NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387949 |
1mph   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mph
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 1115
_Distance_constraint_stats_list.Viol_count 4629
_Distance_constraint_stats_list.Viol_total 21874.375
_Distance_constraint_stats_list.Viol_max 0.913
_Distance_constraint_stats_list.Viol_rms 0.0446
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0945
_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 2 GLU 21.108 0.875 48 13 "[ . *1 .* *2* .* 3** * 4 -.**+ *]"
1 3 GLY 8.028 0.473 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 PHE 14.951 0.675 16 5 "[ . *- .+ 2 .* 3 . 4 * . 5]"
1 5 LEU 8.698 0.178 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 ASN 36.058 0.498 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 ARG 1.074 0.093 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 LYS 7.359 0.572 26 2 "[ . 1 . 2 .+ 3 - 4 . 5]"
1 9 HIS 14.852 0.470 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 GLU 3.160 0.238 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 TRP 4.904 0.229 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 GLU 2.821 0.174 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 ALA 1.726 0.228 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 HIS 1.899 0.228 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 ASN 0.278 0.102 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 LYS 0.537 0.129 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 LYS 3.477 0.188 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 ALA 4.180 0.188 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 SER 1.829 0.245 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 SER 2.801 0.333 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 22 SER 5.027 0.570 21 1 "[ . 1 . 2+ . 3 . 4 . 5]"
1 23 TRP 18.951 0.570 21 1 "[ . 1 . 2+ . 3 . 4 . 5]"
1 24 HIS 3.724 0.245 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 ASN 0.514 0.173 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 VAL 6.639 0.298 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 TYR 23.652 0.727 21 12 "[ . **- .* *2+ .* 3* * 4 * .* *]"
1 28 CYS 1.361 0.847 34 1 "[ . 1 . 2 . 3 +. 4 . 5]"
1 29 VAL 2.682 0.087 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 ILE 1.889 0.163 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 ASN 4.647 0.804 45 3 "[ . 1 . 2 - 3 . 4* + 5]"
1 32 ASN 3.984 0.804 45 3 "[ . 1 . 2 - 3 . 4* + 5]"
1 34 GLU 18.348 0.717 22 20 "[* * ** * * ** . - ***+ *. *3 **. *4* . *5]"
1 35 MET 3.775 0.117 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 GLY 2.123 0.102 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 PHE 6.288 0.362 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 TYR 3.939 0.819 28 2 "[ . - . 2 . + 3 . 4 . 5]"
1 39 LYS 6.909 0.913 13 2 "[ . 1 + . 2 . 3 . -4 . 5]"
1 40 ASP 4.434 0.271 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 ALA 2.042 0.102 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 LYS 0.029 0.025 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 SER 2.951 0.151 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 ALA 1.025 0.109 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 ALA 0.001 0.001 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 SER 0.018 0.012 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 ILE 11.018 0.356 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 TYR 8.886 0.913 13 4 "[ . * + . 2 . * 3 . -4 . 5]"
1 51 HIS 1.984 0.210 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 SER 1.724 0.511 31 1 "[ . 1 . 2 . 3+ . 4 . 5]"
1 53 GLU 3.548 0.511 31 1 "[ . 1 . 2 . 3+ . 4 . 5]"
1 54 VAL 6.140 0.259 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 PRO 0.678 0.259 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 VAL 5.731 0.362 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 SER 22.285 0.729 13 2 "[ . 1 + . 2 . 3 . - . 5]"
1 58 LEU 1.999 0.094 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 59 LYS 7.439 0.361 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 60 GLU 0.309 0.166 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 61 ALA 2.744 0.231 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 62 ILE 11.044 0.684 12 9 "[ *- . 1 + . 2 . 3* * .* * . **5]"
1 63 CYS 6.078 0.345 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 64 GLU 1.594 0.093 5 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 65 VAL 12.341 0.431 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 66 ALA 3.991 0.683 36 1 "[ . 1 . 2 . 3 .+ 4 . 5]"
1 67 LEU 3.808 0.199 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 68 ASP 1.092 0.199 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 69 TYR 15.267 0.683 36 3 "[ . 1 . 2 .* 3 -+ 4 . 5]"
1 70 LYS 7.547 0.315 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 71 LYS 2.822 0.217 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 72 LYS 5.656 0.217 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 73 LYS 9.979 0.415 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 74 HIS 6.523 0.415 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 75 VAL 5.376 0.505 36 1 "[ . 1 . 2 . 3 .+ 4 . 5]"
1 76 PHE 7.519 0.144 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 LYS 8.366 0.225 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 LEU 16.252 0.279 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 79 ARG 9.542 0.616 42 9 "[ * . 1 **. * 2 - . 3* .* * + . 5]"
1 80 LEU 30.868 0.439 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 81 SER 13.004 0.623 13 10 "[ - *. 1 *+ . 2* . ** . * 4 * *. 5]"
1 82 ASP 2.799 0.191 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 GLY 1.477 0.082 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 84 ASN 3.437 0.221 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 85 GLU 11.793 0.475 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 86 TYR 15.137 0.470 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 87 LEU 4.497 0.634 49 2 "[ . 1 . 2 . 3 . - 4 . +5]"
1 88 PHE 5.576 0.130 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 89 GLN 12.956 0.459 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 90 ALA 2.491 0.105 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 91 LYS 22.344 0.636 26 1 "[ . 1 . 2 .+ 3 . 4 . 5]"
1 92 ASP 5.320 0.225 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 94 GLU 10.261 0.769 25 14 "[ * * 1 .* 2** + -* * . **4 ** . *]"
1 95 GLU 10.271 0.769 25 14 "[ * * 1 .* 2** + -* * . **4 ** . *]"
1 96 MET 1.124 0.118 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 97 ASN 0.904 0.241 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 98 THR 0.017 0.013 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 99 TRP 5.940 0.847 34 1 "[ . 1 . 2 . 3 +. 4 . 5]"
1 100 ILE 11.314 0.431 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 GLN 0.030 0.018 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 102 ALA 1.012 0.059 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 103 ILE 8.660 0.293 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 104 SER 0.544 0.293 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 105 SER 0.059 0.046 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 106 ALA 3.060 0.242 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 2 GLU HA 1 27 TYR QE 4.500 . 6.500 4.238 3.030 5.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 2 GLU HA 1 29 VAL HB 4.500 . 6.500 5.351 4.862 5.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 2 GLU HA 1 99 TRP HZ2 3.500 . 4.900 4.314 3.673 4.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 2 GLU HA 1 99 TRP HZ3 4.500 . 6.500 4.349 3.478 4.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 3 GLY HA2 1 4 PHE H 2.100 . 2.500 2.534 2.407 2.763 0.263 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 4 PHE HB2 1 5 LEU H 3.000 . 4.000 4.085 4.013 4.178 0.178 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 4 PHE QD 1 25 ASN HA 4.500 . 6.500 4.679 3.967 5.087 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 26 VAL QG 1 37 PHE HA 4.000 . 5.700 3.121 2.742 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 4 PHE HA 1 27 TYR QD 3.500 . 4.900 3.237 2.677 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 4 PHE QE 1 27 TYR HB2 4.000 . 5.700 2.992 2.838 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 5 LEU HB2 1 6 ASN H 3.500 . 4.900 4.214 3.965 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 5 LEU HG 1 6 ASN H 4.500 . 6.500 4.543 4.353 4.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 5 LEU H 1 26 VAL H 3.000 . 4.000 3.263 2.828 3.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 5 LEU H 1 27 TYR HA 3.500 . 4.900 3.372 3.187 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 5 LEU HB3 1 37 PHE QE 4.500 . 6.500 5.452 4.884 6.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 5 LEU MD1 1 37 PHE QE 4.500 . 6.500 4.652 4.136 5.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 5 LEU HG 1 76 PHE HZ 3.500 . 4.900 4.881 4.665 5.002 0.102 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 5 LEU HA 1 88 PHE QE 4.500 . 6.500 6.008 5.807 6.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 5 LEU HB2 1 88 PHE QD 3.000 . 4.000 3.547 2.982 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 5 LEU HB2 1 88 PHE QE 3.000 . 4.000 3.934 3.502 4.079 0.079 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 5 LEU HB3 1 88 PHE QE 3.500 . 4.900 3.425 3.214 3.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 5 LEU MD2 1 88 PHE HA 4.500 . 6.500 3.874 3.423 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 5 LEU MD1 1 88 PHE QD 3.000 . 4.000 2.542 2.284 2.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 5 LEU MD1 1 88 PHE QE 4.000 . 5.700 3.415 3.129 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 5 LEU HA 1 90 ALA HA 3.000 . 4.000 3.859 3.409 4.049 0.049 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 5 LEU HB2 1 99 TRP HZ2 5.000 . 7.300 4.655 4.342 5.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 35 MET QB 1 99 TRP HZ3 5.000 . 7.300 5.031 4.479 5.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 5 LEU HB3 1 76 PHE QE 5.000 . 7.300 5.257 4.857 5.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 5 LEU HB3 1 99 TRP HZ2 5.000 . 7.300 5.861 5.611 6.332 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 5 LEU MD2 1 99 TRP HZ2 4.000 . 5.700 4.388 3.984 4.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 5 LEU MD1 1 99 TRP HZ3 4.500 . 6.500 3.698 3.273 4.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 5 LEU HG 1 99 TRP HZ3 4.500 . 6.500 5.700 5.171 6.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 6 ASN HB3 1 7 ARG H 3.500 . 4.900 3.737 3.246 4.079 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 6 ASN HA 1 23 TRP HZ3 3.000 . 4.000 4.226 4.154 4.318 0.318 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 6 ASN HB3 1 89 GLN H 4.500 . 6.500 3.235 2.499 4.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 7 ARG QB 1 8 LYS H 3.500 . 4.900 3.687 3.516 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 7 ARG H 1 24 HIS H 3.000 . 4.000 3.050 2.602 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 7 ARG HA 1 88 PHE QE 3.000 . 4.000 3.803 3.351 4.059 0.059 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 8 LYS HA 1 9 HIS H 2.100 . 2.500 2.181 2.128 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 8 LYS HB3 1 87 LEU HB3 4.500 . 6.500 3.687 2.842 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 8 LYS H 1 88 PHE HA 3.500 . 4.900 3.926 3.548 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 9 HIS HD2 1 11 TRP H 4.500 . 6.500 6.410 5.673 6.729 0.229 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 9 HIS HA 1 18 ALA MB 4.500 . 6.500 4.533 3.815 5.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 9 HIS QB 1 18 ALA MB 4.000 . 4.100 3.034 1.774 4.062 0.126 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 9 HIS HA 1 86 TYR HA 2.200 . 2.700 2.460 2.103 2.842 0.142 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 9 HIS HD2 1 86 TYR HA 5.000 . 7.300 6.158 4.573 6.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 9 HIS HE1 1 86 TYR QE 4.500 . 6.500 5.801 3.233 6.529 0.029 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 11 TRP HD1 1 16 LYS HA 4.000 . 5.700 4.332 2.532 5.829 0.129 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 11 TRP HH2 1 12 GLU HA 4.500 . 6.500 6.153 4.759 6.589 0.089 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 11 TRP HD1 1 16 LYS H 4.000 . 5.700 4.209 2.052 5.674 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 11 TRP HD1 1 17 LYS HA 3.000 . 4.000 3.179 2.359 4.140 0.140 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 11 TRP QB 1 13 ALA H 4.000 . 5.700 4.907 4.330 5.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 11 TRP QB 1 85 GLU H 4.500 . 4.700 3.460 2.881 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 12 GLU QB 1 13 ALA H 3.500 . 4.900 3.641 2.358 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 13 ALA HA 1 14 HIS HD2 4.500 . 6.500 5.256 3.604 6.668 0.168 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 14 HIS HA 1 15 ASN H 3.500 . 4.900 2.890 2.129 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 14 HIS QB 1 15 ASN H 3.000 . 4.000 3.023 1.763 4.056 0.056 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 16 LYS HA 1 17 LYS H 3.500 . 4.900 2.807 2.098 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 17 LYS QB 1 18 ALA H 3.500 . 4.900 2.534 1.789 3.994 0.011 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 19 SER HA 1 20 SER H 4.000 . 5.700 2.931 2.161 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 19 SER QB 1 20 SER H 4.000 . 5.700 3.382 1.871 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 22 SER HA 1 23 TRP H 2.200 . 2.700 2.305 2.085 2.930 0.230 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 22 SER HB2 1 23 TRP H 3.500 . 4.900 4.013 2.108 4.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 22 SER HB3 1 23 TRP H 3.000 . 4.000 3.483 1.902 4.570 0.570 21 1 "[ . 1 . 2+ . 3 . 4 . 5]" 1
65 1 23 TRP HB2 1 24 HIS H 4.000 . 5.700 4.570 4.247 4.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 23 TRP HZ2 1 75 VAL MG1 3.500 . 4.900 3.024 2.569 3.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 23 TRP HZ2 1 75 VAL MG2 3.500 . 4.900 3.464 2.933 4.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
