NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555583 |
2lov   |
18226 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lov
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 780
_Distance_constraint_stats_list.Viol_count 1416
_Distance_constraint_stats_list.Viol_total 989.411
_Distance_constraint_stats_list.Viol_max 0.258
_Distance_constraint_stats_list.Viol_rms 0.0070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0175
_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 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 GLU 0.003 0.001 30 0 "[ . 1 . 2 . 3 . 4]"
1 4 GLY 0.006 0.003 30 0 "[ . 1 . 2 . 3 . 4]"
1 5 GLY 0.003 0.003 30 0 "[ . 1 . 2 . 3 . 4]"
1 6 ASP 0.042 0.030 30 0 "[ . 1 . 2 . 3 . 4]"
1 7 PHE 0.314 0.068 40 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASP 0.962 0.158 26 0 "[ . 1 . 2 . 3 . 4]"
1 9 ASN 1.196 0.258 31 0 "[ . 1 . 2 . 3 . 4]"
1 10 TYR 1.372 0.162 35 0 "[ . 1 . 2 . 3 . 4]"
1 11 TYR 1.447 0.176 31 0 "[ . 1 . 2 . 3 . 4]"
1 12 GLY 0.875 0.121 26 0 "[ . 1 . 2 . 3 . 4]"
1 13 ALA 0.966 0.176 31 0 "[ . 1 . 2 . 3 . 4]"
1 14 ASP 0.263 0.064 23 0 "[ . 1 . 2 . 3 . 4]"
1 15 ASN 0.078 0.018 40 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.213 0.041 26 0 "[ . 1 . 2 . 3 . 4]"
1 17 SER 0.622 0.088 8 0 "[ . 1 . 2 . 3 . 4]"
1 18 GLU 0.988 0.115 27 0 "[ . 1 . 2 . 3 . 4]"
1 19 CYS 0.777 0.124 33 0 "[ . 1 . 2 . 3 . 4]"
1 20 GLU 0.313 0.047 33 0 "[ . 1 . 2 . 3 . 4]"
1 21 TYR 0.401 0.124 33 0 "[ . 1 . 2 . 3 . 4]"
1 22 THR 1.209 0.162 32 0 "[ . 1 . 2 . 3 . 4]"
1 23 ASP 1.311 0.162 32 0 "[ . 1 . 2 . 3 . 4]"
1 24 TRP 0.353 0.117 27 0 "[ . 1 . 2 . 3 . 4]"
1 25 LYS 0.782 0.083 38 0 "[ . 1 . 2 . 3 . 4]"
1 26 SER 0.961 0.091 40 0 "[ . 1 . 2 . 3 . 4]"
1 27 SER 0.196 0.054 40 0 "[ . 1 . 2 . 3 . 4]"
1 28 GLY 0.472 0.073 35 0 "[ . 1 . 2 . 3 . 4]"
1 29 ALA 0.723 0.091 40 0 "[ . 1 . 2 . 3 . 4]"
1 30 LEU 0.472 0.078 30 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 0.649 0.169 36 0 "[ . 1 . 2 . 3 . 4]"
1 32 PRO 0.745 0.162 36 0 "[ . 1 . 2 . 3 . 4]"
1 33 ALA 0.695 0.079 32 0 "[ . 1 . 2 . 3 . 4]"
1 34 ILE 1.927 0.105 32 0 "[ . 1 . 2 . 3 . 4]"
1 35 TYR 0.897 0.169 36 0 "[ . 1 . 2 . 3 . 4]"
1 36 MET 0.868 0.105 32 0 "[ . 1 . 2 . 3 . 4]"
1 37 LEU 0.573 0.105 32 0 "[ . 1 . 2 . 3 . 4]"
1 38 VAL 0.999 0.122 32 0 "[ . 1 . 2 . 3 . 4]"
1 39 PHE 0.422 0.122 32 0 "[ . 1 . 2 . 3 . 4]"
1 40 LEU 0.371 0.043 35 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 1.101 0.080 14 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.133 0.020 34 0 "[ . 1 . 2 . 3 . 4]"
1 43 THR 0.592 0.080 14 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 1.098 0.079 24 0 "[ . 1 . 2 . 3 . 4]"
1 45 GLY 0.879 0.103 24 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASN 0.419 0.079 29 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLY 0.578 0.103 24 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.735 0.105 32 0 "[ . 1 . 2 . 3 . 4]"
1 49 VAL 0.985 0.111 39 0 "[ . 1 . 2 . 3 . 4]"
1 50 LEU 1.031 0.160 39 0 "[ . 1 . 2 . 3 . 4]"
1 51 TRP 1.019 0.160 39 0 "[ . 1 . 2 . 3 . 4]"
1 52 THR 0.440 0.063 29 0 "[ . 1 . 2 . 3 . 4]"
1 53 VAL 0.558 0.068 36 0 "[ . 1 . 2 . 3 . 4]"
1 54 PHE 0.148 0.033 20 0 "[ . 1 . 2 . 3 . 4]"
1 55 ARG 1.807 0.157 36 0 "[ . 1 . 2 . 3 . 4]"
1 56 LYS 0.934 0.063 29 0 "[ . 1 . 2 . 3 . 4]"
1 57 LYS 0.252 0.036 15 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLY 0.470 0.067 36 0 "[ . 1 . 2 . 3 . 4]"
1 59 HIS 0.515 0.067 36 0 "[ . 1 . 2 . 3 . 4]"
1 60 HIS 0.174 0.045 11 0 "[ . 1 . 2 . 3 . 4]"
1 61 HIS 0.652 0.129 18 0 "[ . 1 . 2 . 3 . 4]"
1 62 HIS 0.652 0.129 18 0 "[ . 1 . 2 . 3 . 4]"
1 63 HIS 2.497 0.152 18 0 "[ . 1 . 2 . 3 . 4]"
1 64 HIS 2.331 0.152 18 0 "[ . 1 . 2 . 3 . 4]"
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 MET HA 1 1 MET QG 3.400 . 5.000 2.634 2.151 3.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 MET QB 1 3 GLU HA 3.400 . 5.000 4.641 3.458 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 MET ME 1 3 GLU HA 3.900 . 6.000 5.315 3.031 5.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 GLU H 1 3 GLU QG 3.900 . 6.000 4.897 3.018 5.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 GLU HA 1 2 GLU QB . . 2.800 2.357 2.161 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 GLU HA 1 2 GLU QG 2.900 . 4.000 2.533 2.178 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 2 GLU HA 1 3 GLU H 2.900 . 4.000 2.684 2.147 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 3 GLU H 1 3 GLU QB 3.400 . 4.000 2.638 2.044 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 3 GLU H 1 4 GLY H 2.900 . 4.000 2.930 1.810 4.001 0.001 30 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 3 GLU HA 1 3 GLU QB . . 2.800 2.379 2.171 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 3 GLU HA 1 3 GLU QG 2.900 . 4.000 2.507 2.136 3.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 3 GLU HA 1 4 GLY H 2.900 . 4.000 3.148 2.148 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 3 GLU QB 1 3 GLU QG 2.300 . 2.800 2.082 2.012 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 3 GLU QB 1 4 GLY H 3.400 . 5.000 3.009 1.799 4.021 0.001 25 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 4 GLY H 1 5 GLY H 3.400 . 4.000 3.310 2.123 4.003 0.003 30 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 4 GLY QA 1 5 GLY H 2.900 . 4.000 2.385 2.120 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 5 GLY QA 1 6 ASP H 2.900 . 4.000 2.360 2.121 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 6 ASP H 1 6 ASP HA 2.900 . 4.000 2.807 2.297 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 6 ASP H 1 6 ASP QB 2.900 . 4.000 2.726 2.110 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 6 ASP H 1 7 PHE H 2.300 . 2.800 2.374 1.800 2.830 0.030 30 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 6 ASP HA 1 6 ASP QB . . 2.800 2.393 2.160 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 6 ASP QB 1 7 PHE H 3.400 . 4.000 3.192 1.995 4.006 0.006 4 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 6 ASP QB 1 7 PHE QD 3.900 . 6.000 4.367 2.095 5.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 7 PHE H 1 7 PHE QB 2.900 . 4.000 3.023 2.557 3.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 7 PHE H 1 7 PHE QD 3.900 . 6.000 3.513 2.309 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 7 PHE H 1 8 ASP H 2.300 . 2.800 2.691 2.436 2.868 0.068 40 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 7 PHE HA 1 8 ASP H 2.300 . 2.800 2.728 2.414 2.860 0.060 40 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 7 PHE QB 1 8 ASP H 2.900 . 4.000 3.916 3.862 4.022 0.022 34 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 8 ASP H 1 8 ASP QB . . 2.800 2.771 2.527 2.958 0.158 26 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 8 ASP H 1 9 ASN H 2.300 . 2.800 2.705 2.450 2.840 0.040 26 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 8 ASP HA 1 8 ASP QB 2.300 . 2.800 2.384 2.180 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 8 ASP HA 1 9 ASN H . . 2.800 2.699 2.504 2.827 0.027 38 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 9 ASN H 1 9 ASN HA 2.900 . 4.000 2.909 2.307 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 9 ASN H 1 9 ASN QB . . 2.800 2.692 2.198 3.058 0.258 31 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 9 ASN H 1 10 TYR QB 3.400 . 5.000 4.672 3.559 5.031 0.031 25 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 9 ASN H 1 11 TYR H 2.300 . 2.800 2.701 2.027 2.976 0.176 31 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 9 ASN H 1 11 TYR QD 3.400 . 5.000 3.861 1.825 5.053 0.053 26 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 9 ASN HA 1 10 TYR H 2.900 . 4.000 2.988 2.147 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 10 TYR H 1 10 TYR HA 2.900 . 4.000 2.634 2.289 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 10 TYR H 1 10 TYR QB 2.300 . 2.800 2.631 2.063 2.962 0.162 35 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 10 TYR H 1 10 TYR QD 3.400 . 5.000 3.517 1.838 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 10 TYR H 1 14 ASP QB 3.400 . 5.000 4.571 2.984 5.023 0.023 34 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 10 TYR HA 1 10 TYR QB 2.300 . 2.800 2.434 2.170 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 10 TYR HA 1 10 TYR QD 3.400 . 5.000 2.751 2.402 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 10 TYR HA 1 11 TYR H 2.900 . 4.000 3.208 2.779 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 10 TYR HA 1 13 ALA H 3.400 . 5.000 4.622 3.857 5.098 0.098 23 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 10 TYR QB 1 13 ALA H 3.400 . 5.000 3.794 1.794 5.000 0.006 37 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 10 TYR QB 1 11 TYR QE 3.400 . 5.000 4.615 2.520 5.081 0.081 34 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 11 TYR H 1 11 TYR HA 2.900 . 4.000 2.656 2.297 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 11 TYR H 1 11 TYR QB 2.900 . 4.000 2.756 2.146 3.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 11 TYR H 1 11 TYR QD 3.400 . 5.000 2.957 1.786 4.035 0.014 23 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 11 TYR H 1 12 GLY H 2.900 . 4.000 3.383 2.254 4.096 0.096 34 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 11 TYR H 1 12 GLY H 2.900 . 4.000 2.641 1.801 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 11 TYR H 1 12 GLY QA 2.900 . 4.000 2.571 2.319 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 11 TYR HA 1 11 TYR QB 2.300 . 2.800 2.328 2.156 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 11 TYR HA 1 11 TYR QD 3.400 . 5.000 3.051 2.425 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 11 TYR HA 1 11 TYR QE 3.900 . 6.000 4.829 4.169 5.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 11 TYR HA 1 12 GLY H 2.300 . 2.800 2.552 2.147 2.921 0.121 26 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 11 TYR QB 1 12 GLY H 3.400 . 4.000 3.868 3.468 4.024 0.024 4 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 12 GLY H 1 12 GLY QA . . 2.800 2.368 2.195 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 12 GLY H 1 13 ALA H 2.900 . 4.000 2.822 1.870 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 12 GLY H 1 13 ALA MB 3.900 . 6.000 4.638 4.103 5.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 12 GLY QA 1 13 ALA H 2.300 . 2.800 2.585 2.324 2.915 0.115 26 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 12 GLY QA 1 13 ALA HA 3.400 . 5.000 4.166 3.995 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 12 GLY QA 1 13 ALA MB 3.400 . 5.000 3.550 3.286 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 12 GLY QA 1 14 ASP H 3.400 . 5.000 4.383 3.298 5.003 0.003 33 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 13 ALA H 1 13 ALA HA 2.900 . 4.000 2.792 2.318 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 13 ALA H 1 13 ALA MB 2.900 . 