NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555563 |
2lot   |
18224 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lot
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 728
_Distance_constraint_stats_list.Viol_count 1690
_Distance_constraint_stats_list.Viol_total 1155.638
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0171
_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 0.004 0.004 37 0 "[ . 1 . 2 . 3 . 4]"
1 2 GLU 0.725 0.136 40 0 "[ . 1 . 2 . 3 . 4]"
1 3 GLU 0.878 0.136 40 0 "[ . 1 . 2 . 3 . 4]"
1 4 GLY 0.360 0.081 19 0 "[ . 1 . 2 . 3 . 4]"
1 5 GLY 0.377 0.081 19 0 "[ . 1 . 2 . 3 . 4]"
1 6 ASP 0.073 0.030 24 0 "[ . 1 . 2 . 3 . 4]"
1 7 PHE 0.070 0.038 19 0 "[ . 1 . 2 . 3 . 4]"
1 8 ASP 1.128 0.113 19 0 "[ . 1 . 2 . 3 . 4]"
1 9 ASN 1.727 0.096 19 0 "[ . 1 . 2 . 3 . 4]"
1 10 TYR 1.218 0.070 39 0 "[ . 1 . 2 . 3 . 4]"
1 11 TYR 0.333 0.100 36 0 "[ . 1 . 2 . 3 . 4]"
1 12 GLY 0.070 0.060 37 0 "[ . 1 . 2 . 3 . 4]"
1 13 ALA 0.014 0.004 38 0 "[ . 1 . 2 . 3 . 4]"
1 14 ASP 0.034 0.015 38 0 "[ . 1 . 2 . 3 . 4]"
1 15 ASN 0.581 0.093 32 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.924 0.093 32 0 "[ . 1 . 2 . 3 . 4]"
1 17 SER 0.448 0.061 32 0 "[ . 1 . 2 . 3 . 4]"
1 18 GLU 0.288 0.049 10 0 "[ . 1 . 2 . 3 . 4]"
1 19 CYS 0.396 0.202 7 0 "[ . 1 . 2 . 3 . 4]"
1 20 GLU 0.499 0.202 7 0 "[ . 1 . 2 . 3 . 4]"
1 21 TYR 1.106 0.161 19 0 "[ . 1 . 2 . 3 . 4]"
1 22 THR 0.500 0.076 31 0 "[ . 1 . 2 . 3 . 4]"
1 23 ASP 0.701 0.202 7 0 "[ . 1 . 2 . 3 . 4]"
1 24 TRP 0.869 0.072 15 0 "[ . 1 . 2 . 3 . 4]"
1 25 LYS 2.017 0.180 38 0 "[ . 1 . 2 . 3 . 4]"
1 26 SER 0.866 0.060 40 0 "[ . 1 . 2 . 3 . 4]"
1 27 SER 0.458 0.063 37 0 "[ . 1 . 2 . 3 . 4]"
1 28 GLY 0.220 0.050 39 0 "[ . 1 . 2 . 3 . 4]"
1 29 ALA 1.212 0.091 19 0 "[ . 1 . 2 . 3 . 4]"
1 30 LEU 0.909 0.091 19 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 1.335 0.070 29 0 "[ . 1 . 2 . 3 . 4]"
1 32 PRO 0.954 0.049 33 0 "[ . 1 . 2 . 3 . 4]"
1 33 ALA 1.154 0.079 32 0 "[ . 1 . 2 . 3 . 4]"
1 34 ILE 0.779 0.048 39 0 "[ . 1 . 2 . 3 . 4]"
1 35 TYR 1.217 0.083 5 0 "[ . 1 . 2 . 3 . 4]"
1 36 MET 1.983 0.083 5 0 "[ . 1 . 2 . 3 . 4]"
1 37 LEU 1.350 0.070 29 0 "[ . 1 . 2 . 3 . 4]"
1 38 VAL 0.798 0.057 4 0 "[ . 1 . 2 . 3 . 4]"
1 39 PHE 0.637 0.069 8 0 "[ . 1 . 2 . 3 . 4]"
1 40 LEU 1.852 0.096 35 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.780 0.047 24 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.244 0.054 30 0 "[ . 1 . 2 . 3 . 4]"
1 43 THR 1.366 0.096 35 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 1.131 0.119 22 0 "[ . 1 . 2 . 3 . 4]"
1 45 GLY 1.256 0.119 22 0 "[ . 1 . 2 . 3 . 4]"
1 46 ASN 1.361 0.106 6 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLY 0.363 0.104 6 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.812 0.159 12 0 "[ . 1 . 2 . 3 . 4]"
1 49 VAL 0.717 0.084 12 0 "[ . 1 . 2 . 3 . 4]"
1 50 LEU 1.050 0.069 40 0 "[ . 1 . 2 . 3 . 4]"
1 51 TRP 0.642 0.065 6 0 "[ . 1 . 2 . 3 . 4]"
1 52 THR 0.542 0.096 14 0 "[ . 1 . 2 . 3 . 4]"
1 53 VAL 0.719 0.050 25 0 "[ . 1 . 2 . 3 . 4]"
1 54 PHE 0.636 0.096 14 0 "[ . 1 . 2 . 3 . 4]"
1 55 ARG 2.039 0.147 31 0 "[ . 1 . 2 . 3 . 4]"
1 56 LYS 0.826 0.095 14 0 "[ . 1 . 2 . 3 . 4]"
1 57 LYS 1.313 0.095 14 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLY 0.666 0.046 28 0 "[ . 1 . 2 . 3 . 4]"
1 59 HIS 0.836 0.155 39 0 "[ . 1 . 2 . 3 . 4]"
1 60 HIS 1.713 0.155 39 0 "[ . 1 . 2 . 3 . 4]"
1 61 HIS 0.159 0.125 40 0 "[ . 1 . 2 . 3 . 4]"
1 62 HIS 0.507 0.087 15 0 "[ . 1 . 2 . 3 . 4]"
1 63 HIS 0.740 0.080 25 0 "[ . 1 . 2 . 3 . 4]"
1 64 HIS 0.144 0.038 1 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 2.486 2.156 3.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 MET HA 1 2 GLU H 3.400 . 4.000 2.656 2.158 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 MET HA 1 2 GLU QG 2.900 . 4.000 3.673 3.034 4.004 0.004 37 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 GLU H 1 2 GLU QB 3.400 . 5.000 3.059 2.329 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 GLU H 1 2 GLU QG 3.400 . 5.000 2.482 1.819 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 GLU H 1 3 GLU H 2.900 . 4.000 3.575 2.844 4.110 0.110 36 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 2 GLU H 1 3 GLU QB 3.400 . 5.000 4.537 3.612 5.136 0.136 40 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 GLU HA 1 2 GLU QG 2.900 . 4.000 2.797 2.258 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 GLU HA 1 3 GLU H . . 2.800 2.393 2.147 2.919 0.119 33 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 GLU QB 1 2 GLU QG 2.300 . 2.800 2.076 2.003 2.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 GLU QB 1 4 GLY H 2.900 . 4.000 3.436 1.808 3.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 GLU QG 1 4 GLY H 3.400 . 5.000 3.883 1.920 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 3 GLU H 1 3 GLU HA 2.900 . 4.000 2.831 2.296 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 3 GLU H 1 3 GLU QB 2.900 . 4.000 2.669 2.273 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 3 GLU H 1 3 GLU QG 2.900 . 4.000 3.487 2.238 4.042 0.042 40 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 3 GLU H 1 5 GLY H 2.900 . 4.000 3.887 3.344 4.033 0.033 19 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 3 GLU HA 1 3 GLU QB 2.300 . 2.800 2.407 2.275 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 3 GLU HA 1 3 GLU QG 2.300 . 2.800 2.356 2.146 2.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 3 GLU HA 1 4 GLY H 2.300 . 2.800 2.491 2.154 2.830 0.030 19 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 3 GLU QB 1 3 GLU QG 2.300 . 2.800 2.076 2.017 2.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 3 GLU QB 1 4 GLY H 3.400 . 5.000 3.754 1.809 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 4 GLY H 1 4 GLY QA 2.300 . 2.800 2.416 2.303 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 4 GLY H 1 5 GLY H 2.900 . 4.000 2.389 1.824 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 4 GLY H 1 5 GLY QA 2.900 . 4.000 3.880 3.584 4.076 0.076 19 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 4 GLY QA 1 5 GLY H 2.300 . 2.800 2.702 2.425 2.881 0.081 19 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 5 GLY H 1 5 GLY QA 2.300 . 2.800 2.243 2.192 2.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 5 GLY QA 1 6 ASP H 2.300 . 2.800 2.257 2.120 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 5 GLY QA 1 6 ASP QB 2.900 . 4.000 3.838 3.600 4.012 0.012 24 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 6 ASP H 1 6 ASP HA 2.900 . 4.000 2.766 2.304 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 6 ASP H 1 6 ASP QB 2.300 . 2.800 2.651 2.116 2.830 0.030 24 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 6 ASP HA 1 6 ASP QB 2.300 . 2.800 2.402 2.155 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 6 ASP HA 1 7 PHE H 2.300 . 2.800 2.335 2.147 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 7 PHE H 1 7 PHE HA 2.900 . 4.000 2.813 2.309 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 7 PHE H 1 7 PHE QB . . 2.800 2.601 2.146 2.808 0.008 19 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 7 PHE H 1 7 PHE QD 3.400 . 5.000 3.398 1.806 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 7 PHE HA 1 7 PHE QD 3.400 . 5.000 2.773 2.343 3.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 7 PHE HA 1 8 ASP H 2.300 . 2.800 2.416 2.146 2.838 0.038 19 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 7 PHE QB 1 7 PHE QD 2.900 . 4.000 2.154 2.148 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 7 PHE QD 1 8 ASP H 3.900 . 6.000 3.565 1.815 4.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 8 ASP H 1 8 ASP HA 2.900 . 4.000 2.797 2.291 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 8 ASP H 1 8 ASP QB 2.300 . 2.800 2.764 2.582 2.913 0.113 19 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 8 ASP H 1 9 ASN H 2.300 . 2.800 2.684 2.300 2.853 0.053 22 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 8 ASP HA 1 8 ASP QB 2.300 . 2.800 2.402 2.182 2.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 8 ASP HA 1 9 ASN H . . 2.800 2.718 2.586 2.854 0.054 27 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 8 ASP QB 1 9 ASN H 2.900 . 4.000 3.942 3.835 4.045 0.045 38 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 9 ASN H 1 9 ASN HA 2.900 . 4.000 2.794 2.293 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 9 ASN H 1 9 ASN QB . . 2.800 2.735 2.470 2.896 0.096 19 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 9 ASN H 1 10 TYR H 2.300 . 2.800 2.672 2.333 2.844 0.044 13 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 9 ASN HA 1 9 ASN QB . . 2.800 2.411 2.180 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 9 ASN HA 1 10 TYR H . . 2.800 2.767 2.598 2.850 0.050 37 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 9 ASN QB 1 9 ASN QD 2.900 . 4.000 2.302 2.177 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 9 ASN QB 1 10 TYR H 2.900 . 4.000 3.918 3.863 4.034 0.034 13 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 10 TYR H 1 10 TYR HA 2.300 . 2.800 2.759 2.310 2.870 0.070 39 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 10 TYR H 1 10 TYR QB 2.300 . 2.800 2.353 2.046 2.810 0.010 38 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 10 TYR H 1 10 TYR QD 3.400 . 4.000 3.166 1.815 4.029 0.029 19 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 10 TYR HA 1 10 TYR QB . . 2.800 2.428 2.200 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 10 TYR HA 1 10 TYR QD 2.900 . 4.000 2.759 2.430 3.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 10 TYR HA 1 10 TYR QE 3.400 . 5.000 4.452 4.186 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 11 TYR H 1 11 TYR HA 2.300 . 2.800 2.778 2.311 2.900 0.100 36 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 11 TYR H 1 11 TYR QB 2.300 . 2.800 2.373 2.083 2.807 0.007 37 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 11 TYR H 1 11 TYR QD 2.900 . 4.000 2.439 1.818 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 11 TYR H 1 11 TYR QE 3.400 . 5.000 4.419 3.703 5.041 0.041 37 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 11 TYR HA 1 11 TYR QD 2.900 . 