670 3.411 5.009 0.009 10 0 "[ . 1 . 2]" 1
208 1 22 VAL MG1 2 18 GLU QB 1.800 . 5.000 2.272 1.795 3.364 0.005 8 0 "[ . 1 . 2]" 1
209 1 22 VAL MG2 2 18 GLU QB 1.800 . 5.000 3.670 2.719 4.947 . 0 0 "[ . 1 . 2]" 1
210 1 22 VAL MG1 2 18 GLU QG 1.800 . 5.000 3.047 1.891 3.927 . 0 0 "[ . 1 . 2]" 1
211 1 22 VAL MG2 2 18 GLU QG 1.800 . 5.000 4.205 2.288 5.008 0.008 12 0 "[ . 1 . 2]" 1
212 1 22 VAL MG1 2 18 GLU H 1.800 . 5.000 4.486 3.821 5.019 0.019 5 0 "[ . 1 . 2]" 1
213 1 40 CYS QB 2 19 ILE HB 1.800 . 5.000 3.900 3.130 5.004 0.004 16 0 "[ . 1 . 2]" 1
214 1 22 VAL HB 2 19 ILE MD 1.800 . 5.000 4.294 2.415 5.003 0.003 8 0 "[ . 1 . 2]" 1
215 1 23 LEU MD1 2 19 ILE MD 1.800 . 5.000 3.652 3.272 4.561 . 0 0 "[ . 1 . 2]" 1
216 1 23 LEU MD2 2 19 ILE MD 1.800 . 5.000 2.258 1.920 3.175 . 0 0 "[ . 1 . 2]" 1
217 1 36 ALA MB 2 19 ILE MD 1.800 . 5.000 2.444 1.983 3.343 . 0 0 "[ . 1 . 2]" 1
218 1 37 LEU MD2 2 19 ILE MD 1.800 . 5.000 2.828 1.967 4.723 . 0 0 "[ . 1 . 2]" 1
219 1 37 LEU H 2 19 ILE MD 1.800 . 5.000 4.260 3.540 5.012 0.012 20 0 "[ . 1 . 2]" 1
220 1 22 VAL HB 2 19 ILE MG 1.800 . 5.000 3.746 2.171 4.163 . 0 0 "[ . 1 . 2]" 1
221 1 23 LEU MD1 2 19 ILE MG 1.800 . 5.000 4.257 3.618 4.688 . 0 0 "[ . 1 . 2]" 1
222 1 23 LEU MD2 2 19 ILE MG 1.800 . 5.000 3.799 2.723 4.167 . 0 0 "[ . 1 . 2]" 1
223 1 23 LEU HG 2 19 ILE MG 1.800 . 5.000 4.155 3.348 4.470 . 0 0 "[ . 1 . 2]" 1
224 1 23 LEU H 2 19 ILE MG 1.800 . 5.000 4.958 3.864 5.022 0.022 20 0 "[ . 1 . 2]" 1
225 1 43 HIS QB 2 20 LEU MD1 1.800 . 5.000 3.654 2.773 5.001 0.001 17 0 "[ . 1 . 2]" 1
226 1 43 HIS HD2 2 20 LEU MD1 1.800 . 5.000 2.858 2.045 4.639 . 0 0 "[ . 1 . 2]" 1
227 1 43 HIS HE1 2 20 LEU MD1 1.800 . 5.000 4.290 2.354 5.003 0.003 8 0 "[ . 1 . 2]" 1
228 1 40 CYS HA 2 20 LEU MD2 1.800 . 5.000 3.107 2.470 3.948 . 0 0 "[ . 1 . 2]" 1
229 1 40 CYS QB 2 20 LEU MD2 1.800 . 5.000 3.190 2.136 4.434 . 0 0 "[ . 1 . 2]" 1
230 1 43 HIS QB 2 20 LEU MD2 1.800 . 5.000 3.396 2.617 5.019 0.019 10 0 "[ . 1 . 2]" 1
231 1 43 HIS HD2 2 20 LEU MD2 1.800 . 5.000 3.150 2.065 4.315 . 0 0 "[ . 1 . 2]" 1
232 1 44 LEU MD1 2 20 LEU MD2 1.800 . 5.000 3.850 2.650 5.014 0.014 16 0 "[ . 1 . 2]" 1
233 1 44 LEU HG 2 20 LEU MD2 1.800 . 5.000 3.588 2.437 4.723 . 0 0 "[ . 1 . 2]" 1
234 1 44 LEU MD1 2 30 THR HA 1.800 . 5.000 4.434 3.427 4.989 . 0 0 "[ . 1 . 2]" 1
235 1 44 LEU MD2 2 30 THR HA 1.800 . 5.000 4.385 3.459 5.009 0.009 10 0 "[ . 1 . 2]" 1
236 1 44 LEU MD2 2 30 THR MG 1.800 . 5.000 4.263 3.218 4.996 . 0 0 "[ . 1 . 2]" 1
237 1 48 LYS HA 2 30 THR MG 1.800 . 5.000 4.785 4.072 5.007 0.007 14 0 "[ . 1 . 2]" 1
238 1 48 LYS QB 2 30 THR MG 1.800 . 5.000 2.509 1.938 3.165 . 0 0 "[ . 1 . 2]" 1
239 1 48 LYS QG 2 30 THR MG 1.800 . 5.000 3.488 2.225 4.608 . 0 0 "[ . 1 . 2]" 1
240 1 44 LEU MD1 2 33 SER HA 1.800 . 5.000 4.113 3.606 5.012 0.012 10 0 "[ . 1 . 2]" 1
241 1 44 LEU MD1 2 33 SER QB 1.800 . 5.000 2.269 1.914 3.012 . 0 0 "[ . 1 . 2]" 1
242 1 44 LEU MD2 2 33 SER QB 1.800 . 5.000 2.999 2.138 3.913 . 0 0 "[ . 1 . 2]" 1
243 1 41 VAL HA 2 34 LEU HA 1.800 . 5.000 4.884 4.535 5.007 0.007 18 0 "[ . 1 . 2]" 1
244 1 61 PHE QD 2 34 LEU MD1 1.800 . 5.000 4.107 3.338 4.714 . 0 0 "[ . 1 . 2]" 1
245 1 41 VAL HA 2 34 LEU MD2 1.800 . 5.000 3.559 2.901 3.917 . 0 0 "[ . 1 . 2]" 1
246 1 41 VAL MG1 2 34 LEU MD2 1.800 . 5.000 2.681 2.050 3.100 . 0 0 "[ . 1 . 2]" 1
247 1 41 VAL MG2 2 34 LEU MD2 1.800 . 5.000 3.946 3.367 4.399 . 0 0 "[ . 1 . 2]" 1
248 1 57 VAL MG1 2 34 LEU MD2 1.800 . 5.000 3.316 2.905 4.933 . 0 0 "[ . 1 . 2]" 1
249 1 57 VAL MG2 2 34 LEU MD2 1.800 . 5.000 4.890 3.904 5.015 0.015 17 0 "[ . 1 . 2]" 1
250 1 61 PHE QD 2 34 LEU MD2 1.800 . 5.000 3.812 3.049 4.320 . 0 0 "[ . 1 . 2]" 1
251 1 61 PHE QE 2 34 LEU MD2 1.800 . 5.000 4.011 3.135 4.589 . 0 0 "[ . 1 . 2]" 1
252 1 40 CYS QB 2 37 LEU MD1 1.800 . 5.000 2.562 1.975 3.473 . 0 0 "[ . 1 . 2]" 1
253 1 41 VAL HA 2 37 LEU MD1 1.800 . 5.000 3.579 2.267 4.533 . 0 0 "[ . 1 . 2]" 1
254 1 41 VAL HB 2 37 LEU MD1 1.800 . 5.000 4.634 4.059 5.006 0.006 13 0 "[ . 1 . 2]" 1
255 1 41 VAL MG2 2 37 LEU MD1 1.800 . 5.000 2.301 1.889 2.609 . 0 0 "[ . 1 . 2]" 1
256 1 40 CYS QB 2 37 LEU MD2 1.800 . 5.000 3.867 2.884 4.767 . 0 0 "[ . 1 . 2]" 1
257 1 61 PHE HZ 2 38 GLY HA3 1.800 . 5.000 3.232 2.547 4.079 . 0 0 "[ . 1 . 2]" 1
258 1 61 PHE HZ 2 38 GLY HA2 1.800 . 5.000 2.034 1.814 2.441 . 0 0 "[ . 1 . 2]" 1
259 1 41 VAL MG2 2 38 GLY QA 1.800 . 5.000 3.913 3.419 4.274 . 0 0 "[ . 1 . 2]" 1
260 1 61 PHE QE 2 38 GLY QA 1.800 . 5.000 2.277 1.840 2.764 . 0 0 "[ . 1 . 2]" 1
261 1 65 LEU QB 2 38 GLY QA 1.800 . 5.000 4.707 4.132 5.009 0.009 20 0 "[ . 1 . 2]" 1
262 1 65 LEU MD1 2 38 GLY QA 1.800 . 5.000 2.855 2.110 3.819 . 0 0 "[ . 1 . 2]" 1
263 1 65 LEU MD2 2 38 GLY QA 1.800 . 5.000 4.189 2.306 4.948 . 0 0 "[ . 1 . 2]" 1
264 1 61 PHE QE 2 38 GLY H 1.800 . 5.000 3.055 2.561 3.634 . 0 0 "[ . 1 . 2]" 1
265 1 61 PHE HZ 2 38 GLY H 1.800 . 5.000 3.794 3.226 4.866 . 0 0 "[ . 1 . 2]" 1
266 1 65 LEU MD1 2 41 VAL HB 1.800 . 5.000 2.476 1.941 3.453 . 0 0 "[ . 1 . 2]" 1
267 1 65 LEU MD2 2 41 VAL HB 1.800 . 5.000 3.429 2.744 3.873 . 0 0 "[ . 1 . 2]" 1
268 1 61 PHE QE 2 41 VAL MG1 1.800 . 5.000 3.978 3.069 4.534 . 0 0 "[ . 1 . 2]" 1
269 1 61 PHE HZ 2 41 VAL MG1 1.800 . 5.000 4.336 3.130 5.002 0.002 12 0 "[ . 1 . 2]" 1
270 1 65 LEU MD1 2 41 VAL MG1 1.800 . 5.000 2.717 2.278 4.080 . 0 0 "[ . 1 . 2]" 1
271 1 65 LEU MD2 2 41 VAL MG1 1.800 . 5.000 2.483 1.804 4.003 . 0 0 "[ . 1 . 2]" 1
272 1 61 PHE QE 2 41 VAL MG2 1.800 . 5.000 3.562 3.210 3.913 . 0 0 "[ . 1 . 2]" 1
273 1 61 PHE HZ 2 41 VAL MG2 1.800 . 5.000 3.073 2.233 3.553 . 0 0 "[ . 1 . 2]" 1
274 1 65 LEU MD1 2 42 THR HA 1.800 . 5.000 3.694 2.917 5.004 0.004 5 0 "[ . 1 . 2]" 1
275 1 65 LEU MD2 2 42 THR HA 1.800 . 5.000 4.619 4.234 5.006 0.006 12 0 "[ . 1 . 2]" 1
276 1 65 LEU MD1 2 42 THR HB 1.800 . 5.000 4.254 3.908 5.009 0.009 20 0 "[ . 1 . 2]" 1
277 1 65 LEU HA 2 42 THR MG 1.800 . 5.000 3.678 2.459 4.159 . 0 0 "[ . 1 . 2]" 1
278 1 65 LEU QB 2 42 THR MG 1.800 . 5.000 4.560 2.522 5.018 0.018 8 0 "[ . 1 . 2]" 1
279 1 65 LEU MD1 2 42 THR MG 1.800 . 5.000 3.166 1.852 4.384 . 0 0 "[ . 1 . 2]" 1
280 1 65 LEU HG 2 42 THR MG 1.800 . 5.000 3.694 2.617 5.019 0.019 7 0 "[ . 1 . 2]" 1
281 1 68 SER H 2 42 THR MG 1.800 . 5.000 4.473 3.584 5.000 . 16 0 "[ . 1 . 2]" 1
282 1 69 VAL HA 2 42 THR MG 1.800 . 5.000 3.561 2.752 4.814 . 0 0 "[ . 1 . 2]" 1
283 1 65 LEU MD1 2 42 THR H 1.800 . 5.000 3.210 2.834 4.307 . 0 0 "[ . 1 . 2]" 1
284 1 65 LEU MD2 2 42 THR H 1.800 . 5.000 4.658 3.482 5.002 0.002 8 0 "[ . 1 . 2]" 1
285 1 69 VAL MG2 2 45 LEU QB 1.800 . 5.000 3.375 2.972 3.889 . 0 0 "[ . 1 . 2]" 1
286 1 73 LEU MD2 2 51 SER QB 1.800 . 5.000 2.926 1.800 4.575 . 0 0 "[ . 1 . 2]" 1
287 1 69 VAL MG1 2 54 ARG HA 1.800 . 5.000 4.203 3.714 5.002 0.002 7 0 "[ . 1 . 2]" 1
288 1 69 VAL MG1 2 54 ARG QB 1.800 . 5.000 2.544 1.857 3.339 . 0 0 "[ . 1 . 2]" 1
289 1 69 VAL MG2 2 54 ARG QB 1.800 . 5.000 3.843 2.790 5.001 0.001 9 0 "[ . 1 . 2]" 1
290 1 69 VAL MG1 2 54 ARG HD3 1.800 . 5.000 3.085 2.226 4.198 . 0 0 "[ . 1 . 2]" 1
291 1 69 VAL MG1 2 54 ARG HD2 1.800 . 5.000 2.938 1.851 3.654 . 0 0 "[ . 1 . 2]" 1
292 1 69 VAL MG2 2 54 ARG QD 1.800 . 5.000 3.666 2.278 4.349 . 0 0 "[ . 1 . 2]" 1
293 1 69 VAL MG1 2 54 ARG QG 1.800 . 5.000 2.896 1.798 4.436 0.002 8 0 "[ . 1 . 2]" 1
294 1 69 VAL MG2 2 54 ARG QG 1.800 . 5.000 3.768 2.184 5.001 0.001 13 0 "[ . 1 . 2]" 1
295 1 69 VAL MG1 2 55 GLN HA 1.800 . 5.000 2.660 1.873 3.618 . 0 0 "[ . 1 . 2]" 1
296 1 69 VAL MG1 2 55 GLN QB 1.800 . 5.000 3.580 2.296 4.666 . 0 0 "[ . 1 . 2]" 1
297 1 69 VAL MG1 2 55 GLN QG 1.800 . 5.000 2.756 1.797 3.722 0.003 9 0 "[ . 1 . 2]" 1
298 1 69 VAL MG2 2 55 GLN QG 1.800 . 5.000 4.464 3.504 5.028 0.028 6 0 "[ . 1 . 2]" 1
299 1 70 LYS QG 2 55 GLN QG 1.800 . 5.000 4.140 2.717 5.007 0.007 20 0 "[ . 1 . 2]" 1
300 1 69 VAL MG1 2 55 GLN H 1.800 . 5.000 3.441 3.051 3.982 . 0 0 "[ . 1 . 2]" 1
301 1 65 LEU MD2 2 58 ALA MB 1.800 . 5.000 3.403 2.733 4.881 . 0 0 "[ . 1 . 2]" 1
302 1 66 ALA HA 2 58 ALA MB 1.800 . 5.000 3.001 2.391 3.759 . 0 0 "[ . 1 . 2]" 1
303 1 69 VAL HB 2 58 ALA MB 1.800 . 5.000 3.675 2.915 4.779 . 0 0 "[ . 1 . 2]" 1
304 1 69 VAL MG1 2 58 ALA MB 1.800 . 5.000 3.175 2.311 4.211 . 0 0 "[ . 1 . 2]" 1
305 1 69 VAL MG2 2 58 ALA MB 1.800 . 5.000 2.421 1.927 3.075 . 0 0 "[ . 1 . 2]" 1
306 1 65 LEU MD1 2 61 PHE QE 1.800 . 5.000 3.950 3.123 4.488 . 0 0 "[ . 1 . 2]" 1
307 1 65 LEU MD2 2 62 ALA MB 1.800 . 5.000 3.632 2.338 5.011 0.011 20 0 "[ . 1 . 2]" 1
308 1 66 ALA MB 2 62 ALA MB 1.800 . 5.000 3.951 3.172 4.927 . 0 0 "[ . 1 . 2]" 1
309 1 5 SER HA 1 7 TYR H 1.800 . 5.000 4.289 3.133 5.007 0.007 2 0 "[ . 1 . 2]" 1
310 1 5 SER QB 1 7 TYR H 1.800 . 5.000 3.800 2.725 5.013 0.013 12 0 "[ . 1 . 2]" 1
311 1 6 LYS QB 1 7 TYR QD 1.800 . 5.000 3.328 2.069 4.654 . 0 0 "[ . 1 . 2]" 1
312 1 6 LYS QB 1 7 TYR QE 1.800 . 5.000 3.820 2.781 5.016 0.016 10 0 "[ . 1 . 2]" 1
313 1 6 LYS QD 1 7 TYR QD 1.800 . 5.000 4.318 2.544 5.008 0.008 7 0 "[ . 1 . 2]" 1
314 1 6 LYS QE 1 7 TYR QD 1.800 . 5.000 3.990 2.236 5.026 0.026 8 0 "[ . 1 . 2]" 1
315 1 7 TYR HB3 1 12 VAL MG2 1.800 . 5.000 3.420 2.093 4.827 . 0 0 "[ . 1 . 2]" 1
316 1 7 TYR HB2 1 12 VAL MG2 1.800 . 5.000 3.070 2.354 4.027 . 0 0 "[ . 1 . 2]" 1
317 1 7 TYR QB 1 11 GLN QB 1.800 . 5.000 3.284 2.517 4.322 . 0 0 "[ . 1 . 2]" 1
318 1 7 TYR QD 1 11 GLN QB 1.800 . 5.000 4.529 3.627 5.003 0.003 2 0 "[ . 1 . 2]" 1
319 1 7 TYR QD 1 12 VAL MG2 1.800 . 5.000 3.173 2.182 3.918 . 0 0 "[ . 1 . 2]" 1
320 1 7 TYR QE 1 12 VAL MG2 1.800 . 5.000 4.315 3.050 5.014 0.014 9 0 "[ . 1 . 2]" 1
321 1 8 SER HA 1 11 GLN H 1.800 . 5.000 4.536 4.075 5.001 0.001 5 0 "[ . 1 . 2]" 1
322 1 8 SER HA 1 9 ASN H 1.800 . 3.500 2.344 2.161 2.699 . 0 0 "[ . 1 . 2]" 1
323 1 8 SER QB 1 10 THR H 1.800 . 5.000 3.226 2.594 4.110 . 0 0 "[ . 1 . 2]" 1
324 1 8 SER QB 1 11 GLN H 1.800 . 5.000 2.832 2.246 3.920 . 0 0 "[ . 1 . 2]" 1
325 1 8 SER H 1 11 GLN QB 1.800 . 5.000 2.742 1.797 3.631 0.003 13 0 "[ . 1 . 2]" 1
326 1 8 SER H 1 11 GLN QG 1.800 . 5.000 4.193 3.075 5.013 0.013 8 0 "[ . 1 . 2]" 1
327 1 8 SER H 1 11 GLN H 1.800 . 5.000 4.037 3.302 4.745 . 0 0 "[ . 1 . 2]" 1
328 1 8 SER H 1 12 VAL MG2 1.800 . 5.000 3.832 2.438 4.721 . 0 0 "[ . 1 . 2]" 1
329 1 9 ASN HA 1 11 GLN H 1.800 . 5.000 4.289 4.004 4.526 . 0 0 "[ . 1 . 2]" 1
330 1 9 ASN HA 1 12 VAL HB 1.800 . 5.000 3.106 2.646 3.721 . 0 0 "[ . 1 . 2]" 1
331 1 9 ASN HA 1 12 VAL MG1 1.800 . 5.000 4.456 4.030 5.002 0.002 7 0 "[ . 1 . 2]" 1
332 1 9 ASN HA 1 12 VAL MG2 1.800 . 5.000 3.161 2.534 4.085 . 0 0 "[ . 1 . 2]" 1
333 1 9 ASN HA 1 12 VAL H 1.800 . 5.000 3.577 3.176 4.064 . 0 0 "[ . 1 . 2]" 1
334 1 9 ASN HA 1 13 GLU H 1.800 . 5.000 3.910 3.449 4.211 . 0 0 "[ . 1 . 2]" 1
335 1 9 ASN H 1 10 THR H 1.800 . 3.500 2.733 2.548 2.975 . 0 0 "[ . 1 . 2]" 1
336 1 9 ASN H 1 11 GLN H 1.800 . 5.000 4.175 3.832 4.669 . 0 0 "[ . 1 . 2]" 1
337 1 10 THR HA 1 13 GLU QB 1.800 . 5.000 2.644 1.790 3.686 0.010 7 0 "[ . 1 . 2]" 1
338 1 10 THR HA 1 13 GLU QG 1.800 . 5.000 4.405 3.614 4.992 . 0 0 "[ . 1 . 2]" 1
339 1 10 THR HA 1 13 GLU H 1.800 . 5.000 3.644 3.119 4.253 . 0 0 "[ . 1 . 2]" 1
340 1 10 THR MG 1 14 SER H 1.800 . 5.000 4.303 3.769 5.007 0.007 18 0 "[ . 1 . 2]" 1
341 1 10 THR H 1 11 GLN QB 1.800 . 5.000 4.418 4.137 4.715 . 0 0 "[ . 1 . 2]" 1
342 1 10 THR H 1 11 GLN H 1.800 . 3.500 2.671 2.421 2.941 . 0 0 "[ . 1 . 2]" 1
343 1 10 THR H 1 13 GLU H 1.800 . 5.000 4.749 4.584 4.887 . 0 0 "[ . 1 . 2]" 1
344 1 11 GLN HA 1 14 SER H 1.800 . 5.000 3.693 3.425 3.992 . 0 0 "[ . 1 . 2]" 1
345 1 11 GLN QG 1 15 LEU MD1 1.800 . 5.000 3.410 2.211 4.991 . 0 0 "[ . 1 . 2]" 1
346 1 11 GLN H 1 12 VAL MG2 1.800 . 5.000 4.019 3.764 4.268 . 0 0 "[ . 1 . 2]" 1
347 1 11 GLN H 1 13 GLU H 1.800 . 5.000 4.101 3.766 4.322 . 0 0 "[ . 1 . 2]" 1
348 1 12 VAL HA 1 14 SER H 1.800 . 5.000 4.530 4.341 4.860 . 0 0 "[ . 1 . 2]" 1
349 1 12 VAL HA 1 15 LEU QB 1.800 . 5.000 2.670 2.465 3.073 . 0 0 "[ . 1 . 2]" 1
350 1 12 VAL HA 1 15 LEU MD1 1.800 . 5.000 4.021 2.789 5.011 0.011 9 0 "[ . 1 . 2]" 1
351 1 12 VAL HA 1 15 LEU MD2 1.800 . 5.000 3.398 2.818 5.002 0.002 16 0 "[ . 1 . 2]" 1
352 1 12 VAL HA 1 15 LEU H 1.800 . 5.000 3.533 3.375 3.743 . 0 0 "[ . 1 . 2]" 1
353 1 12 VAL HA 1 16 ILE H 1.800 . 5.000 4.075 3.854 4.334 . 0 0 "[ . 1 . 2]" 1
354 1 12 VAL MG1 1 15 LEU H 1.800 . 5.000 4.687 4.518 4.896 . 0 0 "[ . 1 . 2]" 1
355 1 12 VAL MG1 1 16 ILE MD 1.800 . 5.000 2.172 1.947 2.766 . 0 0 "[ . 1 . 2]" 1
356 1 12 VAL MG1 1 16 ILE QG 1.800 . 5.000 2.606 2.395 3.093 . 0 0 "[ . 1 . 2]" 1
357 1 12 VAL MG1 1 16 ILE H 1.800 . 5.000 3.892 3.739 4.257 . 0 0 "[ . 1 . 2]" 1
358 1 12 VAL MG2 1 16 ILE MD 1.800 . 5.000 4.520 4.272 4.826 . 0 0 "[ . 1 . 2]" 1
359 1 12 VAL H 1 13 GLU H 1.800 . 3.500 2.705 2.551 2.839 . 0 0 "[ . 1 . 2]" 1
360 1 12 VAL H 1 14 SER H 1.800 . 5.000 4.224 4.022 4.462 . 0 0 "[ . 1 . 2]" 1
361 1 12 VAL H 1 15 LEU H 1.800 . 5.000 4.765 4.553 5.011 0.011 7 0 "[ . 1 . 2]" 1
362 1 13 GLU HA 1 16 ILE HB 1.800 . 5.000 2.847 2.510 3.109 . 0 0 "[ . 1 . 2]" 1
363 1 13 GLU HA 1 16 ILE MD 1.800 . 5.000 2.625 2.003 4.493 . 0 0 "[ . 1 . 2]" 1
364 1 13 GLU HA 1 16 ILE H 1.800 . 5.000 3.549 3.288 3.838 . 0 0 "[ . 1 . 2]" 1
365 1 13 GLU HA 1 17 ALA H 1.800 . 5.000 3.998 3.776 4.303 . 0 0 "[ . 1 . 2]" 1
366 1 13 GLU QB 1 15 LEU H 1.800 . 5.000 4.681 4.510 4.965 . 0 0 "[ . 1 . 2]" 1
367 1 13 GLU QG 1 16 ILE MG 1.800 . 5.000 4.698 3.976 5.005 0.005 11 0 "[ . 1 . 2]" 1
368 1 13 GLU H 1 14 SER H 1.800 . 3.500 2.754 2.553 2.954 . 0 0 "[ . 1 . 2]" 1
369 1 13 GLU H 1 15 LEU H 1.800 . 5.000 4.141 3.993 4.345 . 0 0 "[ . 1 . 2]" 1
370 1 14 SER HA 1 17 ALA MB 1.800 . 5.000 2.537 2.142 2.863 . 0 0 "[ . 1 . 2]" 1