4.000 2.843 2.324 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 13 ALA H 1 14 ASP H 2.900 . 4.000 2.778 1.798 3.814 0.002 27 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 13 ALA H 1 14 ASP HA 3.400 . 5.000 4.452 3.832 5.064 0.064 23 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 13 ALA H 1 14 ASP QB 2.900 . 4.000 3.617 3.194 4.047 0.047 37 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 13 ALA HA 1 14 ASP H 2.900 . 4.000 3.057 2.144 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 13 ALA MB 1 14 ASP H 3.400 . 5.000 2.851 1.810 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 13 ALA MB 1 16 GLN QB 3.900 . 6.000 5.308 2.906 6.012 0.012 4 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 14 ASP H 1 14 ASP HA 2.900 . 4.000 2.565 2.296 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 14 ASP H 1 14 ASP QB 2.900 . 4.000 2.795 2.172 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 14 ASP H 1 15 ASN H 2.300 . 2.800 2.564 1.800 2.808 0.008 4 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 14 ASP HA 1 14 ASP QB 2.300 . 2.800 2.403 2.155 2.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 15 ASN H 1 15 ASN HA 2.900 . 4.000 2.711 2.296 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 15 ASN H 1 15 ASN QB 2.900 . 4.000 2.894 2.114 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 15 ASN HA 1 15 ASN QB 2.300 . 2.800 2.338 2.156 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 15 ASN HA 1 15 ASN QD 3.400 . 5.000 3.368 1.794 4.421 0.006 21 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 15 ASN HA 1 16 GLN H 2.900 . 4.000 2.569 2.149 3.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 15 ASN HA 1 16 GLN QE 2.900 . 4.000 3.478 2.239 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 15 ASN HA 1 17 SER H 2.900 . 4.000 3.509 2.880 3.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 15 ASN HA 1 18 GLU H 2.900 . 4.000 3.695 2.622 4.008 0.008 22 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 15 ASN QB 1 15 ASN QD 2.900 . 4.000 2.360 2.178 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 15 ASN QB 1 16 GLN H 2.900 . 4.000 3.679 1.798 4.018 0.018 40 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 16 GLN H 1 16 GLN HA 2.900 . 4.000 2.864 2.343 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 16 GLN H 1 16 GLN QB . . 2.800 2.551 2.137 2.827 0.027 34 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 16 GLN H 1 16 GLN QG 2.900 . 4.000 2.614 1.799 3.946 0.001 10 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 16 GLN HA 1 16 GLN QB 2.300 . 2.800 2.285 2.169 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 16 GLN HA 1 16 GLN QG 2.900 . 4.000 2.835 2.269 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 16 GLN HA 1 17 SER H 2.900 . 4.000 3.236 2.571 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 16 GLN HA 1 19 CYS QB 3.400 . 5.000 4.384 3.783 5.005 0.005 7 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 16 GLN QB 1 16 GLN QG 2.300 . 2.800 2.045 1.979 2.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 16 GLN QB 1 17 SER H 2.900 . 4.000 3.390 2.230 4.041 0.041 26 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 17 SER H 1 17 SER HA 2.900 . 4.000 2.753 2.316 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 17 SER H 1 17 SER QB 2.900 . 4.000 2.998 2.267 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 17 SER H 1 18 GLU H . . 2.800 2.204 1.765 2.811 0.035 38 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 17 SER H 1 18 GLU QB 2.900 . 4.000 3.686 3.140 4.088 0.088 8 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 17 SER H 1 19 CYS H 2.900 . 4.000 2.945 2.079 3.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 17 SER HA 1 17 SER QB 2.300 . 2.800 2.327 2.159 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 17 SER HA 1 18 GLU H 2.900 . 4.000 3.085 2.427 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 17 SER QB 1 18 GLU H 2.900 . 4.000 3.516 1.998 4.008 0.008 17 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 18 GLU H 1 18 GLU HA 2.900 . 4.000 2.745 2.301 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 18 GLU H 1 18 GLU QB . . 2.800 2.472 2.047 2.829 0.029 38 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 18 GLU H 1 18 GLU QG 2.900 . 4.000 3.855 2.406 4.038 0.038 29 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 18 GLU H 1 21 TYR QD 3.900 . 6.000 5.102 2.615 6.115 0.115 27 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 18 GLU H 1 19 CYS QB 3.400 . 5.000 4.659 3.870 5.010 0.010 8 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 18 GLU HA 1 18 GLU QB 2.300 . 2.800 2.444 2.181 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 18 GLU HA 1 18 GLU QG 2.900 . 4.000 2.331 2.133 3.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 18 GLU HA 1 19 CYS H 2.900 . 4.000 2.632 2.145 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 18 GLU QB 1 18 GLU QG 2.300 . 2.800 2.082 1.989 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 18 GLU QB 1 19 CYS HA 3.400 . 5.000 4.111 3.647 4.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 18 GLU QB 1 21 TYR H 2.900 . 4.000 3.670 2.911 3.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 18 GLU QG 1 19 CYS HA 3.400 . 5.000 4.415 3.327 5.028 0.028 27 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 19 CYS H 1 19 CYS HA 2.900 . 4.000 2.623 2.296 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 19 CYS H 1 19 CYS QB 2.900 . 4.000 2.966 2.081 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 19 CYS H 1 20 GLU H . . 2.800 2.490 1.795 2.843 0.043 27 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 19 CYS HA 1 19 CYS QB 2.300 . 2.800 2.351 2.159 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 19 CYS HA 1 20 GLU H 2.900 . 4.000 3.095 2.412 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 19 CYS HA 1 21 TYR H 2.900 . 4.000 3.474 2.865 4.124 0.124 33 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 19 CYS HA 1 23 ASP H 3.400 . 5.000 4.805 3.892 5.122 0.122 40 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 19 CYS QB 1 20 GLU H 2.900 . 4.000 3.577 2.121 4.013 0.013 19 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 19 CYS QB 1 20 GLU HA 3.400 . 5.000 4.457 3.888 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 20 GLU H 1 20 GLU HA 2.900 . 4.000 2.839 2.308 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 20 GLU H 1 20 GLU QB 2.300 . 2.800 2.425 2.087 2.847 0.047 33 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 20 GLU H 1 20 GLU QG 2.900 . 4.000 3.198 1.862 4.027 0.027 12 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 20 GLU H 1 21 TYR H 2.900 . 4.000 2.879 1.970 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 20 GLU H 1 21 TYR HA 3.900 . 6.000 5.028 4.378 5.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 20 GLU HA 1 20 GLU QB 2.300 . 2.800 2.408 2.180 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 20 GLU HA 1 20 GLU QG 2.900 . 4.000 2.394 2.137 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 20 GLU HA 1 21 TYR H 2.900 . 4.000 2.976 2.526 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 20 GLU HA 1 23 ASP H 3.400 . 5.000 4.439 3.204 5.039 0.039 40 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 20 GLU QB 1 20 GLU QG 2.300 . 2.800 2.079 2.021 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 20 GLU QB 1 21 TYR H 2.900 . 4.000 3.713 3.009 4.018 0.018 33 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 21 TYR H 1 21 TYR HA 2.900 . 4.000 2.755 2.282 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 21 TYR H 1 21 TYR QB 2.900 . 4.000 2.634 2.054 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 21 TYR H 1 21 TYR QD 3.900 . 5.000 3.305 2.033 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 21 TYR H 1 22 THR H 2.900 . 4.000 2.715 1.774 3.860 0.026 32 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 21 TYR HA 1 21 TYR QB 2.300 . 2.800 2.437 2.159 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 21 TYR HA 1 21 TYR QD 3.400 . 4.000 2.768 2.332 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 21 TYR HA 1 22 THR H 2.900 . 4.000 3.153 2.165 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 21 TYR QB 1 21 TYR QD 2.900 . 4.000 2.159 2.149 2.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 21 TYR QB 1 22 THR H 3.400 . 4.000 3.121 1.801 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 21 TYR QD 1 22 THR H 3.400 . 5.000 4.383 2.463 4.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 22 THR H 1 22 THR HA 2.900 . 4.000 2.664 2.296 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 22 THR H 1 22 THR HB 2.900 . 4.000 3.623 2.831 4.004 0.004 6 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 22 THR H 1 22 THR MG 3.400 . 5.000 3.475 2.332 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 22 THR H 1 23 ASP H 2.900 . 4.000 2.270 1.783 2.803 0.017 32 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 22 THR H 1 23 ASP H 2.900 . 4.000 2.264 1.782 2.777 0.018 32 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 22 THR H 1 24 TRP H 2.900 . 4.000 3.777 2.549 4.117 0.117 27 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 22 THR HA 1 22 THR MG 2.300 . 2.800 2.272 2.121 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 22 THR HA 1 23 ASP H 2.900 . 4.000 2.987 2.609 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 22 THR HA 1 23 ASP HA 3.400 . 5.000 4.463 4.352 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 22 THR HA 1 23 ASP QB 3.400 . 5.000 4.904 4.568 5.162 0.162 32 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 22 THR HA 1 24 TRP HE1 2.900 . 4.000 3.468 2.766 4.024 0.024 38 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 22 THR HA 1 25 LYS QB 3.900 . 6.000 5.835 4.351 6.049 0.049 28 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 22 THR HA 1 25 LYS QG 2.900 . 4.000 3.933 3.185 4.074 0.074 38 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 22 THR HB 1 23 ASP H 3.400 . 5.000 4.111 2.734 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 22 THR MG 1 23 ASP H 3.400 . 5.000 4.211 3.304 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 22 THR MG 1 24 TRP HE1 3.900 . 6.000 4.507 3.291 5.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 22 THR MG 1 25 LYS QE 3.400 . 5.000 3.072 2.044 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 23 ASP H 1 23 ASP HA 2.900 . 4.000 2.942 2.880 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 23 ASP H 1 23 ASP QB 2.900 . 4.000 2.582 2.217 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 23 ASP H 1 24 TRP H 2.300 . 2.800 2.021 1.776 2.803 0.024 27 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 23 ASP H 1 24 TRP HD1 3.400 . 5.000 2.622 1.894 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 23 ASP H 1 25 LYS H 3.400 . 5.000 3.957 3.076 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 23 ASP HA 1 24 TRP H 2.900 . 