4.000 3.239 2.421 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 11 TYR HA 1 12 GLY H 2.300 . 2.800 2.422 2.147 2.860 0.060 37 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 11 TYR QB 1 11 TYR QD 2.900 . 4.000 2.157 2.149 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 11 TYR QB 1 12 GLY H 2.900 . 4.000 2.667 1.822 3.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 11 TYR QB 1 13 ALA MB 3.900 . 6.000 5.120 3.356 5.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 11 TYR QD 1 12 GLY H 3.900 . 6.000 3.318 2.103 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 11 TYR QD 1 13 ALA MB 3.900 . 6.000 5.086 3.027 6.001 0.001 26 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 11 TYR QE 1 13 ALA MB 3.900 . 6.000 4.702 1.844 5.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 12 GLY H 1 12 GLY QA 2.300 . 2.800 2.403 2.203 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 12 GLY H 1 13 ALA H 2.900 . 4.000 3.208 1.839 4.001 0.001 20 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 12 GLY QA 1 13 ALA H 2.300 . 2.800 2.344 2.120 2.802 0.002 22 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 12 GLY QA 1 13 ALA HA 3.400 . 5.000 4.058 3.947 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 12 GLY QA 1 13 ALA MB 3.400 . 5.000 3.869 3.487 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 12 GLY QA 1 14 ASP H 2.900 . 4.000 3.806 3.300 4.004 0.004 38 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 13 ALA H 1 13 ALA HA 2.900 . 4.000 2.787 2.297 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 13 ALA H 1 13 ALA MB 2.900 . 4.000 2.515 2.125 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 13 ALA H 1 14 ASP H 2.900 . 4.000 3.167 2.181 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 13 ALA HA 1 14 ASP H 2.300 . 2.800 2.582 2.372 2.801 0.001 8 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 13 ALA HA 1 15 ASN QB 3.400 . 5.000 4.414 4.007 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 13 ALA MB 1 14 ASP H 3.400 . 4.000 3.713 3.673 3.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 13 ALA MB 1 15 ASN QB 3.900 . 6.000 4.495 2.647 5.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 13 ALA MB 1 16 GLN QB 3.900 . 5.000 4.715 3.766 5.004 0.004 38 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 13 ALA MB 1 16 GLN QG 3.900 . 6.000 5.257 3.861 5.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 14 ASP H 1 14 ASP HA 2.900 . 4.000 2.893 2.315 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 14 ASP H 1 14 ASP QB 2.900 . 4.000 2.697 2.222 3.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 14 ASP HA 1 14 ASP QB 2.300 . 2.800 2.267 2.165 2.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 14 ASP HA 1 15 ASN H 2.300 . 2.800 2.617 2.265 2.815 0.015 38 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 14 ASP HA 1 16 GLN QE 3.400 . 5.000 2.924 1.840 5.000 0.000 10 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 15 ASN H 1 15 ASN QB . . 2.800 2.692 2.320 2.802 0.002 18 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 15 ASN H 1 16 GLN H 2.300 . 2.800 2.289 1.788 2.876 0.076 32 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 15 ASN HA 1 15 ASN QB 2.300 . 2.800 2.401 2.157 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 15 ASN HA 1 15 ASN QD 3.400 . 5.000 3.383 1.865 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 15 ASN HA 1 16 GLN H 2.900 . 4.000 3.206 2.651 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 15 ASN HA 1 17 SER H 2.900 . 4.000 3.642 2.879 4.015 0.015 18 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 15 ASN QB 1 15 ASN QD 2.900 . 4.000 2.297 2.178 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 15 ASN QB 1 16 GLN H 2.900 . 4.000 3.159 1.792 3.977 0.008 32 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 15 ASN QB 1 16 GLN QE 3.400 . 5.000 4.399 1.800 5.093 0.093 32 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 15 ASN QB 1 17 SER QB 3.400 . 5.000 4.728 3.712 5.021 0.021 18 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 16 GLN H 1 16 GLN HA 2.900 . 4.000 2.753 2.321 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 16 GLN H 1 16 GLN QB 2.300 . 2.800 2.610 2.103 2.853 0.053 14 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 16 GLN H 1 16 GLN QG 2.900 . 4.000 2.539 1.806 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 16 GLN HA 1 16 GLN QB 2.300 . 2.800 2.210 2.172 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 16 GLN HA 1 16 GLN QG 2.900 . 4.000 3.274 2.147 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 16 GLN HA 1 17 SER H 2.900 . 4.000 2.905 2.469 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 16 GLN QB 1 16 GLN QE 3.400 . 5.000 2.681 1.809 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 16 GLN QB 1 16 GLN QG 2.300 . 2.800 2.053 1.988 2.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 16 GLN QB 1 17 SER H 2.900 . 4.000 3.862 2.924 4.047 0.047 9 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 16 GLN QG 1 17 SER H 3.400 . 5.000 3.638 1.808 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 16 GLN QG 1 17 SER HA 3.400 . 5.000 4.056 3.448 5.061 0.061 32 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 17 SER H 1 17 SER HA 2.900 . 4.000 2.782 2.310 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 17 SER H 1 17 SER QB 2.300 . 2.800 2.382 2.066 2.812 0.012 6 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 17 SER HA 1 17 SER QB 2.300 . 2.800 2.390 2.158 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 17 SER HA 1 18 GLU H 2.300 . 2.800 2.387 2.146 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 17 SER HA 1 20 GLU QB 3.400 . 5.000 4.539 3.895 5.004 0.004 25 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 17 SER QB 1 18 GLU H 2.900 . 4.000 3.431 1.822 4.049 0.049 10 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 18 GLU H 1 18 GLU HA 2.900 . 4.000 2.804 2.311 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 18 GLU H 1 18 GLU QB . . 2.800 2.491 2.131 2.811 0.011 29 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 18 GLU H 1 18 GLU QG 2.900 . 4.000 3.846 2.892 4.018 0.018 29 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 18 GLU HA 1 18 GLU QB 2.300 . 2.800 2.450 2.286 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 18 GLU HA 1 18 GLU QG 2.300 . 2.800 2.276 2.133 2.806 0.006 30 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 18 GLU HA 1 19 CYS H 2.300 . 2.800 2.352 2.147 2.801 0.001 37 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 18 GLU HA 1 19 CYS QB 3.400 . 5.000 4.407 3.744 4.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 18 GLU HA 1 21 TYR QB 3.400 . 5.000 4.456 2.359 5.021 0.021 7 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 18 GLU QB 1 18 GLU QG 2.300 . 2.800 2.085 1.999 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 18 GLU QB 1 19 CYS H 2.900 . 4.000 3.521 1.912 4.020 0.020 12 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 18 GLU QG 1 19 CYS H 2.900 . 4.000 3.304 1.833 4.011 0.011 30 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 18 GLU QG 1 21 TYR QB 2.900 . 4.000 3.466 2.289 4.021 0.021 30 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 19 CYS H 1 19 CYS HA 2.900 . 4.000 2.808 2.297 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 19 CYS H 1 19 CYS QB 2.900 . 4.000 2.914 2.299 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 19 CYS H 1 20 GLU H 3.400 . 5.000 3.522 1.795 4.608 0.005 12 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 19 CYS HA 1 19 CYS QB 2.300 . 2.800 2.352 2.158 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 19 CYS HA 1 20 GLU H 2.900 . 4.000 2.679 2.146 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 19 CYS QB 1 20 GLU H 2.900 . 4.000 3.081 1.798 4.019 0.019 31 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 19 CYS QB 1 20 GLU HA 2.900 . 4.000 3.470 2.598 4.202 0.202 7 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 20 GLU H 1 20 GLU HA 2.900 . 4.000 2.577 2.297 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 20 GLU H 1 20 GLU QB 2.900 . 4.000 2.941 2.243 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 20 GLU H 1 20 GLU QG 2.900 . 4.000 3.408 2.075 4.000 . 5 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 20 GLU H 1 21 TYR H 2.900 . 4.000 2.534 1.797 3.851 0.003 23 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 20 GLU H 1 22 THR HB 3.400 . 5.000 4.889 4.374 5.076 0.076 31 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 20 GLU HA 1 20 GLU QB 2.300 . 2.800 2.415 2.170 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 20 GLU HA 1 20 GLU QG 2.900 . 4.000 2.402 2.136 3.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 20 GLU HA 1 21 TYR H 2.900 . 4.000 3.337 3.028 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 20 GLU QB 1 20 GLU QG 2.300 . 2.800 2.082 2.019 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 20 GLU QB 1 21 TYR H 2.900 . 4.000 3.124 1.757 3.705 0.043 31 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 20 GLU QB 1 22 THR H 3.400 . 5.000 4.222 2.488 5.005 0.005 24 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 21 TYR H 1 21 TYR HA 2.900 . 4.000 2.789 2.314 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 21 TYR H 1 21 TYR QB 2.300 . 2.800 2.346 2.052 2.875 0.075 16 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 21 TYR H 1 21 TYR QD 2.900 . 4.000 3.056 1.868 4.161 0.161 19 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 21 TYR H 1 22 THR H 2.900 . 4.000 2.590 1.790 3.603 0.010 24 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 21 TYR H 1 22 THR HA 2.900 . 4.000 3.688 3.370 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 21 TYR HA 1 21 TYR QB 2.300 . 2.800 2.229 2.158 2.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 21 TYR HA 1 21 TYR QD 3.400 . 5.000 3.293 2.411 3.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 21 TYR HA 1 22 THR H 2.900 . 4.000 3.250 2.576 3.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 21 TYR HA 1 23 ASP H 2.900 . 4.000 3.857 3.129 4.037 0.037 19 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 21 TYR HA 1 24 TRP HE1 3.400 . 5.000 4.747 2.286 5.043 0.043 30 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 21 TYR QB 1 21 TYR QD 2.900 . 