371 1 14 SER HA 1 17 ALA H 1.800 . 5.000 3.479 3.142 3.747 . 0 0 "[ . 1 . 2]" 1
372 1 14 SER HA 1 18 GLU H 1.800 . 5.000 4.171 3.864 4.349 . 0 0 "[ . 1 . 2]" 1
373 1 14 SER QB 1 17 ALA MB 1.800 . 5.000 4.062 3.579 4.543 . 0 0 "[ . 1 . 2]" 1
374 1 14 SER H 1 15 LEU H 1.800 . 3.500 2.658 2.491 2.845 . 0 0 "[ . 1 . 2]" 1
375 1 14 SER H 1 17 ALA MB 1.800 . 5.000 4.589 4.255 4.791 . 0 0 "[ . 1 . 2]" 1
376 1 15 LEU HA 1 17 ALA H 1.800 . 5.000 4.461 4.293 4.559 . 0 0 "[ . 1 . 2]" 1
377 1 15 LEU HA 1 18 GLU QB 1.800 . 5.000 2.957 2.425 3.349 . 0 0 "[ . 1 . 2]" 1
378 1 15 LEU HA 1 18 GLU H 1.800 . 5.000 3.499 3.152 3.729 . 0 0 "[ . 1 . 2]" 1
379 1 15 LEU HA 1 19 ILE H 1.800 . 5.000 4.318 4.048 4.526 . 0 0 "[ . 1 . 2]" 1
380 1 15 LEU QB 1 19 ILE MD 1.800 . 5.000 3.668 2.904 4.597 . 0 0 "[ . 1 . 2]" 1
381 1 15 LEU H 1 16 ILE HB 1.800 . 5.000 4.861 4.705 4.989 . 0 0 "[ . 1 . 2]" 1
382 1 15 LEU H 1 16 ILE QG 1.800 . 5.000 4.235 4.053 4.465 . 0 0 "[ . 1 . 2]" 1
383 1 15 LEU H 1 16 ILE H 1.800 . 3.500 2.723 2.624 2.849 . 0 0 "[ . 1 . 2]" 1
384 1 15 LEU H 1 17 ALA H 1.800 . 5.000 4.075 3.933 4.196 . 0 0 "[ . 1 . 2]" 1
385 1 16 ILE HA 1 18 GLU H 1.800 . 5.000 4.410 4.081 4.600 . 0 0 "[ . 1 . 2]" 1
386 1 16 ILE HA 1 19 ILE HB 1.800 . 5.000 3.479 2.666 5.008 0.008 4 0 "[ . 1 . 2]" 1
387 1 16 ILE HA 1 19 ILE MD 1.800 . 5.000 2.631 1.797 4.269 0.003 20 0 "[ . 1 . 2]" 1
388 1 16 ILE HA 1 19 ILE MG 1.800 . 5.000 4.237 3.632 4.552 . 0 0 "[ . 1 . 2]" 1
389 1 16 ILE HA 1 19 ILE H 1.800 . 5.000 3.578 3.368 3.860 . 0 0 "[ . 1 . 2]" 1
390 1 16 ILE HA 1 20 LEU H 1.800 . 5.000 4.208 3.910 4.493 . 0 0 "[ . 1 . 2]" 1
391 1 16 ILE MG 1 20 LEU MD1 1.800 . 5.000 2.384 2.130 3.336 . 0 0 "[ . 1 . 2]" 1
392 1 16 ILE MG 1 20 LEU MD2 1.800 . 5.000 3.184 2.844 3.604 . 0 0 "[ . 1 . 2]" 1
393 1 16 ILE MG 1 20 LEU HG 1.800 . 5.000 2.724 2.295 4.942 . 0 0 "[ . 1 . 2]" 1
394 1 16 ILE H 1 18 GLU H 1.800 . 5.000 4.248 3.970 4.448 . 0 0 "[ . 1 . 2]" 1
395 1 17 ALA HA 1 20 LEU QB 1.800 . 5.000 2.700 2.304 3.068 . 0 0 "[ . 1 . 2]" 1
396 1 17 ALA HA 1 20 LEU MD1 1.800 . 5.000 2.500 1.952 5.008 0.008 7 0 "[ . 1 . 2]" 1
397 1 17 ALA HA 1 20 LEU H 1.800 . 5.000 3.545 3.295 3.737 . 0 0 "[ . 1 . 2]" 1
398 1 17 ALA H 1 18 GLU QB 1.800 . 5.000 4.630 4.432 4.871 . 0 0 "[ . 1 . 2]" 1
399 1 17 ALA H 1 18 GLU H 1.800 . 3.500 2.769 2.669 2.897 . 0 0 "[ . 1 . 2]" 1
400 1 18 GLU HA 1 21 VAL HB 1.800 . 5.000 2.677 2.228 3.070 . 0 0 "[ . 1 . 2]" 1
401 1 18 GLU HA 1 21 VAL MG1 1.800 . 5.000 3.982 3.649 4.330 . 0 0 "[ . 1 . 2]" 1
402 1 18 GLU HA 1 21 VAL H 1.800 . 5.000 3.279 2.833 3.736 . 0 0 "[ . 1 . 2]" 1
403 1 18 GLU HA 1 22 VAL H 1.800 . 5.000 4.370 3.879 4.639 . 0 0 "[ . 1 . 2]" 1
404 1 18 GLU H 1 19 ILE MD 1.800 . 5.000 4.966 4.698 5.011 0.011 8 0 "[ . 1 . 2]" 1
405 1 18 GLU H 1 19 ILE H 1.800 . 3.500 2.648 2.533 2.803 . 0 0 "[ . 1 . 2]" 1
406 1 18 GLU H 1 20 LEU H 1.800 . 5.000 4.057 3.741 4.296 . 0 0 "[ . 1 . 2]" 1
407 1 19 ILE HA 1 21 VAL H 1.800 . 5.000 4.305 4.126 4.514 . 0 0 "[ . 1 . 2]" 1
408 1 19 ILE HA 1 22 VAL HB 1.800 . 5.000 3.104 2.615 3.563 . 0 0 "[ . 1 . 2]" 1
409 1 19 ILE HA 1 22 VAL MG2 1.800 . 5.000 2.697 2.130 3.363 . 0 0 "[ . 1 . 2]" 1
410 1 19 ILE HA 1 22 VAL H 1.800 . 5.000 3.393 2.942 3.658 . 0 0 "[ . 1 . 2]" 1
411 1 19 ILE H 1 20 LEU H 1.800 . 3.500 2.622 2.513 2.723 . 0 0 "[ . 1 . 2]" 1
412 1 19 ILE H 1 21 VAL H 1.800 . 5.000 4.016 3.862 4.172 . 0 0 "[ . 1 . 2]" 1
413 1 19 ILE H 1 22 VAL MG2 1.800 . 5.000 4.498 4.102 4.945 . 0 0 "[ . 1 . 2]" 1
414 1 20 LEU HA 1 23 LEU QB 1.800 . 5.000 2.742 2.446 3.118 . 0 0 "[ . 1 . 2]" 1
415 1 20 LEU HA 1 23 LEU H 1.800 . 5.000 3.363 3.211 3.549 . 0 0 "[ . 1 . 2]" 1
416 1 20 LEU H 1 21 VAL QG 1.800 . 5.000 4.054 3.925 4.173 . 0 0 "[ . 1 . 2]" 1
417 1 20 LEU H 1 21 VAL H 1.800 . 3.500 2.630 2.573 2.710 . 0 0 "[ . 1 . 2]" 1
418 1 20 LEU H 1 22 VAL H 1.800 . 5.000 4.132 3.950 4.363 . 0 0 "[ . 1 . 2]" 1
419 1 21 VAL HA 1 24 GLU QB 1.800 . 5.000 2.517 1.968 3.916 . 0 0 "[ . 1 . 2]" 1
420 1 21 VAL HA 1 24 GLU QG 1.800 . 5.000 3.812 1.829 4.806 . 0 0 "[ . 1 . 2]" 1
421 1 21 VAL HA 1 24 GLU H 1.800 . 5.000 3.332 3.055 3.559 . 0 0 "[ . 1 . 2]" 1
422 1 21 VAL HA 1 25 LYS H 1.800 . 5.000 3.894 3.606 4.207 . 0 0 "[ . 1 . 2]" 1
423 1 21 VAL MG1 1 24 GLU QB 1.800 . 5.000 3.635 2.868 4.877 . 0 0 "[ . 1 . 2]" 1
424 1 21 VAL MG1 1 25 LYS QB 1.800 . 5.000 3.298 2.576 4.296 . 0 0 "[ . 1 . 2]" 1
425 1 21 VAL MG1 1 25 LYS QD 1.800 . 5.000 3.568 2.288 5.005 0.005 13 0 "[ . 1 . 2]" 1
426 1 21 VAL MG1 1 25 LYS QE 1.800 . 5.000 3.092 1.796 4.498 0.004 14 0 "[ . 1 . 2]" 1
427 1 21 VAL MG1 1 25 LYS QG 1.800 . 5.000 3.609 2.138 5.004 0.004 15 0 "[ . 1 . 2]" 1
428 1 21 VAL MG2 1 24 GLU QB 1.800 . 5.000 4.037 3.627 5.006 0.006 20 0 "[ . 1 . 2]" 1
429 1 21 VAL QG 1 25 LYS H 1.800 . 5.000 3.756 3.551 3.888 . 0 0 "[ . 1 . 2]" 1
430 1 21 VAL H 1 22 VAL MG2 1.800 . 5.000 4.139 3.879 4.374 . 0 0 "[ . 1 . 2]" 1
431 1 21 VAL H 1 22 VAL H 1.800 . 3.500 2.703 2.597 2.775 . 0 0 "[ . 1 . 2]" 1
432 1 22 VAL HA 1 25 LYS QB 1.800 . 5.000 2.634 2.287 2.891 . 0 0 "[ . 1 . 2]" 1
433 1 22 VAL HA 1 25 LYS QD 1.800 . 5.000 3.500 2.067 4.450 . 0 0 "[ . 1 . 2]" 1
434 1 22 VAL HA 1 25 LYS H 1.800 . 5.000 3.442 3.075 3.690 . 0 0 "[ . 1 . 2]" 1
435 1 22 VAL HA 1 26 HIS H 1.800 . 5.000 4.556 4.160 5.003 0.003 1 0 "[ . 1 . 2]" 1
436 1 22 VAL MG1 1 25 LYS QB 1.800 . 5.000 3.668 3.034 4.138 . 0 0 "[ . 1 . 2]" 1
437 1 22 VAL MG1 1 26 HIS HD2 1.800 . 5.000 2.903 2.235 4.235 . 0 0 "[ . 1 . 2]" 1
438 1 22 VAL MG2 1 25 LYS QD 1.800 . 5.000 4.254 2.828 5.009 0.009 16 0 "[ . 1 . 2]" 1
439 1 22 VAL MG2 1 25 LYS QE 1.800 . 5.000 4.163 3.042 5.003 0.003 5 0 "[ . 1 . 2]" 1
440 1 22 VAL H 1 23 LEU QB 1.800 . 5.000 4.669 4.471 4.745 . 0 0 "[ . 1 . 2]" 1
441 1 22 VAL H 1 23 LEU HG 1.800 . 5.000 4.561 4.430 4.828 . 0 0 "[ . 1 . 2]" 1
442 1 22 VAL H 1 24 GLU H 1.800 . 5.000 4.113 3.824 4.236 . 0 0 "[ . 1 . 2]" 1
443 1 23 LEU HA 1 25 LYS H 1.800 . 5.000 4.368 4.032 4.602 . 0 0 "[ . 1 . 2]" 1
444 1 23 LEU HA 1 26 HIS HD2 1.800 . 5.000 4.191 2.819 5.012 0.012 15 0 "[ . 1 . 2]" 1
445 1 23 LEU HA 1 26 HIS H 1.800 . 5.000 3.773 3.197 4.032 . 0 0 "[ . 1 . 2]" 1
446 1 23 LEU HA 1 27 LYS H 1.800 . 5.000 4.799 4.216 5.010 0.010 17 0 "[ . 1 . 2]" 1
447 1 23 LEU HA 1 28 ALA MB 1.800 . 5.000 3.267 2.573 4.005 . 0 0 "[ . 1 . 2]" 1
448 1 23 LEU HB3 1 28 ALA MB 1.800 . 5.000 3.052 1.922 3.515 . 0 0 "[ . 1 . 2]" 1
449 1 23 LEU HB2 1 28 ALA MB 1.800 . 5.000 4.546 3.469 5.008 0.008 14 0 "[ . 1 . 2]" 1
450 1 23 LEU QB 1 28 ALA MB 1.800 . 5.000 3.006 1.913 3.449 . 0 0 "[ . 1 . 2]" 1
451 1 23 LEU QB 1 28 ALA H 1.800 . 5.000 4.007 3.549 5.001 0.001 5 0 "[ . 1 . 2]" 1
452 1 23 LEU MD1 1 28 ALA MB 1.800 . 5.000 4.082 3.074 4.519 . 0 0 "[ . 1 . 2]" 1
453 1 23 LEU MD1 1 33 SER HA 1.800 . 5.000 3.813 3.143 4.386 . 0 0 "[ . 1 . 2]" 1
454 1 23 LEU MD1 1 33 SER HB3 1.800 . 5.000 3.162 1.895 4.499 . 0 0 "[ . 1 . 2]" 1
455 1 23 LEU MD1 1 33 SER HB2 1.800 . 5.000 3.567 1.923 5.000 . 18 0 "[ . 1 . 2]" 1
456 1 23 LEU MD1 1 36 ALA MB 1.800 . 5.000 4.330 3.744 4.605 . 0 0 "[ . 1 . 2]" 1
457 1 23 LEU MD1 1 37 LEU MD1 1.800 . 5.000 3.248 2.094 4.133 . 0 0 "[ . 1 . 2]" 1
458 1 23 LEU MD1 1 37 LEU HG 1.800 . 5.000 3.698 2.633 5.004 0.004 17 0 "[ . 1 . 2]" 1
459 1 23 LEU MD2 1 28 ALA MB 1.800 . 5.000 2.844 1.910 3.275 . 0 0 "[ . 1 . 2]" 1
460 1 23 LEU MD2 1 28 ALA H 1.800 . 5.000 4.675 4.109 5.014 0.014 5 0 "[ . 1 . 2]" 1
461 1 23 LEU MD2 1 33 SER HA 1.800 . 5.000 2.751 2.253 3.271 . 0 0 "[ . 1 . 2]" 1
462 1 23 LEU MD2 1 33 SER QB 1.800 . 5.000 3.101 2.557 4.171 . 0 0 "[ . 1 . 2]" 1
463 1 23 LEU MD2 1 36 ALA MB 1.800 . 5.000 2.925 2.368 3.251 . 0 0 "[ . 1 . 2]" 1
464 1 23 LEU H 1 24 GLU H 1.800 . 3.500 2.844 2.654 3.027 . 0 0 "[ . 1 . 2]" 1
465 1 23 LEU H 1 25 LYS H 1.800 . 5.000 4.153 3.892 4.338 . 0 0 "[ . 1 . 2]" 1
466 1 24 GLU HA 1 26 HIS H 1.800 . 5.000 4.111 3.837 4.501 . 0 0 "[ . 1 . 2]" 1
467 1 24 GLU HA 1 28 ALA H 1.800 . 5.000 3.809 2.960 4.553 . 0 0 "[ . 1 . 2]" 1
468 1 24 GLU QB 1 26 HIS H 1.800 . 5.000 4.744 4.456 5.003 0.003 20 0 "[ . 1 . 2]" 1
469 1 24 GLU H 1 25 LYS H 1.800 . 3.500 2.626 2.508 2.752 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLU H 1 26 HIS H 1.800 . 5.000 4.229 3.829 4.440 . 0 0 "[ . 1 . 2]" 1
471 1 25 LYS HA 1 27 LYS H 1.800 . 5.000 3.908 3.574 4.296 . 0 0 "[ . 1 . 2]" 1
472 1 25 LYS QB 1 26 HIS HD2 1.800 . 5.000 3.092 2.552 4.058 . 0 0 "[ . 1 . 2]" 1
473 1 25 LYS QB 1 27 LYS H 1.800 . 5.000 4.389 4.215 4.718 . 0 0 "[ . 1 . 2]" 1
474 1 25 LYS H 1 26 HIS H 1.800 . 3.500 2.675 2.474 2.820 . 0 0 "[ . 1 . 2]" 1
475 1 25 LYS H 1 27 LYS H 1.800 . 5.000 3.737 3.460 4.071 . 0 0 "[ . 1 . 2]" 1
476 1 26 HIS HB3 1 28 ALA H 1.800 . 5.000 4.405 3.344 5.019 0.019 1 0 "[ . 1 . 2]" 1
477 1 26 HIS HB2 1 28 ALA H 1.800 . 5.000 3.638 2.688 4.355 . 0 0 "[ . 1 . 2]" 1
478 1 26 HIS QB 1 28 ALA MB 1.800 . 5.000 3.079 2.347 4.528 . 0 0 "[ . 1 . 2]" 1
479 1 26 HIS H 1 27 LYS H 1.800 . 2.900 2.262 2.092 2.380 . 0 0 "[ . 1 . 2]" 1
480 1 26 HIS H 1 28 ALA MB 1.800 . 5.000 4.582 4.024 5.006 0.006 7 0 "[ . 1 . 2]" 1
481 1 26 HIS H 1 28 ALA H 1.800 . 5.000 4.053 3.531 4.800 . 0 0 "[ . 1 . 2]" 1
482 1 27 LYS HA 1 28 ALA H 1.800 . 3.500 2.609 2.247 3.513 0.013 5 0 "[ . 1 . 2]" 1
483 1 27 LYS H 1 28 ALA H 1.800 . 3.500 2.924 2.575 3.429 . 0 0 "[ . 1 . 2]" 1
484 1 28 ALA HA 1 29 PRO HD3 1.800 . 5.000 2.145 1.832 2.496 . 0 0 "[ . 1 . 2]" 1
485 1 28 ALA HA 1 29 PRO HD2 1.800 . 5.000 2.315 1.924 2.677 . 0 0 "[ . 1 . 2]" 1
486 1 28 ALA HA 1 29 PRO QG 1.800 . 5.000 3.799 3.713 4.044 . 0 0 "[ . 1 . 2]" 1
487 1 28 ALA HA 1 32 LEU MD2 1.800 . 5.000 2.593 2.065 3.274 . 0 0 "[ . 1 . 2]" 1
488 1 28 ALA MB 1 29 PRO QD 1.800 . 5.000 2.825 2.370 3.474 . 0 0 "[ . 1 . 2]" 1
489 1 28 ALA MB 1 32 LEU QB 1.800 . 5.000 2.418 2.076 3.347 . 0 0 "[ . 1 . 2]" 1
490 1 28 ALA MB 1 32 LEU MD2 1.800 . 5.000 2.344 1.989 3.053 . 0 0 "[ . 1 . 2]" 1
491 1 28 ALA MB 1 32 LEU HG 1.800 . 5.000 2.804 2.261 3.619 . 0 0 "[ . 1 . 2]" 1
492 1 28 ALA MB 1 33 SER HA 1.800 . 5.000 3.192 2.821 3.641 . 0 0 "[ . 1 . 2]" 1
493 1 28 ALA MB 1 33 SER H 1.800 . 5.000 3.292 3.017 3.714 . 0 0 "[ . 1 . 2]" 1
494 1 28 ALA H 1 29 PRO QD 1.800 . 5.000 4.166 2.715 4.341 . 0 0 "[ . 1 . 2]" 1
495 1 29 PRO HB3 1 30 THR H 1.800 . 4.000 3.134 2.745 3.577 . 0 0 "[ . 1 . 2]" 1
496 1 29 PRO HB3 1 31 ASP H 1.800 . 5.000 4.078 3.612 4.624 . 0 0 "[ . 1 . 2]" 1
497 1 29 PRO HB2 1 30 THR H 1.800 . 4.000 2.956 2.481 3.404 . 0 0 "[ . 1 . 2]" 1
498 1 29 PRO HB2 1 31 ASP H 1.800 . 5.000 2.809 2.470 3.155 . 0 0 "[ . 1 . 2]" 1
499 1 29 PRO QB 1 32 LEU H 1.800 . 5.000 2.889 2.423 3.263 . 0 0 "[ . 1 . 2]" 1
500 1 29 PRO HD3 1 32 LEU MD2 1.800 . 5.000 3.320 2.710 3.696 . 0 0 "[ . 1 . 2]" 1
501 1 29 PRO HD2 1 32 LEU MD2 1.800 . 5.000 2.377 1.859 2.969 . 0 0 "[ . 1 . 2]" 1
502 1 29 PRO QD 1 32 LEU QB 1.800 . 5.000 2.129 1.857 2.420 . 0 0 "[ . 1 . 2]" 1
503 1 29 PRO QD 1 32 LEU H 1.800 . 5.000 3.599 3.156 4.070 . 0 0 "[ . 1 . 2]" 1
504 1 29 PRO QG 1 32 LEU QB 1.800 . 5.000 2.905 2.026 3.677 . 0 0 "[ . 1 . 2]" 1
505 1 29 PRO QG 1 32 LEU MD2 1.800 . 5.000 3.596 3.001 4.263 . 0 0 "[ . 1 . 2]" 1
506 1 30 THR HA 1 33 SER H 1.800 . 5.000 3.577 3.216 3.915 . 0 0 "[ . 1 . 2]" 1
507 1 30 THR HA 1 34 LEU H 1.800 . 5.000 3.890 3.611 4.219 . 0 0 "[ . 1 . 2]" 1
508 1 30 THR MG 1 34 LEU QB 1.800 . 5.000 4.120 3.786 5.004 0.004 1 0 "[ . 1 . 2]" 1
509 1 30 THR MG 1 34 LEU MD1 1.800 . 5.000 2.430 2.121 3.432 . 0 0 "[ . 1 . 2]" 1
510 1 30 THR MG 1 34 LEU HG 1.800 . 5.000 2.701 2.241 3.337 . 0 0 "[ . 1 . 2]" 1
511 1 30 THR MG 1 34 LEU H 1.800 . 5.000 4.050 3.562 4.526 . 0 0 "[ . 1 . 2]" 1
512 1 30 THR H 1 33 SER H 1.800 . 5.000 4.728 4.573 4.848 . 0 0 "[ . 1 . 2]" 1
513 1 31 ASP HA 1 34 LEU QB 1.800 . 5.000 3.253 2.730 3.673 . 0 0 "[ . 1 . 2]" 1
514 1 31 ASP HA 1 34 LEU MD1 1.800 . 5.000 3.042 2.387 3.545 . 0 0 "[ . 1 . 2]" 1
515 1 31 ASP HA 1 34 LEU H 1.800 . 5.000 3.908 3.596 4.325 . 0 0 "[ . 1 . 2]" 1
516 1 31 ASP HA 1 35 MET H 1.800 . 5.000 4.342 3.898 4.632 . 0 0 "[ . 1 . 2]" 1
517 1 31 ASP QB 1 35 MET ME 1.800 . 5.000 4.295 3.000 5.005 0.005 18 0 "[ . 1 . 2]" 1
518 1 31 ASP H 1 32 LEU H 1.800 . 3.500 2.790 2.566 3.003 . 0 0 "[ . 1 . 2]" 1
519 1 31 ASP H 1 33 SER H 1.800 . 5.000 4.093 3.876 4.285 . 0 0 "[ . 1 . 2]" 1
520 1 32 LEU HA 1 35 MET QB 1.800 . 5.000 2.530 2.203 2.968 . 0 0 "[ . 1 . 2]" 1
521 1 32 LEU HA 1 35 MET ME 1.800 . 5.000 3.483 1.992 4.698 . 0 0 "[ . 1 . 2]" 1
522 1 32 LEU HA 1 35 MET H 1.800 . 5.000 3.448 3.295 3.686 . 0 0 "[ . 1 . 2]" 1
523 1 32 LEU HA 1 36 ALA H 1.800 . 5.000 3.984 3.769 4.207 . 0 0 "[ . 1 . 2]" 1
524 1 32 LEU MD1 1 35 MET QB 1.800 . 5.000 2.681 2.341 3.219 . 0 0 "[ . 1 . 2]" 1
525 1 32 LEU MD1 1 35 MET ME 1.800 . 5.000 3.519 2.089 4.669 . 0 0 "[ . 1 . 2]" 1
526 1 32 LEU MD1 1 35 MET H 1.800 . 5.000 4.448 4.186 4.794 . 0 0 "[ . 1 . 2]" 1
527 1 32 LEU MD1 1 36 ALA MB 1.800 . 5.000 3.523 3.138 3.791 . 0 0 "[ . 1 . 2]" 1
528 1 32 LEU MD1 1 36 ALA H 1.800 . 5.000 3.797 3.413 4.117 . 0 0 "[ . 1 . 2]" 1
529 1 32 LEU H 1 33 SER H 1.800 . 3.500 2.558 2.459 2.723 . 0 0 "[ . 1 . 2]" 1
530 1 32 LEU H 1 34 LEU H 1.800 . 5.000 4.290 4.099 4.512 . 0 0 "[ . 1 . 2]" 1
531 1 32 LEU H 1 35 MET H 1.800 . 5.000 4.754 4.666 4.931 . 0 0 "[ . 1 . 2]" 1
532 1 33 SER HA 1 36 ALA MB 1.800 . 5.000 2.791 2.503 3.275 . 0 0 "[ . 1 . 2]" 1
533 1 33 SER HA 1 36 ALA H 1.800 . 5.000 3.498 3.230 3.797 . 0 0 "[ . 1 . 2]" 1
534 1 33 SER QB 1 37 LEU MD2 1.800 . 5.000 3.260 2.640 4.156 . 0 0 "[ . 1 . 2]" 1
535 1 33 SER H 1 34 LEU QB 1.800 . 5.000 4.681 4.563 4.793 . 0 0 "[ . 1 . 2]" 1
536 1 33 SER H 1 34 LEU HG 1.800 . 5.000 4.592 4.457 4.695 . 0 0 "[ . 1 . 2]" 1
