NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598438 |
2myj   |
25454 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2myj
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 1401
_Distance_constraint_stats_list.Viol_count 3483
_Distance_constraint_stats_list.Viol_total 3007.406
_Distance_constraint_stats_list.Viol_max 0.933
_Distance_constraint_stats_list.Viol_rms 0.0223
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 1 ALA 0.584 0.092 17 0 "[ . 1 . 2]"
1 2 ASN 0.149 0.028 17 0 "[ . 1 . 2]"
1 3 GLU 2.013 0.107 10 0 "[ . 1 . 2]"
1 4 SER 0.881 0.055 20 0 "[ . 1 . 2]"
1 5 ALA 0.421 0.053 15 0 "[ . 1 . 2]"
1 6 LYS 2.788 0.139 4 0 "[ . 1 . 2]"
1 7 ASP 0.068 0.024 15 0 "[ . 1 . 2]"
1 8 MET 0.748 0.059 14 0 "[ . 1 . 2]"
1 9 THR 1.039 0.056 17 0 "[ . 1 . 2]"
1 10 CYS 0.107 0.025 8 0 "[ . 1 . 2]"
1 11 GLN 1.998 0.056 17 0 "[ . 1 . 2]"
1 12 GLU 2.718 0.098 1 0 "[ . 1 . 2]"
1 13 PHE 0.090 0.013 16 0 "[ . 1 . 2]"
1 14 ILE 1.868 0.060 10 0 "[ . 1 . 2]"
1 15 ASP 0.405 0.028 16 0 "[ . 1 . 2]"
1 16 LEU 0.183 0.021 15 0 "[ . 1 . 2]"
1 17 ASN 0.228 0.040 13 0 "[ . 1 . 2]"
1 18 PRO 0.604 0.060 16 0 "[ . 1 . 2]"
1 19 LYS 3.895 0.102 6 0 "[ . 1 . 2]"
1 20 ALA 1.429 0.098 19 0 "[ . 1 . 2]"
1 21 MET 0.932 0.099 16 0 "[ . 1 . 2]"
1 22 THR 1.875 0.135 12 0 "[ . 1 . 2]"
1 23 PRO 2.630 0.098 3 0 "[ . 1 . 2]"
1 24 VAL 4.456 0.102 2 0 "[ . 1 . 2]"
1 25 ALA 0.822 0.052 11 0 "[ . 1 . 2]"
1 26 TRP 1.951 0.118 2 0 "[ . 1 . 2]"
1 27 TRP 0.564 0.118 2 0 "[ . 1 . 2]"
1 28 MET 0.276 0.059 2 0 "[ . 1 . 2]"
1 29 LEU 1.341 0.069 16 0 "[ . 1 . 2]"
1 30 HIS 1.060 0.135 4 0 "[ . 1 . 2]"
1 31 GLU 0.151 0.036 8 0 "[ . 1 . 2]"
1 32 GLU 0.049 0.033 13 0 "[ . 1 . 2]"
1 33 THR 0.137 0.033 13 0 "[ . 1 . 2]"
1 34 VAL 0.229 0.047 19 0 "[ . 1 . 2]"
1 35 TYR 1.023 0.105 19 0 "[ . 1 . 2]"
1 36 LYS 0.550 0.069 5 0 "[ . 1 . 2]"
1 37 GLY 0.251 0.069 5 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.037 0.037 18 0 "[ . 1 . 2]"
1 41 VAL 0.248 0.045 11 0 "[ . 1 . 2]"
1 42 THR 0.637 0.079 16 0 "[ . 1 . 2]"
1 43 LEU 0.056 0.039 9 0 "[ . 1 . 2]"
1 44 ASN 0.220 0.089 6 0 "[ . 1 . 2]"
1 45 GLU 0.112 0.022 12 0 "[ . 1 . 2]"
1 46 THR 0.112 0.022 12 0 "[ . 1 . 2]"
1 47 ASP 0.006 0.006 7 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.200 0.016 13 0 "[ . 1 . 2]"
1 50 GLN 0.528 0.045 11 0 "[ . 1 . 2]"
1 51 ILE 1.509 0.066 3 0 "[ . 1 . 2]"
1 52 PRO 0.065 0.011 14 0 "[ . 1 . 2]"
1 53 LYS 3.150 0.072 15 0 "[ . 1 . 2]"
1 54 VAL 3.107 0.103 17 0 "[ . 1 . 2]"
1 55 ILE 0.960 0.055 18 0 "[ . 1 . 2]"
1 56 GLU 1.675 0.055 18 0 "[ . 1 . 2]"
1 57 TYR 1.736 0.064 18 0 "[ . 1 . 2]"
1 58 CYS 0.325 0.033 4 0 "[ . 1 . 2]"
1 59 LYS 0.926 0.046 20 0 "[ . 1 . 2]"
1 60 LYS 3.211 0.064 18 0 "[ . 1 . 2]"
1 61 ASN 0.906 0.063 9 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLN 2.477 0.102 3 0 "[ . 1 . 2]"
1 64 LYS 2.005 0.063 9 0 "[ . 1 . 2]"
1 65 ASN 1.794 0.106 6 0 "[ . 1 . 2]"
1 66 LEU 0.725 0.059 14 0 "[ . 1 . 2]"
1 67 TYR 0.405 0.064 3 0 "[ . 1 . 2]"
1 68 THR 3.891 0.106 6 0 "[ . 1 . 2]"
1 69 PHE 0.849 0.064 3 0 "[ . 1 . 2]"
1 70 LYS 1.437 0.135 4 0 "[ . 1 . 2]"
1 71 ASN 2.606 0.051 12 0 "[ . 1 . 2]"
1 72 GLN 2.784 0.055 17 0 "[ . 1 . 2]"
1 73 ALA 1.319 0.055 11 0 "[ . 1 . 2]"
1 74 SER 0.405 0.052 4 0 "[ . 1 . 2]"
1 75 ASN 1.086 0.128 8 0 "[ . 1 . 2]"
1 76 ASP 1.611 0.113 15 0 "[ . 1 . 2]"
1 77 LEU 0.562 0.065 9 0 "[ . 1 . 2]"
1 78 PRO 0.021 0.021 4 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ALA 1.141 0.160 16 0 "[ . 1 . 2]"
2 2 ASN 0.904 0.265 5 0 "[ . 1 . 2]"
2 3 GLU 3.870 0.265 5 0 "[ . 1 . 2]"
2 4 SER 2.390 0.119 1 0 "[ . 1 . 2]"
2 5 ALA 0.723 0.057 16 0 "[ . 1 . 2]"
2 6 LYS 5.598 0.228 3 0 "[ . 1 . 2]"
2 7 ASP 0.242 0.033 17 0 "[ . 1 . 2]"
2 8 MET 1.504 0.099 18 0 "[ . 1 . 2]"
2 9 THR 0.938 0.059 16 0 "[ . 1 . 2]"
2 10 CYS 0.425 0.050 18 0 "[ . 1 . 2]"
2 11 GLN 1.996 0.097 6 0 "[ . 1 . 2]"
2 12 GLU 4.193 0.122 9 0 "[ . 1 . 2]"
2 13 PHE 0.907 0.074 9 0 "[ . 1 . 2]"
2 14 ILE 2.682 0.095 14 0 "[ . 1 . 2]"
2 15 ASP 0.961 0.084 5 0 "[ . 1 . 2]"
2 16 LEU 1.361 0.085 14 0 "[ . 1 . 2]"
2 17 ASN 0.589 0.052 11 0 "[ . 1 . 2]"
2 18 PRO 0.789 0.075 17 0 "[ . 1 . 2]"
2 19 LYS 5.199 0.145 10 0 "[ . 1 . 2]"
2 20 ALA 1.571 0.107 19 0 "[ . 1 . 2]"
2 21 MET 1.684 0.144 17 0 "[ . 1 . 2]"
2 22 THR 2.762 0.144 17 0 "[ . 1 . 2]"
2 23 PRO 4.208 0.138 20 0 "[ . 1 . 2]"
2 24 VAL 6.647 0.186 2 0 "[ . 1 . 2]"
2 25 ALA 1.120 0.077 18 0 "[ . 1 . 2]"
2 26 TRP 3.532 0.186 2 0 "[ . 1 . 2]"
2 27 TRP 0.789 0.133 10 0 "[ . 1 . 2]"
2 28 MET 0.732 0.133 10 0 "[ . 1 . 2]"
2 29 LEU 2.558 0.121 15 0 "[ . 1 . 2]"
2 30 HIS 2.209 0.202 7 0 "[ . 1 . 2]"
2 31 GLU 0.576 0.092 16 0 "[ . 1 . 2]"
2 32 GLU 0.120 0.065 12 0 "[ . 1 . 2]"
2 33 THR 0.495 0.092 16 0 "[ . 1 . 2]"
2 34 VAL 7.593 0.933 11 7 "[ ** *1+ - ** 2]"
2 35 TYR 8.850 0.933 11 7 "[ ** *1+ - ** 2]"
2 36 LYS 1.013 0.194 1 0 "[ . 1 . 2]"
2 37 GLY 0.150 0.099 4 0 "[ . 1 . 2]"
2 38 GLY 0.010 0.010 9 0 "[ . 1 . 2]"
2 39 ASP 0.170 0.110 9 0 "[ . 1 . 2]"
2 40 THR 0.170 0.110 9 0 "[ . 1 . 2]"
2 41 VAL 0.494 0.136 14 0 "[ . 1 . 2]"
2 42 THR 1.045 0.136 14 0 "[ . 1 . 2]"
2 43 LEU 0.212 0.076 8 0 "[ . 1 . 2]"
2 44 ASN 0.314 0.081 12 0 "[ . 1 . 2]"
2 45 GLU 0.060 0.018 4 0 "[ . 1 . 2]"
2 46 THR 0.060 0.018 4 0 "[ . 1 . 2]"
2 47 ASP 0.008 0.008 4 0 "[ . 1 . 2]"
2 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 THR 0.251 0.028 10 0 "[ . 1 . 2]"
2 50 GLN 1.157 0.095 3 0 "[ . 1 . 2]"
2 51 ILE 2.238 0.121 15 0 "[ . 1 . 2]"
2 52 PRO 0.265 0.021 6 0 "[ . 1 . 2]"
2 53 LYS 5.012 0.128 7 0 "[ . 1 . 2]"
2 54 VAL 4.413 0.173 16 0 "[ . 1 . 2]"
2 55 ILE 1.384 0.078 4 0 "[ . 1 . 2]"
2 56 GLU 2.111 0.078 4 0 "[ . 1 . 2]"
2 57 TYR 2.614 0.102 12 0 "[ . 1 . 2]"
2 58 CYS 0.886 0.075 4 0 "[ . 1 . 2]"
2 59 LYS 1.870 0.099 5 0 "[ . 1 . 2]"
2 60 LYS 5.262 0.103 2 0 "[ . 1 . 2]"
2 61 ASN 1.403 0.085 4 0 "[ . 1 . 2]"
2 62 PRO 0.049 0.012 5 0 "[ . 1 . 2]"
2 63 GLN 3.559 0.120 8 0 "[ . 1 . 2]"
2 64 LYS 3.500 0.093 3 0 "[ . 1 . 2]"
2 65 ASN 3.274 0.233 1 0 "[ . 1 . 2]"
2 66 LEU 1.388 0.099 18 0 "[ . 1 . 2]"
2 67 TYR 0.478 0.089 16 0 "[ . 1 . 2]"
2 68 THR 6.474 0.233 1 0 "[ . 1 . 2]"
2 69 PHE 1.063 0.089 16 0 "[ . 1 . 2]"
2 70 LYS 3.112 0.202 7 0 "[ . 1 . 2]"
2 71 ASN 3.997 0.072 13 0 "[ . 1 . 2]"
2 72 GLN 3.392 0.065 19 0 "[ . 1 . 2]"
2 73 ALA 1.917 0.129 6 0 "[ . 1 . 2]"
2 74 SER 0.564 0.129 6 0 "[ . 1 . 2]"
2 75 ASN 1.193 0.096 2 0 "[ . 1 . 2]"
2 76 ASP 1.751 0.117 7 0 "[ . 1 . 2]"
2 77 LEU 0.917 0.072 6 0 "[ . 1 . 2]"
2 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 ASN 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 1 ALA HA 1 3 GLU QG . . 5.500 4.451 4.041 5.484 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 3 GLU H . . 5.500 3.955 3.571 5.592 0.092 17 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 2 ASN H . . 3.500 2.357 2.066 2.895 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 3 GLU H . . 4.500 4.514 4.344 4.543 0.043 5 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 3 GLU QG . . 5.500 5.138 3.880 5.503 0.003 12 0 "[ . 1 . 2]" 1
6 1 2 ASN HA 1 3 GLU H . . 3.500 2.556 2.024 2.888 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASN HA 1 3 GLU QG . . 5.500 4.845 3.717 5.203 . 0 0 "[ . 1 . 2]" 1
8 1 1 ALA MB 1 2 ASN HA . . 5.500 3.975 3.667 4.060 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASN H 1 2 ASN HA . . 2.800 2.264 2.189 2.767 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASN QB 1 3 GLU H . . 4.500 3.975 3.780 4.052 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HA 1 4 SER H . . 3.500 2.982 2.394 3.509 0.009 6 0 "[ . 1 . 2]" 1
12 1 3 GLU H 1 3 GLU HA . . 2.800 2.867 2.826 2.907 0.107 10 0 "[ . 1 . 2]" 1
13 1 3 GLU QB 1 5 ALA H . . 5.500 5.018 3.421 5.507 0.007 4 0 "[ . 1 . 2]" 1
14 1 3 GLU QB 1 4 SER H . . 4.500 2.712 1.993 3.142 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU H 1 3 GLU QB . . 3.500 2.351 2.085 3.124 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 1 3 GLU QB . . 2.800 2.372 2.185 2.494 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU QG 1 4 SER H . . 4.500 4.157 2.896 4.514 0.014 9 0 "[ . 1 . 2]" 1
18 1 4 SER QB 1 5 ALA H . . 4.500 3.986 3.680 4.110 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER H 1 4 SER QB . . 3.500 2.766 2.091 3.484 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER QB 1 6 LYS QG . . 5.500 4.557 2.798 5.529 0.029 17 0 "[ . 1 . 2]" 1
21 1 5 ALA H 1 5 ALA HA . . 2.800 2.818 2.800 2.853 0.053 15 0 "[ . 1 . 2]" 1
22 1 5 ALA HA 1 8 MET QG . . 5.500 4.271 3.943 4.470 . 0 0 "[ . 1 . 2]" 1
23 1 5 ALA H 1 5 ALA MB . . 2.800 2.251 2.094 2.298 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA MB 1 8 MET H . . 5.500 4.372 4.334 4.468 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA MB 1 6 LYS H . . 3.500 2.755 2.369 2.988 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS HA 1 67 TYR H . . 5.500 3.888 3.223 4.827 . 0 0 "[ . 1 . 2]" 1
27 1 5 ALA H 1 6 LYS HA . . 5.500 5.430 5.248 5.513 0.013 9 0 "[ . 1 . 2]" 1
28 1 6 LYS HA 1 65 ASN QD . . 5.500 4.127 3.829 5.361 . 0 0 "[ . 1 . 2]" 1
29 1 5 ALA HA 1 6 LYS HA . . 5.500 4.967 4.787 5.208 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS HA 1 6 LYS QE . . 4.500 4.190 3.887 4.548 0.048 6 0 "[ . 1 . 2]" 1
31 1 5 ALA MB 1 6 LYS HA . . 4.500 4.050 3.914 4.169 . 0 0 "[ . 1 . 2]" 1
32 1 6 LYS HA 1 6 LYS QB . . 2.800 2.319 2.149 2.493 . 0 0 "[ . 1 . 2]" 1
33 1 6 LYS HA 1 6 LYS QG . . 3.500 2.789 2.325 3.378 . 0 0 "[ . 1 . 2]" 1
34 1 5 ALA H 1 6 LYS QB . . 5.500 4.723 4.120 5.108 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS H 1 6 LYS QB . . 2.800 2.399 2.181 2.548 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS QB 1 6 LYS QE . . 3.500 2.519 2.055 3.426 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS H 1 6 LYS QG . . 3.500 2.352 1.918 3.516 0.016 7 0 "[ . 1 . 2]" 1
38 1 6 LYS QE 1 6 LYS QG . . 2.800 2.289 2.016 2.805 0.005 12 0 "[ . 1 . 2]" 1
39 1 5 ALA H 1 6 LYS QD . . 5.500 5.125 4.039 5.475 . 0 0 "[ . 1 . 2]" 1
40 1 6 LYS H 1 6 LYS QD . . 3.500 3.424 2.373 3.639 0.139 4 0 "[ . 1 . 2]" 1
41 1 6 LYS HA 1 6 LYS QD . . 4.500 4.078 2.556 4.518 0.018 4 0 "[ . 1 . 2]" 1
42 1 6 LYS H 1 6 LYS QE . . 3.500 2.559 2.157 3.512 0.012 6 0 "[ . 1 . 2]" 1
43 1 7 ASP H 1 7 ASP QB . . 2.800 2.517 2.337 2.651 . 0 0 "[ . 1 . 2]" 1
44 1 7 ASP QB 1 8 MET H . . 4.500 3.737 3.615 3.894 . 0 0 "[ . 1 . 2]" 1
45 1 4 SER H 1 7 ASP QB . . 5.500 5.095 4.196 5.505 0.005 4 0 "[ . 1 . 2]" 1
46 1 8 MET HA 1 8 MET QG . . 2.800 2.303 2.240 2.381 . 0 0 "[ . 1 . 2]" 1
47 1 8 MET HA 1 13 PHE H . . 5.500 5.460 5.340 5.510 0.010 14 0 "[ . 1 . 2]" 1
48 1 8 MET HA 1 9 THR H . . 2.800 2.256 2.188 2.329 . 0 0 "[ . 1 . 2]" 1
49 1 5 ALA HA 1 8 MET QB . . 4.500 2.339 2.195 2.419 . 0 0 "[ . 1 . 2]" 1
50 1 8 MET H 1 8 MET QB . . 3.500 2.180 2.142 2.217 . 0 0 "[ . 1 . 2]" 1
51 1 8 MET QB 1 13 PHE H . . 5.500 4.751 4.618 4.906 . 0 0 "[ . 1 . 2]" 1
52 1 8 MET QB 1 9 THR H . . 4.500 3.875 3.701 3.958 . 0 0 "[ . 1 . 2]" 1
53 1 8 MET QG 1 13 PHE QB . . 5.500 2.965 2.549 3.551 . 0 0 "[ . 1 . 2]" 1
54 1 8 MET H 1 8 MET QG . . 4.500 3.874 3.813 3.914 . 0 0 "[ . 1 . 2]" 1
55 1 8 MET QG 1 9 THR H . . 3.500 2.792 2.434 2.955 . 0 0 "[ . 1 . 2]" 1
56 1 9 THR HB 1 11 GLN H . . 5.500 4.879 3.082 5.046 . 0 0 "[ . 1 . 2]" 1
57 1 9 THR HB 1 10 CYS H . . 4.500 3.878 2.015 4.023 . 0 0 "[ . 1 . 2]" 1
58 1 10 CYS HA 1 11 GLN H . . 5.500 3.577 3.552 3.612 . 0 0 "[ . 1 . 2]" 1
59 1 10 CYS QB 1 11 GLN HA . . 5.500 4.125 4.082 4.201 . 0 0 "[ . 1 . 2]" 1
60 1 10 CYS QB 1 62 PRO HA . . 2.800 2.149 2.065 2.264 . 0 0 "[ . 1 . 2]" 1
61 1 10 CYS QB 1 64 LYS H . . 3.500 2.812 2.668 2.997 . 0 0 "[ . 1 . 2]" 1
62 1 10 CYS QB 1 11 GLN H . . 3.500 2.892 2.834 3.009 . 0 0 "[ . 1 . 2]" 1
63 1 10 CYS H 1 10 CYS QB . . 2.800 2.175 2.141 2.305 . 0 0 "[ . 1 . 2]" 1
64 1 11 GLN HA 1 11 GLN QE . . 4.500 2.493 2.434 2.607 . 0 0 "[ . 1 . 2]" 1
65 1 11 GLN HA 1 12 GLU H . . 3.500 3.529 3.515 3.546 0.046 14 0 "[ . 1 . 2]" 1
66 1 11 GLN H 1 11 GLN HA . . 2.800 2.827 2.814 2.844 0.044 2 0 "[ . 1 . 2]" 1
67 1 11 GLN H 1 11 GLN QB . . 2.800 2.218 2.149 2.250 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLN HA 1 11 GLN QG . . 3.500 2.988 2.490 3.097 . 0 0 "[ . 1 . 2]" 1
69 1 11 GLN QG 1 12 GLU H . . 5.500 4.007 3.716 4.633 . 0 0 "[ . 1 . 2]" 1
70 1 11 GLN H 1 11 GLN QG . . 4.500 4.041 3.835 4.101 . 0 0 "[ . 1 . 2]" 1
71 1 9 THR H 1 12 GLU HA . . 5.500 5.492 5.212 5.516 0.016 17 0 "[ . 1 . 2]" 1
72 1 56 GLU H 1 56 GLU HA . . 2.800 2.819 2.815 2.823 0.023 2 0 "[ . 1 . 2]" 1
73 1 9 THR H 1 12 GLU QB . . 3.500 2.482 2.198 2.531 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLU QB 1 13 PHE H . . 3.500 2.689 2.600 2.762 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLU H 1 12 GLU QB . . 2.800 2.211 2.144 2.251 . 0 0 "[ . 1 . 2]" 1
76 1 8 MET HA 1 12 GLU QB . . 5.500 3.676 3.577 3.782 . 0 0 "[ . 1 . 2]" 1
77 1 12 GLU QB 1 13 PHE HA . . 5.500 4.337 4.294 4.411 . 0 0 "[ . 1 . 2]" 1
78 1 9 THR H 1 12 GLU QG . . 5.500 4.103 3.784 4.195 . 0 0 "[ . 1 . 2]" 1
79 1 12 GLU H 1 12 GLU QG . . 4.500 3.953 3.919 3.970 . 0 0 "[ . 1 . 2]" 1
80 1 8 MET HA 1 12 GLU QG . . 5.500 4.251 4.162 4.350 . 0 0 "[ . 1 . 2]" 1
81 1 12 GLU HA 1 12 GLU QG . . 3.500 2.444 2.356 2.517 . 0 0 "[ . 1 . 2]" 1
82 1 13 PHE HA 1 16 LEU HG . . 4.500 3.939 3.809 3.974 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLU H 1 13 PHE QB . . 5.500 4.220 4.093 4.425 . 0 0 "[ . 1 . 2]" 1
84 1 13 PHE QB 1 15 ASP H . . 5.500 4.442 4.414 4.469 . 0 0 "[ . 1 . 2]" 1
85 1 10 CYS HA 1 13 PHE QB . . 4.500 2.291 2.228 2.346 . 0 0 "[ . 1 . 2]" 1
86 1 13 PHE QB 1 66 LEU QB . . 5.500 2.895 2.680 3.154 . 0 0 "[ . 1 . 2]" 1
87 1 14 ILE H 1 14 ILE HA . . 2.800 2.833 2.820 2.847 0.047 13 0 "[ . 1 . 2]" 1
88 1 14 ILE HA 1 15 ASP H . . 3.500 3.363 3.317 3.400 . 0 0 "[ . 1 . 2]" 1
89 1 14 ILE HA 1 21 MET QG . . 5.500 4.573 4.345 5.144 . 0 0 "[ . 1 . 2]" 1
90 1 14 ILE HA 1 14 ILE HB . . 2.800 2.383 2.367 2.406 . 0 0 "[ . 1 . 2]" 1
91 1 14 ILE HA 1 14 ILE QG . . 3.500 3.359 3.348 3.370 . 0 0 "[ . 1 . 2]" 1
92 1 14 ILE H 1 14 ILE HB . . 3.500 3.552 3.544 3.560 0.060 10 0 "[ . 1 . 2]" 1
93 1 14 ILE HB 1 15 ASP H . . 5.500 4.387 4.314 4.426 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLN QE 1 14 ILE HB . . 5.500 4.524 4.438 4.612 . 0 0 "[ . 1 . 2]" 1
95 1 14 ILE HB 1 14 ILE QG . . 2.800 2.285 2.255 2.305 . 0 0 "[ . 1 . 2]" 1
96 1 14 ILE H 1 14 ILE QG . . 3.500 2.070 1.998 2.131 . 0 0 "[ . 1 . 2]" 1
97 1 18 PRO HA 1 18 PRO QG . . 3.500 2.902 2.717 3.503 0.003 6 0 "[ . 1 . 2]" 1
98 1 18 PRO HA 1 18 PRO QD . . 3.500 3.330 3.209 3.381 . 0 0 "[ . 1 . 2]" 1
99 1 18 PRO HA 1 21 MET H . . 5.500 3.095 2.749 3.289 . 0 0 "[ . 1 . 2]" 1
100 1 18 PRO QB 1 18 PRO QD . . 3.500 2.631 2.320 2.755 . 0 0 "[ . 1 . 2]" 1
101 1 17 ASN HA 1 18 PRO QB . . 5.500 4.754 4.640 4.813 . 0 0 "[ . 1 . 2]" 1
102 1 18 PRO QB 1 19 LYS H . . 4.500 3.295 2.765 3.760 . 0 0 "[ . 1 . 2]" 1