4.000 2.153 2.149 2.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 21 TYR QB 1 22 THR H 2.900 . 4.000 3.616 2.784 4.020 0.020 19 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 21 TYR QD 1 22 THR H 3.400 . 5.000 3.632 2.410 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 21 TYR QD 1 22 THR MG 3.900 . 6.000 4.727 4.125 5.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 21 TYR QE 1 22 THR MG 3.900 . 6.000 4.793 3.704 6.013 0.013 6 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 22 THR H 1 22 THR HA 2.900 . 4.000 2.931 2.857 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 22 THR H 1 22 THR HB 2.900 . 4.000 2.632 2.311 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 22 THR H 1 22 THR MG 2.900 . 4.000 3.782 3.393 4.000 . 27 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 22 THR H 1 23 ASP H 2.300 . 2.800 2.142 1.785 2.370 0.015 19 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 22 THR H 1 23 ASP HA 3.400 . 5.000 4.829 4.348 5.008 0.008 9 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 22 THR HA 1 22 THR MG 2.300 . 2.800 2.301 2.119 2.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 22 THR HA 1 23 ASP H 2.900 . 4.000 3.445 3.053 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 22 THR HA 1 24 TRP H 2.900 . 4.000 3.786 3.457 4.025 0.025 25 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 22 THR HA 1 24 TRP HE1 3.400 . 5.000 3.837 3.150 5.011 0.011 18 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 22 THR HA 1 24 TRP HZ2 3.900 . 6.000 4.569 3.625 6.017 0.017 9 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 22 THR HB 1 23 ASP H 2.900 . 4.000 3.005 2.507 4.010 0.010 8 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 22 THR HB 1 23 ASP QB 2.900 . 4.000 3.925 3.622 4.014 0.014 22 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 22 THR MG 1 23 ASP H 3.400 . 5.000 3.729 2.946 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 22 THR MG 1 23 ASP HA 3.400 . 5.000 3.871 3.355 5.020 0.020 6 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 22 THR MG 1 23 ASP QB 3.900 . 6.000 4.125 2.876 5.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 23 ASP H 1 23 ASP HA 2.900 . 4.000 2.933 2.863 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 23 ASP H 1 23 ASP QB 2.900 . 4.000 2.459 2.092 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 23 ASP H 1 24 TRP H . . 2.800 2.491 1.800 2.807 0.007 6 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 23 ASP HA 1 24 TRP H 2.900 . 4.000 3.103 2.922 3.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 23 ASP QB 1 24 TRP H 2.900 . 4.000 3.735 3.033 4.024 0.024 18 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 23 ASP QB 1 26 SER QB 3.400 . 5.000 4.342 2.696 5.026 0.026 9 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 23 ASP QB 1 26 SER QB 3.400 . 5.000 3.647 2.656 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 24 TRP H 1 24 TRP HA 2.900 . 4.000 2.771 2.713 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 24 TRP H 1 24 TRP QB . . 2.800 2.639 2.239 2.833 0.033 37 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 24 TRP H 1 24 TRP HD1 3.400 . 4.000 2.334 1.795 2.573 0.005 7 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 24 TRP H 1 25 LYS H 3.400 . 5.000 3.679 2.743 4.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 24 TRP HA 1 24 TRP QB 2.300 . 2.800 2.173 2.158 2.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 24 TRP HA 1 24 TRP HD1 3.400 . 5.000 3.800 3.692 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 24 TRP HA 1 25 LYS H 2.900 . 4.000 3.303 2.107 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 24 TRP HA 1 25 LYS QB 3.900 . 6.000 5.092 4.279 5.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 24 TRP HA 1 27 SER H 2.900 . 4.000 3.256 2.391 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 24 TRP QB 1 24 TRP HD1 2.900 . 4.000 3.076 2.834 3.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 24 TRP QB 1 25 LYS H 2.900 . 4.000 2.188 1.788 3.784 0.012 40 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 24 TRP HD1 1 25 LYS H 3.400 . 5.000 2.507 1.810 5.072 0.072 15 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 24 TRP HE1 1 26 SER QB 3.400 . 5.000 4.330 2.233 5.041 0.041 7 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 24 TRP HZ2 1 25 LYS QE 3.400 . 5.000 4.736 2.969 5.032 0.032 40 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 25 LYS H 1 25 LYS HA 2.900 . 4.000 2.831 2.316 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 25 LYS H 1 25 LYS QB 2.900 . 4.000 2.722 2.177 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 25 LYS H 1 25 LYS QG 2.900 . 4.000 2.314 1.799 4.002 0.002 2 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 25 LYS H 1 26 SER H 2.900 . 4.000 3.398 1.915 4.060 0.060 40 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 25 LYS H 1 29 ALA H 3.900 . 6.000 5.795 4.892 6.040 0.040 37 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 25 LYS HA 1 25 LYS QB . . 2.800 2.258 2.173 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 25 LYS HA 1 25 LYS QD 2.900 . 4.000 3.923 3.464 4.180 0.180 38 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 25 LYS HA 1 25 LYS QG 2.900 . 4.000 2.968 2.137 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 25 LYS HA 1 26 SER H 2.900 . 4.000 2.836 2.163 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 25 LYS HA 1 29 ALA MB 3.400 . 5.000 4.428 2.403 5.063 0.063 37 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 25 LYS QB 1 26 SER H 3.400 . 4.000 3.348 1.783 4.042 0.042 15 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 25 LYS QD 1 25 LYS QE 2.300 . 2.800 2.064 2.009 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 25 LYS QD 1 25 LYS QG 2.300 . 2.800 2.083 2.021 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 25 LYS QE 1 25 LYS QG 2.900 . 4.000 2.221 2.098 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 25 LYS QG 1 26 SER H 3.400 . 5.000 3.615 1.792 4.446 0.008 18 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 25 LYS QG 1 28 GLY H 3.400 . 5.000 4.512 2.998 5.007 0.007 2 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 26 SER H 1 26 SER HA 2.900 . 4.000 2.746 2.295 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 26 SER H 1 26 SER QB 2.900 . 4.000 2.657 2.085 3.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 26 SER H 1 27 SER H 2.300 . 2.800 2.535 1.788 2.822 0.022 37 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 26 SER H 1 29 ALA H 3.400 . 5.000 4.730 2.738 5.050 0.050 37 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 26 SER HA 1 26 SER QB 2.300 . 2.800 2.356 2.157 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 26 SER HA 1 27 SER H 2.900 . 4.000 3.273 2.392 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 26 SER QB 1 27 SER H 2.900 . 4.000 3.104 1.808 4.010 0.010 19 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 27 SER H 1 27 SER HA 2.900 . 4.000 2.572 2.296 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 27 SER H 1 27 SER QB 2.900 . 4.000 3.073 2.182 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 27 SER H 1 28 GLY H . . 2.800 2.412 1.788 2.850 0.050 39 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 27 SER H 1 29 ALA H 2.900 . 4.000 3.541 2.435 4.031 0.031 25 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 27 SER HA 1 27 SER QB 2.300 . 2.800 2.349 2.158 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 27 SER HA 1 28 GLY H 2.900 . 4.000 3.124 2.814 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 27 SER QB 1 28 GLY H 2.900 . 4.000 3.477 1.807 4.007 0.007 25 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 27 SER QB 1 29 ALA MB 3.900 . 6.000 5.260 3.625 5.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 27 SER QB 1 30 LEU H 3.400 . 5.000 4.222 3.438 5.007 0.007 19 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 27 SER QB 1 30 LEU QB 3.400 . 5.000 4.690 3.089 5.010 0.010 9 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 28 GLY H 1 28 GLY QA 2.300 . 2.800 2.265 2.196 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 28 GLY H 1 29 ALA H 2.300 . 2.800 2.457 1.797 2.826 0.026 7 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 28 GLY H 1 29 ALA MB 3.900 . 6.000 4.224 3.310 4.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 28 GLY QA 1 29 ALA H 2.900 . 4.000 2.891 2.773 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 28 GLY QA 1 29 ALA HA 3.400 . 5.000 4.407 4.018 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 28 GLY QA 1 29 ALA MB 3.900 . 6.000 3.762 3.498 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 28 GLY QA 1 30 LEU QD 3.400 . 5.000 3.572 2.288 4.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 28 GLY QA 1 30 LEU HG 3.400 . 5.000 4.416 2.819 5.036 0.036 39 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 29 ALA H 1 29 ALA HA 2.900 . 4.000 2.504 2.297 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 29 ALA H 1 29 ALA MB 2.900 . 4.000 2.679 2.059 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 29 ALA HA 1 30 LEU H 2.900 . 4.000 2.698 2.154 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 29 ALA HA 1 30 LEU HG 3.400 . 5.000 4.665 3.749 5.020 0.020 25 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 29 ALA HA 1 32 PRO QB 2.900 . 4.000 3.759 2.531 4.024 0.024 39 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 29 ALA HA 1 32 PRO QD 2.900 . 4.000 2.647 2.312 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 29 ALA HA 1 32 PRO QG 2.900 . 4.000 2.594 2.320 3.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 29 ALA MB 1 30 LEU H 3.400 . 5.000 3.569 3.246 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 29 ALA MB 1 30 LEU HA 3.400 . 5.000 4.202 3.968 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 29 ALA MB 1 30 LEU QB 3.400 . 5.000 4.763 4.006 5.091 0.091 19 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 29 ALA MB 1 30 LEU QD 3.900 . 6.000 3.993 2.530 5.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 29 ALA MB 1 31 ILE H 3.400 . 5.000 4.732 3.058 5.055 0.055 10 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 29 ALA MB 1 32 PRO QB 3.400 . 