537 1 33 SER H 1 35 MET H 1.800 . 5.000 4.035 3.914 4.312 . 0 0 "[ . 1 . 2]" 1
538 1 33 SER H 1 36 ALA H 1.800 . 5.000 4.699 4.580 5.004 0.004 17 0 "[ . 1 . 2]" 1
539 1 34 LEU HA 1 37 LEU QB 1.800 . 5.000 2.722 2.423 3.774 . 0 0 "[ . 1 . 2]" 1
540 1 34 LEU HA 1 37 LEU H 1.800 . 5.000 3.668 3.359 4.030 . 0 0 "[ . 1 . 2]" 1
541 1 34 LEU HA 1 38 GLY H 1.800 . 5.000 3.762 3.518 3.995 . 0 0 "[ . 1 . 2]" 1
542 1 34 LEU MD2 1 37 LEU QB 1.800 . 5.000 3.668 3.394 4.637 . 0 0 "[ . 1 . 2]" 1
543 1 34 LEU MD2 1 37 LEU MD2 1.800 . 5.000 4.254 2.461 5.004 0.004 2 0 "[ . 1 . 2]" 1
544 1 34 LEU H 1 35 MET H 1.800 . 3.500 2.673 2.597 2.799 . 0 0 "[ . 1 . 2]" 1
545 1 34 LEU H 1 36 ALA H 1.800 . 5.000 4.289 4.047 4.600 . 0 0 "[ . 1 . 2]" 1
546 1 34 LEU H 1 37 LEU QB 1.800 . 5.000 4.772 4.503 5.010 0.010 12 0 "[ . 1 . 2]" 1
547 1 34 LEU H 1 37 LEU H 1.800 . 5.000 4.797 4.655 5.005 0.005 20 0 "[ . 1 . 2]" 1
548 1 35 MET HA 1 38 GLY H 1.800 . 5.000 3.769 3.459 4.022 . 0 0 "[ . 1 . 2]" 1
549 1 35 MET HA 1 39 ASN H 1.800 . 5.000 4.190 3.786 5.000 . 0 0 "[ . 1 . 2]" 1
550 1 35 MET QB 1 39 ASN QD 1.800 . 5.000 4.122 3.258 5.012 0.012 4 0 "[ . 1 . 2]" 1
551 1 35 MET QG 1 39 ASN QD 1.800 . 5.000 3.292 2.047 5.005 0.005 2 0 "[ . 1 . 2]" 1
552 1 35 MET H 1 36 ALA H 1.800 . 3.500 2.732 2.631 2.877 . 0 0 "[ . 1 . 2]" 1
553 1 35 MET H 1 37 LEU H 1.800 . 5.000 4.267 4.048 4.530 . 0 0 "[ . 1 . 2]" 1
554 1 36 ALA HA 1 39 ASN QB 1.800 . 5.000 3.058 2.530 3.476 . 0 0 "[ . 1 . 2]" 1
555 1 36 ALA HA 1 39 ASN H 1.800 . 5.000 3.738 3.431 3.882 . 0 0 "[ . 1 . 2]" 1
556 1 36 ALA MB 1 39 ASN QB 1.800 . 5.000 4.352 3.774 4.739 . 0 0 "[ . 1 . 2]" 1
557 1 36 ALA MB 1 39 ASN H 1.800 . 5.000 4.775 4.589 4.900 . 0 0 "[ . 1 . 2]" 1
558 1 37 LEU HA 1 40 CYS QB 1.800 . 5.000 2.714 2.115 4.191 . 0 0 "[ . 1 . 2]" 1
559 1 37 LEU HA 1 40 CYS H 1.800 . 5.000 3.454 3.169 3.740 . 0 0 "[ . 1 . 2]" 1
560 1 37 LEU HA 1 41 VAL H 1.800 . 5.000 4.054 3.480 4.539 . 0 0 "[ . 1 . 2]" 1
561 1 37 LEU QB 1 41 VAL H 1.800 . 5.000 4.722 4.400 5.027 0.027 17 0 "[ . 1 . 2]" 1
562 1 37 LEU MD1 1 40 CYS QB 1.800 . 5.000 3.438 2.713 5.010 0.010 2 0 "[ . 1 . 2]" 1
563 1 37 LEU H 1 38 GLY H 1.800 . 3.500 2.746 2.487 2.911 . 0 0 "[ . 1 . 2]" 1
564 1 37 LEU H 1 39 ASN H 1.800 . 5.000 4.325 3.975 4.499 . 0 0 "[ . 1 . 2]" 1
565 1 37 LEU H 1 40 CYS H 1.800 . 5.000 4.745 4.514 4.951 . 0 0 "[ . 1 . 2]" 1
566 1 38 GLY HA3 1 41 VAL MG2 1.800 . 5.000 4.547 4.030 5.010 0.010 13 0 "[ . 1 . 2]" 1
567 1 38 GLY HA2 1 41 VAL MG2 1.800 . 5.000 3.133 2.581 3.706 . 0 0 "[ . 1 . 2]" 1
568 1 38 GLY QA 1 40 CYS H 1.800 . 5.000 4.011 3.785 4.381 . 0 0 "[ . 1 . 2]" 1
569 1 38 GLY QA 1 41 VAL HB 1.800 . 5.000 3.155 2.620 3.515 . 0 0 "[ . 1 . 2]" 1
570 1 38 GLY QA 1 41 VAL MG2 1.800 . 5.000 3.078 2.553 3.614 . 0 0 "[ . 1 . 2]" 1
571 1 38 GLY QA 1 41 VAL H 1.800 . 5.000 3.574 3.305 4.079 . 0 0 "[ . 1 . 2]" 1
572 1 38 GLY H 1 39 ASN QB 1.800 . 5.000 4.697 4.440 4.793 . 0 0 "[ . 1 . 2]" 1
573 1 38 GLY H 1 39 ASN H 1.800 . 3.500 2.798 2.707 2.879 . 0 0 "[ . 1 . 2]" 1
574 1 38 GLY H 1 40 CYS H 1.800 . 5.000 4.104 3.726 4.478 . 0 0 "[ . 1 . 2]" 1
575 1 38 GLY H 1 41 VAL H 1.800 . 5.000 4.850 4.657 5.001 0.001 18 0 "[ . 1 . 2]" 1
576 1 39 ASN HA 1 42 THR HB 1.800 . 5.000 3.251 2.570 4.687 . 0 0 "[ . 1 . 2]" 1
577 1 39 ASN HA 1 42 THR MG 1.800 . 5.000 4.300 3.924 4.864 . 0 0 "[ . 1 . 2]" 1
578 1 39 ASN HA 1 42 THR H 1.800 . 5.000 3.516 3.115 3.725 . 0 0 "[ . 1 . 2]" 1
579 1 39 ASN HA 1 43 HIS H 1.800 . 5.000 3.941 3.677 4.136 . 0 0 "[ . 1 . 2]" 1
580 1 39 ASN QB 1 42 THR H 1.800 . 5.000 4.983 4.768 5.016 0.016 10 0 "[ . 1 . 2]" 1
581 1 39 ASN QB 1 43 HIS QB 1.800 . 5.000 3.852 3.494 4.343 . 0 0 "[ . 1 . 2]" 1
582 1 39 ASN H 1 40 CYS QB 1.800 . 5.000 4.538 4.288 4.874 . 0 0 "[ . 1 . 2]" 1
583 1 39 ASN H 1 40 CYS H 1.800 . 3.500 2.587 2.301 2.790 . 0 0 "[ . 1 . 2]" 1
584 1 39 ASN H 1 41 VAL H 1.800 . 5.000 4.254 3.911 4.498 . 0 0 "[ . 1 . 2]" 1
585 1 40 CYS HA 1 42 THR H 1.800 . 5.000 4.563 4.426 4.741 . 0 0 "[ . 1 . 2]" 1
586 1 40 CYS HA 1 43 HIS QB 1.800 . 5.000 2.549 1.798 3.291 0.002 16 0 "[ . 1 . 2]" 1
587 1 40 CYS HA 1 43 HIS HD2 1.800 . 5.000 4.831 3.713 5.021 0.021 16 0 "[ . 1 . 2]" 1
588 1 40 CYS HA 1 43 HIS H 1.800 . 5.000 3.454 3.264 3.716 . 0 0 "[ . 1 . 2]" 1
589 1 40 CYS QB 1 43 HIS QB 1.800 . 5.000 4.275 3.707 5.024 0.024 10 0 "[ . 1 . 2]" 1
590 1 40 CYS H 1 41 VAL HB 1.800 . 5.000 4.918 4.834 5.003 0.003 2 0 "[ . 1 . 2]" 1
591 1 40 CYS H 1 41 VAL MG2 1.800 . 5.000 4.077 3.767 4.279 . 0 0 "[ . 1 . 2]" 1
592 1 40 CYS H 1 41 VAL H 1.800 . 3.500 2.698 2.523 2.844 . 0 0 "[ . 1 . 2]" 1
593 1 40 CYS H 1 42 THR H 1.800 . 5.000 4.217 4.036 4.402 . 0 0 "[ . 1 . 2]" 1
594 1 41 VAL HA 1 44 LEU HB3 1.800 . 5.000 4.757 4.388 5.001 0.001 16 0 "[ . 1 . 2]" 1
595 1 41 VAL HA 1 44 LEU HB2 1.800 . 5.000 3.281 2.840 5.012 0.012 10 0 "[ . 1 . 2]" 1
596 1 41 VAL HA 1 44 LEU MD1 1.800 . 5.000 2.559 2.125 3.121 . 0 0 "[ . 1 . 2]" 1
597 1 41 VAL HA 1 44 LEU HG 1.800 . 5.000 3.537 2.329 4.707 . 0 0 "[ . 1 . 2]" 1
598 1 41 VAL HA 1 44 LEU H 1.800 . 5.000 3.620 3.404 4.025 . 0 0 "[ . 1 . 2]" 1
599 1 41 VAL HA 1 45 LEU H 1.800 . 5.000 4.551 4.116 5.010 0.010 17 0 "[ . 1 . 2]" 1
600 1 41 VAL MG1 1 42 THR HA 1.800 . 5.000 3.399 3.123 3.605 . 0 0 "[ . 1 . 2]" 1
601 1 41 VAL MG1 1 42 THR MG 1.800 . 5.000 4.446 3.437 5.002 0.002 8 0 "[ . 1 . 2]" 1
602 1 41 VAL MG1 1 45 LEU QB 1.800 . 5.000 4.340 3.095 5.005 0.005 19 0 "[ . 1 . 2]" 1
603 1 41 VAL MG1 1 45 LEU MD1 1.800 . 5.000 2.926 2.577 3.372 . 0 0 "[ . 1 . 2]" 1
604 1 41 VAL MG1 1 45 LEU MD2 1.800 . 5.000 4.095 3.576 5.004 0.004 13 0 "[ . 1 . 2]" 1
605 1 41 VAL MG1 1 45 LEU HG 1.800 . 5.000 3.589 2.838 5.004 0.004 13 0 "[ . 1 . 2]" 1
606 1 41 VAL MG1 1 45 LEU H 1.800 . 5.000 4.352 3.939 4.702 . 0 0 "[ . 1 . 2]" 1
607 1 41 VAL MG1 1 61 PHE QD 1.800 . 5.000 3.330 2.898 3.695 . 0 0 "[ . 1 . 2]" 1
608 1 41 VAL MG1 1 61 PHE QE 1.800 . 5.000 2.753 2.284 3.168 . 0 0 "[ . 1 . 2]" 1
609 1 41 VAL MG1 1 61 PHE HZ 1.800 . 5.000 3.225 2.753 3.538 . 0 0 "[ . 1 . 2]" 1
610 1 41 VAL MG1 1 65 LEU MD1 1.800 . 5.000 4.981 4.709 5.010 0.010 16 0 "[ . 1 . 2]" 1
611 1 41 VAL MG1 1 65 LEU MD2 1.800 . 5.000 4.938 4.682 5.010 0.010 11 0 "[ . 1 . 2]" 1
612 1 41 VAL MG2 1 61 PHE QE 1.800 . 5.000 3.192 2.679 3.618 . 0 0 "[ . 1 . 2]" 1
613 1 41 VAL MG2 1 61 PHE HZ 1.800 . 5.000 2.945 2.455 3.589 . 0 0 "[ . 1 . 2]" 1
614 1 41 VAL H 1 42 THR H 1.800 . 3.500 2.754 2.614 2.969 . 0 0 "[ . 1 . 2]" 1
615 1 41 VAL H 1 43 HIS H 1.800 . 5.000 4.017 3.715 4.219 . 0 0 "[ . 1 . 2]" 1
616 1 42 THR HA 1 45 LEU QB 1.800 . 5.000 2.774 2.075 5.006 0.006 14 0 "[ . 1 . 2]" 1
617 1 42 THR HA 1 45 LEU MD1 1.800 . 5.000 2.374 1.800 3.368 0.000 2 0 "[ . 1 . 2]" 1
618 1 42 THR HA 1 45 LEU H 1.800 . 5.000 3.353 2.975 3.759 . 0 0 "[ . 1 . 2]" 1
619 1 42 THR HA 1 46 GLU H 1.800 . 5.000 4.319 3.751 5.006 0.006 19 0 "[ . 1 . 2]" 1
620 1 42 THR MG 1 46 GLU QG 1.800 . 5.000 3.798 2.425 5.003 0.003 11 0 "[ . 1 . 2]" 1
621 1 42 THR MG 1 46 GLU H 1.800 . 5.000 4.327 3.691 5.007 0.007 3 0 "[ . 1 . 2]" 1
622 1 43 HIS HA 1 46 GLU H 1.800 . 5.000 3.449 2.969 4.047 . 0 0 "[ . 1 . 2]" 1
623 1 43 HIS HA 1 47 ARG H 1.800 . 5.000 4.551 3.818 5.009 0.009 19 0 "[ . 1 . 2]" 1
624 1 43 HIS QB 1 44 LEU HG 1.800 . 5.000 3.788 3.341 5.001 0.001 10 0 "[ . 1 . 2]" 1
625 1 43 HIS HD2 1 44 LEU HA 1.800 . 5.000 4.254 3.094 5.004 0.004 11 0 "[ . 1 . 2]" 1
626 1 43 HIS HD2 1 44 LEU HG 1.800 . 5.000 4.721 4.001 5.017 0.017 1 0 "[ . 1 . 2]" 1
627 1 43 HIS H 1 44 LEU H 1.800 . 3.500 2.633 2.501 2.963 . 0 0 "[ . 1 . 2]" 1
628 1 44 LEU HA 1 47 ARG QB 1.800 . 5.000 3.077 2.114 4.497 . 0 0 "[ . 1 . 2]" 1
629 1 44 LEU HA 1 47 ARG H 1.800 . 5.000 3.464 2.865 3.831 . 0 0 "[ . 1 . 2]" 1
630 1 44 LEU HA 1 48 LYS H 1.800 . 5.000 3.785 3.202 4.880 . 0 0 "[ . 1 . 2]" 1
631 1 44 LEU H 1 45 LEU H 1.800 . 3.500 2.515 2.274 2.857 . 0 0 "[ . 1 . 2]" 1
632 1 45 LEU HA 1 48 LYS H 1.800 . 5.000 3.989 3.211 4.477 . 0 0 "[ . 1 . 2]" 1
633 1 45 LEU HA 1 49 VAL MG2 1.800 . 5.000 2.279 2.000 2.791 . 0 0 "[ . 1 . 2]" 1
634 1 45 LEU HA 1 49 VAL H 1.800 . 5.000 3.492 3.025 4.041 . 0 0 "[ . 1 . 2]" 1
635 1 45 LEU HA 1 54 ARG QG 1.800 . 5.000 3.728 3.278 4.783 . 0 0 "[ . 1 . 2]" 1
636 1 45 LEU MD1 1 57 VAL HB 1.800 . 5.000 3.632 2.870 4.208 . 0 0 "[ . 1 . 2]" 1
637 1 45 LEU MD1 1 57 VAL MG1 1.800 . 5.000 3.354 2.290 4.420 . 0 0 "[ . 1 . 2]" 1
638 1 45 LEU MD1 1 58 ALA MB 1.800 . 5.000 2.454 1.798 3.735 0.002 2 0 "[ . 1 . 2]" 1
639 1 45 LEU MD2 1 49 VAL HB 1.800 . 5.000 2.943 1.873 3.608 . 0 0 "[ . 1 . 2]" 1
640 1 45 LEU MD2 1 49 VAL MG1 1.800 . 5.000 2.857 2.133 4.021 . 0 0 "[ . 1 . 2]" 1
641 1 45 LEU MD2 1 49 VAL MG2 1.800 . 5.000 2.302 1.797 4.048 0.003 5 0 "[ . 1 . 2]" 1
642 1 45 LEU MD2 1 49 VAL H 1.800 . 5.000 4.615 3.563 5.001 0.001 19 0 "[ . 1 . 2]" 1
643 1 45 LEU MD2 1 54 ARG HA 1.800 . 5.000 2.505 1.991 2.729 . 0 0 "[ . 1 . 2]" 1
644 1 45 LEU MD2 1 54 ARG QB 1.800 . 5.000 3.544 2.294 4.228 . 0 0 "[ . 1 . 2]" 1
645 1 45 LEU MD2 1 54 ARG QD 1.800 . 5.000 4.270 3.017 5.007 0.007 18 0 "[ . 1 . 2]" 1
646 1 45 LEU MD2 1 54 ARG QG 1.800 . 5.000 2.862 1.800 3.642 . 0 0 "[ . 1 . 2]" 1
647 1 45 LEU MD2 1 54 ARG H 1.800 . 5.000 4.875 4.244 5.010 0.010 14 0 "[ . 1 . 2]" 1
648 1 45 LEU MD2 1 57 VAL HB 1.800 . 5.000 2.473 1.795 4.828 0.005 15 0 "[ . 1 . 2]" 1
649 1 45 LEU MD2 1 57 VAL MG1 1.800 . 5.000 2.418 2.024 4.475 . 0 0 "[ . 1 . 2]" 1
650 1 45 LEU MD2 1 58 ALA MB 1.800 . 5.000 3.476 2.420 4.396 . 0 0 "[ . 1 . 2]" 1
651 1 45 LEU MD2 1 58 ALA H 1.800 . 5.000 3.548 2.878 4.289 . 0 0 "[ . 1 . 2]" 1
652 1 45 LEU H 1 46 GLU H 1.800 . 3.500 2.672 2.476 2.889 . 0 0 "[ . 1 . 2]" 1
653 1 46 GLU HA 1 49 VAL H 1.800 . 5.000 4.462 4.114 4.875 . 0 0 "[ . 1 . 2]" 1
654 1 46 GLU HA 1 54 ARG HD3 1.800 . 5.000 2.729 1.812 3.759 . 0 0 "[ . 1 . 2]" 1
655 1 46 GLU HA 1 54 ARG HD2 1.800 . 5.000 3.984 3.467 4.704 . 0 0 "[ . 1 . 2]" 1
656 1 46 GLU HA 1 54 ARG HE 1.800 . 5.000 2.714 1.905 3.420 . 0 0 "[ . 1 . 2]" 1
657 1 46 GLU QG 1 54 ARG QD 1.800 . 5.000 3.330 1.867 4.469 . 0 0 "[ . 1 . 2]" 1
658 1 46 GLU QG 1 54 ARG HE 1.800 . 5.000 4.465 3.359 5.007 0.007 2 0 "[ . 1 . 2]" 1
659 1 46 GLU QG 1 54 ARG QG 1.800 . 5.000 4.684 3.545 5.020 0.020 18 0 "[ . 1 . 2]" 1
660 1 46 GLU H 1 47 ARG H 1.800 . 3.500 2.608 2.394 2.976 . 0 0 "[ . 1 . 2]" 1
661 1 47 ARG HA 1 49 VAL H 1.800 . 5.000 4.508 4.172 5.004 0.004 1 0 "[ . 1 . 2]" 1
662 1 47 ARG H 1 48 LYS HA 1.800 . 5.000 4.978 4.844 5.019 0.019 13 0 "[ . 1 . 2]" 1
663 1 47 ARG H 1 48 LYS H 1.800 . 3.500 2.378 2.184 2.721 . 0 0 "[ . 1 . 2]" 1
664 1 48 LYS H 1 49 VAL HB 1.800 . 5.000 4.450 4.107 4.649 . 0 0 "[ . 1 . 2]" 1
665 1 48 LYS H 1 49 VAL MG2 1.800 . 5.000 3.452 2.798 3.777 . 0 0 "[ . 1 . 2]" 1
666 1 48 LYS H 1 49 VAL H 1.800 . 3.500 2.196 1.858 2.452 . 0 0 "[ . 1 . 2]" 1
667 1 49 VAL HB 1 54 ARG HA 1.800 . 5.000 3.340 2.642 3.823 . 0 0 "[ . 1 . 2]" 1
668 1 49 VAL HB 1 54 ARG QG 1.800 . 5.000 2.697 2.160 3.445 . 0 0 "[ . 1 . 2]" 1
669 1 49 VAL MG1 1 50 PRO HD3 1.800 . 5.000 3.441 3.031 3.869 . 0 0 "[ . 1 . 2]" 1
670 1 49 VAL MG1 1 50 PRO HD2 1.800 . 5.000 2.194 1.985 2.520 . 0 0 "[ . 1 . 2]" 1
671 1 49 VAL MG1 1 53 SER QB 1.800 . 5.000 2.149 1.873 2.582 . 0 0 "[ . 1 . 2]" 1
672 1 49 VAL MG1 1 53 SER H 1.800 . 5.000 3.559 3.233 3.860 . 0 0 "[ . 1 . 2]" 1
673 1 49 VAL MG1 1 54 ARG HA 1.800 . 5.000 2.325 2.094 2.843 . 0 0 "[ . 1 . 2]" 1
674 1 49 VAL MG1 1 54 ARG QB 1.800 . 5.000 3.383 2.692 4.134 . 0 0 "[ . 1 . 2]" 1
675 1 49 VAL MG1 1 54 ARG QG 1.800 . 5.000 2.902 2.167 3.799 . 0 0 "[ . 1 . 2]" 1
676 1 49 VAL MG1 1 54 ARG H 1.800 . 5.000 2.839 2.595 3.186 . 0 0 "[ . 1 . 2]" 1
677 1 49 VAL MG1 1 57 VAL HB 1.800 . 5.000 3.221 2.666 4.138 . 0 0 "[ . 1 . 2]" 1
678 1 49 VAL MG2 1 50 PRO QD 1.800 . 5.000 3.467 3.319 3.602 . 0 0 "[ . 1 . 2]" 1
679 1 49 VAL MG2 1 54 ARG HA 1.800 . 5.000 3.901 3.630 4.145 . 0 0 "[ . 1 . 2]" 1
680 1 49 VAL H 1 50 PRO QD 1.800 . 5.000 4.232 4.147 4.321 . 0 0 "[ . 1 . 2]" 1
681 1 49 VAL H 1 54 ARG HE 1.800 . 5.000 3.996 3.714 4.421 . 0 0 "[ . 1 . 2]" 1
682 1 50 PRO HA 1 51 SER H 1.800 . 3.500 2.256 2.198 2.328 . 0 0 "[ . 1 . 2]" 1
683 1 50 PRO HA 1 52 GLU H 1.800 . 5.000 4.414 4.037 4.744 . 0 0 "[ . 1 . 2]" 1
684 1 50 PRO HB3 1 52 GLU H 1.800 . 5.000 4.290 3.754 4.843 . 0 0 "[ . 1 . 2]" 1
685 1 50 PRO QB 1 53 SER QB 1.800 . 5.000 3.444 2.600 4.564 . 0 0 "[ . 1 . 2]" 1
686 1 50 PRO HB2 1 52 GLU H 1.800 . 5.000 3.133 2.555 3.753 . 0 0 "[ . 1 . 2]" 1
687 1 50 PRO QB 1 53 SER H 1.800 . 5.000 2.976 2.590 3.385 . 0 0 "[ . 1 . 2]" 1
688 1 50 PRO HD3 1 53 SER QB 1.800 . 5.000 4.345 3.971 4.794 . 0 0 "[ . 1 . 2]" 1
689 1 50 PRO HD2 1 53 SER QB 1.800 . 5.000 2.869 2.387 3.224 . 0 0 "[ . 1 . 2]" 1
690 1 50 PRO QG 1 53 SER QB 1.800 . 5.000 2.815 1.798 3.983 0.002 16 0 "[ . 1 . 2]" 1
691 1 51 SER HA 1 53 SER H 1.800 . 5.000 4.367 4.005 4.925 . 0 0 "[ . 1 . 2]" 1
692 1 51 SER HA 1 54 ARG QD 1.800 . 5.000 2.362 1.806 2.873 . 0 0 "[ . 1 . 2]" 1
693 1 51 SER HA 1 54 ARG HE 1.800 . 5.000 3.137 2.693 3.558 . 0 0 "[ . 1 . 2]" 1
694 1 51 SER HA 1 54 ARG QH 1.800 . 5.000 2.973 2.756 3.316 . 0 0 "[ . 1 . 2]" 1
695 1 51 SER HA 1 54 ARG H 1.800 . 5.000 3.471 3.107 3.818 . 0 0 "[ . 1 . 2]" 1
696 1 51 SER QB 1 53 SER H 1.800 . 5.000 4.740 4.274 5.019 0.019 15 0 "[ . 1 . 2]" 1
697 1 51 SER QB 1 54 ARG QB 1.800 . 5.000 4.160 3.576 4.834 . 0 0 "[ . 1 . 2]" 1
698 1 51 SER QB 1 54 ARG HE 1.800 . 5.000 4.791 3.988 5.008 0.008 7 0 "[ . 1 . 2]" 1
699 1 51 SER QB 1 54 ARG H 1.800 . 5.000 4.762 4.558 5.003 0.003 13 0 "[ . 1 . 2]" 1
700 1 51 SER H 1 52 GLU H 1.800 . 3.500 2.895 2.747 3.049 . 0 0 "[ . 1 . 2]" 1
701 1 51 SER H 1 53 SER H 1.800 . 5.000 4.370 4.010 4.825 . 0 0 "[ . 1 . 2]" 1