68 1 23 TRP HZ3 1 75 VAL MG1 3.500 . 4.900 4.178 3.892 4.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 23 TRP HZ3 1 75 VAL MG2 3.500 . 4.900 4.460 4.004 4.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 23 TRP HZ3 1 87 LEU QD 4.500 . 6.500 5.302 5.040 5.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 23 TRP HZ3 1 89 GLN QG 4.500 . 6.500 4.413 3.357 4.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 24 HIS QB 1 25 ASN H 4.500 . 4.800 3.431 2.722 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 26 VAL QG 1 27 TYR H 3.500 . 3.800 2.108 1.954 2.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 26 VAL QG 1 37 PHE QD 3.000 2.300 3.100 2.256 2.002 2.714 0.298 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 26 VAL QG 1 37 PHE QE 4.500 . 4.800 3.216 2.747 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 26 VAL QG 1 39 LYS H 5.000 . 7.300 4.644 4.384 4.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 27 TYR QD 1 29 VAL HB 3.500 . 4.900 4.632 4.376 4.926 0.026 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 27 TYR QD 1 29 VAL MG1 3.500 . 4.900 4.767 4.523 4.946 0.046 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 27 TYR QE 1 29 VAL MG1 3.500 . 4.900 4.095 3.766 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 27 TYR QD 1 40 ASP QB 5.000 . 7.300 3.835 3.586 4.105 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 27 TYR QD 1 41 ALA HA 4.000 . 5.700 3.829 3.485 4.070 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 27 TYR QD 1 41 ALA MB 4.500 . 6.500 4.114 3.781 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 28 CYS HB3 1 29 VAL H 3.000 . 4.000 3.115 2.962 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 29 VAL HB 1 30 ILE H 4.000 . 5.700 4.279 4.039 4.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 29 VAL MG2 1 30 ILE H 4.000 . 5.700 4.120 3.895 4.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 29 VAL MG1 1 31 ASN H 4.000 . 5.700 4.477 3.903 5.051 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 30 ILE HB 1 31 ASN H 3.500 . 4.900 4.060 3.769 4.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 30 ILE HA 1 35 MET HA 2.200 . 2.700 2.369 2.092 2.743 0.043 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 34 GLU HA 1 35 MET H 2.200 . 2.700 2.331 2.165 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 34 GLU HA 1 57 SER HA 2.200 . 2.700 2.356 2.076 2.761 0.061 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 35 MET HA 1 36 GLY H 2.100 . 2.500 2.254 2.139 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 35 MET HG2 1 36 GLY H 4.000 . 5.700 4.813 4.486 5.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 36 GLY HA2 1 37 PHE H 2.100 . 2.500 2.172 2.135 2.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 36 GLY HA3 1 38 TYR QE 3.000 . 4.000 2.557 2.203 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 36 GLY HA3 1 55 PRO HA 3.000 . 4.000 3.880 3.257 4.046 0.046 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 36 GLY HA2 1 55 PRO HA 2.300 . 2.800 2.674 2.345 2.859 0.059 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 36 GLY HA3 1 56 VAL H 3.500 . 4.900 4.853 4.207 4.963 0.063 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 36 GLY HA2 1 56 VAL H 4.000 . 5.700 3.373 2.948 3.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 37 PHE QB 1 38 TYR H 3.000 . 4.000 3.452 3.119 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 37 PHE QD 1 56 VAL HB 3.000 . 4.000 3.941 3.529 4.078 0.078 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 38 TYR QD 1 43 SER HA 4.000 . 5.700 4.691 4.124 5.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 38 TYR QE 1 43 SER HA 4.500 . 6.500 6.071 5.401 6.517 0.017 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 38 TYR HA 1 50 TYR H 3.500 . 4.900 3.520 2.932 4.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 38 TYR QE 1 50 TYR H 4.500 . 6.500 5.089 4.079 5.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 38 TYR QE 1 47 GLY HA2 3.500 . 4.900 2.698 2.203 3.167 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 39 LYS HA 1 40 ASP H 3.500 . 4.900 3.553 3.517 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 39 LYS QB 1 40 ASP H . . 3.600 2.498 2.159 2.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 39 LYS H 1 43 SER HA 3.500 . 4.900 4.943 4.636 5.051 0.151 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 39 LYS HA 1 50 TYR QD 3.500 . 4.900 3.404 2.080 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 39 LYS HA 1 50 TYR QE 3.000 . 4.000 3.680 2.666 4.091 0.091 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 39 LYS HD2 1 50 TYR QE 4.000 . 5.700 3.287 2.140 5.796 0.096 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 39 LYS H 1 50 TYR HA 4.500 . 6.500 4.976 3.779 5.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 40 ASP HA 1 41 ALA H 3.500 . 4.900 2.722 2.649 2.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 40 ASP QB 1 41 ALA H 2.500 . 3.200 2.029 1.831 2.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 40 ASP H 1 43 SER HA 4.000 . 5.700 4.671 4.437 4.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 41 ALA HA 1 42 LYS H 3.500 . 4.900 3.551 3.508 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 42 LYS QB 1 43 SER H 3.000 . 4.000 2.528 2.341 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 42 LYS H 1 43 SER H 3.000 . 4.000 2.619 2.491 2.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 42 LYS HA 1 45 ALA MB 3.500 . 4.900 2.710 2.401 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 43 SER HA 1 46 SER H 4.000 . 5.700 3.813 3.468 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 38 TYR HB3 1 44 ALA H 4.000 . 5.700 3.378 3.190 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 44 ALA HA 1 45 ALA H 3.500 . 4.900 3.548 3.513 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 44 ALA H 1 45 ALA H 4.000 . 5.700 2.573 2.470 2.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 45 ALA HA 1 46 SER H 4.000 . 5.700 3.563 3.520 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 46 SER HA 1 47 GLY H 3.500 . 4.900 3.519 3.405 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 46 SER QB 1 47 GLY H 3.500 . 4.900 2.765 2.219 3.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 47 GLY HA2 1 48 ILE H 3.500 . 4.900 2.621 2.468 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 47 GLY HA3 1 48 ILE H 3.500 . 4.900 3.561 3.535 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 48 ILE HA 1 49 PRO HD2 2.200 . 2.700 2.190 2.049 2.359 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 48 ILE MD 1 49 PRO HD2 4.500 . 6.500 4.775 3.094 5.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 48 ILE MG 1 49 PRO HD3 3.500 . 4.900 3.594 3.265 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 50 TYR HA 1 51 HIS H 3.000 . 4.000 3.040 2.113 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 51 HIS QB 1 52 SER H 4.000 . 4.000 2.193 1.609 3.099 0.191 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 52 SER HA 1 53 GLU H 3.500 . 4.900 3.305 2.099 3.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 52 SER H 1 53 GLU H 3.000 . 4.000 2.870 1.963 4.511 0.511 31 1 "[ . 1 . 2 . 3+ . 4 . 5]" 1
136 1 53 GLU H 1 54 VAL H 4.000 . 5.700 3.791 2.511 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 54 VAL HB 1 55 PRO HD2 4.000 . 5.700 3.456 2.297 5.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 54 VAL HB 1 55 PRO HD3 3.000 . 4.000 2.075 1.837 4.259 0.259 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 56 VAL MG2 1 57 SER H 3.000 . 4.000 3.843 2.606 4.082 0.082 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 56 VAL MG1 1 57 SER H 2.100 . 2.500 2.441 2.172 2.663 0.163 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 56 VAL MG1 1 86 TYR QE 4.500 . 6.500 3.375 2.646 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 57 SER HB3 1 58 LEU H 4.000 . 5.700 3.281 2.697 4.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 58 LEU HG 1 59 LYS H 3.500 . 4.900 4.729 3.561 4.994 0.094 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 59 LYS QE 1 60 GLU H 4.000 . 5.700 5.206 3.912 5.866 0.166 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 61 ALA MB 1 62 ILE H 3.000 . 4.000 3.135 2.643 3.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 61 ALA HA 1 80 LEU H 4.500 . 6.500 5.196 4.602 5.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 62 ILE MG 1 63 CYS H 2.000 . 2.300 2.375 2.312 2.432 0.132 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 62 ILE HB 1 79 ARG H 3.500 . 4.900 3.505 3.102 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 63 CYS HB2 1 64 GLU H 4.500 . 6.500 4.360 3.729 4.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 63 CYS HA 1 78 LEU HB2 4.500 . 6.500 4.753 4.118 5.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 63 CYS HA 1 78 LEU QD . . 3.800 2.914 2.589 3.357 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 64 GLU H 1 78 LEU HA 3.500 . 4.900 3.880 3.677 4.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 66 ALA MB 1 67 LEU H 3.000 . 4.000 3.624 3.336 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 67 LEU HB2 1 68 ASP H 3.500 . 4.900 3.604 2.818 4.213 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 67 LEU HB3 1 68 ASP H 3.500 . 4.900 3.107 2.109 4.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 67 LEU HA 1 74 HIS HD2 4.500 . 6.500 4.879 2.846 6.677 0.177 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 68 ASP HA 1 69 TYR H 3.500 . 4.900 2.708 2.272 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 68 ASP QB 1 69 TYR H 3.500 . 4.900 3.942 2.455 4.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 69 TYR QD 1 87 LEU HG 4.500 . 6.500 5.994 4.707 6.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 69 TYR QE 1 87 LEU HG 4.500 . 6.500 4.928 4.541 5.628 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 69 TYR QE 1 87 LEU QD . . 4.300 2.434 2.084 2.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 70 LYS QB 1 71 LYS H 4.500 . 6.500 2.965 1.784 4.004 0.016 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 71 LYS QB 1 72 LYS H 3.500 . 4.900 3.027 1.702 4.076 0.098 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 71 LYS QD 1 72 LYS H 4.000 . 5.700 4.623 3.055 5.770 0.070 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 71 LYS QE 1 72 LYS H 4.500 . 6.500 5.512 3.445 6.522 0.022 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 72 LYS QB 1 73 LYS H 4.500 . 6.500 3.075 1.837 4.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 73 LYS HA 1 74 HIS H 3.000 . 4.000 3.095 1.999 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 73 LYS QB 1 74 HIS H 4.000 . 5.700 2.293 1.705 4.058 0.095 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 73 LYS QD 1 74 HIS H 3.500 . 4.900 4.117 2.576 4.965 0.065 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 73 LYS H 1 74 HIS H 3.000 . 4.000 3.497 1.754 4.415 0.415 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 75 VAL HB 1 76 PHE H 3.500 . 4.900 3.791 3.535 4.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 75 VAL MG2 1 76 PHE H 3.000 . 4.000 3.887 3.691 4.048 0.048 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 75 VAL MG1 1 89 GLN HA 4.000 . 5.700 3.154 2.608 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 75 VAL HA 1 90 ALA H 4.000 . 5.700 3.266 2.887 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 76 PHE QD 1 77 LYS HA 3.500 . 4.900 4.454 4.185 4.819 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 76 PHE HZ 1 88 PHE HB2 4.000 . 5.700 3.067 2.919 3.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 76 PHE HZ 1 88 PHE QD 4.500 . 6.500 3.861 3.620 4.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 76 PHE QD 1 96 MET QB 4.000 . 5.700 4.020 3.581 4.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 77 LYS QB 1 78 LEU H 4.000 . 5.700 3.438 2.585 3.966 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 77 LYS QG 1 78 LEU H 4.000 . 5.700 3.637 2.007 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 77 LYS HA 1 88 PHE H 3.500 . 4.900 3.471 2.928 3.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 78 LEU H 1 87 LEU HA 3.500 . 4.900 3.274 2.916 3.738 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 78 LEU H 1 87 LEU HG 4.000 . 5.700 5.545 4.871 5.777 0.077 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 79 ARG HA 1 86 TYR H 3.500 . 4.900 3.583 3.063 3.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 80 LEU QB 1 81 SER H . . 3.300 2.586 1.702 3.249 0.098 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 80 LEU HG 1 82 ASP H 4.000 . 5.700 5.467 4.704 5.827 0.127 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 80 LEU QD 1 86 TYR QD 3.500 . 4.900 3.061 1.910 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 80 LEU HG 1 86 TYR QD 3.500 . 4.900 3.658 2.632 4.718 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 81 SER HB2 1 82 ASP H 3.500 . 4.900 3.561 2.561 4.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 81 SER HB3 1 82 ASP H 3.500 . 4.900 4.099 2.400 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 83 GLY HA2 1 84 ASN H 4.000 . 5.700 3.135 2.360 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 83 GLY H 1 84 ASN H 3.000 . 4.000 2.728 1.890 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 85 GLU QB 1 86 TYR H 3.500 . 3.800 3.406 3.054 3.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 86 TYR QD 1 87 LEU H 3.500 . 4.900 4.011 3.589 4.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 86 TYR QB 1 88 PHE QD 3.000 . 4.000 3.356 2.974 3.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 86 TYR QB 1 88 PHE HZ 3.000 . 4.000 3.534 3.262 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 35 MET ME 1 88 PHE HZ 2.500 . 3.200 2.974 2.218 3.274 0.074 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 86 TYR QD 1 88 PHE QE 4.000 . 5.700 3.175 2.433 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 88 PHE HA 1 89 GLN H 2.200 . 2.700 2.153 2.106 2.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 88 PHE HB3 1 89 GLN H 3.500 . 4.900 3.303 2.882 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 88 PHE HB2 1 89 GLN H 4.000 . 5.700 4.309 4.068 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 89 GLN HA 1 90 ALA H 2.200 . 2.700 2.139 2.094 2.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 89 GLN QG 1 90 ALA H 3.500 . 4.900 2.719 2.297 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 90 ALA H 1 91 LYS H 3.500 . 4.900 4.540 4.486 4.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 91 LYS QE 1 92 ASP H 3.500 . 4.900 4.629 3.878 5.125 0.225 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 93 ASP HA 1 94 GLU H 4.000 . 5.700 3.541 3.487 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 93 ASP HB2 1 94 GLU H 3.500 . 4.900 3.740 1.879 4.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 94 GLU HB3 1 95 GLU H 3.500 . 4.900 3.303 2.446 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 94 GLU HA 1 97 ASN HB2 4.000 . 5.700 3.548 3.126 4.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 94 GLU HA 1 97 ASN HB3 4.000 . 5.700 3.119 2.677 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 95 GLU HB2 1 96 MET H 3.500 . 4.900 3.582 3.362 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 95 GLU HB3 1 96 MET H 3.000 . 4.000 2.503 2.318 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 95 GLU HA 1 98 THR HB 3.500 . 4.900 2.776 2.468 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 96 MET HA 1 97 ASN H 3.500 . 4.900 3.558 3.539 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 96 MET QB 1 97 ASN H 3.500 . 4.900 2.449 2.359 2.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 97 ASN HA 1 98 THR H 3.500 . 4.900 3.558 3.529 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 97 ASN HA 1 100 ILE HB 3.500 . 