4.000 3.205 2.954 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 23 ASP HA 1 25 LYS H 2.900 . 4.000 3.340 3.112 4.021 0.021 27 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 23 ASP HA 1 26 SER H 2.900 . 4.000 3.185 2.480 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 23 ASP HA 1 26 SER QB 2.900 . 4.000 3.370 2.281 4.042 0.042 10 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 23 ASP HA 1 27 SER H 2.900 . 4.000 3.523 2.457 4.002 0.002 40 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 23 ASP QB 1 24 TRP H 2.900 . 4.000 3.499 2.588 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 24 TRP H 1 24 TRP HA 2.900 . 4.000 2.893 2.752 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 24 TRP H 1 24 TRP QB 2.900 . 4.000 2.588 2.235 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 24 TRP H 1 24 TRP HD1 3.400 . 4.000 1.954 1.810 2.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 24 TRP H 1 24 TRP HE1 3.400 . 5.000 4.154 3.731 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 24 TRP H 1 25 LYS H 2.900 . 4.000 2.416 1.819 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 24 TRP HA 1 24 TRP QB 2.300 . 2.800 2.188 2.179 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 24 TRP HA 1 24 TRP HD1 3.400 . 5.000 4.226 4.049 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 24 TRP HA 1 25 LYS H 2.900 . 4.000 3.317 3.198 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 24 TRP HA 1 25 LYS H 2.900 . 4.000 3.220 3.137 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 24 TRP QB 1 24 TRP HD1 2.900 . 4.000 2.703 2.559 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 24 TRP QB 1 25 LYS H 3.400 . 5.000 3.801 3.518 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 24 TRP HD1 1 25 LYS H 3.400 . 5.000 3.628 2.347 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 24 TRP HE1 1 25 LYS H 3.400 . 5.000 4.707 3.550 5.015 0.015 9 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 24 TRP HE1 1 25 LYS QB 3.400 . 5.000 4.500 2.955 4.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 24 TRP HE1 1 25 LYS QE 3.400 . 5.000 3.481 1.972 5.004 0.004 27 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 24 TRP HE1 1 25 LYS QG 3.400 . 5.000 2.968 2.436 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 25 LYS H 1 25 LYS QD 2.300 . 2.800 1.880 1.748 2.869 0.069 39 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 25 LYS H 1 25 LYS QE 3.400 . 5.000 3.605 3.221 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 25 LYS H 1 25 LYS QG 2.900 . 4.000 2.302 1.808 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 25 LYS H 1 26 SER H 2.900 . 4.000 1.987 1.785 2.705 0.015 16 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 25 LYS H 1 27 SER H 3.400 . 5.000 4.341 3.293 5.002 0.002 40 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 25 LYS HA 1 25 LYS QE 3.900 . 6.000 5.203 3.961 5.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 25 LYS HA 1 25 LYS QG 2.900 . 4.000 3.393 3.184 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 25 LYS HA 1 26 SER H 2.900 . 4.000 3.176 3.053 3.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 25 LYS QD 1 25 LYS QG 2.300 . 2.800 2.094 2.028 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 25 LYS QD 1 26 SER H 2.900 . 4.000 2.447 2.074 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 25 LYS QD 1 26 SER HA 2.900 . 4.000 3.537 3.135 4.083 0.083 38 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 25 LYS QD 1 26 SER QB 2.900 . 4.000 2.503 2.068 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 25 LYS QD 1 27 SER QB 3.900 . 6.000 4.370 2.073 5.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 25 LYS QE 1 25 LYS QG 2.900 . 4.000 2.258 2.081 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 25 LYS QE 1 26 SER H 3.400 . 5.000 4.388 3.621 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 25 LYS QG 1 26 SER H 2.900 . 4.000 3.790 2.399 4.011 0.011 30 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 26 SER H 1 26 SER HA 2.900 . 4.000 2.755 2.295 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 26 SER H 1 26 SER QB 2.900 . 4.000 2.749 2.241 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 26 SER H 1 27 SER H 2.900 . 4.000 2.908 1.836 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 26 SER H 1 27 SER QB 3.400 . 5.000 4.435 3.218 5.004 0.004 16 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 26 SER H 1 28 GLY H 3.400 . 5.000 3.950 2.467 5.020 0.020 40 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 26 SER HA 1 26 SER QB 2.300 . 2.800 2.304 2.164 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 26 SER HA 1 27 SER H 2.900 . 4.000 3.182 2.163 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 26 SER HA 1 28 GLY H 2.900 . 4.000 3.660 2.869 4.019 0.019 30 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 26 SER HA 1 29 ALA H 3.400 . 5.000 4.534 2.473 5.012 0.012 7 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 26 SER HA 1 29 ALA MB 2.900 . 4.000 3.713 3.062 4.091 0.091 40 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 26 SER HA 1 30 LEU QD 3.400 . 5.000 3.771 2.371 5.022 0.022 23 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 26 SER QB 1 27 SER H 2.900 . 4.000 2.736 1.813 4.041 0.041 16 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 26 SER QB 1 28 GLY H 2.900 . 4.000 3.373 2.050 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 27 SER H 1 27 SER HA 2.900 . 4.000 2.801 2.292 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 27 SER H 1 27 SER QB 2.900 . 4.000 2.611 2.048 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 27 SER H 1 28 GLY H 2.900 . 4.000 2.711 1.798 3.823 0.002 28 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 27 SER HA 1 27 SER QB 2.300 . 2.800 2.312 2.155 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 27 SER HA 1 28 GLY H 2.900 . 4.000 3.074 2.626 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 27 SER HA 1 29 ALA H 3.400 . 5.000 3.724 2.868 4.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 27 SER HA 1 30 LEU QD 3.400 . 5.000 3.633 2.274 5.054 0.054 40 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 27 SER QB 1 30 LEU QD 3.900 . 5.000 4.584 2.913 5.014 0.014 29 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 27 SER QB 1 31 ILE HB 3.900 . 6.000 5.264 3.812 6.005 0.005 3 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 28 GLY H 1 28 GLY QA 2.300 . 2.800 2.437 2.216 2.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 28 GLY H 1 29 ALA H 2.900 . 4.000 2.211 1.754 2.887 0.046 23 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 28 GLY H 1 29 ALA MB 3.900 . 5.000 3.432 3.101 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 28 GLY H 1 30 LEU HG 3.900 . 6.000 4.996 3.841 6.035 0.035 35 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 28 GLY H 1 31 ILE H 3.400 . 5.000 4.682 4.189 5.073 0.073 35 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 28 GLY H 1 31 ILE MD 3.900 . 6.000 4.811 3.747 5.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 28 GLY QA 1 29 ALA H 2.900 . 4.000 2.801 2.638 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 29 ALA H 1 29 ALA HA 2.900 . 4.000 2.873 2.293 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 29 ALA H 1 29 ALA MB 2.900 . 4.000 2.602 2.207 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 29 ALA H 1 30 LEU HA 3.400 . 5.000 4.531 4.309 5.078 0.078 30 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 29 ALA H 1 30 LEU QB 3.400 . 5.000 3.289 2.732 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 29 ALA H 1 30 LEU QD 3.400 . 5.000 2.900 2.098 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 29 ALA H 1 32 PRO QG 3.400 . 5.000 4.132 3.594 4.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 29 ALA H 1 33 ALA MB 3.900 . 6.000 5.764 5.159 6.028 0.028 13 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 29 ALA HA 1 30 LEU H 2.900 . 4.000 3.291 2.699 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 29 ALA HA 1 30 LEU QB 3.400 . 5.000 4.536 3.988 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 29 ALA HA 1 31 ILE HB 3.400 . 5.000 3.054 2.243 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 29 ALA HA 1 31 ILE MG 3.400 . 5.000 3.307 2.996 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 29 ALA HA 1 32 PRO QD 2.900 . 4.000 3.179 2.323 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 29 ALA MB 1 30 LEU H 3.400 . 5.000 3.220 2.782 3.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 29 ALA MB 1 30 LEU QD 3.900 . 6.000 2.592 1.971 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 29 ALA MB 1 31 ILE H 3.400 . 5.000 4.628 4.278 5.009 0.009 30 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 29 ALA MB 1 31 ILE HB 3.400 . 5.000 4.152 2.306 4.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 29 ALA MB 1 32 PRO QD 3.400 . 5.000 4.113 3.430 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 30 LEU H 1 30 LEU HA 2.900 . 4.000 2.946 2.834 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 30 LEU H 1 30 LEU QB 2.900 . 4.000 2.847 2.235 3.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 30 LEU H 1 30 LEU QB 2.900 . 4.000 2.757 2.181 3.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 30 LEU H 1 30 LEU QD 3.400 . 5.000 2.443 1.776 3.612 0.024 30 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 30 LEU H 1 30 LEU HG 2.900 . 4.000 2.618 1.818 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 30 LEU H 1 31 ILE HB 3.400 . 5.000 3.880 3.434 4.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 30 LEU H 1 33 ALA MB 3.900 . 6.000 4.629 4.120 5.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 30 LEU H 1 34 ILE MD 3.900 . 6.000 5.693 5.094 6.020 0.020 36 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 30 LEU HA 1 30 LEU QD 2.900 . 4.000 2.866 1.969 3.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 30 LEU HA 1 30 LEU HG 2.900 . 4.000 3.165 2.339 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 30 LEU HA 1 31 ILE MD 3.400 . 5.000 4.380 3.851 4.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 30 LEU QB 1 30 LEU HG 2.300 . 2.800 2.457 2.195 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 30 LEU QB 1 31 ILE HA 3.400 . 5.000 4.077 3.856 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 30 LEU QB 1 33 ALA H 3.400 . 5.000 4.660 4.447 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 30 LEU QB 1 33 ALA MB 3.400 . 5.000 4.030 3.519 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 30 LEU QD 1 33 ALA MB 3.400 . 5.000 4.113 3.227 4.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 30 LEU QD 1 33 ALA H 3.900 . 6.000 5.439 4.675 5.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 30 LEU QD 1 34 ILE H 3.900 . 6.000 4.938 4.382 5.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 31 ILE H 1 31 ILE HA 2.900 . 4.000 2.881 2.840 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 31 ILE H 1 31 ILE HB 2.900 . 