103 1 34 VAL H 1 34 VAL HB . . 3.500 2.976 2.275 3.547 0.047 19 0 "[ . 1 . 2]" 1
104 1 17 ASN QB 1 18 PRO QD . . 4.500 3.540 3.499 3.556 . 0 0 "[ . 1 . 2]" 1
105 1 18 PRO QD 1 19 LYS QE . . 5.500 5.387 4.941 5.524 0.024 20 0 "[ . 1 . 2]" 1
106 1 17 ASN HA 1 18 PRO QD . . 2.800 1.961 1.923 2.083 . 0 0 "[ . 1 . 2]" 1
107 1 17 ASN H 1 18 PRO QD . . 4.500 4.411 4.327 4.540 0.040 13 0 "[ . 1 . 2]" 1
108 1 17 ASN QD 1 18 PRO QD . . 5.500 3.889 2.802 4.130 . 0 0 "[ . 1 . 2]" 1
109 1 18 PRO QD 1 19 LYS H . . 4.500 2.976 2.506 3.270 . 0 0 "[ . 1 . 2]" 1
110 1 19 LYS HA 1 19 LYS QG . . 3.500 2.326 2.244 2.538 . 0 0 "[ . 1 . 2]" 1
111 1 19 LYS HA 1 19 LYS QB . . 2.800 2.430 2.304 2.461 . 0 0 "[ . 1 . 2]" 1
112 1 19 LYS HA 1 19 LYS QE . . 4.500 4.409 4.347 4.508 0.008 5 0 "[ . 1 . 2]" 1
113 1 19 LYS HA 1 21 MET H . . 5.500 4.350 4.013 4.492 . 0 0 "[ . 1 . 2]" 1
114 1 19 LYS H 1 19 LYS HA . . 2.800 2.858 2.824 2.902 0.102 6 0 "[ . 1 . 2]" 1
115 1 19 LYS QB 1 19 LYS QE . . 3.500 3.518 3.419 3.540 0.040 1 0 "[ . 1 . 2]" 1
116 1 19 LYS H 1 19 LYS QB . . 2.800 2.238 2.118 2.558 . 0 0 "[ . 1 . 2]" 1
117 1 19 LYS QE 1 19 LYS QG . . 2.800 2.018 1.923 2.047 . 0 0 "[ . 1 . 2]" 1
118 1 19 LYS H 1 19 LYS QG . . 3.500 2.988 2.212 3.420 . 0 0 "[ . 1 . 2]" 1
119 1 19 LYS H 1 19 LYS QD . . 4.500 2.910 2.666 4.068 . 0 0 "[ . 1 . 2]" 1
120 1 17 ASN QD 1 19 LYS QE . . 5.500 3.797 3.656 4.388 . 0 0 "[ . 1 . 2]" 1
121 1 19 LYS H 1 19 LYS QE . . 4.500 4.519 4.505 4.559 0.059 13 0 "[ . 1 . 2]" 1
122 1 20 ALA HA 1 23 PRO QD . . 4.500 2.528 2.355 2.687 . 0 0 "[ . 1 . 2]" 1
123 1 20 ALA HA 1 21 MET H . . 3.500 3.378 2.984 3.453 . 0 0 "[ . 1 . 2]" 1
124 1 20 ALA HA 1 24 VAL H . . 5.500 4.475 4.073 4.755 . 0 0 "[ . 1 . 2]" 1
125 1 20 ALA HA 1 22 THR H . . 5.500 3.847 3.451 4.322 . 0 0 "[ . 1 . 2]" 1
126 1 20 ALA MB 1 21 MET HA . . 4.500 4.313 4.167 4.461 . 0 0 "[ . 1 . 2]" 1
127 1 20 ALA MB 1 21 MET H . . 3.500 3.332 3.174 3.544 0.044 16 0 "[ . 1 . 2]" 1
128 1 20 ALA H 1 20 ALA MB . . 2.800 2.242 2.101 2.453 . 0 0 "[ . 1 . 2]" 1
129 1 21 MET HA 1 24 VAL QG . . 3.500 2.382 2.014 2.928 . 0 0 "[ . 1 . 2]" 1
130 1 21 MET HA 1 21 MET QG . . 2.800 2.350 2.275 2.414 . 0 0 "[ . 1 . 2]" 1
131 1 21 MET HA 1 23 PRO QD . . 5.500 4.510 4.130 4.672 . 0 0 "[ . 1 . 2]" 1
132 1 13 PHE HZ 1 21 MET HA . . 5.500 4.557 3.979 5.448 . 0 0 "[ . 1 . 2]" 1
133 1 20 ALA H 1 21 MET HA . . 5.500 5.171 4.674 5.279 . 0 0 "[ . 1 . 2]" 1
134 1 21 MET HA 1 22 THR H . . 3.500 3.544 3.522 3.599 0.099 16 0 "[ . 1 . 2]" 1
135 1 21 MET HA 1 25 ALA H . . 4.500 4.005 3.825 4.502 0.002 10 0 "[ . 1 . 2]" 1
136 1 21 MET H 1 21 MET QB . . 2.800 2.298 1.997 2.549 . 0 0 "[ . 1 . 2]" 1
137 1 72 GLN HA 1 72 GLN QB . . 2.800 2.205 2.164 2.308 . 0 0 "[ . 1 . 2]" 1
138 1 22 THR HA 1 25 ALA MB . . 3.500 2.498 2.268 2.959 . 0 0 "[ . 1 . 2]" 1
139 1 22 THR HA 1 23 PRO QD . . 4.500 3.600 3.566 3.619 . 0 0 "[ . 1 . 2]" 1
140 1 22 THR H 1 22 THR HA . . 2.800 2.805 2.673 2.842 0.042 4 0 "[ . 1 . 2]" 1
141 1 22 THR HB 1 22 THR HG1 . . 2.800 2.184 2.101 2.228 . 0 0 "[ . 1 . 2]" 1
142 1 22 THR HB 1 25 ALA MB . . 5.500 5.095 4.913 5.437 . 0 0 "[ . 1 . 2]" 1
143 1 22 THR HB 1 23 PRO QD . . 2.800 2.179 2.030 2.249 . 0 0 "[ . 1 . 2]" 1
144 1 22 THR H 1 22 THR HB . . 3.500 2.739 2.629 3.192 . 0 0 "[ . 1 . 2]" 1
145 1 23 PRO HA 1 26 TRP QB . . 3.500 2.967 2.676 3.506 0.006 1 0 "[ . 1 . 2]" 1
146 1 22 THR HB 1 23 PRO HA . . 5.500 4.749 4.241 4.862 . 0 0 "[ . 1 . 2]" 1
147 1 23 PRO HA 1 24 VAL H . . 3.500 3.585 3.552 3.598 0.098 3 0 "[ . 1 . 2]" 1
148 1 23 PRO HA 1 25 ALA H . . 5.500 4.595 4.218 4.794 . 0 0 "[ . 1 . 2]" 1
149 1 23 PRO HA 1 26 TRP H . . 3.500 3.529 3.504 3.560 0.060 2 0 "[ . 1 . 2]" 1
150 1 23 PRO QB 1 26 TRP H . . 5.500 4.907 4.793 5.066 . 0 0 "[ . 1 . 2]" 1
151 1 20 ALA HA 1 23 PRO QG . . 5.500 2.309 2.136 2.749 . 0 0 "[ . 1 . 2]" 1
152 1 22 THR HG1 1 23 PRO QD . . 3.500 3.516 3.474 3.530 0.030 5 0 "[ . 1 . 2]" 1
153 1 23 PRO QD 1 25 ALA MB . . 5.500 4.927 4.799 5.110 . 0 0 "[ . 1 . 2]" 1
154 1 21 MET H 1 23 PRO QD . . 5.500 3.997 3.606 4.192 . 0 0 "[ . 1 . 2]" 1
155 1 23 PRO QD 1 24 VAL H . . 5.500 3.383 3.078 3.561 . 0 0 "[ . 1 . 2]" 1
156 1 20 ALA H 1 23 PRO QD . . 5.500 4.738 4.582 4.895 . 0 0 "[ . 1 . 2]" 1
157 1 22 THR H 1 23 PRO QD . . 3.500 2.453 2.348 2.725 . 0 0 "[ . 1 . 2]" 1
158 1 24 VAL HA 1 24 VAL QG . . 2.800 2.234 2.164 2.286 . 0 0 "[ . 1 . 2]" 1
159 1 24 VAL H 1 24 VAL HA . . 2.800 2.852 2.824 2.871 0.071 16 0 "[ . 1 . 2]" 1
160 1 24 VAL HA 1 26 TRP H . . 5.500 4.032 3.736 4.635 . 0 0 "[ . 1 . 2]" 1
161 1 24 VAL H 1 24 VAL HB . . 2.800 2.604 2.436 2.731 . 0 0 "[ . 1 . 2]" 1
162 1 78 PRO QB 1 79 ASN H . . 5.500 2.796 2.470 3.372 . 0 0 "[ . 1 . 2]" 1
163 1 24 VAL HB 1 25 ALA H . . 4.500 3.635 2.377 4.135 . 0 0 "[ . 1 . 2]" 1
164 1 24 VAL HB 1 26 TRP H . . 5.500 5.442 4.911 5.602 0.102 2 0 "[ . 1 . 2]" 1
165 1 24 VAL H 1 24 VAL QG . . 2.800 2.235 2.004 2.397 . 0 0 "[ . 1 . 2]" 1
166 1 24 VAL QG 1 25 ALA H . . 3.500 2.634 2.262 3.434 . 0 0 "[ . 1 . 2]" 1
167 1 24 VAL QG 1 26 TRP H . . 5.500 4.348 4.131 4.851 . 0 0 "[ . 1 . 2]" 1
168 1 25 ALA HA 1 54 VAL QG . . 3.500 2.760 2.318 3.156 . 0 0 "[ . 1 . 2]" 1
169 1 24 VAL QG 1 25 ALA HA . . 4.500 3.411 3.319 3.702 . 0 0 "[ . 1 . 2]" 1
170 1 25 ALA HA 1 28 MET QB . . 4.500 3.183 2.662 3.462 . 0 0 "[ . 1 . 2]" 1
171 1 24 VAL H 1 25 ALA HA . . 5.500 5.384 5.255 5.468 . 0 0 "[ . 1 . 2]" 1
172 1 25 ALA HA 1 27 TRP H . . 5.500 5.056 4.662 5.372 . 0 0 "[ . 1 . 2]" 1
173 1 25 ALA HA 1 26 TRP H . . 4.500 3.572 3.498 3.667 . 0 0 "[ . 1 . 2]" 1
174 1 25 ALA MB 1 54 VAL QG . . 3.500 2.231 2.101 2.387 . 0 0 "[ . 1 . 2]" 1
175 1 24 VAL HB 1 25 ALA MB . . 5.500 5.012 3.710 5.528 0.028 9 0 "[ . 1 . 2]" 1
176 1 25 ALA MB 1 26 TRP QB . . 5.500 4.011 3.654 4.166 . 0 0 "[ . 1 . 2]" 1
177 1 24 VAL H 1 25 ALA MB . . 4.500 4.328 4.185 4.457 . 0 0 "[ . 1 . 2]" 1
178 1 25 ALA MB 1 27 TRP H . . 5.500 5.014 4.678 5.284 . 0 0 "[ . 1 . 2]" 1
179 1 25 ALA H 1 25 ALA MB . . 2.800 2.198 2.176 2.222 . 0 0 "[ . 1 . 2]" 1
180 1 25 ALA MB 1 26 TRP H . . 3.500 2.869 2.608 3.111 . 0 0 "[ . 1 . 2]" 1
181 1 26 TRP HA 1 29 LEU HG . . 4.500 4.375 4.202 4.521 0.021 19 0 "[ . 1 . 2]" 1
182 1 26 TRP HA 1 29 LEU QB . . 4.500 2.628 2.437 2.847 . 0 0 "[ . 1 . 2]" 1
183 1 26 TRP HA 1 29 LEU H . . 4.500 3.383 2.996 3.604 . 0 0 "[ . 1 . 2]" 1
184 1 26 TRP HA 1 27 TRP H . . 5.500 3.707 3.618 3.750 . 0 0 "[ . 1 . 2]" 1
185 1 25 ALA H 1 26 TRP HA . . 5.500 5.386 5.271 5.516 0.016 10 0 "[ . 1 . 2]" 1
186 1 26 TRP QB 1 27 TRP H . . 5.500 2.651 2.416 3.060 . 0 0 "[ . 1 . 2]" 1
187 1 26 TRP H 1 26 TRP QB . . 3.500 2.327 2.226 2.401 . 0 0 "[ . 1 . 2]" 1
188 1 26 TRP HZ3 1 27 TRP HA . . 3.500 3.157 2.716 3.618 0.118 2 0 "[ . 1 . 2]" 1
189 1 26 TRP HZ3 1 27 TRP QB . . 5.500 3.584 2.711 5.413 . 0 0 "[ . 1 . 2]" 1
190 1 27 TRP QB 1 28 MET H . . 3.500 2.742 2.343 3.089 . 0 0 "[ . 1 . 2]" 1
191 1 27 TRP H 1 27 TRP QB . . 3.500 2.165 1.997 2.905 . 0 0 "[ . 1 . 2]" 1
192 1 28 MET HA 1 28 MET QG . . 3.500 2.393 2.297 2.479 . 0 0 "[ . 1 . 2]" 1
193 1 27 TRP H 1 28 MET HA . . 5.500 5.489 5.429 5.559 0.059 2 0 "[ . 1 . 2]" 1
194 1 28 MET HA 1 31 GLU H . . 5.500 4.257 3.301 5.536 0.036 8 0 "[ . 1 . 2]" 1
195 1 28 MET H 1 28 MET QB . . 3.500 2.146 2.117 2.187 . 0 0 "[ . 1 . 2]" 1
196 1 29 LEU HA 1 54 VAL QG . . 5.500 4.321 3.794 4.800 . 0 0 "[ . 1 . 2]" 1
197 1 29 LEU HA 1 29 LEU QB . . 2.800 2.502 2.378 2.588 . 0 0 "[ . 1 . 2]" 1
198 1 29 LEU HA 1 70 LYS QE . . 5.500 4.136 2.794 4.931 . 0 0 "[ . 1 . 2]" 1
199 1 29 LEU H 1 29 LEU HA . . 2.800 2.837 2.809 2.869 0.069 16 0 "[ . 1 . 2]" 1
200 1 29 LEU H 1 29 LEU QB . . 3.500 2.056 1.992 2.119 . 0 0 "[ . 1 . 2]" 1
201 1 29 LEU HG 1 54 VAL QG . . 3.500 3.209 2.456 3.524 0.024 13 0 "[ . 1 . 2]" 1
202 1 29 LEU QB 1 29 LEU HG . . 2.800 2.130 2.096 2.184 . 0 0 "[ . 1 . 2]" 1
203 1 29 LEU HG 1 47 ASP HA . . 4.500 3.878 3.249 4.506 0.006 7 0 "[ . 1 . 2]" 1
204 1 29 LEU H 1 29 LEU HG . . 4.500 4.317 4.152 4.423 . 0 0 "[ . 1 . 2]" 1
205 1 71 ASN HA 1 72 GLN HA . . 5.500 4.829 4.783 4.932 . 0 0 "[ . 1 . 2]" 1
206 1 72 GLN HA 1 73 ALA H . . 3.500 3.502 3.415 3.532 0.032 12 0 "[ . 1 . 2]" 1
207 1 72 GLN QB 1 73 ALA H . . 3.500 3.341 2.710 3.544 0.044 8 0 "[ . 1 . 2]" 1
208 1 31 GLU HA 1 31 GLU QG . . 2.800 2.329 2.220 2.449 . 0 0 "[ . 1 . 2]" 1
209 1 64 LYS HA 1 65 ASN H . . 2.800 2.436 2.380 2.491 . 0 0 "[ . 1 . 2]" 1
210 1 63 GLN H 1 63 GLN QB . . 2.800 2.544 2.366 2.740 . 0 0 "[ . 1 . 2]" 1
211 1 72 GLN HA 1 72 GLN QG . . 3.500 3.195 2.768 3.350 . 0 0 "[ . 1 . 2]" 1
212 1 72 GLN H 1 72 GLN HA . . 2.800 2.846 2.822 2.855 0.055 17 0 "[ . 1 . 2]" 1
213 1 71 ASN H 1 72 GLN QB . . 5.500 4.957 4.794 5.140 . 0 0 "[ . 1 . 2]" 1
214 1 72 GLN QG 1 73 ALA MB . . 5.500 3.031 2.344 4.570 . 0 0 "[ . 1 . 2]" 1
215 1 69 PHE HA 1 72 GLN QG . . 2.800 2.329 2.188 2.581 . 0 0 "[ . 1 . 2]" 1
216 1 71 ASN HA 1 72 GLN QG . . 5.500 4.840 4.757 4.924 . 0 0 "[ . 1 . 2]" 1
217 1 72 GLN QE 1 72 GLN QG . . 2.800 2.237 2.143 2.416 . 0 0 "[ . 1 . 2]" 1
218 1 71 ASN H 1 72 GLN QG . . 3.500 3.532 3.524 3.551 0.051 12 0 "[ . 1 . 2]" 1
219 1 72 GLN QG 1 73 ALA H . . 4.500 2.716 2.273 3.931 . 0 0 "[ . 1 . 2]" 1
220 1 34 VAL HA 1 34 VAL QG . . 2.800 2.135 2.097 2.205 . 0 0 "[ . 1 . 2]" 1
221 1 34 VAL HA 1 35 TYR H . . 3.500 2.333 2.102 3.318 . 0 0 "[ . 1 . 2]" 1
222 1 35 TYR H 1 35 TYR HA . . 2.800 2.786 2.167 2.905 0.105 19 0 "[ . 1 . 2]" 1
223 1 54 VAL QG 1 69 PHE QB . . 4.500 2.452 2.219 3.075 . 0 0 "[ . 1 . 2]" 1
224 1 17 ASN HA 1 17 ASN QB . . 2.800 2.303 2.270 2.362 . 0 0 "[ . 1 . 2]" 1
225 1 17 ASN H 1 17 ASN QB . . 2.800 2.296 2.205 2.351 . 0 0 "[ . 1 . 2]" 1
226 1 17 ASN QB 1 19 LYS H . . 4.500 3.574 3.535 3.671 . 0 0 "[ . 1 . 2]" 1
227 1 36 LYS HA 1 36 LYS QB . . 2.800 2.239 2.112 2.388 . 0 0 "[ . 1 . 2]" 1
228 1 36 LYS HA 1 37 GLY H . . 3.500 2.606 2.067 3.446 . 0 0 "[ . 1 . 2]" 1
229 1 63 GLN QG 1 64 LYS QG . . 5.500 4.818 2.515 5.035 . 0 0 "[ . 1 . 2]" 1
230 1 64 LYS H 1 64 LYS QG . . 2.800 2.121 2.020 2.195 . 0 0 "[ . 1 . 2]" 1
231 1 64 LYS QG 1 65 ASN H . . 5.500 4.386 4.287 4.457 . 0 0 "[ . 1 . 2]" 1
232 1 36 LYS H 1 36 LYS QD . . 4.500 3.737 2.138 4.563 0.063 1 0 "[ . 1 . 2]" 1
233 1 36 LYS QE 1 36 LYS QG . . 2.800 2.261 2.092 2.433 . 0 0 "[ . 1 . 2]" 1
234 1 36 LYS H 1 36 LYS QE . . 4.500 3.082 2.647 3.715 . 0 0 "[ . 1 . 2]" 1
235 1 44 ASN HA 1 45 GLU QB . . 5.500 4.827 4.747 4.915 . 0 0 "[ . 1 . 2]" 1
236 1 45 GLU H 1 45 GLU QB . . 2.800 2.589 2.521 2.727 . 0 0 "[ . 1 . 2]" 1
237 1 53 LYS HA 1 56 GLU QG . . 3.500 3.511 3.429 3.536 0.036 2 0 "[ . 1 . 2]" 1
238 1 45 GLU HA 1 45 GLU QG . . 2.800 2.438 2.400 2.577 . 0 0 "[ . 1 . 2]" 1
239 1 56 GLU H 1 56 GLU QG . . 3.500 2.271 2.193 2.333 . 0 0 "[ . 1 . 2]" 1
240 1 45 GLU H 1 45 GLU QG . . 3.500 2.175 2.009 2.575 . 0 0 "[ . 1 . 2]" 1
241 1 45 GLU H 1 46 THR HA . . 5.500 5.496 5.413 5.522 0.022 12 0 "[ . 1 . 2]" 1
242 1 45 GLU QB 1 46 THR HB . . 5.500 5.227 4.996 5.430 . 0 0 "[ . 1 . 2]" 1
243 1 44 ASN QD 1 46 THR HB . . 5.500 4.170 3.295 5.499 . 0 0 "[ . 1 . 2]" 1
244 1 46 THR H 1 46 THR HB . . 2.800 2.512 2.388 2.632 . 0 0 "[ . 1 . 2]" 1
245 1 46 THR HB 1 47 ASP H . . 3.500 2.648 2.558 2.785 . 0 0 "[ . 1 . 2]" 1
246 1 45 GLU H 1 46 THR HB . . 5.500 5.121 4.830 5.358 . 0 0 "[ . 1 . 2]" 1
247 1 50 GLN HA 1 53 LYS QG . . 3.500 2.768 2.309 3.309 . 0 0 "[ . 1 . 2]" 1
248 1 50 GLN HA 1 50 GLN QE . . 5.500 3.230 2.233 3.592 . 0 0 "[ . 1 . 2]" 1
249 1 50 GLN HA 1 53 LYS H . . 3.500 2.982 2.881 3.085 . 0 0 "[ . 1 . 2]" 1
250 1 74 SER HA 1 75 ASN H . . 3.500 3.030 2.148 3.517 0.017 4 0 "[ . 1 . 2]" 1
251 1 47 ASP QB 1 48 LEU H . . 4.500 2.619 2.400 3.660 . 0 0 "[ . 1 . 2]" 1
252 1 47 ASP H 1 47 ASP QB . . 3.500 2.450 2.136 2.707 . 0 0 "[ . 1 . 2]" 1
253 1 44 ASN H 1 47 ASP QB . . 4.500 2.800 2.051 3.924 . 0 0 "[ . 1 . 2]" 1
254 1 60 LYS HA 1 62 PRO QD . . 4.500 3.530 3.477 3.566 . 0 0 "[ . 1 . 2]" 1
255 1 60 LYS H 1 60 LYS HA . . 2.800 2.849 2.842 2.860 0.060 18 0 "[ . 1 . 2]" 1
256 1 77 LEU QB 1 78 PRO QD . . 5.500 2.398 2.099 3.372 . 0 0 "[ . 1 . 2]" 1
257 1 77 LEU H 1 77 LEU QB . . 3.500 2.964 2.281 3.431 . 0 0 "[ . 1 . 2]" 1
258 1 49 THR HA 1 52 PRO QG . . 4.500 3.282 2.832 3.459 . 0 0 "[ . 1 . 2]" 1
259 1 49 THR HA 1 52 PRO QD . . 3.500 3.296 2.955 3.434 . 0 0 "[ . 1 . 2]" 1
260 1 49 THR HA 1 50 GLN H . . 4.500 3.587 3.549 3.605 . 0 0 "[ . 1 . 2]" 1
261 1 49 THR HA 1 51 ILE H . . 5.500 4.671 4.425 4.832 . 0 0 "[ . 1 . 2]" 1
262 1 29 LEU HG 1 50 GLN QB . . 3.500 2.659 2.223 2.808 . 0 0 "[ . 1 . 2]" 1
263 1 50 GLN QB 1 51 ILE H . . 4.500 2.965 2.826 3.062 . 0 0 "[ . 1 . 2]" 1
264 1 51 ILE H 1 51 ILE QG . . 3.500 3.292 2.256 3.557 0.057 9 0 "[ . 1 . 2]" 1
265 1 49 THR H 1 49 THR HB . . 3.500 2.491 2.393 2.560 . 0 0 "[ . 1 . 2]" 1
266 1 49 THR HB 1 50 GLN H . . 3.500 2.844 2.708 3.044 . 0 0 "[ . 1 . 2]" 1
267 1 50 GLN H 1 50 GLN QB . . 3.500 2.321 2.159 2.411 . 0 0 "[ . 1 . 2]" 1
268 1 49 THR HB 1 50 GLN QG . . 3.500 3.249 2.962 3.512 0.012 3 0 "[ . 1 . 2]" 1
269 1 50 GLN QG 1 53 LYS H . . 5.500 5.475 4.965 5.545 0.045 11 0 "[ . 1 . 2]" 1
270 1 31 GLU QG 1 33 THR H . . 4.500 4.001 2.213 4.528 0.028 1 0 "[ . 1 . 2]" 1
271 1 51 ILE HA 1 54 VAL QG . . 2.800 2.202 2.098 2.324 . 0 0 "[ . 1 . 2]" 1
272 1 29 LEU HG 1 51 ILE HA . . 4.500 4.487 4.011 4.566 0.066 3 0 "[ . 1 . 2]" 1
273 1 51 ILE HA 1 51 ILE QG . . 3.500 2.479 2.251 3.260 . 0 0 "[ . 1 . 2]" 1
274 1 51 ILE HA 1 53 LYS H . . 4.500 4.514 4.475 4.543 0.043 10 0 "[ . 1 . 2]" 1
275 1 51 ILE HA 1 55 ILE H . . 5.500 4.948 4.683 5.080 . 0 0 "[ . 1 . 2]" 1
276 1 51 ILE HA 1 54 VAL H . . 4.500 3.799 3.714 3.898 . 0 0 "[ . 1 . 2]" 1
277 1 51 ILE HB 1 52 PRO QD . . 2.800 2.603 2.178 2.753 . 0 0 "[ . 1 . 2]" 1
278 1 48 LEU HA 1 51 ILE HB . . 5.500 2.983 2.711 3.749 . 0 0 "[ . 1 . 2]" 1
279 1 51 ILE HB 1 53 LYS H . . 5.500 5.414 5.147 5.506 0.006 4 0 "[ . 1 . 2]" 1
280 1 51 ILE H 1 51 ILE HB . . 3.500 2.337 2.167 2.908 . 0 0 "[ . 1 . 2]" 1
281 1 47 ASP QB 1 51 ILE QG . . 5.500 4.190 3.460 5.404 . 0 0 "[ . 1 . 2]" 1
282 1 52 PRO HA 1 55 ILE QG . . 4.500 3.663 3.140 3.917 . 0 0 "[ . 1 . 2]" 1
283 1 52 PRO HA 1 52 PRO QG . . 3.500 3.503 3.497 3.511 0.011 14 0 "[ . 1 . 2]" 1
284 1 52 PRO HA 1 53 LYS H . . 5.500 3.631 3.613 3.678 . 0 0 "[ . 1 . 2]" 1
285 1 52 PRO HA 1 55 ILE H . . 4.500 3.548 3.477 3.612 . 0 0 "[ . 1 . 2]" 1
286 1 52 PRO HA 1 56 GLU H . . 5.500 4.100 3.996 4.318 . 0 0 "[ . 1 . 2]" 1
287 1 52 PRO HA 1 54 VAL H . . 5.500 4.537 4.425 4.606 . 0 0 "[ . 1 . 2]" 1
288 1 52 PRO QB 1 55 ILE QG . . 5.500 5.161 4.737 5.329 . 0 0 "[ . 1 . 2]" 1
289 1 52 PRO QB 1 52 PRO QD . . 3.500 2.704 2.631 2.748 . 0 0 "[ . 1 . 2]" 1
290 1 52 PRO QB 1 55 ILE H . . 5.500 4.841 4.782 4.933 . 0 0 "[ . 1 . 2]" 1
291 1 52 PRO QD 1 53 LYS H . . 3.500 2.966 2.914 3.023 . 0 0 "[ . 1 . 2]" 1
292 1 51 ILE H 1 52 PRO QD . . 3.500 2.564 2.524 2.612 . 0 0 "[ . 1 . 2]" 1