4.900 2.893 2.504 3.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 97 ASN HA 1 100 ILE H 3.000 . 4.000 3.715 3.474 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 98 THR HA 1 101 GLN QB 4.500 . 6.500 2.738 2.381 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 99 TRP HA 1 100 ILE H 4.000 . 5.700 3.574 3.560 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 99 TRP HB3 1 100 ILE H 3.500 . 4.900 3.155 3.035 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 30 ILE MG 1 99 TRP HE3 4.000 . 5.700 5.446 4.941 5.765 0.065 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 99 TRP H 1 100 ILE H 2.800 . 3.700 2.753 2.643 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 99 TRP HA 1 102 ALA MB 3.500 . 4.900 2.708 2.269 3.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 99 TRP HE3 1 102 ALA MB 4.000 . 5.700 3.401 2.860 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 100 ILE HA 1 101 GLN H 4.000 . 5.700 3.567 3.532 3.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 100 ILE HB 1 101 GLN H 3.500 . 4.900 2.632 2.350 2.786 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 100 ILE MD 1 101 GLN H 3.500 . 4.900 4.553 4.300 4.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 100 ILE H 1 101 GLN H 2.800 . 3.700 2.787 2.658 2.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 100 ILE HA 1 103 ILE HB 3.500 . 4.900 2.765 2.438 3.234 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 100 ILE HA 1 103 ILE H 3.000 . 4.000 3.660 3.476 3.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 101 GLN HA 1 102 ALA H 4.000 . 5.700 3.558 3.520 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 102 ALA HA 1 103 ILE H 4.500 . 6.500 3.540 3.504 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 103 ILE HA 1 106 ALA MB 4.000 . 5.700 3.651 2.349 5.748 0.048 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 103 ILE HA 1 106 ALA H 3.000 . 4.000 3.828 3.325 4.242 0.242 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 104 SER HB2 1 105 SER H 4.000 . 5.700 2.930 2.515 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 105 SER HA 1 106 ALA H 3.500 . 4.900 3.308 2.495 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 105 SER H 1 106 ALA H 2.800 . 3.700 2.623 2.211 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 76 PHE H 1 88 PHE H 2.800 2.400 3.200 2.924 2.591 3.206 0.006 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 64 GLU H 1 77 LYS H 2.700 2.300 3.100 3.094 2.860 3.185 0.085 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 35 MET H 1 56 VAL H 2.800 2.400 3.200 3.134 2.867 3.295 0.095 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 29 VAL H 1 36 GLY H 2.900 2.500 3.300 2.883 2.587 3.100 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 97 ASN H 1 98 THR H 2.600 2.200 3.000 2.685 2.489 2.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 94 GLU H 1 95 GLU H 2.500 2.100 2.900 2.633 2.467 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 103 ILE H 1 104 SER H 2.600 2.200 3.000 2.611 2.350 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 95 GLU H 1 96 MET H 2.700 2.300 3.100 2.684 2.553 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 96 MET H 1 97 ASN H 2.800 2.400 3.200 2.780 2.712 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 98 THR H 1 99 TRP H 3.000 2.500 3.500 2.714 2.626 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 67 LEU H 1 68 ASP H 2.700 2.300 3.100 2.548 2.101 3.236 0.199 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 102 ALA H 1 103 ILE H 2.700 2.300 3.100 2.658 2.486 2.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 82 ASP H 1 83 GLY H 2.600 2.200 3.000 2.607 2.118 3.068 0.082 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 81 SER H 1 82 ASP H 2.900 2.500 3.300 2.822 2.490 3.328 0.028 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 10 GLU H 1 11 TRP H 2.400 . 2.800 2.266 1.943 2.683 0.057 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 6 ASN H 1 89 GLN H 2.800 2.400 3.200 2.905 2.676 3.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 43 SER H 1 44 ALA H 2.800 2.400 3.200 2.632 2.486 2.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 104 SER H 1 105 SER H 2.700 2.300 3.100 2.602 2.287 2.734 0.013 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 91 LYS H 1 92 ASP H 2.600 2.200 3.000 2.358 2.103 2.646 0.097 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 60 GLU H 1 61 ALA H 2.800 2.400 3.200 2.823 2.632 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 4 PHE QD 1 5 LEU H 2.800 2.400 3.200 3.076 2.698 3.275 0.075 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 4 PHE H 1 4 PHE QD 2.800 2.400 3.200 3.060 2.797 3.266 0.066 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 99 TRP H 1 99 TRP HD1 3.100 2.600 3.600 3.399 3.208 3.608 0.008 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 38 TYR H 1 38 TYR QD 2.900 2.500 3.300 2.819 2.496 3.235 0.004 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 76 PHE H 1 76 PHE QD 2.800 2.400 3.200 3.028 2.726 3.226 0.026 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 23 TRP HE3 1 24 HIS H 3.300 2.800 3.800 3.575 2.936 3.857 0.057 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 3 GLY H 1 99 TRP HH2 2.700 2.300 3.100 2.880 2.483 3.156 0.056 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 23 TRP HZ3 1 89 GLN H 2.700 2.300 3.100 2.514 2.267 2.955 0.033 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 99 TRP HH2 1 99 TRP HZ3 2.500 2.100 2.900 2.458 2.450 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 38 TYR QE 1 48 ILE H 3.200 2.700 3.700 3.466 2.822 3.783 0.083 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 23 TRP HH2 1 23 TRP HZ3 2.500 2.100 2.900 2.464 2.450 2.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 63 CYS H 1 63 CYS HA 2.800 2.400 3.200 2.960 2.936 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 63 CYS HA 1 64 GLU H 2.200 . 2.500 2.157 2.096 2.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 85 GLU HA 1 86 TYR H 2.100 . 2.400 2.181 2.107 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 2 GLU HA 1 3 GLY H 2.300 . 2.600 2.282 2.170 2.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 2 GLU HA 1 99 TRP HH2 2.500 2.100 2.900 2.742 2.121 2.953 0.053 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 6 ASN HA 1 7 ARG H 2.200 . 2.500 2.176 2.135 2.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 27 TYR QD 1 38 TYR QD 3.300 2.800 3.800 3.199 2.828 3.816 0.016 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 4 PHE QE 1 27 TYR QD 3.200 2.700 3.700 3.038 2.760 3.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 4 PHE QD 1 27 TYR QD 3.300 2.800 3.800 3.116 2.971 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 75 VAL HA 1 76 PHE H 2.100 . 2.400 2.338 2.229 2.407 0.007 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 88 PHE H 1 88 PHE HA 2.900 2.500 3.300 2.958 2.940 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 76 PHE H 1 76 PHE HA 2.900 2.500 3.300 2.917 2.879 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 28 CYS HA 1 29 VAL H 2.200 . 2.500 2.167 2.123 2.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 28 CYS H 1 28 CYS HA 3.000 2.500 3.500 2.951 2.916 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 76 PHE HA 1 77 LYS H 2.300 . 2.600 2.170 2.089 2.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 66 ALA H 1 76 PHE HA 2.300 . 2.600 2.427 2.153 2.648 0.048 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 78 LEU H 1 78 LEU HA 2.700 2.300 3.100 2.946 2.911 2.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 78 LEU HA 1 79 ARG H 2.200 . 2.500 2.139 2.109 2.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 63 CYS HA 1 78 LEU HA 2.500 2.100 2.900 2.623 2.406 2.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 25 ASN HA 1 26 VAL H 2.100 . 2.400 2.181 2.122 2.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 6 ASN HA 1 25 ASN HA 2.200 . 2.500 2.340 2.096 2.574 0.074 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 77 LYS HA 1 78 LEU H 2.200 . 2.500 2.163 2.099 2.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 77 LYS H 1 77 LYS HA 2.900 2.500 3.300 2.927 2.901 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 79 ARG HA 1 80 LEU H 2.100 . 2.400 2.156 2.097 2.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 79 ARG HA 1 85 GLU HA 2.300 . 2.600 2.446 2.087 2.694 0.094 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 75 VAL HA 1 89 GLN HA 2.400 . 2.800 2.160 1.988 2.318 0.012 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 34 GLU H 1 34 GLU HA 3.100 2.600 3.600 2.940 2.884 2.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 37 PHE HA 1 38 TYR H 2.200 . 2.500 2.161 2.117 2.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 37 PHE H 1 37 PHE HA 2.900 2.500 3.300 2.952 2.930 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 37 PHE HA 1 37 PHE QD 2.500 2.100 2.900 2.537 2.168 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
300 1 4 PHE HA 1 28 CYS H 3.000 2.500 3.500 3.300 3.116 3.545 0.045 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
301 1 4 PHE HA 1 4 PHE QD 2.600 2.200 3.000 2.562 2.259 2.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 28 CYS HA 1 37 PHE HA 2.700 2.300 3.100 2.821 2.537 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 4 PHE HA 1 5 LEU H 2.200 . 2.500 2.213 2.160 2.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 86 TYR HA 1 87 LEU H 2.200 . 2.500 2.260 2.134 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 86 TYR HA 1 86 TYR QD 3.000 2.500 3.500 2.745 2.303 3.340 0.197 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 30 ILE HA 1 31 ASN H 2.100 . 2.400 2.174 2.112 2.273 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 30 ILE H 1 30 ILE HA 3.100 2.600 3.600 2.941 2.895 2.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 7 ARG H 1 7 ARG HA 2.900 2.500 3.300 2.966 2.951 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 7 ARG HA 1 8 LYS H 2.200 . 2.500 2.125 2.094 2.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
310 1 7 ARG HA 1 88 PHE HA 2.600 2.200 3.000 2.949 2.724 3.093 0.093 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 87 LEU HA 1 88 PHE H 2.200 . 2.500 2.183 2.091 2.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 77 LYS HA 1 87 LEU HA 2.600 2.200 3.000 2.471 2.182 2.910 0.018 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 64 GLU HA 1 65 VAL H 2.200 . 2.500 2.276 2.142 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 38 TYR HA 1 38 TYR QD 2.900 2.500 3.300 2.837 2.611 3.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 38 TYR HA 1 39 LYS H 2.500 2.100 2.900 2.524 2.407 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 38 TYR H 1 38 TYR HA 2.800 2.400 3.200 2.968 2.945 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 90 ALA HA 1 91 LYS H 2.400 . 2.800 2.427 2.320 2.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 24 HIS HA 1 25 ASN H 2.400 . 2.800 2.182 2.130 2.238 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
319 1 24 HIS H 1 24 HIS HA 3.000 2.500 3.500 2.955 2.905 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 66 ALA H 1 66 ALA HA 2.900 2.500 3.300 2.961 2.920 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 66 ALA HA 1 67 LEU H 2.300 . 2.600 2.291 2.087 2.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 80 LEU HA 1 81 SER H 2.400 . 2.800 2.360 2.151 2.830 0.030 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 31 ASN HA 1 32 ASN H 2.400 . 2.800 2.411 2.105 2.815 0.015 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 56 VAL HA 1 57 SER H 2.100 . 2.400 2.190 2.142 2.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 55 PRO HA 1 56 VAL H 2.200 . 2.500 2.199 2.138 2.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 48 ILE H 1 48 ILE HA 2.600 2.200 3.000 2.953 2.914 2.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 12 GLU H 1 12 GLU HA 3.000 2.500 3.500 2.898 2.755 2.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 23 TRP HA 1 24 HIS H 2.200 . 2.500 2.223 2.115 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
329 1 57 SER HA 1 58 LEU H 2.100 . 2.400 2.178 2.108 2.269 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
330 1 46 SER H 1 46 SER HA 2.500 2.100 2.900 2.862 2.759 2.912 0.012 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
331 1 29 VAL HA 1 30 ILE H 2.200 . 2.500 2.181 2.130 2.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
332 1 2 GLU HA 1 29 VAL HA 2.500 2.100 2.900 2.567 2.227 2.987 0.087 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
333 1 61 ALA HA 1 62 ILE H 2.100 . 2.400 2.173 2.113 2.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
334 1 61 ALA H 1 61 ALA HA 2.700 2.300 3.100 2.914 2.863 2.961 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
335 1 49 PRO HA 1 50 TYR H 2.300 . 2.600 2.199 2.105 2.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
336 1 5 LEU HA 1 6 ASN H 2.300 . 2.600 2.244 2.204 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
337 1 54 VAL H 1 54 VAL HA 2.700 2.300 3.100 2.896 2.808 2.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
338 1 84 ASN HA 1 85 GLU H 2.200 . 2.500 2.265 2.101 2.542 0.042 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
339 1 74 HIS HA 1 75 VAL H 2.500 2.100 2.900 2.250 2.097 2.622 0.003 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
340 1 105 SER H 1 105 SER HA 2.600 2.200 3.000 2.902 2.324 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
341 1 69 TYR HA 1 69 TYR QD 2.600 2.200 3.000 2.426 2.084 2.915 0.116 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
342 1 69 TYR HA 1 70 LYS H 2.700 2.300 3.100 2.522 2.166 3.415 0.315 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
343 1 62 ILE HA 1 63 CYS H 2.100 . 2.400 2.187 2.125 2.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
344 1 26 VAL H 1 26 VAL HA 2.600 2.200 3.000 2.958 2.919 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
345 1 26 VAL HA 1 27 TYR H 2.200 . 2.500 2.342 2.236 2.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
346 1 72 LYS HA 1 73 LYS H 2.300 . 2.600 2.413 2.146 2.771 0.171 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
347 1 72 LYS H 1 72 LYS HA 2.800 2.400 3.200 2.830 2.284 2.972 0.116 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
348 1 39 LYS H 1 39 LYS HA 2.900 2.500 3.300 2.887 2.813 2.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
349 1 9 HIS HA 1 10 GLU H 2.400 . 2.800 2.137 2.074 2.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
350 1 97 ASN H 1 97 ASN HA 2.800 2.400 3.200 2.836 2.814 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
351 1 50 TYR HA 1 50 TYR QD 2.600 2.200 3.000 2.376 1.949 3.074 0.251 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
352 1 50 TYR H 1 50 TYR HA 2.900 2.500 3.300 2.911 2.818 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
353 1 10 GLU H 1 10 GLU HA 2.900 2.500 3.300 2.924 2.808 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