4.000 2.290 2.090 3.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 31 ILE H 1 31 ILE MD 3.400 . 4.000 2.300 1.976 2.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 31 ILE H 1 31 ILE QG 2.900 . 4.000 3.372 1.800 3.846 0.000 10 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 31 ILE H 1 31 ILE MG 3.900 . 4.000 3.544 3.379 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 31 ILE H 1 32 PRO QB 3.400 . 5.000 4.668 3.884 5.000 0.000 40 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 31 ILE H 1 32 PRO QD . . 2.800 1.931 1.788 2.101 0.012 37 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 31 ILE H 1 33 ALA HA 3.400 . 5.000 4.745 4.206 5.005 0.005 10 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 31 ILE H 1 33 ALA MB 3.400 . 5.000 4.206 3.967 4.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 31 ILE H 1 34 ILE HA 2.900 . 4.000 3.602 2.990 4.004 0.004 22 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 31 ILE H 1 35 TYR QB 2.900 . 4.000 3.449 2.494 3.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 31 ILE HA 1 31 ILE MD 3.400 . 4.000 2.236 2.192 2.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 31 ILE HA 1 31 ILE QG 2.900 . 4.000 2.485 2.311 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 31 ILE HA 1 31 ILE MG 2.900 . 4.000 2.641 2.141 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 31 ILE HA 1 32 PRO HA 3.400 . 5.000 4.740 4.707 4.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 31 ILE HA 1 33 ALA H 3.400 . 5.000 3.661 3.453 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 31 ILE HA 1 34 ILE HB 3.900 . 6.000 4.949 3.662 5.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 31 ILE HA 1 34 ILE MD 3.400 . 5.000 3.315 2.403 4.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 31 ILE HA 1 35 TYR H 3.400 . 5.000 4.033 3.171 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 31 ILE HA 1 35 TYR QE 3.900 . 6.000 4.710 3.439 6.169 0.169 36 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 31 ILE HB 1 31 ILE MD 2.900 . 4.000 2.457 2.275 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 31 ILE HB 1 32 PRO QD 2.900 . 4.000 2.283 2.070 2.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 31 ILE HB 1 33 ALA H 2.900 . 4.000 3.707 2.963 3.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 31 ILE HB 1 33 ALA HA 3.400 . 5.000 4.732 4.214 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 31 ILE HB 1 35 TYR QE 3.900 . 6.000 5.383 4.273 5.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 31 ILE HB 1 35 TYR QB 3.400 . 5.000 4.683 3.914 5.025 0.025 34 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 31 ILE MD 1 32 PRO QD 3.400 . 5.000 3.551 3.302 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 31 ILE MD 1 34 ILE QG 3.400 . 5.000 4.324 3.822 5.043 0.043 37 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 31 ILE MD 1 35 TYR H 3.900 . 6.000 5.570 4.549 6.011 0.011 20 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 31 ILE MD 1 35 TYR QB 3.900 . 6.000 5.253 3.527 5.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 31 ILE QG 1 31 ILE MG 2.300 . 2.800 2.128 2.093 2.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 31 ILE MG 1 32 PRO QB 3.400 . 5.000 3.546 3.040 5.005 0.005 36 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 31 ILE MG 1 32 PRO QD 2.900 . 4.000 2.775 2.238 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 31 ILE MG 1 32 PRO QD 3.400 . 5.000 2.766 2.237 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 31 ILE MG 1 33 ALA H 3.400 . 5.000 4.318 3.956 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 31 ILE MG 1 35 TYR HA 3.400 . 5.000 4.456 3.420 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 31 ILE MG 1 35 TYR QD 3.900 . 6.000 3.021 2.288 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 31 ILE MG 1 35 TYR QE 3.400 . 5.000 4.090 3.046 5.006 0.006 12 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 31 ILE MG 1 35 TYR QB 3.400 . 5.000 2.957 2.242 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 31 ILE MG 1 35 TYR QB 3.400 . 5.000 2.921 2.233 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 31 ILE MG 1 35 TYR QD 3.900 . 6.000 3.182 2.300 4.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 31 ILE MG 1 35 TYR QE 3.900 . 6.000 4.318 3.063 5.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 32 PRO HA 1 32 PRO QD 3.400 . 5.000 3.516 3.186 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 32 PRO HA 1 32 PRO QG 2.900 . 4.000 3.529 3.482 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 32 PRO HA 1 33 ALA H 3.400 . 4.000 3.136 2.991 3.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 32 PRO HA 1 33 ALA MB 3.400 . 5.000 4.700 4.584 4.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 32 PRO HA 1 35 TYR QB 2.900 . 4.000 3.495 2.471 4.162 0.162 36 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 32 PRO QB 1 33 ALA H 2.900 . 4.000 3.761 3.427 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 32 PRO QB 1 33 ALA MB 3.400 . 5.000 4.386 4.156 4.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 32 PRO QB 1 34 ILE H 3.400 . 5.000 4.108 3.712 4.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 32 PRO QB 1 36 MET H 2.900 . 4.000 3.838 3.223 4.105 0.105 32 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 32 PRO QB 1 36 MET QG 3.400 . 5.000 3.271 2.239 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 32 PRO QB 1 35 TYR QB 3.900 . 6.000 4.939 4.004 5.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 32 PRO QD 1 33 ALA H 3.400 . 5.000 2.847 2.055 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 32 PRO QG 1 33 ALA H 2.900 . 4.000 3.824 2.984 4.035 0.035 36 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 32 PRO QG 1 35 TYR HA 3.400 . 5.000 3.498 2.623 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 32 PRO QG 1 36 MET QG 3.900 . 6.000 4.456 3.779 4.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 33 ALA H 1 33 ALA HA 2.900 . 4.000 2.946 2.829 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 33 ALA H 1 33 ALA MB 2.900 . 4.000 2.399 2.043 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 33 ALA H 1 34 ILE H 2.900 . 4.000 2.069 1.788 2.703 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 33 ALA H 1 34 ILE QG 3.400 . 4.000 2.900 2.473 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 33 ALA H 1 36 MET ME 3.900 . 6.000 5.079 4.479 5.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 33 ALA HA 1 34 ILE H 2.900 . 4.000 3.281 3.138 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 33 ALA HA 1 36 MET QB 3.400 . 5.000 4.042 3.254 5.079 0.079 32 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 33 ALA MB 1 34 ILE H 2.900 . 4.000 3.241 2.401 3.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 33 ALA MB 1 34 ILE HA 3.400 . 5.000 4.180 3.825 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 33 ALA MB 1 34 ILE HB 3.400 . 5.000 4.753 3.321 4.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 33 ALA MB 1 34 ILE MG 3.400 . 5.000 3.802 2.557 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 33 ALA MB 1 35 TYR H 3.400 . 5.000 4.826 4.140 5.015 0.015 13 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 33 ALA MB 1 35 TYR QB 3.900 . 6.000 5.869 5.226 6.023 0.023 3 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 33 ALA MB 1 36 MET ME 3.900 . 6.000 5.873 3.356 6.010 0.010 13 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 33 ALA MB 1 36 MET QG 3.900 . 6.000 4.814 4.019 5.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 33 ALA MB 1 37 LEU H 3.900 . 6.000 5.775 4.886 6.040 0.040 37 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 34 ILE H 1 34 ILE HA 2.900 . 4.000 2.940 2.916 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 34 ILE H 1 34 ILE HB 2.900 . 4.000 3.361 2.506 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 34 ILE H 1 34 ILE MD 3.400 . 5.000 3.759 1.787 4.282 0.013 37 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 34 ILE H 1 34 ILE QG 2.900 . 4.000 2.188 1.795 2.820 0.005 12 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 34 ILE H 1 34 ILE MG 2.900 . 4.000 3.655 2.589 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 34 ILE H 1 35 TYR H 2.300 . 2.800 1.995 1.716 2.322 0.084 32 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 34 ILE H 1 35 TYR QB 2.900 . 4.000 3.719 3.504 4.012 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 34 ILE H 1 36 MET QG 2.900 . 4.000 3.634 2.837 4.038 0.038 37 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 34 ILE HA 1 34 ILE HB 2.900 . 4.000 2.819 2.453 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 34 ILE HA 1 34 ILE MD 3.400 . 4.000 3.939 2.249 4.101 0.101 32 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 34 ILE HA 1 34 ILE QG 3.400 . 4.000 2.980 2.430 3.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 34 ILE HA 1 34 ILE MG 2.900 . 4.000 2.175 2.116 2.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 34 ILE HA 1 37 LEU H 3.400 . 5.000 3.607 2.991 4.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 34 ILE HA 1 37 LEU QB 3.400 . 5.000 3.535 2.345 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 34 ILE HA 1 37 LEU QD 3.400 . 5.000 3.379 2.358 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 34 ILE HA 1 38 VAL H 3.400 . 5.000 4.842 3.885 5.021 0.021 34 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 34 ILE HB 1 34 ILE MD 2.900 . 4.000 2.324 2.140 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 34 ILE HB 1 35 TYR H 2.900 . 4.000 2.914 2.444 3.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 34 ILE QG 1 34 ILE MG 2.900 . 4.000 2.264 2.015 2.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 34 ILE QG 1 38 VAL H 3.400 . 5.000 3.250 2.561 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 34 ILE MG 1 35 TYR H 3.400 . 5.000 3.898 3.280 4.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 35 TYR H 1 35 TYR HA 2.900 . 4.000 2.845 2.718 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 35 TYR H 1 35 TYR QB 2.900 . 4.000 2.170 2.058 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 35 TYR H 1 35 TYR QD 3.400 . 5.000 2.769 2.015 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 35 TYR H 1 35 TYR QE 3.900 . 6.000 4.555 4.162 5.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 35 TYR H 1 36 MET H 2.900 . 4.000 2.845 2.521 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 35 TYR H 1 36 MET QG 3.400 . 5.000 3.614 3.149 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 35 TYR H 1 36 MET QG 3.400 . 5.000 3.536 3.117 4.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 35 TYR H 1 37 LEU QB 2.900 . 4.000 3.385 2.663 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 35 TYR HA 1 35 TYR QD 3.400 . 5.000 2.777 2.392 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 35 TYR HA 1 35 TYR QE 3.400 . 