702 1 51 SER H 1 54 ARG QD 1.800 . 5.000 4.712 4.102 5.010 0.010 15 0 "[ . 1 . 2]" 1
703 1 51 SER H 1 54 ARG HE 1.800 . 5.000 4.222 3.724 4.469 . 0 0 "[ . 1 . 2]" 1
704 1 51 SER H 1 54 ARG QH 1.800 . 5.000 3.465 2.888 4.205 . 0 0 "[ . 1 . 2]" 1
705 1 52 GLU HA 1 54 ARG H 1.800 . 5.000 4.171 3.949 4.422 . 0 0 "[ . 1 . 2]" 1
706 1 52 GLU HA 1 55 GLN H 1.800 . 5.000 4.322 3.720 4.950 . 0 0 "[ . 1 . 2]" 1
707 1 52 GLU H 1 53 SER H 1.800 . 3.500 2.675 2.465 2.909 . 0 0 "[ . 1 . 2]" 1
708 1 52 GLU H 1 54 ARG H 1.800 . 5.000 3.910 3.618 4.128 . 0 0 "[ . 1 . 2]" 1
709 1 53 SER HA 1 56 ALA MB 1.800 . 5.000 2.615 2.260 2.975 . 0 0 "[ . 1 . 2]" 1
710 1 53 SER HA 1 56 ALA H 1.800 . 5.000 3.160 2.896 3.418 . 0 0 "[ . 1 . 2]" 1
711 1 53 SER HA 1 57 VAL MG2 1.800 . 5.000 3.903 3.261 4.658 . 0 0 "[ . 1 . 2]" 1
712 1 53 SER HA 1 57 VAL H 1.800 . 5.000 3.967 3.589 4.414 . 0 0 "[ . 1 . 2]" 1
713 1 53 SER QB 1 56 ALA MB 1.800 . 5.000 3.590 3.072 4.284 . 0 0 "[ . 1 . 2]" 1
714 1 53 SER QB 1 57 VAL MG2 1.800 . 5.000 2.958 2.138 3.695 . 0 0 "[ . 1 . 2]" 1
715 1 53 SER QB 1 57 VAL H 1.800 . 5.000 4.195 3.641 4.959 . 0 0 "[ . 1 . 2]" 1
716 1 53 SER H 1 54 ARG QB 1.800 . 5.000 4.271 3.778 4.637 . 0 0 "[ . 1 . 2]" 1
717 1 53 SER H 1 54 ARG H 1.800 . 2.900 2.328 2.136 2.530 . 0 0 "[ . 1 . 2]" 1
718 1 53 SER H 1 55 GLN H 1.800 . 5.000 4.426 4.164 4.736 . 0 0 "[ . 1 . 2]" 1
719 1 54 ARG HA 1 56 ALA H 1.800 . 5.000 4.513 4.236 4.764 . 0 0 "[ . 1 . 2]" 1
720 1 54 ARG HA 1 57 VAL MG1 1.800 . 5.000 4.390 3.902 4.842 . 0 0 "[ . 1 . 2]" 1
721 1 54 ARG HA 1 57 VAL MG2 1.800 . 5.000 3.378 2.223 3.871 . 0 0 "[ . 1 . 2]" 1
722 1 54 ARG HA 1 57 VAL H 1.800 . 5.000 3.746 3.446 4.149 . 0 0 "[ . 1 . 2]" 1
723 1 54 ARG HA 1 58 ALA H 1.800 . 5.000 4.080 3.808 4.413 . 0 0 "[ . 1 . 2]" 1
724 1 54 ARG H 1 55 GLN H 1.800 . 3.500 2.765 2.642 2.921 . 0 0 "[ . 1 . 2]" 1
725 1 54 ARG H 1 56 ALA H 1.800 . 5.000 4.188 3.925 4.502 . 0 0 "[ . 1 . 2]" 1
726 1 55 GLN HA 1 58 ALA MB 1.800 . 5.000 2.676 2.304 3.240 . 0 0 "[ . 1 . 2]" 1
727 1 55 GLN HA 1 58 ALA H 1.800 . 5.000 3.610 3.402 4.099 . 0 0 "[ . 1 . 2]" 1
728 1 55 GLN QG 1 58 ALA MB 1.800 . 5.000 4.147 3.453 4.895 . 0 0 "[ . 1 . 2]" 1
729 1 55 GLN H 1 56 ALA MB 1.800 . 5.000 4.284 4.127 4.424 . 0 0 "[ . 1 . 2]" 1
730 1 55 GLN H 1 56 ALA H 1.800 . 3.500 2.602 2.434 2.785 . 0 0 "[ . 1 . 2]" 1
731 1 55 GLN H 1 57 VAL H 1.800 . 5.000 4.228 4.044 4.412 . 0 0 "[ . 1 . 2]" 1
732 1 56 ALA HA 1 58 ALA H 1.800 . 5.000 4.442 4.215 4.643 . 0 0 "[ . 1 . 2]" 1
733 1 56 ALA HA 1 59 GLU QB 1.800 . 5.000 2.866 2.391 3.390 . 0 0 "[ . 1 . 2]" 1
734 1 56 ALA HA 1 59 GLU H 1.800 . 5.000 3.542 3.023 3.801 . 0 0 "[ . 1 . 2]" 1
735 1 56 ALA HA 1 60 GLN H 1.800 . 5.000 4.176 3.837 4.469 . 0 0 "[ . 1 . 2]" 1
736 1 56 ALA MB 1 57 VAL MG2 1.800 . 5.000 3.130 2.934 3.857 . 0 0 "[ . 1 . 2]" 1
737 1 56 ALA MB 1 59 GLU QB 1.800 . 5.000 4.069 3.407 4.567 . 0 0 "[ . 1 . 2]" 1
738 1 56 ALA MB 1 59 GLU QG 1.800 . 5.000 4.799 4.048 5.012 0.012 19 0 "[ . 1 . 2]" 1
739 1 56 ALA MB 1 60 GLN QB 1.800 . 5.000 4.766 4.164 5.004 0.004 19 0 "[ . 1 . 2]" 1
740 1 56 ALA MB 1 60 GLN QE 1.800 . 5.000 3.911 2.461 5.003 0.003 20 0 "[ . 1 . 2]" 1
741 1 56 ALA H 1 57 VAL H 1.800 . 3.500 2.692 2.451 2.878 . 0 0 "[ . 1 . 2]" 1
742 1 57 VAL HA 1 59 GLU H 1.800 . 5.000 4.428 4.170 4.619 . 0 0 "[ . 1 . 2]" 1
743 1 57 VAL HA 1 60 GLN QB 1.800 . 5.000 2.798 2.297 4.172 . 0 0 "[ . 1 . 2]" 1
744 1 57 VAL HA 1 60 GLN QG 1.800 . 5.000 3.373 1.870 4.169 . 0 0 "[ . 1 . 2]" 1
745 1 57 VAL HA 1 60 GLN H 1.800 . 5.000 3.417 3.106 3.698 . 0 0 "[ . 1 . 2]" 1
746 1 57 VAL HA 1 61 PHE H 1.800 . 5.000 3.782 3.421 3.960 . 0 0 "[ . 1 . 2]" 1
747 1 57 VAL MG1 1 58 ALA MB 1.800 . 5.000 4.219 3.898 5.030 0.030 10 0 "[ . 1 . 2]" 1
748 1 57 VAL MG1 1 60 GLN QB 1.800 . 5.000 3.784 3.259 4.990 . 0 0 "[ . 1 . 2]" 1
749 1 57 VAL MG1 1 61 PHE H 1.800 . 5.000 3.788 3.449 5.011 0.011 10 0 "[ . 1 . 2]" 1
750 1 57 VAL H 1 58 ALA H 1.800 . 3.500 2.658 2.501 2.791 . 0 0 "[ . 1 . 2]" 1
751 1 57 VAL H 1 59 GLU H 1.800 . 5.000 4.216 3.913 4.459 . 0 0 "[ . 1 . 2]" 1
752 1 58 ALA HA 1 61 PHE QB 1.800 . 5.000 2.634 2.220 2.932 . 0 0 "[ . 1 . 2]" 1
753 1 58 ALA HA 1 61 PHE H 1.800 . 5.000 3.599 3.260 3.915 . 0 0 "[ . 1 . 2]" 1
754 1 58 ALA HA 1 62 ALA H 1.800 . 5.000 3.938 3.598 4.236 . 0 0 "[ . 1 . 2]" 1
755 1 58 ALA MB 1 60 GLN H 1.800 . 5.000 4.595 4.456 4.706 . 0 0 "[ . 1 . 2]" 1
756 1 58 ALA MB 1 61 PHE QB 1.800 . 5.000 3.990 3.563 4.273 . 0 0 "[ . 1 . 2]" 1
757 1 58 ALA MB 1 62 ALA MB 1.800 . 5.000 4.108 3.700 4.436 . 0 0 "[ . 1 . 2]" 1
758 1 58 ALA MB 1 62 ALA H 1.800 . 5.000 4.558 4.367 4.778 . 0 0 "[ . 1 . 2]" 1
759 1 58 ALA H 1 59 GLU QB 1.800 . 5.000 4.573 4.190 4.917 . 0 0 "[ . 1 . 2]" 1
760 1 58 ALA H 1 59 GLU H 1.800 . 3.500 2.729 2.550 2.857 . 0 0 "[ . 1 . 2]" 1
761 1 59 GLU HA 1 62 ALA MB 1.800 . 5.000 2.853 2.477 3.234 . 0 0 "[ . 1 . 2]" 1
762 1 59 GLU HA 1 62 ALA H 1.800 . 5.000 3.680 3.357 4.136 . 0 0 "[ . 1 . 2]" 1
763 1 59 GLU HA 1 63 LYS H 1.800 . 5.000 4.216 3.890 4.544 . 0 0 "[ . 1 . 2]" 1
764 1 59 GLU QB 1 62 ALA MB 1.800 . 5.000 4.415 3.977 4.886 . 0 0 "[ . 1 . 2]" 1
765 1 59 GLU QB 1 63 LYS QE 1.800 . 5.000 3.815 1.794 5.011 0.011 11 0 "[ . 1 . 2]" 1
766 1 59 GLU QG 1 62 ALA MB 1.800 . 5.000 4.466 3.479 5.010 0.010 20 0 "[ . 1 . 2]" 1
767 1 59 GLU H 1 60 GLN H 1.800 . 3.500 2.738 2.644 2.894 . 0 0 "[ . 1 . 2]" 1
768 1 59 GLU H 1 61 PHE H 1.800 . 5.000 4.124 3.879 4.416 . 0 0 "[ . 1 . 2]" 1
769 1 60 GLN HA 1 62 ALA H 1.800 . 5.000 4.468 4.074 4.692 . 0 0 "[ . 1 . 2]" 1
770 1 60 GLN HA 1 63 LYS QD 1.800 . 5.000 3.313 2.172 5.023 0.023 10 0 "[ . 1 . 2]" 1
771 1 60 GLN HA 1 63 LYS H 1.800 . 5.000 3.440 3.010 3.786 . 0 0 "[ . 1 . 2]" 1
772 1 60 GLN HA 1 64 ALA H 1.800 . 5.000 4.000 3.795 4.208 . 0 0 "[ . 1 . 2]" 1
773 1 60 GLN QB 1 62 ALA H 1.800 . 5.000 4.794 4.620 5.014 0.014 5 0 "[ . 1 . 2]" 1
774 1 60 GLN QB 1 63 LYS H 1.800 . 5.000 4.854 4.533 5.010 0.010 18 0 "[ . 1 . 2]" 1
775 1 60 GLN H 1 61 PHE QB 1.800 . 5.000 4.384 4.205 4.560 . 0 0 "[ . 1 . 2]" 1
776 1 60 GLN H 1 62 ALA H 1.800 . 5.000 4.183 3.958 4.354 . 0 0 "[ . 1 . 2]" 1
777 1 61 PHE HA 1 64 ALA MB 1.800 . 5.000 2.648 2.351 2.878 . 0 0 "[ . 1 . 2]" 1
778 1 61 PHE HA 1 64 ALA H 1.800 . 5.000 3.478 3.356 3.640 . 0 0 "[ . 1 . 2]" 1
779 1 61 PHE HA 1 65 LEU H 1.800 . 5.000 3.965 3.678 4.500 . 0 0 "[ . 1 . 2]" 1
780 1 61 PHE QD 1 65 LEU QB 1.800 . 5.000 3.945 3.419 5.010 0.010 7 0 "[ . 1 . 2]" 1
781 1 61 PHE QD 1 65 LEU MD1 1.800 . 5.000 3.967 2.738 4.578 . 0 0 "[ . 1 . 2]" 1
782 1 61 PHE QE 1 64 ALA MB 1.800 . 5.000 4.993 4.881 5.010 0.010 7 0 "[ . 1 . 2]" 1
783 1 61 PHE QE 1 65 LEU MD1 1.800 . 5.000 2.969 1.987 3.431 . 0 0 "[ . 1 . 2]" 1
784 1 61 PHE H 1 62 ALA MB 1.800 . 5.000 4.339 4.243 4.449 . 0 0 "[ . 1 . 2]" 1
785 1 61 PHE H 1 62 ALA H 1.800 . 3.500 2.691 2.589 2.814 . 0 0 "[ . 1 . 2]" 1
786 1 61 PHE H 1 64 ALA H 1.800 . 5.000 4.674 4.557 4.848 . 0 0 "[ . 1 . 2]" 1
787 1 61 PHE HZ 1 65 LEU MD1 1.800 . 5.000 3.068 2.606 4.009 . 0 0 "[ . 1 . 2]" 1
788 1 62 ALA HA 1 65 LEU QB 1.800 . 5.000 2.772 2.301 3.475 . 0 0 "[ . 1 . 2]" 1
789 1 62 ALA HA 1 65 LEU MD1 1.800 . 5.000 4.474 2.782 5.002 0.002 8 0 "[ . 1 . 2]" 1
790 1 62 ALA HA 1 65 LEU MD2 1.800 . 5.000 3.442 2.916 3.983 . 0 0 "[ . 1 . 2]" 1
791 1 62 ALA HA 1 65 LEU H 1.800 . 5.000 3.554 3.324 3.706 . 0 0 "[ . 1 . 2]" 1
792 1 62 ALA HA 1 66 ALA H 1.800 . 5.000 3.994 3.587 4.580 . 0 0 "[ . 1 . 2]" 1
793 1 62 ALA MB 1 65 LEU QB 1.800 . 5.000 4.016 3.543 4.479 . 0 0 "[ . 1 . 2]" 1
794 1 62 ALA MB 1 65 LEU MD2 1.800 . 5.000 4.317 3.590 5.013 0.013 7 0 "[ . 1 . 2]" 1
795 1 62 ALA H 1 63 LYS H 1.800 . 3.500 2.690 2.447 2.823 . 0 0 "[ . 1 . 2]" 1
796 1 62 ALA H 1 64 ALA H 1.800 . 5.000 4.164 3.968 4.352 . 0 0 "[ . 1 . 2]" 1
797 1 63 LYS HA 1 66 ALA MB 1.800 . 5.000 2.865 2.479 3.212 . 0 0 "[ . 1 . 2]" 1
798 1 63 LYS HA 1 66 ALA H 1.800 . 5.000 3.642 3.129 4.004 . 0 0 "[ . 1 . 2]" 1
799 1 63 LYS HA 1 67 GLN H 1.800 . 5.000 3.997 3.749 4.348 . 0 0 "[ . 1 . 2]" 1
800 1 63 LYS H 1 64 ALA MB 1.800 . 5.000 4.326 4.125 4.490 . 0 0 "[ . 1 . 2]" 1
801 1 63 LYS H 1 64 ALA H 1.800 . 3.500 2.654 2.393 2.851 . 0 0 "[ . 1 . 2]" 1
802 1 63 LYS H 1 65 LEU H 1.800 . 5.000 4.107 3.885 4.395 . 0 0 "[ . 1 . 2]" 1
803 1 64 ALA HA 1 67 GLN QB 1.800 . 5.000 2.598 2.095 3.254 . 0 0 "[ . 1 . 2]" 1
804 1 64 ALA HA 1 67 GLN H 1.800 . 5.000 3.537 3.166 3.854 . 0 0 "[ . 1 . 2]" 1
805 1 64 ALA HA 1 68 SER H 1.800 . 5.000 4.076 3.828 4.464 . 0 0 "[ . 1 . 2]" 1
806 1 64 ALA H 1 65 LEU H 1.800 . 3.500 2.657 2.501 2.813 . 0 0 "[ . 1 . 2]" 1
807 1 65 LEU HA 1 68 SER H 1.800 . 5.000 3.576 3.296 3.793 . 0 0 "[ . 1 . 2]" 1
808 1 65 LEU QB 1 68 SER H 1.800 . 5.000 4.917 4.641 5.010 0.010 9 0 "[ . 1 . 2]" 1
809 1 65 LEU MD1 1 69 VAL MG2 1.800 . 5.000 4.068 3.389 5.006 0.006 5 0 "[ . 1 . 2]" 1
810 1 65 LEU H 1 66 ALA H 1.800 . 3.500 2.760 2.619 2.853 . 0 0 "[ . 1 . 2]" 1
811 1 65 LEU H 1 67 GLN H 1.800 . 5.000 4.064 3.857 4.327 . 0 0 "[ . 1 . 2]" 1
812 1 66 ALA HA 1 69 VAL HB 1.800 . 5.000 2.953 2.419 3.373 . 0 0 "[ . 1 . 2]" 1
813 1 66 ALA HA 1 69 VAL MG2 1.800 . 5.000 2.993 2.571 3.611 . 0 0 "[ . 1 . 2]" 1
814 1 66 ALA HA 1 69 VAL H 1.800 . 5.000 3.466 3.272 3.682 . 0 0 "[ . 1 . 2]" 1
815 1 66 ALA HA 1 70 LYS H 1.800 . 5.000 4.165 3.706 4.760 . 0 0 "[ . 1 . 2]" 1
816 1 66 ALA MB 1 69 VAL HB 1.800 . 5.000 4.176 3.807 4.617 . 0 0 "[ . 1 . 2]" 1
817 1 66 ALA MB 1 70 LYS QB 1.800 . 5.000 4.383 3.544 5.008 0.008 7 0 "[ . 1 . 2]" 1
818 1 66 ALA H 1 68 SER H 1.800 . 5.000 4.156 4.005 4.340 . 0 0 "[ . 1 . 2]" 1
819 1 67 GLN HA 1 70 LYS QD 1.800 . 5.000 3.443 2.355 4.458 . 0 0 "[ . 1 . 2]" 1
820 1 67 GLN HA 1 70 LYS H 1.800 . 5.000 3.323 2.834 3.868 . 0 0 "[ . 1 . 2]" 1
821 1 67 GLN H 1 69 VAL H 1.800 . 5.000 4.139 3.885 4.459 . 0 0 "[ . 1 . 2]" 1
822 1 68 SER HA 1 70 LYS H 1.800 . 5.000 4.432 3.830 4.761 . 0 0 "[ . 1 . 2]" 1
823 1 68 SER H 1 69 VAL HB 1.800 . 5.000 4.877 4.685 5.004 0.004 6 0 "[ . 1 . 2]" 1
824 1 68 SER H 1 69 VAL MG2 1.800 . 5.000 4.040 3.842 4.236 . 0 0 "[ . 1 . 2]" 1
825 1 68 SER H 1 69 VAL H 1.800 . 3.500 2.629 2.512 2.727 . 0 0 "[ . 1 . 2]" 1
826 1 68 SER H 1 70 LYS H 1.800 . 5.000 4.059 3.736 4.342 . 0 0 "[ . 1 . 2]" 1
827 1 69 VAL HA 1 72 ASN QB 1.800 . 5.000 3.300 2.041 4.922 . 0 0 "[ . 1 . 2]" 1
828 1 69 VAL HA 1 72 ASN QD 1.800 . 5.000 4.211 2.886 5.007 0.007 14 0 "[ . 1 . 2]" 1
829 1 69 VAL H 1 70 LYS QB 1.800 . 5.000 4.478 4.090 5.010 0.010 10 0 "[ . 1 . 2]" 1
830 1 69 VAL H 1 71 SER H 1.800 . 5.000 4.061 3.769 4.271 . 0 0 "[ . 1 . 2]" 1
831 1 70 LYS HA 1 73 LEU QB 1.800 . 5.000 3.542 2.778 5.004 0.004 10 0 "[ . 1 . 2]" 1
832 1 70 LYS HA 1 73 LEU MD1 1.800 . 5.000 3.621 1.813 5.008 0.008 14 0 "[ . 1 . 2]" 1
833 1 71 SER HA 1 74 GLU QB 1.800 . 5.000 3.615 1.799 4.971 0.001 19 0 "[ . 1 . 2]" 1
834 1 71 SER H 1 72 ASN QB 1.800 . 5.000 4.399 4.028 4.877 . 0 0 "[ . 1 . 2]" 1
835 1 72 ASN H 1 73 LEU QB 1.800 . 5.000 4.440 3.940 5.007 0.007 10 0 "[ . 1 . 2]" 1
836 2 5 SER HA 2 7 TYR H 1.800 . 5.000 4.038 3.206 5.016 0.016 7 0 "[ . 1 . 2]" 1
837 2 5 SER QB 2 7 TYR H 1.800 . 5.000 3.834 2.331 4.845 . 0 0 "[ . 1 . 2]" 1
838 2 6 LYS QB 2 7 TYR QD 1.800 . 5.000 3.572 2.610 4.796 . 0 0 "[ . 1 . 2]" 1
839 2 6 LYS QB 2 7 TYR QE 1.800 . 5.000 4.215 3.414 5.027 0.027 13 0 "[ . 1 . 2]" 1
840 2 6 LYS QD 2 7 TYR QD 1.800 . 5.000 4.163 3.123 5.006 0.006 9 0 "[ . 1 . 2]" 1
841 2 6 LYS QE 2 7 TYR QD 1.800 . 5.000 4.097 2.383 5.003 0.003 12 0 "[ . 1 . 2]" 1
842 2 7 TYR HB3 2 12 VAL MG2 1.800 . 5.000 2.955 2.258 4.874 . 0 0 "[ . 1 . 2]" 1
843 2 7 TYR HB2 2 12 VAL MG2 1.800 . 5.000 3.157 2.188 4.712 . 0 0 "[ . 1 . 2]" 1
844 2 7 TYR QB 2 11 GLN QB 1.800 . 5.000 3.581 2.541 4.898 . 0 0 "[ . 1 . 2]" 1
845 2 7 TYR QD 2 11 GLN QB 1.800 . 5.000 4.671 3.954 5.010 0.010 17 0 "[ . 1 . 2]" 1
846 2 7 TYR QD 2 12 VAL MG2 1.800 . 5.000 3.450 2.263 3.883 . 0 0 "[ . 1 . 2]" 1
847 2 7 TYR QE 2 12 VAL MG2 1.800 . 5.000 4.723 3.105 5.012 0.012 8 0 "[ . 1 . 2]" 1
848 2 8 SER HA 2 11 GLN H 1.800 . 5.000 4.400 4.158 4.876 . 0 0 "[ . 1 . 2]" 1
849 2 8 SER HA 2 9 ASN H 1.800 . 3.500 2.228 2.134 2.419 . 0 0 "[ . 1 . 2]" 1
850 2 8 SER QB 2 10 THR H 1.800 . 5.000 3.490 2.890 4.201 . 0 0 "[ . 1 . 2]" 1
851 2 8 SER QB 2 11 GLN H 1.800 . 5.000 2.603 2.184 3.307 . 0 0 "[ . 1 . 2]" 1
852 2 8 SER H 2 11 GLN QB 1.800 . 5.000 2.971 2.231 3.641 . 0 0 "[ . 1 . 2]" 1
853 2 8 SER H 2 11 GLN QG 1.800 . 5.000 4.278 3.356 5.004 0.004 9 0 "[ . 1 . 2]" 1
854 2 8 SER H 2 11 GLN H 1.800 . 5.000 4.285 3.715 4.888 . 0 0 "[ . 1 . 2]" 1
855 2 8 SER H 2 12 VAL MG2 1.800 . 5.000 3.784 2.433 4.827 . 0 0 "[ . 1 . 2]" 1
856 2 9 ASN HA 2 11 GLN H 1.800 . 5.000 4.233 3.889 4.458 . 0 0 "[ . 1 . 2]" 1
857 2 9 ASN HA 2 12 VAL HB 1.800 . 5.000 3.101 2.310 3.517 . 0 0 "[ . 1 . 2]" 1
858 2 9 ASN HA 2 12 VAL MG1 1.800 . 5.000 4.453 3.718 4.835 . 0 0 "[ . 1 . 2]" 1
859 2 9 ASN HA 2 12 VAL MG2 1.800 . 5.000 3.087 2.288 3.611 . 0 0 "[ . 1 . 2]" 1
860 2 9 ASN HA 2 12 VAL H 1.800 . 5.000 3.521 3.038 3.786 . 0 0 "[ . 1 . 2]" 1
861 2 9 ASN HA 2 13 GLU H 1.800 . 5.000 3.937 3.624 4.290 . 0 0 "[ . 1 . 2]" 1
862 2 9 ASN H 2 10 THR H 1.800 . 3.500 2.703 2.566 2.851 . 0 0 "[ . 1 . 2]" 1
863 2 9 ASN H 2 11 GLN H 1.800 . 5.000 4.133 3.946 4.506 . 0 0 "[ . 1 . 2]" 1
864 2 10 THR HA 2 13 GLU QB 1.800 . 5.000 2.686 2.143 3.582 . 0 0 "[ . 1 . 2]" 1
865 2 10 THR HA 2 13 GLU QG 1.800 . 5.000 4.335 3.811 4.972 . 0 0 "[ . 1 . 2]" 1
866 2 10 THR HA 2 13 GLU H 1.800 . 5.000 3.656 3.329 3.935 . 0 0 "[ . 1 . 2]" 1
867 2 10 THR MG 2 14 SER H 1.800 . 5.000 4.218 3.666 4.989 . 0 0 "[ . 1 . 2]" 1
868 2 10 THR H 2 11 GLN QB 1.800 . 5.000 4.396 4.215 4.658 . 0 0 "[ . 1 . 2]" 1