354 1 32 ASN H 1 32 ASN HA 2.400 . 2.800 2.327 2.254 2.814 0.014 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
355 1 98 THR H 1 98 THR HB 2.400 . 2.800 2.643 2.490 2.813 0.013 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
356 1 4 PHE HZ 1 40 ASP HA 2.600 2.200 3.000 2.759 2.290 3.027 0.027 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
357 1 81 SER H 1 81 SER HA 2.900 2.500 3.300 2.831 2.710 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
358 1 53 GLU H 1 53 GLU HA 2.700 2.300 3.100 2.812 2.266 2.975 0.034 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
359 1 81 SER HA 1 82 ASP H 3.000 2.500 3.500 3.333 2.632 3.565 0.065 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
360 1 67 LEU H 1 67 LEU HA 2.600 2.200 3.000 2.881 2.648 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
361 1 91 LYS H 1 91 LYS HA 2.800 2.400 3.200 2.926 2.876 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
362 1 59 LYS HA 1 60 GLU H 2.200 . 2.500 2.175 2.125 2.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
363 1 27 TYR HA 1 27 TYR QD 2.800 2.400 3.200 2.903 2.550 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
364 1 27 TYR HA 1 28 CYS H 2.100 . 2.400 2.163 2.129 2.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
365 1 60 GLU H 1 60 GLU HA 2.300 . 2.600 2.284 2.271 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
366 1 60 GLU HA 1 61 ALA H 2.800 2.400 3.200 2.603 2.443 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
367 1 81 SER H 1 81 SER HB3 2.600 2.200 3.000 3.149 2.654 3.623 0.623 13 10 "[ - *. 1 *+ . 2* . ** . * 4 * *. 5]" 1
368 1 65 VAL HA 1 66 ALA H 2.200 . 2.500 2.174 2.106 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
369 1 65 VAL H 1 65 VAL HA 2.900 2.500 3.300 2.921 2.842 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
370 1 65 VAL HA 1 76 PHE HA 2.400 . 2.800 2.596 2.151 2.837 0.037 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
371 1 57 SER H 1 57 SER HB2 2.400 . 2.800 2.629 2.164 3.529 0.729 13 2 "[ . 1 + . 2 . 3 . - . 5]" 1
372 1 18 ALA HA 1 19 SER H 2.400 . 2.800 2.339 2.118 2.892 0.092 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
373 1 46 SER H 1 46 SER QB 2.400 . 2.800 2.379 2.081 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
374 1 19 SER HA 1 19 SER QB 2.400 . 2.800 2.310 2.153 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
375 1 76 PHE QE 1 96 MET HA 3.100 2.600 3.600 3.318 3.070 3.685 0.085 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
376 1 17 LYS HA 1 18 ALA H 2.300 . 2.600 2.417 2.116 2.788 0.188 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
377 1 3 GLY HA2 1 27 TYR QE 2.800 2.400 3.200 2.888 1.947 3.247 0.453 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
378 1 3 GLY H 1 3 GLY HA2 2.900 2.500 3.300 2.748 2.656 2.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
379 1 100 ILE H 1 100 ILE HA 2.700 2.300 3.100 2.812 2.786 2.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
380 1 11 TRP QB 1 11 TRP HE3 2.600 2.200 3.000 2.434 2.361 2.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
381 1 11 TRP H 1 11 TRP QB 2.800 2.400 3.200 2.697 2.476 2.957 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
382 1 9 HIS H 1 9 HIS QB 2.700 2.300 3.100 2.765 2.396 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
383 1 83 GLY H 1 83 GLY HA3 2.500 2.100 2.900 2.822 2.285 2.972 0.072 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
384 1 4 PHE HB3 1 5 LEU H 2.900 2.500 3.300 2.878 2.757 3.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
385 1 4 PHE HB3 1 4 PHE QD 2.400 . 2.800 2.537 2.460 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
386 1 69 TYR HB3 1 69 TYR QD 2.400 . 2.800 2.303 2.266 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
387 1 69 TYR H 1 69 TYR HB3 2.500 2.100 2.900 2.590 2.192 2.996 0.096 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
388 1 76 PHE HA 1 76 PHE HB2 2.600 2.200 3.000 2.437 2.387 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
389 1 76 PHE HB2 1 76 PHE QD 2.400 . 2.800 2.383 2.319 2.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
390 1 76 PHE HA 1 76 PHE HB3 2.600 2.200 3.000 2.430 2.373 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
391 1 76 PHE HB3 1 76 PHE QD 2.400 . 2.800 2.413 2.365 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
392 1 4 PHE H 1 4 PHE HB2 2.400 . 2.800 2.250 2.162 2.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
393 1 99 TRP HB2 1 100 ILE H 2.800 2.400 3.200 2.588 2.474 2.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
394 1 4 PHE HB2 1 4 PHE QD 2.300 . 2.600 2.309 2.272 2.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
395 1 99 TRP HB2 1 99 TRP HD1 2.800 2.400 3.200 2.593 2.576 2.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
396 1 99 TRP H 1 99 TRP HB2 2.400 . 2.800 2.254 2.174 2.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
397 1 41 ALA H 1 41 ALA HA 2.700 2.300 3.100 2.833 2.794 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
398 1 27 TYR QE 1 41 ALA HA 3.000 2.500 3.500 2.996 2.452 3.304 0.048 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
399 1 24 HIS QB 1 24 HIS HD2 3.000 2.500 3.500 2.793 2.605 3.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
400 1 69 TYR HB2 1 69 TYR QD 2.500 2.100 2.900 2.606 2.407 2.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
401 1 69 TYR H 1 69 TYR HB2 2.500 2.100 2.900 2.756 2.235 3.063 0.163 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
402 1 6 ASN HB3 1 23 TRP HE3 2.500 2.100 2.900 2.359 1.923 2.903 0.177 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
403 1 97 ASN H 1 97 ASN HB2 2.500 2.100 2.900 2.391 2.074 2.715 0.026 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
404 1 6 ASN HA 1 6 ASN HB3 2.600 2.200 3.000 2.774 2.395 2.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
405 1 6 ASN H 1 6 ASN HB3 2.800 2.400 3.200 3.295 2.898 3.698 0.498 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
406 1 38 TYR HB3 1 40 ASP H 2.900 2.500 3.300 3.048 2.746 3.370 0.070 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
407 1 6 ASN HA 1 6 ASN HB2 2.500 2.100 2.900 2.882 2.710 3.023 0.123 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
408 1 28 CYS HA 1 28 CYS HB2 2.800 2.400 3.200 3.020 2.826 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
409 1 28 CYS HB2 1 99 TRP HH2 2.500 2.100 2.900 2.776 2.501 3.747 0.847 34 1 "[ . 1 . 2 . 3 +. 4 . 5]" 1
410 1 28 CYS H 1 28 CYS HB2 2.500 2.100 2.900 2.564 2.136 2.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
411 1 63 CYS HA 1 63 CYS HB3 2.700 2.300 3.100 2.971 2.820 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
412 1 38 TYR QD 1 44 ALA HA 2.700 2.300 3.100 2.950 2.650 3.108 0.008 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
413 1 25 ASN HA 1 25 ASN QB 2.500 2.100 2.900 2.388 2.167 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
414 1 25 ASN H 1 25 ASN QB 2.300 . 2.600 2.323 2.148 2.773 0.173 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
415 1 97 ASN HB3 1 98 THR H 2.500 2.100 2.900 2.573 2.333 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
416 1 97 ASN H 1 97 ASN HB3 2.400 . 2.800 2.678 2.346 3.041 0.241 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
417 1 76 PHE HZ 1 99 TRP HB3 2.900 2.500 3.300 2.691 2.481 2.968 0.019 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
418 1 82 ASP H 1 82 ASP QB 2.600 2.200 3.000 2.608 2.168 3.191 0.191 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
419 1 99 TRP HB3 1 99 TRP HE3 2.600 2.200 3.000 2.950 2.849 3.019 0.019 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
420 1 31 ASN H 1 31 ASN HB2 2.800 2.400 3.200 3.055 2.645 3.250 0.050 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
421 1 63 CYS H 1 63 CYS HB2 3.000 2.500 3.500 2.818 2.459 3.545 0.045 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
422 1 63 CYS HA 1 63 CYS HB2 2.700 2.300 3.100 2.646 2.302 2.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
423 1 37 PHE H 1 37 PHE QB 2.500 2.100 2.900 2.394 2.313 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
424 1 37 PHE QB 1 37 PHE QD 2.200 . 2.500 2.147 2.132 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
425 1 27 TYR H 1 27 TYR HB3 2.600 2.200 3.000 2.695 2.578 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
426 1 31 ASN H 1 31 ASN HB3 2.800 2.400 3.200 2.878 2.671 3.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
427 1 27 TYR HB3 1 27 TYR QD 2.500 2.100 2.900 2.404 2.301 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
428 1 92 ASP H 1 92 ASP QB 2.500 2.100 2.900 2.604 2.250 3.071 0.171 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
429 1 50 TYR H 1 50 TYR HB3 2.500 2.100 2.900 2.557 2.105 2.952 0.052 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
430 1 50 TYR HB3 1 50 TYR QD 2.400 . 2.800 2.315 2.268 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
431 1 95 GLU QG 1 99 TRP HD1 2.200 . 2.500 2.380 2.057 2.545 0.045 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
432 1 9 HIS QB 1 86 TYR QD 3.000 2.500 3.500 2.427 2.030 3.415 0.470 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
433 1 76 PHE QD 1 96 MET QG 2.500 2.100 2.900 2.234 1.982 2.598 0.118 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
434 1 84 ASN HB3 1 85 GLU H 2.900 2.500 3.300 2.896 2.345 3.370 0.155 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
435 1 50 TYR HB2 1 50 TYR QD 2.500 2.100 2.900 2.621 2.280 2.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
436 1 50 TYR H 1 50 TYR HB2 2.500 2.100 2.900 2.683 2.408 3.106 0.206 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
437 1 78 LEU HB2 1 88 PHE QD 2.300 . 2.600 2.223 1.974 2.590 0.026 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
438 1 86 TYR QB 1 86 TYR QD 2.400 . 2.800 2.140 2.116 2.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
439 1 95 GLU H 1 95 GLU HB2 2.400 . 2.800 2.274 2.095 2.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
440 1 80 LEU H 1 80 LEU QB 2.600 2.200 3.000 2.455 2.272 3.018 0.018 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
441 1 37 PHE QE 1 56 VAL HB 3.000 2.500 3.500 2.714 2.424 3.157 0.076 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
442 1 85 GLU HA 1 85 GLU QB 2.900 2.500 3.300 2.394 2.180 2.508 0.320 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
443 1 54 VAL H 1 54 VAL HB 2.700 2.300 3.100 2.702 2.253 3.176 0.076 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
444 1 2 GLU HA 1 2 GLU QG 2.400 . 2.800 2.650 2.239 3.354 0.554 47 3 "[ . 1 . 2 .* 3 . 4 -. + 5]" 1
445 1 92 ASP H 1 95 GLU HB3 2.500 2.100 2.900 2.681 2.207 2.954 0.054 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
446 1 95 GLU H 1 95 GLU HB3 2.600 2.200 3.000 2.812 2.622 3.042 0.042 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
447 1 64 GLU H 1 64 GLU QB 2.800 2.400 3.200 2.640 2.429 2.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
448 1 64 GLU QB 1 65 VAL H 3.000 2.500 3.500 2.936 2.468 3.549 0.049 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
449 1 28 CYS HA 1 28 CYS HB3 2.600 2.200 3.000 2.435 2.353 2.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
450 1 95 GLU HB3 1 95 GLU QG 2.400 . 2.800 2.416 2.157 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
451 1 74 HIS QB 1 96 MET QB 2.400 . 2.800 2.507 2.017 2.895 0.095 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
452 1 2 GLU H 1 2 GLU HB2 2.700 2.300 3.100 2.998 2.188 3.975 0.875 48 10 "[ . *1 .* *2 .* 3 * * 4 *.-*+ 5]" 1
453 1 85 GLU HA 1 85 GLU QG 2.600 2.200 3.000 2.430 2.138 3.112 0.112 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
454 1 75 VAL HA 1 75 VAL HB 2.700 2.300 3.100 3.028 3.019 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
455 1 39 LYS H 1 39 LYS QB 2.500 2.100 2.900 2.264 2.148 2.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
456 1 75 VAL H 1 75 VAL HB 2.300 . 2.600 2.568 2.376 2.697 0.097 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
457 1 39 LYS QB 1 50 TYR QD 2.900 2.500 3.300 2.796 1.977 3.299 0.523 39 1 "[ . 1 . 2 . 3 . +4 . 5]" 1
458 1 101 GLN QB 1 101 GLN HG2 2.500 2.100 2.900 2.427 2.203 2.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
459 1 101 GLN H 1 101 GLN QB 2.600 2.200 3.000 2.312 2.188 2.441 0.012 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
460 1 94 GLU H 1 94 GLU HB2 2.400 . 2.800 2.455 2.206 2.832 0.032 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
461 1 34 GLU HA 1 34 GLU HB2 2.900 2.500 3.300 2.820 2.432 3.038 0.068 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
462 1 94 GLU HB2 1 95 GLU H 2.700 2.300 3.100 2.972 2.335 3.869 0.769 25 14 "[ * * 1 .* 2** + -* * . **4 ** . *]" 1
463 1 64 GLU QB 1 64 GLU QG 1.800 . 2.100 2.089 2.012 2.108 0.008 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
464 1 101 GLN QB 1 101 GLN HG3 2.200 . 2.500 2.267 2.154 2.518 0.018 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
465 1 99 TRP HE3 1 103 ILE HG13 2.900 2.500 3.300 3.223 2.807 3.394 0.094 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
466 1 88 PHE HA 1 88 PHE HB3 2.700 2.300 3.100 2.582 2.561 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
467 1 11 TRP HE3 1 85 GLU QB 2.800 2.400 3.200 2.839 2.312 3.326 0.126 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
468 1 80 LEU QB 1 82 ASP H 2.800 2.400 3.200 2.757 2.267 3.029 0.133 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
469 1 88 PHE HB3 1 88 PHE QD 2.800 2.400 3.200 2.493 2.388 2.592 0.012 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
470 1 34 GLU H 1 34 GLU HB3 2.800 2.400 3.200 3.500 2.865 3.917 0.717 22 20 "[* * ** * * ** . - ***+ *. *3 **. *4* . *5]" 1
471 1 2 GLU HA 1 2 GLU HB3 2.500 2.100 2.900 2.523 2.274 3.025 0.125 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
472 1 103 ILE H 1 103 ILE HB 2.200 . 2.500 2.315 2.125 2.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
473 1 103 ILE HB 1 104 SER H 2.500 2.100 2.900 2.752 2.445 2.971 0.071 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
474 1 28 CYS HB2 1 28 CYS HG 2.900 2.500 3.300 2.806 2.668 2.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
475 1 79 ARG H 1 79 ARG HB3 2.700 2.300 3.100 2.836 2.413 3.716 0.616 42 9 "[ * . 1 **. * 2 - . 3* .* * + . 5]" 1
476 1 91 LYS H 1 91 LYS HB2 2.800 2.400 3.200 3.206 2.327 3.836 0.636 26 1 "[ . 1 . 2 .+ 3 . 4 . 5]" 1
477 1 27 TYR HB2 1 27 TYR QD 2.400 . 2.800 2.396 2.299 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
478 1 27 TYR H 1 27 TYR HB2 2.500 2.100 2.900 2.600 2.477 2.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
479 1 48 ILE H 1 48 ILE HB 2.500 2.100 2.900 2.550 2.289 2.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
480 1 80 LEU H 1 80 LEU HG 2.500 2.100 2.900 2.398 1.992 3.185 0.285 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
481 1 90 ALA H 1 90 ALA MB 2.400 . 2.800 2.320 2.197 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
482 1 90 ALA MB 1 96 MET H 2.500 2.100 2.900 2.832 2.571 3.005 0.105 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