293 1 53 LYS HA 1 53 LYS QG . . 3.500 2.939 2.365 3.183 . 0 0 "[ . 1 . 2]" 1
294 1 53 LYS H 1 53 LYS HA . . 2.800 2.839 2.829 2.849 0.049 10 0 "[ . 1 . 2]" 1
295 1 53 LYS HA 1 55 ILE H . . 5.500 3.833 3.620 4.156 . 0 0 "[ . 1 . 2]" 1
296 1 53 LYS HA 1 56 GLU H . . 3.500 3.247 3.130 3.470 . 0 0 "[ . 1 . 2]" 1
297 1 53 LYS HA 1 54 VAL H . . 3.500 3.536 3.517 3.550 0.050 6 0 "[ . 1 . 2]" 1
298 1 53 LYS HA 1 57 TYR H . . 4.500 3.527 3.339 3.832 . 0 0 "[ . 1 . 2]" 1
299 1 53 LYS H 1 53 LYS QB . . 2.800 2.560 2.421 2.700 . 0 0 "[ . 1 . 2]" 1
300 1 53 LYS QB 1 54 VAL H . . 3.500 2.785 2.609 2.893 . 0 0 "[ . 1 . 2]" 1
301 1 60 LYS QE 1 60 LYS QG . . 2.800 2.476 2.141 2.843 0.043 14 0 "[ . 1 . 2]" 1
302 1 53 LYS H 1 53 LYS QG . . 2.800 2.154 2.086 2.241 . 0 0 "[ . 1 . 2]" 1
303 1 50 GLN QE 1 53 LYS QD . . 5.500 4.743 2.949 5.406 . 0 0 "[ . 1 . 2]" 1
304 1 53 LYS H 1 53 LYS QD . . 3.500 3.455 2.922 3.572 0.072 15 0 "[ . 1 . 2]" 1
305 1 53 LYS QD 1 54 VAL H . . 5.500 4.936 4.650 5.002 . 0 0 "[ . 1 . 2]" 1
306 1 54 VAL HA 1 54 VAL QG . . 2.800 2.336 2.264 2.598 . 0 0 "[ . 1 . 2]" 1
307 1 54 VAL HA 1 55 ILE H . . 4.500 3.478 3.432 3.523 . 0 0 "[ . 1 . 2]" 1
308 1 54 VAL HA 1 56 GLU H . . 5.500 4.836 4.678 4.931 . 0 0 "[ . 1 . 2]" 1
309 1 54 VAL HA 1 57 TYR H . . 4.500 3.604 3.349 3.778 . 0 0 "[ . 1 . 2]" 1
310 1 54 VAL HA 1 58 CYS H . . 5.500 4.286 4.032 4.524 . 0 0 "[ . 1 . 2]" 1
311 1 54 VAL H 1 54 VAL HB . . 3.500 3.596 3.566 3.603 0.103 17 0 "[ . 1 . 2]" 1
312 1 52 PRO HA 1 54 VAL QG . . 5.500 4.195 4.125 4.291 . 0 0 "[ . 1 . 2]" 1
313 1 54 VAL QG 1 72 GLN QE . . 3.500 2.522 2.240 3.347 . 0 0 "[ . 1 . 2]" 1
314 1 54 VAL QG 1 56 GLU H . . 5.500 4.560 4.451 4.610 . 0 0 "[ . 1 . 2]" 1
315 1 54 VAL H 1 54 VAL QG . . 2.800 1.929 1.875 1.954 . 0 0 "[ . 1 . 2]" 1
316 1 54 VAL QG 1 55 ILE HA . . 4.500 3.748 3.353 3.850 . 0 0 "[ . 1 . 2]" 1
317 1 55 ILE HA 1 55 ILE QG . . 2.800 2.589 2.538 2.699 . 0 0 "[ . 1 . 2]" 1
318 1 55 ILE HA 1 56 GLU H . . 3.500 3.548 3.538 3.555 0.055 18 0 "[ . 1 . 2]" 1
319 1 54 VAL H 1 55 ILE HA . . 5.500 5.402 5.378 5.444 . 0 0 "[ . 1 . 2]" 1
320 1 55 ILE HA 1 58 CYS H . . 3.500 3.420 3.334 3.502 0.002 4 0 "[ . 1 . 2]" 1
321 1 54 VAL QG 1 55 ILE HB . . 5.500 4.204 4.100 4.430 . 0 0 "[ . 1 . 2]" 1
322 1 55 ILE HB 1 56 GLU HA . . 5.500 4.374 4.159 4.496 . 0 0 "[ . 1 . 2]" 1
323 1 52 PRO HA 1 55 ILE HB . . 3.500 3.049 2.815 3.361 . 0 0 "[ . 1 . 2]" 1
324 1 55 ILE H 1 55 ILE HB . . 3.500 2.523 2.473 2.634 . 0 0 "[ . 1 . 2]" 1
325 1 55 ILE HB 1 56 GLU H . . 2.800 2.409 2.275 2.487 . 0 0 "[ . 1 . 2]" 1
326 1 54 VAL H 1 55 ILE HB . . 5.500 5.049 4.942 5.201 . 0 0 "[ . 1 . 2]" 1
327 1 54 VAL QG 1 55 ILE QG . . 3.500 2.317 2.253 2.474 . 0 0 "[ . 1 . 2]" 1
328 1 55 ILE QG 1 56 GLU H . . 5.500 4.057 3.833 4.178 . 0 0 "[ . 1 . 2]" 1
329 1 54 VAL H 1 55 ILE QG . . 5.500 4.299 4.045 4.540 . 0 0 "[ . 1 . 2]" 1
330 1 55 ILE H 1 55 ILE QG . . 3.500 2.430 2.219 2.524 . 0 0 "[ . 1 . 2]" 1
331 1 59 LYS HA 1 59 LYS QB . . 2.800 2.088 2.074 2.102 . 0 0 "[ . 1 . 2]" 1
332 1 56 GLU HA 1 56 GLU QG . . 2.800 2.244 2.206 2.314 . 0 0 "[ . 1 . 2]" 1
333 1 56 GLU QG 1 60 LYS QE . . 5.500 4.755 4.010 5.508 0.008 20 0 "[ . 1 . 2]" 1
334 1 57 TYR HA 1 60 LYS QE . . 2.800 2.675 1.946 2.851 0.051 19 0 "[ . 1 . 2]" 1
335 1 57 TYR HA 1 57 TYR QB . . 2.800 2.355 2.318 2.411 . 0 0 "[ . 1 . 2]" 1
336 1 57 TYR HA 1 60 LYS H . . 4.500 3.723 3.569 3.897 . 0 0 "[ . 1 . 2]" 1
337 1 56 GLU H 1 57 TYR HA . . 5.500 5.437 5.394 5.490 . 0 0 "[ . 1 . 2]" 1
338 1 57 TYR H 1 57 TYR HA . . 2.800 2.836 2.818 2.850 0.050 15 0 "[ . 1 . 2]" 1
339 1 57 TYR HA 1 58 CYS H . . 3.500 3.516 3.493 3.533 0.033 4 0 "[ . 1 . 2]" 1
340 1 57 TYR H 1 57 TYR QB . . 3.500 2.202 2.156 2.254 . 0 0 "[ . 1 . 2]" 1
341 1 57 TYR QB 1 58 CYS H . . 4.500 3.060 2.952 3.157 . 0 0 "[ . 1 . 2]" 1
342 1 14 ILE QG 1 58 CYS QB . . 5.500 4.011 3.848 4.175 . 0 0 "[ . 1 . 2]" 1
343 1 14 ILE H 1 58 CYS QB . . 4.500 3.632 3.493 3.788 . 0 0 "[ . 1 . 2]" 1
344 1 58 CYS QB 1 59 LYS H . . 3.500 2.712 2.664 2.777 . 0 0 "[ . 1 . 2]" 1
345 1 58 CYS H 1 58 CYS QB . . 2.800 2.284 2.242 2.328 . 0 0 "[ . 1 . 2]" 1
346 1 59 LYS QB 1 60 LYS H . . 3.500 3.539 3.531 3.546 0.046 20 0 "[ . 1 . 2]" 1
347 1 29 LEU HA 1 70 LYS QD . . 3.500 2.736 2.176 3.508 0.008 1 0 "[ . 1 . 2]" 1
348 1 70 LYS HA 1 70 LYS QD . . 3.500 2.363 2.052 3.348 . 0 0 "[ . 1 . 2]" 1
349 1 59 LYS QB 1 59 LYS QD . . 2.800 2.382 2.346 2.402 . 0 0 "[ . 1 . 2]" 1
350 1 59 LYS H 1 59 LYS QD . . 3.500 2.688 2.578 2.744 . 0 0 "[ . 1 . 2]" 1
351 1 60 LYS HA 1 60 LYS QB . . 2.800 2.271 2.110 2.462 . 0 0 "[ . 1 . 2]" 1
352 1 60 LYS HA 1 60 LYS QE . . 5.500 4.613 4.245 5.483 . 0 0 "[ . 1 . 2]" 1
353 1 60 LYS QB 1 60 LYS QD . . 2.800 2.334 2.083 2.490 . 0 0 "[ . 1 . 2]" 1
354 1 60 LYS H 1 60 LYS QB . . 2.800 2.358 2.324 2.443 . 0 0 "[ . 1 . 2]" 1
355 1 57 TYR HA 1 60 LYS QG . . 4.500 2.860 2.021 4.068 . 0 0 "[ . 1 . 2]" 1
356 1 60 LYS QG 1 61 ASN QD . . 4.500 2.975 1.719 4.504 0.004 3 0 "[ . 1 . 2]" 1
357 1 60 LYS H 1 60 LYS QG . . 2.800 2.498 2.412 2.573 . 0 0 "[ . 1 . 2]" 1
358 1 60 LYS H 1 60 LYS QD . . 4.500 3.942 3.410 4.406 . 0 0 "[ . 1 . 2]" 1
359 1 60 LYS H 1 60 LYS QE . . 4.500 4.015 3.569 4.558 0.058 20 0 "[ . 1 . 2]" 1
360 1 10 CYS H 1 62 PRO HA . . 4.500 4.391 4.223 4.454 . 0 0 "[ . 1 . 2]" 1
361 1 61 ASN H 1 62 PRO HA . . 5.500 4.422 4.298 4.594 . 0 0 "[ . 1 . 2]" 1
362 1 11 GLN HA 1 62 PRO HA . . 4.500 3.596 3.466 3.714 . 0 0 "[ . 1 . 2]" 1
363 1 62 PRO QB 1 62 PRO QD . . 2.800 2.668 2.640 2.728 . 0 0 "[ . 1 . 2]" 1
364 1 11 GLN HA 1 62 PRO QB . . 3.500 2.763 2.411 3.071 . 0 0 "[ . 1 . 2]" 1
365 1 17 ASN HA 1 18 PRO QG . . 4.500 3.849 3.590 3.983 . 0 0 "[ . 1 . 2]" 1
366 1 18 PRO QG 1 19 LYS H . . 5.500 4.182 3.034 4.426 . 0 0 "[ . 1 . 2]" 1
367 1 62 PRO HA 1 62 PRO QD . . 3.500 3.271 3.152 3.341 . 0 0 "[ . 1 . 2]" 1
368 1 61 ASN H 1 62 PRO QD . . 3.500 2.950 2.815 3.116 . 0 0 "[ . 1 . 2]" 1
369 1 62 PRO QD 1 63 GLN H . . 3.500 3.254 3.130 3.371 . 0 0 "[ . 1 . 2]" 1
370 1 3 GLU HA 1 3 GLU QG . . 3.500 2.796 2.462 3.529 0.029 17 0 "[ . 1 . 2]" 1
371 1 64 LYS H 1 64 LYS HA . . 2.800 2.840 2.807 2.858 0.058 12 0 "[ . 1 . 2]" 1
372 1 52 PRO QG 1 53 LYS H . . 3.500 2.535 2.465 2.610 . 0 0 "[ . 1 . 2]" 1
373 1 64 LYS HA 1 65 ASN QB . . 4.500 4.152 3.837 4.265 . 0 0 "[ . 1 . 2]" 1
374 1 64 LYS QB 1 65 ASN H . . 3.500 2.542 2.407 2.699 . 0 0 "[ . 1 . 2]" 1
375 1 36 LYS H 1 36 LYS QG . . 3.500 2.512 1.943 3.391 . 0 0 "[ . 1 . 2]" 1
376 1 36 LYS QG 1 37 GLY H . . 4.500 4.178 3.630 4.569 0.069 5 0 "[ . 1 . 2]" 1
377 1 36 LYS HA 1 36 LYS QG . . 3.500 3.177 2.314 3.468 . 0 0 "[ . 1 . 2]" 1
378 1 64 LYS HA 1 64 LYS QG . . 3.500 2.825 2.819 2.851 . 0 0 "[ . 1 . 2]" 1
379 1 65 ASN QB 1 68 THR H . . 5.500 3.274 2.840 3.712 . 0 0 "[ . 1 . 2]" 1
380 1 65 ASN QB 1 67 TYR H . . 4.500 3.928 3.585 4.460 . 0 0 "[ . 1 . 2]" 1
381 1 66 LEU HA 1 66 LEU HG . . 3.500 3.317 3.214 3.389 . 0 0 "[ . 1 . 2]" 1
382 1 66 LEU HA 1 66 LEU QB . . 2.800 2.331 2.305 2.370 . 0 0 "[ . 1 . 2]" 1
383 1 66 LEU HA 1 69 PHE H . . 5.500 4.173 3.898 4.407 . 0 0 "[ . 1 . 2]" 1
384 1 66 LEU HA 1 67 TYR H . . 5.500 3.606 3.574 3.653 . 0 0 "[ . 1 . 2]" 1
385 1 10 CYS H 1 66 LEU HA . . 5.500 5.113 4.807 5.502 0.002 17 0 "[ . 1 . 2]" 1
386 1 66 LEU QB 1 66 LEU HG . . 2.800 2.355 2.336 2.387 . 0 0 "[ . 1 . 2]" 1
387 1 9 THR HA 1 66 LEU QB . . 4.500 4.126 3.793 4.383 . 0 0 "[ . 1 . 2]" 1
388 1 66 LEU H 1 66 LEU QB . . 3.500 2.142 2.101 2.188 . 0 0 "[ . 1 . 2]" 1
389 1 66 LEU QB 1 67 TYR H . . 4.500 2.786 2.596 2.897 . 0 0 "[ . 1 . 2]" 1
390 1 28 MET QG 1 67 TYR HA . . 2.800 2.004 1.891 2.204 . 0 0 "[ . 1 . 2]" 1
391 1 67 TYR HA 1 67 TYR QB . . 2.800 2.477 2.429 2.525 . 0 0 "[ . 1 . 2]" 1
392 1 67 TYR HA 1 69 PHE H . . 3.500 3.499 3.402 3.564 0.064 3 0 "[ . 1 . 2]" 1
393 1 67 TYR HA 1 68 THR H . . 3.500 3.439 3.373 3.520 0.020 17 0 "[ . 1 . 2]" 1
394 1 67 TYR QB 1 68 THR H . . 5.500 3.301 2.960 3.552 . 0 0 "[ . 1 . 2]" 1
395 1 67 TYR H 1 67 TYR QB . . 3.500 2.225 2.126 2.335 . 0 0 "[ . 1 . 2]" 1
396 1 68 THR HA 1 68 THR HB . . 2.800 2.494 2.471 2.520 . 0 0 "[ . 1 . 2]" 1
397 1 68 THR HA 1 71 ASN H . . 3.500 3.474 3.199 3.534 0.034 12 0 "[ . 1 . 2]" 1
398 1 68 THR H 1 68 THR HA . . 2.800 2.868 2.848 2.886 0.086 9 0 "[ . 1 . 2]" 1
399 1 67 TYR H 1 68 THR HA . . 5.500 5.346 5.275 5.492 . 0 0 "[ . 1 . 2]" 1
400 1 65 ASN H 1 68 THR HB . . 4.500 4.590 4.568 4.606 0.106 6 0 "[ . 1 . 2]" 1
401 1 70 LYS HA 1 73 ALA H . . 5.500 3.579 3.412 3.919 . 0 0 "[ . 1 . 2]" 1
402 1 70 LYS HA 1 72 GLN H . . 4.500 4.256 3.863 4.476 . 0 0 "[ . 1 . 2]" 1
403 1 70 LYS HA 1 71 ASN H . . 3.500 3.512 3.500 3.530 0.030 12 0 "[ . 1 . 2]" 1
404 1 70 LYS HA 1 71 ASN HA . . 5.500 4.802 4.740 4.883 . 0 0 "[ . 1 . 2]" 1
405 1 70 LYS HA 1 70 LYS QG . . 3.500 3.191 3.119 3.299 . 0 0 "[ . 1 . 2]" 1
406 1 70 LYS HA 1 72 GLN QG . . 5.500 4.124 3.762 4.830 . 0 0 "[ . 1 . 2]" 1
407 1 70 LYS HA 1 70 LYS QB . . 2.800 2.365 2.338 2.395 . 0 0 "[ . 1 . 2]" 1
408 1 70 LYS QB 1 71 ASN QB . . 4.500 4.318 3.853 4.538 0.038 13 0 "[ . 1 . 2]" 1
409 1 70 LYS QB 1 71 ASN HA . . 5.500 4.110 4.043 4.188 . 0 0 "[ . 1 . 2]" 1
410 1 70 LYS H 1 70 LYS QB . . 2.800 2.186 2.096 2.257 . 0 0 "[ . 1 . 2]" 1
411 1 70 LYS QB 1 71 ASN H . . 3.500 2.806 2.702 2.842 . 0 0 "[ . 1 . 2]" 1
412 1 70 LYS QE 1 70 LYS QG . . 3.500 2.199 1.922 2.869 . 0 0 "[ . 1 . 2]" 1
413 1 70 LYS HA 1 70 LYS QE . . 4.500 3.210 2.125 4.210 . 0 0 "[ . 1 . 2]" 1
414 1 4 SER QB 1 6 LYS QE . . 4.500 4.463 3.510 4.548 0.048 5 0 "[ . 1 . 2]" 1
415 1 2 ASN QD 1 6 LYS QE . . 5.500 5.281 4.104 5.528 0.028 17 0 "[ . 1 . 2]" 1
416 1 71 ASN H 1 71 ASN HA . . 2.800 2.831 2.813 2.842 0.042 15 0 "[ . 1 . 2]" 1
417 1 71 ASN HA 1 71 ASN QB . . 2.800 2.327 2.138 2.450 . 0 0 "[ . 1 . 2]" 1
418 1 68 THR HA 1 71 ASN QB . . 3.500 3.504 3.424 3.533 0.033 18 0 "[ . 1 . 2]" 1
419 1 71 ASN H 1 71 ASN QB . . 2.800 2.266 2.103 2.359 . 0 0 "[ . 1 . 2]" 1
420 1 72 GLN HA 1 73 ALA MB . . 5.500 4.834 4.640 4.940 . 0 0 "[ . 1 . 2]" 1
421 1 72 GLN H 1 72 GLN QB . . 3.500 2.658 2.550 2.727 . 0 0 "[ . 1 . 2]" 1
422 1 72 GLN H 1 72 GLN QG . . 2.800 1.802 1.729 1.925 . 0 0 "[ . 1 . 2]" 1
423 1 72 GLN QE 1 73 ALA HA . . 5.500 5.520 5.501 5.555 0.055 11 0 "[ . 1 . 2]" 1
424 1 73 ALA HA 1 74 SER H . . 3.500 2.636 2.130 3.528 0.028 14 0 "[ . 1 . 2]" 1
425 1 73 ALA H 1 73 ALA MB . . 2.800 2.292 2.260 2.379 . 0 0 "[ . 1 . 2]" 1
426 1 73 ALA MB 1 75 ASN H . . 4.500 3.533 2.883 4.530 0.030 7 0 "[ . 1 . 2]" 1
427 1 72 GLN H 1 73 ALA MB . . 5.500 4.159 3.982 4.261 . 0 0 "[ . 1 . 2]" 1
428 1 70 LYS HA 1 73 ALA MB . . 4.500 3.015 2.648 3.521 . 0 0 "[ . 1 . 2]" 1
429 1 74 SER H 1 74 SER QB . . 3.500 2.787 2.396 3.427 . 0 0 "[ . 1 . 2]" 1
430 1 41 VAL HA 1 42 THR H . . 3.500 3.303 2.352 3.507 0.007 2 0 "[ . 1 . 2]" 1
431 1 75 ASN H 1 75 ASN QB . . 3.500 2.536 2.141 2.947 . 0 0 "[ . 1 . 2]" 1
432 1 44 ASN QD 1 76 ASP HA . . 5.500 5.195 3.380 5.589 0.089 6 0 "[ . 1 . 2]" 1
433 1 76 ASP HA 1 77 LEU H . . 3.500 3.138 2.168 3.537 0.037 1 0 "[ . 1 . 2]" 1
434 1 76 ASP H 1 76 ASP HA . . 2.800 2.817 2.241 2.913 0.113 15 0 "[ . 1 . 2]" 1
435 1 76 ASP H 1 76 ASP QB . . 3.500 2.426 2.077 3.033 . 0 0 "[ . 1 . 2]" 1
436 1 77 LEU H 1 77 LEU HG . . 4.500 3.037 2.014 4.490 . 0 0 "[ . 1 . 2]" 1
437 1 78 PRO HA 1 79 ASN H . . 2.800 2.307 2.141 2.449 . 0 0 "[ . 1 . 2]" 1
438 1 78 PRO QB 1 78 PRO QD . . 3.500 2.693 2.598 2.792 . 0 0 "[ . 1 . 2]" 1
439 1 77 LEU H 1 78 PRO QD . . 5.500 4.274 2.090 4.522 . 0 0 "[ . 1 . 2]" 1
440 1 5 ALA HA 1 24 VAL QG . . 5.500 3.804 3.325 4.107 . 0 0 "[ . 1 . 2]" 1
441 1 5 ALA MB 1 24 VAL QG . . 2.800 2.310 1.959 2.807 0.007 3 0 "[ . 1 . 2]" 1
442 1 16 LEU HA 1 16 LEU QB . . 2.800 2.144 2.125 2.162 . 0 0 "[ . 1 . 2]" 1
443 1 16 LEU HA 1 16 LEU HG . . 4.500 3.696 3.666 3.729 . 0 0 "[ . 1 . 2]" 1
444 1 16 LEU HA 1 17 ASN QB . . 5.500 4.239 4.099 4.321 . 0 0 "[ . 1 . 2]" 1
445 1 16 LEU HA 1 17 ASN H . . 2.800 2.455 2.371 2.515 . 0 0 "[ . 1 . 2]" 1
446 1 16 LEU QB 1 17 ASN QB . . 5.500 4.471 4.171 4.575 . 0 0 "[ . 1 . 2]" 1
447 1 16 LEU QB 1 21 MET HA . . 5.500 5.080 4.793 5.397 . 0 0 "[ . 1 . 2]" 1
448 1 13 PHE HA 1 16 LEU QB . . 4.500 2.987 2.817 3.267 . 0 0 "[ . 1 . 2]" 1
449 1 16 LEU QB 1 17 ASN H . . 2.800 2.802 2.707 2.821 0.021 15 0 "[ . 1 . 2]" 1
450 1 71 ASN HA 1 72 GLN H . . 3.500 3.484 3.396 3.514 0.014 6 0 "[ . 1 . 2]" 1
451 1 3 GLU HA 1 4 SER QB . . 5.500 3.960 3.502 4.674 . 0 0 "[ . 1 . 2]" 1
452 1 35 TYR HA 1 36 LYS H . . 3.500 2.484 2.105 3.051 . 0 0 "[ . 1 . 2]" 1
453 1 17 ASN HA 1 17 ASN QD . . 4.500 3.935 3.104 4.102 . 0 0 "[ . 1 . 2]" 1
454 1 17 ASN HA 1 19 LYS H . . 5.500 4.071 3.972 4.337 . 0 0 "[ . 1 . 2]" 1
455 1 16 LEU QB 1 17 ASN HA . . 5.500 5.081 5.022 5.111 . 0 0 "[ . 1 . 2]" 1
456 1 45 GLU QB 1 46 THR H . . 3.500 3.053 2.877 3.218 . 0 0 "[ . 1 . 2]" 1
457 1 46 THR HA 1 49 THR H . . 4.500 3.426 3.230 3.635 . 0 0 "[ . 1 . 2]" 1
458 1 46 THR HA 1 47 ASP H . . 4.500 3.618 3.589 3.675 . 0 0 "[ . 1 . 2]" 1
459 1 52 PRO QB 1 56 GLU H . . 5.500 4.544 4.438 4.763 . 0 0 "[ . 1 . 2]" 1
460 1 50 GLN H 1 52 PRO QD . . 4.500 3.670 3.432 3.872 . 0 0 "[ . 1 . 2]" 1
461 1 54 VAL HA 1 69 PHE QB . . 4.500 3.600 3.189 3.837 . 0 0 "[ . 1 . 2]" 1
462 1 53 LYS QG 1 54 VAL QG . . 4.500 4.487 4.268 4.522 0.022 15 0 "[ . 1 . 2]" 1
463 1 57 TYR HA 1 60 LYS QD . . 2.800 2.720 2.563 2.864 0.064 18 0 "[ . 1 . 2]" 1
464 1 58 CYS HA 1 61 ASN H . . 3.500 3.244 3.002 3.500 . 0 0 "[ . 1 . 2]" 1
465 1 10 CYS QB 1 58 CYS HA . . 4.500 2.455 2.247 2.643 . 0 0 "[ . 1 . 2]" 1
466 1 59 LYS HA 1 62 PRO QD . . 4.500 3.551 3.401 3.669 . 0 0 "[ . 1 . 2]" 1
467 1 56 GLU HA 1 59 LYS QD . . 2.800 2.438 2.318 2.563 . 0 0 "[ . 1 . 2]" 1
468 1 59 LYS QD 1 60 LYS H . . 4.500 4.352 4.282 4.423 . 0 0 "[ . 1 . 2]" 1
469 1 58 CYS H 1 59 LYS QD . . 5.500 4.449 4.301 4.540 . 0 0 "[ . 1 . 2]" 1
470 1 57 TYR H 1 60 LYS QE . . 4.500 4.039 3.694 4.546 0.046 5 0 "[ . 1 . 2]" 1
471 1 56 GLU HA 1 60 LYS QE . . 5.500 4.364 3.604 5.310 . 0 0 "[ . 1 . 2]" 1
472 1 61 ASN QB 1 61 ASN QD . . 2.800 2.282 2.201 2.396 . 0 0 "[ . 1 . 2]" 1
473 1 61 ASN H 1 61 ASN QB . . 2.800 2.688 2.587 2.784 . 0 0 "[ . 1 . 2]" 1
474 1 61 ASN QB 1 64 LYS H . . 4.500 3.328 3.035 3.407 . 0 0 "[ . 1 . 2]" 1
475 1 61 ASN QB 1 63 GLN H . . 5.500 3.567 3.283 3.804 . 0 0 "[ . 1 . 2]" 1
476 1 41 VAL QG 1 42 THR HA . . 4.500 3.789 3.429 4.478 . 0 0 "[ . 1 . 2]" 1
477 1 41 VAL HA 1 42 THR HA . . 5.500 4.933 4.475 5.118 . 0 0 "[ . 1 . 2]" 1
478 1 42 THR HA 1 42 THR HB . . 2.800 2.760 2.488 2.879 0.079 16 0 "[ . 1 . 2]" 1
479 1 42 THR HA 1 43 LEU H . . 3.500 2.337 2.156 3.420 . 0 0 "[ . 1 . 2]" 1
480 1 42 THR HB 1 43 LEU H . . 3.500 3.100 2.563 3.539 0.039 9 0 "[ . 1 . 2]" 1
481 1 32 GLU QG 1 33 THR H . . 4.500 3.882 3.153 4.533 0.033 13 0 "[ . 1 . 2]" 1
482 1 32 GLU H 1 32 GLU QG . . 4.500 2.725 1.926 4.076 . 0 0 "[ . 1 . 2]" 1