869 2 10 THR H 2 11 GLN H 1.800 . 3.500 2.643 2.471 2.835 . 0 0 "[ . 1 . 2]" 1
870 2 10 THR H 2 13 GLU H 1.800 . 5.000 4.780 4.577 5.003 0.003 3 0 "[ . 1 . 2]" 1
871 2 11 GLN HA 2 14 SER H 1.800 . 5.000 3.699 3.337 4.030 . 0 0 "[ . 1 . 2]" 1
872 2 11 GLN QG 2 15 LEU MD1 1.800 . 5.000 3.616 2.101 5.000 0.000 5 0 "[ . 1 . 2]" 1
873 2 11 GLN H 2 12 VAL MG2 1.800 . 5.000 3.995 3.731 4.203 . 0 0 "[ . 1 . 2]" 1
874 2 11 GLN H 2 13 GLU H 1.800 . 5.000 4.117 3.874 4.360 . 0 0 "[ . 1 . 2]" 1
875 2 12 VAL HA 2 14 SER H 1.800 . 5.000 4.515 4.188 4.744 . 0 0 "[ . 1 . 2]" 1
876 2 12 VAL HA 2 15 LEU QB 1.800 . 5.000 2.683 2.438 3.294 . 0 0 "[ . 1 . 2]" 1
877 2 12 VAL HA 2 15 LEU MD1 1.800 . 5.000 4.117 2.553 5.012 0.012 16 0 "[ . 1 . 2]" 1
878 2 12 VAL HA 2 15 LEU MD2 1.800 . 5.000 3.468 2.720 5.004 0.004 9 0 "[ . 1 . 2]" 1
879 2 12 VAL HA 2 15 LEU H 1.800 . 5.000 3.545 3.316 3.904 . 0 0 "[ . 1 . 2]" 1
880 2 12 VAL HA 2 16 ILE H 1.800 . 5.000 4.129 3.905 4.575 . 0 0 "[ . 1 . 2]" 1
881 2 12 VAL MG1 2 15 LEU H 1.800 . 5.000 4.697 4.517 4.928 . 0 0 "[ . 1 . 2]" 1
882 2 12 VAL MG1 2 16 ILE MD 1.800 . 5.000 2.316 2.075 2.769 . 0 0 "[ . 1 . 2]" 1
883 2 12 VAL MG1 2 16 ILE QG 1.800 . 5.000 2.700 2.313 3.103 . 0 0 "[ . 1 . 2]" 1
884 2 12 VAL MG1 2 16 ILE H 1.800 . 5.000 3.955 3.725 4.313 . 0 0 "[ . 1 . 2]" 1
885 2 12 VAL MG2 2 16 ILE MD 1.800 . 5.000 4.653 4.410 4.963 . 0 0 "[ . 1 . 2]" 1
886 2 12 VAL H 2 13 GLU H 1.800 . 3.500 2.703 2.545 2.930 . 0 0 "[ . 1 . 2]" 1
887 2 12 VAL H 2 14 SER H 1.800 . 5.000 4.203 3.957 4.533 . 0 0 "[ . 1 . 2]" 1
888 2 12 VAL H 2 15 LEU H 1.800 . 5.000 4.757 4.612 4.951 . 0 0 "[ . 1 . 2]" 1
889 2 13 GLU HA 2 16 ILE HB 1.800 . 5.000 2.897 2.222 3.325 . 0 0 "[ . 1 . 2]" 1
890 2 13 GLU HA 2 16 ILE MD 1.800 . 5.000 2.583 1.898 4.444 . 0 0 "[ . 1 . 2]" 1
891 2 13 GLU HA 2 16 ILE H 1.800 . 5.000 3.565 3.062 3.871 . 0 0 "[ . 1 . 2]" 1
892 2 13 GLU HA 2 17 ALA H 1.800 . 5.000 4.102 3.752 4.632 . 0 0 "[ . 1 . 2]" 1
893 2 13 GLU QB 2 15 LEU H 1.800 . 5.000 4.680 4.396 5.002 0.002 4 0 "[ . 1 . 2]" 1
894 2 13 GLU QG 2 16 ILE MG 1.800 . 5.000 4.779 4.207 5.015 0.015 3 0 "[ . 1 . 2]" 1
895 2 13 GLU H 2 14 SER H 1.800 . 3.500 2.740 2.514 2.934 . 0 0 "[ . 1 . 2]" 1
896 2 13 GLU H 2 15 LEU H 1.800 . 5.000 4.131 3.947 4.395 . 0 0 "[ . 1 . 2]" 1
897 2 14 SER HA 2 17 ALA MB 1.800 . 5.000 2.527 2.127 3.074 . 0 0 "[ . 1 . 2]" 1
898 2 14 SER HA 2 17 ALA H 1.800 . 5.000 3.418 3.022 3.806 . 0 0 "[ . 1 . 2]" 1
899 2 14 SER HA 2 18 GLU H 1.800 . 5.000 4.130 3.868 4.412 . 0 0 "[ . 1 . 2]" 1
900 2 14 SER QB 2 17 ALA MB 1.800 . 5.000 4.033 3.393 4.739 . 0 0 "[ . 1 . 2]" 1
901 2 14 SER H 2 15 LEU H 1.800 . 3.500 2.634 2.434 2.837 . 0 0 "[ . 1 . 2]" 1
902 2 14 SER H 2 17 ALA MB 1.800 . 5.000 4.626 4.404 4.944 . 0 0 "[ . 1 . 2]" 1
903 2 15 LEU HA 2 17 ALA H 1.800 . 5.000 4.447 4.299 4.600 . 0 0 "[ . 1 . 2]" 1
904 2 15 LEU HA 2 18 GLU QB 1.800 . 5.000 3.003 2.345 4.258 . 0 0 "[ . 1 . 2]" 1
905 2 15 LEU HA 2 18 GLU H 1.800 . 5.000 3.469 3.071 3.820 . 0 0 "[ . 1 . 2]" 1
906 2 15 LEU HA 2 19 ILE H 1.800 . 5.000 4.269 3.722 4.540 . 0 0 "[ . 1 . 2]" 1
907 2 15 LEU QB 2 19 ILE MD 1.800 . 5.000 3.556 2.470 4.276 . 0 0 "[ . 1 . 2]" 1
908 2 15 LEU H 2 16 ILE HB 1.800 . 5.000 4.837 4.623 5.000 . 0 0 "[ . 1 . 2]" 1
909 2 15 LEU H 2 16 ILE QG 1.800 . 5.000 4.231 4.038 4.426 . 0 0 "[ . 1 . 2]" 1
910 2 15 LEU H 2 16 ILE H 1.800 . 3.500 2.730 2.566 2.855 . 0 0 "[ . 1 . 2]" 1
911 2 15 LEU H 2 17 ALA H 1.800 . 5.000 4.081 3.852 4.247 . 0 0 "[ . 1 . 2]" 1
912 2 16 ILE HA 2 18 GLU H 1.800 . 5.000 4.463 4.246 4.822 . 0 0 "[ . 1 . 2]" 1
913 2 16 ILE HA 2 19 ILE HB 1.800 . 5.000 3.345 2.818 4.944 . 0 0 "[ . 1 . 2]" 1
914 2 16 ILE HA 2 19 ILE MD 1.800 . 5.000 2.553 1.890 4.650 . 0 0 "[ . 1 . 2]" 1
915 2 16 ILE HA 2 19 ILE MG 1.800 . 5.000 4.435 4.026 4.813 . 0 0 "[ . 1 . 2]" 1
916 2 16 ILE HA 2 19 ILE H 1.800 . 5.000 3.666 3.434 3.933 . 0 0 "[ . 1 . 2]" 1
917 2 16 ILE HA 2 20 LEU H 1.800 . 5.000 4.246 3.977 4.443 . 0 0 "[ . 1 . 2]" 1
918 2 16 ILE MG 2 20 LEU MD1 1.800 . 5.000 2.607 2.030 4.607 . 0 0 "[ . 1 . 2]" 1
919 2 16 ILE MG 2 20 LEU MD2 1.800 . 5.000 2.986 1.845 3.794 . 0 0 "[ . 1 . 2]" 1
920 2 16 ILE MG 2 20 LEU HG 1.800 . 5.000 2.892 2.311 4.030 . 0 0 "[ . 1 . 2]" 1
921 2 16 ILE H 2 18 GLU H 1.800 . 5.000 4.268 4.023 4.691 . 0 0 "[ . 1 . 2]" 1
922 2 17 ALA HA 2 20 LEU QB 1.800 . 5.000 2.659 2.218 3.280 . 0 0 "[ . 1 . 2]" 1
923 2 17 ALA HA 2 20 LEU MD1 1.800 . 5.000 2.882 2.095 4.956 . 0 0 "[ . 1 . 2]" 1
924 2 17 ALA HA 2 20 LEU H 1.800 . 5.000 3.539 3.307 3.939 . 0 0 "[ . 1 . 2]" 1
925 2 17 ALA H 2 18 GLU QB 1.800 . 5.000 4.678 4.321 5.001 0.001 15 0 "[ . 1 . 2]" 1
926 2 17 ALA H 2 18 GLU H 1.800 . 3.500 2.770 2.622 2.977 . 0 0 "[ . 1 . 2]" 1
927 2 18 GLU HA 2 21 VAL HB 1.800 . 5.000 2.678 2.051 3.168 . 0 0 "[ . 1 . 2]" 1
928 2 18 GLU HA 2 21 VAL MG1 1.800 . 5.000 3.964 3.440 4.398 . 0 0 "[ . 1 . 2]" 1
929 2 18 GLU HA 2 21 VAL H 1.800 . 5.000 3.297 2.878 3.769 . 0 0 "[ . 1 . 2]" 1
930 2 18 GLU HA 2 22 VAL H 1.800 . 5.000 4.354 3.894 4.585 . 0 0 "[ . 1 . 2]" 1
931 2 18 GLU H 2 19 ILE MD 1.800 . 5.000 5.000 4.955 5.008 0.008 9 0 "[ . 1 . 2]" 1
932 2 18 GLU H 2 19 ILE H 1.800 . 3.500 2.649 2.452 2.782 . 0 0 "[ . 1 . 2]" 1
933 2 18 GLU H 2 20 LEU H 1.800 . 5.000 4.060 3.783 4.280 . 0 0 "[ . 1 . 2]" 1
934 2 19 ILE HA 2 21 VAL H 1.800 . 5.000 4.326 4.162 4.472 . 0 0 "[ . 1 . 2]" 1
935 2 19 ILE HA 2 22 VAL HB 1.800 . 5.000 3.146 2.859 3.438 . 0 0 "[ . 1 . 2]" 1
936 2 19 ILE HA 2 22 VAL MG2 1.800 . 5.000 2.739 2.018 3.350 . 0 0 "[ . 1 . 2]" 1
937 2 19 ILE HA 2 22 VAL H 1.800 . 5.000 3.430 3.130 3.696 . 0 0 "[ . 1 . 2]" 1
938 2 19 ILE H 2 20 LEU H 1.800 . 3.500 2.603 2.454 2.708 . 0 0 "[ . 1 . 2]" 1
939 2 19 ILE H 2 21 VAL H 1.800 . 5.000 4.016 3.772 4.255 . 0 0 "[ . 1 . 2]" 1
940 2 19 ILE H 2 22 VAL MG2 1.800 . 5.000 4.515 4.047 5.005 0.005 17 0 "[ . 1 . 2]" 1
941 2 20 LEU HA 2 23 LEU QB 1.800 . 5.000 2.778 2.389 3.308 . 0 0 "[ . 1 . 2]" 1
942 2 20 LEU HA 2 23 LEU H 1.800 . 5.000 3.447 3.212 3.972 . 0 0 "[ . 1 . 2]" 1
943 2 20 LEU H 2 21 VAL QG 1.800 . 5.000 4.064 3.934 4.226 . 0 0 "[ . 1 . 2]" 1
944 2 20 LEU H 2 21 VAL H 1.800 . 3.500 2.632 2.530 2.786 . 0 0 "[ . 1 . 2]" 1
945 2 20 LEU H 2 22 VAL H 1.800 . 5.000 4.189 4.051 4.311 . 0 0 "[ . 1 . 2]" 1
946 2 21 VAL HA 2 24 GLU QB 1.800 . 5.000 2.724 2.243 3.439 . 0 0 "[ . 1 . 2]" 1
947 2 21 VAL HA 2 24 GLU QG 1.800 . 5.000 4.217 3.006 4.909 . 0 0 "[ . 1 . 2]" 1
948 2 21 VAL HA 2 24 GLU H 1.800 . 5.000 3.490 3.153 3.899 . 0 0 "[ . 1 . 2]" 1
949 2 21 VAL HA 2 25 LYS H 1.800 . 5.000 3.994 3.554 4.402 . 0 0 "[ . 1 . 2]" 1
950 2 21 VAL MG1 2 24 GLU QB 1.800 . 5.000 3.883 3.114 4.686 . 0 0 "[ . 1 . 2]" 1
951 2 21 VAL MG1 2 25 LYS QB 1.800 . 5.000 3.439 2.565 4.669 . 0 0 "[ . 1 . 2]" 1
952 2 21 VAL MG1 2 25 LYS QD 1.800 . 5.000 3.230 2.036 5.005 0.005 7 0 "[ . 1 . 2]" 1
953 2 21 VAL MG1 2 25 LYS QE 1.800 . 5.000 3.114 1.795 5.006 0.006 13 0 "[ . 1 . 2]" 1
954 2 21 VAL MG1 2 25 LYS QG 1.800 . 5.000 3.321 2.035 4.742 . 0 0 "[ . 1 . 2]" 1
955 2 21 VAL MG2 2 24 GLU QB 1.800 . 5.000 4.226 3.737 4.923 . 0 0 "[ . 1 . 2]" 1
956 2 21 VAL QG 2 25 LYS H 1.800 . 5.000 3.858 3.474 4.133 . 0 0 "[ . 1 . 2]" 1
957 2 21 VAL H 2 22 VAL MG2 1.800 . 5.000 4.131 3.761 4.372 . 0 0 "[ . 1 . 2]" 1
958 2 21 VAL H 2 22 VAL H 1.800 . 3.500 2.749 2.678 2.832 . 0 0 "[ . 1 . 2]" 1
959 2 22 VAL HA 2 25 LYS QB 1.800 . 5.000 2.789 2.195 3.658 . 0 0 "[ . 1 . 2]" 1
960 2 22 VAL HA 2 25 LYS QD 1.800 . 5.000 3.119 2.166 4.076 . 0 0 "[ . 1 . 2]" 1
961 2 22 VAL HA 2 25 LYS H 1.800 . 5.000 3.527 3.063 3.931 . 0 0 "[ . 1 . 2]" 1
962 2 22 VAL HA 2 26 HIS H 1.800 . 5.000 4.618 4.033 5.004 0.004 15 0 "[ . 1 . 2]" 1
963 2 22 VAL MG1 2 25 LYS QB 1.800 . 5.000 3.799 3.147 5.008 0.008 15 0 "[ . 1 . 2]" 1
964 2 22 VAL MG1 2 26 HIS HD2 1.800 . 5.000 3.088 2.051 4.287 . 0 0 "[ . 1 . 2]" 1
965 2 22 VAL MG2 2 25 LYS QD 1.800 . 5.000 3.981 3.061 4.739 . 0 0 "[ . 1 . 2]" 1
966 2 22 VAL MG2 2 25 LYS QE 1.800 . 5.000 4.264 2.281 5.006 0.006 17 0 "[ . 1 . 2]" 1
967 2 22 VAL H 2 23 LEU QB 1.800 . 5.000 4.714 4.565 4.839 . 0 0 "[ . 1 . 2]" 1
968 2 22 VAL H 2 23 LEU HG 1.800 . 5.000 4.590 4.433 4.863 . 0 0 "[ . 1 . 2]" 1
969 2 22 VAL H 2 24 GLU H 1.800 . 5.000 4.154 3.885 4.474 . 0 0 "[ . 1 . 2]" 1
970 2 23 LEU HA 2 25 LYS H 1.800 . 5.000 4.358 4.078 4.726 . 0 0 "[ . 1 . 2]" 1
971 2 23 LEU HA 2 26 HIS HD2 1.800 . 5.000 4.300 2.779 5.019 0.019 16 0 "[ . 1 . 2]" 1
972 2 23 LEU HA 2 26 HIS H 1.800 . 5.000 3.809 3.180 4.201 . 0 0 "[ . 1 . 2]" 1
973 2 23 LEU HA 2 27 LYS H 1.800 . 5.000 4.826 4.417 5.011 0.011 18 0 "[ . 1 . 2]" 1
974 2 23 LEU HA 2 28 ALA MB 1.800 . 5.000 3.256 2.591 3.958 . 0 0 "[ . 1 . 2]" 1
975 2 23 LEU HB3 2 28 ALA MB 1.800 . 5.000 3.025 2.254 3.555 . 0 0 "[ . 1 . 2]" 1
976 2 23 LEU HB2 2 28 ALA MB 1.800 . 5.000 4.509 3.758 5.009 0.009 13 0 "[ . 1 . 2]" 1
977 2 23 LEU QB 2 28 ALA MB 1.800 . 5.000 2.979 2.237 3.485 . 0 0 "[ . 1 . 2]" 1
978 2 23 LEU QB 2 28 ALA H 1.800 . 5.000 3.966 3.617 4.338 . 0 0 "[ . 1 . 2]" 1
979 2 23 LEU MD1 2 28 ALA MB 1.800 . 5.000 4.077 3.492 4.693 . 0 0 "[ . 1 . 2]" 1
980 2 23 LEU MD1 2 33 SER HA 1.800 . 5.000 3.803 3.047 4.481 . 0 0 "[ . 1 . 2]" 1
981 2 23 LEU MD1 2 33 SER HB3 1.800 . 5.000 3.166 1.900 5.004 0.004 16 0 "[ . 1 . 2]" 1
982 2 23 LEU MD1 2 33 SER HB2 1.800 . 5.000 3.652 2.007 4.905 . 0 0 "[ . 1 . 2]" 1
983 2 23 LEU MD1 2 36 ALA MB 1.800 . 5.000 4.308 3.746 4.733 . 0 0 "[ . 1 . 2]" 1
984 2 23 LEU MD1 2 37 LEU MD1 1.800 . 5.000 3.113 2.223 4.016 . 0 0 "[ . 1 . 2]" 1
985 2 23 LEU MD1 2 37 LEU HG 1.800 . 5.000 3.450 2.878 4.126 . 0 0 "[ . 1 . 2]" 1
986 2 23 LEU MD2 2 28 ALA MB 1.800 . 5.000 2.863 2.383 3.349 . 0 0 "[ . 1 . 2]" 1
987 2 23 LEU MD2 2 28 ALA H 1.800 . 5.000 4.678 4.276 5.001 0.001 20 0 "[ . 1 . 2]" 1
988 2 23 LEU MD2 2 33 SER HA 1.800 . 5.000 2.798 2.110 3.810 . 0 0 "[ . 1 . 2]" 1
989 2 23 LEU MD2 2 33 SER QB 1.800 . 5.000 3.169 2.282 4.493 . 0 0 "[ . 1 . 2]" 1
990 2 23 LEU MD2 2 36 ALA MB 1.800 . 5.000 2.952 2.421 3.305 . 0 0 "[ . 1 . 2]" 1
991 2 23 LEU H 2 24 GLU H 1.800 . 3.500 2.833 2.497 3.131 . 0 0 "[ . 1 . 2]" 1
992 2 23 LEU H 2 25 LYS H 1.800 . 5.000 4.165 3.995 4.372 . 0 0 "[ . 1 . 2]" 1
993 2 24 GLU HA 2 26 HIS H 1.800 . 5.000 4.041 3.416 4.624 . 0 0 "[ . 1 . 2]" 1
994 2 24 GLU HA 2 28 ALA H 1.800 . 5.000 3.647 2.962 4.530 . 0 0 "[ . 1 . 2]" 1
995 2 24 GLU QB 2 26 HIS H 1.800 . 5.000 4.734 4.355 5.007 0.007 20 0 "[ . 1 . 2]" 1
996 2 24 GLU H 2 25 LYS H 1.800 . 3.500 2.590 2.450 2.792 . 0 0 "[ . 1 . 2]" 1
997 2 24 GLU H 2 26 HIS H 1.800 . 5.000 4.190 3.809 4.553 . 0 0 "[ . 1 . 2]" 1
998 2 25 LYS HA 2 27 LYS H 1.800 . 5.000 3.889 3.642 4.257 . 0 0 "[ . 1 . 2]" 1
999 2 25 LYS QB 2 26 HIS HD2 1.800 . 5.000 3.278 2.518 4.608 . 0 0 "[ . 1 . 2]" 1
1000 2 25 LYS QB 2 27 LYS H 1.800 . 5.000 4.412 4.179 4.674 . 0 0 "[ . 1 . 2]" 1
1001 2 25 LYS H 2 26 HIS H 1.800 . 3.500 2.635 2.421 2.899 . 0 0 "[ . 1 . 2]" 1
1002 2 25 LYS H 2 27 LYS H 1.800 . 5.000 3.707 3.379 4.075 . 0 0 "[ . 1 . 2]" 1
1003 2 26 HIS HB3 2 28 ALA H 1.800 . 5.000 4.379 3.525 5.028 0.028 15 0 "[ . 1 . 2]" 1
1004 2 26 HIS HB2 2 28 ALA H 1.800 . 5.000 3.555 2.503 5.003 0.003 18 0 "[ . 1 . 2]" 1
1005 2 26 HIS QB 2 28 ALA MB 1.800 . 5.000 3.053 2.216 4.717 . 0 0 "[ . 1 . 2]" 1
1006 2 26 HIS H 2 27 LYS H 1.800 . 2.900 2.262 2.039 2.453 . 0 0 "[ . 1 . 2]" 1
1007 2 26 HIS H 2 28 ALA MB 1.800 . 5.000 4.569 4.203 4.891 . 0 0 "[ . 1 . 2]" 1
1008 2 26 HIS H 2 28 ALA H 1.800 . 5.000 3.957 3.457 4.629 . 0 0 "[ . 1 . 2]" 1
1009 2 27 LYS HA 2 28 ALA H 1.800 . 3.500 2.625 2.299 2.793 . 0 0 "[ . 1 . 2]" 1
1010 2 27 LYS H 2 28 ALA H 1.800 . 3.500 2.824 2.575 3.175 . 0 0 "[ . 1 . 2]" 1
1011 2 28 ALA HA 2 29 PRO HD3 1.800 . 5.000 2.168 1.867 2.509 . 0 0 "[ . 1 . 2]" 1
1012 2 28 ALA HA 2 29 PRO HD2 1.800 . 5.000 2.258 1.905 2.615 . 0 0 "[ . 1 . 2]" 1
1013 2 28 ALA HA 2 29 PRO QG 1.800 . 5.000 3.792 3.740 3.860 . 0 0 "[ . 1 . 2]" 1
1014 2 28 ALA HA 2 32 LEU MD2 1.800 . 5.000 2.734 2.074 4.897 . 0 0 "[ . 1 . 2]" 1
1015 2 28 ALA MB 2 29 PRO QD 1.800 . 5.000 2.845 2.524 3.090 . 0 0 "[ . 1 . 2]" 1
1016 2 28 ALA MB 2 32 LEU QB 1.800 . 5.000 2.418 2.053 2.954 . 0 0 "[ . 1 . 2]" 1
1017 2 28 ALA MB 2 32 LEU MD2 1.800 . 5.000 2.533 2.012 4.496 . 0 0 "[ . 1 . 2]" 1
1018 2 28 ALA MB 2 32 LEU HG 1.800 . 5.000 2.823 2.368 3.580 . 0 0 "[ . 1 . 2]" 1
1019 2 28 ALA MB 2 33 SER HA 1.800 . 5.000 3.154 2.771 3.739 . 0 0 "[ . 1 . 2]" 1
1020 2 28 ALA MB 2 33 SER H 1.800 . 5.000 3.301 2.936 3.733 . 0 0 "[ . 1 . 2]" 1
1021 2 28 ALA H 2 29 PRO QD 1.800 . 5.000 4.204 4.061 4.344 . 0 0 "[ . 1 . 2]" 1
1022 2 29 PRO HB3 2 30 THR H 1.800 . 4.000 3.130 2.771 3.506 . 0 0 "[ . 1 . 2]" 1
1023 2 29 PRO HB3 2 31 ASP H 1.800 . 5.000 4.144 3.607 4.647 . 0 0 "[ . 1 . 2]" 1
1024 2 29 PRO HB2 2 30 THR H 1.800 . 4.000 2.900 2.424 3.353 . 0 0 "[ . 1 . 2]" 1
1025 2 29 PRO HB2 2 31 ASP H 1.800 . 5.000 2.861 2.577 3.249 . 0 0 "[ . 1 . 2]" 1
1026 2 29 PRO QB 2 32 LEU H 1.800 . 5.000 2.944 2.395 3.533 . 0 0 "[ . 1 . 2]" 1
1027 2 29 PRO HD3 2 32 LEU MD2 1.800 . 5.000 3.394 2.802 4.687 . 0 0 "[ . 1 . 2]" 1
1028 2 29 PRO HD2 2 32 LEU MD2 1.800 . 5.000 2.395 1.970 3.542 . 0 0 "[ . 1 . 2]" 1
1029 2 29 PRO QD 2 32 LEU QB 1.800 . 5.000 2.131 1.797 2.671 0.003 10 0 "[ . 1 . 2]" 1
1030 2 29 PRO QD 2 32 LEU H 1.800 . 5.000 3.665 3.240 4.034 . 0 0 "[ . 1 . 2]" 1
1031 2 29 PRO QG 2 32 LEU QB 1.800 . 5.000 2.833 1.987 3.790 . 0 0 "[ . 1 . 2]" 1
1032 2 29 PRO QG 2 32 LEU MD2 1.800 . 5.000 3.498 2.974 4.290 . 0 0 "[ . 1 . 2]" 1
1033 2 30 THR HA 2 33 SER H 1.800 . 5.000 3.583 3.270 3.823 . 0 0 "[ . 1 . 2]" 1
1034 2 30 THR HA 2 34 LEU H 1.800 . 5.000 3.897 3.590 4.235 . 0 0 "[ . 1 . 2]" 1