483 1 90 ALA MB 1 92 ASP H 2.500 2.100 2.900 2.770 2.118 2.979 0.079 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
484 1 90 ALA MB 1 99 TRP HD1 3.100 2.600 3.600 2.783 2.551 3.251 0.049 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
485 1 90 ALA MB 1 91 LYS H 2.200 . 2.500 2.403 2.106 2.572 0.072 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
486 1 76 PHE QE 1 90 ALA MB 2.600 2.200 3.000 2.762 2.191 3.059 0.059 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
487 1 59 LYS H 1 59 LYS HB2 2.700 2.300 3.100 2.425 2.062 2.836 0.238 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
488 1 62 ILE H 1 62 ILE HB 2.400 . 2.800 2.549 2.356 2.825 0.025 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
489 1 42 LYS H 1 42 LYS QB 2.300 . 2.600 2.441 2.244 2.625 0.025 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
490 1 79 ARG HA 1 79 ARG HB2 2.700 2.300 3.100 2.618 2.390 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
491 1 35 MET H 1 35 MET HG3 2.900 2.500 3.300 3.258 2.872 3.417 0.117 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
492 1 77 LYS H 1 77 LYS QB 2.800 2.400 3.200 2.436 2.175 2.872 0.225 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
493 1 26 VAL H 1 26 VAL HB 3.000 2.500 3.500 2.838 2.532 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
494 1 59 LYS H 1 59 LYS HB3 2.500 2.100 2.900 2.815 2.416 3.261 0.361 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
495 1 91 LYS HB3 1 91 LYS QG 2.100 . 2.400 2.348 2.147 2.541 0.141 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
496 1 30 ILE H 1 30 ILE HB 2.500 2.100 2.900 2.620 2.400 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
497 1 78 LEU HB2 1 78 LEU HG 2.400 . 2.800 2.590 2.235 2.989 0.189 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
498 1 42 LYS QD 1 42 LYS QE 2.100 . 2.400 2.023 1.981 2.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
499 1 7 ARG H 1 7 ARG QB 2.700 2.300 3.100 2.426 2.318 2.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
500 1 5 LEU H 1 5 LEU HB2 2.700 2.300 3.100 2.757 2.657 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
501 1 35 MET H 1 35 MET QB 2.900 2.500 3.300 3.051 2.634 3.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
502 1 48 ILE HB 1 48 ILE QG 2.900 2.500 3.300 2.377 2.184 2.502 0.316 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
503 1 48 ILE H 1 48 ILE QG 2.800 2.400 3.200 2.497 2.044 2.963 0.356 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
504 1 78 LEU HA 1 78 LEU HB3 2.700 2.300 3.100 2.958 2.809 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
505 1 77 LYS QB 1 77 LYS QG 2.400 . 2.800 2.066 1.987 2.105 0.013 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
506 1 45 ALA MB 1 46 SER H 2.600 2.200 3.000 2.435 2.199 2.693 0.001 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
507 1 45 ALA H 1 45 ALA MB 2.100 . 2.400 2.224 2.158 2.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
508 1 42 LYS QB 1 42 LYS QG 2.100 . 2.400 2.083 2.007 2.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
509 1 16 LYS QE 1 16 LYS QG 2.400 . 2.800 2.327 1.994 2.900 0.100 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
510 1 61 ALA H 1 61 ALA MB 2.200 . 2.500 2.273 2.189 2.357 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
511 1 72 LYS H 1 72 LYS QB 2.900 2.500 3.300 2.779 2.405 3.419 0.119 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
512 1 66 ALA H 1 66 ALA MB 2.300 . 2.600 2.516 2.350 2.683 0.083 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
513 1 66 ALA MB 1 76 PHE HA 2.900 2.500 3.300 2.875 2.469 3.304 0.031 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
514 1 66 ALA MB 1 69 TYR HB2 2.300 . 2.600 2.199 1.974 3.182 0.582 36 1 "[ . 1 . 2 . 3 .+ 4 . 5]" 1
515 1 70 LYS HD3 1 70 LYS QG 2.000 . 2.300 2.380 2.147 2.549 0.249 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
516 1 70 LYS H 1 70 LYS QG 2.800 2.400 3.200 2.756 2.346 3.261 0.061 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
517 1 70 LYS QE 1 70 LYS QG 2.600 2.200 3.000 2.378 2.153 2.911 0.047 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
518 1 87 LEU H 1 87 LEU HG 2.900 2.500 3.300 2.850 2.465 3.934 0.634 49 2 "[ . 1 . 2 . 3 . - 4 . +5]" 1
519 1 23 TRP HH2 1 89 GLN QB 2.800 2.400 3.200 2.649 2.451 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
520 1 80 LEU QD 1 80 LEU HG 2.300 . 2.600 1.887 1.862 1.900 0.138 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
521 1 80 LEU QD 1 86 TYR QE 2.500 2.100 2.900 2.300 1.863 2.894 0.237 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
522 1 80 LEU QB 1 80 LEU QD 2.300 2.300 2.600 1.946 1.861 2.003 0.439 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
523 1 102 ALA H 1 102 ALA MB 2.100 . 2.400 2.238 2.206 2.259 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
524 1 23 TRP HZ3 1 89 GLN QB 2.600 2.200 3.000 2.402 2.124 2.776 0.076 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
525 1 102 ALA MB 1 103 ILE H 2.600 2.200 3.000 2.530 2.332 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
526 1 6 ASN HB3 1 89 GLN QB 2.800 2.400 3.200 2.393 1.941 3.597 0.459 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
527 1 89 GLN H 1 89 GLN QB 2.800 2.400 3.200 2.419 2.268 2.734 0.132 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
528 1 5 LEU HB3 1 6 ASN H 2.600 2.200 3.000 3.029 2.669 3.101 0.101 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
529 1 65 VAL HB 1 65 VAL QG 2.200 . 2.500 1.891 1.875 1.903 0.025 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
530 1 56 VAL HB 1 56 VAL MG2 2.200 . 2.500 2.125 2.112 2.136 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
531 1 37 PHE QE 1 56 VAL MG2 2.400 . 2.800 2.176 1.993 3.162 0.362 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
532 1 65 VAL H 1 65 VAL QG 2.400 . 2.800 2.170 1.851 2.498 0.149 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
533 1 54 VAL HB 1 54 VAL QG 2.400 . 2.500 1.888 1.867 1.899 0.133 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
534 1 100 ILE HB 1 100 ILE HG13 2.500 2.100 2.900 2.498 2.450 2.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
535 1 100 ILE H 1 100 ILE HG13 2.300 . 2.600 2.241 2.134 2.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
536 1 65 VAL QG 1 66 ALA H 2.700 2.300 3.100 2.448 2.259 2.748 0.041 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
537 1 80 LEU MD1 1 80 LEU MD2 1.900 . 2.200 2.057 1.978 2.094 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
538 1 78 LEU QD 1 78 LEU HG 2.200 . 2.500 1.880 1.868 1.896 0.032 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
539 1 78 LEU HB3 1 78 LEU QD 2.700 2.300 2.900 2.217 2.021 2.541 0.279 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
540 1 78 LEU QD 1 79 ARG H 2.500 2.100 2.900 2.422 2.043 2.828 0.057 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
541 1 41 ALA MB 1 42 LYS H 2.600 2.200 3.000 2.600 2.509 2.742 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
542 1 41 ALA HA 1 41 ALA MB 2.000 . 2.300 2.138 2.126 2.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
543 1 48 ILE HB 1 48 ILE MG 2.200 . 2.500 2.130 2.107 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
544 1 67 LEU HB2 1 67 LEU QD 2.500 2.100 2.900 2.165 2.009 2.339 0.091 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
545 1 67 LEU QD 1 67 LEU HG 1.900 . 2.200 1.888 1.867 1.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
546 1 78 LEU QD 1 88 PHE QE 2.500 2.100 2.900 2.330 2.074 2.676 0.026 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
547 1 78 LEU HB2 1 78 LEU QD 2.200 . 2.500 2.283 2.015 2.565 0.065 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
548 1 67 LEU HA 1 67 LEU QD 2.300 . 2.600 2.184 1.860 2.553 0.140 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
549 1 48 ILE MD 1 48 ILE QG 2.200 . 2.200 1.890 1.866 1.908 0.034 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
550 1 46 SER QB 1 48 ILE MD 2.400 . 2.800 2.502 2.165 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
551 1 103 ILE HB 1 103 ILE MG 2.100 . 2.400 2.121 2.090 2.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
552 1 29 VAL MG2 1 38 TYR QD 2.500 2.100 2.900 2.205 2.091 2.416 0.009 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
553 1 27 TYR QE 1 29 VAL MG2 2.300 . 2.600 2.221 1.973 2.546 0.027 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
554 1 27 TYR QD 1 29 VAL MG2 2.600 2.200 3.000 2.244 2.146 2.447 0.054 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
555 1 62 ILE HB 1 62 ILE MG 2.400 . 2.800 2.111 2.090 2.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
556 1 61 ALA MB 1 103 ILE MG 2.000 . 2.300 2.346 2.137 2.531 0.231 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
557 1 5 LEU HG 1 99 TRP HE1 2.900 2.500 3.300 3.006 2.620 3.339 0.039 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
558 1 99 TRP HE3 1 103 ILE MD 2.400 . 2.800 2.764 2.438 2.872 0.072 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
559 1 76 PHE QE 1 103 ILE MD 2.300 . 2.600 2.388 2.082 2.641 0.041 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
560 1 100 ILE HA 1 103 ILE MD 2.400 . 2.800 2.553 2.188 2.823 0.023 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
561 1 76 PHE HZ 1 103 ILE MD 2.900 2.500 3.300 3.154 2.718 3.361 0.061 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
562 1 62 ILE MD 1 62 ILE HG13 2.500 2.100 2.900 2.123 2.094 2.144 0.006 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
563 1 44 ALA MB 1 45 ALA H 2.500 2.100 2.900 2.515 2.356 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
564 1 44 ALA H 1 44 ALA MB 2.200 . 2.500 2.222 2.101 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
565 1 29 VAL MG1 1 30 ILE H 2.600 2.200 3.000 2.756 2.193 3.054 0.054 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
566 1 27 TYR QE 1 44 ALA MB 2.400 . 2.800 2.703 2.272 2.909 0.109 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
567 1 27 TYR QD 1 44 ALA MB 2.300 . 2.600 2.464 2.225 2.649 0.049 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
568 1 41 ALA HA 1 44 ALA MB 2.300 . 2.600 2.542 2.378 2.646 0.046 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
569 1 44 ALA HA 1 44 ALA MB 2.000 . 2.300 2.137 2.116 2.142 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
570 1 38 TYR HB2 1 44 ALA MB 2.500 2.100 2.900 2.520 2.248 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
571 1 23 TRP HH2 1 75 VAL MG1 2.400 . 2.800 2.362 2.110 2.813 0.013 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
572 1 75 VAL MG1 1 76 PHE H 2.400 . 2.800 2.087 1.945 2.576 0.055 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
573 1 69 TYR QD 1 75 VAL MG1 2.600 2.200 3.000 2.911 2.192 3.129 0.129 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
574 1 30 ILE MD 1 99 TRP HE3 2.500 2.100 2.900 2.606 2.306 2.926 0.026 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
575 1 30 ILE MD 1 99 TRP HZ3 2.200 . 2.500 2.337 2.145 2.514 0.014 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
576 1 58 LEU QD 1 103 ILE HA 2.100 . 2.400 2.330 1.958 2.493 0.093 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
577 1 100 ILE HA 1 100 ILE MG 2.300 . 2.600 2.458 2.390 2.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
578 1 75 VAL HB 1 75 VAL MG1 2.300 . 2.600 2.126 2.112 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
579 1 30 ILE MD 1 102 ALA MB 2.200 . 2.500 2.238 1.863 2.558 0.058 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
580 1 75 VAL H 1 75 VAL MG2 2.400 . 2.800 2.721 2.357 2.920 0.120 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
581 1 75 VAL HA 1 75 VAL MG2 2.300 . 2.600 2.408 2.286 2.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
582 1 76 PHE HB2 1 100 ILE MD 2.600 2.200 3.000 2.748 2.397 3.020 0.020 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
583 1 30 ILE MG 1 31 ASN H 2.500 2.100 2.900 2.592 2.172 2.934 0.034 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
584 1 23 TRP HH2 1 75 VAL MG2 2.700 2.300 3.100 2.998 2.373 3.185 0.085 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
585 1 76 PHE HB3 1 100 ILE MD 2.500 2.100 2.900 2.328 2.115 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
586 1 65 VAL QG 1 100 ILE MD . 2.300 2.400 2.138 1.869 2.462 0.431 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
587 1 97 ASN HA 1 100 ILE MD 2.800 2.400 3.200 3.020 2.506 3.263 0.063 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
588 1 76 PHE QE 1 88 PHE HB2 2.800 2.400 3.200 2.759 2.533 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
589 1 73 LYS QB 1 73 LYS QG 2.500 2.100 2.900 2.057 1.981 2.103 0.119 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
590 1 88 PHE H 1 88 PHE HB2 2.600 2.200 3.000 2.417 2.294 2.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
591 1 8 LYS HD2 1 69 TYR QE 3.100 2.600 3.600 3.488 2.712 4.172 0.572 26 2 "[ . 1 . 2 .+ 3 - 4 . 5]" 1
592 1 77 LYS HA 1 87 LEU QD 2.600 2.200 3.000 2.322 2.134 2.721 0.066 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
593 1 87 LEU QD 1 87 LEU HG 2.100 . 2.400 1.889 1.853 1.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
594 1 100 ILE HB 1 100 ILE HG12 2.800 2.400 3.200 3.024 3.017 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
595 1 87 LEU HB3 1 87 LEU QD 2.500 2.100 2.900 2.116 2.027 2.275 0.073 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
596 1 100 ILE HA 1 100 ILE HG12 2.400 . 2.800 2.498 2.389 2.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
597 1 5 LEU MD2 1 5 LEU HG 2.500 2.100 2.900 2.113 2.094 2.133 0.006 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
598 1 5 LEU MD2 1 76 PHE QE 2.600 2.200 3.000 2.540 2.233 2.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
599 1 5 LEU MD2 1 76 PHE HZ 2.900 2.500 3.300 2.966 2.563 3.343 0.043 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
600 1 26 VAL QG 1 88 PHE QE 2.900 2.500 3.300 3.078 2.696 3.323 0.023 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
601 1 26 VAL HB 1 26 VAL QG 2.200 . 2.500 1.886 1.880 1.893 0.020 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
602 1 18 ALA H 1 18 ALA MB 2.400 . 2.800 2.414 2.143 2.917 0.117 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
603 1 18 ALA HA 1 18 ALA MB 2.200 . 2.500 2.133 2.103 2.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
604 1 26 VAL MG1 1 26 VAL MG2 2.000 . 2.300 2.069 2.029 2.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
605 1 26 VAL QG 1 50 TYR QE 3.000 2.500 3.500 2.904 2.428 3.534 0.072 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
606 1 23 TRP HZ2 1 87 LEU QD 2.600 2.200 3.000 2.943 2.621 3.073 0.073 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
607 1 8 LYS HD2 1 8 LYS HG2 2.700 2.300 3.100 2.871 2.601 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
608 1 8 LYS HG2 1 9 HIS H 3.000 2.500 3.500 2.850 2.031 3.542 0.469 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
609 1 5 LEU MD1 1 5 LEU HG 2.100 . 2.400 2.117 2.103 2.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