483 1 13 PHE QB 1 16 LEU HG . . 5.500 5.471 5.382 5.513 0.013 16 0 "[ . 1 . 2]" 1
484 1 16 LEU H 1 16 LEU HG . . 3.500 2.978 2.788 3.134 . 0 0 "[ . 1 . 2]" 1
485 1 15 ASP H 1 16 LEU HG . . 5.500 4.868 4.673 5.001 . 0 0 "[ . 1 . 2]" 1
486 1 13 PHE HZ 1 54 VAL QG . . 4.500 3.120 2.621 3.773 . 0 0 "[ . 1 . 2]" 1
487 1 54 VAL QG 1 55 ILE H . . 3.500 2.662 2.502 2.787 . 0 0 "[ . 1 . 2]" 1
488 1 30 HIS HD2 1 41 VAL QG . . 5.500 5.201 3.588 5.545 0.045 11 0 "[ . 1 . 2]" 1
489 1 41 VAL QG 1 42 THR H . . 3.500 3.017 2.472 3.532 0.032 15 0 "[ . 1 . 2]" 1
490 1 33 THR HA 1 33 THR HB . . 2.800 2.480 2.428 2.548 . 0 0 "[ . 1 . 2]" 1
491 1 33 THR HB 1 34 VAL H . . 5.500 4.024 2.577 4.609 . 0 0 "[ . 1 . 2]" 1
492 1 40 THR HB 1 41 VAL H . . 4.500 4.301 3.257 4.537 0.037 18 0 "[ . 1 . 2]" 1
493 1 69 PHE HA 1 70 LYS HA . . 5.500 4.745 4.647 4.872 . 0 0 "[ . 1 . 2]" 1
494 1 69 PHE HA 1 71 ASN H . . 4.500 3.794 3.631 3.939 . 0 0 "[ . 1 . 2]" 1
495 1 69 PHE H 1 69 PHE HA . . 2.800 2.819 2.794 2.833 0.033 18 0 "[ . 1 . 2]" 1
496 1 8 MET QB 1 66 LEU QB . . 5.500 2.478 2.305 2.765 . 0 0 "[ . 1 . 2]" 1
497 1 43 LEU H 1 43 LEU QB . . 3.500 2.401 2.156 3.476 . 0 0 "[ . 1 . 2]" 1
498 1 48 LEU QB 1 49 THR H . . 4.500 2.813 2.632 2.982 . 0 0 "[ . 1 . 2]" 1
499 1 48 LEU H 1 48 LEU QB . . 3.500 2.453 2.362 2.541 . 0 0 "[ . 1 . 2]" 1
500 1 44 ASN QB 1 45 GLU QB . . 5.500 4.370 3.995 4.629 . 0 0 "[ . 1 . 2]" 1
501 1 44 ASN HA 1 44 ASN QB . . 2.800 2.243 2.177 2.358 . 0 0 "[ . 1 . 2]" 1
502 1 44 ASN QB 1 46 THR H . . 5.500 3.159 2.386 3.540 . 0 0 "[ . 1 . 2]" 1
503 1 44 ASN QB 1 45 GLU H . . 3.500 2.481 2.277 2.636 . 0 0 "[ . 1 . 2]" 1
504 1 24 VAL HA 1 25 ALA H . . 3.500 3.529 3.479 3.552 0.052 11 0 "[ . 1 . 2]" 1
505 1 5 ALA HA 1 8 MET H . . 4.500 3.288 3.178 3.415 . 0 0 "[ . 1 . 2]" 1
506 1 19 LYS HA 1 20 ALA HA . . 5.500 4.562 4.246 4.639 . 0 0 "[ . 1 . 2]" 1
507 1 15 ASP QB 1 16 LEU H . . 4.500 3.329 3.216 3.454 . 0 0 "[ . 1 . 2]" 1
508 1 15 ASP H 1 15 ASP QB . . 2.800 2.392 2.362 2.421 . 0 0 "[ . 1 . 2]" 1
509 1 12 GLU HA 1 15 ASP QB . . 4.500 2.488 2.369 2.575 . 0 0 "[ . 1 . 2]" 1
510 1 8 MET H 1 66 LEU HG . . 5.500 5.533 5.467 5.559 0.059 14 0 "[ . 1 . 2]" 1
511 1 66 LEU H 1 66 LEU HG . . 4.500 4.437 4.361 4.515 0.015 15 0 "[ . 1 . 2]" 1
512 1 66 LEU HG 1 67 TYR H . . 5.500 3.776 3.509 3.977 . 0 0 "[ . 1 . 2]" 1
513 1 47 ASP QB 1 48 LEU HG . . 5.500 3.453 3.217 4.639 . 0 0 "[ . 1 . 2]" 1
514 1 48 LEU H 1 48 LEU HG . . 2.800 2.270 2.125 2.376 . 0 0 "[ . 1 . 2]" 1
515 1 48 LEU HG 1 49 THR H . . 5.500 4.496 4.337 4.611 . 0 0 "[ . 1 . 2]" 1
516 1 30 HIS HA 1 70 LYS QD . . 3.500 3.546 3.507 3.635 0.135 4 0 "[ . 1 . 2]" 1
517 1 1 ALA HA 1 2 ASN H . . 3.500 2.394 2.119 2.630 . 0 0 "[ . 1 . 2]" 1
518 1 77 LEU HA 1 78 PRO QD . . 3.500 2.160 1.980 3.521 0.021 4 0 "[ . 1 . 2]" 1
519 1 52 PRO QD 1 53 LYS QG . . 4.500 3.922 3.827 4.187 . 0 0 "[ . 1 . 2]" 1
520 1 36 LYS QE 1 77 LEU QB . . 3.500 3.423 2.833 3.537 0.037 15 0 "[ . 1 . 2]" 1
521 1 20 ALA MB 1 24 VAL HB . . 5.500 4.963 4.526 5.509 0.009 12 0 "[ . 1 . 2]" 1
522 1 34 VAL QG 1 36 LYS QE . . 4.500 3.721 2.319 4.511 0.011 12 0 "[ . 1 . 2]" 1
523 1 34 VAL QG 1 35 TYR H . . 2.800 2.425 1.923 2.838 0.038 5 0 "[ . 1 . 2]" 1
524 1 12 GLU H 1 12 GLU HA . . 2.800 2.888 2.863 2.898 0.098 1 0 "[ . 1 . 2]" 1
525 1 15 ASP HA 1 15 ASP QB . . 2.800 2.386 2.372 2.397 . 0 0 "[ . 1 . 2]" 1
526 1 22 THR HA 1 22 THR HG1 . . 3.500 3.295 3.124 3.635 0.135 12 0 "[ . 1 . 2]" 1
527 1 46 THR HA 1 49 THR HB . . 3.500 2.670 2.354 3.155 . 0 0 "[ . 1 . 2]" 1
528 1 48 LEU H 1 49 THR HB . . 5.500 4.936 4.805 5.041 . 0 0 "[ . 1 . 2]" 1
529 1 45 GLU QG 1 48 LEU QB . . 5.500 3.931 3.676 4.238 . 0 0 "[ . 1 . 2]" 1
530 1 49 THR H 1 50 GLN QB . . 4.500 4.495 4.408 4.516 0.016 13 0 "[ . 1 . 2]" 1
531 1 50 GLN QG 1 54 VAL QG . . 5.500 4.284 4.055 4.696 . 0 0 "[ . 1 . 2]" 1
532 1 53 LYS HA 1 54 VAL QG . . 5.500 4.469 4.408 4.584 . 0 0 "[ . 1 . 2]" 1
533 1 53 LYS QB 1 54 VAL QG . . 5.500 3.182 2.909 3.340 . 0 0 "[ . 1 . 2]" 1
534 1 53 LYS QD 1 54 VAL QG . . 5.500 5.202 4.316 5.370 . 0 0 "[ . 1 . 2]" 1
535 1 73 ALA MB 1 74 SER QB . . 5.500 4.901 4.417 5.169 . 0 0 "[ . 1 . 2]" 1
536 1 2 ASN H 1 3 GLU H . . 5.500 2.845 2.116 3.705 . 0 0 "[ . 1 . 2]" 1
537 1 2 ASN H 1 3 GLU QG . . 5.500 4.613 3.992 4.912 . 0 0 "[ . 1 . 2]" 1
538 1 2 ASN H 1 3 GLU HA . . 5.500 5.327 4.750 5.509 0.009 6 0 "[ . 1 . 2]" 1
539 1 3 GLU H 1 3 GLU QG . . 4.500 2.769 2.389 3.671 . 0 0 "[ . 1 . 2]" 1
540 1 4 SER H 1 5 ALA MB . . 5.500 5.012 4.561 5.520 0.020 8 0 "[ . 1 . 2]" 1
541 1 3 GLU H 1 4 SER H . . 4.500 3.521 2.595 4.488 . 0 0 "[ . 1 . 2]" 1
542 1 4 SER H 1 5 ALA H . . 4.500 3.620 3.141 4.355 . 0 0 "[ . 1 . 2]" 1
543 1 5 ALA H 1 6 LYS H . . 3.500 2.764 2.566 2.926 . 0 0 "[ . 1 . 2]" 1
544 1 4 SER QB 1 6 LYS H . . 5.500 3.981 3.060 4.415 . 0 0 "[ . 1 . 2]" 1
545 1 5 ALA HA 1 6 LYS H . . 4.500 3.565 3.492 3.633 . 0 0 "[ . 1 . 2]" 1
546 1 6 LYS H 1 8 MET H . . 5.500 4.124 4.029 4.245 . 0 0 "[ . 1 . 2]" 1
547 1 4 SER H 1 6 LYS H . . 5.500 5.444 5.212 5.555 0.055 20 0 "[ . 1 . 2]" 1
548 1 26 TRP QB 1 28 MET H . . 5.500 4.863 4.731 5.028 . 0 0 "[ . 1 . 2]" 1
549 1 6 LYS HA 1 7 ASP H . . 3.500 3.433 3.240 3.524 0.024 15 0 "[ . 1 . 2]" 1
550 1 7 ASP H 1 8 MET H . . 2.800 2.402 2.086 2.792 . 0 0 "[ . 1 . 2]" 1
551 1 5 ALA H 1 7 ASP H . . 5.500 4.277 4.108 4.471 . 0 0 "[ . 1 . 2]" 1
552 1 6 LYS HA 1 8 MET H . . 5.500 4.036 3.696 4.475 . 0 0 "[ . 1 . 2]" 1
553 1 8 MET H 1 9 THR H . . 5.500 4.602 4.546 4.681 . 0 0 "[ . 1 . 2]" 1
554 1 9 THR H 1 13 PHE H . . 5.500 4.410 4.122 4.518 . 0 0 "[ . 1 . 2]" 1
555 1 9 THR H 1 10 CYS H . . 5.500 4.696 4.532 4.738 . 0 0 "[ . 1 . 2]" 1
556 1 10 CYS H 1 66 LEU QB . . 5.500 4.680 4.467 4.875 . 0 0 "[ . 1 . 2]" 1
557 1 10 CYS H 1 11 GLN HA . . 5.500 5.460 5.223 5.490 . 0 0 "[ . 1 . 2]" 1
558 1 10 CYS H 1 64 LYS H . . 5.500 4.111 3.907 4.217 . 0 0 "[ . 1 . 2]" 1
559 1 10 CYS H 1 12 GLU H . . 5.500 4.208 3.870 4.299 . 0 0 "[ . 1 . 2]" 1
560 1 10 CYS H 1 13 PHE H . . 5.500 4.677 4.437 4.739 . 0 0 "[ . 1 . 2]" 1
561 1 10 CYS H 1 11 GLN H . . 3.500 2.862 2.580 2.906 . 0 0 "[ . 1 . 2]" 1
562 1 11 GLN H 1 62 PRO HA . . 3.500 3.059 3.009 3.111 . 0 0 "[ . 1 . 2]" 1
563 1 11 GLN H 1 12 GLU H . . 3.500 2.791 2.723 2.854 . 0 0 "[ . 1 . 2]" 1
564 1 9 THR H 1 11 GLN H . . 5.500 5.544 5.523 5.556 0.056 17 0 "[ . 1 . 2]" 1
565 1 12 GLU H 1 13 PHE HA . . 5.500 5.134 5.077 5.282 . 0 0 "[ . 1 . 2]" 1
566 1 12 GLU H 1 13 PHE H . . 3.500 2.500 2.432 2.700 . 0 0 "[ . 1 . 2]" 1
567 1 9 THR H 1 12 GLU H . . 5.500 3.991 3.862 4.089 . 0 0 "[ . 1 . 2]" 1
568 1 13 PHE H 1 13 PHE QB . . 3.500 2.231 2.183 2.278 . 0 0 "[ . 1 . 2]" 1
569 1 12 GLU HA 1 13 PHE H . . 5.500 3.584 3.570 3.614 . 0 0 "[ . 1 . 2]" 1
570 1 10 CYS HA 1 13 PHE H . . 3.500 3.070 2.965 3.163 . 0 0 "[ . 1 . 2]" 1
571 1 11 GLN H 1 13 PHE H . . 5.500 4.246 4.126 4.347 . 0 0 "[ . 1 . 2]" 1
572 1 13 PHE QB 1 14 ILE H . . 3.500 2.502 2.470 2.545 . 0 0 "[ . 1 . 2]" 1
573 1 13 PHE HA 1 14 ILE H . . 5.500 3.606 3.588 3.624 . 0 0 "[ . 1 . 2]" 1
574 1 11 GLN QE 1 14 ILE H . . 5.500 4.564 4.453 4.761 . 0 0 "[ . 1 . 2]" 1
575 1 14 ILE H 1 15 ASP H . . 2.800 2.809 2.799 2.823 0.023 4 0 "[ . 1 . 2]" 1
576 1 12 GLU H 1 14 ILE H . . 5.500 4.355 4.238 4.579 . 0 0 "[ . 1 . 2]" 1
577 1 11 GLN H 1 14 ILE H . . 5.500 5.099 5.032 5.201 . 0 0 "[ . 1 . 2]" 1
578 1 14 ILE QG 1 15 ASP H . . 3.500 3.152 3.037 3.241 . 0 0 "[ . 1 . 2]" 1
579 1 12 GLU HA 1 15 ASP H . . 3.500 3.506 3.417 3.528 0.028 16 0 "[ . 1 . 2]" 1
580 1 13 PHE HA 1 15 ASP H . . 5.500 3.706 3.658 3.786 . 0 0 "[ . 1 . 2]" 1
581 1 11 GLN QE 1 15 ASP H . . 5.500 4.427 4.257 4.680 . 0 0 "[ . 1 . 2]" 1
582 1 15 ASP H 1 16 LEU H . . 3.500 2.187 2.112 2.255 . 0 0 "[ . 1 . 2]" 1
583 1 18 PRO HA 1 19 LYS H . . 3.500 3.522 3.469 3.560 0.060 16 0 "[ . 1 . 2]" 1
584 1 17 ASN QB 1 20 ALA H . . 5.500 3.003 2.792 3.362 . 0 0 "[ . 1 . 2]" 1
585 1 19 LYS HA 1 20 ALA H . . 3.500 3.569 3.515 3.598 0.098 19 0 "[ . 1 . 2]" 1
586 1 20 ALA H 1 21 MET H . . 2.800 2.656 2.300 2.757 . 0 0 "[ . 1 . 2]" 1
587 1 20 ALA H 1 22 THR H . . 5.500 4.754 4.518 5.123 . 0 0 "[ . 1 . 2]" 1
588 1 21 MET H 1 22 THR HG1 . . 5.500 4.590 4.268 5.164 . 0 0 "[ . 1 . 2]" 1
589 1 21 MET H 1 21 MET QG . . 4.500 3.064 2.372 3.792 . 0 0 "[ . 1 . 2]" 1
590 1 21 MET H 1 22 THR H . . 3.500 2.900 2.756 2.991 . 0 0 "[ . 1 . 2]" 1
591 1 22 THR H 1 22 THR HG1 . . 3.500 2.268 2.077 3.024 . 0 0 "[ . 1 . 2]" 1
592 1 22 THR H 1 24 VAL H . . 5.500 4.450 4.112 4.740 . 0 0 "[ . 1 . 2]" 1
593 1 24 VAL H 1 25 ALA H . . 2.800 2.725 2.561 2.821 0.021 10 0 "[ . 1 . 2]" 1
594 1 24 VAL H 1 26 TRP H . . 5.500 4.093 3.877 4.567 . 0 0 "[ . 1 . 2]" 1
595 1 25 ALA H 1 26 TRP QB . . 5.500 4.641 4.515 4.783 . 0 0 "[ . 1 . 2]" 1
596 1 25 ALA H 1 28 MET H . . 5.500 5.061 4.757 5.506 0.006 2 0 "[ . 1 . 2]" 1
597 1 25 ALA H 1 27 TRP H . . 5.500 4.500 4.013 5.021 . 0 0 "[ . 1 . 2]" 1
598 1 25 ALA H 1 26 TRP H . . 3.500 2.739 2.606 2.963 . 0 0 "[ . 1 . 2]" 1
599 1 26 TRP H 1 28 MET QB . . 5.500 4.809 4.619 5.054 . 0 0 "[ . 1 . 2]" 1
600 1 26 TRP H 1 26 TRP HD1 . . 5.500 5.299 4.989 5.471 . 0 0 "[ . 1 . 2]" 1
601 1 26 TRP H 1 28 MET H . . 5.500 4.152 3.904 4.381 . 0 0 "[ . 1 . 2]" 1
602 1 26 TRP H 1 27 TRP H . . 3.500 2.669 2.243 2.947 . 0 0 "[ . 1 . 2]" 1
603 1 27 TRP H 1 28 MET H . . 3.500 2.863 2.794 2.965 . 0 0 "[ . 1 . 2]" 1
604 1 30 HIS H 1 30 HIS QB . . 3.500 2.451 2.198 2.755 . 0 0 "[ . 1 . 2]" 1
605 1 29 LEU HA 1 30 HIS H . . 5.500 3.531 3.324 3.601 . 0 0 "[ . 1 . 2]" 1
606 1 30 HIS H 1 31 GLU H . . 4.500 2.808 1.970 4.069 . 0 0 "[ . 1 . 2]" 1
607 1 71 ASN QB 1 72 GLN H . . 3.500 3.119 2.793 3.530 0.030 12 0 "[ . 1 . 2]" 1
608 1 36 LYS H 1 37 GLY H . . 5.500 3.641 2.555 4.581 . 0 0 "[ . 1 . 2]" 1
609 1 36 LYS HA 1 38 GLY H . . 5.500 4.266 3.184 5.313 . 0 0 "[ . 1 . 2]" 1
610 1 59 LYS H 1 59 LYS QB . . 2.800 2.799 2.741 2.816 0.016 18 0 "[ . 1 . 2]" 1
611 1 59 LYS H 1 60 LYS H . . 2.800 2.792 2.745 2.815 0.015 15 0 "[ . 1 . 2]" 1
612 1 39 ASP H 1 40 THR H . . 4.500 2.789 2.016 4.484 . 0 0 "[ . 1 . 2]" 1
613 1 43 LEU H 1 44 ASN H . . 5.500 4.115 2.810 4.599 . 0 0 "[ . 1 . 2]" 1
614 1 45 GLU QG 1 46 THR H . . 5.500 4.309 4.180 4.557 . 0 0 "[ . 1 . 2]" 1
615 1 46 THR H 1 47 ASP H . . 3.500 2.700 2.508 2.886 . 0 0 "[ . 1 . 2]" 1
616 1 45 GLU H 1 46 THR H . . 4.500 2.855 2.756 2.936 . 0 0 "[ . 1 . 2]" 1
617 1 47 ASP H 1 48 LEU HG . . 5.500 4.524 4.225 4.638 . 0 0 "[ . 1 . 2]" 1
618 1 47 ASP H 1 49 THR H . . 5.500 4.053 3.861 4.234 . 0 0 "[ . 1 . 2]" 1
619 1 45 GLU H 1 47 ASP H . . 5.500 4.459 4.232 4.783 . 0 0 "[ . 1 . 2]" 1
620 1 44 ASN H 1 47 ASP H . . 5.500 3.755 2.972 4.342 . 0 0 "[ . 1 . 2]" 1
621 1 48 LEU H 1 49 THR H . . 5.500 2.686 2.610 2.759 . 0 0 "[ . 1 . 2]" 1
622 1 49 THR H 1 50 GLN H . . 3.500 2.500 2.386 2.605 . 0 0 "[ . 1 . 2]" 1
623 1 53 LYS H 1 54 VAL QG . . 4.500 3.703 3.628 3.733 . 0 0 "[ . 1 . 2]" 1
624 1 53 LYS H 1 54 VAL H . . 2.800 2.810 2.761 2.840 0.040 3 0 "[ . 1 . 2]" 1
625 1 53 LYS H 1 56 GLU H . . 5.500 4.837 4.741 5.022 . 0 0 "[ . 1 . 2]" 1
626 1 53 LYS H 1 55 ILE H . . 5.500 4.127 4.045 4.256 . 0 0 "[ . 1 . 2]" 1
627 1 54 VAL H 1 56 GLU H . . 5.500 4.474 4.351 4.531 . 0 0 "[ . 1 . 2]" 1
628 1 55 ILE H 1 56 GLU HA . . 5.500 5.117 5.016 5.240 . 0 0 "[ . 1 . 2]" 1
629 1 55 ILE H 1 56 GLU H . . 3.500 2.458 2.351 2.587 . 0 0 "[ . 1 . 2]" 1
630 1 56 GLU H 1 57 TYR H . . 3.500 2.895 2.840 2.962 . 0 0 "[ . 1 . 2]" 1
631 1 56 GLU H 1 58 CYS H . . 5.500 4.179 4.068 4.279 . 0 0 "[ . 1 . 2]" 1
632 1 55 ILE H 1 57 TYR H . . 5.500 3.823 3.679 3.977 . 0 0 "[ . 1 . 2]" 1
633 1 58 CYS H 1 60 LYS H . . 5.500 4.042 3.866 4.199 . 0 0 "[ . 1 . 2]" 1
634 1 60 LYS H 1 62 PRO QD . . 5.500 4.246 4.150 4.307 . 0 0 "[ . 1 . 2]" 1
635 1 60 LYS QG 1 61 ASN H . . 4.500 3.411 2.466 4.465 . 0 0 "[ . 1 . 2]" 1
636 1 60 LYS HA 1 61 ASN H . . 3.500 3.515 3.499 3.528 0.028 7 0 "[ . 1 . 2]" 1
637 1 61 ASN H 1 61 ASN QD . . 3.500 3.153 2.766 3.503 0.003 2 0 "[ . 1 . 2]" 1
638 1 61 ASN H 1 64 LYS H . . 5.500 5.529 5.509 5.563 0.063 9 0 "[ . 1 . 2]" 1
639 1 58 CYS H 1 61 ASN H . . 5.500 4.578 4.433 4.717 . 0 0 "[ . 1 . 2]" 1
640 1 63 GLN H 1 64 LYS QG . . 4.500 3.581 3.514 3.674 . 0 0 "[ . 1 . 2]" 1
641 1 63 GLN H 1 64 LYS QB . . 4.500 4.531 4.516 4.544 0.044 13 0 "[ . 1 . 2]" 1
642 1 62 PRO HA 1 63 GLN H . . 4.500 3.435 3.403 3.489 . 0 0 "[ . 1 . 2]" 1
643 1 63 GLN H 1 63 GLN HA . . 2.800 2.888 2.864 2.902 0.102 3 0 "[ . 1 . 2]" 1
644 1 10 CYS H 1 63 GLN H . . 5.500 5.448 5.265 5.525 0.025 8 0 "[ . 1 . 2]" 1
645 1 63 GLN H 1 64 LYS H . . 2.800 2.464 2.388 2.530 . 0 0 "[ . 1 . 2]" 1
646 1 64 LYS H 1 65 ASN H . . 5.500 4.717 4.679 4.765 . 0 0 "[ . 1 . 2]" 1
647 1 65 ASN H 1 65 ASN QB . . 3.500 2.315 2.195 2.410 . 0 0 "[ . 1 . 2]" 1
648 1 65 ASN H 1 68 THR H . . 5.500 4.461 4.101 4.781 . 0 0 "[ . 1 . 2]" 1
649 1 66 LEU H 1 67 TYR QB . . 5.500 4.909 4.587 5.432 . 0 0 "[ . 1 . 2]" 1
650 1 65 ASN QB 1 66 LEU H . . 5.500 3.738 3.580 3.995 . 0 0 "[ . 1 . 2]" 1
651 1 65 ASN QD 1 66 LEU H . . 5.500 4.200 3.750 4.723 . 0 0 "[ . 1 . 2]" 1
652 1 66 LEU H 1 67 TYR H . . 4.500 3.009 2.749 3.392 . 0 0 "[ . 1 . 2]" 1
653 1 10 CYS H 1 66 LEU H . . 5.500 4.218 3.916 4.466 . 0 0 "[ . 1 . 2]" 1
654 1 65 ASN QD 1 67 TYR H . . 5.500 3.160 2.653 4.432 . 0 0 "[ . 1 . 2]" 1
655 1 67 TYR H 1 68 THR H . . 3.500 2.747 2.663 2.927 . 0 0 "[ . 1 . 2]" 1
656 1 68 THR H 1 71 ASN QD . . 5.500 5.241 4.430 5.493 . 0 0 "[ . 1 . 2]" 1
657 1 68 THR H 1 69 PHE H . . 2.800 2.758 2.667 2.818 0.018 5 0 "[ . 1 . 2]" 1
658 1 69 PHE H 1 72 GLN QG . . 5.500 4.818 4.654 5.073 . 0 0 "[ . 1 . 2]" 1
659 1 69 PHE H 1 70 LYS HA . . 5.500 5.416 5.350 5.503 0.003 12 0 "[ . 1 . 2]" 1
660 1 68 THR HA 1 69 PHE H . . 4.500 3.522 3.459 3.559 . 0 0 "[ . 1 . 2]" 1
661 1 68 THR HB 1 69 PHE H . . 5.500 4.138 3.904 4.439 . 0 0 "[ . 1 . 2]" 1
662 1 69 PHE H 1 71 ASN H . . 5.500 4.434 4.344 4.516 . 0 0 "[ . 1 . 2]" 1
663 1 67 TYR H 1 69 PHE H . . 5.500 4.391 4.188 4.580 . 0 0 "[ . 1 . 2]" 1
664 1 54 VAL HA 1 72 GLN QE . . 5.500 3.336 3.215 3.514 . 0 0 "[ . 1 . 2]" 1
665 1 67 TYR QB 1 70 LYS H . . 5.500 4.489 4.281 4.696 . 0 0 "[ . 1 . 2]" 1
666 1 67 TYR HA 1 70 LYS H . . 5.500 3.531 3.238 3.819 . 0 0 "[ . 1 . 2]" 1
667 1 68 THR HA 1 70 LYS H . . 4.500 3.513 3.252 3.681 . 0 0 "[ . 1 . 2]" 1
668 1 70 LYS H 1 71 ASN H . . 2.800 2.498 2.284 2.772 . 0 0 "[ . 1 . 2]" 1
669 1 69 PHE H 1 70 LYS H . . 3.500 2.882 2.797 2.966 . 0 0 "[ . 1 . 2]" 1
670 1 70 LYS QG 1 71 ASN H . . 4.500 3.758 3.454 3.947 . 0 0 "[ . 1 . 2]" 1
671 1 73 ALA MB 1 74 SER H . . 3.500 3.190 1.966 3.552 0.052 4 0 "[ . 1 . 2]" 1
672 1 74 SER H 1 75 ASN H . . 4.500 3.200 2.422 4.340 . 0 0 "[ . 1 . 2]" 1
673 1 74 SER QB 1 75 ASN H . . 4.500 3.488 2.522 3.962 . 0 0 "[ . 1 . 2]" 1
674 1 73 ALA HA 1 75 ASN H . . 5.500 4.212 3.332 5.332 . 0 0 "[ . 1 . 2]" 1