5.000 4.016 2.292 5.020 0.020 25 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 29 ALA MB 1 32 PRO QD 3.400 . 5.000 3.628 2.282 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 29 ALA MB 1 32 PRO QG 3.400 . 5.000 3.681 2.571 4.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 30 LEU H 1 30 LEU HA 2.900 . 4.000 2.931 2.795 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 30 LEU H 1 30 LEU QB 2.900 . 4.000 2.565 2.207 3.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 30 LEU H 1 30 LEU QD 3.400 . 5.000 3.096 1.800 3.686 0.000 2 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 30 LEU H 1 30 LEU HG 2.900 . 4.000 2.845 1.855 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 30 LEU HA 1 30 LEU QD 2.900 . 4.000 2.488 2.100 3.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 30 LEU HA 1 31 ILE H 2.900 . 4.000 3.188 2.409 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 30 LEU HA 1 33 ALA H 3.400 . 5.000 4.441 3.704 5.011 0.011 33 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 30 LEU HA 1 34 ILE MD 3.900 . 6.000 4.797 3.939 5.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 30 LEU QB 1 33 ALA MB 2.900 . 4.000 3.968 3.703 4.070 0.070 29 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 30 LEU QB 1 33 ALA HA 3.400 . 5.000 4.381 3.956 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 30 LEU QD 1 33 ALA H 3.900 . 6.000 4.836 4.413 5.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 30 LEU HG 1 31 ILE H 2.900 . 4.000 3.266 1.801 3.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 30 LEU HG 1 32 PRO QD 3.400 . 5.000 4.624 3.189 5.006 0.006 13 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 31 ILE H 1 31 ILE HA 2.900 . 4.000 2.833 2.731 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 31 ILE H 1 31 ILE HB 2.900 . 4.000 2.581 2.083 3.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 31 ILE H 1 31 ILE MD 3.400 . 5.000 4.266 3.956 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 31 ILE H 1 31 ILE QG 3.400 . 5.000 3.495 2.884 4.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 31 ILE H 1 31 ILE MG 3.400 . 5.000 3.557 3.342 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 31 ILE H 1 32 PRO QB 3.400 . 5.000 4.618 4.273 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 31 ILE H 1 32 PRO QD 2.900 . 4.000 1.832 1.751 2.067 0.049 33 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 31 ILE H 1 33 ALA MB 3.400 . 5.000 4.312 3.268 5.002 0.002 4 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 31 ILE H 1 34 ILE MD 3.900 . 6.000 4.621 3.287 6.004 0.004 9 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 31 ILE HA 1 31 ILE HB 2.900 . 4.000 2.926 2.889 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 31 ILE HA 1 31 ILE MD 2.900 . 4.000 2.267 2.181 3.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 31 ILE HA 1 31 ILE QG 2.900 . 4.000 2.314 2.133 2.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 31 ILE HA 1 31 ILE MG 2.900 . 4.000 2.817 2.579 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 31 ILE HA 1 32 PRO QD 2.900 . 4.000 3.474 3.462 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 31 ILE HA 1 33 ALA H 3.400 . 5.000 4.062 3.484 4.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 31 ILE HA 1 33 ALA MB 3.400 . 5.000 4.556 4.079 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 31 ILE HA 1 34 ILE H 3.400 . 4.000 3.567 3.086 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 31 ILE HA 1 34 ILE HB 2.900 . 4.000 3.374 2.491 3.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 31 ILE HA 1 34 ILE MD 3.400 . 5.000 2.839 2.223 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 31 ILE HA 1 34 ILE QG 3.400 . 5.000 3.954 2.415 5.002 0.002 24 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 31 ILE HA 1 35 TYR H 3.400 . 5.000 4.777 4.032 5.007 0.007 38 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 31 ILE HB 1 31 ILE MD 2.900 . 4.000 3.166 2.253 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 31 ILE HB 1 32 PRO HA 3.900 . 6.000 5.034 4.758 5.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 31 ILE HB 1 32 PRO QD 2.900 . 4.000 2.304 2.277 2.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 31 ILE HB 1 33 ALA H 3.900 . 6.000 5.284 5.005 5.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 31 ILE HB 1 35 TYR QD 3.900 . 6.000 5.753 4.598 6.017 0.017 29 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 31 ILE MD 1 32 PRO QD 3.400 . 5.000 4.282 4.014 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 31 ILE MD 1 32 PRO QG 3.900 . 6.000 5.449 5.202 5.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 31 ILE MD 1 34 ILE H 3.900 . 6.000 4.423 3.989 6.036 0.036 37 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 31 ILE MD 1 35 TYR HA 3.900 . 6.000 5.446 4.644 6.016 0.016 37 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 31 ILE QG 1 31 ILE MG 2.900 . 4.000 2.382 2.268 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 31 ILE QG 1 32 PRO QD 2.900 . 4.000 3.908 3.799 3.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 31 ILE QG 1 32 PRO QG 3.900 . 6.000 5.399 5.333 5.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 31 ILE MG 1 32 PRO HA 3.900 . 5.000 3.019 2.940 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 31 ILE MG 1 32 PRO QD 3.400 . 4.000 2.464 2.230 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 31 ILE MG 1 32 PRO QG 2.900 . 4.000 3.069 2.642 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 31 ILE MG 1 33 ALA H 3.900 . 6.000 4.428 4.068 4.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 31 ILE MG 1 35 TYR QB 3.400 . 5.000 3.390 2.256 3.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 31 ILE MG 1 35 TYR QD 3.900 . 6.000 2.807 2.209 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 31 ILE MG 1 35 TYR QE 3.900 . 6.000 4.028 2.278 4.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 32 PRO HA 1 32 PRO QD 3.400 . 5.000 3.421 3.371 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 32 PRO HA 1 32 PRO QG 2.900 . 4.000 3.011 2.924 3.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 32 PRO HA 1 33 ALA H 3.400 . 5.000 3.500 3.327 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 32 PRO HA 1 35 TYR H 3.400 . 4.000 3.206 2.974 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 32 PRO HA 1 35 TYR QB 2.900 . 4.000 2.328 2.199 2.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 32 PRO HA 1 35 TYR QD 3.900 . 5.000 3.758 2.446 4.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 32 PRO HA 1 36 MET H 2.900 . 4.000 2.809 2.673 2.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 32 PRO QB 1 32 PRO QD 2.900 . 4.000 2.794 2.776 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 32 PRO QB 1 33 ALA H 3.400 . 4.000 2.878 2.292 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 32 PRO QB 1 33 ALA MB 3.400 . 5.000 3.826 3.677 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 32 PRO QB 1 34 ILE H 3.400 . 5.000 4.698 4.263 5.006 0.006 27 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 32 PRO QB 1 35 TYR HA 3.400 . 5.000 4.832 4.266 5.032 0.032 20 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 32 PRO QB 1 35 TYR QB 2.900 . 4.000 3.832 3.623 4.015 0.015 37 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 32 PRO QB 1 35 TYR QD 3.900 . 6.000 5.188 4.216 5.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 32 PRO QD 1 33 ALA H 3.400 . 4.000 2.596 2.312 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 32 PRO QD 1 33 ALA MB 3.400 . 5.000 3.777 3.491 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 32 PRO QG 1 35 TYR QB 3.400 . 5.000 4.757 4.450 5.012 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 32 PRO QG 1 35 TYR QB 3.400 . 5.000 4.444 4.229 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 32 PRO QG 1 35 TYR QD 3.900 . 6.000 5.571 4.486 5.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 33 ALA H 1 33 ALA HA 2.900 . 4.000 2.835 2.733 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 33 ALA H 1 33 ALA MB 2.900 . 4.000 2.141 2.027 2.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 33 ALA H 1 34 ILE H 2.900 . 4.000 2.577 2.199 2.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 33 ALA HA 1 34 ILE H 2.900 . 4.000 3.485 3.278 3.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 33 ALA HA 1 36 MET H 2.900 . 4.000 3.927 3.649 4.058 0.058 39 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 33 ALA HA 1 36 MET QB 2.900 . 4.000 3.755 3.246 4.079 0.079 32 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 33 ALA HA 1 37 LEU QD 3.900 . 6.000 4.413 2.817 6.020 0.020 39 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 33 ALA MB 1 34 ILE H 2.900 . 4.000 2.827 2.580 3.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 33 ALA MB 1 34 ILE HA 3.900 . 6.000 3.885 3.766 4.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 33 ALA MB 1 34 ILE HB 3.400 . 5.000 4.553 4.266 5.039 0.039 39 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 33 ALA MB 1 34 ILE MD 3.900 . 6.000 3.602 2.100 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 33 ALA MB 1 34 ILE QG 3.400 . 5.000 3.226 2.713 4.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 33 ALA MB 1 34 ILE MG 3.900 . 6.000 4.922 4.300 5.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 33 ALA MB 1 35 TYR H 3.900 . 6.000 4.442 4.130 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 33 ALA MB 1 35 TYR QB 3.900 . 6.000 5.402 5.132 5.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 34 ILE H 1 34 ILE HA 2.900 . 4.000 2.914 2.893 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 34 ILE H 1 34 ILE HB 2.900 . 4.000 2.423 2.242 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 34 ILE H 1 34 ILE MD 3.400 . 5.000 3.079 1.879 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 34 ILE H 1 34 ILE QG 2.900 . 4.000 2.677 1.800 3.657 0.000 23 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 34 ILE H 1 34 ILE MG 3.400 . 4.000 3.728 3.642 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 34 ILE H 1 35 TYR QB 2.900 . 4.000 3.948 3.572 4.045 0.045 32 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 34 ILE H 1 37 LEU HG 3.400 . 