610 1 5 LEU MD1 1 76 PHE HZ 2.500 2.100 2.900 2.344 2.100 2.592 0.000 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
611 1 5 LEU HB2 1 5 LEU MD1 2.400 . 2.800 2.392 2.311 2.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
612 1 5 LEU HB3 1 5 LEU MD1 2.500 2.100 2.900 2.300 2.211 2.398 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
613 1 8 LYS HA 1 8 LYS HB2 2.600 2.200 3.000 2.495 2.386 2.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
614 1 8 LYS H 1 8 LYS HB2 2.900 2.500 3.300 3.146 2.650 3.339 0.039 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
615 1 4 PHE HA 1 27 TYR HA 2.400 . 2.800 2.231 2.113 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
616 1 38 TYR HA 1 50 TYR HB2 2.500 2.100 2.900 2.626 2.100 3.719 0.819 28 2 "[ . - . 2 . + 3 . 4 . 5]" 1
617 1 11 TRP HA 1 12 GLU H 2.100 . 2.700 2.159 2.063 2.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
618 1 106 ALA H 1 106 ALA MB 2.200 . 2.800 2.540 2.087 2.982 0.182 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
619 1 65 VAL H 1 65 VAL HB 2.200 . 2.800 2.653 2.486 2.961 0.161 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
620 1 40 ASP H 1 40 ASP HA 2.400 . 3.100 2.882 2.836 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
621 1 43 SER H 1 43 SER HA 2.400 . 3.100 2.839 2.817 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
622 1 84 ASN H 1 84 ASN HB2 2.400 . 3.100 2.714 2.186 3.140 0.040 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
623 1 106 ALA H 1 106 ALA HA 2.500 . 3.300 2.701 2.267 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
624 1 51 HIS H 1 51 HIS HA 2.400 . 3.100 2.706 2.257 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
625 1 69 TYR QD 1 75 VAL MG2 2.500 . 3.300 2.840 2.156 3.324 0.024 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
626 1 71 LYS HA 1 72 LYS H 2.500 . 3.300 2.720 2.077 3.517 0.217 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
627 1 23 TRP HB3 1 23 TRP HE3 2.500 . 3.300 2.897 2.630 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
628 1 58 LEU H 1 59 LYS H 2.600 . 3.400 2.984 2.079 3.449 0.049 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
629 1 78 LEU HA 1 78 LEU QD 2.300 . 3.000 1.974 1.842 2.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
630 1 37 PHE QE 1 56 VAL MG1 2.600 . 3.400 3.094 2.767 3.447 0.047 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
631 1 45 ALA H 1 46 SER H 2.800 . 3.800 2.689 2.513 2.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
632 1 63 CYS HG 1 76 PHE QD 2.800 . 3.800 2.520 2.051 3.829 0.029 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
633 1 68 ASP H 1 69 TYR H 2.800 . 3.800 3.098 1.793 3.750 0.007 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
634 1 41 ALA H 1 42 LYS H 2.700 . 3.600 2.695 2.460 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
635 1 9 HIS HA 1 86 TYR QD 2.800 . 3.800 2.191 1.967 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
636 1 98 THR H 1 98 THR HG1 2.600 . 3.400 2.078 1.795 3.012 0.005 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
637 1 62 ILE H 1 62 ILE HG13 2.400 . 3.100 2.618 2.002 3.784 0.684 12 9 "[ *- . 1 + . 2 . 3* * .* * . **5]" 1
638 1 4 PHE QD 1 27 TYR HA 2.700 . 3.600 3.282 2.986 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
639 1 76 PHE HB2 1 77 LYS H 2.500 . 3.300 2.945 2.446 3.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
640 1 23 TRP HZ3 1 88 PHE HA 2.500 . 3.300 3.164 2.495 3.430 0.130 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
641 1 4 PHE QE 1 27 TYR QE 2.900 . 4.000 3.510 3.131 4.086 0.086 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
642 1 5 LEU MD2 1 99 TRP HE1 2.800 . 3.800 3.120 2.733 3.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
643 1 84 ASN HB3 1 86 TYR QE 2.700 . 3.600 2.748 2.033 3.657 0.057 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
644 1 103 ILE H 1 103 ILE HA 2.700 . 3.600 2.854 2.809 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
645 1 23 TRP HA 1 23 TRP HE3 2.800 . 3.800 2.445 1.973 3.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
646 1 63 CYS HA 1 63 CYS HG 2.700 . 3.600 2.786 2.273 3.630 0.030 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
647 1 14 HIS QB 1 14 HIS HD2 2.900 . 4.000 2.901 2.648 3.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
648 1 51 HIS HA 1 51 HIS HD2 3.000 . 4.100 3.404 2.294 4.310 0.210 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
649 1 26 VAL H 1 26 VAL QG 2.700 . 3.600 2.261 1.851 2.714 0.049 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
650 1 4 PHE HZ 1 40 ASP QB 2.800 . 3.800 2.117 1.999 2.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
651 1 14 HIS H 1 14 HIS HA 2.800 . 3.800 2.706 2.263 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
652 1 3 GLY H 1 28 CYS H 3.000 . 4.100 3.467 3.089 3.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
653 1 24 HIS HD2 1 26 VAL QG 3.000 . 4.100 3.192 1.970 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
654 1 5 LEU HG 1 99 TRP HZ2 2.600 . 3.400 3.135 2.808 3.436 0.036 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
655 1 86 TYR H 1 86 TYR QD 3.000 . 4.100 3.130 2.239 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
656 1 92 ASP QB 1 93 ASP H 3.000 . 4.100 3.168 2.104 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
657 1 95 GLU QG 1 99 TRP HE1 2.900 . 4.000 2.455 2.114 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
658 1 10 GLU H 1 86 TYR HA 2.800 . 3.800 2.724 1.855 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
659 1 4 PHE H 1 4 PHE HB3 2.800 . 3.800 3.536 3.468 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
660 1 60 GLU H 1 60 GLU QB 2.800 . 3.800 3.388 3.282 3.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
661 1 79 ARG H 1 79 ARG HB2 2.700 . 3.600 2.774 2.286 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
662 1 62 ILE H 1 79 ARG H 3.000 . 4.100 3.623 3.223 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
663 1 9 HIS QB 1 86 TYR QE 2.900 . 4.000 2.479 2.016 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
664 1 80 LEU H 1 80 LEU HA 2.900 . 4.000 2.889 2.800 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
665 1 88 PHE HA 1 88 PHE HB2 2.500 . 3.300 2.994 2.978 3.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
666 1 23 TRP H 1 23 TRP HB2 2.700 . 3.600 2.943 2.190 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
667 1 75 VAL H 1 75 VAL HA 3.000 . 4.100 2.964 2.940 2.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
668 1 29 VAL H 1 29 VAL HA 2.900 . 4.000 2.962 2.939 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
669 1 27 TYR QD 1 40 ASP HA 3.100 . 4.300 2.584 2.251 2.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
670 1 38 TYR HB2 1 39 LYS H 2.900 . 4.000 3.357 2.966 3.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
671 1 80 LEU H 1 85 GLU HA 3.000 . 4.100 3.307 2.954 3.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
672 1 76 PHE QD 1 100 ILE HG12 2.900 . 4.000 3.293 2.765 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
673 1 5 LEU MD1 1 88 PHE HB3 2.600 . 3.400 2.906 2.588 3.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
674 1 91 LYS HA 1 92 ASP H 3.100 . 4.300 3.503 3.320 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
675 1 79 ARG H 1 79 ARG HA 2.900 . 4.000 2.963 2.937 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
676 1 35 MET QB 1 36 GLY H 2.900 . 4.000 2.775 2.268 3.182 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
677 1 11 TRP H 1 85 GLU H 3.000 . 4.100 3.408 3.002 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
678 1 7 ARG QG 1 88 PHE QE 3.000 . 4.100 2.969 2.447 3.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
679 1 14 HIS H 1 14 HIS QB 2.900 . 4.000 2.702 2.092 3.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
680 1 7 ARG HA 1 23 TRP HZ3 2.800 . 3.800 3.542 3.088 3.871 0.071 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
681 1 104 SER HA 1 105 SER H 3.100 . 4.300 3.495 2.846 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
682 1 6 ASN H 1 6 ASN HA 2.900 . 4.000 2.937 2.907 2.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
683 1 86 TYR H 1 86 TYR HA 2.900 . 4.000 2.968 2.946 2.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
684 1 80 LEU HG 1 86 TYR QE 3.000 . 4.100 3.662 2.784 4.286 0.186 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
685 1 38 TYR H 1 38 TYR HB3 2.900 . 4.000 3.752 3.657 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
686 1 62 ILE H 1 62 ILE MG 2.900 . 4.000 3.794 3.727 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
687 1 25 ASN QB 1 26 VAL H 3.000 . 4.100 3.867 3.153 4.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
688 1 11 TRP QB 1 11 TRP HD1 3.100 . 4.300 2.769 2.623 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
689 1 37 PHE QD 1 56 VAL MG2 3.300 . 4.700 2.652 2.117 4.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
690 1 5 LEU MD2 1 6 ASN H 3.000 . 4.100 2.564 2.313 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
691 1 9 HIS HD2 1 18 ALA MB 3.300 . 4.700 3.593 2.140 4.821 0.121 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
692 1 63 CYS HA 1 79 ARG H 3.100 . 4.300 3.369 2.930 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
693 1 6 ASN HB3 1 23 TRP HZ3 2.700 . 3.600 2.268 1.995 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
694 1 38 TYR HB2 1 40 ASP H 3.100 . 4.300 3.612 3.198 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
695 1 23 TRP HH2 1 87 LEU QD 3.100 . 4.300 3.784 3.460 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
696 1 4 PHE QD 1 27 TYR QE 3.400 . 4.800 3.461 3.089 3.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
697 1 76 PHE QD 1 103 ILE MD 3.100 . 4.300 3.705 3.315 4.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
698 1 75 VAL MG2 1 89 GLN HA 2.900 . 4.000 2.751 2.179 3.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
699 1 80 LEU H 1 80 LEU QD 3.000 . 4.100 2.821 1.796 3.320 0.104 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
700 1 84 ASN HB2 1 86 TYR QE 3.200 . 4.500 3.039 1.921 4.546 0.046 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
701 1 71 LYS H 1 71 LYS HA 2.900 . 4.000 2.684 2.254 2.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
702 1 75 VAL HA 1 76 PHE QD 3.200 . 4.500 3.459 3.108 3.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
703 1 27 TYR QE 1 40 ASP QB 3.200 . 4.500 4.584 4.515 4.771 0.271 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
704 1 69 TYR QD 1 75 VAL HB 3.000 . 4.100 3.931 3.117 4.214 0.114 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
705 1 78 LEU HA 1 78 LEU HB2 2.800 . 3.800 2.658 2.437 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
706 1 42 LYS HA 1 43 SER H 3.200 . 4.500 3.551 3.517 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
707 1 20 SER H 1 22 SER H 3.800 . 5.600 4.612 2.849 5.655 0.055 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
708 1 11 TRP QB 1 12 GLU H 3.100 . 4.300 3.763 3.513 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
709 1 43 SER HA 1 48 ILE H 3.100 . 4.300 3.308 2.910 3.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
710 1 76 PHE QD 1 96 MET HA 3.300 . 4.700 3.708 3.194 4.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
711 1 76 PHE QD 1 100 ILE HG13 3.200 . 4.500 3.613 3.353 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
712 1 35 MET HG3 1 36 GLY H 2.900 . 4.000 3.926 3.481 4.102 0.102 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
713 1 18 ALA MB 1 19 SER H 3.000 . 4.100 2.871 1.894 3.735 0.006 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
714 1 5 LEU MD1 1 99 TRP HZ2 3.000 . 4.100 3.329 3.014 3.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
715 1 65 VAL HA 1 77 LYS H 3.200 . 4.500 3.642 3.172 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
716 1 51 HIS H 1 51 HIS HD2 3.400 . 4.800 3.775 2.009 4.912 0.112 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
717 1 77 LYS HA 1 77 LYS QG 2.800 . 3.800 2.482 2.106 3.262 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
718 1 4 PHE HZ 1 27 TYR QD 3.500 . 5.000 3.433 3.097 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
719 1 11 TRP HE3 1 12 GLU HA 3.200 . 4.500 4.263 3.128 4.652 0.152 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
720 1 6 ASN HB2 1 89 GLN QB 2.700 . 3.600 2.180 1.808 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
721 1 5 LEU MD1 1 99 TRP HD1 3.500 . 5.000 3.787 3.383 4.113 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
722 1 65 VAL QG 1 67 LEU H 3.300 . 4.700 3.030 2.278 4.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
723 1 51 HIS H 1 52 SER H 3.500 . 5.000 4.303 2.318 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
724 1 91 LYS QD 1 92 ASP H 3.000 . 4.100 4.008 3.220 4.245 0.145 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
725 1 76 PHE H 1 88 PHE HB2 3.000 . 4.100 3.774 3.457 4.119 0.019 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
726 1 12 GLU H 1 17 LYS HA 3.300 . 4.700 4.266 2.953 4.807 0.107 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
727 1 31 ASN H 1 35 MET H 3.400 . 4.800 4.678 4.349 4.897 0.097 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
728 1 26 VAL QG 1 38 TYR H 3.100 . 4.300 3.047 2.623 3.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
729 1 3 GLY HA2 1 99 TRP HZ2 3.100 . 4.300 4.176 3.671 4.773 0.473 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
730 1 76 PHE HZ 1 99 TRP HB2 3.200 . 4.500 3.710 3.260 4.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
731 1 2 GLU QG 1 27 TYR QE 3.200 . 4.500 3.131 1.832 4.353 0.068 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
732 1 83 GLY HA3 1 84 ASN H 3.400 . 4.800 2.987 2.062 3.624 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
733 1 4 PHE QE 1 27 TYR H 3.500 . 5.000 4.134 3.512 4.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
734 1 38 TYR HB2 1 44 ALA H 3.300 . 4.700 3.841 3.506 4.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
735 1 35 MET HA 1 35 MET QB 3.000 . 4.100 2.181 2.171 2.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
736 1 30 ILE MG 1 34 GLU H 3.200 . 4.500 3.902 3.197 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
737 1 27 TYR QD 1 38 TYR HB2 3.300 . 4.700 2.827 2.258 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
738 1 37 PHE HA 1 37 PHE QE 3.600 . 5.200 4.465 4.323 4.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
739 1 76 PHE H 1 76 PHE HB3 3.100 . 4.300 3.390 3.184 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
740 1 78 LEU HA 1 78 LEU HG 2.900 . 4.000 2.998 2.514 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
741 1 40 ASP QB 1 42 LYS H 3.100 . 4.300 3.382 2.511 3.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
742 1 80 LEU QD 1 81 SER H 3.200 . 4.500 3.432 2.835 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
743 1 34 GLU H 1 34 GLU QG 3.000 . 4.100 3.241 1.885 4.288 0.188 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