675 1 75 ASN H 1 75 ASN HA . . 2.800 2.610 2.176 2.928 0.128 8 0 "[ . 1 . 2]" 1
676 1 76 ASP H 1 77 LEU HG . . 5.500 4.990 3.700 5.565 0.065 9 0 "[ . 1 . 2]" 1
677 1 75 ASN HA 1 76 ASP H . . 3.500 2.920 2.206 3.577 0.077 15 0 "[ . 1 . 2]" 1
678 1 76 ASP H 1 77 LEU H . . 5.500 3.026 1.798 4.119 . 0 0 "[ . 1 . 2]" 1
679 1 76 ASP QB 1 77 LEU H . . 4.500 3.463 2.297 4.110 . 0 0 "[ . 1 . 2]" 1
680 1 68 THR HA 1 71 ASN QD . . 5.500 3.043 2.165 3.643 . 0 0 "[ . 1 . 2]" 1
681 1 11 GLN QE 1 14 ILE QG . . 5.500 2.358 2.285 2.412 . 0 0 "[ . 1 . 2]" 1
682 1 63 GLN QE 1 64 LYS QG . . 5.500 4.648 4.132 4.800 . 0 0 "[ . 1 . 2]" 1
683 1 57 TYR HA 1 61 ASN QD . . 5.500 3.698 2.862 4.655 . 0 0 "[ . 1 . 2]" 1
684 1 16 LEU H 1 16 LEU QB . . 3.500 2.312 2.260 2.381 . 0 0 "[ . 1 . 2]" 1
685 1 13 PHE HA 1 16 LEU H . . 4.500 3.404 3.236 3.539 . 0 0 "[ . 1 . 2]" 1
686 1 33 THR HA 1 34 VAL H . . 3.500 2.663 2.168 3.515 0.015 18 0 "[ . 1 . 2]" 1
687 1 34 VAL H 1 35 TYR H . . 5.500 4.179 2.259 4.598 . 0 0 "[ . 1 . 2]" 1
688 1 29 LEU HG 1 50 GLN H . . 5.500 5.208 4.713 5.503 0.003 7 0 "[ . 1 . 2]" 1
689 1 17 ASN H 1 17 ASN QD . . 5.500 4.671 4.600 4.783 . 0 0 "[ . 1 . 2]" 1
690 1 17 ASN QD 1 19 LYS QB . . 4.500 2.718 1.988 3.196 . 0 0 "[ . 1 . 2]" 1
691 1 32 GLU HA 1 33 THR H . . 5.500 2.983 2.158 3.396 . 0 0 "[ . 1 . 2]" 1
692 1 34 VAL HB 1 35 TYR H . . 5.500 4.153 3.919 4.345 . 0 0 "[ . 1 . 2]" 1
693 1 44 ASN HA 1 45 GLU H . . 3.500 2.521 2.440 2.625 . 0 0 "[ . 1 . 2]" 1
694 1 4 SER QB 1 7 ASP H . . 5.500 2.766 2.376 3.105 . 0 0 "[ . 1 . 2]" 1
695 1 13 PHE HZ 1 55 ILE QG . . 5.500 2.622 2.226 2.971 . 0 0 "[ . 1 . 2]" 1
696 1 13 PHE HZ 1 25 ALA MB . . 5.500 2.567 2.214 3.149 . 0 0 "[ . 1 . 2]" 1
697 1 13 PHE HZ 1 21 MET QG . . 5.500 3.404 2.598 4.733 . 0 0 "[ . 1 . 2]" 1
698 1 13 PHE HZ 1 25 ALA H . . 5.500 4.356 4.016 4.815 . 0 0 "[ . 1 . 2]" 1
699 1 26 TRP HD1 1 47 ASP QB . . 5.500 3.527 2.815 4.413 . 0 0 "[ . 1 . 2]" 1
700 1 26 TRP QB 1 26 TRP HZ3 . . 5.500 4.910 4.784 5.430 . 0 0 "[ . 1 . 2]" 1
701 2 1 ALA HA 2 3 GLU QG . . 5.500 4.335 3.699 5.588 0.088 12 0 "[ . 1 . 2]" 1
702 2 1 ALA HA 2 3 GLU H . . 5.500 4.002 3.455 5.660 0.160 16 0 "[ . 1 . 2]" 1
703 2 1 ALA MB 2 2 ASN H . . 3.500 2.383 2.072 3.513 0.013 12 0 "[ . 1 . 2]" 1
704 2 1 ALA MB 2 3 GLU H . . 4.500 4.473 3.198 4.580 0.080 4 0 "[ . 1 . 2]" 1
705 2 1 ALA MB 2 3 GLU QG . . 5.500 5.086 3.696 5.401 . 0 0 "[ . 1 . 2]" 1
706 2 2 ASN HA 2 3 GLU H . . 3.500 2.628 2.053 3.550 0.050 5 0 "[ . 1 . 2]" 1
707 2 2 ASN HA 2 3 GLU QG . . 5.500 4.836 3.477 5.274 . 0 0 "[ . 1 . 2]" 1
708 2 1 ALA MB 2 2 ASN HA . . 5.500 4.007 3.711 4.190 . 0 0 "[ . 1 . 2]" 1
709 2 2 ASN H 2 2 ASN HA . . 2.800 2.276 2.182 2.894 0.094 12 0 "[ . 1 . 2]" 1
710 2 2 ASN QB 2 3 GLU H . . 4.500 3.851 2.382 4.144 . 0 0 "[ . 1 . 2]" 1
711 2 3 GLU HA 2 4 SER H . . 3.500 2.935 2.360 3.462 . 0 0 "[ . 1 . 2]" 1
712 2 3 GLU H 2 3 GLU HA . . 2.800 2.807 2.239 2.935 0.135 14 0 "[ . 1 . 2]" 1
713 2 3 GLU QB 2 5 ALA H . . 5.500 5.105 3.627 5.520 0.020 17 0 "[ . 1 . 2]" 1
714 2 3 GLU QB 2 4 SER H . . 4.500 2.829 2.256 3.385 . 0 0 "[ . 1 . 2]" 1
715 2 3 GLU H 2 3 GLU QB . . 3.500 2.476 1.928 3.407 . 0 0 "[ . 1 . 2]" 1
716 2 3 GLU HA 2 3 GLU QB . . 2.800 2.378 2.165 2.520 . 0 0 "[ . 1 . 2]" 1
717 2 3 GLU QG 2 4 SER H . . 4.500 4.306 2.581 4.544 0.044 4 0 "[ . 1 . 2]" 1
718 2 4 SER QB 2 5 ALA H . . 4.500 3.974 3.805 4.061 . 0 0 "[ . 1 . 2]" 1
719 2 4 SER H 2 4 SER QB . . 3.500 2.763 2.033 3.500 . 0 0 "[ . 1 . 2]" 1
720 2 4 SER QB 2 6 LYS QG . . 5.500 4.835 2.868 5.615 0.115 3 0 "[ . 1 . 2]" 1
721 2 5 ALA H 2 5 ALA HA . . 2.800 2.823 2.809 2.857 0.057 16 0 "[ . 1 . 2]" 1
722 2 5 ALA HA 2 8 MET QG . . 5.500 4.518 4.200 4.733 . 0 0 "[ . 1 . 2]" 1
723 2 5 ALA H 2 5 ALA MB . . 2.800 2.218 2.166 2.254 . 0 0 "[ . 1 . 2]" 1
724 2 5 ALA MB 2 8 MET H . . 5.500 4.588 4.380 4.681 . 0 0 "[ . 1 . 2]" 1
725 2 5 ALA MB 2 6 LYS H . . 3.500 2.622 2.414 2.836 . 0 0 "[ . 1 . 2]" 1
726 2 6 LYS HA 2 67 TYR H . . 5.500 3.934 3.328 4.322 . 0 0 "[ . 1 . 2]" 1
727 2 5 ALA H 2 6 LYS HA . . 5.500 5.450 5.334 5.511 0.011 4 0 "[ . 1 . 2]" 1
728 2 6 LYS HA 2 65 ASN QD . . 5.500 4.088 3.962 4.223 . 0 0 "[ . 1 . 2]" 1
729 2 5 ALA HA 2 6 LYS HA . . 5.500 4.967 4.825 5.054 . 0 0 "[ . 1 . 2]" 1
730 2 6 LYS HA 2 6 LYS QE . . 4.500 4.165 3.930 4.323 . 0 0 "[ . 1 . 2]" 1
731 2 5 ALA MB 2 6 LYS HA . . 4.500 4.041 3.951 4.163 . 0 0 "[ . 1 . 2]" 1
732 2 6 LYS HA 2 6 LYS QB . . 2.800 2.354 2.160 2.511 . 0 0 "[ . 1 . 2]" 1
733 2 6 LYS HA 2 6 LYS QG . . 3.500 2.668 2.281 3.376 . 0 0 "[ . 1 . 2]" 1
734 2 5 ALA H 2 6 LYS QB . . 5.500 4.658 4.294 5.066 . 0 0 "[ . 1 . 2]" 1
735 2 6 LYS H 2 6 LYS QB . . 2.800 2.327 2.199 2.517 . 0 0 "[ . 1 . 2]" 1
736 2 6 LYS QB 2 6 LYS QE . . 3.500 2.404 2.038 2.806 . 0 0 "[ . 1 . 2]" 1
737 2 6 LYS H 2 6 LYS QG . . 3.500 2.362 1.956 3.515 0.015 17 0 "[ . 1 . 2]" 1
738 2 6 LYS QE 2 6 LYS QG . . 2.800 2.249 2.102 2.798 . 0 0 "[ . 1 . 2]" 1
739 2 5 ALA H 2 6 LYS QD . . 5.500 5.364 4.399 5.503 0.003 20 0 "[ . 1 . 2]" 1
740 2 6 LYS H 2 6 LYS QD . . 3.500 3.618 2.511 3.728 0.228 3 0 "[ . 1 . 2]" 1
741 2 6 LYS HA 2 6 LYS QD . . 4.500 4.168 2.567 4.523 0.023 8 0 "[ . 1 . 2]" 1
742 2 6 LYS H 2 6 LYS QE . . 3.500 2.489 2.254 2.685 . 0 0 "[ . 1 . 2]" 1
743 2 7 ASP H 2 7 ASP QB . . 2.800 2.536 2.341 2.732 . 0 0 "[ . 1 . 2]" 1
744 2 7 ASP QB 2 8 MET H . . 4.500 3.738 3.652 3.858 . 0 0 "[ . 1 . 2]" 1
745 2 4 SER H 2 7 ASP QB . . 5.500 5.033 4.124 5.527 0.027 15 0 "[ . 1 . 2]" 1
746 2 8 MET HA 2 8 MET QG . . 2.800 2.324 2.265 2.384 . 0 0 "[ . 1 . 2]" 1
747 2 8 MET HA 2 13 PHE H . . 5.500 5.475 5.361 5.531 0.031 15 0 "[ . 1 . 2]" 1
748 2 8 MET HA 2 9 THR H . . 2.800 2.248 2.202 2.289 . 0 0 "[ . 1 . 2]" 1
749 2 5 ALA HA 2 8 MET QB . . 4.500 2.638 2.384 2.772 . 0 0 "[ . 1 . 2]" 1
750 2 8 MET H 2 8 MET QB . . 3.500 2.189 2.163 2.239 . 0 0 "[ . 1 . 2]" 1
751 2 8 MET QB 2 13 PHE H . . 5.500 4.709 4.585 4.823 . 0 0 "[ . 1 . 2]" 1
752 2 8 MET QB 2 9 THR H . . 4.500 3.838 3.709 3.920 . 0 0 "[ . 1 . 2]" 1
753 2 8 MET QG 2 13 PHE QB . . 5.500 2.960 2.613 3.440 . 0 0 "[ . 1 . 2]" 1
754 2 8 MET H 2 8 MET QG . . 4.500 3.895 3.859 3.924 . 0 0 "[ . 1 . 2]" 1
755 2 8 MET QG 2 9 THR H . . 3.500 2.753 2.403 2.971 . 0 0 "[ . 1 . 2]" 1
756 2 9 THR HB 2 11 GLN H . . 5.500 4.529 2.752 4.987 . 0 0 "[ . 1 . 2]" 1
757 2 9 THR HB 2 10 CYS H . . 4.500 3.615 2.126 4.003 . 0 0 "[ . 1 . 2]" 1
758 2 10 CYS HA 2 11 GLN H . . 5.500 3.580 3.543 3.600 . 0 0 "[ . 1 . 2]" 1
759 2 10 CYS QB 2 11 GLN HA . . 5.500 4.124 4.045 4.210 . 0 0 "[ . 1 . 2]" 1
760 2 10 CYS QB 2 62 PRO HA . . 2.800 2.125 2.072 2.164 . 0 0 "[ . 1 . 2]" 1
761 2 10 CYS QB 2 64 LYS H . . 3.500 2.793 2.599 2.972 . 0 0 "[ . 1 . 2]" 1
762 2 10 CYS QB 2 11 GLN H . . 3.500 2.936 2.872 3.043 . 0 0 "[ . 1 . 2]" 1
763 2 10 CYS H 2 10 CYS QB . . 2.800 2.206 2.147 2.287 . 0 0 "[ . 1 . 2]" 1
764 2 11 GLN HA 2 11 GLN QE . . 4.500 2.503 2.448 2.776 . 0 0 "[ . 1 . 2]" 1
765 2 11 GLN HA 2 12 GLU H . . 3.500 3.534 3.505 3.597 0.097 6 0 "[ . 1 . 2]" 1
766 2 11 GLN H 2 11 GLN HA . . 2.800 2.842 2.822 2.864 0.064 4 0 "[ . 1 . 2]" 1
767 2 11 GLN H 2 11 GLN QB . . 2.800 2.215 2.120 2.236 . 0 0 "[ . 1 . 2]" 1
768 2 11 GLN HA 2 11 GLN QG . . 3.500 3.002 2.390 3.085 . 0 0 "[ . 1 . 2]" 1
769 2 11 GLN QG 2 12 GLU H . . 5.500 3.979 3.694 4.742 . 0 0 "[ . 1 . 2]" 1
770 2 11 GLN H 2 11 GLN QG . . 4.500 4.034 3.766 4.076 . 0 0 "[ . 1 . 2]" 1
771 2 9 THR H 2 12 GLU HA . . 5.500 5.485 5.147 5.554 0.054 19 0 "[ . 1 . 2]" 1
772 2 56 GLU H 2 56 GLU HA . . 2.800 2.827 2.821 2.836 0.036 3 0 "[ . 1 . 2]" 1
773 2 9 THR H 2 12 GLU QB . . 3.500 2.475 2.184 2.613 . 0 0 "[ . 1 . 2]" 1
774 2 12 GLU QB 2 13 PHE H . . 3.500 2.660 2.556 2.726 . 0 0 "[ . 1 . 2]" 1
775 2 12 GLU H 2 12 GLU QB . . 2.800 2.193 2.117 2.295 . 0 0 "[ . 1 . 2]" 1
776 2 8 MET HA 2 12 GLU QB . . 5.500 3.709 3.493 3.957 . 0 0 "[ . 1 . 2]" 1
777 2 12 GLU QB 2 13 PHE HA . . 5.500 4.318 3.818 4.446 . 0 0 "[ . 1 . 2]" 1
778 2 9 THR H 2 12 GLU QG . . 5.500 4.000 3.410 4.208 . 0 0 "[ . 1 . 2]" 1
779 2 12 GLU H 2 12 GLU QG . . 4.500 3.825 2.511 3.986 . 0 0 "[ . 1 . 2]" 1
780 2 8 MET HA 2 12 GLU QG . . 5.500 4.312 4.134 4.828 . 0 0 "[ . 1 . 2]" 1
781 2 12 GLU HA 2 12 GLU QG . . 3.500 2.477 2.249 2.601 . 0 0 "[ . 1 . 2]" 1
782 2 13 PHE HA 2 16 LEU HG . . 4.500 3.980 3.251 4.101 . 0 0 "[ . 1 . 2]" 1
783 2 12 GLU H 2 13 PHE QB . . 5.500 4.208 4.110 4.484 . 0 0 "[ . 1 . 2]" 1
784 2 13 PHE QB 2 15 ASP H . . 5.500 4.441 4.402 4.528 . 0 0 "[ . 1 . 2]" 1
785 2 10 CYS HA 2 13 PHE QB . . 4.500 2.274 2.180 2.396 . 0 0 "[ . 1 . 2]" 1
786 2 13 PHE QB 2 66 LEU QB . . 5.500 2.891 2.744 3.016 . 0 0 "[ . 1 . 2]" 1
787 2 14 ILE H 2 14 ILE HA . . 2.800 2.850 2.840 2.872 0.072 14 0 "[ . 1 . 2]" 1
788 2 14 ILE HA 2 15 ASP H . . 3.500 3.368 3.285 3.501 0.001 6 0 "[ . 1 . 2]" 1
789 2 14 ILE HA 2 21 MET QG . . 5.500 5.124 4.649 5.505 0.005 15 0 "[ . 1 . 2]" 1
790 2 14 ILE HA 2 14 ILE HB . . 2.800 2.374 2.329 2.409 . 0 0 "[ . 1 . 2]" 1
791 2 14 ILE HA 2 14 ILE QG . . 3.500 3.352 3.333 3.361 . 0 0 "[ . 1 . 2]" 1
792 2 14 ILE H 2 14 ILE HB . . 3.500 3.582 3.576 3.595 0.095 14 0 "[ . 1 . 2]" 1
793 2 14 ILE HB 2 15 ASP H . . 5.500 4.367 4.292 4.468 . 0 0 "[ . 1 . 2]" 1
794 2 11 GLN QE 2 14 ILE HB . . 5.500 4.517 4.421 4.598 . 0 0 "[ . 1 . 2]" 1
795 2 14 ILE HB 2 14 ILE QG . . 2.800 2.280 2.262 2.303 . 0 0 "[ . 1 . 2]" 1
796 2 14 ILE H 2 14 ILE QG . . 3.500 2.098 1.990 2.151 . 0 0 "[ . 1 . 2]" 1
797 2 18 PRO HA 2 18 PRO QG . . 3.500 2.895 2.665 3.494 . 0 0 "[ . 1 . 2]" 1
798 2 18 PRO HA 2 18 PRO QD . . 3.500 3.332 3.204 3.413 . 0 0 "[ . 1 . 2]" 1
799 2 18 PRO HA 2 21 MET H . . 5.500 3.116 2.902 3.309 . 0 0 "[ . 1 . 2]" 1
800 2 18 PRO QB 2 18 PRO QD . . 3.500 2.628 2.429 2.734 . 0 0 "[ . 1 . 2]" 1
801 2 17 ASN HA 2 18 PRO QB . . 5.500 4.762 4.626 4.838 . 0 0 "[ . 1 . 2]" 1
802 2 18 PRO QB 2 19 LYS H . . 4.500 3.317 2.772 3.817 . 0 0 "[ . 1 . 2]" 1
803 2 34 VAL H 2 34 VAL HB . . 3.500 2.731 2.188 3.551 0.051 19 0 "[ . 1 . 2]" 1
804 2 17 ASN QB 2 18 PRO QD . . 4.500 3.521 2.841 3.587 . 0 0 "[ . 1 . 2]" 1
805 2 18 PRO QD 2 19 LYS QE . . 5.500 5.386 4.916 5.520 0.020 6 0 "[ . 1 . 2]" 1
806 2 17 ASN HA 2 18 PRO QD . . 2.800 1.972 1.936 2.086 . 0 0 "[ . 1 . 2]" 1
807 2 17 ASN H 2 18 PRO QD . . 4.500 4.425 4.368 4.552 0.052 11 0 "[ . 1 . 2]" 1
808 2 17 ASN QD 2 18 PRO QD . . 5.500 3.686 2.922 4.128 . 0 0 "[ . 1 . 2]" 1
809 2 18 PRO QD 2 19 LYS H . . 4.500 2.989 2.817 3.287 . 0 0 "[ . 1 . 2]" 1
810 2 19 LYS HA 2 19 LYS QG . . 3.500 2.344 2.264 2.476 . 0 0 "[ . 1 . 2]" 1
811 2 19 LYS HA 2 19 LYS QB . . 2.800 2.414 2.365 2.455 . 0 0 "[ . 1 . 2]" 1
812 2 19 LYS HA 2 19 LYS QE . . 4.500 4.394 4.216 4.504 0.004 14 0 "[ . 1 . 2]" 1
813 2 19 LYS HA 2 21 MET H . . 5.500 4.395 3.875 4.598 . 0 0 "[ . 1 . 2]" 1
814 2 19 LYS H 2 19 LYS HA . . 2.800 2.886 2.843 2.945 0.145 10 0 "[ . 1 . 2]" 1
815 2 19 LYS QB 2 19 LYS QE . . 3.500 3.518 3.392 3.579 0.079 8 0 "[ . 1 . 2]" 1
816 2 19 LYS H 2 19 LYS QB . . 2.800 2.293 2.186 2.411 . 0 0 "[ . 1 . 2]" 1
817 2 19 LYS QE 2 19 LYS QG . . 2.800 2.023 1.962 2.066 . 0 0 "[ . 1 . 2]" 1
818 2 19 LYS H 2 19 LYS QG . . 3.500 3.008 2.258 3.507 0.007 10 0 "[ . 1 . 2]" 1
819 2 19 LYS H 2 19 LYS QD . . 4.500 2.952 2.572 3.998 . 0 0 "[ . 1 . 2]" 1
820 2 17 ASN QD 2 19 LYS QE . . 5.500 3.798 3.614 4.344 . 0 0 "[ . 1 . 2]" 1
821 2 19 LYS H 2 19 LYS QE . . 4.500 4.542 4.498 4.599 0.099 9 0 "[ . 1 . 2]" 1
822 2 20 ALA HA 2 23 PRO QD . . 4.500 2.524 2.384 2.790 . 0 0 "[ . 1 . 2]" 1
823 2 20 ALA HA 2 21 MET H . . 3.500 3.376 2.872 3.508 0.008 13 0 "[ . 1 . 2]" 1
824 2 20 ALA HA 2 24 VAL H . . 5.500 4.431 4.242 4.644 . 0 0 "[ . 1 . 2]" 1
825 2 20 ALA HA 2 22 THR H . . 5.500 3.880 3.586 4.396 . 0 0 "[ . 1 . 2]" 1
826 2 20 ALA MB 2 21 MET HA . . 4.500 4.359 4.204 4.508 0.008 3 0 "[ . 1 . 2]" 1
827 2 20 ALA MB 2 21 MET H . . 3.500 3.279 3.071 3.578 0.078 15 0 "[ . 1 . 2]" 1
828 2 20 ALA H 2 20 ALA MB . . 2.800 2.270 2.107 2.587 . 0 0 "[ . 1 . 2]" 1
829 2 21 MET HA 2 24 VAL QG . . 3.500 2.346 2.007 2.903 . 0 0 "[ . 1 . 2]" 1
830 2 21 MET HA 2 21 MET QG . . 2.800 2.471 2.339 2.663 . 0 0 "[ . 1 . 2]" 1
831 2 21 MET HA 2 23 PRO QD . . 5.500 4.590 4.345 4.747 . 0 0 "[ . 1 . 2]" 1
832 2 13 PHE HZ 2 21 MET HA . . 5.500 4.667 4.374 4.945 . 0 0 "[ . 1 . 2]" 1
833 2 20 ALA H 2 21 MET HA . . 5.500 5.113 4.491 5.268 . 0 0 "[ . 1 . 2]" 1
834 2 21 MET HA 2 22 THR H . . 3.500 3.574 3.544 3.644 0.144 17 0 "[ . 1 . 2]" 1
835 2 21 MET HA 2 25 ALA H . . 4.500 3.884 3.728 4.139 . 0 0 "[ . 1 . 2]" 1
836 2 21 MET H 2 21 MET QB . . 2.800 2.254 2.198 2.412 . 0 0 "[ . 1 . 2]" 1
837 2 72 GLN HA 2 72 GLN QB . . 2.800 2.175 2.169 2.183 . 0 0 "[ . 1 . 2]" 1
838 2 22 THR HA 2 25 ALA MB . . 3.500 2.614 2.378 2.880 . 0 0 "[ . 1 . 2]" 1
839 2 22 THR HA 2 23 PRO QD . . 4.500 3.629 3.593 3.654 . 0 0 "[ . 1 . 2]" 1
840 2 22 THR H 2 22 THR HA . . 2.800 2.808 2.682 2.861 0.061 9 0 "[ . 1 . 2]" 1
841 2 22 THR HB 2 22 THR HG1 . . 2.800 2.196 2.032 2.350 . 0 0 "[ . 1 . 2]" 1
842 2 22 THR HB 2 25 ALA MB . . 5.500 5.211 4.997 5.386 . 0 0 "[ . 1 . 2]" 1
843 2 22 THR HB 2 23 PRO QD . . 2.800 2.106 2.001 2.167 . 0 0 "[ . 1 . 2]" 1
844 2 22 THR H 2 22 THR HB . . 3.500 2.651 2.543 2.933 . 0 0 "[ . 1 . 2]" 1
845 2 23 PRO HA 2 26 TRP QB . . 3.500 2.963 2.674 3.397 . 0 0 "[ . 1 . 2]" 1
846 2 22 THR HB 2 23 PRO HA . . 5.500 4.801 4.494 4.887 . 0 0 "[ . 1 . 2]" 1
847 2 23 PRO HA 2 24 VAL H . . 3.500 3.612 3.583 3.638 0.138 20 0 "[ . 1 . 2]" 1
848 2 23 PRO HA 2 25 ALA H . . 5.500 4.648 4.469 4.782 . 0 0 "[ . 1 . 2]" 1
849 2 23 PRO HA 2 26 TRP H . . 3.500 3.559 3.516 3.600 0.100 5 0 "[ . 1 . 2]" 1
850 2 23 PRO QB 2 26 TRP H . . 5.500 4.957 4.868 5.096 . 0 0 "[ . 1 . 2]" 1
851 2 20 ALA HA 2 23 PRO QG . . 5.500 2.272 2.152 2.644 . 0 0 "[ . 1 . 2]" 1
852 2 22 THR HG1 2 23 PRO QD . . 3.500 3.540 3.520 3.578 0.078 15 0 "[ . 1 . 2]" 1
853 2 23 PRO QD 2 25 ALA MB . . 5.500 4.974 4.805 5.172 . 0 0 "[ . 1 . 2]" 1
854 2 21 MET H 2 23 PRO QD . . 5.500 4.000 3.443 4.254 . 0 0 "[ . 1 . 2]" 1
855 2 23 PRO QD 2 24 VAL H . . 5.500 3.400 3.138 3.550 . 0 0 "[ . 1 . 2]" 1
856 2 20 ALA H 2 23 PRO QD . . 5.500 4.714 4.541 4.906 . 0 0 "[ . 1 . 2]" 1
857 2 22 THR H 2 23 PRO QD . . 3.500 2.490 2.361 2.725 . 0 0 "[ . 1 . 2]" 1
858 2 24 VAL HA 2 24 VAL QG . . 2.800 2.234 2.174 2.283 . 0 0 "[ . 1 . 2]" 1
859 2 24 VAL H 2 24 VAL HA . . 2.800 2.870 2.846 2.896 0.096 15 0 "[ . 1 . 2]" 1
860 2 24 VAL HA 2 26 TRP H . . 5.500 4.114 3.841 4.616 . 0 0 "[ . 1 . 2]" 1
861 2 24 VAL H 2 24 VAL HB . . 2.800 2.609 2.536 2.696 . 0 0 "[ . 1 . 2]" 1
862 2 78 PRO QB 2 79 ASN H . . 5.500 2.880 2.607 3.329 . 0 0 "[ . 1 . 2]" 1
863 2 24 VAL HB 2 25 ALA H . . 4.500 3.607 2.380 4.147 . 0 0 "[ . 1 . 2]" 1
864 2 24 VAL HB 2 26 TRP H . . 5.500 5.465 4.922 5.686 0.186 2 0 "[ . 1 . 2]" 1
865 2 24 VAL H 2 24 VAL QG . . 2.800 2.213 2.015 2.318 . 0 0 "[ . 1 . 2]" 1
866 2 24 VAL QG 2 25 ALA H . . 3.500 2.627 2.230 3.386 . 0 0 "[ . 1 . 2]" 1