1035 2 30 THR MG 2 34 LEU QB 1.800 . 5.000 4.014 3.735 4.351 . 0 0 "[ . 1 . 2]" 1
1036 2 30 THR MG 2 34 LEU MD1 1.800 . 5.000 2.325 2.041 2.705 . 0 0 "[ . 1 . 2]" 1
1037 2 30 THR MG 2 34 LEU HG 1.800 . 5.000 2.709 2.258 2.993 . 0 0 "[ . 1 . 2]" 1
1038 2 30 THR MG 2 34 LEU H 1.800 . 5.000 4.037 3.645 4.215 . 0 0 "[ . 1 . 2]" 1
1039 2 30 THR H 2 33 SER H 1.800 . 5.000 4.722 4.565 4.858 . 0 0 "[ . 1 . 2]" 1
1040 2 31 ASP HA 2 34 LEU QB 1.800 . 5.000 3.239 2.810 3.888 . 0 0 "[ . 1 . 2]" 1
1041 2 31 ASP HA 2 34 LEU MD1 1.800 . 5.000 3.157 2.294 4.094 . 0 0 "[ . 1 . 2]" 1
1042 2 31 ASP HA 2 34 LEU H 1.800 . 5.000 3.883 3.449 4.514 . 0 0 "[ . 1 . 2]" 1
1043 2 31 ASP HA 2 35 MET H 1.800 . 5.000 4.237 3.985 4.423 . 0 0 "[ . 1 . 2]" 1
1044 2 31 ASP QB 2 35 MET ME 1.800 . 5.000 4.193 3.203 5.011 0.011 11 0 "[ . 1 . 2]" 1
1045 2 31 ASP H 2 32 LEU H 1.800 . 3.500 2.770 2.538 2.973 . 0 0 "[ . 1 . 2]" 1
1046 2 31 ASP H 2 33 SER H 1.800 . 5.000 4.087 3.902 4.231 . 0 0 "[ . 1 . 2]" 1
1047 2 32 LEU HA 2 35 MET QB 1.800 . 5.000 2.485 2.210 2.841 . 0 0 "[ . 1 . 2]" 1
1048 2 32 LEU HA 2 35 MET ME 1.800 . 5.000 3.669 2.512 4.745 . 0 0 "[ . 1 . 2]" 1
1049 2 32 LEU HA 2 35 MET H 1.800 . 5.000 3.464 3.246 3.655 . 0 0 "[ . 1 . 2]" 1
1050 2 32 LEU HA 2 36 ALA H 1.800 . 5.000 3.932 3.730 4.207 . 0 0 "[ . 1 . 2]" 1
1051 2 32 LEU MD1 2 35 MET QB 1.800 . 5.000 2.721 2.304 3.177 . 0 0 "[ . 1 . 2]" 1
1052 2 32 LEU MD1 2 35 MET ME 1.800 . 5.000 3.652 2.059 4.611 . 0 0 "[ . 1 . 2]" 1
1053 2 32 LEU MD1 2 35 MET H 1.800 . 5.000 4.484 4.121 4.765 . 0 0 "[ . 1 . 2]" 1
1054 2 32 LEU MD1 2 36 ALA MB 1.800 . 5.000 3.470 2.986 4.053 . 0 0 "[ . 1 . 2]" 1
1055 2 32 LEU MD1 2 36 ALA H 1.800 . 5.000 3.777 3.334 4.153 . 0 0 "[ . 1 . 2]" 1
1056 2 32 LEU H 2 33 SER H 1.800 . 3.500 2.563 2.354 2.801 . 0 0 "[ . 1 . 2]" 1
1057 2 32 LEU H 2 34 LEU H 1.800 . 5.000 4.298 4.068 4.476 . 0 0 "[ . 1 . 2]" 1
1058 2 32 LEU H 2 35 MET H 1.800 . 5.000 4.711 4.520 4.857 . 0 0 "[ . 1 . 2]" 1
1059 2 33 SER HA 2 36 ALA MB 1.800 . 5.000 2.868 2.526 3.259 . 0 0 "[ . 1 . 2]" 1
1060 2 33 SER HA 2 36 ALA H 1.800 . 5.000 3.558 3.302 3.942 . 0 0 "[ . 1 . 2]" 1
1061 2 33 SER QB 2 37 LEU MD2 1.800 . 5.000 3.396 2.669 4.484 . 0 0 "[ . 1 . 2]" 1
1062 2 33 SER H 2 34 LEU QB 1.800 . 5.000 4.681 4.563 4.755 . 0 0 "[ . 1 . 2]" 1
1063 2 33 SER H 2 34 LEU HG 1.800 . 5.000 4.586 4.465 4.735 . 0 0 "[ . 1 . 2]" 1
1064 2 33 SER H 2 35 MET H 1.800 . 5.000 3.998 3.820 4.235 . 0 0 "[ . 1 . 2]" 1
1065 2 33 SER H 2 36 ALA H 1.800 . 5.000 4.698 4.583 4.847 . 0 0 "[ . 1 . 2]" 1
1066 2 34 LEU HA 2 37 LEU QB 1.800 . 5.000 2.689 2.495 3.006 . 0 0 "[ . 1 . 2]" 1
1067 2 34 LEU HA 2 37 LEU H 1.800 . 5.000 3.647 3.410 4.027 . 0 0 "[ . 1 . 2]" 1
1068 2 34 LEU HA 2 38 GLY H 1.800 . 5.000 3.715 3.490 3.912 . 0 0 "[ . 1 . 2]" 1
1069 2 34 LEU MD2 2 37 LEU QB 1.800 . 5.000 3.596 3.332 3.986 . 0 0 "[ . 1 . 2]" 1
1070 2 34 LEU MD2 2 37 LEU MD2 1.800 . 5.000 4.574 4.059 5.016 0.016 17 0 "[ . 1 . 2]" 1
1071 2 34 LEU H 2 35 MET H 1.800 . 3.500 2.644 2.554 2.743 . 0 0 "[ . 1 . 2]" 1
1072 2 34 LEU H 2 36 ALA H 1.800 . 5.000 4.281 4.075 4.477 . 0 0 "[ . 1 . 2]" 1
1073 2 34 LEU H 2 37 LEU QB 1.800 . 5.000 4.813 4.536 5.001 0.001 6 0 "[ . 1 . 2]" 1
1074 2 34 LEU H 2 37 LEU H 1.800 . 5.000 4.811 4.651 4.996 . 0 0 "[ . 1 . 2]" 1
1075 2 35 MET HA 2 38 GLY H 1.800 . 5.000 3.749 3.491 3.937 . 0 0 "[ . 1 . 2]" 1
1076 2 35 MET HA 2 39 ASN H 1.800 . 5.000 4.161 3.590 4.539 . 0 0 "[ . 1 . 2]" 1
1077 2 35 MET QB 2 39 ASN QD 1.800 . 5.000 4.230 3.122 5.005 0.005 8 0 "[ . 1 . 2]" 1
1078 2 35 MET QG 2 39 ASN QD 1.800 . 5.000 3.132 2.399 5.002 0.002 10 0 "[ . 1 . 2]" 1
1079 2 35 MET H 2 36 ALA H 1.800 . 3.500 2.724 2.617 2.808 . 0 0 "[ . 1 . 2]" 1
1080 2 35 MET H 2 37 LEU H 1.800 . 5.000 4.280 4.081 4.531 . 0 0 "[ . 1 . 2]" 1
1081 2 36 ALA HA 2 39 ASN QB 1.800 . 5.000 3.197 2.854 3.843 . 0 0 "[ . 1 . 2]" 1
1082 2 36 ALA HA 2 39 ASN H 1.800 . 5.000 3.772 3.425 3.968 . 0 0 "[ . 1 . 2]" 1
1083 2 36 ALA MB 2 39 ASN QB 1.800 . 5.000 4.486 4.191 5.029 0.029 4 0 "[ . 1 . 2]" 1
1084 2 36 ALA MB 2 39 ASN H 1.800 . 5.000 4.813 4.603 4.957 . 0 0 "[ . 1 . 2]" 1
1085 2 37 LEU HA 2 40 CYS QB 1.800 . 5.000 2.469 2.174 2.907 . 0 0 "[ . 1 . 2]" 1
1086 2 37 LEU HA 2 40 CYS H 1.800 . 5.000 3.419 3.136 3.646 . 0 0 "[ . 1 . 2]" 1
1087 2 37 LEU HA 2 41 VAL H 1.800 . 5.000 4.014 3.775 4.449 . 0 0 "[ . 1 . 2]" 1
1088 2 37 LEU QB 2 41 VAL H 1.800 . 5.000 4.609 4.306 4.932 . 0 0 "[ . 1 . 2]" 1
1089 2 37 LEU MD1 2 40 CYS QB 1.800 . 5.000 3.489 2.664 5.011 0.011 17 0 "[ . 1 . 2]" 1
1090 2 37 LEU H 2 38 GLY H 1.800 . 3.500 2.749 2.605 2.902 . 0 0 "[ . 1 . 2]" 1
1091 2 37 LEU H 2 39 ASN H 1.800 . 5.000 4.400 4.251 4.542 . 0 0 "[ . 1 . 2]" 1
1092 2 37 LEU H 2 40 CYS H 1.800 . 5.000 4.711 4.555 4.924 . 0 0 "[ . 1 . 2]" 1
1093 2 38 GLY HA3 2 41 VAL MG2 1.800 . 5.000 4.602 4.087 5.000 0.000 20 0 "[ . 1 . 2]" 1
1094 2 38 GLY HA2 2 41 VAL MG2 1.800 . 5.000 3.186 2.628 3.655 . 0 0 "[ . 1 . 2]" 1
1095 2 38 GLY QA 2 40 CYS H 1.800 . 5.000 3.924 3.825 4.034 . 0 0 "[ . 1 . 2]" 1
1096 2 38 GLY QA 2 41 VAL HB 1.800 . 5.000 3.217 2.854 3.476 . 0 0 "[ . 1 . 2]" 1
1097 2 38 GLY QA 2 41 VAL MG2 1.800 . 5.000 3.130 2.598 3.570 . 0 0 "[ . 1 . 2]" 1
1098 2 38 GLY QA 2 41 VAL H 1.800 . 5.000 3.582 3.324 3.810 . 0 0 "[ . 1 . 2]" 1
1099 2 38 GLY H 2 39 ASN QB 1.800 . 5.000 4.754 4.663 4.957 . 0 0 "[ . 1 . 2]" 1
1100 2 38 GLY H 2 39 ASN H 1.800 . 3.500 2.820 2.737 2.884 . 0 0 "[ . 1 . 2]" 1
1101 2 38 GLY H 2 40 CYS H 1.800 . 5.000 4.004 3.890 4.155 . 0 0 "[ . 1 . 2]" 1
1102 2 38 GLY H 2 41 VAL H 1.800 . 5.000 4.838 4.667 4.979 . 0 0 "[ . 1 . 2]" 1
1103 2 39 ASN HA 2 42 THR HB 1.800 . 5.000 3.212 2.669 4.561 . 0 0 "[ . 1 . 2]" 1
1104 2 39 ASN HA 2 42 THR MG 1.800 . 5.000 4.148 3.700 4.498 . 0 0 "[ . 1 . 2]" 1
1105 2 39 ASN HA 2 42 THR H 1.800 . 5.000 3.479 3.156 3.620 . 0 0 "[ . 1 . 2]" 1
1106 2 39 ASN HA 2 43 HIS H 1.800 . 5.000 3.905 3.706 4.094 . 0 0 "[ . 1 . 2]" 1
1107 2 39 ASN QB 2 42 THR H 1.800 . 5.000 4.983 4.761 5.010 0.010 4 0 "[ . 1 . 2]" 1
1108 2 39 ASN QB 2 43 HIS QB 1.800 . 5.000 3.818 3.605 4.175 . 0 0 "[ . 1 . 2]" 1
1109 2 39 ASN H 2 40 CYS QB 1.800 . 5.000 4.439 4.118 4.680 . 0 0 "[ . 1 . 2]" 1
1110 2 39 ASN H 2 40 CYS H 1.800 . 3.500 2.552 2.347 2.640 . 0 0 "[ . 1 . 2]" 1
1111 2 39 ASN H 2 41 VAL H 1.800 . 5.000 4.329 4.095 4.498 . 0 0 "[ . 1 . 2]" 1
1112 2 40 CYS HA 2 42 THR H 1.800 . 5.000 4.563 4.467 4.722 . 0 0 "[ . 1 . 2]" 1
1113 2 40 CYS HA 2 43 HIS QB 1.800 . 5.000 2.606 2.189 3.013 . 0 0 "[ . 1 . 2]" 1
1114 2 40 CYS HA 2 43 HIS HD2 1.800 . 5.000 4.722 4.124 5.014 0.014 16 0 "[ . 1 . 2]" 1
1115 2 40 CYS HA 2 43 HIS H 1.800 . 5.000 3.486 3.272 3.630 . 0 0 "[ . 1 . 2]" 1
1116 2 40 CYS QB 2 43 HIS QB 1.800 . 5.000 4.369 3.970 4.856 . 0 0 "[ . 1 . 2]" 1
1117 2 40 CYS H 2 41 VAL HB 1.800 . 5.000 4.902 4.778 5.001 0.001 17 0 "[ . 1 . 2]" 1
1118 2 40 CYS H 2 41 VAL MG2 1.800 . 5.000 4.076 3.869 4.249 . 0 0 "[ . 1 . 2]" 1
1119 2 40 CYS H 2 41 VAL H 1.800 . 3.500 2.704 2.543 2.854 . 0 0 "[ . 1 . 2]" 1
1120 2 40 CYS H 2 42 THR H 1.800 . 5.000 4.157 4.008 4.361 . 0 0 "[ . 1 . 2]" 1
1121 2 41 VAL HA 2 44 LEU HB3 1.800 . 5.000 4.698 4.205 5.003 0.003 13 0 "[ . 1 . 2]" 1
1122 2 41 VAL HA 2 44 LEU HB2 1.800 . 5.000 3.167 2.662 3.475 . 0 0 "[ . 1 . 2]" 1
1123 2 41 VAL HA 2 44 LEU MD1 1.800 . 5.000 2.532 2.055 3.210 . 0 0 "[ . 1 . 2]" 1
1124 2 41 VAL HA 2 44 LEU HG 1.800 . 5.000 3.406 2.772 4.327 . 0 0 "[ . 1 . 2]" 1
1125 2 41 VAL HA 2 44 LEU H 1.800 . 5.000 3.618 3.367 3.915 . 0 0 "[ . 1 . 2]" 1
1126 2 41 VAL HA 2 45 LEU H 1.800 . 5.000 4.525 4.085 4.956 . 0 0 "[ . 1 . 2]" 1
1127 2 41 VAL MG1 2 42 THR HA 1.800 . 5.000 3.430 3.269 3.512 . 0 0 "[ . 1 . 2]" 1
1128 2 41 VAL MG1 2 42 THR MG 1.800 . 5.000 4.417 3.498 4.877 . 0 0 "[ . 1 . 2]" 1
1129 2 41 VAL MG1 2 45 LEU QB 1.800 . 5.000 4.375 2.915 5.006 0.006 20 0 "[ . 1 . 2]" 1
1130 2 41 VAL MG1 2 45 LEU MD1 1.800 . 5.000 2.949 2.403 3.395 . 0 0 "[ . 1 . 2]" 1
1131 2 41 VAL MG1 2 45 LEU MD2 1.800 . 5.000 3.996 3.432 4.976 . 0 0 "[ . 1 . 2]" 1
1132 2 41 VAL MG1 2 45 LEU HG 1.800 . 5.000 3.454 2.992 4.987 . 0 0 "[ . 1 . 2]" 1
1133 2 41 VAL MG1 2 45 LEU H 1.800 . 5.000 4.330 4.021 4.641 . 0 0 "[ . 1 . 2]" 1
1134 2 41 VAL MG1 2 61 PHE QD 1.800 . 5.000 3.335 2.821 3.676 . 0 0 "[ . 1 . 2]" 1
1135 2 41 VAL MG1 2 61 PHE QE 1.800 . 5.000 2.808 2.178 3.129 . 0 0 "[ . 1 . 2]" 1
1136 2 41 VAL MG1 2 61 PHE HZ 1.800 . 5.000 3.288 3.056 3.614 . 0 0 "[ . 1 . 2]" 1
1137 2 41 VAL MG1 2 65 LEU MD1 1.800 . 5.000 4.935 4.530 5.013 0.013 4 0 "[ . 1 . 2]" 1
1138 2 41 VAL MG1 2 65 LEU MD2 1.800 . 5.000 4.927 4.440 5.012 0.012 2 0 "[ . 1 . 2]" 1
1139 2 41 VAL MG2 2 61 PHE QE 1.800 . 5.000 3.136 2.512 3.706 . 0 0 "[ . 1 . 2]" 1
1140 2 41 VAL MG2 2 61 PHE HZ 1.800 . 5.000 2.924 2.373 3.520 . 0 0 "[ . 1 . 2]" 1
1141 2 41 VAL H 2 42 THR H 1.800 . 3.500 2.747 2.660 2.822 . 0 0 "[ . 1 . 2]" 1
1142 2 41 VAL H 2 43 HIS H 1.800 . 5.000 4.061 3.884 4.233 . 0 0 "[ . 1 . 2]" 1
1143 2 42 THR HA 2 45 LEU QB 1.800 . 5.000 2.754 2.152 3.126 . 0 0 "[ . 1 . 2]" 1
1144 2 42 THR HA 2 45 LEU MD1 1.800 . 5.000 2.506 1.809 3.472 . 0 0 "[ . 1 . 2]" 1
1145 2 42 THR HA 2 45 LEU H 1.800 . 5.000 3.392 3.101 3.675 . 0 0 "[ . 1 . 2]" 1
1146 2 42 THR HA 2 46 GLU H 1.800 . 5.000 4.273 3.643 4.849 . 0 0 "[ . 1 . 2]" 1
1147 2 42 THR MG 2 46 GLU QG 1.800 . 5.000 3.484 2.365 5.003 0.003 8 0 "[ . 1 . 2]" 1
1148 2 42 THR MG 2 46 GLU H 1.800 . 5.000 4.354 3.586 5.006 0.006 13 0 "[ . 1 . 2]" 1
1149 2 43 HIS HA 2 46 GLU H 1.800 . 5.000 3.408 3.030 3.992 . 0 0 "[ . 1 . 2]" 1
1150 2 43 HIS HA 2 47 ARG H 1.800 . 5.000 4.493 3.845 5.010 0.010 7 0 "[ . 1 . 2]" 1
1151 2 43 HIS QB 2 44 LEU HG 1.800 . 5.000 3.672 3.164 4.504 . 0 0 "[ . 1 . 2]" 1
1152 2 43 HIS HD2 2 44 LEU HA 1.800 . 5.000 4.258 3.137 5.007 0.007 13 0 "[ . 1 . 2]" 1
1153 2 43 HIS HD2 2 44 LEU HG 1.800 . 5.000 4.614 2.962 5.008 0.008 16 0 "[ . 1 . 2]" 1
1154 2 43 HIS H 2 44 LEU H 1.800 . 3.500 2.607 2.467 2.790 . 0 0 "[ . 1 . 2]" 1
1155 2 44 LEU HA 2 47 ARG QB 1.800 . 5.000 3.302 2.509 4.326 . 0 0 "[ . 1 . 2]" 1
1156 2 44 LEU HA 2 47 ARG H 1.800 . 5.000 3.630 3.007 3.962 . 0 0 "[ . 1 . 2]" 1
1157 2 44 LEU HA 2 48 LYS H 1.800 . 5.000 3.983 3.432 5.002 0.002 5 0 "[ . 1 . 2]" 1
1158 2 44 LEU H 2 45 LEU H 1.800 . 3.500 2.547 2.307 2.720 . 0 0 "[ . 1 . 2]" 1
1159 2 45 LEU HA 2 48 LYS H 1.800 . 5.000 3.917 3.668 4.260 . 0 0 "[ . 1 . 2]" 1
1160 2 45 LEU HA 2 49 VAL MG2 1.800 . 5.000 2.282 1.964 2.572 . 0 0 "[ . 1 . 2]" 1
1161 2 45 LEU HA 2 49 VAL H 1.800 . 5.000 3.320 2.962 3.937 . 0 0 "[ . 1 . 2]" 1
1162 2 45 LEU HA 2 54 ARG QG 1.800 . 5.000 3.715 3.289 5.003 0.003 17 0 "[ . 1 . 2]" 1
1163 2 45 LEU MD1 2 57 VAL HB 1.800 . 5.000 3.539 2.538 4.847 . 0 0 "[ . 1 . 2]" 1
1164 2 45 LEU MD1 2 57 VAL MG1 1.800 . 5.000 3.407 2.270 5.005 0.005 9 0 "[ . 1 . 2]" 1
1165 2 45 LEU MD1 2 58 ALA MB 1.800 . 5.000 2.367 1.800 2.969 0.000 20 0 "[ . 1 . 2]" 1
1166 2 45 LEU MD2 2 49 VAL HB 1.800 . 5.000 2.952 2.583 3.581 . 0 0 "[ . 1 . 2]" 1
1167 2 45 LEU MD2 2 49 VAL MG1 1.800 . 5.000 2.860 2.284 3.918 . 0 0 "[ . 1 . 2]" 1
1168 2 45 LEU MD2 2 49 VAL MG2 1.800 . 5.000 2.183 1.796 4.160 0.004 20 0 "[ . 1 . 2]" 1
1169 2 45 LEU MD2 2 49 VAL H 1.800 . 5.000 4.487 4.051 4.992 . 0 0 "[ . 1 . 2]" 1
1170 2 45 LEU MD2 2 54 ARG HA 1.800 . 5.000 2.604 2.455 2.882 . 0 0 "[ . 1 . 2]" 1
1171 2 45 LEU MD2 2 54 ARG QB 1.800 . 5.000 3.681 1.970 4.412 . 0 0 "[ . 1 . 2]" 1
1172 2 45 LEU MD2 2 54 ARG QD 1.800 . 5.000 4.339 2.578 5.006 0.006 8 0 "[ . 1 . 2]" 1
1173 2 45 LEU MD2 2 54 ARG QG 1.800 . 5.000 3.019 2.059 3.709 . 0 0 "[ . 1 . 2]" 1
1174 2 45 LEU MD2 2 54 ARG H 1.800 . 5.000 4.954 4.453 5.009 0.009 6 0 "[ . 1 . 2]" 1
1175 2 45 LEU MD2 2 57 VAL HB 1.800 . 5.000 2.602 2.066 4.968 . 0 0 "[ . 1 . 2]" 1
1176 2 45 LEU MD2 2 57 VAL MG1 1.800 . 5.000 2.403 1.954 4.564 . 0 0 "[ . 1 . 2]" 1
1177 2 45 LEU MD2 2 58 ALA MB 1.800 . 5.000 3.731 3.099 4.232 . 0 0 "[ . 1 . 2]" 1
1178 2 45 LEU MD2 2 58 ALA H 1.800 . 5.000 3.767 3.152 4.335 . 0 0 "[ . 1 . 2]" 1
1179 2 45 LEU H 2 46 GLU H 1.800 . 3.500 2.689 2.594 2.826 . 0 0 "[ . 1 . 2]" 1
1180 2 46 GLU HA 2 49 VAL H 1.800 . 5.000 4.520 4.104 5.001 0.001 20 0 "[ . 1 . 2]" 1
1181 2 46 GLU HA 2 54 ARG HD3 1.800 . 5.000 2.785 1.895 4.128 . 0 0 "[ . 1 . 2]" 1
1182 2 46 GLU HA 2 54 ARG HD2 1.800 . 5.000 3.881 2.327 5.001 0.001 1 0 "[ . 1 . 2]" 1
1183 2 46 GLU HA 2 54 ARG HE 1.800 . 5.000 2.775 1.989 3.838 . 0 0 "[ . 1 . 2]" 1
1184 2 46 GLU QG 2 54 ARG QD 1.800 . 5.000 3.138 2.081 4.296 . 0 0 "[ . 1 . 2]" 1
1185 2 46 GLU QG 2 54 ARG HE 1.800 . 5.000 4.513 3.872 5.009 0.009 17 0 "[ . 1 . 2]" 1
1186 2 46 GLU QG 2 54 ARG QG 1.800 . 5.000 4.500 3.438 5.017 0.017 10 0 "[ . 1 . 2]" 1
1187 2 46 GLU H 2 47 ARG H 1.800 . 3.500 2.685 2.466 2.906 . 0 0 "[ . 1 . 2]" 1
1188 2 47 ARG HA 2 49 VAL H 1.800 . 5.000 4.686 4.181 5.009 0.009 5 0 "[ . 1 . 2]" 1
1189 2 47 ARG H 2 48 LYS HA 1.800 . 5.000 4.987 4.915 5.021 0.021 7 0 "[ . 1 . 2]" 1
1190 2 47 ARG H 2 48 LYS H 1.800 . 3.500 2.363 2.255 2.512 . 0 0 "[ . 1 . 2]" 1
1191 2 48 LYS H 2 49 VAL HB 1.800 . 5.000 4.500 4.188 4.967 . 0 0 "[ . 1 . 2]" 1
1192 2 48 LYS H 2 49 VAL MG2 1.800 . 5.000 3.511 3.093 3.842 . 0 0 "[ . 1 . 2]" 1
1193 2 48 LYS H 2 49 VAL H 1.800 . 3.500 2.208 1.842 2.508 . 0 0 "[ . 1 . 2]" 1
1194 2 49 VAL HB 2 54 ARG HA 1.800 . 5.000 3.253 2.696 3.973 . 0 0 "[ . 1 . 2]" 1
1195 2 49 VAL HB 2 54 ARG QG 1.800 . 5.000 2.799 1.967 4.506 . 0 0 "[ . 1 . 2]" 1
1196 2 49 VAL MG1 2 50 PRO HD3 1.800 . 5.000 3.313 3.057 3.810 . 0 0 "[ . 1 . 2]" 1
1197 2 49 VAL MG1 2 50 PRO HD2 1.800 . 5.000 2.217 1.981 3.005 . 0 0 "[ . 1 . 2]" 1