5.000 4.044 1.818 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 34 ILE HA 1 34 ILE HB 2.900 . 4.000 3.018 2.954 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 34 ILE HA 1 34 ILE MD 2.900 . 4.000 3.524 2.093 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 34 ILE HA 1 34 ILE QG 2.900 . 4.000 2.399 2.257 3.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 34 ILE HA 1 34 ILE MG 2.900 . 4.000 2.366 2.153 2.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 34 ILE HA 1 35 TYR H 2.900 . 4.000 3.440 3.192 3.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 34 ILE HA 1 37 LEU H 2.900 . 4.000 3.414 2.940 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 34 ILE HA 1 37 LEU QB 2.900 . 4.000 2.397 2.225 3.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 34 ILE HA 1 37 LEU QD 3.400 . 5.000 3.312 2.241 4.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 34 ILE HA 1 37 LEU QD 2.900 . 4.000 3.140 2.234 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 34 ILE HB 1 34 ILE MD 2.900 . 4.000 2.284 2.144 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 34 ILE HB 1 35 TYR H 2.900 . 4.000 3.057 2.534 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 34 ILE HB 1 35 TYR HA 3.400 . 5.000 4.437 4.026 4.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 34 ILE HB 1 35 TYR QB 3.400 . 5.000 4.398 4.111 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 34 ILE HB 1 37 LEU QB 3.400 . 5.000 4.989 4.652 5.034 0.034 25 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 34 ILE QG 1 34 ILE MG 2.900 . 4.000 2.181 2.012 2.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 34 ILE QG 1 38 VAL HA 3.400 . 5.000 4.158 3.627 4.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 34 ILE QG 1 38 VAL QG 3.400 . 5.000 4.893 4.295 5.048 0.048 39 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 34 ILE MG 1 35 TYR H 3.400 . 5.000 3.524 3.174 4.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 34 ILE MG 1 35 TYR HA 3.400 . 5.000 3.614 3.222 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 35 TYR H 1 35 TYR HA 2.900 . 4.000 2.854 2.759 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 35 TYR H 1 35 TYR QB . . 2.800 2.115 2.042 2.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 35 TYR H 1 35 TYR QD 3.400 . 5.000 3.743 3.056 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 35 TYR HA 1 35 TYR QB 2.300 . 2.800 2.520 2.434 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 35 TYR HA 1 35 TYR QD 3.400 . 5.000 2.820 2.450 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 35 TYR HA 1 36 MET H 2.900 . 4.000 3.542 3.498 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 35 TYR HA 1 36 MET ME 3.900 . 6.000 5.909 5.362 6.083 0.083 5 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 35 TYR HA 1 36 MET QG 3.400 . 5.000 4.948 4.632 5.067 0.067 39 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 35 TYR HA 1 38 VAL HA 3.400 . 5.000 4.234 4.119 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 35 TYR HA 1 38 VAL HB 2.900 . 4.000 3.670 2.734 4.013 0.013 23 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 35 TYR HA 1 38 VAL QG 3.400 . 5.000 3.464 2.710 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 35 TYR QB 1 35 TYR QD 2.900 . 4.000 2.156 2.149 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 35 TYR QB 1 36 MET H 2.300 . 2.800 2.597 2.201 2.807 0.007 40 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 35 TYR QB 1 36 MET HA 2.900 . 4.000 3.823 3.642 4.012 0.012 20 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 35 TYR QB 1 37 LEU H 3.400 . 5.000 4.552 4.082 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 35 TYR QB 1 38 VAL QG 3.400 . 5.000 4.919 4.458 5.014 0.014 28 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 35 TYR QD 1 36 MET H 3.400 . 5.000 4.325 3.653 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 35 TYR QD 1 36 MET QG 3.900 . 6.000 4.436 3.000 6.006 0.006 39 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 35 TYR QD 1 38 VAL QG 3.900 . 6.000 4.663 3.953 5.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 35 TYR QE 1 39 PHE QB 3.900 . 6.000 5.308 3.730 6.015 0.015 33 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 36 MET H 1 36 MET HA 2.900 . 4.000 2.861 2.728 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 36 MET H 1 36 MET QB 2.900 . 4.000 2.426 2.216 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 36 MET H 1 36 MET QG 2.900 . 4.000 2.374 1.885 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 36 MET HA 1 36 MET ME 3.900 . 6.000 3.592 2.314 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 36 MET HA 1 36 MET QG 3.400 . 4.000 2.538 2.289 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 36 MET HA 1 39 PHE H 2.900 . 4.000 3.031 2.653 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 36 MET HA 1 39 PHE QB 2.900 . 4.000 2.289 2.088 2.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 36 MET HA 1 40 LEU H 3.400 . 5.000 4.012 3.251 5.015 0.015 33 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 36 MET QB 1 36 MET ME 3.400 . 5.000 3.018 2.075 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 36 MET QB 1 37 LEU H 2.900 . 4.000 2.861 2.370 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 36 MET QB 1 39 PHE QB 3.400 . 5.000 3.716 3.185 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 36 MET ME 1 36 MET QG 3.400 . 5.000 2.157 2.106 2.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 36 MET ME 1 39 PHE QD 3.900 . 6.000 4.880 2.338 6.031 0.031 38 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 36 MET QG 1 39 PHE H 3.400 . 5.000 4.940 4.580 5.069 0.069 8 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 36 MET QG 1 40 LEU QD 3.400 . 5.000 3.904 3.442 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 36 MET QG 1 40 LEU HG 3.900 . 6.000 6.002 5.807 6.049 0.049 40 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 37 LEU H 1 37 LEU HA 2.900 . 4.000 2.807 2.707 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 37 LEU H 1 37 LEU QB . . 2.800 2.140 2.044 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 37 LEU H 1 37 LEU QD 3.400 . 5.000 2.892 2.031 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 37 LEU H 1 38 VAL QG 3.900 . 6.000 3.898 3.291 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 37 LEU HA 1 37 LEU QB 2.300 . 2.800 2.492 2.319 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 37 LEU HA 1 37 LEU QD 2.900 . 4.000 2.049 1.931 2.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 37 LEU HA 1 37 LEU HG 2.900 . 4.000 3.062 2.347 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 37 LEU HA 1 38 VAL H 2.900 . 4.000 3.363 3.105 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 37 LEU HA 1 38 VAL QG 3.400 . 5.000 4.194 3.995 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 37 LEU HA 1 40 LEU H 3.400 . 5.000 4.429 3.772 4.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 37 LEU QB 1 37 LEU QD . . 2.800 1.953 1.894 2.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 37 LEU QB 1 38 VAL H 2.900 . 4.000 3.119 2.178 3.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 37 LEU QD 1 39 PHE H 3.400 . 5.000 3.468 2.667 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 37 LEU QD 1 40 LEU HG 2.900 . 4.000 3.944 3.426 4.054 0.054 20 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 38 VAL H 1 38 VAL HA 2.900 . 4.000 2.939 2.785 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 38 VAL H 1 38 VAL HB 2.300 . 2.800 2.656 2.428 2.857 0.057 4 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 38 VAL H 1 38 VAL QG 2.900 . 4.000 2.515 1.798 2.907 0.002 5 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 38 VAL H 1 40 LEU QB 3.400 . 5.000 4.734 4.144 5.054 0.054 30 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 38 VAL HA 1 38 VAL HB 2.900 . 4.000 3.021 2.996 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 38 VAL HA 1 38 VAL QG 2.900 . 4.000 2.061 2.025 2.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 38 VAL HA 1 39 PHE H 3.400 . 5.000 3.328 2.875 3.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 38 VAL HA 1 40 LEU QD 3.400 . 5.000 4.837 4.049 5.030 0.030 12 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 38 VAL HA 1 40 LEU HG 2.900 . 4.000 2.657 2.290 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 38 VAL HA 1 41 LEU H 2.900 . 4.000 3.704 3.062 4.015 0.015 3 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 38 VAL HA 1 41 LEU QB 2.900 . 4.000 2.697 2.293 4.035 0.035 4 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 38 VAL HA 1 41 LEU QD 3.400 . 5.000 2.764 1.994 4.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 38 VAL QG 1 39 PHE H 3.400 . 5.000 3.548 3.343 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 38 VAL QG 1 39 PHE HA 3.400 . 5.000 3.854 3.598 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 38 VAL QG 1 39 PHE QB 3.400 . 5.000 4.324 4.028 4.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 38 VAL QG 1 39 PHE QD 3.900 . 6.000 4.663 3.014 5.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 38 VAL QG 1 40 LEU H 3.900 . 6.000 4.922 3.982 5.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 38 VAL QG 1 42 GLY H 3.400 . 5.000 4.711 3.689 5.041 0.041 40 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 39 PHE H 1 39 PHE HA 2.900 . 4.000 2.913 2.802 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 39 PHE H 1 39 PHE QB 2.900 . 4.000 2.293 2.070 2.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 39 PHE H 1 40 LEU H 2.900 . 4.000 2.500 1.866 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 39 PHE H 1 40 LEU HA 3.900 . 6.000 5.083 4.575 5.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 39 PHE H 1 40 LEU HG 3.400 . 5.000 3.512 2.871 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 39 PHE H 1 41 LEU QB 3.400 . 5.000 4.283 3.776 5.010 0.010 38 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 39 PHE H 1 41 LEU QD 3.400 . 5.000 4.540 3.126 5.039 0.039 25 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 39 PHE HA 1 39 PHE QD 3.400 . 5.000 2.644 2.335 3.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 39 PHE HA 1 40 LEU H 3.400 . 4.000 3.471 2.952 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 39 PHE HA 1 43 THR H 3.400 . 