867 2 24 VAL QG 2 26 TRP H . . 5.500 4.366 4.168 4.822 . 0 0 "[ . 1 . 2]" 1
868 2 25 ALA HA 2 54 VAL QG . . 3.500 3.014 2.407 3.501 0.001 3 0 "[ . 1 . 2]" 1
869 2 24 VAL QG 2 25 ALA HA . . 4.500 3.373 3.275 3.697 . 0 0 "[ . 1 . 2]" 1
870 2 25 ALA HA 2 28 MET QB . . 4.500 2.989 2.621 3.423 . 0 0 "[ . 1 . 2]" 1
871 2 24 VAL H 2 25 ALA HA . . 5.500 5.389 5.290 5.448 . 0 0 "[ . 1 . 2]" 1
872 2 25 ALA HA 2 27 TRP H . . 5.500 5.013 4.779 5.113 . 0 0 "[ . 1 . 2]" 1
873 2 25 ALA HA 2 26 TRP H . . 4.500 3.593 3.548 3.648 . 0 0 "[ . 1 . 2]" 1
874 2 25 ALA MB 2 54 VAL QG . . 3.500 2.333 2.185 2.704 . 0 0 "[ . 1 . 2]" 1
875 2 24 VAL HB 2 25 ALA MB . . 5.500 4.982 3.661 5.541 0.041 19 0 "[ . 1 . 2]" 1
876 2 25 ALA MB 2 26 TRP QB . . 5.500 4.031 3.807 4.241 . 0 0 "[ . 1 . 2]" 1
877 2 24 VAL H 2 25 ALA MB . . 4.500 4.345 4.179 4.445 . 0 0 "[ . 1 . 2]" 1
878 2 25 ALA MB 2 27 TRP H . . 5.500 4.993 4.800 5.086 . 0 0 "[ . 1 . 2]" 1
879 2 25 ALA H 2 25 ALA MB . . 2.800 2.197 2.175 2.219 . 0 0 "[ . 1 . 2]" 1
880 2 25 ALA MB 2 26 TRP H . . 3.500 2.827 2.606 2.988 . 0 0 "[ . 1 . 2]" 1
881 2 26 TRP HA 2 29 LEU HG . . 4.500 4.368 4.016 4.561 0.061 2 0 "[ . 1 . 2]" 1
882 2 26 TRP HA 2 29 LEU QB . . 4.500 2.617 2.318 2.888 . 0 0 "[ . 1 . 2]" 1
883 2 26 TRP HA 2 29 LEU H . . 4.500 3.326 2.892 3.775 . 0 0 "[ . 1 . 2]" 1
884 2 26 TRP HA 2 27 TRP H . . 5.500 3.716 3.612 3.773 . 0 0 "[ . 1 . 2]" 1
885 2 25 ALA H 2 26 TRP HA . . 5.500 5.383 5.293 5.500 0.000 1 0 "[ . 1 . 2]" 1
886 2 26 TRP QB 2 27 TRP H . . 5.500 2.673 2.341 3.132 . 0 0 "[ . 1 . 2]" 1
887 2 26 TRP H 2 26 TRP QB . . 3.500 2.333 2.266 2.393 . 0 0 "[ . 1 . 2]" 1
888 2 26 TRP HZ3 2 27 TRP HA . . 3.500 3.214 2.822 3.591 0.091 2 0 "[ . 1 . 2]" 1
889 2 26 TRP HZ3 2 27 TRP QB . . 5.500 3.619 2.641 5.246 . 0 0 "[ . 1 . 2]" 1
890 2 27 TRP QB 2 28 MET H . . 3.500 2.838 2.479 3.136 . 0 0 "[ . 1 . 2]" 1
891 2 27 TRP H 2 27 TRP QB . . 3.500 2.154 2.031 2.225 . 0 0 "[ . 1 . 2]" 1
892 2 28 MET HA 2 28 MET QG . . 3.500 2.410 2.259 2.518 . 0 0 "[ . 1 . 2]" 1
893 2 27 TRP H 2 28 MET HA . . 5.500 5.504 5.429 5.633 0.133 10 0 "[ . 1 . 2]" 1
894 2 28 MET HA 2 31 GLU H . . 5.500 4.442 3.402 5.587 0.087 17 0 "[ . 1 . 2]" 1
895 2 28 MET H 2 28 MET QB . . 3.500 2.170 2.108 2.267 . 0 0 "[ . 1 . 2]" 1
896 2 29 LEU HA 2 54 VAL QG . . 5.500 4.499 3.954 5.153 . 0 0 "[ . 1 . 2]" 1
897 2 29 LEU HA 2 29 LEU QB . . 2.800 2.501 2.384 2.575 . 0 0 "[ . 1 . 2]" 1
898 2 29 LEU HA 2 70 LYS QE . . 5.500 4.136 2.870 5.030 . 0 0 "[ . 1 . 2]" 1
899 2 29 LEU H 2 29 LEU HA . . 2.800 2.850 2.801 2.899 0.099 6 0 "[ . 1 . 2]" 1
900 2 29 LEU H 2 29 LEU QB . . 3.500 2.069 2.014 2.193 . 0 0 "[ . 1 . 2]" 1
901 2 29 LEU HG 2 54 VAL QG . . 3.500 3.371 2.965 3.573 0.073 14 0 "[ . 1 . 2]" 1
902 2 29 LEU QB 2 29 LEU HG . . 2.800 2.131 2.079 2.198 . 0 0 "[ . 1 . 2]" 1
903 2 29 LEU HG 2 47 ASP HA . . 4.500 3.832 3.081 4.338 . 0 0 "[ . 1 . 2]" 1
904 2 29 LEU H 2 29 LEU HG . . 4.500 4.262 3.952 4.509 0.009 4 0 "[ . 1 . 2]" 1
905 2 71 ASN HA 2 72 GLN HA . . 5.500 4.870 4.848 4.894 . 0 0 "[ . 1 . 2]" 1
906 2 72 GLN HA 2 73 ALA H . . 3.500 3.507 3.486 3.518 0.018 17 0 "[ . 1 . 2]" 1
907 2 72 GLN QB 2 73 ALA H . . 3.500 3.547 3.523 3.565 0.065 19 0 "[ . 1 . 2]" 1
908 2 31 GLU HA 2 31 GLU QG . . 2.800 2.371 2.207 2.605 . 0 0 "[ . 1 . 2]" 1
909 2 64 LYS HA 2 65 ASN H . . 2.800 2.433 2.377 2.509 . 0 0 "[ . 1 . 2]" 1
910 2 63 GLN H 2 63 GLN QB . . 2.800 2.502 2.437 2.738 . 0 0 "[ . 1 . 2]" 1
911 2 72 GLN HA 2 72 GLN QG . . 3.500 3.366 3.354 3.380 . 0 0 "[ . 1 . 2]" 1
912 2 72 GLN H 2 72 GLN HA . . 2.800 2.844 2.832 2.862 0.062 18 0 "[ . 1 . 2]" 1
913 2 71 ASN H 2 72 GLN QB . . 5.500 5.028 4.932 5.141 . 0 0 "[ . 1 . 2]" 1
914 2 72 GLN QG 2 73 ALA MB . . 5.500 2.535 2.407 2.729 . 0 0 "[ . 1 . 2]" 1
915 2 69 PHE HA 2 72 GLN QG . . 2.800 2.355 2.134 2.587 . 0 0 "[ . 1 . 2]" 1
916 2 71 ASN HA 2 72 GLN QG . . 5.500 4.831 4.748 4.901 . 0 0 "[ . 1 . 2]" 1
917 2 72 GLN QE 2 72 GLN QG . . 2.800 2.221 2.196 2.240 . 0 0 "[ . 1 . 2]" 1
918 2 71 ASN H 2 72 GLN QG . . 3.500 3.544 3.524 3.558 0.058 10 0 "[ . 1 . 2]" 1
919 2 72 GLN QG 2 73 ALA H . . 4.500 2.369 2.277 2.458 . 0 0 "[ . 1 . 2]" 1
920 2 34 VAL HA 2 34 VAL MG2 . . 2.800 2.221 2.094 2.343 . 0 0 "[ . 1 . 2]" 1
921 2 34 VAL HA 2 35 TYR H . . 3.500 2.272 2.071 3.134 . 0 0 "[ . 1 . 2]" 1
922 2 35 TYR H 2 35 TYR HA . . 2.800 2.852 2.188 2.950 0.150 14 0 "[ . 1 . 2]" 1
923 2 54 VAL QG 2 69 PHE QB . . 4.500 2.512 2.252 3.376 . 0 0 "[ . 1 . 2]" 1
924 2 17 ASN HA 2 17 ASN QB . . 2.800 2.285 2.093 2.366 . 0 0 "[ . 1 . 2]" 1
925 2 17 ASN H 2 17 ASN QB . . 2.800 2.260 2.134 2.429 . 0 0 "[ . 1 . 2]" 1
926 2 17 ASN QB 2 19 LYS H . . 4.500 3.643 3.585 3.771 . 0 0 "[ . 1 . 2]" 1
927 2 36 LYS HA 2 36 LYS QB . . 2.800 2.206 2.124 2.436 . 0 0 "[ . 1 . 2]" 1
928 2 36 LYS HA 2 37 GLY H . . 3.500 2.581 2.127 3.416 . 0 0 "[ . 1 . 2]" 1
929 2 63 GLN QG 2 64 LYS QG . . 5.500 4.231 2.580 5.019 . 0 0 "[ . 1 . 2]" 1
930 2 64 LYS H 2 64 LYS QG . . 2.800 2.176 2.069 2.279 . 0 0 "[ . 1 . 2]" 1
931 2 64 LYS QG 2 65 ASN H . . 5.500 4.372 4.289 4.456 . 0 0 "[ . 1 . 2]" 1
932 2 36 LYS H 2 36 LYS QD . . 4.500 3.921 2.061 4.578 0.078 18 0 "[ . 1 . 2]" 1
933 2 36 LYS QE 2 36 LYS QG . . 2.800 2.263 2.080 2.855 0.055 13 0 "[ . 1 . 2]" 1
934 2 36 LYS H 2 36 LYS QE . . 4.500 3.365 2.476 4.112 . 0 0 "[ . 1 . 2]" 1
935 2 44 ASN HA 2 45 GLU QB . . 5.500 4.795 4.676 4.909 . 0 0 "[ . 1 . 2]" 1
936 2 45 GLU H 2 45 GLU QB . . 2.800 2.546 2.421 2.746 . 0 0 "[ . 1 . 2]" 1
937 2 53 LYS HA 2 56 GLU QG . . 3.500 3.364 3.130 3.544 0.044 14 0 "[ . 1 . 2]" 1
938 2 45 GLU HA 2 45 GLU QG . . 2.800 2.408 2.340 2.576 . 0 0 "[ . 1 . 2]" 1
939 2 56 GLU H 2 56 GLU QG . . 3.500 2.369 2.194 2.683 . 0 0 "[ . 1 . 2]" 1
940 2 45 GLU H 2 45 GLU QG . . 3.500 2.227 2.143 2.495 . 0 0 "[ . 1 . 2]" 1
941 2 45 GLU H 2 46 THR HA . . 5.500 5.460 5.396 5.518 0.018 4 0 "[ . 1 . 2]" 1
942 2 45 GLU QB 2 46 THR HB . . 5.500 5.220 4.945 5.374 . 0 0 "[ . 1 . 2]" 1
943 2 44 ASN QD 2 46 THR HB . . 5.500 4.264 2.908 4.981 . 0 0 "[ . 1 . 2]" 1
944 2 46 THR H 2 46 THR HB . . 2.800 2.566 2.443 2.697 . 0 0 "[ . 1 . 2]" 1
945 2 46 THR HB 2 47 ASP H . . 3.500 2.666 2.516 2.908 . 0 0 "[ . 1 . 2]" 1
946 2 45 GLU H 2 46 THR HB . . 5.500 5.094 4.894 5.291 . 0 0 "[ . 1 . 2]" 1
947 2 50 GLN HA 2 53 LYS QG . . 3.500 2.941 2.589 3.510 0.010 1 0 "[ . 1 . 2]" 1
948 2 50 GLN HA 2 50 GLN QE . . 5.500 3.375 2.312 3.595 . 0 0 "[ . 1 . 2]" 1
949 2 50 GLN HA 2 53 LYS H . . 3.500 3.066 2.970 3.241 . 0 0 "[ . 1 . 2]" 1
950 2 74 SER HA 2 75 ASN H . . 3.500 2.796 2.196 3.521 0.021 8 0 "[ . 1 . 2]" 1
951 2 47 ASP QB 2 48 LEU H . . 4.500 2.474 2.261 2.682 . 0 0 "[ . 1 . 2]" 1
952 2 47 ASP H 2 47 ASP QB . . 3.500 2.438 2.176 2.603 . 0 0 "[ . 1 . 2]" 1
953 2 44 ASN H 2 47 ASP QB . . 4.500 2.634 1.874 3.618 . 0 0 "[ . 1 . 2]" 1
954 2 60 LYS HA 2 62 PRO QD . . 4.500 3.514 3.315 3.605 . 0 0 "[ . 1 . 2]" 1
955 2 60 LYS H 2 60 LYS HA . . 2.800 2.877 2.855 2.903 0.103 2 0 "[ . 1 . 2]" 1
956 2 77 LEU QB 2 78 PRO QD . . 5.500 2.369 2.129 3.228 . 0 0 "[ . 1 . 2]" 1
957 2 77 LEU H 2 77 LEU QB . . 3.500 3.005 2.346 3.436 . 0 0 "[ . 1 . 2]" 1
958 2 49 THR HA 2 52 PRO QG . . 4.500 3.338 3.050 3.610 . 0 0 "[ . 1 . 2]" 1
959 2 49 THR HA 2 52 PRO QD . . 3.500 3.329 3.177 3.464 . 0 0 "[ . 1 . 2]" 1
960 2 49 THR HA 2 50 GLN H . . 4.500 3.589 3.569 3.605 . 0 0 "[ . 1 . 2]" 1
961 2 49 THR HA 2 51 ILE H . . 5.500 4.657 4.460 4.788 . 0 0 "[ . 1 . 2]" 1
962 2 29 LEU HG 2 50 GLN QB . . 3.500 2.649 2.204 2.844 . 0 0 "[ . 1 . 2]" 1
963 2 50 GLN QB 2 51 ILE H . . 4.500 2.952 2.801 3.078 . 0 0 "[ . 1 . 2]" 1
964 2 51 ILE H 2 51 ILE QG . . 3.500 3.353 2.197 3.584 0.084 4 0 "[ . 1 . 2]" 1
965 2 49 THR H 2 49 THR HB . . 3.500 2.578 2.512 2.711 . 0 0 "[ . 1 . 2]" 1
966 2 49 THR HB 2 50 GLN H . . 3.500 2.874 2.776 3.002 . 0 0 "[ . 1 . 2]" 1
967 2 50 GLN H 2 50 GLN QB . . 3.500 2.318 2.271 2.345 . 0 0 "[ . 1 . 2]" 1
968 2 49 THR HB 2 50 GLN QG . . 3.500 3.272 3.175 3.488 . 0 0 "[ . 1 . 2]" 1
969 2 50 GLN QG 2 53 LYS H . . 5.500 5.544 5.498 5.595 0.095 3 0 "[ . 1 . 2]" 1
970 2 31 GLU QG 2 33 THR H . . 4.500 4.260 2.053 4.592 0.092 16 0 "[ . 1 . 2]" 1
971 2 51 ILE HA 2 54 VAL QG . . 2.800 2.269 2.129 2.424 . 0 0 "[ . 1 . 2]" 1
972 2 29 LEU HG 2 51 ILE HA . . 4.500 4.492 4.120 4.621 0.121 15 0 "[ . 1 . 2]" 1
973 2 51 ILE HA 2 51 ILE QG . . 3.500 2.423 2.238 3.279 . 0 0 "[ . 1 . 2]" 1
974 2 51 ILE HA 2 53 LYS H . . 4.500 4.516 4.399 4.557 0.057 1 0 "[ . 1 . 2]" 1
975 2 51 ILE HA 2 55 ILE H . . 5.500 4.839 4.306 5.142 . 0 0 "[ . 1 . 2]" 1
976 2 51 ILE HA 2 54 VAL H . . 4.500 3.822 3.678 3.946 . 0 0 "[ . 1 . 2]" 1
977 2 51 ILE HB 2 52 PRO QD . . 2.800 2.572 2.151 2.742 . 0 0 "[ . 1 . 2]" 1
978 2 48 LEU HA 2 51 ILE HB . . 5.500 3.315 2.865 4.225 . 0 0 "[ . 1 . 2]" 1
979 2 51 ILE HB 2 53 LYS H . . 5.500 5.391 5.092 5.486 . 0 0 "[ . 1 . 2]" 1
980 2 51 ILE H 2 51 ILE HB . . 3.500 2.353 2.199 2.937 . 0 0 "[ . 1 . 2]" 1
981 2 47 ASP QB 2 51 ILE QG . . 5.500 4.284 3.526 5.508 0.008 4 0 "[ . 1 . 2]" 1
982 2 52 PRO HA 2 55 ILE QG . . 4.500 3.423 2.862 3.679 . 0 0 "[ . 1 . 2]" 1
983 2 52 PRO HA 2 52 PRO QG . . 3.500 3.513 3.506 3.521 0.021 6 0 "[ . 1 . 2]" 1
984 2 52 PRO HA 2 53 LYS H . . 5.500 3.627 3.601 3.665 . 0 0 "[ . 1 . 2]" 1
985 2 52 PRO HA 2 55 ILE H . . 4.500 3.491 3.280 3.652 . 0 0 "[ . 1 . 2]" 1
986 2 52 PRO HA 2 56 GLU H . . 5.500 4.218 3.873 4.614 . 0 0 "[ . 1 . 2]" 1
987 2 52 PRO HA 2 54 VAL H . . 5.500 4.467 4.327 4.534 . 0 0 "[ . 1 . 2]" 1
988 2 52 PRO QB 2 55 ILE QG . . 5.500 4.978 4.510 5.187 . 0 0 "[ . 1 . 2]" 1
989 2 52 PRO QB 2 52 PRO QD . . 3.500 2.698 2.612 2.732 . 0 0 "[ . 1 . 2]" 1
990 2 52 PRO QB 2 55 ILE H . . 5.500 4.856 4.780 4.939 . 0 0 "[ . 1 . 2]" 1
991 2 52 PRO QD 2 53 LYS H . . 3.500 2.938 2.870 3.044 . 0 0 "[ . 1 . 2]" 1
992 2 51 ILE H 2 52 PRO QD . . 3.500 2.567 2.480 2.621 . 0 0 "[ . 1 . 2]" 1
993 2 53 LYS HA 2 53 LYS QG . . 3.500 2.816 2.269 3.025 . 0 0 "[ . 1 . 2]" 1
994 2 53 LYS H 2 53 LYS HA . . 2.800 2.849 2.840 2.859 0.059 8 0 "[ . 1 . 2]" 1
995 2 53 LYS HA 2 55 ILE H . . 5.500 4.042 3.813 4.287 . 0 0 "[ . 1 . 2]" 1
996 2 53 LYS HA 2 56 GLU H . . 3.500 3.259 3.042 3.503 0.003 16 0 "[ . 1 . 2]" 1
997 2 53 LYS HA 2 54 VAL H . . 3.500 3.531 3.508 3.576 0.076 16 0 "[ . 1 . 2]" 1
998 2 53 LYS HA 2 57 TYR H . . 4.500 3.766 3.586 4.043 . 0 0 "[ . 1 . 2]" 1
999 2 53 LYS H 2 53 LYS QB . . 2.800 2.477 2.366 2.550 . 0 0 "[ . 1 . 2]" 1
1000 2 53 LYS QB 2 54 VAL H . . 3.500 2.821 2.649 2.922 . 0 0 "[ . 1 . 2]" 1
1001 2 60 LYS QE 2 60 LYS QG . . 2.800 2.387 2.132 2.875 0.075 16 0 "[ . 1 . 2]" 1
1002 2 53 LYS H 2 53 LYS QG . . 2.800 2.165 2.076 2.287 . 0 0 "[ . 1 . 2]" 1
1003 2 50 GLN QE 2 53 LYS QD . . 5.500 4.807 3.376 5.505 0.005 16 0 "[ . 1 . 2]" 1
1004 2 53 LYS H 2 53 LYS QD . . 3.500 3.550 3.420 3.628 0.128 7 0 "[ . 1 . 2]" 1
1005 2 53 LYS QD 2 54 VAL H . . 5.500 4.952 4.817 5.006 . 0 0 "[ . 1 . 2]" 1
1006 2 54 VAL HA 2 54 VAL QG . . 2.800 2.315 2.217 2.557 . 0 0 "[ . 1 . 2]" 1
1007 2 54 VAL HA 2 55 ILE H . . 4.500 3.525 3.504 3.548 . 0 0 "[ . 1 . 2]" 1
1008 2 54 VAL HA 2 56 GLU H . . 5.500 4.674 4.502 4.778 . 0 0 "[ . 1 . 2]" 1
1009 2 54 VAL HA 2 57 TYR H . . 4.500 3.336 3.018 3.570 . 0 0 "[ . 1 . 2]" 1
1010 2 54 VAL HA 2 58 CYS H . . 5.500 4.135 3.922 4.361 . 0 0 "[ . 1 . 2]" 1
1011 2 54 VAL H 2 54 VAL HB . . 3.500 3.632 3.583 3.673 0.173 16 0 "[ . 1 . 2]" 1
1012 2 52 PRO HA 2 54 VAL QG . . 5.500 4.178 4.051 4.372 . 0 0 "[ . 1 . 2]" 1
1013 2 54 VAL QG 2 72 GLN QE . . 3.500 2.472 2.049 3.507 0.007 11 0 "[ . 1 . 2]" 1
1014 2 54 VAL QG 2 56 GLU H . . 5.500 4.514 4.427 4.581 . 0 0 "[ . 1 . 2]" 1
1015 2 54 VAL H 2 54 VAL QG . . 2.800 1.925 1.864 2.022 . 0 0 "[ . 1 . 2]" 1
1016 2 54 VAL QG 2 55 ILE HA . . 4.500 3.708 3.450 3.867 . 0 0 "[ . 1 . 2]" 1
1017 2 55 ILE HA 2 55 ILE QG . . 2.800 2.567 2.442 2.726 . 0 0 "[ . 1 . 2]" 1
1018 2 55 ILE HA 2 56 GLU H . . 3.500 3.567 3.559 3.578 0.078 4 0 "[ . 1 . 2]" 1
1019 2 54 VAL H 2 55 ILE HA . . 5.500 5.364 5.304 5.406 . 0 0 "[ . 1 . 2]" 1
1020 2 55 ILE HA 2 58 CYS H . . 3.500 3.465 3.387 3.518 0.018 4 0 "[ . 1 . 2]" 1
1021 2 54 VAL QG 2 55 ILE HB . . 5.500 4.247 4.159 4.488 . 0 0 "[ . 1 . 2]" 1
1022 2 55 ILE HB 2 56 GLU HA . . 5.500 4.484 4.172 4.708 . 0 0 "[ . 1 . 2]" 1
1023 2 52 PRO HA 2 55 ILE HB . . 3.500 3.007 2.422 3.376 . 0 0 "[ . 1 . 2]" 1
1024 2 55 ILE H 2 55 ILE HB . . 3.500 2.558 2.462 2.708 . 0 0 "[ . 1 . 2]" 1
1025 2 55 ILE HB 2 56 GLU H . . 2.800 2.526 2.433 2.655 . 0 0 "[ . 1 . 2]" 1
1026 2 54 VAL H 2 55 ILE HB . . 5.500 5.008 4.875 5.232 . 0 0 "[ . 1 . 2]" 1
1027 2 54 VAL QG 2 55 ILE QG . . 3.500 2.452 2.376 2.585 . 0 0 "[ . 1 . 2]" 1
1028 2 55 ILE QG 2 56 GLU H . . 5.500 4.077 3.809 4.266 . 0 0 "[ . 1 . 2]" 1
1029 2 54 VAL H 2 55 ILE QG . . 5.500 4.256 4.008 4.524 . 0 0 "[ . 1 . 2]" 1
1030 2 55 ILE H 2 55 ILE QG . . 3.500 2.288 2.104 2.470 . 0 0 "[ . 1 . 2]" 1
1031 2 59 LYS HA 2 59 LYS QB . . 2.800 2.130 2.095 2.578 . 0 0 "[ . 1 . 2]" 1
1032 2 56 GLU HA 2 56 GLU QG . . 2.800 2.330 2.243 2.804 0.004 16 0 "[ . 1 . 2]" 1
1033 2 56 GLU QG 2 60 LYS QE . . 5.500 4.562 3.735 5.515 0.015 12 0 "[ . 1 . 2]" 1
1034 2 57 TYR HA 2 60 LYS QE . . 2.800 2.769 1.966 2.885 0.085 15 0 "[ . 1 . 2]" 1
1035 2 57 TYR HA 2 57 TYR QB . . 2.800 2.392 2.367 2.428 . 0 0 "[ . 1 . 2]" 1
1036 2 57 TYR HA 2 60 LYS H . . 4.500 3.747 3.463 4.029 . 0 0 "[ . 1 . 2]" 1
1037 2 56 GLU H 2 57 TYR HA . . 5.500 5.490 5.444 5.518 0.018 10 0 "[ . 1 . 2]" 1
1038 2 57 TYR H 2 57 TYR HA . . 2.800 2.819 2.795 2.845 0.045 15 0 "[ . 1 . 2]" 1
1039 2 57 TYR HA 2 58 CYS H . . 3.500 3.541 3.522 3.575 0.075 4 0 "[ . 1 . 2]" 1
1040 2 57 TYR H 2 57 TYR QB . . 3.500 2.151 2.121 2.183 . 0 0 "[ . 1 . 2]" 1
1041 2 57 TYR QB 2 58 CYS H . . 4.500 2.980 2.778 3.086 . 0 0 "[ . 1 . 2]" 1
1042 2 14 ILE QG 2 58 CYS QB . . 5.500 4.136 3.819 4.415 . 0 0 "[ . 1 . 2]" 1
1043 2 14 ILE H 2 58 CYS QB . . 4.500 3.727 3.428 3.918 . 0 0 "[ . 1 . 2]" 1
1044 2 58 CYS QB 2 59 LYS H . . 3.500 2.690 2.642 2.759 . 0 0 "[ . 1 . 2]" 1
1045 2 58 CYS H 2 58 CYS QB . . 2.800 2.224 2.145 2.290 . 0 0 "[ . 1 . 2]" 1
1046 2 59 LYS QB 2 60 LYS H . . 3.500 3.514 2.328 3.599 0.099 5 0 "[ . 1 . 2]" 1
1047 2 29 LEU HA 2 70 LYS QD . . 3.500 2.684 2.239 3.505 0.005 12 0 "[ . 1 . 2]" 1
1048 2 70 LYS HA 2 70 LYS QD . . 3.500 2.441 2.100 3.573 0.073 6 0 "[ . 1 . 2]" 1
1049 2 59 LYS QB 2 59 LYS QD . . 2.800 2.360 1.983 2.407 . 0 0 "[ . 1 . 2]" 1
1050 2 59 LYS H 2 59 LYS QD . . 3.500 2.767 2.412 3.512 0.012 4 0 "[ . 1 . 2]" 1
1051 2 60 LYS HA 2 60 LYS QB . . 2.800 2.265 2.114 2.459 . 0 0 "[ . 1 . 2]" 1
1052 2 60 LYS HA 2 60 LYS QE . . 5.500 4.625 4.280 5.504 0.004 4 0 "[ . 1 . 2]" 1
1053 2 60 LYS QB 2 60 LYS QD . . 2.800 2.273 2.091 2.465 . 0 0 "[ . 1 . 2]" 1
1054 2 60 LYS H 2 60 LYS QB . . 2.800 2.501 2.310 2.685 . 0 0 "[ . 1 . 2]" 1
1055 2 57 TYR HA 2 60 LYS QG . . 4.500 2.877 2.056 4.066 . 0 0 "[ . 1 . 2]" 1