5.000 4.364 4.191 5.066 0.066 36 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 35 TYR HA 1 36 MET H 2.900 . 4.000 3.174 2.929 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 35 TYR HA 1 38 VAL QG 2.900 . 4.000 3.275 2.281 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 35 TYR HA 1 38 VAL QG 3.400 . 5.000 3.547 2.295 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 35 TYR HA 1 39 PHE H 2.900 . 4.000 3.465 2.412 4.035 0.035 37 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 35 TYR QB 1 35 TYR QE 3.400 . 5.000 3.745 2.333 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 35 TYR QB 1 36 MET H 2.900 . 4.000 3.474 2.496 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 35 TYR QB 1 36 MET QG 3.400 . 5.000 3.264 2.964 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 35 TYR QD 1 36 MET ME 3.900 . 6.000 4.648 3.236 6.047 0.047 32 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 35 TYR QD 1 36 MET QG 3.900 . 6.000 5.030 2.620 5.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 35 TYR QD 1 38 VAL QG 3.900 . 6.000 4.690 3.609 5.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 35 TYR QE 1 39 PHE QD 3.900 . 6.000 4.087 2.431 5.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 36 MET H 1 36 MET HA 2.900 . 4.000 2.926 2.714 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 36 MET H 1 36 MET QB 2.900 . 4.000 2.622 2.366 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 36 MET H 1 36 MET ME 3.400 . 5.000 4.147 3.146 4.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 36 MET H 1 36 MET QG 2.900 . 4.000 2.536 1.819 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 36 MET H 1 37 LEU QB 2.900 . 4.000 2.429 2.093 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 36 MET HA 1 36 MET QG 2.900 . 4.000 2.837 2.425 3.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 36 MET HA 1 37 LEU H 2.900 . 4.000 3.560 3.432 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 36 MET HA 1 39 PHE QB 2.900 . 4.000 3.039 2.285 3.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 36 MET QB 1 37 LEU H 2.900 . 4.000 2.285 1.946 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 36 MET QB 1 37 LEU HA 3.400 . 5.000 3.852 3.614 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 36 MET QB 1 37 LEU QD 3.400 . 5.000 2.943 2.087 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 36 MET QB 1 38 VAL QG 3.400 . 5.000 4.967 4.629 5.062 0.062 37 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 36 MET ME 1 36 MET QG 3.400 . 4.000 2.148 2.114 2.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 36 MET ME 1 39 PHE H 3.900 . 6.000 5.888 5.519 6.010 0.010 24 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 36 MET ME 1 39 PHE QD 3.900 . 6.000 5.164 4.326 6.061 0.061 32 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 36 MET ME 1 40 LEU QD 3.400 . 5.000 4.126 2.369 5.005 0.005 17 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 36 MET QG 1 37 LEU H 3.400 . 5.000 3.762 3.330 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 36 MET QG 1 39 PHE QB 3.400 . 5.000 4.728 3.858 5.015 0.015 17 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 36 MET QG 1 40 LEU QD 3.400 . 5.000 4.545 3.637 5.002 0.002 9 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 37 LEU H 1 37 LEU HA 2.900 . 4.000 2.839 2.736 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 37 LEU H 1 37 LEU QB 2.900 . 4.000 2.445 2.096 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 37 LEU H 1 37 LEU QD 3.400 . 4.000 2.529 1.798 3.734 0.002 25 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 37 LEU H 1 37 LEU HG 2.900 . 4.000 2.596 1.811 4.021 0.021 37 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 37 LEU H 1 38 VAL H . . 2.800 2.721 2.085 2.847 0.047 37 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 37 LEU HA 1 37 LEU QD 2.900 . 4.000 2.375 1.936 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 37 LEU HA 1 37 LEU HG 2.900 . 4.000 2.847 2.348 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 37 LEU HA 1 38 VAL H 2.900 . 4.000 3.255 2.972 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 37 LEU HA 1 38 VAL HA 3.400 . 5.000 4.516 4.404 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 37 LEU QB 1 38 VAL H 2.900 . 4.000 3.408 2.665 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 38 VAL H 1 38 VAL HA 2.900 . 4.000 2.941 2.885 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 38 VAL H 1 38 VAL HB 2.900 . 4.000 2.841 2.430 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 38 VAL H 1 38 VAL QG 2.900 . 4.000 2.469 1.795 2.933 0.005 37 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 38 VAL H 1 39 PHE QB 3.400 . 5.000 3.811 3.496 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 38 VAL H 1 39 PHE QD 3.900 . 6.000 5.563 3.396 6.000 0.000 39 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 38 VAL H 1 40 LEU H 2.900 . 4.000 3.438 2.834 4.024 0.024 37 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 38 VAL HA 1 38 VAL HB 2.900 . 4.000 3.001 2.802 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 38 VAL HA 1 38 VAL QG 2.900 . 4.000 2.078 2.031 2.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 38 VAL HA 1 39 PHE H 3.400 . 5.000 3.547 3.370 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 38 VAL HA 1 40 LEU H 3.400 . 5.000 4.065 3.260 5.022 0.022 35 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 38 VAL HA 1 41 LEU H 3.400 . 5.000 4.125 2.835 5.002 0.002 22 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 38 VAL HA 1 41 LEU QB 3.400 . 5.000 2.846 2.280 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 38 VAL HA 1 41 LEU QD 3.400 . 5.000 3.231 2.132 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 38 VAL HA 1 41 LEU HG 2.900 . 4.000 3.829 2.450 4.030 0.030 35 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 38 VAL HA 1 42 GLY H 3.400 . 5.000 3.321 1.812 5.003 0.003 22 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 38 VAL HB 1 39 PHE H 2.900 . 4.000 2.402 1.816 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 38 VAL HB 1 39 PHE QB 2.900 . 4.000 3.928 3.533 4.122 0.122 32 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 38 VAL HB 1 40 LEU HA 3.400 . 5.000 3.935 2.704 5.006 0.006 14 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 38 VAL QG 1 39 PHE H 2.900 . 4.000 3.051 2.130 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 38 VAL QG 1 39 PHE HA 3.400 . 5.000 3.741 3.087 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 38 VAL QG 1 39 PHE QB 3.400 . 5.000 4.100 3.451 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 38 VAL QG 1 39 PHE QD 3.900 . 6.000 4.542 3.272 5.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 38 VAL QG 1 41 LEU QB 3.400 . 5.000 3.725 3.099 5.010 0.010 28 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 38 VAL QG 1 42 GLY H 3.400 . 5.000 3.477 2.438 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 38 VAL QG 1 42 GLY QA 3.400 . 5.000 3.469 2.048 5.004 0.004 33 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 39 PHE H 1 39 PHE HA 2.900 . 4.000 2.780 2.711 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 39 PHE H 1 39 PHE QB 2.900 . 4.000 2.176 2.053 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 39 PHE H 1 39 PHE QD 3.400 . 5.000 3.781 1.839 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 39 PHE H 1 40 LEU H 2.900 . 4.000 2.893 2.291 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 39 PHE HA 1 39 PHE QD 3.400 . 5.000 2.702 2.452 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 39 PHE HA 1 40 LEU H 2.900 . 4.000 3.398 2.853 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 39 PHE HA 1 42 GLY H 3.400 . 5.000 4.308 3.644 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 39 PHE QB 1 40 LEU H 2.900 . 4.000 2.861 2.013 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 39 PHE QB 1 43 THR MG 3.900 . 6.000 4.343 3.298 5.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 39 PHE QD 1 40 LEU H 3.400 . 5.000 4.288 3.016 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 39 PHE QD 1 40 LEU QD 3.900 . 6.000 3.345 2.108 5.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 39 PHE QD 1 40 LEU HG 3.900 . 6.000 3.318 2.347 5.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 39 PHE QD 1 43 THR MG 3.400 . 5.000 3.881 2.809 4.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 40 LEU H 1 40 LEU QB 2.900 . 4.000 2.496 2.124 3.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 40 LEU H 1 40 LEU QD 3.400 . 5.000 3.158 1.796 3.914 0.004 17 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 40 LEU H 1 40 LEU HG 2.900 . 4.000 3.162 2.361 4.043 0.043 35 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 40 LEU H 1 44 THR MG 3.400 . 5.000 4.693 3.911 5.033 0.033 35 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 40 LEU HA 1 40 LEU QD 2.900 . 4.000 2.459 2.108 3.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 40 LEU HA 1 40 LEU HG 2.900 . 4.000 2.516 2.305 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 40 LEU HA 1 42 GLY H 3.900 . 6.000 4.803 4.274 5.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 40 LEU HA 1 44 THR H 3.400 . 5.000 3.566 2.429 4.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 40 LEU HA 1 44 THR MG 3.400 . 5.000 2.971 2.123 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 40 LEU QB 1 41 LEU H 2.900 . 4.000 3.821 3.254 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 40 LEU QB 1 44 THR MG 3.400 . 5.000 3.744 2.726 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 40 LEU QD 1 44 THR HB 3.900 . 6.000 3.487 2.257 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 40 LEU QD 1 43 THR H 3.900 . 6.000 5.695 4.856 6.009 0.009 37 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 40 LEU QD 1 44 THR H 3.900 . 6.000 4.604 3.236 5.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 40 LEU HG 1 42 GLY H 3.400 . 5.000 2.413 2.118 3.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 40 LEU HG 1 43 THR MG 3.400 . 5.000 4.778 3.919 5.016 0.016 15 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 41 LEU H 1 41 LEU HA 2.900 . 4.000 2.889 2.825 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 41 LEU H 1 41 LEU QB 3.400 . 4.000 2.828 2.581 3.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 41 LEU H 1 41 LEU QD 3.400 . 5.000 3.745 2.373 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 41 LEU H 1 41 LEU HG 3.400 . 5.000 4.023 1.909 5.020 0.020 33 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 41 LEU H 1 42 GLY H 2.900 . 4.000 2.247 1.869 2.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 41 LEU H 1 42 GLY QA 3.400 . 4.000 3.958 3.803 4.020 0.020 34 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 41 LEU H 1 43 THR H 3.400 . 5.000 2.740 2.321 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 41 LEU H 1 44 THR HB 3.400 . 5.000 4.759 3.270 5.044 0.044 15 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 41 LEU H 1 44 THR MG 3.400 . 