5.000 4.865 4.155 5.011 0.011 23 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 39 PHE QB 1 39 PHE QD 2.900 . 4.000 2.158 2.149 2.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 39 PHE QB 1 40 LEU H 2.900 . 4.000 2.561 1.823 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 39 PHE QB 1 40 LEU QD 3.900 . 6.000 3.360 1.979 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 39 PHE QB 1 40 LEU HG 3.400 . 5.000 4.123 3.520 4.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 39 PHE QD 1 40 LEU QD 3.900 . 6.000 4.395 2.186 5.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 39 PHE QD 1 40 LEU QD 3.400 . 5.000 4.177 2.185 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 39 PHE QD 1 40 LEU HG 3.900 . 6.000 5.449 3.696 5.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 39 PHE QD 1 43 THR MG 3.400 . 5.000 3.693 2.283 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 40 LEU H 1 40 LEU HA 2.900 . 4.000 2.852 2.732 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 40 LEU H 1 40 LEU QB 2.900 . 4.000 2.724 2.455 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 40 LEU H 1 40 LEU QD 3.900 . 5.000 2.574 1.769 3.289 0.031 24 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 40 LEU H 1 40 LEU HG 2.900 . 4.000 2.077 1.790 2.376 0.010 8 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 40 LEU HA 1 40 LEU QD 2.900 . 4.000 3.329 2.596 3.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 40 LEU HA 1 40 LEU HG 2.900 . 4.000 3.536 3.503 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 40 LEU HA 1 43 THR MG 2.900 . 4.000 3.219 2.078 4.036 0.036 25 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 40 LEU HA 1 44 THR MG 3.400 . 5.000 4.196 2.295 5.037 0.037 35 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 40 LEU QB 1 41 LEU H 2.900 . 4.000 3.597 2.830 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 40 LEU QB 1 43 THR H 3.400 . 5.000 4.834 4.273 5.096 0.096 35 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 40 LEU HG 1 41 LEU H 2.300 . 2.800 2.344 1.809 2.821 0.021 28 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 40 LEU HG 1 41 LEU QB 2.900 . 4.000 3.727 3.001 4.047 0.047 24 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 40 LEU HG 1 42 GLY H 3.400 . 5.000 2.920 2.389 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 41 LEU H 1 41 LEU HA 2.900 . 4.000 2.835 2.710 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 41 LEU H 1 41 LEU QB 3.400 . 4.000 2.160 2.049 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 41 LEU H 1 41 LEU QD 3.900 . 5.000 2.952 1.791 3.764 0.009 17 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 41 LEU H 1 41 LEU HG 2.900 . 4.000 3.598 2.106 4.036 0.036 18 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 41 LEU H 1 42 GLY H 2.900 . 4.000 2.635 2.190 3.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 41 LEU HA 1 41 LEU QD 2.900 . 4.000 2.305 1.936 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 41 LEU HA 1 41 LEU HG 2.900 . 4.000 2.856 2.332 3.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 41 LEU HA 1 42 GLY H 2.900 . 4.000 3.460 2.961 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 41 LEU HA 1 43 THR H 3.400 . 5.000 4.288 3.620 5.003 0.003 15 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 41 LEU HA 1 46 ASN QB 3.400 . 5.000 4.583 2.241 5.024 0.024 25 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 41 LEU QB 1 42 GLY H 3.400 . 5.000 2.968 2.393 3.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 42 GLY H 1 43 THR H 3.400 . 4.000 2.278 1.791 2.845 0.009 38 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 42 GLY QA 1 43 THR H 2.900 . 4.000 2.776 2.456 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 43 THR H 1 43 THR HA 2.900 . 4.000 2.925 2.806 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 43 THR H 1 43 THR HB 2.900 . 4.000 3.241 2.445 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 43 THR H 1 43 THR MG 2.900 . 4.000 2.428 1.790 3.959 0.010 38 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 43 THR H 1 44 THR H 2.900 . 4.000 3.301 1.829 4.078 0.078 35 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 43 THR H 1 44 THR MG 3.900 . 6.000 4.971 3.760 5.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 43 THR H 1 45 GLY H 3.400 . 5.000 4.527 2.661 5.053 0.053 35 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 43 THR H 1 45 GLY QA 2.900 . 4.000 3.703 2.454 4.084 0.084 12 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 43 THR HA 1 43 THR MG 2.900 . 4.000 2.873 2.215 3.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 43 THR HA 1 44 THR H 2.900 . 4.000 3.231 2.165 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 43 THR HB 1 44 THR H 2.900 . 4.000 3.162 1.813 4.075 0.075 28 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 43 THR MG 1 46 ASN QB 3.400 . 5.000 4.961 4.605 5.054 0.054 25 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 43 THR MG 1 46 ASN QD 3.400 . 5.000 4.319 2.889 5.009 0.009 26 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 44 THR H 1 44 THR HA 2.900 . 4.000 2.570 2.293 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 44 THR H 1 44 THR HB 3.400 . 5.000 3.623 2.447 4.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 44 THR H 1 44 THR MG 3.400 . 5.000 3.248 1.962 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 44 THR H 1 45 GLY H 2.900 . 4.000 3.401 1.893 4.119 0.119 22 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 44 THR HA 1 44 THR MG . . 2.800 2.256 2.120 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 44 THR HA 1 45 GLY H 2.900 . 4.000 3.500 3.242 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 44 THR HA 1 45 GLY QA 3.400 . 5.000 4.249 4.131 4.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 44 THR HB 1 45 GLY H 2.900 . 4.000 2.403 1.805 3.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 44 THR HB 1 45 GLY QA 2.900 . 4.000 3.799 3.525 4.034 0.034 20 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 44 THR HB 1 46 ASN QD 3.400 . 5.000 4.340 2.903 5.026 0.026 6 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 44 THR MG 1 45 GLY H 3.900 . 6.000 3.370 1.792 4.424 0.008 34 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 44 THR MG 1 45 GLY QA 3.400 . 5.000 4.169 2.784 4.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 44 THR MG 1 46 ASN QD 3.900 . 6.000 4.754 3.589 6.006 0.006 8 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 45 GLY H 1 45 GLY QA . . 2.800 2.411 2.204 2.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 45 GLY H 1 46 ASN H . . 2.800 2.475 1.791 2.906 0.106 6 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 45 GLY H 1 49 VAL QG 3.400 . 5.000 3.860 1.923 4.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 45 GLY QA 1 46 ASN H 2.900 . 4.000 2.625 2.311 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 45 GLY QA 1 46 ASN QD 3.400 . 5.000 3.815 2.785 5.070 0.070 25 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 45 GLY QA 1 49 VAL HB 2.900 . 4.000 3.615 2.316 4.018 0.018 19 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 46 ASN H 1 46 ASN HA 2.900 . 4.000 2.608 2.295 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 46 ASN H 1 46 ASN QB 2.900 . 4.000 2.846 2.075 3.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 46 ASN H 1 46 ASN QD 3.400 . 5.000 2.875 1.806 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 46 ASN H 1 47 GLY H 2.900 . 4.000 3.562 1.929 4.104 0.104 6 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 46 ASN HA 1 46 ASN QD 3.400 . 5.000 3.504 2.070 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 46 ASN HA 1 47 GLY H 2.900 . 4.000 2.419 2.116 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 46 ASN HA 1 48 LEU H 3.400 . 5.000 4.242 3.484 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 46 ASN HA 1 49 VAL HB 3.400 . 5.000 4.077 3.342 5.023 0.023 20 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 46 ASN HA 1 49 VAL QG 3.900 . 5.000 4.104 3.690 4.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 46 ASN QB 1 46 ASN QD 2.900 . 4.000 2.367 2.181 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 46 ASN QB 1 47 GLY H 3.400 . 5.000 3.649 1.834 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 46 ASN QB 1 48 LEU QB 3.400 . 5.000 4.853 4.016 5.069 0.069 40 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 46 ASN QB 1 49 VAL QG 3.900 . 5.000 4.911 3.892 5.057 0.057 3 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 46 ASN QB 1 50 LEU QD 3.900 . 5.000 4.007 2.472 5.004 0.004 25 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 47 GLY H 1 48 LEU H 2.900 . 4.000 2.606 1.805 3.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 47 GLY H 1 50 LEU H 3.400 . 5.000 3.650 2.741 5.044 0.044 21 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 47 GLY H 1 50 LEU QB 3.400 . 5.000 4.648 3.001 5.038 0.038 12 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 47 GLY H 1 50 LEU QD 3.900 . 6.000 2.743 1.799 4.299 0.001 2 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 47 GLY QA 1 48 LEU H 3.400 . 4.000 2.690 2.307 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 47 GLY QA 1 48 LEU QD 3.400 . 5.000 4.280 3.003 4.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 47 GLY QA 1 50 LEU QD 3.900 . 6.000 3.048 2.045 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 48 LEU H 1 48 LEU HA 2.900 . 4.000 2.889 2.290 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 48 LEU H 1 48 LEU QB . . 2.800 2.417 2.053 2.959 0.159 12 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 48 LEU H 1 48 LEU QD 3.400 . 5.000 3.564 2.275 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 48 LEU H 1 48 LEU HG 3.400 . 5.000 4.259 3.670 4.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 48 LEU HA 1 48 LEU QB . . 2.800 2.508 2.390 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 48 LEU HA 1 48 LEU QD 3.400 . 4.000 2.158 1.933 2.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 48 LEU HA 1 48 LEU HG 2.900 . 4.000 2.638 2.346 3.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 48 LEU HA 1 49 VAL H 2.900 . 4.000 3.422 3.097 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 48 LEU HA 1 50 LEU QD 3.400 . 