744 1 38 TYR H 1 38 TYR HB2 3.100 . 4.300 2.608 2.459 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
745 1 8 LYS HB2 1 23 TRP HE3 3.300 . 4.700 3.241 3.003 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
746 1 34 GLU HA 1 34 GLU QG 2.900 . 4.000 2.553 2.025 3.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
747 1 9 HIS QB 1 9 HIS HD2 3.400 . 4.800 3.289 3.093 3.348 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
748 1 8 LYS HE3 1 8 LYS HG2 2.800 . 3.800 2.354 2.051 2.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
749 1 56 VAL H 1 56 VAL HB 3.300 . 4.700 2.630 2.292 2.819 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
750 1 96 MET QG 1 100 ILE MD 3.000 . 4.100 2.431 2.055 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
751 1 79 ARG HE 1 79 ARG HG2 3.100 . 4.300 3.218 2.089 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
752 1 29 VAL HA 1 99 TRP HH2 3.300 . 4.700 3.861 3.368 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
753 1 65 VAL HA 1 76 PHE QD 3.400 . 4.800 4.778 4.255 4.941 0.141 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
754 1 19 SER H 1 20 SER HA 3.500 . 5.000 4.719 4.177 5.245 0.245 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
755 1 76 PHE QE 1 78 LEU HG 3.400 . 4.800 3.816 2.548 4.944 0.144 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
756 1 76 PHE QE 1 99 TRP HD1 3.700 . 5.400 3.743 3.152 4.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
757 1 15 ASN H 1 16 LYS H 3.300 . 4.700 3.176 1.798 4.668 0.102 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
758 1 5 LEU MD1 1 99 TRP HE1 3.500 . 5.000 3.528 3.217 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
759 1 2 GLU HA 1 30 ILE H 3.200 . 4.500 3.630 3.180 4.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
760 1 38 TYR HB3 1 39 LYS H 3.300 . 4.700 2.197 1.972 2.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
761 1 5 LEU MD1 1 28 CYS HB2 3.000 . 4.100 2.611 2.209 3.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
762 1 66 ALA H 1 76 PHE HB3 3.200 . 4.500 3.552 3.236 3.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
763 1 6 ASN HB2 1 89 GLN H 3.200 . 4.500 3.206 2.319 3.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
764 1 11 TRP HZ3 1 84 ASN H 3.500 . 5.000 3.857 2.494 5.141 0.141 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
765 1 28 CYS HA 1 28 CYS HG 3.200 . 4.500 2.976 2.401 3.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
766 1 69 TYR H 1 69 TYR QD 3.800 . 5.600 4.228 3.869 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
767 1 4 PHE QE 1 27 TYR HB3 3.200 . 4.500 4.619 4.462 5.175 0.675 16 5 "[ . *- .+ 2 .* 3 . 4 * . 5]" 1
768 1 50 TYR QD 1 51 HIS QB 3.400 . 4.800 3.596 2.384 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
769 1 9 HIS HD2 1 22 SER HA 3.600 . 5.200 4.296 2.712 5.334 0.134 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
770 1 30 ILE H 1 30 ILE MG 3.200 . 4.500 3.823 3.756 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
771 1 17 LYS QD 1 18 ALA H 3.100 . 4.300 3.916 2.112 4.400 0.100 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
772 1 92 ASP H 1 95 GLU QG 3.300 . 4.700 4.330 3.297 4.727 0.027 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
773 1 31 ASN QD 1 32 ASN HB2 3.300 . 4.700 4.414 2.845 5.504 0.804 45 3 "[ . 1 . 2 - 3 . 4* + 5]" 1
774 1 38 TYR QD 1 48 ILE H 3.700 . 5.400 3.145 2.685 3.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
775 1 95 GLU QG 1 96 MET H 3.300 . 4.700 4.017 3.658 4.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
776 1 5 LEU MD1 1 99 TRP HE3 3.400 . 4.800 3.453 3.130 3.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
777 1 60 GLU H 1 60 GLU QG 3.300 . 4.700 2.684 2.460 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
778 1 5 LEU MD1 1 99 TRP HB2 3.200 . 4.500 4.105 3.764 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
779 1 79 ARG HB2 1 79 ARG HE 3.200 . 4.500 3.799 1.884 4.655 0.155 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
780 1 93 ASP H 1 93 ASP HB2 3.500 . 5.000 2.854 2.068 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
781 1 39 LYS H 1 50 TYR HB2 3.300 . 4.700 3.077 2.423 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
782 1 78 LEU HB3 1 79 ARG H 3.200 . 4.500 4.132 3.708 4.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
783 1 50 TYR HA 1 51 HIS HD2 3.700 . 5.400 4.712 2.926 5.525 0.125 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
784 1 7 ARG HA 1 23 TRP HE3 3.600 . 5.200 4.316 3.911 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
785 1 14 HIS HA 1 14 HIS HD2 3.600 . 5.200 3.754 2.253 4.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
786 1 102 ALA H 1 103 ILE MD 3.400 . 4.800 4.795 4.620 4.859 0.059 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
787 1 87 LEU H 1 87 LEU QD 3.300 . 3.400 3.117 2.144 3.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
788 1 80 LEU H 1 84 ASN H 3.700 . 5.400 3.977 3.099 5.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
789 1 5 LEU MD1 1 6 ASN H 3.400 . 4.800 4.536 4.395 4.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
790 1 25 ASN H 1 26 VAL H 3.700 . 5.400 4.310 3.658 4.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
791 1 37 PHE H 1 38 TYR QE 3.700 . 5.400 4.604 4.132 5.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
792 1 38 TYR HA 1 50 TYR QD 3.700 . 5.400 4.032 3.391 4.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
793 1 5 LEU MD1 1 28 CYS HB3 3.200 . 4.500 3.539 3.158 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
794 1 7 ARG H 1 23 TRP HA 3.500 . 5.000 4.175 3.671 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
795 1 37 PHE H 1 37 PHE QE 3.900 . 5.800 4.847 4.668 5.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
796 1 69 TYR QD 1 87 LEU QD 3.500 . 4.100 3.224 2.714 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
797 1 34 GLU H 1 34 GLU HB2 3.300 . 4.700 2.996 2.331 3.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
798 1 67 LEU HA 1 69 TYR H 3.600 . 5.200 4.385 3.694 5.241 0.041 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
799 1 78 LEU HB3 1 86 TYR QD 3.600 . 5.200 3.636 3.132 4.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
800 1 90 ALA HA 1 92 ASP H 3.700 . 5.400 4.346 3.949 4.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
801 1 5 LEU H 1 5 LEU MD1 3.500 . 5.000 4.576 4.397 4.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
802 1 23 TRP HZ3 1 89 GLN HA 3.400 . 4.800 4.473 4.181 4.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
803 1 57 SER HB2 1 59 LYS H 3.400 . 4.800 3.605 2.716 4.864 0.064 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
804 1 76 PHE HB2 1 100 ILE HG12 3.000 . 4.100 3.031 2.553 3.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
805 1 4 PHE QD 1 41 ALA H 3.700 . 5.400 5.391 5.006 5.502 0.102 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
806 1 38 TYR HB2 1 38 TYR QE 3.400 . 4.800 4.407 4.387 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
807 1 5 LEU MD2 1 89 GLN H 3.500 . 5.000 3.147 2.648 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
808 1 50 TYR QD 1 51 HIS HD2 4.000 . 6.000 3.458 2.153 5.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
809 1 30 ILE H 1 99 TRP HZ3 3.500 . 5.000 4.105 3.551 4.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
810 1 61 ALA MB 1 79 ARG H 3.400 . 4.800 4.221 3.571 4.814 0.014 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
811 1 37 PHE H 1 38 TYR H 3.700 . 5.400 4.296 4.042 4.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
812 1 12 GLU H 1 18 ALA MB 3.600 . 5.200 3.684 1.962 5.374 0.174 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
813 1 79 ARG HG3 1 85 GLU HA 3.200 . 4.500 3.983 2.955 4.975 0.475 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
814 1 96 MET ME 1 97 ASN H 3.500 . 5.000 3.420 2.799 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
815 1 76 PHE HZ 1 99 TRP HE3 3.900 . 5.800 4.450 4.057 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
816 1 72 LYS H 1 73 LYS H 3.900 . 5.800 4.024 2.455 4.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
817 1 77 LYS H 1 100 ILE MD 3.500 . 5.000 4.961 4.399 5.081 0.081 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
818 1 2 GLU HA 1 3 GLY HA2 3.500 . 5.000 4.549 4.329 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
819 1 28 CYS HB3 1 37 PHE QE 3.500 . 5.000 3.930 3.095 5.213 0.213 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
820 1 66 ALA H 1 76 PHE H 3.800 . 5.600 4.476 4.199 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
821 1 58 LEU QD 1 61 ALA H 3.500 . 5.000 4.116 3.350 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
822 1 9 HIS HA 1 86 TYR QE 3.700 . 5.400 3.832 3.351 4.323 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
823 1 80 LEU H 1 84 ASN HB2 3.400 . 4.800 4.372 3.400 5.021 0.221 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
824 1 5 LEU H 1 6 ASN H 3.900 . 5.800 4.300 4.241 4.348 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
825 1 90 ALA MB 1 95 GLU H 3.600 . 5.200 4.322 3.839 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
826 1 34 GLU H 1 35 MET HA 3.600 . 5.200 4.834 4.551 5.205 0.005 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
827 1 75 VAL H 1 76 PHE H 3.700 . 5.400 4.495 4.416 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
828 1 8 LYS HB2 1 23 TRP HZ3 3.200 . 4.500 3.887 3.301 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
829 1 59 LYS H 1 60 GLU H 3.800 . 5.600 4.276 3.796 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
830 1 64 GLU QB 1 77 LYS H 3.400 . 4.800 3.244 3.000 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
831 1 9 HIS QB 1 10 GLU H 3.500 . 5.000 3.299 2.817 3.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
832 1 62 ILE HB 1 63 CYS H 3.500 . 5.000 4.063 3.838 4.182 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
833 1 63 CYS HA 1 64 GLU HA 3.500 . 5.000 4.456 4.432 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
834 1 25 ASN HA 1 26 VAL QG 3.500 . 5.000 3.955 3.378 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
835 1 27 TYR H 1 28 CYS H 3.700 . 5.400 4.340 4.064 4.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
836 1 11 TRP H 1 18 ALA MB 3.500 . 5.000 4.155 3.378 5.017 0.017 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
837 1 35 MET HA 1 35 MET HG3 3.400 . 4.800 3.742 3.639 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
838 1 27 TYR QE 1 40 ASP HA 3.700 . 5.400 4.134 4.010 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
839 1 54 VAL H 1 55 PRO HD3 3.600 . 5.200 2.420 2.083 3.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
840 1 23 TRP HZ2 1 69 TYR QD 3.600 . 5.200 2.909 2.279 3.674 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
841 1 66 ALA MB 1 76 PHE H 3.700 . 5.400 3.780 3.288 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
842 1 92 ASP H 1 94 GLU H 3.700 . 5.400 5.272 4.888 5.509 0.109 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
843 1 30 ILE HA 1 34 GLU H 3.600 . 5.200 5.068 4.349 5.363 0.163 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
844 1 6 ASN H 1 88 PHE QE 3.900 . 5.800 5.797 5.553 5.913 0.113 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
845 1 53 GLU HA 1 54 VAL H 2.100 . 2.700 2.316 2.087 2.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
846 1 29 VAL MG2 1 38 TYR QE 2.400 . 3.100 3.051 2.695 3.171 0.071 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
847 1 29 VAL H 1 29 VAL MG2 2.300 . 3.000 2.927 2.596 3.045 0.045 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
848 1 13 ALA H 1 13 ALA MB 2.400 . 3.100 2.700 2.155 3.103 0.003 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
849 1 101 GLN H 1 102 ALA H 2.600 . 3.400 2.680 2.477 2.822 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
850 1 13 ALA HA 1 14 HIS H 2.500 . 3.300 2.623 2.085 3.528 0.228 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
851 1 91 LYS H 1 91 LYS QG 2.600 . 3.400 2.360 1.707 3.348 0.093 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
852 1 40 ASP H 1 44 ALA H 2.900 . 4.000 3.602 3.349 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
853 1 36 GLY H 1 36 GLY HA2 2.700 . 3.600 2.962 2.918 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
854 1 2 GLU HB3 1 27 TYR QE 2.800 . 3.800 2.936 2.160 4.527 0.727 21 8 "[ . *1 .* *2+ . 3* * 4 .* -]" 1
855 1 35 MET H 1 35 MET HG2 2.600 . 3.400 2.389 2.026 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
856 1 16 LYS H 1 16 LYS HA 2.800 . 3.800 2.733 2.255 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
857 1 6 ASN HA 1 26 VAL H 2.800 . 3.800 3.233 2.986 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
858 1 79 ARG QD 1 79 ARG HE 2.600 . 3.400 2.383 2.188 2.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
859 1 34 GLU HA 1 58 LEU H 2.800 . 3.800 2.377 1.760 3.004 0.040 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
860 1 40 ASP H 1 43 SER H 3.100 . 4.300 3.187 2.941 3.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
861 1 22 SER H 1 22 SER HB2 2.700 . 3.600 2.832 2.421 3.703 0.103 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
862 1 103 ILE MG 1 104 SER H 3.000 . 4.100 3.325 3.005 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
863 1 76 PHE QE 1 88 PHE HB3 2.900 . 4.000 2.929 2.700 3.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
864 1 10 GLU HB3 1 11 TRP H 2.800 . 3.800 2.846 2.327 3.996 0.196 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
865 1 92 ASP H 1 95 GLU HB2 2.900 . 4.000 3.134 2.519 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
866 1 19 SER H 1 19 SER QB 2.800 . 3.800 2.830 2.470 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
867 1 22 SER H 1 22 SER HB3 2.800 . 3.800 3.640 3.069 3.976 0.176 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
868 1 31 ASN H 1 34 GLU H 3.000 . 4.100 3.454 2.906 3.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
869 1 56 VAL MG2 1 86 TYR QE 3.000 . 4.100 3.908 3.184 4.287 0.187 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
870 1 4 PHE HZ 1 41 ALA H 3.100 . 4.300 3.651 2.907 4.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
871 1 76 PHE QE 1 99 TRP HB3 2.900 . 4.000 3.324 3.142 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
872 1 76 PHE HB3 1 77 LYS H 2.900 . 4.000 4.011 3.814 4.089 0.089 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
873 1 58 LEU HA 1 59 LYS H 3.100 . 4.300 2.754 2.365 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
874 1 71 LYS H 1 72 LYS H 3.200 . 4.500 3.475 1.909 4.595 0.095 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
875 1 91 LYS H 1 95 GLU HB3 2.900 . 4.000 3.382 3.012 3.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
876 1 10 GLU HB2 1 11 TRP H 2.900 . 4.000 3.470 2.472 4.082 0.082 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
877 1 76 PHE QD 1 88 PHE QD 3.700 . 5.400 3.832 3.466 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