1056 2 60 LYS QG 2 61 ASN QD . . 4.500 3.063 1.879 4.502 0.002 16 0 "[ . 1 . 2]" 1
1057 2 60 LYS H 2 60 LYS QG . . 2.800 2.397 2.240 2.536 . 0 0 "[ . 1 . 2]" 1
1058 2 60 LYS H 2 60 LYS QD . . 4.500 4.031 3.249 4.397 . 0 0 "[ . 1 . 2]" 1
1059 2 60 LYS H 2 60 LYS QE . . 4.500 3.906 3.384 4.563 0.063 12 0 "[ . 1 . 2]" 1
1060 2 10 CYS H 2 62 PRO HA . . 4.500 4.458 4.266 4.512 0.012 5 0 "[ . 1 . 2]" 1
1061 2 61 ASN H 2 62 PRO HA . . 5.500 4.210 4.039 4.379 . 0 0 "[ . 1 . 2]" 1
1062 2 11 GLN HA 2 62 PRO HA . . 4.500 3.810 3.622 3.982 . 0 0 "[ . 1 . 2]" 1
1063 2 62 PRO QB 2 62 PRO QD . . 2.800 2.654 2.620 2.689 . 0 0 "[ . 1 . 2]" 1
1064 2 11 GLN HA 2 62 PRO QB . . 3.500 2.967 2.514 3.307 . 0 0 "[ . 1 . 2]" 1
1065 2 17 ASN HA 2 18 PRO QG . . 4.500 3.852 3.699 3.987 . 0 0 "[ . 1 . 2]" 1
1066 2 18 PRO QG 2 19 LYS H . . 5.500 4.193 2.948 4.472 . 0 0 "[ . 1 . 2]" 1
1067 2 62 PRO HA 2 62 PRO QD . . 3.500 3.247 3.141 3.323 . 0 0 "[ . 1 . 2]" 1
1068 2 61 ASN H 2 62 PRO QD . . 3.500 2.924 2.796 3.233 . 0 0 "[ . 1 . 2]" 1
1069 2 62 PRO QD 2 63 GLN H . . 3.500 3.199 3.103 3.350 . 0 0 "[ . 1 . 2]" 1
1070 2 3 GLU HA 2 3 GLU QG . . 3.500 2.724 2.414 3.584 0.084 16 0 "[ . 1 . 2]" 1
1071 2 64 LYS H 2 64 LYS HA . . 2.800 2.863 2.821 2.893 0.093 3 0 "[ . 1 . 2]" 1
1072 2 52 PRO QG 2 53 LYS H . . 3.500 2.514 2.449 2.673 . 0 0 "[ . 1 . 2]" 1
1073 2 64 LYS HA 2 65 ASN QB . . 4.500 4.192 4.107 4.262 . 0 0 "[ . 1 . 2]" 1
1074 2 64 LYS QB 2 65 ASN H . . 3.500 2.521 2.376 2.673 . 0 0 "[ . 1 . 2]" 1
1075 2 36 LYS H 2 36 LYS QG . . 3.500 2.532 2.024 3.505 0.005 12 0 "[ . 1 . 2]" 1
1076 2 36 LYS QG 2 37 GLY H . . 4.500 3.925 2.812 4.599 0.099 4 0 "[ . 1 . 2]" 1
1077 2 36 LYS HA 2 36 LYS QG . . 3.500 3.265 2.342 3.524 0.024 13 0 "[ . 1 . 2]" 1
1078 2 64 LYS HA 2 64 LYS QG . . 3.500 2.849 2.830 2.869 . 0 0 "[ . 1 . 2]" 1
1079 2 65 ASN QB 2 68 THR H . . 5.500 3.354 2.927 3.686 . 0 0 "[ . 1 . 2]" 1
1080 2 65 ASN QB 2 67 TYR H . . 4.500 4.005 3.680 4.425 . 0 0 "[ . 1 . 2]" 1
1081 2 66 LEU HA 2 66 LEU HG . . 3.500 3.315 3.272 3.351 . 0 0 "[ . 1 . 2]" 1
1082 2 66 LEU HA 2 66 LEU QB . . 2.800 2.332 2.317 2.350 . 0 0 "[ . 1 . 2]" 1
1083 2 66 LEU HA 2 69 PHE H . . 5.500 4.133 4.020 4.309 . 0 0 "[ . 1 . 2]" 1
1084 2 66 LEU HA 2 67 TYR H . . 5.500 3.618 3.592 3.653 . 0 0 "[ . 1 . 2]" 1
1085 2 10 CYS H 2 66 LEU HA . . 5.500 5.179 4.789 5.519 0.019 16 0 "[ . 1 . 2]" 1
1086 2 66 LEU QB 2 66 LEU HG . . 2.800 2.359 2.342 2.376 . 0 0 "[ . 1 . 2]" 1
1087 2 9 THR HA 2 66 LEU QB . . 4.500 4.186 3.960 4.506 0.006 16 0 "[ . 1 . 2]" 1
1088 2 66 LEU H 2 66 LEU QB . . 3.500 2.135 2.096 2.228 . 0 0 "[ . 1 . 2]" 1
1089 2 66 LEU QB 2 67 TYR H . . 4.500 2.682 2.406 2.825 . 0 0 "[ . 1 . 2]" 1
1090 2 28 MET QG 2 67 TYR HA . . 2.800 2.015 1.891 2.165 . 0 0 "[ . 1 . 2]" 1
1091 2 67 TYR HA 2 67 TYR QB . . 2.800 2.468 2.439 2.501 . 0 0 "[ . 1 . 2]" 1
1092 2 67 TYR HA 2 69 PHE H . . 3.500 3.505 3.449 3.589 0.089 16 0 "[ . 1 . 2]" 1
1093 2 67 TYR HA 2 68 THR H . . 3.500 3.419 3.326 3.511 0.011 16 0 "[ . 1 . 2]" 1
1094 2 67 TYR QB 2 68 THR H . . 5.500 3.366 3.070 3.625 . 0 0 "[ . 1 . 2]" 1
1095 2 67 TYR H 2 67 TYR QB . . 3.500 2.246 2.161 2.316 . 0 0 "[ . 1 . 2]" 1
1096 2 68 THR HA 2 68 THR HB . . 2.800 2.480 2.449 2.532 . 0 0 "[ . 1 . 2]" 1
1097 2 68 THR HA 2 71 ASN H . . 3.500 3.469 3.181 3.571 0.071 17 0 "[ . 1 . 2]" 1
1098 2 68 THR H 2 68 THR HA . . 2.800 2.891 2.852 2.915 0.115 8 0 "[ . 1 . 2]" 1
1099 2 67 TYR H 2 68 THR HA . . 5.500 5.384 5.280 5.555 0.055 10 0 "[ . 1 . 2]" 1
1100 2 65 ASN H 2 68 THR HB . . 4.500 4.664 4.640 4.733 0.233 1 0 "[ . 1 . 2]" 1
1101 2 70 LYS HA 2 73 ALA H . . 5.500 3.521 3.373 3.745 . 0 0 "[ . 1 . 2]" 1
1102 2 70 LYS HA 2 72 GLN H . . 4.500 4.463 4.295 4.515 0.015 7 0 "[ . 1 . 2]" 1
1103 2 70 LYS HA 2 71 ASN H . . 3.500 3.524 3.504 3.551 0.051 1 0 "[ . 1 . 2]" 1
1104 2 70 LYS HA 2 71 ASN HA . . 5.500 4.807 4.728 4.873 . 0 0 "[ . 1 . 2]" 1
1105 2 70 LYS HA 2 70 LYS QG . . 3.500 3.126 2.332 3.247 . 0 0 "[ . 1 . 2]" 1
1106 2 70 LYS HA 2 72 GLN QG . . 5.500 3.864 3.759 3.951 . 0 0 "[ . 1 . 2]" 1
1107 2 70 LYS HA 2 70 LYS QB . . 2.800 2.362 2.331 2.402 . 0 0 "[ . 1 . 2]" 1
1108 2 70 LYS QB 2 71 ASN QB . . 4.500 4.359 3.694 4.572 0.072 13 0 "[ . 1 . 2]" 1
1109 2 70 LYS QB 2 71 ASN HA . . 5.500 4.115 4.037 4.173 . 0 0 "[ . 1 . 2]" 1
1110 2 70 LYS H 2 70 LYS QB . . 2.800 2.191 2.131 2.268 . 0 0 "[ . 1 . 2]" 1
1111 2 70 LYS QB 2 71 ASN H . . 3.500 2.812 2.678 2.858 . 0 0 "[ . 1 . 2]" 1
1112 2 70 LYS QE 2 70 LYS QG . . 3.500 2.262 1.961 2.927 . 0 0 "[ . 1 . 2]" 1
1113 2 70 LYS HA 2 70 LYS QE . . 4.500 3.486 2.025 4.411 . 0 0 "[ . 1 . 2]" 1
1114 2 4 SER QB 2 6 LYS QE . . 4.500 4.487 3.980 4.608 0.108 17 0 "[ . 1 . 2]" 1
1115 2 2 ASN QD 2 6 LYS QE . . 5.500 4.985 2.997 5.569 0.069 12 0 "[ . 1 . 2]" 1
1116 2 71 ASN H 2 71 ASN HA . . 2.800 2.837 2.817 2.854 0.054 9 0 "[ . 1 . 2]" 1
1117 2 71 ASN HA 2 71 ASN QB . . 2.800 2.344 2.133 2.454 . 0 0 "[ . 1 . 2]" 1
1118 2 68 THR HA 2 71 ASN QB . . 3.500 3.502 3.330 3.560 0.060 12 0 "[ . 1 . 2]" 1
1119 2 71 ASN H 2 71 ASN QB . . 2.800 2.270 2.066 2.384 . 0 0 "[ . 1 . 2]" 1
1120 2 72 GLN HA 2 73 ALA MB . . 5.500 4.855 4.610 4.965 . 0 0 "[ . 1 . 2]" 1
1121 2 72 GLN H 2 72 GLN QB . . 3.500 2.632 2.584 2.677 . 0 0 "[ . 1 . 2]" 1
1122 2 72 GLN H 2 72 GLN QG . . 2.800 1.859 1.791 1.941 . 0 0 "[ . 1 . 2]" 1
1123 2 72 GLN QE 2 73 ALA HA . . 5.500 5.497 5.213 5.540 0.040 14 0 "[ . 1 . 2]" 1
1124 2 73 ALA HA 2 74 SER H . . 3.500 2.587 2.089 3.549 0.049 17 0 "[ . 1 . 2]" 1
1125 2 73 ALA H 2 73 ALA MB . . 2.800 2.298 2.211 2.497 . 0 0 "[ . 1 . 2]" 1
1126 2 73 ALA MB 2 75 ASN H . . 4.500 3.358 2.826 4.514 0.014 6 0 "[ . 1 . 2]" 1
1127 2 72 GLN H 2 73 ALA MB . . 5.500 4.263 4.158 4.329 . 0 0 "[ . 1 . 2]" 1
1128 2 70 LYS HA 2 73 ALA MB . . 4.500 2.846 2.549 3.224 . 0 0 "[ . 1 . 2]" 1
1129 2 74 SER H 2 74 SER QB . . 3.500 2.786 2.407 3.416 . 0 0 "[ . 1 . 2]" 1
1130 2 41 VAL HA 2 42 THR H . . 3.500 3.181 1.978 3.505 0.005 16 0 "[ . 1 . 2]" 1
1131 2 75 ASN H 2 75 ASN QB . . 3.500 2.357 2.147 3.064 . 0 0 "[ . 1 . 2]" 1
1132 2 44 ASN QD 2 76 ASP HA . . 5.500 5.294 4.419 5.581 0.081 12 0 "[ . 1 . 2]" 1
1133 2 76 ASP HA 2 77 LEU H . . 3.500 2.996 2.124 3.572 0.072 6 0 "[ . 1 . 2]" 1
1134 2 76 ASP H 2 76 ASP HA . . 2.800 2.690 2.193 2.917 0.117 7 0 "[ . 1 . 2]" 1
1135 2 76 ASP H 2 76 ASP QB . . 3.500 2.527 2.086 3.224 . 0 0 "[ . 1 . 2]" 1
1136 2 77 LEU H 2 77 LEU HG . . 4.500 2.831 1.958 4.227 . 0 0 "[ . 1 . 2]" 1
1137 2 78 PRO HA 2 79 ASN H . . 2.800 2.269 2.136 2.350 . 0 0 "[ . 1 . 2]" 1
1138 2 78 PRO QB 2 78 PRO QD . . 3.500 2.676 2.610 2.723 . 0 0 "[ . 1 . 2]" 1
1139 2 77 LEU H 2 78 PRO QD . . 5.500 4.369 3.848 4.536 . 0 0 "[ . 1 . 2]" 1
1140 2 5 ALA HA 2 24 VAL QG . . 5.500 3.654 3.191 3.961 . 0 0 "[ . 1 . 2]" 1
1141 2 5 ALA MB 2 24 VAL QG . . 2.800 2.411 2.073 2.819 0.019 16 0 "[ . 1 . 2]" 1
1142 2 16 LEU HA 2 16 LEU QB . . 2.800 2.142 2.111 2.181 . 0 0 "[ . 1 . 2]" 1
1143 2 16 LEU HA 2 16 LEU HG . . 4.500 3.735 3.685 4.205 . 0 0 "[ . 1 . 2]" 1
1144 2 16 LEU HA 2 17 ASN QB . . 5.500 4.190 4.062 4.354 . 0 0 "[ . 1 . 2]" 1
1145 2 16 LEU HA 2 17 ASN H . . 2.800 2.398 2.291 2.477 . 0 0 "[ . 1 . 2]" 1
1146 2 16 LEU QB 2 17 ASN QB . . 5.500 4.439 4.231 4.654 . 0 0 "[ . 1 . 2]" 1
1147 2 16 LEU QB 2 21 MET HA . . 5.500 5.101 4.865 5.343 . 0 0 "[ . 1 . 2]" 1
1148 2 13 PHE HA 2 16 LEU QB . . 4.500 2.878 2.651 3.983 . 0 0 "[ . 1 . 2]" 1
1149 2 16 LEU QB 2 17 ASN H . . 2.800 2.809 2.573 2.847 0.047 6 0 "[ . 1 . 2]" 1
1150 2 71 ASN HA 2 72 GLN H . . 3.500 3.506 3.486 3.522 0.022 13 0 "[ . 1 . 2]" 1
1151 2 3 GLU HA 2 4 SER QB . . 5.500 4.016 3.622 4.671 . 0 0 "[ . 1 . 2]" 1
1152 2 35 TYR HA 2 36 LYS H . . 3.500 2.414 2.101 3.131 . 0 0 "[ . 1 . 2]" 1
1153 2 17 ASN HA 2 17 ASN QD . . 4.500 3.801 3.184 4.130 . 0 0 "[ . 1 . 2]" 1
1154 2 17 ASN HA 2 19 LYS H . . 5.500 4.091 4.017 4.374 . 0 0 "[ . 1 . 2]" 1
1155 2 16 LEU QB 2 17 ASN HA . . 5.500 5.071 4.934 5.110 . 0 0 "[ . 1 . 2]" 1
1156 2 45 GLU QB 2 46 THR H . . 3.500 2.973 2.676 3.151 . 0 0 "[ . 1 . 2]" 1
1157 2 46 THR HA 2 49 THR H . . 4.500 3.485 3.254 3.745 . 0 0 "[ . 1 . 2]" 1
1158 2 46 THR HA 2 47 ASP H . . 4.500 3.620 3.596 3.640 . 0 0 "[ . 1 . 2]" 1
1159 2 52 PRO QB 2 56 GLU H . . 5.500 4.643 4.521 4.911 . 0 0 "[ . 1 . 2]" 1
1160 2 50 GLN H 2 52 PRO QD . . 4.500 3.753 3.603 3.939 . 0 0 "[ . 1 . 2]" 1
1161 2 54 VAL HA 2 69 PHE QB . . 4.500 3.806 3.531 4.244 . 0 0 "[ . 1 . 2]" 1
1162 2 53 LYS QG 2 54 VAL QG . . 4.500 4.529 4.438 4.565 0.065 2 0 "[ . 1 . 2]" 1
1163 2 57 TYR HA 2 60 LYS QD . . 2.800 2.811 2.690 2.902 0.102 12 0 "[ . 1 . 2]" 1
1164 2 58 CYS HA 2 61 ASN H . . 3.500 3.282 3.035 3.525 0.025 4 0 "[ . 1 . 2]" 1
1165 2 10 CYS QB 2 58 CYS HA . . 4.500 2.648 2.269 2.829 . 0 0 "[ . 1 . 2]" 1
1166 2 59 LYS HA 2 62 PRO QD . . 4.500 3.609 3.436 4.339 . 0 0 "[ . 1 . 2]" 1
1167 2 56 GLU HA 2 59 LYS QD . . 2.800 2.436 2.141 2.827 0.027 4 0 "[ . 1 . 2]" 1
1168 2 59 LYS QD 2 60 LYS H . . 4.500 4.372 4.202 4.564 0.064 4 0 "[ . 1 . 2]" 1
1169 2 58 CYS H 2 59 LYS QD . . 5.500 4.523 4.092 5.449 . 0 0 "[ . 1 . 2]" 1
1170 2 57 TYR H 2 60 LYS QE . . 4.500 4.026 3.666 4.568 0.068 6 0 "[ . 1 . 2]" 1
1171 2 56 GLU HA 2 60 LYS QE . . 5.500 4.138 3.438 5.437 . 0 0 "[ . 1 . 2]" 1
1172 2 61 ASN QB 2 61 ASN QD . . 2.800 2.253 2.204 2.598 . 0 0 "[ . 1 . 2]" 1
1173 2 61 ASN H 2 61 ASN QB . . 2.800 2.706 2.513 2.807 0.007 3 0 "[ . 1 . 2]" 1
1174 2 61 ASN QB 2 64 LYS H . . 4.500 3.478 3.378 3.584 . 0 0 "[ . 1 . 2]" 1
1175 2 61 ASN QB 2 63 GLN H . . 5.500 3.795 3.489 4.053 . 0 0 "[ . 1 . 2]" 1
1176 2 41 VAL QG 2 42 THR HA . . 4.500 3.805 3.533 4.181 . 0 0 "[ . 1 . 2]" 1
1177 2 41 VAL HA 2 42 THR HA . . 5.500 4.851 4.160 5.054 . 0 0 "[ . 1 . 2]" 1
1178 2 42 THR HA 2 42 THR HB . . 2.800 2.745 2.337 2.936 0.136 9 0 "[ . 1 . 2]" 1
1179 2 42 THR HA 2 43 LEU H . . 3.500 2.524 2.220 3.490 . 0 0 "[ . 1 . 2]" 1
1180 2 42 THR HB 2 43 LEU H . . 3.500 3.125 2.505 3.576 0.076 8 0 "[ . 1 . 2]" 1
1181 2 32 GLU QG 2 33 THR H . . 4.500 3.890 2.781 4.565 0.065 12 0 "[ . 1 . 2]" 1
1182 2 32 GLU H 2 32 GLU QG . . 4.500 3.064 1.909 4.183 . 0 0 "[ . 1 . 2]" 1
1183 2 13 PHE QB 2 16 LEU HG . . 5.500 5.490 4.971 5.574 0.074 9 0 "[ . 1 . 2]" 1
1184 2 16 LEU H 2 16 LEU HG . . 3.500 3.171 2.547 3.585 0.085 14 0 "[ . 1 . 2]" 1
1185 2 15 ASP H 2 16 LEU HG . . 5.500 5.144 4.142 5.482 . 0 0 "[ . 1 . 2]" 1
1186 2 13 PHE HZ 2 54 VAL QG . . 4.500 2.970 2.257 3.637 . 0 0 "[ . 1 . 2]" 1
1187 2 54 VAL QG 2 55 ILE H . . 3.500 2.528 2.449 2.645 . 0 0 "[ . 1 . 2]" 1
1188 2 30 HIS HD2 2 41 VAL QG . . 5.500 5.118 4.072 5.599 0.099 7 0 "[ . 1 . 2]" 1
1189 2 41 VAL QG 2 42 THR H . . 3.500 2.993 2.535 3.636 0.136 14 0 "[ . 1 . 2]" 1
1190 2 33 THR HA 2 33 THR HB . . 2.800 2.496 2.329 2.812 0.012 15 0 "[ . 1 . 2]" 1
1191 2 33 THR HB 2 34 VAL H . . 5.500 3.816 2.339 4.616 . 0 0 "[ . 1 . 2]" 1
1192 2 40 THR HB 2 41 VAL H . . 4.500 4.223 2.626 4.482 . 0 0 "[ . 1 . 2]" 1
1193 2 69 PHE HA 2 70 LYS HA . . 5.500 4.726 4.682 4.774 . 0 0 "[ . 1 . 2]" 1
1194 2 69 PHE HA 2 71 ASN H . . 4.500 3.802 3.667 3.937 . 0 0 "[ . 1 . 2]" 1
1195 2 69 PHE H 2 69 PHE HA . . 2.800 2.827 2.812 2.847 0.047 11 0 "[ . 1 . 2]" 1
1196 2 8 MET QB 2 66 LEU QB . . 5.500 2.541 2.398 2.809 . 0 0 "[ . 1 . 2]" 1
1197 2 43 LEU H 2 43 LEU QB . . 3.500 2.462 2.187 3.503 0.003 11 0 "[ . 1 . 2]" 1
1198 2 48 LEU QB 2 49 THR H . . 4.500 2.848 2.649 3.709 . 0 0 "[ . 1 . 2]" 1
1199 2 48 LEU H 2 48 LEU QB . . 3.500 2.480 2.388 2.581 . 0 0 "[ . 1 . 2]" 1
1200 2 44 ASN QB 2 45 GLU QB . . 5.500 4.272 3.905 4.485 . 0 0 "[ . 1 . 2]" 1
1201 2 44 ASN HA 2 44 ASN QB . . 2.800 2.281 2.176 2.377 . 0 0 "[ . 1 . 2]" 1
1202 2 44 ASN QB 2 46 THR H . . 5.500 2.976 2.505 3.424 . 0 0 "[ . 1 . 2]" 1
1203 2 44 ASN QB 2 45 GLU H . . 3.500 2.501 2.219 2.686 . 0 0 "[ . 1 . 2]" 1
1204 2 24 VAL HA 2 25 ALA H . . 3.500 3.545 3.518 3.577 0.077 18 0 "[ . 1 . 2]" 1
1205 2 5 ALA HA 2 8 MET H . . 4.500 3.516 3.274 3.667 . 0 0 "[ . 1 . 2]" 1
1206 2 19 LYS HA 2 20 ALA HA . . 5.500 4.521 4.197 4.638 . 0 0 "[ . 1 . 2]" 1
1207 2 15 ASP QB 2 16 LEU H . . 4.500 3.276 2.940 3.381 . 0 0 "[ . 1 . 2]" 1
1208 2 15 ASP H 2 15 ASP QB . . 2.800 2.366 2.295 2.420 . 0 0 "[ . 1 . 2]" 1
1209 2 12 GLU HA 2 15 ASP QB . . 4.500 2.523 2.332 2.625 . 0 0 "[ . 1 . 2]" 1
1210 2 8 MET H 2 66 LEU HG . . 5.500 5.568 5.531 5.599 0.099 18 0 "[ . 1 . 2]" 1
1211 2 66 LEU H 2 66 LEU HG . . 4.500 4.425 4.349 4.487 . 0 0 "[ . 1 . 2]" 1
1212 2 66 LEU HG 2 67 TYR H . . 5.500 3.651 3.227 3.849 . 0 0 "[ . 1 . 2]" 1
1213 2 47 ASP QB 2 48 LEU HG . . 5.500 3.577 3.222 4.472 . 0 0 "[ . 1 . 2]" 1
1214 2 48 LEU H 2 48 LEU HG . . 2.800 2.245 2.144 2.389 . 0 0 "[ . 1 . 2]" 1
1215 2 48 LEU HG 2 49 THR H . . 5.500 4.354 2.638 4.671 . 0 0 "[ . 1 . 2]" 1
1216 2 30 HIS HA 2 70 LYS QD . . 3.500 3.586 3.311 3.702 0.202 7 0 "[ . 1 . 2]" 1
1217 2 1 ALA HA 2 2 ASN H . . 3.500 2.409 2.135 2.605 . 0 0 "[ . 1 . 2]" 1
1218 2 77 LEU HA 2 78 PRO QD . . 3.500 2.103 1.999 2.245 . 0 0 "[ . 1 . 2]" 1
1219 2 52 PRO QD 2 53 LYS QG . . 4.500 3.895 3.721 4.190 . 0 0 "[ . 1 . 2]" 1
1220 2 36 LYS QE 2 77 LEU QB . . 3.500 3.367 2.073 3.562 0.062 16 0 "[ . 1 . 2]" 1
1221 2 20 ALA MB 2 24 VAL HB . . 5.500 4.833 4.477 5.344 . 0 0 "[ . 1 . 2]" 1
1222 2 34 VAL MG1 2 36 LYS QE . . 4.500 4.013 2.181 4.694 0.194 1 0 "[ . 1 . 2]" 1
1223 2 34 VAL H 2 34 VAL MG1 . . 4.500 3.154 2.308 4.035 . 0 0 "[ . 1 . 2]" 1
1224 2 34 VAL MG1 2 35 TYR H . . 2.800 3.102 2.486 3.733 0.933 11 7 "[ ** *1+ - ** 2]" 1
1225 2 12 GLU H 2 12 GLU HA . . 2.800 2.906 2.874 2.922 0.122 9 0 "[ . 1 . 2]" 1
1226 2 15 ASP HA 2 15 ASP QB . . 2.800 2.381 2.346 2.392 . 0 0 "[ . 1 . 2]" 1
1227 2 22 THR HA 2 22 THR HG1 . . 3.500 3.175 2.926 3.591 0.091 17 0 "[ . 1 . 2]" 1
1228 2 46 THR HA 2 49 THR HB . . 3.500 2.792 2.455 3.086 . 0 0 "[ . 1 . 2]" 1
1229 2 48 LEU H 2 49 THR HB . . 5.500 5.203 5.050 5.353 . 0 0 "[ . 1 . 2]" 1
1230 2 45 GLU QG 2 48 LEU QB . . 5.500 4.059 3.658 5.458 . 0 0 "[ . 1 . 2]" 1
1231 2 49 THR H 2 50 GLN QB . . 4.500 4.510 4.464 4.528 0.028 10 0 "[ . 1 . 2]" 1
1232 2 50 GLN QG 2 54 VAL QG . . 5.500 4.292 4.079 4.710 . 0 0 "[ . 1 . 2]" 1
1233 2 53 LYS HA 2 54 VAL QG . . 5.500 4.453 4.403 4.537 . 0 0 "[ . 1 . 2]" 1
1234 2 53 LYS QB 2 54 VAL QG . . 5.500 3.176 3.026 3.307 . 0 0 "[ . 1 . 2]" 1
1235 2 53 LYS QD 2 54 VAL QG . . 5.500 5.123 4.496 5.378 . 0 0 "[ . 1 . 2]" 1
1236 2 73 ALA MB 2 74 SER QB . . 5.500 4.892 4.517 5.134 . 0 0 "[ . 1 . 2]" 1
1237 2 2 ASN H 2 3 GLU H . . 5.500 2.924 2.482 3.760 . 0 0 "[ . 1 . 2]" 1
1238 2 2 ASN H 2 3 GLU QG . . 5.500 4.581 4.306 4.866 . 0 0 "[ . 1 . 2]" 1
1239 2 2 ASN H 2 3 GLU HA . . 5.500 5.344 4.163 5.765 0.265 5 0 "[ . 1 . 2]" 1
1240 2 3 GLU H 2 3 GLU QG . . 4.500 2.838 2.511 3.510 . 0 0 "[ . 1 . 2]" 1
1241 2 4 SER H 2 5 ALA MB . . 5.500 4.982 4.297 5.541 0.041 13 0 "[ . 1 . 2]" 1
1242 2 3 GLU H 2 4 SER H . . 4.500 3.616 2.620 4.585 0.085 12 0 "[ . 1 . 2]" 1