5.000 4.316 2.592 5.039 0.039 21 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 48 LEU HA 1 51 TRP QB 2.900 . 4.000 2.488 2.287 3.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 48 LEU QB 1 49 VAL H 2.900 . 4.000 2.990 2.124 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 48 LEU QB 1 49 VAL HA 3.400 . 5.000 3.855 3.575 4.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 48 LEU QB 1 49 VAL QG 2.900 . 4.000 3.385 2.837 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 48 LEU QB 1 51 TRP H 2.900 . 4.000 3.082 2.158 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 48 LEU QD 1 51 TRP H 3.400 . 5.000 4.075 3.337 4.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 48 LEU QD 1 51 TRP QB 3.900 . 5.000 2.694 2.017 3.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 48 LEU QD 1 51 TRP HD1 3.400 . 5.000 2.927 2.266 3.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 48 LEU QD 1 51 TRP HH2 3.900 . 6.000 5.975 5.551 6.023 0.023 25 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 49 VAL H 1 49 VAL HA 2.900 . 4.000 2.842 2.724 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 49 VAL H 1 49 VAL HB 2.300 . 2.800 2.482 2.247 2.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 49 VAL H 1 49 VAL QG 2.900 . 4.000 2.241 1.814 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 49 VAL H 1 49 VAL QG 3.400 . 5.000 2.179 1.806 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 49 VAL HA 1 49 VAL HB 2.900 . 4.000 3.020 3.002 3.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 49 VAL HA 1 49 VAL QG 2.900 . 4.000 2.069 2.025 2.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 49 VAL HA 1 50 LEU H 2.900 . 4.000 3.477 3.350 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 49 VAL HA 1 50 LEU QD 3.400 . 5.000 4.375 3.850 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 49 VAL HA 1 52 THR H 2.900 . 4.000 3.879 3.524 4.020 0.020 39 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 49 VAL HA 1 52 THR HB 2.900 . 4.000 3.859 3.121 4.012 0.012 29 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 49 VAL HA 1 53 VAL QG 3.400 . 5.000 4.657 3.747 5.005 0.005 19 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 49 VAL HB 1 50 LEU H 2.900 . 4.000 2.881 2.083 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 49 VAL HB 1 50 LEU QB 3.400 . 5.000 4.650 3.934 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 49 VAL HB 1 50 LEU HG 3.400 . 5.000 3.812 3.138 5.045 0.045 21 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 49 VAL QG 1 50 LEU HA 2.900 . 4.000 3.548 2.900 4.021 0.021 12 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 49 VAL QG 1 52 THR H 3.900 . 6.000 4.447 3.872 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 49 VAL QG 1 52 THR HB 3.400 . 5.000 4.255 3.104 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 49 VAL QG 1 52 THR MG 3.400 . 5.000 3.772 2.772 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 50 LEU H 1 50 LEU HA 2.900 . 4.000 2.890 2.715 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 50 LEU H 1 50 LEU QB 2.900 . 4.000 2.675 2.225 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 50 LEU H 1 50 LEU QD 3.400 . 5.000 2.140 1.779 3.003 0.021 33 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 50 LEU H 1 50 LEU HG 2.900 . 4.000 2.261 1.753 4.047 0.047 3 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 50 LEU HA 1 50 LEU QD 2.900 . 4.000 2.760 1.968 3.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 50 LEU HA 1 50 LEU HG 2.900 . 4.000 3.271 2.341 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 50 LEU HA 1 51 TRP H 2.900 . 4.000 3.428 3.215 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 50 LEU HA 1 53 VAL H 2.900 . 4.000 3.246 2.968 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 50 LEU HA 1 53 VAL HB 2.900 . 4.000 2.956 2.416 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 50 LEU HA 1 53 VAL QG 3.400 . 5.000 2.533 2.198 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 50 LEU QB 1 51 TRP H 2.900 . 4.000 3.095 2.155 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 50 LEU QB 1 52 THR HA 2.900 . 4.000 2.563 2.199 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 50 LEU QB 1 52 THR MG 3.400 . 5.000 3.905 2.967 4.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 50 LEU QB 1 53 VAL HB 2.900 . 4.000 3.928 3.730 4.012 0.012 28 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 50 LEU QB 1 53 VAL QG 2.900 . 4.000 3.824 3.489 4.007 0.007 39 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 50 LEU QD 1 54 PHE QD 3.900 . 6.000 5.377 3.845 6.021 0.021 3 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 51 TRP H 1 51 TRP HA 2.900 . 4.000 2.829 2.714 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 51 TRP H 1 51 TRP QB 2.900 . 4.000 2.089 2.041 2.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 51 TRP H 1 51 TRP HD1 3.400 . 4.000 3.616 2.940 4.030 0.030 14 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 51 TRP H 1 53 VAL HA 2.900 . 4.000 3.723 3.408 4.005 0.005 33 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 51 TRP H 1 54 PHE QD 3.900 . 6.000 5.613 4.819 6.013 0.013 40 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 51 TRP HA 1 51 TRP QB . . 2.800 2.175 2.157 2.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 51 TRP HA 1 51 TRP HE3 2.900 . 4.000 3.660 3.341 3.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 51 TRP HA 1 52 THR MG 3.400 . 5.000 4.609 3.610 5.048 0.048 39 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 51 TRP HA 1 54 PHE QB 2.900 . 4.000 3.265 2.313 4.065 0.065 6 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 51 TRP QB 1 51 TRP HD1 3.400 . 5.000 2.677 2.618 2.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 51 TRP QB 1 52 THR H 2.900 . 4.000 3.140 2.676 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 51 TRP QB 1 52 THR MG 3.900 . 6.000 5.280 4.637 5.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 51 TRP HD1 1 52 THR H 3.400 . 5.000 2.457 2.109 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 51 TRP HD1 1 52 THR MG 3.900 . 6.000 4.138 3.582 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 51 TRP HE1 1 55 ARG QD 3.400 . 5.000 4.785 4.019 5.013 0.013 14 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 51 TRP HZ2 1 55 ARG QB 3.400 . 5.000 4.755 3.701 5.010 0.010 28 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 51 TRP HZ2 1 55 ARG QD 3.400 . 5.000 3.611 2.408 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 52 THR H 1 52 THR HA 2.900 . 4.000 2.874 2.773 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 52 THR H 1 52 THR HB 2.900 . 4.000 2.344 2.228 2.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 52 THR H 1 52 THR MG 2.900 . 4.000 3.009 2.214 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 52 THR HA 1 52 THR HB 2.900 . 4.000 2.801 2.575 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 52 THR HA 1 52 THR MG 2.900 . 4.000 2.832 2.366 3.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 52 THR HB 1 53 VAL QG 3.400 . 5.000 3.934 2.944 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 52 THR MG 1 53 VAL H 3.400 . 5.000 2.589 1.957 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 52 THR MG 1 53 VAL HA 3.400 . 5.000 3.119 2.920 3.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 52 THR MG 1 53 VAL HB 3.400 . 5.000 4.341 3.690 5.000 0.000 11 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 52 THR MG 1 54 PHE QB 3.900 . 6.000 5.853 5.601 6.096 0.096 14 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 52 THR MG 1 56 LYS QE 2.900 . 4.000 3.439 1.872 4.012 0.012 14 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 52 THR MG 1 56 LYS H 3.400 . 5.000 4.159 2.982 5.008 0.008 1 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 52 THR MG 1 56 LYS QB 3.400 . 5.000 4.131 2.529 5.002 0.002 21 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 52 THR MG 1 56 LYS QE 3.400 . 5.000 3.484 1.872 4.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 53 VAL H 1 53 VAL HA 2.900 . 4.000 2.841 2.729 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 53 VAL H 1 53 VAL HB 2.900 . 4.000 2.503 2.296 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 53 VAL H 1 53 VAL QG 2.900 . 4.000 2.172 1.807 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 53 VAL H 1 54 PHE QB 3.400 . 5.000 4.386 3.914 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 53 VAL HA 1 53 VAL HB 2.900 . 4.000 3.022 2.981 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 53 VAL HA 1 53 VAL QG 2.900 . 4.000 2.064 2.034 2.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 53 VAL HA 1 54 PHE H 2.900 . 4.000 3.527 3.291 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 53 VAL HA 1 56 LYS H 2.900 . 4.000 3.678 3.004 4.007 0.007 19 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 53 VAL HA 1 56 LYS QB 3.400 . 5.000 3.428 2.312 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 53 VAL HA 1 56 LYS QB 2.900 . 4.000 3.307 2.310 4.027 0.027 20 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 53 VAL HA 1 57 LYS QD 2.900 . 4.000 3.701 3.113 4.030 0.030 10 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 53 VAL HA 1 57 LYS QE 3.400 . 5.000 4.579 3.634 5.017 0.017 37 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 53 VAL HA 1 57 LYS QG 3.400 . 5.000 4.663 2.799 5.026 0.026 28 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 53 VAL HB 1 54 PHE H 3.400 . 4.000 2.515 1.812 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 53 VAL HB 1 54 PHE HA 3.400 . 5.000 4.330 3.785 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 53 VAL HB 1 54 PHE QB 2.900 . 4.000 3.922 3.575 4.050 0.050 25 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 53 VAL HB 1 54 PHE QD 3.900 . 6.000 5.139 3.574 5.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 53 VAL QG 1 54 PHE H 3.400 . 5.000 3.051 2.227 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 53 VAL QG 1 54 PHE HA 3.400 . 5.000 3.440 2.969 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 53 VAL QG 1 54 PHE QB 3.400 . 5.000 3.899 3.385 4.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 53 VAL QG 1 54 PHE QD 3.900 . 