5.000 2.761 2.223 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 41 LEU H 1 45 GLY H 2.900 . 4.000 3.181 2.421 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 41 LEU HA 1 41 LEU QD 2.900 . 4.000 2.204 1.933 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 41 LEU HA 1 41 LEU HG 2.900 . 4.000 3.227 2.348 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 41 LEU HA 1 43 THR H 2.900 . 4.000 3.685 3.404 4.004 0.004 33 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 41 LEU HA 1 44 THR MG 2.900 . 4.000 2.284 2.090 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 41 LEU QB 1 41 LEU QD . . 2.800 1.933 1.850 2.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 41 LEU QB 1 41 LEU HG 2.300 . 2.800 2.349 2.192 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 41 LEU QB 1 42 GLY H 2.900 . 4.000 2.415 2.118 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 41 LEU QB 1 43 THR MG 3.400 . 5.000 4.800 4.161 5.080 0.080 14 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 41 LEU QB 1 44 THR MG 2.900 . 4.000 3.777 3.496 4.007 0.007 10 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 41 LEU QD 1 42 GLY QA 3.400 . 5.000 3.701 2.526 4.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 41 LEU QD 1 44 THR MG 2.900 . 4.000 3.312 2.731 4.065 0.065 37 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 41 LEU QD 1 45 GLY H 3.900 . 6.000 3.369 2.110 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 41 LEU HG 1 44 THR MG 3.400 . 5.000 4.593 3.895 5.043 0.043 15 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 42 GLY H 1 43 THR H 2.900 . 4.000 2.750 2.388 3.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 42 GLY H 1 43 THR MG 3.900 . 6.000 3.425 2.859 3.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 42 GLY H 1 43 THR MG 3.400 . 5.000 3.354 2.830 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 42 GLY H 1 44 THR MG 3.400 . 5.000 3.902 3.533 4.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 42 GLY QA 1 43 THR H 2.900 . 4.000 2.876 2.701 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 43 THR H 1 43 THR HA 2.900 . 4.000 2.906 2.836 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 43 THR H 1 43 THR HB 2.900 . 4.000 3.565 3.267 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 43 THR H 1 43 THR MG 2.900 . 4.000 2.195 1.936 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 43 THR H 1 46 ASN H 3.400 . 5.000 4.148 3.090 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 43 THR H 1 44 THR MG 3.400 . 5.000 2.434 2.174 2.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 43 THR HA 1 43 THR HB 2.300 . 2.800 2.356 2.238 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 43 THR HA 1 43 THR MG 2.900 . 4.000 3.140 2.915 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 43 THR HA 1 46 ASN H 2.900 . 4.000 3.720 2.610 4.065 0.065 30 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 43 THR HB 1 44 THR MG 3.400 . 5.000 4.856 4.572 5.009 0.009 30 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 43 THR HB 1 45 GLY H 3.400 . 5.000 4.165 3.424 5.025 0.025 16 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 43 THR MG 1 45 GLY H 3.900 . 6.000 3.523 2.105 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 43 THR MG 1 46 ASN QD 3.900 . 6.000 5.208 3.736 6.003 0.003 5 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 44 THR H 1 44 THR HA . . 2.800 2.356 2.296 2.854 0.054 2 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 44 THR H 1 44 THR HB 2.900 . 4.000 3.498 2.722 3.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 44 THR H 1 44 THR MG 2.900 . 4.000 2.442 1.799 3.062 0.001 2 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 44 THR H 1 45 GLY H 2.900 . 4.000 2.945 2.736 4.079 0.079 24 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 44 THR HA 1 46 ASN H 3.400 . 5.000 4.244 3.748 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 44 THR HA 1 44 THR MG 2.900 . 4.000 2.833 2.538 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 44 THR HA 1 45 GLY H 2.900 . 4.000 3.097 2.479 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 44 THR HB 1 45 GLY H 3.400 . 5.000 4.501 3.447 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 44 THR MG 1 45 GLY H 3.400 . 5.000 3.640 1.790 4.161 0.010 16 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 44 THR MG 1 45 GLY H 3.400 . 5.000 3.167 1.783 3.737 0.017 24 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 44 THR MG 1 45 GLY QA 3.400 . 5.000 4.575 3.489 5.024 0.024 39 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 44 THR MG 1 46 ASN H 3.400 . 5.000 3.653 2.107 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 44 THR MG 1 46 ASN QB 3.400 . 5.000 3.951 2.300 5.002 0.002 24 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 44 THR MG 1 46 ASN QB 3.900 . 6.000 3.870 2.298 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 44 THR MG 1 46 ASN QD 3.900 . 5.000 3.260 2.113 4.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 44 THR MG 1 47 GLY H 3.400 . 5.000 4.804 3.737 5.018 0.018 37 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 44 THR MG 1 47 GLY QA 3.900 . 6.000 5.344 4.014 6.006 0.006 10 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 45 GLY H 1 45 GLY QA 2.300 . 2.800 2.299 2.198 2.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 45 GLY H 1 47 GLY QA 3.400 . 5.000 4.673 3.661 5.103 0.103 24 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 45 GLY H 1 48 LEU H 3.400 . 5.000 4.256 3.112 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 45 GLY QA 1 48 LEU QB 3.400 . 5.000 4.378 3.164 5.008 0.008 16 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 45 GLY QA 1 48 LEU HG 2.900 . 4.000 3.033 2.328 4.005 0.005 28 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 45 GLY QA 1 49 VAL H 3.400 . 5.000 4.896 4.364 5.052 0.052 29 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 46 ASN H 1 46 ASN HA 2.900 . 4.000 2.886 2.315 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 46 ASN H 1 46 ASN QB 2.900 . 4.000 2.528 2.052 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 46 ASN H 1 46 ASN QD 2.900 . 4.000 2.804 1.974 4.003 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 46 ASN H 1 47 GLY H 2.900 . 4.000 2.308 1.790 2.942 0.010 10 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 46 ASN H 1 48 LEU H 3.400 . 5.000 3.975 2.934 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 46 ASN HA 1 46 ASN QB 2.300 . 2.800 2.262 2.154 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 46 ASN HA 1 46 ASN QD 3.400 . 5.000 3.727 2.189 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 46 ASN HA 1 47 GLY H 2.900 . 4.000 3.288 3.022 3.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 46 ASN HA 1 49 VAL HB 3.400 . 5.000 3.174 2.391 4.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 46 ASN HA 1 49 VAL QG 2.900 . 4.000 3.267 2.295 4.079 0.079 29 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 46 ASN HA 1 49 VAL QG 3.400 . 5.000 3.255 2.294 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 46 ASN HA 1 50 LEU H 3.400 . 5.000 3.579 2.318 4.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 46 ASN QB 1 46 ASN QD 2.900 . 4.000 2.376 2.196 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 46 ASN QB 1 47 GLY H 2.900 . 4.000 3.510 2.683 3.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 46 ASN QB 1 50 LEU QD 3.400 . 5.000 3.533 2.212 5.019 0.019 29 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 47 GLY H 1 48 LEU H 2.900 . 4.000 2.196 1.792 2.497 0.008 5 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 47 GLY H 1 48 LEU HA 3.400 . 5.000 4.884 4.526 5.081 0.081 29 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 47 GLY H 1 48 LEU QB 3.400 . 5.000 4.697 4.230 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 47 GLY H 1 49 VAL QG 3.400 . 5.000 4.015 3.239 5.009 0.009 29 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 47 GLY H 1 50 LEU QD 3.900 . 6.000 5.366 4.109 6.004 0.004 36 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 47 GLY QA 1 48 LEU H 2.900 . 4.000 2.825 2.510 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 47 GLY QA 1 48 LEU QD 3.400 . 5.000 2.712 2.261 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 47 GLY QA 1 51 TRP QB 3.400 . 5.000 2.747 2.153 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 47 GLY QA 1 51 TRP HE1 3.900 . 6.000 5.695 4.587 6.032 0.032 29 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 48 LEU H 1 48 LEU HA 2.900 . 4.000 2.932 2.757 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 48 LEU H 1 48 LEU QB 2.900 . 4.000 3.013 2.685 3.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 48 LEU H 1 48 LEU QD 3.400 . 4.000 2.427 1.788 2.990 0.012 24 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 48 LEU H 1 48 LEU HG . . 2.800 1.977 1.768 2.338 0.032 24 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 48 LEU H 1 52 THR HA 3.400 . 5.000 3.342 2.890 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 48 LEU H 1 49 VAL HB 3.400 . 5.000 4.258 3.698 5.021 0.021 24 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 48 LEU HA 1 48 LEU QB . . 2.800 2.189 2.158 2.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 48 LEU HA 1 48 LEU QD 2.900 . 4.000 2.767 2.186 3.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 48 LEU HA 1 48 LEU HG 2.900 . 4.000 3.540 3.413 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 48 LEU HA 1 49 VAL H 2.900 . 4.000 3.049 2.633 3.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 48 LEU HA 1 49 VAL QG 3.400 . 5.000 4.248 3.889 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 48 LEU HA 1 50 LEU H 3.400 . 5.000 4.793 3.820 5.017 0.017 14 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 48 LEU HA 1 51 TRP QB 3.400 . 5.000 3.953 2.292 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 48 LEU QB 1 48 LEU QD 2.300 . 2.800 1.900 1.852 1.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 48 LEU QB 1 49 VAL HA 3.400 . 5.000 4.305 3.692 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 48 LEU QD 1 49 VAL H 3.400 . 5.000 3.884 1.817 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 48 LEU QD 1 52 THR H 3.400 . 5.000 4.511 4.239 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 48 LEU QD 1 51 TRP HE1 3.900 . 6.000 5.716 3.660 6.007 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 48 LEU HG 1 49 VAL QG 2.900 . 4.000 3.227 2.173 4.011 0.011 37 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 49 VAL H 1 49 VAL HA 2.900 . 4.000 2.894 2.293 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 49 VAL H 1 49 VAL HB 2.900 . 4.000 2.770 2.391 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 49 VAL H 1 49 VAL QG 2.900 . 4.000 2.679 1.838 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 49 VAL H 1 50 LEU H 2.900 . 