1198 2 49 VAL MG1 2 53 SER QB 1.800 . 5.000 2.072 1.798 2.293 0.002 10 0 "[ . 1 . 2]" 1
1199 2 49 VAL MG1 2 53 SER H 1.800 . 5.000 3.601 3.186 3.908 . 0 0 "[ . 1 . 2]" 1
1200 2 49 VAL MG1 2 54 ARG HA 1.800 . 5.000 2.311 1.991 2.827 . 0 0 "[ . 1 . 2]" 1
1201 2 49 VAL MG1 2 54 ARG QB 1.800 . 5.000 3.286 2.400 4.228 . 0 0 "[ . 1 . 2]" 1
1202 2 49 VAL MG1 2 54 ARG QG 1.800 . 5.000 3.046 2.186 4.232 . 0 0 "[ . 1 . 2]" 1
1203 2 49 VAL MG1 2 54 ARG H 1.800 . 5.000 2.762 2.504 3.518 . 0 0 "[ . 1 . 2]" 1
1204 2 49 VAL MG1 2 57 VAL HB 1.800 . 5.000 3.333 2.615 4.585 . 0 0 "[ . 1 . 2]" 1
1205 2 49 VAL MG2 2 50 PRO QD 1.800 . 5.000 3.514 3.330 3.741 . 0 0 "[ . 1 . 2]" 1
1206 2 49 VAL MG2 2 54 ARG HA 1.800 . 5.000 3.842 3.518 4.371 . 0 0 "[ . 1 . 2]" 1
1207 2 49 VAL H 2 50 PRO QD 1.800 . 5.000 4.229 3.784 4.332 . 0 0 "[ . 1 . 2]" 1
1208 2 49 VAL H 2 54 ARG HE 1.800 . 5.000 4.015 3.738 4.489 . 0 0 "[ . 1 . 2]" 1
1209 2 50 PRO HA 2 51 SER H 1.800 . 3.500 2.243 2.159 2.312 . 0 0 "[ . 1 . 2]" 1
1210 2 50 PRO HA 2 52 GLU H 1.800 . 5.000 4.384 4.148 4.816 . 0 0 "[ . 1 . 2]" 1
1211 2 50 PRO HB3 2 52 GLU H 1.800 . 5.000 4.091 3.603 4.710 . 0 0 "[ . 1 . 2]" 1
1212 2 50 PRO QB 2 53 SER QB 1.800 . 5.000 3.281 2.365 4.522 . 0 0 "[ . 1 . 2]" 1
1213 2 50 PRO HB2 2 52 GLU H 1.800 . 5.000 3.199 2.750 3.773 . 0 0 "[ . 1 . 2]" 1
1214 2 50 PRO QB 2 53 SER H 1.800 . 5.000 2.810 2.437 3.407 . 0 0 "[ . 1 . 2]" 1
1215 2 50 PRO HD3 2 53 SER QB 1.800 . 5.000 4.214 3.695 4.991 . 0 0 "[ . 1 . 2]" 1
1216 2 50 PRO HD2 2 53 SER QB 1.800 . 5.000 2.655 2.079 3.442 . 0 0 "[ . 1 . 2]" 1
1217 2 50 PRO QG 2 53 SER QB 1.800 . 5.000 3.185 1.809 4.314 . 0 0 "[ . 1 . 2]" 1
1218 2 51 SER HA 2 53 SER H 1.800 . 5.000 4.478 3.968 4.861 . 0 0 "[ . 1 . 2]" 1
1219 2 51 SER HA 2 54 ARG QD 1.800 . 5.000 2.494 1.932 3.822 . 0 0 "[ . 1 . 2]" 1
1220 2 51 SER HA 2 54 ARG HE 1.800 . 5.000 3.133 2.836 3.362 . 0 0 "[ . 1 . 2]" 1
1221 2 51 SER HA 2 54 ARG QH 1.800 . 5.000 2.970 2.395 3.375 . 0 0 "[ . 1 . 2]" 1
1222 2 51 SER HA 2 54 ARG H 1.800 . 5.000 3.525 3.114 3.935 . 0 0 "[ . 1 . 2]" 1
1223 2 51 SER QB 2 53 SER H 1.800 . 5.000 4.740 4.387 5.003 0.003 12 0 "[ . 1 . 2]" 1
1224 2 51 SER QB 2 54 ARG QB 1.800 . 5.000 4.152 3.439 4.994 . 0 0 "[ . 1 . 2]" 1
1225 2 51 SER QB 2 54 ARG HE 1.800 . 5.000 4.837 4.077 5.006 0.006 16 0 "[ . 1 . 2]" 1
1226 2 51 SER QB 2 54 ARG H 1.800 . 5.000 4.809 4.547 5.004 0.004 19 0 "[ . 1 . 2]" 1
1227 2 51 SER H 2 52 GLU H 1.800 . 3.500 2.924 2.726 3.146 . 0 0 "[ . 1 . 2]" 1
1228 2 51 SER H 2 53 SER H 1.800 . 5.000 4.419 4.090 4.736 . 0 0 "[ . 1 . 2]" 1
1229 2 51 SER H 2 54 ARG QD 1.800 . 5.000 4.757 4.344 5.030 0.030 17 0 "[ . 1 . 2]" 1
1230 2 51 SER H 2 54 ARG HE 1.800 . 5.000 4.171 3.593 4.605 . 0 0 "[ . 1 . 2]" 1
1231 2 51 SER H 2 54 ARG QH 1.800 . 5.000 3.327 2.271 4.082 . 0 0 "[ . 1 . 2]" 1
1232 2 52 GLU HA 2 54 ARG H 1.800 . 5.000 4.186 3.864 4.531 . 0 0 "[ . 1 . 2]" 1
1233 2 52 GLU HA 2 55 GLN H 1.800 . 5.000 4.234 3.605 4.933 . 0 0 "[ . 1 . 2]" 1
1234 2 52 GLU H 2 53 SER H 1.800 . 3.500 2.673 2.363 2.942 . 0 0 "[ . 1 . 2]" 1
1235 2 52 GLU H 2 54 ARG H 1.800 . 5.000 3.882 3.621 4.121 . 0 0 "[ . 1 . 2]" 1
1236 2 53 SER HA 2 56 ALA MB 1.800 . 5.000 2.617 2.170 3.540 . 0 0 "[ . 1 . 2]" 1
1237 2 53 SER HA 2 56 ALA H 1.800 . 5.000 3.245 2.971 3.597 . 0 0 "[ . 1 . 2]" 1
1238 2 53 SER HA 2 57 VAL MG2 1.800 . 5.000 3.927 3.537 4.856 . 0 0 "[ . 1 . 2]" 1
1239 2 53 SER HA 2 57 VAL H 1.800 . 5.000 4.011 3.682 4.547 . 0 0 "[ . 1 . 2]" 1
1240 2 53 SER QB 2 56 ALA MB 1.800 . 5.000 3.645 2.933 4.332 . 0 0 "[ . 1 . 2]" 1
1241 2 53 SER QB 2 57 VAL MG2 1.800 . 5.000 3.074 2.206 3.895 . 0 0 "[ . 1 . 2]" 1
1242 2 53 SER QB 2 57 VAL H 1.800 . 5.000 4.273 3.828 4.887 . 0 0 "[ . 1 . 2]" 1
1243 2 53 SER H 2 54 ARG QB 1.800 . 5.000 4.266 3.776 4.716 . 0 0 "[ . 1 . 2]" 1
1244 2 53 SER H 2 54 ARG H 1.800 . 2.900 2.381 2.112 2.563 . 0 0 "[ . 1 . 2]" 1
1245 2 53 SER H 2 55 GLN H 1.800 . 5.000 4.488 4.234 4.868 . 0 0 "[ . 1 . 2]" 1
1246 2 54 ARG HA 2 56 ALA H 1.800 . 5.000 4.467 4.223 4.735 . 0 0 "[ . 1 . 2]" 1
1247 2 54 ARG HA 2 57 VAL MG1 1.800 . 5.000 4.360 3.669 4.938 . 0 0 "[ . 1 . 2]" 1
1248 2 54 ARG HA 2 57 VAL MG2 1.800 . 5.000 3.299 1.994 3.947 . 0 0 "[ . 1 . 2]" 1
1249 2 54 ARG HA 2 57 VAL H 1.800 . 5.000 3.721 3.358 4.143 . 0 0 "[ . 1 . 2]" 1
1250 2 54 ARG HA 2 58 ALA H 1.800 . 5.000 4.077 3.688 4.608 . 0 0 "[ . 1 . 2]" 1
1251 2 54 ARG H 2 55 GLN H 1.800 . 3.500 2.832 2.628 3.155 . 0 0 "[ . 1 . 2]" 1
1252 2 54 ARG H 2 56 ALA H 1.800 . 5.000 4.164 3.969 4.665 . 0 0 "[ . 1 . 2]" 1
1253 2 55 GLN HA 2 58 ALA MB 1.800 . 5.000 2.548 2.259 3.208 . 0 0 "[ . 1 . 2]" 1
1254 2 55 GLN HA 2 58 ALA H 1.800 . 5.000 3.509 3.214 4.038 . 0 0 "[ . 1 . 2]" 1
1255 2 55 GLN QG 2 58 ALA MB 1.800 . 5.000 4.019 3.103 4.997 . 0 0 "[ . 1 . 2]" 1
1256 2 55 GLN H 2 56 ALA MB 1.800 . 5.000 4.302 4.128 4.586 . 0 0 "[ . 1 . 2]" 1
1257 2 55 GLN H 2 56 ALA H 1.800 . 3.500 2.608 2.417 2.853 . 0 0 "[ . 1 . 2]" 1
1258 2 55 GLN H 2 57 VAL H 1.800 . 5.000 4.237 4.005 4.434 . 0 0 "[ . 1 . 2]" 1
1259 2 56 ALA HA 2 58 ALA H 1.800 . 5.000 4.421 4.224 4.590 . 0 0 "[ . 1 . 2]" 1
1260 2 56 ALA HA 2 59 GLU QB 1.800 . 5.000 2.934 2.255 3.792 . 0 0 "[ . 1 . 2]" 1
1261 2 56 ALA HA 2 59 GLU H 1.800 . 5.000 3.539 3.233 3.813 . 0 0 "[ . 1 . 2]" 1
1262 2 56 ALA HA 2 60 GLN H 1.800 . 5.000 4.210 3.726 4.510 . 0 0 "[ . 1 . 2]" 1
1263 2 56 ALA MB 2 57 VAL MG2 1.800 . 5.000 3.182 2.911 3.877 . 0 0 "[ . 1 . 2]" 1
1264 2 56 ALA MB 2 59 GLU QB 1.800 . 5.000 4.163 3.562 5.011 0.011 13 0 "[ . 1 . 2]" 1
1265 2 56 ALA MB 2 59 GLU QG 1.800 . 5.000 4.782 3.484 5.017 0.017 20 0 "[ . 1 . 2]" 1
1266 2 56 ALA MB 2 60 GLN QB 1.800 . 5.000 4.602 3.787 5.009 0.009 19 0 "[ . 1 . 2]" 1
1267 2 56 ALA MB 2 60 GLN QE 1.800 . 5.000 4.105 2.510 5.002 0.002 1 0 "[ . 1 . 2]" 1
1268 2 56 ALA H 2 57 VAL H 1.800 . 3.500 2.660 2.485 2.823 . 0 0 "[ . 1 . 2]" 1
1269 2 57 VAL HA 2 59 GLU H 1.800 . 5.000 4.430 4.163 4.649 . 0 0 "[ . 1 . 2]" 1
1270 2 57 VAL HA 2 60 GLN QB 1.800 . 5.000 2.674 2.218 3.965 . 0 0 "[ . 1 . 2]" 1
1271 2 57 VAL HA 2 60 GLN QG 1.800 . 5.000 3.898 1.964 4.734 . 0 0 "[ . 1 . 2]" 1
1272 2 57 VAL HA 2 60 GLN H 1.800 . 5.000 3.399 3.059 3.616 . 0 0 "[ . 1 . 2]" 1
1273 2 57 VAL HA 2 61 PHE H 1.800 . 5.000 3.809 3.477 3.999 . 0 0 "[ . 1 . 2]" 1
1274 2 57 VAL MG1 2 58 ALA MB 1.800 . 5.000 4.279 3.999 5.029 0.029 3 0 "[ . 1 . 2]" 1
1275 2 57 VAL MG1 2 60 GLN QB 1.800 . 5.000 3.690 3.223 4.912 . 0 0 "[ . 1 . 2]" 1
1276 2 57 VAL MG1 2 61 PHE H 1.800 . 5.000 3.859 3.579 5.015 0.015 3 0 "[ . 1 . 2]" 1
1277 2 57 VAL H 2 58 ALA H 1.800 . 3.500 2.618 2.484 2.696 . 0 0 "[ . 1 . 2]" 1
1278 2 57 VAL H 2 59 GLU H 1.800 . 5.000 4.212 3.972 4.401 . 0 0 "[ . 1 . 2]" 1
1279 2 58 ALA HA 2 61 PHE QB 1.800 . 5.000 2.581 2.195 2.923 . 0 0 "[ . 1 . 2]" 1
1280 2 58 ALA HA 2 61 PHE H 1.800 . 5.000 3.557 3.325 3.917 . 0 0 "[ . 1 . 2]" 1
1281 2 58 ALA HA 2 62 ALA H 1.800 . 5.000 3.894 3.669 4.146 . 0 0 "[ . 1 . 2]" 1
1282 2 58 ALA MB 2 60 GLN H 1.800 . 5.000 4.557 4.409 4.729 . 0 0 "[ . 1 . 2]" 1
1283 2 58 ALA MB 2 61 PHE QB 1.800 . 5.000 3.934 3.590 4.298 . 0 0 "[ . 1 . 2]" 1
1284 2 58 ALA MB 2 62 ALA MB 1.800 . 5.000 4.070 3.663 4.436 . 0 0 "[ . 1 . 2]" 1
1285 2 58 ALA MB 2 62 ALA H 1.800 . 5.000 4.494 4.275 4.659 . 0 0 "[ . 1 . 2]" 1
1286 2 58 ALA H 2 59 GLU QB 1.800 . 5.000 4.598 4.327 4.923 . 0 0 "[ . 1 . 2]" 1
1287 2 58 ALA H 2 59 GLU H 1.800 . 3.500 2.744 2.637 2.861 . 0 0 "[ . 1 . 2]" 1
1288 2 59 GLU HA 2 62 ALA MB 1.800 . 5.000 2.737 2.270 3.267 . 0 0 "[ . 1 . 2]" 1
1289 2 59 GLU HA 2 62 ALA H 1.800 . 5.000 3.597 3.233 4.028 . 0 0 "[ . 1 . 2]" 1
1290 2 59 GLU HA 2 63 LYS H 1.800 . 5.000 4.145 3.760 4.531 . 0 0 "[ . 1 . 2]" 1
1291 2 59 GLU QB 2 62 ALA MB 1.800 . 5.000 4.309 3.878 4.918 . 0 0 "[ . 1 . 2]" 1
1292 2 59 GLU QB 2 63 LYS QE 1.800 . 5.000 4.162 2.279 5.001 0.001 10 0 "[ . 1 . 2]" 1
1293 2 59 GLU QG 2 62 ALA MB 1.800 . 5.000 4.436 3.794 5.008 0.008 8 0 "[ . 1 . 2]" 1
1294 2 59 GLU H 2 60 GLN H 1.800 . 3.500 2.713 2.548 2.893 . 0 0 "[ . 1 . 2]" 1
1295 2 59 GLU H 2 61 PHE H 1.800 . 5.000 4.112 3.935 4.285 . 0 0 "[ . 1 . 2]" 1
1296 2 60 GLN HA 2 62 ALA H 1.800 . 5.000 4.516 4.271 4.679 . 0 0 "[ . 1 . 2]" 1
1297 2 60 GLN HA 2 63 LYS QD 1.800 . 5.000 3.534 1.869 5.015 0.015 14 0 "[ . 1 . 2]" 1
1298 2 60 GLN HA 2 63 LYS H 1.800 . 5.000 3.424 3.192 3.699 . 0 0 "[ . 1 . 2]" 1
1299 2 60 GLN HA 2 64 ALA H 1.800 . 5.000 4.058 3.846 4.419 . 0 0 "[ . 1 . 2]" 1
1300 2 60 GLN QB 2 62 ALA H 1.800 . 5.000 4.799 4.662 5.010 0.010 7 0 "[ . 1 . 2]" 1
1301 2 60 GLN QB 2 63 LYS H 1.800 . 5.000 4.878 4.650 5.010 0.010 11 0 "[ . 1 . 2]" 1
1302 2 60 GLN H 2 61 PHE QB 1.800 . 5.000 4.352 4.172 4.484 . 0 0 "[ . 1 . 2]" 1
1303 2 60 GLN H 2 62 ALA H 1.800 . 5.000 4.166 3.881 4.320 . 0 0 "[ . 1 . 2]" 1
1304 2 61 PHE HA 2 64 ALA MB 1.800 . 5.000 2.696 2.462 2.998 . 0 0 "[ . 1 . 2]" 1
1305 2 61 PHE HA 2 64 ALA H 1.800 . 5.000 3.458 3.322 3.551 . 0 0 "[ . 1 . 2]" 1
1306 2 61 PHE HA 2 65 LEU H 1.800 . 5.000 4.044 3.792 4.601 . 0 0 "[ . 1 . 2]" 1
1307 2 61 PHE QD 2 65 LEU QB 1.800 . 5.000 4.064 3.362 5.008 0.008 17 0 "[ . 1 . 2]" 1
1308 2 61 PHE QD 2 65 LEU MD1 1.800 . 5.000 3.787 2.726 4.509 . 0 0 "[ . 1 . 2]" 1
1309 2 61 PHE QE 2 64 ALA MB 1.800 . 5.000 4.968 4.750 5.006 0.006 13 0 "[ . 1 . 2]" 1
1310 2 61 PHE QE 2 65 LEU MD1 1.800 . 5.000 2.862 1.869 3.369 . 0 0 "[ . 1 . 2]" 1
1311 2 61 PHE H 2 62 ALA MB 1.800 . 5.000 4.337 4.193 4.423 . 0 0 "[ . 1 . 2]" 1
1312 2 61 PHE H 2 62 ALA H 1.800 . 3.500 2.702 2.525 2.772 . 0 0 "[ . 1 . 2]" 1
1313 2 61 PHE H 2 64 ALA H 1.800 . 5.000 4.692 4.489 4.901 . 0 0 "[ . 1 . 2]" 1
1314 2 61 PHE HZ 2 65 LEU MD1 1.800 . 5.000 3.065 2.675 3.858 . 0 0 "[ . 1 . 2]" 1
1315 2 62 ALA HA 2 65 LEU QB 1.800 . 5.000 2.838 2.464 3.664 . 0 0 "[ . 1 . 2]" 1
1316 2 62 ALA HA 2 65 LEU MD1 1.800 . 5.000 4.285 2.897 5.002 0.002 18 0 "[ . 1 . 2]" 1
1317 2 62 ALA HA 2 65 LEU MD2 1.800 . 5.000 3.446 2.925 3.995 . 0 0 "[ . 1 . 2]" 1
1318 2 62 ALA HA 2 65 LEU H 1.800 . 5.000 3.555 3.341 3.763 . 0 0 "[ . 1 . 2]" 1
1319 2 62 ALA HA 2 66 ALA H 1.800 . 5.000 3.971 3.709 4.384 . 0 0 "[ . 1 . 2]" 1
1320 2 62 ALA MB 2 65 LEU QB 1.800 . 5.000 4.063 3.768 4.617 . 0 0 "[ . 1 . 2]" 1
1321 2 62 ALA MB 2 65 LEU MD2 1.800 . 5.000 4.355 3.976 5.013 0.013 17 0 "[ . 1 . 2]" 1
1322 2 62 ALA H 2 63 LYS H 1.800 . 3.500 2.701 2.612 2.748 . 0 0 "[ . 1 . 2]" 1
1323 2 62 ALA H 2 64 ALA H 1.800 . 5.000 4.229 4.016 4.479 . 0 0 "[ . 1 . 2]" 1
1324 2 63 LYS HA 2 66 ALA MB 1.800 . 5.000 2.868 2.523 3.523 . 0 0 "[ . 1 . 2]" 1
1325 2 63 LYS HA 2 66 ALA H 1.800 . 5.000 3.654 3.265 4.178 . 0 0 "[ . 1 . 2]" 1
1326 2 63 LYS HA 2 67 GLN H 1.800 . 5.000 3.922 3.644 4.181 . 0 0 "[ . 1 . 2]" 1
1327 2 63 LYS H 2 64 ALA MB 1.800 . 5.000 4.351 4.215 4.494 . 0 0 "[ . 1 . 2]" 1
1328 2 63 LYS H 2 64 ALA H 1.800 . 3.500 2.694 2.528 2.883 . 0 0 "[ . 1 . 2]" 1
1329 2 63 LYS H 2 65 LEU H 1.800 . 5.000 4.140 3.869 4.384 . 0 0 "[ . 1 . 2]" 1
1330 2 64 ALA HA 2 67 GLN QB 1.800 . 5.000 2.735 2.193 3.907 . 0 0 "[ . 1 . 2]" 1
1331 2 64 ALA HA 2 67 GLN H 1.800 . 5.000 3.611 3.353 3.910 . 0 0 "[ . 1 . 2]" 1
1332 2 64 ALA HA 2 68 SER H 1.800 . 5.000 4.090 3.864 4.418 . 0 0 "[ . 1 . 2]" 1
1333 2 64 ALA H 2 65 LEU H 1.800 . 3.500 2.699 2.572 2.824 . 0 0 "[ . 1 . 2]" 1
1334 2 65 LEU HA 2 68 SER H 1.800 . 5.000 3.628 3.338 3.926 . 0 0 "[ . 1 . 2]" 1
1335 2 65 LEU QB 2 68 SER H 1.800 . 5.000 4.938 4.687 5.016 0.016 16 0 "[ . 1 . 2]" 1
1336 2 65 LEU MD1 2 69 VAL MG2 1.800 . 5.000 4.277 3.505 5.005 0.005 14 0 "[ . 1 . 2]" 1
1337 2 65 LEU H 2 66 ALA H 1.800 . 3.500 2.737 2.588 2.872 . 0 0 "[ . 1 . 2]" 1
1338 2 65 LEU H 2 67 GLN H 1.800 . 5.000 4.089 3.887 4.365 . 0 0 "[ . 1 . 2]" 1
1339 2 66 ALA HA 2 69 VAL HB 1.800 . 5.000 2.976 2.618 3.425 . 0 0 "[ . 1 . 2]" 1
1340 2 66 ALA HA 2 69 VAL MG2 1.800 . 5.000 3.126 2.517 3.721 . 0 0 "[ . 1 . 2]" 1
1341 2 66 ALA HA 2 69 VAL H 1.800 . 5.000 3.498 3.156 3.795 . 0 0 "[ . 1 . 2]" 1
1342 2 66 ALA HA 2 70 LYS H 1.800 . 5.000 4.018 3.686 4.195 . 0 0 "[ . 1 . 2]" 1
1343 2 66 ALA MB 2 69 VAL HB 1.800 . 5.000 4.229 3.712 4.714 . 0 0 "[ . 1 . 2]" 1
1344 2 66 ALA MB 2 70 LYS QB 1.800 . 5.000 4.199 3.436 4.753 . 0 0 "[ . 1 . 2]" 1
1345 2 66 ALA H 2 68 SER H 1.800 . 5.000 4.154 4.018 4.318 . 0 0 "[ . 1 . 2]" 1
1346 2 67 GLN HA 2 70 LYS QD 1.800 . 5.000 3.644 2.358 5.001 0.001 13 0 "[ . 1 . 2]" 1
1347 2 67 GLN HA 2 70 LYS H 1.800 . 5.000 3.410 2.633 3.721 . 0 0 "[ . 1 . 2]" 1
1348 2 67 GLN H 2 69 VAL H 1.800 . 5.000 4.179 3.973 4.481 . 0 0 "[ . 1 . 2]" 1
1349 2 68 SER HA 2 70 LYS H 1.800 . 5.000 4.565 4.401 5.007 0.007 13 0 "[ . 1 . 2]" 1
1350 2 68 SER H 2 69 VAL HB 1.800 . 5.000 4.870 4.755 5.001 0.001 9 0 "[ . 1 . 2]" 1
1351 2 68 SER H 2 69 VAL MG2 1.800 . 5.000 4.058 3.879 4.199 . 0 0 "[ . 1 . 2]" 1
1352 2 68 SER H 2 69 VAL H 1.800 . 3.500 2.627 2.492 2.767 . 0 0 "[ . 1 . 2]" 1
1353 2 68 SER H 2 70 LYS H 1.800 . 5.000 4.098 3.783 4.364 . 0 0 "[ . 1 . 2]" 1
1354 2 69 VAL HA 2 72 ASN QB 1.800 . 5.000 3.371 2.423 4.600 . 0 0 "[ . 1 . 2]" 1
1355 2 69 VAL HA 2 72 ASN QD 1.800 . 5.000 4.092 2.219 5.005 0.005 20 0 "[ . 1 . 2]" 1
1356 2 69 VAL H 2 70 LYS QB 1.800 . 5.000 4.488 4.123 4.986 . 0 0 "[ . 1 . 2]" 1
1357 2 69 VAL H 2 71 SER H 1.800 . 5.000 3.969 3.785 4.318 . 0 0 "[ . 1 . 2]" 1
1358 2 70 LYS HA 2 73 LEU QB 1.800 . 5.000 3.133 2.160 4.312 . 0 0 "[ . 1 . 2]" 1
1359 2 70 LYS HA 2 73 LEU MD1 1.800 . 5.000 3.311 2.082 5.007 0.007 8 0 "[ . 1 . 2]" 1
1360 2 71 SER HA 2 74 GLU QB 1.800 . 5.000 3.150 2.226 4.872 . 0 0 "[ . 1 . 2]" 1
1361 2 71 SER H 2 72 ASN QB 1.800 . 5.000 4.413 4.144 4.749 . 0 0 "[ . 1 . 2]" 1