6.000 4.825 3.541 5.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 53 VAL QG 1 56 LYS QE 3.900 . 6.000 4.251 2.090 5.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 53 VAL QG 1 56 LYS QG 2.900 . 4.000 3.747 3.113 4.033 0.033 33 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 53 VAL QG 1 57 LYS H 3.400 . 5.000 4.257 3.549 5.021 0.021 25 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 53 VAL QG 1 57 LYS QB 3.900 . 6.000 4.042 2.989 5.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 53 VAL QG 1 57 LYS QE 3.400 . 5.000 2.618 1.973 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 54 PHE H 1 54 PHE HA 2.900 . 4.000 2.833 2.705 2.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 54 PHE H 1 54 PHE QB 2.900 . 4.000 2.141 2.048 2.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 54 PHE H 1 54 PHE QD 3.400 . 5.000 3.545 2.463 4.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 54 PHE HA 1 54 PHE QB 2.300 . 2.800 2.277 2.155 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 54 PHE HA 1 54 PHE QD 3.400 . 5.000 3.014 2.449 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 54 PHE HA 1 57 LYS QB 3.400 . 5.000 3.576 2.379 5.012 0.012 28 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 54 PHE HA 1 57 LYS QD 3.400 . 5.000 3.784 2.323 5.018 0.018 10 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 54 PHE QD 1 55 ARG QG 3.900 . 6.000 4.390 2.369 6.021 0.021 1 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 54 PHE QE 1 58 GLY QA 3.900 . 6.000 5.491 4.066 6.020 0.020 25 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 55 ARG H 1 55 ARG HA 2.900 . 4.000 2.905 2.825 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 55 ARG H 1 55 ARG QB 2.900 . 4.000 2.282 2.055 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 55 ARG H 1 55 ARG QD 3.400 . 5.000 4.362 2.723 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 55 ARG H 1 55 ARG QG 2.900 . 4.000 3.497 2.393 4.070 0.070 37 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 55 ARG H 1 56 LYS H 2.900 . 4.000 2.490 1.788 2.883 0.012 27 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 55 ARG H 1 56 LYS QB 3.400 . 5.000 4.421 3.959 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 55 ARG HA 1 55 ARG QD 2.900 . 4.000 3.207 2.317 4.050 0.050 39 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 55 ARG HA 1 55 ARG QG 2.900 . 4.000 2.349 2.136 3.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 55 ARG HA 1 56 LYS H 3.400 . 4.000 3.557 3.394 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 55 ARG HA 1 56 LYS QB 3.400 . 5.000 4.825 4.365 5.095 0.095 14 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 55 ARG QB 1 55 ARG QD 2.900 . 4.000 2.280 2.113 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 55 ARG QB 1 55 ARG HE 2.900 . 4.000 3.069 1.931 4.147 0.147 31 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 55 ARG QB 1 55 ARG QG 2.300 . 2.800 2.052 2.006 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 55 ARG QB 1 56 LYS H 3.400 . 5.000 2.367 1.873 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 55 ARG QD 1 55 ARG QH 2.900 . 4.000 1.831 1.781 1.917 0.019 37 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 55 ARG HE 1 55 ARG QG 2.900 . 4.000 2.635 2.097 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 55 ARG HE 1 55 ARG QH 2.900 . 4.000 2.206 2.205 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 55 ARG HE 1 58 GLY QA 3.400 . 5.000 4.854 3.435 5.018 0.018 37 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 55 ARG QG 1 55 ARG QH 3.400 . 5.000 2.979 2.218 3.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 55 ARG QG 1 56 LYS H 3.400 . 5.000 3.912 2.847 4.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 56 LYS H 1 56 LYS HA 2.900 . 4.000 2.768 2.712 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 56 LYS H 1 56 LYS QB 2.300 . 2.800 2.448 2.059 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 56 LYS H 1 56 LYS QD 2.900 . 4.000 3.635 2.199 4.009 0.009 40 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 56 LYS H 1 56 LYS QG 2.900 . 4.000 2.323 1.802 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 56 LYS HA 1 56 LYS QD 3.400 . 5.000 3.209 2.209 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 56 LYS HA 1 56 LYS QG 2.900 . 4.000 2.733 2.294 3.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 56 LYS HA 1 57 LYS H 2.900 . 4.000 3.531 3.363 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 56 LYS HA 1 58 GLY QA 3.400 . 5.000 4.974 4.720 5.046 0.046 28 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 56 LYS QB 1 56 LYS QE 3.400 . 5.000 3.097 2.072 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 56 LYS QB 1 56 LYS QG 2.300 . 2.800 2.067 2.022 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 56 LYS QD 1 56 LYS QE 2.300 . 2.800 2.059 1.988 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 56 LYS QD 1 56 LYS QG 2.300 . 2.800 2.070 2.017 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 56 LYS QE 1 56 LYS QG 2.900 . 4.000 2.240 2.096 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 57 LYS H 1 57 LYS HA 2.900 . 4.000 2.893 2.823 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 57 LYS H 1 57 LYS QB 2.900 . 4.000 2.454 2.190 2.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 57 LYS H 1 57 LYS QD 2.900 . 4.000 2.931 1.777 3.984 0.023 28 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 57 LYS H 1 57 LYS QE 3.400 . 5.000 4.302 3.732 5.001 0.001 9 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 57 LYS H 1 57 LYS QG 2.900 . 4.000 2.445 1.799 3.415 0.001 25 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 57 LYS H 1 58 GLY H 2.900 . 4.000 3.309 3.040 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 57 LYS HA 1 57 LYS QB . . 2.800 2.353 2.171 2.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 57 LYS HA 1 57 LYS QD 2.900 . 4.000 3.679 2.267 4.089 0.089 14 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 57 LYS HA 1 57 LYS QE 3.400 . 5.000 4.493 4.140 5.000 0.000 16 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 57 LYS HA 1 57 LYS QG 2.900 . 4.000 2.564 2.230 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 57 LYS HA 1 58 GLY H 2.300 . 2.800 2.734 2.447 2.839 0.039 19 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 57 LYS QB 1 57 LYS QE 2.900 . 4.000 3.016 1.993 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 57 LYS QB 1 58 GLY H 2.900 . 4.000 3.901 3.840 4.035 0.035 14 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 57 LYS QD 1 57 LYS QG 2.300 . 2.800 2.069 2.010 2.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 57 LYS QE 1 57 LYS QG . . 2.800 2.272 2.093 2.820 0.020 27 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 57 LYS QG 1 58 GLY H 3.400 . 5.000 4.381 3.615 4.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 58 GLY H 1 58 GLY QA . . 2.800 2.249 2.195 2.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 58 GLY H 1 59 HIS H 2.900 . 4.000 3.419 2.303 4.011 0.011 19 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 58 GLY QA 1 59 HIS H . . 2.800 2.440 2.120 2.808 0.008 10 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 59 HIS H 1 59 HIS HA 2.900 . 4.000 2.891 2.303 2.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 59 HIS H 1 59 HIS QB . . 2.800 2.487 2.047 2.846 0.046 36 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 59 HIS H 1 59 HIS HD2 2.900 . 4.000 3.582 2.585 4.004 0.004 17 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 59 HIS H 1 60 HIS H 2.300 . 2.800 2.588 1.832 2.824 0.024 35 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 59 HIS HA 1 59 HIS QB 2.300 . 2.800 2.408 2.214 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 59 HIS HA 1 59 HIS HD2 3.400 . 5.000 3.505 2.416 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 59 HIS QB 1 59 HIS HD2 3.400 . 5.000 2.918 2.682 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 59 HIS QB 1 60 HIS HA 2.900 . 4.000 3.916 3.667 4.155 0.155 39 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 60 HIS H 1 60 HIS HA 2.300 . 2.800 2.600 2.296 2.933 0.133 15 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 60 HIS H 1 60 HIS QB 2.300 . 2.800 2.546 2.053 2.872 0.072 16 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 61 HIS H 1 61 HIS QB 2.300 . 2.800 2.458 2.049 2.925 0.125 40 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 61 HIS H 1 61 HIS HD2 2.900 . 4.000 3.203 1.851 4.004 0.004 15 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 61 HIS HA 1 61 HIS QB 2.300 . 2.800 2.382 2.158 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 62 HIS H 1 62 HIS HA 2.300 . 2.800 2.749 2.311 2.887 0.087 15 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 62 HIS H 1 62 HIS QB 2.300 . 2.800 2.440 2.056 2.810 0.010 5 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 62 HIS H 1 62 HIS HD2 3.400 . 5.000 3.971 2.089 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 62 HIS HA 1 62 HIS QB 2.300 . 2.800 2.372 2.169 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 62 HIS HA 1 62 HIS HD2 3.400 . 5.000 3.550 2.386 4.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 62 HIS QB 1 62 HIS HD2 2.900 . 4.000 2.890 2.687 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 63 HIS H 1 63 HIS HA 2.300 . 2.800 2.775 2.316 2.880 0.080 25 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 63 HIS H 1 63 HIS QB 2.300 . 2.800 2.422 2.052 2.816 0.016 25 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 63 HIS H 1 63 HIS HD2 3.400 . 5.000 4.119 1.854 5.003 0.003 10 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 63 HIS HA 1 63 HIS QB 2.300 . 2.800 2.374 2.158 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 63 HIS HA 1 64 HIS H 2.300 . 2.800 2.345 2.148 2.805 0.005 37 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 63 HIS QB 1 63 HIS HD2 2.900 . 4.000 2.890 2.681 3.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 64 HIS H 1 64 HIS HA . . 2.800 2.666 2.295 2.838 0.038 1 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 64 HIS H 1 64 HIS QB 2.900 . 4.000 2.643 2.069 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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