4.000 2.283 1.795 4.020 0.020 39 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 49 VAL H 1 50 LEU HA 2.900 . 4.000 3.600 2.966 4.068 0.068 36 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 49 VAL H 1 51 TRP H 2.900 . 4.000 3.290 2.492 4.081 0.081 29 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 49 VAL H 1 52 THR HB 3.400 . 5.000 3.702 3.207 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 49 VAL H 1 53 VAL HA 2.900 . 4.000 2.853 2.750 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 49 VAL HA 1 49 VAL HB 2.900 . 4.000 3.013 2.672 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 49 VAL HA 1 49 VAL QG 2.900 . 4.000 2.066 2.025 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 49 VAL HA 1 50 LEU H 3.400 . 4.000 3.549 3.222 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 49 VAL HA 1 52 THR H 3.400 . 5.000 4.492 3.913 5.001 0.001 32 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 49 VAL HA 1 52 THR MG 2.900 . 4.000 2.976 2.164 4.003 0.003 11 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 49 VAL HB 1 50 LEU H 2.900 . 4.000 2.404 1.787 3.650 0.013 39 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 49 VAL HB 1 50 LEU QB 2.900 . 4.000 3.800 3.464 4.111 0.111 39 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 49 VAL QG 1 50 LEU H 3.400 . 4.000 3.001 1.881 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 49 VAL QG 1 50 LEU HA 2.900 . 4.000 3.593 3.048 4.018 0.018 36 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 49 VAL QG 1 50 LEU QB 2.900 . 4.000 3.452 2.694 4.013 0.013 15 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 49 VAL QG 1 52 THR H 3.400 . 5.000 4.778 4.344 5.019 0.019 38 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 49 VAL QG 1 52 THR HB 3.400 . 5.000 4.885 4.572 5.031 0.031 36 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 49 VAL QG 1 52 THR MG 2.900 . 4.000 3.569 3.177 4.011 0.011 14 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 50 LEU H 1 50 LEU QB 3.400 . 4.000 2.540 2.216 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 50 LEU H 1 50 LEU QD 3.900 . 4.000 3.166 2.244 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 50 LEU H 1 50 LEU HG 3.400 . 5.000 3.141 1.815 4.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 50 LEU H 1 51 TRP H 2.900 . 4.000 2.369 2.014 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 50 LEU H 1 51 TRP QB 3.400 . 5.000 4.005 3.765 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 50 LEU H 1 52 THR H 3.900 . 6.000 3.618 2.624 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 50 LEU H 1 53 VAL HA 3.400 . 5.000 3.954 3.169 4.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 50 LEU H 1 53 VAL HB 3.900 . 6.000 5.431 5.009 6.010 0.010 21 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 50 LEU H 1 53 VAL QG 3.900 . 6.000 4.128 3.567 4.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 50 LEU HA 1 50 LEU QD 2.900 . 4.000 2.993 1.962 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 50 LEU HA 1 50 LEU HG 2.900 . 4.000 3.070 2.348 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 50 LEU HA 1 51 TRP H 2.900 . 4.000 3.500 3.182 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 50 LEU HA 1 53 VAL QG 3.400 . 5.000 2.559 2.172 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 50 LEU QB 1 51 TRP H 3.400 . 4.000 2.910 1.800 3.934 0.000 19 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 50 LEU QB 1 52 THR H 3.900 . 6.000 4.313 3.827 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 50 LEU QB 1 52 THR MG 3.400 . 5.000 4.678 4.208 5.006 0.006 15 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 50 LEU QB 1 53 VAL HA 3.400 . 5.000 3.933 2.330 5.027 0.027 36 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 50 LEU QB 1 53 VAL QG 2.900 . 4.000 3.864 2.830 4.010 0.010 4 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 50 LEU QB 1 53 VAL QG 2.900 . 4.000 3.435 2.803 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 50 LEU QD 1 51 TRP QB 3.900 . 6.000 3.475 2.476 5.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 50 LEU QD 1 54 PHE QB 3.400 . 5.000 4.435 1.997 5.009 0.009 3 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 50 LEU QD 1 54 PHE QD 3.900 . 6.000 4.487 2.539 5.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 50 LEU HG 1 51 TRP H 2.900 . 4.000 2.959 1.804 4.160 0.160 39 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 51 TRP H 1 51 TRP HA 2.900 . 4.000 2.817 2.712 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 51 TRP H 1 51 TRP QB 3.400 . 4.000 2.146 2.045 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 51 TRP H 1 51 TRP HD1 3.900 . 6.000 4.200 2.918 5.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 51 TRP H 1 51 TRP HD1 3.900 . 6.000 3.470 2.041 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 51 TRP H 1 51 TRP HE3 3.900 . 6.000 5.134 3.031 5.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 51 TRP HA 1 52 THR H 2.900 . 4.000 3.411 3.105 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 51 TRP HA 1 53 VAL QG 3.900 . 6.000 4.691 4.127 5.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 51 TRP HA 1 54 PHE H 2.900 . 4.000 3.672 3.018 4.013 0.013 11 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 51 TRP QB 1 51 TRP HD1 3.400 . 5.000 2.606 2.457 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 51 TRP QB 1 52 THR H 2.900 . 4.000 3.194 2.587 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 51 TRP HD1 1 52 THR H 3.900 . 6.000 3.971 2.064 5.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 51 TRP HE1 1 55 ARG QB 3.900 . 6.000 3.930 2.504 5.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 51 TRP HE1 1 55 ARG QD 3.400 . 4.000 3.085 1.799 4.058 0.058 22 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 51 TRP HE1 1 55 ARG HE 3.900 . 6.000 5.079 2.950 6.006 0.006 11 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 51 TRP HE1 1 55 ARG QH 3.400 . 5.000 3.920 2.168 5.019 0.019 15 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 51 TRP HE3 1 52 THR H 3.900 . 6.000 5.636 2.397 6.015 0.015 17 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 51 TRP HH2 1 53 VAL H 3.400 . 5.000 4.710 3.565 5.033 0.033 20 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 51 TRP HH2 1 53 VAL QG 3.400 . 5.000 3.498 2.327 5.007 0.007 5 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 51 TRP HZ2 1 55 ARG QD 3.400 . 5.000 3.143 2.213 5.001 0.001 32 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 51 TRP HZ2 1 55 ARG HE 3.400 . 5.000 4.350 2.331 5.035 0.035 36 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 52 THR H 1 52 THR HA 2.900 . 4.000 2.867 2.733 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 52 THR H 1 52 THR HB 2.900 . 4.000 2.534 2.307 3.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 52 THR H 1 52 THR MG 2.900 . 4.000 2.174 1.797 2.447 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 52 THR H 1 53 VAL H 2.900 . 4.000 2.549 1.980 3.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 52 THR HA 1 52 THR HB 2.900 . 4.000 2.534 2.387 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 52 THR HA 1 52 THR MG 2.900 . 4.000 3.178 3.155 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 52 THR HA 1 55 ARG QB 2.900 . 4.000 2.669 2.158 4.012 0.012 36 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 52 THR HB 1 53 VAL H 3.400 . 5.000 4.081 3.754 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 52 THR HB 1 56 LYS H 3.900 . 6.000 5.811 4.939 6.063 0.063 29 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 52 THR MG 1 53 VAL H 2.900 . 4.000 2.387 1.782 3.594 0.018 20 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 52 THR MG 1 53 VAL HA 3.400 . 5.000 3.305 2.920 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 52 THR MG 1 53 VAL HB 3.900 . 6.000 4.073 3.450 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 52 THR MG 1 53 VAL QG 2.900 . 4.000 2.247 1.959 2.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 52 THR MG 1 56 LYS H 2.900 . 4.000 3.463 2.180 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 52 THR MG 1 56 LYS QE 3.400 . 5.000 3.690 2.242 5.005 0.005 28 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 53 VAL H 1 53 VAL HA 2.900 . 4.000 2.854 2.750 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 53 VAL H 1 53 VAL HB 2.900 . 4.000 2.608 2.332 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 53 VAL H 1 53 VAL QG 2.900 . 4.000 2.247 1.799 3.047 0.001 4 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 53 VAL H 1 54 PHE QB 3.400 . 5.000 4.370 3.633 4.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 53 VAL H 1 56 LYS QE 3.400 . 5.000 4.925 3.946 5.045 0.045 22 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 53 VAL HA 1 53 VAL HB 2.900 . 4.000 3.023 2.998 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 53 VAL HA 1 53 VAL QG 2.900 . 4.000 2.068 2.026 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 53 VAL HA 1 54 PHE H 3.400 . 4.000 3.520 3.219 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 53 VAL HA 1 57 LYS H 3.400 . 5.000 4.704 3.576 5.015 0.015 17 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 53 VAL HB 1 54 PHE H 2.900 . 4.000 2.596 1.876 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 53 VAL HB 1 54 PHE QB 2.900 . 4.000 3.918 3.626 4.010 0.010 25 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 53 VAL QG 1 54 PHE H 2.900 . 4.000 3.183 2.692 3.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 53 VAL QG 1 54 PHE HA 3.400 . 5.000 3.610 3.090 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 53 VAL QG 1 54 PHE QB 3.400 . 5.000 4.014 3.366 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 53 VAL QG 1 54 PHE QD 3.900 . 6.000 3.506 2.327 5.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 53 VAL QG 1 56 LYS QB 3.400 . 5.000 4.010 3.038 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 53 VAL QG 1 56 LYS QE 3.900 . 6.000 3.543 2.211 5.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 53 VAL QG 1 57 LYS QE 3.400 . 5.000 3.368 2.022 5.000 0.000 11 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 53 VAL QG 1 57 LYS QG 2.900 . 4.000 3.565 2.094 4.003 0.003 11 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 54 PHE H 1 54 PHE HA 2.900 . 4.000 2.900 2.721 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 54 PHE H 1 54 PHE QB 2.900 . 4.000 2.231 2.047 2.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 54 PHE H 1 54 PHE QD 3.400 . 5.000 3.023 2.081 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 54 PHE HA 1 54 PHE QD 3.900 . 5.000 2.926 2.444 3.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 54 PHE HA 1 55 ARG H 2.900 . 4.000 3.140 2.549 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 54 PHE HA 1 57 LYS H 3.400 . 5.000 4.143 3.700 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 54 PHE QB 1 55 ARG H 2.900 . 