1362 2 72 ASN H 2 73 LEU QB 1.800 . 5.000 4.427 4.012 4.726 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 81
_Distance_constraint_stats_list.Viol_total 7.769
_Distance_constraint_stats_list.Viol_max 0.017
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0048
_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 9 ASN 0.013 0.013 8 0 "[ . 1 . 2]"
1 10 THR 0.007 0.004 17 0 "[ . 1 . 2]"
1 11 GLN 0.013 0.006 7 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.013 0.013 8 0 "[ . 1 . 2]"
1 14 SER 0.022 0.008 7 0 "[ . 1 . 2]"
1 15 LEU 0.035 0.013 16 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.081 0.017 13 0 "[ . 1 . 2]"
1 19 ILE 0.089 0.014 19 0 "[ . 1 . 2]"
1 20 LEU 0.010 0.008 15 0 "[ . 1 . 2]"
1 21 VAL 0.031 0.006 5 0 "[ . 1 . 2]"
1 22 VAL 0.066 0.017 13 0 "[ . 1 . 2]"
1 23 LEU 0.067 0.014 19 0 "[ . 1 . 2]"
1 24 GLU 0.010 0.008 15 0 "[ . 1 . 2]"
1 25 LYS 0.031 0.006 5 0 "[ . 1 . 2]"
1 31 ASP 0.027 0.013 5 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 MET 0.027 0.013 5 0 "[ . 1 . 2]"
1 36 ALA 0.005 0.003 20 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.005 0.003 20 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 0.008 0.008 6 0 "[ . 1 . 2]"
1 56 ALA 0.005 0.005 12 0 "[ . 1 . 2]"
1 57 VAL 0.030 0.007 10 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.021 0.013 18 0 "[ . 1 . 2]"
1 60 GLN 0.011 0.005 18 0 "[ . 1 . 2]"
1 61 PHE 0.033 0.007 10 0 "[ . 1 . 2]"
1 62 ALA 0.008 0.005 7 0 "[ . 1 . 2]"
1 63 LYS 0.013 0.013 18 0 "[ . 1 . 2]"
1 64 ALA 0.009 0.005 18 0 "[ . 1 . 2]"
1 65 LEU 0.039 0.013 12 0 "[ . 1 . 2]"
1 66 ALA 0.008 0.005 7 0 "[ . 1 . 2]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 0.003 0.003 20 0 "[ . 1 . 2]"
1 69 VAL 0.036 0.013 12 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 9 ASN O 1 13 GLU H 1.700 . 2.300 1.939 1.732 2.296 . 0 0 "[ . 1 . 2]" 2
2 1 9 ASN O 1 13 GLU N 2.700 2.700 3.300 2.890 2.687 3.226 0.013 8 0 "[ . 1 . 2]" 2
3 1 10 THR O 1 14 SER H 1.700 . 2.300 1.995 1.766 2.304 0.004 17 0 "[ . 1 . 2]" 2
4 1 10 THR O 1 14 SER N 2.700 2.700 3.300 2.911 2.727 3.235 . 0 0 "[ . 1 . 2]" 2
5 1 11 GLN O 1 15 LEU H 1.700 . 2.300 2.094 1.805 2.306 0.006 7 0 "[ . 1 . 2]" 2
6 1 11 GLN O 1 15 LEU N 2.700 2.700 3.300 3.005 2.747 3.249 . 0 0 "[ . 1 . 2]" 2
7 1 12 VAL O 1 16 ILE H 1.700 . 2.300 1.932 1.795 2.139 . 0 0 "[ . 1 . 2]" 2
8 1 12 VAL O 1 16 ILE N 2.700 2.700 3.300 2.904 2.770 3.105 . 0 0 "[ . 1 . 2]" 2
9 1 13 GLU O 1 17 ALA H 1.700 . 2.300 1.928 1.770 2.159 . 0 0 "[ . 1 . 2]" 2
10 1 13 GLU O 1 17 ALA N 2.700 2.700 3.300 2.867 2.702 3.023 . 0 0 "[ . 1 . 2]" 2
11 1 14 SER O 1 18 GLU H 1.700 . 2.300 2.148 1.919 2.308 0.008 7 0 "[ . 1 . 2]" 2
12 1 14 SER O 1 18 GLU N 2.700 2.700 3.300 3.036 2.795 3.241 . 0 0 "[ . 1 . 2]" 2
13 1 15 LEU O 1 19 ILE H 1.700 . 2.300 2.145 1.927 2.313 0.013 16 0 "[ . 1 . 2]" 2
14 1 15 LEU O 1 19 ILE N 2.700 2.700 3.300 3.091 2.881 3.287 . 0 0 "[ . 1 . 2]" 2
15 1 16 ILE O 1 20 LEU H 1.700 . 2.300 2.037 1.813 2.269 . 0 0 "[ . 1 . 2]" 2
16 1 16 ILE O 1 20 LEU N 2.700 2.700 3.300 2.967 2.773 3.210 . 0 0 "[ . 1 . 2]" 2
17 1 17 ALA O 1 21 VAL H 1.700 . 2.300 2.010 1.861 2.257 . 0 0 "[ . 1 . 2]" 2
18 1 17 ALA O 1 21 VAL N 2.700 2.700 3.300 2.892 2.764 3.080 . 0 0 "[ . 1 . 2]" 2
19 1 18 GLU O 1 22 VAL H 1.700 . 2.300 2.204 1.855 2.317 0.017 13 0 "[ . 1 . 2]" 2
20 1 18 GLU O 1 22 VAL N 2.700 2.700 3.300 3.095 2.777 3.254 . 0 0 "[ . 1 . 2]" 2
21 1 19 ILE O 1 23 LEU H 1.700 . 2.300 2.234 2.035 2.314 0.014 19 0 "[ . 1 . 2]" 2
22 1 19 ILE O 1 23 LEU N 2.700 2.700 3.300 3.203 3.005 3.297 . 0 0 "[ . 1 . 2]" 2
23 1 20 LEU O 1 24 GLU H 1.700 . 2.300 1.878 1.744 2.014 . 0 0 "[ . 1 . 2]" 2
24 1 20 LEU O 1 24 GLU N 2.700 2.700 3.300 2.823 2.692 2.982 0.008 15 0 "[ . 1 . 2]" 2
25 1 21 VAL O 1 25 LYS H 1.700 . 2.300 1.883 1.760 2.004 . 0 0 "[ . 1 . 2]" 2
26 1 21 VAL O 1 25 LYS N 2.700 2.700 3.300 2.730 2.694 2.823 0.006 5 0 "[ . 1 . 2]" 2
27 1 31 ASP O 1 35 MET H 1.700 . 2.300 2.206 1.926 2.313 0.013 5 0 "[ . 1 . 2]" 2
28 1 31 ASP O 1 35 MET N 2.700 2.700 3.300 3.118 2.879 3.278 . 0 0 "[ . 1 . 2]" 2
29 1 32 LEU O 1 36 ALA H 1.700 . 2.300 1.926 1.764 2.074 . 0 0 "[ . 1 . 2]" 2
30 1 32 LEU O 1 36 ALA N 2.700 2.700 3.300 2.873 2.724 3.046 . 0 0 "[ . 1 . 2]" 2
31 1 33 SER O 1 37 LEU H 1.700 . 2.300 1.892 1.752 2.092 . 0 0 "[ . 1 . 2]" 2
32 1 33 SER O 1 37 LEU N 2.700 2.700 3.300 2.859 2.715 3.056 . 0 0 "[ . 1 . 2]" 2
33 1 34 LEU O 1 38 GLY H 1.700 . 2.300 1.947 1.810 2.101 . 0 0 "[ . 1 . 2]" 2
34 1 34 LEU O 1 38 GLY N 2.700 2.700 3.300 2.867 2.746 3.063 . 0 0 "[ . 1 . 2]" 2
35 1 36 ALA O 1 40 CYS H 1.700 . 2.300 2.072 1.852 2.303 0.003 20 0 "[ . 1 . 2]" 2
36 1 36 ALA O 1 40 CYS N 2.700 2.700 3.300 2.966 2.769 3.225 . 0 0 "[ . 1 . 2]" 2
37 1 37 LEU O 1 41 VAL H 1.700 . 2.300 2.003 1.733 2.297 . 0 0 "[ . 1 . 2]" 2
38 1 37 LEU O 1 41 VAL N 2.700 2.700 3.300 2.945 2.730 3.235 . 0 0 "[ . 1 . 2]" 2
39 1 55 GLN O 1 59 GLU H 1.700 . 2.300 2.084 1.806 2.308 0.008 6 0 "[ . 1 . 2]" 2
40 1 55 GLN O 1 59 GLU N 2.700 2.700 3.300 3.014 2.754 3.246 . 0 0 "[ . 1 . 2]" 2
41 1 56 ALA O 1 60 GLN H 1.700 . 2.300 2.031 1.776 2.305 0.005 12 0 "[ . 1 . 2]" 2
42 1 56 ALA O 1 60 GLN N 2.700 2.700 3.300 2.988 2.736 3.269 . 0 0 "[ . 1 . 2]" 2
43 1 57 VAL O 1 61 PHE H 1.700 . 2.300 1.799 1.721 1.910 . 0 0 "[ . 1 . 2]" 2
44 1 57 VAL O 1 61 PHE N 2.700 2.700 3.300 2.731 2.693 2.838 0.007 10 0 "[ . 1 . 2]" 2
45 1 58 ALA O 1 62 ALA H 1.700 . 2.300 1.993 1.859 2.195 . 0 0 "[ . 1 . 2]" 2
46 1 58 ALA O 1 62 ALA N 2.700 2.700 3.300 2.922 2.811 3.087 . 0 0 "[ . 1 . 2]" 2
47 1 59 GLU O 1 63 LYS H 1.700 . 2.300 2.084 1.790 2.313 0.013 18 0 "[ . 1 . 2]" 2
48 1 59 GLU O 1 63 LYS N 2.700 2.700 3.300 3.004 2.744 3.246 . 0 0 "[ . 1 . 2]" 2
49 1 60 GLN O 1 64 ALA H 1.700 . 2.300 1.930 1.732 2.170 . 0 0 "[ . 1 . 2]" 2
50 1 60 GLN O 1 64 ALA N 2.700 2.700 3.300 2.859 2.695 3.120 0.005 18 0 "[ . 1 . 2]" 2
51 1 61 PHE O 1 65 LEU H 1.700 . 2.300 1.899 1.748 2.245 . 0 0 "[ . 1 . 2]" 2
52 1 61 PHE O 1 65 LEU N 2.700 2.700 3.300 2.832 2.697 3.171 0.003 2 0 "[ . 1 . 2]" 2
53 1 62 ALA O 1 66 ALA H 1.700 . 2.300 2.026 1.825 2.305 0.005 7 0 "[ . 1 . 2]" 2
54 1 62 ALA O 1 66 ALA N 2.700 2.700 3.300 2.990 2.788 3.251 . 0 0 "[ . 1 . 2]" 2
55 1 63 LYS O 1 67 GLN H 1.700 . 2.300 1.980 1.789 2.195 . 0 0 "[ . 1 . 2]" 2
56 1 63 LYS O 1 67 GLN N 2.700 2.700 3.300 2.885 2.705 3.092 . 0 0 "[ . 1 . 2]" 2
57 1 64 ALA O 1 68 SER H 1.700 . 2.300 2.022 1.842 2.303 0.003 20 0 "[ . 1 . 2]" 2
58 1 64 ALA O 1 68 SER N 2.700 2.700 3.300 2.904 2.773 3.221 . 0 0 "[ . 1 . 2]" 2
59 1 65 LEU O 1 69 VAL H 1.700 . 2.300 2.188 1.825 2.313 0.013 12 0 "[ . 1 . 2]" 2
60 1 65 LEU O 1 69 VAL N 2.700 2.700 3.300 3.098 2.784 3.258 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 76
_Distance_constraint_stats_list.Viol_total 6.096
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0040
_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
2 9 ASN 0.004 0.004 2 0 "[ . 1 . 2]"
2 10 THR 0.003 0.003 4 0 "[ . 1 . 2]"
2 11 GLN 0.003 0.003 10 0 "[ . 1 . 2]"
2 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 GLU 0.005 0.004 2 0 "[ . 1 . 2]"
2 14 SER 0.003 0.003 4 0 "[ . 1 . 2]"
2 15 LEU 0.034 0.009 18 0 "[ . 1 . 2]"
2 16 ILE 0.002 0.002 4 0 "[ . 1 . 2]"
2 17 ALA 0.000 0.000 5 0 "[ . 1 . 2]"
2 18 GLU 0.033 0.007 8 0 "[ . 1 . 2]"
2 19 ILE 0.083 0.016 18 0 "[ . 1 . 2]"
2 20 LEU 0.005 0.002 4 0 "[ . 1 . 2]"
2 21 VAL 0.027 0.008 9 0 "[ . 1 . 2]"
2 22 VAL 0.033 0.007 8 0 "[ . 1 . 2]"
2 23 LEU 0.053 0.016 18 0 "[ . 1 . 2]"
2 24 GLU 0.002 0.002 4 0 "[ . 1 . 2]"
2 25 LYS 0.027 0.008 9 0 "[ . 1 . 2]"
2 31 ASP 0.014 0.006 17 0 "[ . 1 . 2]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 MET 0.014 0.006 17 0 "[ . 1 . 2]"
2 36 ALA 0.007 0.006 13 0 "[ . 1 . 2]"
2 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 CYS 0.007 0.006 13 0 "[ . 1 . 2]"
2 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ARG 0.022 0.015 17 0 "[ . 1 . 2]"
2 55 GLN 0.004 0.003 1 0 "[ . 1 . 2]"
2 56 ALA 0.004 0.002 13 0 "[ . 1 . 2]"
2 57 VAL 0.039 0.007 9 0 "[ . 1 . 2]"
2 58 ALA 0.022 0.015 17 0 "[ . 1 . 2]"
2 59 GLU 0.007 0.003 14 0 "[ . 1 . 2]"
2 60 GLN 0.004 0.002 13 0 "[ . 1 . 2]"
2 61 PHE 0.049 0.010 17 0 "[ . 1 . 2]"
2 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LYS 0.003 0.003 14 0 "[ . 1 . 2]"
2 64 ALA 0.003 0.003 17 0 "[ . 1 . 2]"
2 65 LEU 0.050 0.012 7 0 "[ . 1 . 2]"
2 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 SER 0.003 0.003 17 0 "[ . 1 . 2]"
2 69 VAL 0.039 0.012 7 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 2 9 ASN O 2 13 GLU H 1.700 . 2.300 1.979 1.750 2.304 0.004 2 0 "[ . 1 . 2]" 3
2 2 9 ASN O 2 13 GLU N 2.700 2.700 3.300 2.929 2.719 3.238 . 0 0 "[ . 1 . 2]" 3
3 2 10 THR O 2 14 SER H 1.700 . 2.300 2.032 1.816 2.303 0.003 4 0 "[ . 1 . 2]" 3
4 2 10 THR O 2 14 SER N 2.700 2.700 3.300 2.936 2.746 3.210 . 0 0 "[ . 1 . 2]" 3
5 2 11 GLN O 2 15 LEU H 1.700 . 2.300 2.093 1.884 2.303 0.003 10 0 "[ . 1 . 2]" 3
6 2 11 GLN O 2 15 LEU N 2.700 2.700 3.300 2.991 2.819 3.197 . 0 0 "[ . 1 . 2]" 3
7 2 12 VAL O 2 16 ILE H 1.700 . 2.300 1.993 1.804 2.278 . 0 0 "[ . 1 . 2]" 3
8 2 12 VAL O 2 16 ILE N 2.700 2.700 3.300 2.963 2.768 3.239 . 0 0 "[ . 1 . 2]" 3
9 2 13 GLU O 2 17 ALA H 1.700 . 2.300 2.012 1.855 2.300 0.000 5 0 "[ . 1 . 2]" 3
10 2 13 GLU O 2 17 ALA N 2.700 2.700 3.300 2.946 2.796 3.242 . 0 0 "[ . 1 . 2]" 3
11 2 14 SER O 2 18 GLU H 1.700 . 2.300 2.082 1.856 2.298 . 0 0 "[ . 1 . 2]" 3
12 2 14 SER O 2 18 GLU N 2.700 2.700 3.300 2.975 2.787 3.184 . 0 0 "[ . 1 . 2]" 3
13 2 15 LEU O 2 19 ILE H 1.700 . 2.300 2.135 1.723 2.309 0.009 18 0 "[ . 1 . 2]" 3
14 2 15 LEU O 2 19 ILE N 2.700 2.700 3.300 3.081 2.701 3.260 . 0 0 "[ . 1 . 2]" 3
15 2 16 ILE O 2 20 LEU H 1.700 . 2.300 2.078 1.909 2.302 0.002 4 0 "[ . 1 . 2]" 3
16 2 16 ILE O 2 20 LEU N 2.700 2.700 3.300 3.003 2.845 3.249 . 0 0 "[ . 1 . 2]" 3
17 2 17 ALA O 2 21 VAL H 1.700 . 2.300 1.976 1.791 2.267 . 0 0 "[ . 1 . 2]" 3
18 2 17 ALA O 2 21 VAL N 2.700 2.700 3.300 2.872 2.703 3.112 . 0 0 "[ . 1 . 2]" 3
19 2 18 GLU O 2 22 VAL H 1.700 . 2.300 2.214 1.828 2.307 0.007 8 0 "[ . 1 . 2]" 3
20 2 18 GLU O 2 22 VAL N 2.700 2.700 3.300 3.128 2.749 3.247 . 0 0 "[ . 1 . 2]" 3
21 2 19 ILE O 2 23 LEU H 1.700 . 2.300 2.232 2.020 2.316 0.016 18 0 "[ . 1 . 2]" 3
22 2 19 ILE O 2 23 LEU N 2.700 2.700 3.300 3.202 3.006 3.288 . 0 0 "[ . 1 . 2]" 3
23 2 20 LEU O 2 24 GLU H 1.700 . 2.300 1.925 1.745 2.207 . 0 0 "[ . 1 . 2]" 3
24 2 20 LEU O 2 24 GLU N 2.700 2.700 3.300 2.864 2.698 3.130 0.002 4 0 "[ . 1 . 2]" 3
25 2 21 VAL O 2 25 LYS H 1.700 . 2.300 1.945 1.737 2.294 . 0 0 "[ . 1 . 2]" 3
26 2 21 VAL O 2 25 LYS N 2.700 2.700 3.300 2.776 2.692 3.192 0.008 9 0 "[ . 1 . 2]" 3
27 2 31 ASP O 2 35 MET H 1.700 . 2.300 2.138 1.896 2.306 0.006 17 0 "[ . 1 . 2]" 3
28 2 31 ASP O 2 35 MET N 2.700 2.700 3.300 3.042 2.815 3.235 . 0 0 "[ . 1 . 2]" 3
29 2 32 LEU O 2 36 ALA H 1.700 . 2.300 1.956 1.787 2.154 . 0 0 "[ . 1 . 2]" 3
30 2 32 LEU O 2 36 ALA N 2.700 2.700 3.300 2.899 2.756 3.100 . 0 0 "[ . 1 . 2]" 3
31 2 33 SER O 2 37 LEU H 1.700 . 2.300 1.922 1.777 2.175 . 0 0 "[ . 1 . 2]" 3
32 2 33 SER O 2 37 LEU N 2.700 2.700 3.300 2.889 2.748 3.152 . 0 0 "[ . 1 . 2]" 3
33 2 34 LEU O 2 38 GLY H 1.700 . 2.300 1.902 1.823 2.000 . 0 0 "[ . 1 . 2]" 3
34 2 34 LEU O 2 38 GLY N 2.700 2.700 3.300 2.815 2.751 2.927 . 0 0 "[ . 1 . 2]" 3
35 2 36 ALA O 2 40 CYS H 1.700 . 2.300 2.081 1.875 2.306 0.006 13 0 "[ . 1 . 2]" 3
36 2 36 ALA O 2 40 CYS N 2.700 2.700 3.300 2.946 2.789 3.175 . 0 0 "[ . 1 . 2]" 3
37 2 37 LEU O 2 41 VAL H 1.700 . 2.300 1.959 1.747 2.241 . 0 0 "[ . 1 . 2]" 3
38 2 37 LEU O 2 41 VAL N 2.700 2.700 3.300 2.914 2.715 3.163 . 0 0 "[ . 1 . 2]" 3
39 2 54 ARG O 2 58 ALA H 1.700 . 2.300 2.057 1.836 2.315 0.015 17 0 "[ . 1 . 2]" 3
40 2 54 ARG O 2 58 ALA N 2.700 2.700 3.300 2.964 2.765 3.277 . 0 0 "[ . 1 . 2]" 3
41 2 55 GLN O 2 59 GLU H 1.700 . 2.300 2.054 1.820 2.303 0.003 1 0 "[ . 1 . 2]" 3
42 2 55 GLN O 2 59 GLU N 2.700 2.700 3.300 2.984 2.769 3.200 . 0 0 "[ . 1 . 2]" 3
43 2 56 ALA O 2 60 GLN H 1.700 . 2.300 2.107 1.805 2.302 0.002 13 0 "[ . 1 . 2]" 3
44 2 56 ALA O 2 60 GLN N 2.700 2.700 3.300 3.049 2.710 3.254 . 0 0 "[ . 1 . 2]" 3
45 2 57 VAL O 2 61 PHE H 1.700 . 2.300 1.792 1.732 2.036 . 0 0 "[ . 1 . 2]" 3
46 2 57 VAL O 2 61 PHE N 2.700 2.700 3.300 2.726 2.693 2.983 0.007 9 0 "[ . 1 . 2]" 3
47 2 58 ALA O 2 62 ALA H 1.700 . 2.300 1.913 1.806 2.081 . 0 0 "[ . 1 . 2]" 3
48 2 58 ALA O 2 62 ALA N 2.700 2.700 3.300 2.857 2.705 3.004 . 0 0 "[ . 1 . 2]" 3
49 2 59 GLU O 2 63 LYS H 1.700 . 2.300 2.061 1.790 2.303 0.003 14 0 "[ . 1 . 2]" 3
50 2 59 GLU O 2 63 LYS N 2.700 2.700 3.300 2.969 2.708 3.227 . 0 0 "[ . 1 . 2]" 3
51 2 60 GLN O 2 64 ALA H 1.700 . 2.300 1.952 1.828 2.260 . 0 0 "[ . 1 . 2]" 3
52 2 60 GLN O 2 64 ALA N 2.700 2.700 3.300 2.886 2.729 3.178 . 0 0 "[ . 1 . 2]" 3
53 2 61 PHE O 2 65 LEU H 1.700 . 2.300 1.939 1.785 2.310 0.010 17 0 "[ . 1 . 2]" 3
54 2 61 PHE O 2 65 LEU N 2.700 2.700 3.300 2.877 2.719 3.258 . 0 0 "[ . 1 . 2]" 3
55 2 62 ALA O 2 66 ALA H 1.700 . 2.300 2.009 1.813 2.299 . 0 0 "[ . 1 . 2]" 3
56 2 62 ALA O 2 66 ALA N 2.700 2.700 3.300 2.970 2.771 3.254 . 0 0 "[ . 1 . 2]" 3
57 2 63 LYS O 2 67 GLN H 1.700 . 2.300 1.894 1.797 2.026 . 0 0 "[ . 1 . 2]" 3
58 2 63 LYS O 2 67 GLN N 2.700 2.700 3.300 2.822 2.705 2.968 . 0 0 "[ . 1 . 2]" 3
59 2 64 ALA O 2 68 SER H 1.700 . 2.300 2.088 1.878 2.303 0.003 17 0 "[ . 1 . 2]" 3
60 2 64 ALA O 2 68 SER N 2.700 2.700 3.300 2.967 2.759 3.214 . 0 0 "[ . 1 . 2]" 3
61 2 65 LEU O 2 69 VAL H 1.700 . 2.300 2.207 1.874 2.312 0.012 7 0 "[ . 1 . 2]" 3
62 2 65 LEU O 2 69 VAL N 2.700 2.700 3.300 3.119 2.844 3.252 . 0 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 6:27:26 AM GMT (wattos1)