1243 2 4 SER H 2 5 ALA H . . 4.500 3.562 2.766 4.292 . 0 0 "[ . 1 . 2]" 1
1244 2 5 ALA H 2 6 LYS H . . 3.500 2.775 2.615 2.871 . 0 0 "[ . 1 . 2]" 1
1245 2 4 SER QB 2 6 LYS H . . 5.500 3.967 3.546 4.354 . 0 0 "[ . 1 . 2]" 1
1246 2 5 ALA HA 2 6 LYS H . . 4.500 3.578 3.493 3.626 . 0 0 "[ . 1 . 2]" 1
1247 2 6 LYS H 2 8 MET H . . 5.500 4.238 4.124 4.351 . 0 0 "[ . 1 . 2]" 1
1248 2 4 SER H 2 6 LYS H . . 5.500 5.408 5.157 5.619 0.119 1 0 "[ . 1 . 2]" 1
1249 2 26 TRP QB 2 28 MET H . . 5.500 4.817 4.658 4.939 . 0 0 "[ . 1 . 2]" 1
1250 2 6 LYS HA 2 7 ASP H . . 3.500 3.416 3.224 3.533 0.033 17 0 "[ . 1 . 2]" 1
1251 2 7 ASP H 2 8 MET H . . 2.800 2.345 2.101 2.646 . 0 0 "[ . 1 . 2]" 1
1252 2 5 ALA H 2 7 ASP H . . 5.500 4.266 4.094 4.373 . 0 0 "[ . 1 . 2]" 1
1253 2 6 LYS HA 2 8 MET H . . 5.500 4.088 3.727 4.320 . 0 0 "[ . 1 . 2]" 1
1254 2 8 MET H 2 9 THR H . . 5.500 4.622 4.580 4.673 . 0 0 "[ . 1 . 2]" 1
1255 2 9 THR H 2 13 PHE H . . 5.500 4.388 4.230 4.513 . 0 0 "[ . 1 . 2]" 1
1256 2 9 THR H 2 10 CYS H . . 5.500 4.699 4.592 4.752 . 0 0 "[ . 1 . 2]" 1
1257 2 10 CYS H 2 66 LEU QB . . 5.500 4.740 4.463 5.034 . 0 0 "[ . 1 . 2]" 1
1258 2 10 CYS H 2 11 GLN HA . . 5.500 5.434 5.258 5.502 0.002 8 0 "[ . 1 . 2]" 1
1259 2 10 CYS H 2 64 LYS H . . 5.500 4.048 3.709 4.324 . 0 0 "[ . 1 . 2]" 1
1260 2 10 CYS H 2 12 GLU H . . 5.500 4.190 4.008 4.293 . 0 0 "[ . 1 . 2]" 1
1261 2 10 CYS H 2 13 PHE H . . 5.500 4.669 4.569 4.740 . 0 0 "[ . 1 . 2]" 1
1262 2 10 CYS H 2 11 GLN H . . 3.500 2.831 2.617 2.923 . 0 0 "[ . 1 . 2]" 1
1263 2 11 GLN H 2 62 PRO HA . . 3.500 3.320 3.127 3.422 . 0 0 "[ . 1 . 2]" 1
1264 2 11 GLN H 2 12 GLU H . . 3.500 2.747 2.658 2.852 . 0 0 "[ . 1 . 2]" 1
1265 2 9 THR H 2 11 GLN H . . 5.500 5.497 5.322 5.559 0.059 16 0 "[ . 1 . 2]" 1
1266 2 12 GLU H 2 13 PHE HA . . 5.500 5.146 5.064 5.314 . 0 0 "[ . 1 . 2]" 1
1267 2 12 GLU H 2 13 PHE H . . 3.500 2.505 2.410 2.754 . 0 0 "[ . 1 . 2]" 1
1268 2 9 THR H 2 12 GLU H . . 5.500 3.977 3.692 4.129 . 0 0 "[ . 1 . 2]" 1
1269 2 13 PHE H 2 13 PHE QB . . 3.500 2.213 2.177 2.250 . 0 0 "[ . 1 . 2]" 1
1270 2 12 GLU HA 2 13 PHE H . . 5.500 3.587 3.566 3.612 . 0 0 "[ . 1 . 2]" 1
1271 2 10 CYS HA 2 13 PHE H . . 3.500 3.097 3.005 3.246 . 0 0 "[ . 1 . 2]" 1
1272 2 11 GLN H 2 13 PHE H . . 5.500 4.217 4.130 4.271 . 0 0 "[ . 1 . 2]" 1
1273 2 13 PHE QB 2 14 ILE H . . 3.500 2.518 2.450 2.683 . 0 0 "[ . 1 . 2]" 1
1274 2 13 PHE HA 2 14 ILE H . . 5.500 3.631 3.616 3.651 . 0 0 "[ . 1 . 2]" 1
1275 2 11 GLN QE 2 14 ILE H . . 5.500 4.516 4.319 4.957 . 0 0 "[ . 1 . 2]" 1
1276 2 14 ILE H 2 15 ASP H . . 2.800 2.789 2.761 2.817 0.017 15 0 "[ . 1 . 2]" 1
1277 2 12 GLU H 2 14 ILE H . . 5.500 4.316 4.208 4.532 . 0 0 "[ . 1 . 2]" 1
1278 2 11 GLN H 2 14 ILE H . . 5.500 5.001 4.901 5.162 . 0 0 "[ . 1 . 2]" 1
1279 2 14 ILE QG 2 15 ASP H . . 3.500 3.101 2.903 3.336 . 0 0 "[ . 1 . 2]" 1
1280 2 12 GLU HA 2 15 ASP H . . 3.500 3.522 3.264 3.584 0.084 5 0 "[ . 1 . 2]" 1
1281 2 13 PHE HA 2 15 ASP H . . 5.500 3.738 3.552 3.962 . 0 0 "[ . 1 . 2]" 1
1282 2 11 GLN QE 2 15 ASP H . . 5.500 4.279 3.758 4.749 . 0 0 "[ . 1 . 2]" 1
1283 2 15 ASP H 2 16 LEU H . . 3.500 2.256 2.157 2.328 . 0 0 "[ . 1 . 2]" 1
1284 2 18 PRO HA 2 19 LYS H . . 3.500 3.529 3.466 3.575 0.075 17 0 "[ . 1 . 2]" 1
1285 2 17 ASN QB 2 20 ALA H . . 5.500 3.254 2.880 4.036 . 0 0 "[ . 1 . 2]" 1
1286 2 19 LYS HA 2 20 ALA H . . 3.500 3.567 3.488 3.607 0.107 19 0 "[ . 1 . 2]" 1
1287 2 20 ALA H 2 21 MET H . . 2.800 2.556 2.113 2.683 . 0 0 "[ . 1 . 2]" 1
1288 2 20 ALA H 2 22 THR H . . 5.500 4.687 4.394 5.136 . 0 0 "[ . 1 . 2]" 1
1289 2 21 MET H 2 22 THR HG1 . . 5.500 4.600 4.411 5.070 . 0 0 "[ . 1 . 2]" 1
1290 2 21 MET H 2 21 MET QG . . 4.500 3.798 2.607 4.020 . 0 0 "[ . 1 . 2]" 1
1291 2 21 MET H 2 22 THR H . . 3.500 2.926 2.800 3.034 . 0 0 "[ . 1 . 2]" 1
1292 2 22 THR H 2 22 THR HG1 . . 3.500 2.201 2.030 2.893 . 0 0 "[ . 1 . 2]" 1
1293 2 22 THR H 2 24 VAL H . . 5.500 4.458 4.061 4.814 . 0 0 "[ . 1 . 2]" 1
1294 2 24 VAL H 2 25 ALA H . . 2.800 2.737 2.597 2.820 0.020 12 0 "[ . 1 . 2]" 1
1295 2 24 VAL H 2 26 TRP H . . 5.500 4.112 3.950 4.462 . 0 0 "[ . 1 . 2]" 1
1296 2 25 ALA H 2 26 TRP QB . . 5.500 4.648 4.568 4.739 . 0 0 "[ . 1 . 2]" 1
1297 2 25 ALA H 2 28 MET H . . 5.500 4.976 4.750 5.115 . 0 0 "[ . 1 . 2]" 1
1298 2 25 ALA H 2 27 TRP H . . 5.500 4.476 4.213 4.606 . 0 0 "[ . 1 . 2]" 1
1299 2 25 ALA H 2 26 TRP H . . 3.500 2.733 2.646 2.824 . 0 0 "[ . 1 . 2]" 1
1300 2 26 TRP H 2 28 MET QB . . 5.500 4.794 4.591 5.057 . 0 0 "[ . 1 . 2]" 1
1301 2 26 TRP H 2 26 TRP HD1 . . 5.500 5.272 5.078 5.448 . 0 0 "[ . 1 . 2]" 1
1302 2 26 TRP H 2 28 MET H . . 5.500 4.131 3.770 4.366 . 0 0 "[ . 1 . 2]" 1
1303 2 26 TRP H 2 27 TRP H . . 3.500 2.726 2.546 2.946 . 0 0 "[ . 1 . 2]" 1
1304 2 27 TRP H 2 28 MET H . . 3.500 2.856 2.748 3.048 . 0 0 "[ . 1 . 2]" 1
1305 2 30 HIS H 2 30 HIS QB . . 3.500 2.479 2.232 2.700 . 0 0 "[ . 1 . 2]" 1
1306 2 29 LEU HA 2 30 HIS H . . 5.500 3.526 3.476 3.624 . 0 0 "[ . 1 . 2]" 1
1307 2 30 HIS H 2 31 GLU H . . 4.500 2.919 2.013 3.788 . 0 0 "[ . 1 . 2]" 1
1308 2 71 ASN QB 2 72 GLN H . . 3.500 2.964 2.643 3.512 0.012 1 0 "[ . 1 . 2]" 1
1309 2 36 LYS H 2 37 GLY H . . 5.500 3.694 2.131 4.549 . 0 0 "[ . 1 . 2]" 1
1310 2 36 LYS HA 2 38 GLY H . . 5.500 4.264 3.391 5.510 0.010 9 0 "[ . 1 . 2]" 1
1311 2 59 LYS H 2 59 LYS QB . . 2.800 2.711 1.904 2.817 0.017 16 0 "[ . 1 . 2]" 1
1312 2 59 LYS H 2 60 LYS H . . 2.800 2.805 2.713 2.832 0.032 4 0 "[ . 1 . 2]" 1
1313 2 39 ASP H 2 40 THR H . . 4.500 2.635 2.064 4.610 0.110 9 0 "[ . 1 . 2]" 1
1314 2 43 LEU H 2 44 ASN H . . 5.500 4.186 2.817 4.585 . 0 0 "[ . 1 . 2]" 1
1315 2 45 GLU QG 2 46 THR H . . 5.500 4.301 4.228 4.565 . 0 0 "[ . 1 . 2]" 1
1316 2 46 THR H 2 47 ASP H . . 3.500 2.759 2.600 2.837 . 0 0 "[ . 1 . 2]" 1
1317 2 45 GLU H 2 46 THR H . . 4.500 2.814 2.728 2.894 . 0 0 "[ . 1 . 2]" 1
1318 2 47 ASP H 2 48 LEU HG . . 5.500 4.525 4.162 4.931 . 0 0 "[ . 1 . 2]" 1
1319 2 47 ASP H 2 49 THR H . . 5.500 4.030 3.806 4.299 . 0 0 "[ . 1 . 2]" 1
1320 2 45 GLU H 2 47 ASP H . . 5.500 4.391 4.187 4.657 . 0 0 "[ . 1 . 2]" 1
1321 2 44 ASN H 2 47 ASP H . . 5.500 3.633 3.085 4.679 . 0 0 "[ . 1 . 2]" 1
1322 2 48 LEU H 2 49 THR H . . 5.500 2.828 2.765 2.937 . 0 0 "[ . 1 . 2]" 1
1323 2 49 THR H 2 50 GLN H . . 3.500 2.523 2.454 2.590 . 0 0 "[ . 1 . 2]" 1
1324 2 53 LYS H 2 54 VAL QG . . 4.500 3.699 3.599 3.861 . 0 0 "[ . 1 . 2]" 1
1325 2 53 LYS H 2 54 VAL H . . 2.800 2.804 2.759 2.849 0.049 16 0 "[ . 1 . 2]" 1
1326 2 53 LYS H 2 56 GLU H . . 5.500 4.859 4.729 5.068 . 0 0 "[ . 1 . 2]" 1
1327 2 53 LYS H 2 55 ILE H . . 5.500 4.177 4.104 4.293 . 0 0 "[ . 1 . 2]" 1
1328 2 54 VAL H 2 56 GLU H . . 5.500 4.368 4.238 4.528 . 0 0 "[ . 1 . 2]" 1
1329 2 55 ILE H 2 56 GLU HA . . 5.500 5.252 5.138 5.348 . 0 0 "[ . 1 . 2]" 1
1330 2 55 ILE H 2 56 GLU H . . 3.500 2.606 2.491 2.711 . 0 0 "[ . 1 . 2]" 1
1331 2 56 GLU H 2 57 TYR H . . 3.500 2.970 2.909 3.012 . 0 0 "[ . 1 . 2]" 1
1332 2 56 GLU H 2 58 CYS H . . 5.500 4.275 4.186 4.465 . 0 0 "[ . 1 . 2]" 1
1333 2 55 ILE H 2 57 TYR H . . 5.500 4.051 3.965 4.179 . 0 0 "[ . 1 . 2]" 1
1334 2 58 CYS H 2 60 LYS H . . 5.500 4.123 3.807 4.349 . 0 0 "[ . 1 . 2]" 1
1335 2 60 LYS H 2 62 PRO QD . . 5.500 4.319 4.254 4.533 . 0 0 "[ . 1 . 2]" 1
1336 2 60 LYS QG 2 61 ASN H . . 4.500 3.557 2.662 4.493 . 0 0 "[ . 1 . 2]" 1
1337 2 60 LYS HA 2 61 ASN H . . 3.500 3.489 3.364 3.535 0.035 9 0 "[ . 1 . 2]" 1
1338 2 61 ASN H 2 61 ASN QD . . 3.500 3.146 2.809 3.520 0.020 1 0 "[ . 1 . 2]" 1
1339 2 61 ASN H 2 64 LYS H . . 5.500 5.555 5.495 5.585 0.085 4 0 "[ . 1 . 2]" 1
1340 2 58 CYS H 2 61 ASN H . . 5.500 4.715 4.518 4.978 . 0 0 "[ . 1 . 2]" 1
1341 2 63 GLN H 2 64 LYS QG . . 4.500 3.588 3.497 3.706 . 0 0 "[ . 1 . 2]" 1
1342 2 63 GLN H 2 64 LYS QB . . 4.500 4.557 4.533 4.589 0.089 19 0 "[ . 1 . 2]" 1
1343 2 62 PRO HA 2 63 GLN H . . 4.500 3.454 3.413 3.501 . 0 0 "[ . 1 . 2]" 1
1344 2 63 GLN H 2 63 GLN HA . . 2.800 2.903 2.880 2.920 0.120 8 0 "[ . 1 . 2]" 1
1345 2 10 CYS H 2 63 GLN H . . 5.500 5.481 5.282 5.550 0.050 18 0 "[ . 1 . 2]" 1
1346 2 63 GLN H 2 64 LYS H . . 2.800 2.506 2.421 2.574 . 0 0 "[ . 1 . 2]" 1
1347 2 64 LYS H 2 65 ASN H . . 5.500 4.711 4.675 4.754 . 0 0 "[ . 1 . 2]" 1
1348 2 65 ASN H 2 65 ASN QB . . 3.500 2.321 2.199 2.403 . 0 0 "[ . 1 . 2]" 1
1349 2 65 ASN H 2 68 THR H . . 5.500 4.468 4.133 5.113 . 0 0 "[ . 1 . 2]" 1
1350 2 66 LEU H 2 67 TYR QB . . 5.500 4.932 4.599 5.178 . 0 0 "[ . 1 . 2]" 1
1351 2 65 ASN QB 2 66 LEU H . . 5.500 3.710 3.490 3.841 . 0 0 "[ . 1 . 2]" 1
1352 2 65 ASN QD 2 66 LEU H . . 5.500 4.220 3.603 4.756 . 0 0 "[ . 1 . 2]" 1
1353 2 66 LEU H 2 67 TYR H . . 4.500 3.007 2.768 3.237 . 0 0 "[ . 1 . 2]" 1
1354 2 10 CYS H 2 66 LEU H . . 5.500 4.254 3.864 4.592 . 0 0 "[ . 1 . 2]" 1
1355 2 65 ASN QD 2 67 TYR H . . 5.500 3.147 2.705 3.659 . 0 0 "[ . 1 . 2]" 1
1356 2 67 TYR H 2 68 THR H . . 3.500 2.787 2.661 2.992 . 0 0 "[ . 1 . 2]" 1
1357 2 68 THR H 2 71 ASN QD . . 5.500 5.206 4.469 5.527 0.027 16 0 "[ . 1 . 2]" 1
1358 2 68 THR H 2 69 PHE H . . 2.800 2.722 2.589 2.838 0.038 14 0 "[ . 1 . 2]" 1
1359 2 69 PHE H 2 72 GLN QG . . 5.500 4.845 4.631 5.075 . 0 0 "[ . 1 . 2]" 1
1360 2 69 PHE H 2 70 LYS HA . . 5.500 5.466 5.418 5.510 0.010 15 0 "[ . 1 . 2]" 1
1361 2 68 THR HA 2 69 PHE H . . 4.500 3.532 3.496 3.558 . 0 0 "[ . 1 . 2]" 1
1362 2 68 THR HB 2 69 PHE H . . 5.500 4.109 3.795 4.443 . 0 0 "[ . 1 . 2]" 1
1363 2 69 PHE H 2 71 ASN H . . 5.500 4.456 4.390 4.519 . 0 0 "[ . 1 . 2]" 1
1364 2 67 TYR H 2 69 PHE H . . 5.500 4.443 4.244 4.573 . 0 0 "[ . 1 . 2]" 1
1365 2 54 VAL HA 2 72 GLN QE . . 5.500 3.477 3.271 3.552 . 0 0 "[ . 1 . 2]" 1
1366 2 67 TYR QB 2 70 LYS H . . 5.500 4.512 4.270 4.738 . 0 0 "[ . 1 . 2]" 1
1367 2 67 TYR HA 2 70 LYS H . . 5.500 3.552 3.338 3.796 . 0 0 "[ . 1 . 2]" 1
1368 2 68 THR HA 2 70 LYS H . . 4.500 3.535 3.262 3.713 . 0 0 "[ . 1 . 2]" 1
1369 2 70 LYS H 2 71 ASN H . . 2.800 2.474 2.403 2.613 . 0 0 "[ . 1 . 2]" 1
1370 2 69 PHE H 2 70 LYS H . . 3.500 2.889 2.834 2.930 . 0 0 "[ . 1 . 2]" 1
1371 2 70 LYS QG 2 71 ASN H . . 4.500 3.727 3.494 4.007 . 0 0 "[ . 1 . 2]" 1
1372 2 73 ALA MB 2 74 SER H . . 3.500 3.215 2.376 3.629 0.129 6 0 "[ . 1 . 2]" 1
1373 2 74 SER H 2 75 ASN H . . 4.500 3.377 2.463 4.392 . 0 0 "[ . 1 . 2]" 1
1374 2 74 SER QB 2 75 ASN H . . 4.500 3.771 2.764 4.103 . 0 0 "[ . 1 . 2]" 1
1375 2 73 ALA HA 2 75 ASN H . . 5.500 4.312 3.638 5.288 . 0 0 "[ . 1 . 2]" 1
1376 2 75 ASN H 2 75 ASN HA . . 2.800 2.795 2.200 2.896 0.096 2 0 "[ . 1 . 2]" 1
1377 2 76 ASP H 2 77 LEU HG . . 5.500 4.886 3.392 5.561 0.061 20 0 "[ . 1 . 2]" 1
1378 2 75 ASN HA 2 76 ASP H . . 3.500 2.731 2.109 3.556 0.056 6 0 "[ . 1 . 2]" 1
1379 2 76 ASP H 2 77 LEU H . . 5.500 3.506 1.931 4.643 . 0 0 "[ . 1 . 2]" 1
1380 2 76 ASP QB 2 77 LEU H . . 4.500 3.412 2.364 4.052 . 0 0 "[ . 1 . 2]" 1
1381 2 68 THR HA 2 71 ASN QD . . 5.500 2.907 2.199 3.658 . 0 0 "[ . 1 . 2]" 1
1382 2 11 GLN QE 2 14 ILE QG . . 5.500 2.342 2.279 2.479 . 0 0 "[ . 1 . 2]" 1
1383 2 63 GLN QE 2 64 LYS QG . . 5.500 4.499 3.469 4.845 . 0 0 "[ . 1 . 2]" 1
1384 2 57 TYR HA 2 61 ASN QD . . 5.500 3.560 2.869 5.383 . 0 0 "[ . 1 . 2]" 1
1385 2 16 LEU H 2 16 LEU QB . . 3.500 2.305 2.152 2.380 . 0 0 "[ . 1 . 2]" 1
1386 2 13 PHE HA 2 16 LEU H . . 4.500 3.293 3.213 3.422 . 0 0 "[ . 1 . 2]" 1
1387 2 33 THR HA 2 34 VAL H . . 3.500 2.688 2.226 3.511 0.011 20 0 "[ . 1 . 2]" 1
1388 2 34 VAL H 2 35 TYR H . . 5.500 4.404 2.951 4.671 . 0 0 "[ . 1 . 2]" 1
1389 2 29 LEU HG 2 50 GLN H . . 5.500 5.209 4.861 5.501 0.001 16 0 "[ . 1 . 2]" 1
1390 2 17 ASN H 2 17 ASN QD . . 5.500 4.677 4.573 4.817 . 0 0 "[ . 1 . 2]" 1
1391 2 17 ASN QD 2 19 LYS QB . . 4.500 2.510 1.821 3.063 . 0 0 "[ . 1 . 2]" 1
1392 2 32 GLU HA 2 33 THR H . . 5.500 3.114 2.083 3.552 . 0 0 "[ . 1 . 2]" 1
1393 2 34 VAL HB 2 35 TYR H . . 5.500 4.204 4.049 4.362 . 0 0 "[ . 1 . 2]" 1
1394 2 44 ASN HA 2 45 GLU H . . 3.500 2.494 2.391 2.638 . 0 0 "[ . 1 . 2]" 1
1395 2 4 SER QB 2 7 ASP H . . 5.500 2.650 2.324 3.051 . 0 0 "[ . 1 . 2]" 1
1396 2 13 PHE HZ 2 55 ILE QG . . 5.500 2.644 2.183 2.949 . 0 0 "[ . 1 . 2]" 1
1397 2 13 PHE HZ 2 25 ALA MB . . 5.500 2.473 2.199 2.792 . 0 0 "[ . 1 . 2]" 1
1398 2 13 PHE HZ 2 21 MET QG . . 5.500 2.965 2.535 5.245 . 0 0 "[ . 1 . 2]" 1
1399 2 13 PHE HZ 2 25 ALA H . . 5.500 4.408 4.005 4.728 . 0 0 "[ . 1 . 2]" 1
1400 2 26 TRP HD1 2 47 ASP QB . . 5.500 3.150 2.366 4.194 . 0 0 "[ . 1 . 2]" 1
1401 2 26 TRP QB 2 26 TRP HZ3 . . 5.500 4.921 4.774 5.447 . 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 16
_Distance_constraint_stats_list.Viol_count 212
_Distance_constraint_stats_list.Viol_total 443.695
_Distance_constraint_stats_list.Viol_max 0.426
_Distance_constraint_stats_list.Viol_rms 0.0778
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0693
_Distance_constraint_stats_list.Viol_average_violations_only 0.1046
_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 1 ALA 0.974 0.100 10 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 1.871 0.155 10 0 "[ . 1 . 2]"
1 19 LYS 1.544 0.130 20 0 "[ . 1 . 2]"
1 22 THR 0.950 0.080 18 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TRP 6.769 0.270 10 0 "[ . 1 . 2]"
1 27 TRP 10.077 0.426 1 0 "[ . 1 . 2]"
2 1 ALA 0.950 0.080 18 0 "[ . 1 . 2]"
2 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ALA 1.544 0.130 20 0 "[ . 1 . 2]"
2 19 LYS 1.871 0.155 10 0 "[ . 1 . 2]"
2 22 THR 0.974 0.100 10 0 "[ . 1 . 2]"
2 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 TRP 6.788 0.229 1 0 "[ . 1 . 2]"
2 27 TRP 10.057 0.426 1 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 3 GLU HA 2 19 LYS HA . . 5.500 4.710 4.353 5.086 . 0 0 "[ . 1 . 2]" 2
2 1 5 ALA HA 2 19 LYS HA . . 3.500 3.548 3.150 3.655 0.155 10 0 "[ . 1 . 2]" 2
3 1 1 ALA HA 2 22 THR HG1 . . 5.500 5.470 4.364 5.600 0.100 10 0 "[ . 1 . 2]" 2
4 1 19 LYS HA 2 3 GLU HA . . 5.500 4.744 4.371 5.247 . 0 0 "[ . 1 . 2]" 2
5 1 19 LYS HA 2 5 ALA HA . . 3.500 3.556 3.141 3.630 0.130 20 0 "[ . 1 . 2]" 2
6 1 22 THR HG1 2 1 ALA HA . . 5.500 5.534 5.237 5.580 0.080 18 0 "[ . 1 . 2]" 2
7 1 27 TRP HZ2 2 27 TRP HA . . 5.500 5.625 3.714 5.926 0.426 1 0 "[ . 1 . 2]" 2
8 1 23 PRO HA 2 27 TRP HZ2 . . 5.500 4.969 2.684 5.414 . 0 0 "[ . 1 . 2]" 2
9 1 26 TRP HA 2 27 TRP HZ3 . . 5.500 5.585 5.533 5.770 0.270 10 0 "[ . 1 . 2]" 2
10 1 27 TRP HA 2 27 TRP HZ2 . . 5.500 5.704 5.588 5.888 0.388 10 0 "[ . 1 . 2]" 2
11 1 27 TRP HZ2 2 23 PRO HA . . 5.500 4.723 2.788 5.480 . 0 0 "[ . 1 . 2]" 2
12 1 27 TRP HZ3 2 26 TRP HA . . 5.500 5.584 5.467 5.729 0.229 1 0 "[ . 1 . 2]" 2
13 1 26 TRP HZ3 2 26 TRP HH2 . . 3.500 3.302 2.893 3.577 0.077 12 0 "[ . 1 . 2]" 2
14 1 26 TRP HZ2 2 26 TRP HH2 . . 3.500 3.609 3.477 3.658 0.158 6 0 "[ . 1 . 2]" 2
15 1 26 TRP HH2 2 26 TRP HZ2 . . 3.500 3.593 3.502 3.656 0.156 13 0 "[ . 1 . 2]" 2
16 1 26 TRP HH2 2 26 TRP HZ3 . . 3.500 3.411 2.994 3.596 0.096 1 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 5:00:56 PM GMT (wattos1)