4.000 3.566 3.041 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 54 PHE QB 1 55 ARG HA 3.400 . 5.000 4.330 3.950 4.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 54 PHE QD 1 55 ARG H 3.400 . 5.000 4.508 2.467 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 55 ARG H 1 55 ARG QB 2.900 . 4.000 2.504 2.283 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 55 ARG H 1 55 ARG QD 3.400 . 5.000 4.584 3.959 5.014 0.014 15 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 55 ARG H 1 55 ARG QG 3.400 . 5.000 4.033 2.219 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 55 ARG H 1 56 LYS H 2.900 . 4.000 2.203 1.797 2.655 0.003 36 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 55 ARG HA 1 55 ARG QD 3.400 . 4.000 3.236 2.313 4.157 0.157 36 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 55 ARG HA 1 55 ARG HE 3.400 . 5.000 3.670 1.814 5.065 0.065 38 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 55 ARG HA 1 55 ARG QG 2.900 . 4.000 2.421 2.265 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 55 ARG HA 1 56 LYS H 3.400 . 4.000 3.551 3.434 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 55 ARG QB 1 55 ARG QD 2.900 . 4.000 2.171 2.095 2.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 55 ARG QB 1 55 ARG HE 3.400 . 4.000 3.483 2.302 4.099 0.099 22 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 55 ARG QB 1 55 ARG QH 3.400 . 5.000 3.606 1.780 3.975 0.020 17 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 55 ARG QB 1 56 LYS H 3.400 . 5.000 2.412 1.872 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 55 ARG QB 1 56 LYS HA 3.400 . 5.000 4.036 3.833 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 55 ARG QD 1 55 ARG QH 2.900 . 4.000 1.824 1.747 1.929 0.053 29 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 55 ARG HE 1 55 ARG QG 2.900 . 4.000 2.508 2.119 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 55 ARG HE 1 55 ARG QH 2.900 . 4.000 2.206 2.194 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 55 ARG HE 1 59 HIS HA 2.900 . 4.000 3.322 1.885 4.007 0.007 15 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 55 ARG QG 1 55 ARG QH 3.400 . 5.000 3.017 2.031 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 55 ARG QG 1 56 LYS HA 2.900 . 4.000 3.832 3.332 4.050 0.050 22 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 55 ARG QH 1 59 HIS HA 2.900 . 4.000 3.532 1.904 4.005 0.005 17 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 56 LYS H 1 56 LYS HA 2.900 . 4.000 2.806 2.739 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 56 LYS H 1 56 LYS QB . . 2.800 2.488 2.157 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 56 LYS H 1 56 LYS QD 2.900 . 4.000 3.668 2.005 4.038 0.038 20 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 56 LYS H 1 56 LYS QE 3.400 . 5.000 4.095 2.950 4.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 56 LYS H 1 56 LYS QG . . 2.800 2.191 1.787 2.801 0.013 22 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 56 LYS H 1 57 LYS H 2.900 . 4.000 2.672 2.081 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 56 LYS H 1 57 LYS QG 2.900 . 4.000 3.863 3.273 4.015 0.015 15 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 56 LYS H 1 58 GLY H 3.400 . 5.000 4.197 3.405 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 56 LYS HA 1 56 LYS QD 2.900 . 4.000 3.671 2.172 4.045 0.045 6 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 56 LYS HA 1 56 LYS QE 3.900 . 6.000 4.777 3.900 5.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 56 LYS HA 1 56 LYS QG 2.900 . 4.000 2.858 2.184 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 56 LYS HA 1 57 LYS H 2.900 . 4.000 3.467 3.327 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 56 LYS HA 1 58 GLY H 2.900 . 4.000 3.742 3.243 4.013 0.013 15 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 56 LYS QB 1 56 LYS QD 2.900 . 4.000 2.167 2.089 2.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 56 LYS QD 1 56 LYS QG 2.300 . 2.800 2.085 2.008 2.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 56 LYS QD 1 58 GLY H 3.400 . 5.000 4.558 3.543 5.008 0.008 18 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 57 LYS H 1 57 LYS HA 2.900 . 4.000 2.833 2.754 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 57 LYS H 1 57 LYS QB . . 2.800 2.594 2.469 2.809 0.009 11 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 57 LYS H 1 57 LYS QD 3.400 . 4.000 3.702 2.522 4.013 0.013 6 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 57 LYS H 1 57 LYS QE 3.400 . 5.000 4.253 2.551 4.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 57 LYS H 1 57 LYS QG 3.400 . 4.000 1.992 1.799 2.188 0.001 25 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 57 LYS H 1 58 GLY H . . 2.800 2.604 2.143 2.803 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 57 LYS H 1 58 GLY QA 3.400 . 5.000 4.547 4.126 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 57 LYS HA 1 57 LYS QB 2.300 . 2.800 2.303 2.191 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 57 LYS HA 1 57 LYS QD 2.900 . 4.000 3.151 2.127 4.021 0.021 6 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 57 LYS HA 1 57 LYS QE 3.400 . 5.000 4.099 2.324 4.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 57 LYS HA 1 57 LYS QG 2.900 . 4.000 2.706 2.302 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 57 LYS HA 1 58 GLY H 2.900 . 4.000 3.424 3.140 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 57 LYS QB 1 57 LYS QD 2.900 . 4.000 2.214 2.097 2.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 57 LYS QB 1 57 LYS QE 3.400 . 5.000 3.070 2.084 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 57 LYS QB 1 58 GLY H 2.900 . 4.000 3.049 2.598 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 57 LYS QD 1 57 LYS QG 2.300 . 2.800 2.078 2.018 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 57 LYS QE 1 57 LYS QG 2.900 . 4.000 2.196 2.101 2.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 57 LYS QG 1 58 GLY H 3.400 . 4.000 3.810 2.416 4.036 0.036 15 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 58 GLY H 1 58 GLY QA . . 2.800 2.457 2.294 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 58 GLY H 1 59 HIS HA 3.400 . 5.000 4.298 3.906 5.016 0.016 18 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 58 GLY H 1 59 HIS QB 3.400 . 5.000 4.558 3.444 5.026 0.026 17 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 58 GLY H 1 60 HIS H 3.400 . 5.000 4.709 2.788 5.011 0.011 36 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 58 GLY QA 1 59 HIS H 2.300 . 2.800 2.357 2.131 2.866 0.066 36 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 58 GLY QA 1 59 HIS QB 3.400 . 4.000 3.902 3.535 4.067 0.067 36 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 58 GLY QA 1 60 HIS H 3.400 . 5.000 3.390 2.811 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 58 GLY QA 1 61 HIS H 3.400 . 5.000 3.645 2.339 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 58 GLY QA 1 62 HIS H 3.400 . 5.000 4.248 3.133 5.001 0.001 29 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 59 HIS H 1 59 HIS HA 2.300 . 2.800 2.574 2.295 2.840 0.040 18 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 59 HIS H 1 59 HIS QB 2.900 . 4.000 2.587 2.042 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 59 HIS H 1 59 HIS HD2 2.900 . 4.000 3.501 2.033 4.013 0.013 34 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 59 HIS H 1 60 HIS H 2.900 . 4.000 3.022 1.989 4.014 0.014 10 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 59 HIS HA 1 59 HIS QB . . 2.800 2.376 2.157 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 59 HIS QB 1 59 HIS HD2 2.900 . 4.000 2.931 2.698 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 60 HIS H 1 60 HIS HA 2.900 . 4.000 2.819 2.310 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 60 HIS H 1 60 HIS QB . . 2.800 2.579 2.113 2.845 0.045 11 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 60 HIS H 1 60 HIS HD2 2.900 . 4.000 3.525 2.099 4.022 0.022 33 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 60 HIS H 1 61 HIS H 2.900 . 4.000 2.566 1.790 3.797 0.010 29 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 60 HIS HA 1 60 HIS QB 2.300 . 2.800 2.311 2.159 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 60 HIS HA 1 60 HIS HD2 3.400 . 5.000 3.977 2.347 4.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 60 HIS QB 1 60 HIS HD2 2.900 . 4.000 2.885 2.683 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 61 HIS H 1 61 HIS HA 2.900 . 4.000 2.615 2.296 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 61 HIS H 1 61 HIS QB 2.900 . 4.000 2.998 2.287 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 61 HIS H 1 61 HIS HD2 3.400 . 5.000 4.397 2.033 5.057 0.057 33 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 61 HIS H 1 62 HIS H 2.900 . 4.000 3.514 2.426 4.115 0.115 20 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 61 HIS HA 1 61 HIS QB 2.300 . 2.800 2.379 2.158 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 61 HIS HA 1 62 HIS H 2.300 . 2.800 2.354 2.147 2.929 0.129 18 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 61 HIS QB 1 61 HIS HD2 2.900 . 4.000 2.943 2.685 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 62 HIS H 1 62 HIS QB 2.300 . 2.800 2.502 2.113 2.867 0.067 34 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 62 HIS H 1 62 HIS HD2 3.400 . 5.000 4.470 2.009 5.009 0.009 6 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 62 HIS H 1 63 HIS H 2.900 . 4.000 3.343 2.198 4.043 0.043 34 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 62 HIS QB 1 63 HIS H 2.900 . 4.000 3.173 1.801 4.024 0.024 5 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 63 HIS H 1 63 HIS HA 2.900 . 4.000 2.789 2.307 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 63 HIS H 1 63 HIS QB . . 2.800 2.637 2.164 2.838 0.038 35 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 63 HIS H 1 63 HIS HD2 3.400 . 5.000 4.464 2.058 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 63 HIS H 1 64 HIS H 2.900 . 4.000 3.678 2.909 4.066 0.066 40 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 63 HIS HA 1 63 HIS HD2 3.400 . 5.000 3.187 2.349 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 63 HIS HA 1 64 HIS H 2.300 . 2.800 2.565 2.147 2.952 0.152 18 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 63 HIS QB 1 63 HIS HD2 3.400 . 5.000 3.005 2.682 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 64 HIS H 1 64 HIS HA 2.900 . 4.000 2.809 2.310 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 64 HIS H 1 64 HIS QB . . 2.800 2.406 2.054 2.803 0.003 6 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 64 HIS H 1 64 HIS HD2 3.400 . 5.000 4.193 1.963 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 64 HIS QB 1 64 HIS HD2 2.900 . 4.000 2.925 2.681 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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