878 1 87 LEU HB3 1 88 PHE H 2.800 . 3.800 3.370 3.076 3.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
879 1 31 ASN H 1 35 MET HA 3.100 . 4.300 2.860 2.319 3.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
880 1 7 ARG H 1 23 TRP HE3 3.200 . 4.500 3.557 2.972 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
881 1 24 HIS HD2 1 26 VAL HB 3.100 . 4.300 2.700 2.080 4.377 0.077 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
882 1 28 CYS H 1 28 CYS HB3 3.000 . 4.100 3.682 3.135 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
883 1 77 LYS H 1 77 LYS QG 2.900 . 4.000 3.196 1.981 4.020 0.020 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
884 1 78 LEU HG 1 88 PHE QD 3.000 . 4.100 3.833 3.254 4.230 0.130 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
885 1 85 GLU QG 1 86 TYR H 3.000 . 4.100 3.760 2.616 4.156 0.056 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
886 1 5 LEU HB3 1 88 PHE QD 3.000 . 4.100 2.109 1.972 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
887 1 66 ALA MB 1 77 LYS H 3.200 . 4.500 3.500 2.991 4.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
888 1 27 TYR H 1 38 TYR H 3.200 . 4.500 3.488 3.102 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
889 1 34 GLU H 1 35 MET H 3.300 . 4.700 4.382 4.108 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
890 1 62 ILE H 1 79 ARG HB3 3.100 . 4.300 3.626 2.720 4.833 0.533 36 1 "[ . 1 . 2 . 3 .+ 4 . 5]" 1
891 1 31 ASN HB2 1 31 ASN QD 3.200 . 4.500 2.958 2.201 3.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
892 1 60 GLU QB 1 61 ALA H 3.300 . 4.700 3.917 3.877 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
893 1 35 MET HG3 1 56 VAL H 3.300 . 4.700 3.500 3.123 3.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
894 1 61 ALA H 1 62 ILE H 3.400 . 4.800 4.471 3.978 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
895 1 71 LYS QG 1 72 LYS H 3.300 . 4.700 4.057 2.489 4.860 0.160 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
896 1 7 ARG H 1 26 VAL H 3.400 . 4.800 3.537 3.122 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
897 1 39 LYS HD3 1 50 TYR QE 3.300 . 4.700 3.773 2.229 5.613 0.913 13 1 "[ . 1 + . 2 . 3 . 4 . 5]" 1
898 1 39 LYS QE 1 50 TYR QE 3.400 . 4.800 3.707 2.134 4.898 0.098 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
899 1 69 TYR HB2 1 87 LEU QD 3.200 . 4.500 4.311 3.644 4.897 0.397 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
900 1 9 HIS HD1 1 86 TYR QE 3.800 . 5.600 3.689 2.117 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
901 1 27 TYR H 1 27 TYR QD 3.700 . 5.400 4.253 4.210 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
902 1 102 ALA H 1 105 SER H 3.800 . 5.600 4.822 4.673 5.646 0.046 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
903 1 63 CYS HB3 1 76 PHE QD 3.600 . 5.200 4.858 4.004 5.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
904 1 67 LEU H 1 67 LEU HB2 2.400 . 3.100 2.238 2.079 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
905 1 47 GLY H 1 48 ILE H 2.700 . 3.600 2.477 2.138 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
906 1 85 GLU H 1 85 GLU QG 2.500 . 3.300 3.290 2.907 3.605 0.305 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
907 1 43 SER HA 1 44 ALA H 2.800 . 3.800 3.525 3.482 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
908 1 63 CYS HB2 1 103 ILE MG 2.400 . 3.100 2.907 2.187 3.157 0.057 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
909 1 10 GLU H 1 10 GLU HB3 2.500 . 3.300 2.893 2.317 3.538 0.238 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
910 1 67 LEU H 1 67 LEU HB3 2.600 . 3.400 3.063 2.349 3.534 0.134 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
911 1 73 LYS H 1 73 LYS QG 2.700 . 3.600 2.647 1.772 3.504 0.028 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
912 1 100 ILE H 1 100 ILE HG12 2.700 . 3.600 3.548 3.423 3.643 0.043 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
913 1 42 LYS H 1 42 LYS QG 2.700 . 3.600 2.297 1.889 3.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
914 1 15 ASN HA 1 16 LYS H 2.900 . 4.000 2.921 2.122 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
915 1 7 ARG QD 1 37 PHE QE 2.900 . 4.000 2.733 2.138 4.021 0.021 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
916 1 91 LYS H 1 91 LYS QD 2.700 . 3.600 2.766 1.761 3.872 0.272 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
917 1 75 VAL MG1 1 88 PHE H 2.700 . 3.600 3.055 2.667 3.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
918 1 73 LYS H 1 73 LYS QB 2.900 . 4.000 2.799 2.228 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
919 1 73 LYS H 1 73 LYS QD 2.900 . 4.000 3.776 1.929 4.145 0.145 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
920 1 74 HIS H 1 74 HIS HD1 3.300 . 4.700 3.741 2.026 4.814 0.114 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
921 1 73 LYS QB 1 74 HIS HD1 3.200 . 4.500 4.016 1.913 4.639 0.139 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
922 1 26 VAL QG 1 50 TYR QD 3.200 . 4.500 2.763 2.055 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
923 1 55 PRO QB 1 56 VAL H 3.000 . 4.100 3.482 3.088 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
924 1 9 HIS HD1 1 12 GLU QB 3.200 . 4.500 3.736 2.419 4.583 0.083 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
925 1 5 LEU H 1 5 LEU HG 3.100 . 4.300 3.956 3.617 4.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
926 1 48 ILE H 1 48 ILE MD 3.100 . 4.300 3.689 3.216 3.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
927 1 10 GLU HA 1 11 TRP H 3.200 . 4.500 3.520 3.390 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
928 1 85 GLU HA 1 86 TYR QD 3.400 . 4.800 4.036 2.909 4.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
929 1 103 ILE HA 1 104 SER H 3.300 . 4.700 3.546 3.460 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
930 1 78 LEU H 1 87 LEU QD 3.300 . 4.700 3.367 3.069 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
931 1 36 GLY H 1 38 TYR QE 3.500 . 5.000 3.815 3.421 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
932 1 42 LYS QG 1 43 SER H 3.200 . 4.500 3.966 1.971 4.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
933 1 71 LYS H 1 71 LYS QB 3.200 . 4.500 2.919 2.376 3.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
934 1 51 HIS H 1 51 HIS QB 3.300 . 4.700 2.851 2.099 3.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
935 1 28 CYS HB3 1 99 TRP HZ3 3.300 . 4.700 3.859 3.295 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
936 1 59 LYS HB2 1 60 GLU H 3.500 . 5.000 4.550 4.207 4.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
937 1 39 LYS H 1 39 LYS HG3 3.400 . 4.800 4.297 2.067 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
938 1 100 ILE HA 1 104 SER H 3.500 . 5.000 4.126 3.568 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
939 1 27 TYR QE 1 41 ALA MB 2.400 . 3.100 2.820 2.289 3.162 0.062 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
940 1 57 SER H 1 57 SER HB3 2.500 . 3.300 3.467 2.517 3.617 0.317 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
941 1 98 THR HB 1 99 TRP H 2.400 . 3.100 2.632 2.483 2.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
942 1 67 LEU HA 1 68 ASP H 2.700 . 3.600 3.464 2.984 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
943 1 12 GLU HA 1 13 ALA H 2.800 . 3.800 2.969 2.087 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
944 1 41 ALA HA 1 44 ALA H 2.700 . 3.600 3.491 3.272 3.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
945 1 13 ALA MB 1 14 HIS H 2.700 . 3.600 2.709 1.761 3.727 0.127 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
946 1 56 VAL H 1 56 VAL MG2 2.700 . 3.600 2.957 2.359 3.841 0.241 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
947 1 88 PHE HB2 1 88 PHE QD 2.900 . 4.000 2.324 2.280 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
948 1 63 CYS HB2 1 78 LEU QD 2.600 . 3.400 2.725 1.979 3.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
949 1 87 LEU QD 1 88 PHE H 2.900 . 4.000 3.633 3.397 4.030 0.030 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
950 1 2 GLU HA 1 29 VAL MG2 2.800 . 3.800 3.196 2.454 3.851 0.051 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
951 1 26 VAL HB 1 27 TYR H 2.900 . 4.000 3.984 2.934 4.094 0.094 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
952 1 4 PHE QE 1 41 ALA H 3.300 . 4.700 3.828 3.408 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
953 1 2 GLU HA 1 29 VAL MG1 3.000 . 4.100 3.854 3.313 4.154 0.054 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
954 1 91 LYS QG 1 92 ASP H 3.100 . 4.300 3.004 1.875 4.517 0.217 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
955 1 50 TYR QE 1 51 HIS HD2 3.700 . 5.400 3.900 2.205 5.486 0.086 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
956 1 86 TYR QB 1 87 LEU H 3.000 . 4.100 2.667 2.200 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
957 1 7 ARG H 1 26 VAL QG 3.100 . 4.300 3.485 2.893 4.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
958 1 92 ASP H 1 96 MET H 3.400 . 4.800 4.054 3.656 4.878 0.078 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
959 1 91 LYS H 1 95 GLU QG 3.400 . 4.800 4.253 2.566 4.872 0.072 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
960 1 56 VAL H 1 57 SER H 3.500 . 5.000 4.380 4.259 4.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
961 1 77 LYS H 1 87 LEU QD 3.300 . 4.700 4.093 3.750 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
962 1 80 LEU HA 1 82 ASP H 3.500 . 5.000 4.217 3.547 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
963 1 39 LYS HG2 1 40 ASP H 3.400 . 4.800 4.227 3.711 4.818 0.018 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
964 1 28 CYS HA 1 36 GLY H 3.400 . 4.800 4.625 4.347 4.824 0.024 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
965 1 4 PHE QD 1 26 VAL H 3.700 . 5.400 4.011 3.153 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
966 1 43 SER H 1 45 ALA H 3.700 . 5.400 4.215 4.034 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
967 1 34 GLU HA 1 34 GLU HB3 2.700 . 3.600 2.619 2.338 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
968 1 79 ARG HA 1 79 ARG HG3 2.600 . 3.400 2.765 2.281 3.499 0.099 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
969 1 79 ARG HA 1 79 ARG HB3 2.700 . 3.600 2.924 2.472 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
970 1 45 ALA H 1 47 GLY H 3.600 . 5.200 3.966 3.697 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
971 1 44 ALA H 1 47 GLY H 3.700 . 5.400 4.546 4.359 4.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
972 1 29 VAL HB 1 38 TYR QE 2.200 . 2.800 2.444 2.113 2.877 0.077 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
973 1 101 GLN QB 1 102 ALA H 2.300 . 3.000 2.616 2.466 2.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
974 1 23 TRP HZ2 1 69 TYR QE 2.800 . 3.800 2.412 2.006 3.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
975 1 89 GLN HA 1 89 GLN QG 3.100 . 4.300 2.445 2.060 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
976 1 11 TRP H 1 12 GLU H 3.800 . 5.600 4.107 3.712 4.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
977 1 16 LYS H 1 17 LYS H 3.800 . 5.600 3.694 2.079 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
978 1 2 GLU HB2 1 27 TYR QE 3.100 . 4.300 3.658 2.249 4.404 0.104 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
979 1 66 ALA HA 1 66 ALA MB 2.100 . 2.700 2.141 2.117 2.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
980 1 56 VAL MG1 1 56 VAL MG2 2.100 . 2.700 2.011 1.963 2.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
981 1 90 ALA HA 1 90 ALA MB 2.200 . 2.800 2.139 2.107 2.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
982 1 5 LEU MD1 1 5 LEU MD2 2.100 . 2.700 1.982 1.932 2.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
983 1 87 LEU MD1 1 87 LEU MD2 2.100 . 2.700 2.062 1.941 2.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
984 1 53 GLU HB2 1 53 GLU QG 1.900 . 2.400 2.346 2.161 2.545 0.145 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
985 1 61 ALA MB 1 78 LEU QD 2.000 . 2.500 2.104 1.916 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
986 1 5 LEU HA 1 5 LEU MD2 2.200 . 2.800 2.071 2.013 2.213 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
987 1 87 LEU HA 1 87 LEU QD 2.200 . 2.800 2.083 1.959 2.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
988 1 80 LEU HA 1 80 LEU QD 2.300 . 3.000 2.217 1.889 3.229 0.229 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
989 1 5 LEU MD2 1 90 ALA HA 2.300 . 3.000 2.361 2.063 2.719 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
990 1 62 ILE HA 1 62 ILE MG 2.300 . 3.000 2.304 2.203 2.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
991 1 81 SER HA 1 81 SER HB2 2.200 . 2.800 2.786 2.522 3.027 0.227 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
992 1 3 GLY H 1 27 TYR QE 2.700 . 3.600 3.530 3.242 3.671 0.071 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
993 1 95 GLU HB2 1 95 GLU QG 2.100 . 2.700 2.298 2.209 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
994 1 29 VAL HA 1 29 VAL MG1 2.400 . 3.100 2.348 2.208 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
995 1 2 GLU QG 1 29 VAL MG2 2.300 . 3.000 2.420 1.967 3.053 0.053 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
996 1 77 LYS QD 1 87 LEU QD 2.300 . 3.000 2.207 1.802 3.020 0.020 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
997 1 67 LEU HB3 1 67 LEU QD 2.400 . 2.800 2.199 2.016 2.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
998 1 5 LEU MD2 1 90 ALA MB 2.500 . 3.300 2.759 2.418 3.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
999 1 7 ARG QB 1 7 ARG QG 2.100 . 2.700 2.097 2.042 2.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1000 1 100 ILE MD 1 100 ILE HG13 2.300 . 3.000 2.127 2.097 2.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1001 1 71 LYS QD 1 71 LYS QG 2.300 . 3.000 2.066 2.002 2.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1002 1 26 VAL HA 1 26 VAL QG 2.600 . 3.400 2.135 2.039 2.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1003 1 7 ARG QB 1 26 VAL QG 2.500 . 3.300 2.235 1.907 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1004 1 26 VAL QG 1 28 CYS HG 2.500 . 3.300 2.208 1.935 3.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1005 1 8 LYS HD3 1 87 LEU QD 2.600 . 3.400 2.247 2.025 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1006 1 64 GLU HA 1 64 GLU QB 2.400 . 3.100 2.360 2.245 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1007 1 26 VAL QG 1 37 PHE QB 2.500 . 3.300 2.414 2.011 3.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1008 1 24 HIS HA 1 24 HIS QB 2.400 . 3.100 2.333 2.165 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1009 1 73 LYS HA 1 73 LYS QB 2.500 . 3.300 2.333 2.146 2.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1010 1 57 SER HA 1 57 SER HB3 2.600 . 3.400 2.389 2.243 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1011 1 48 ILE HA 1 49 PRO HD3 2.700 . 3.600 2.325 2.167 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1012 1 8 LYS HB2 1 8 LYS HG2 2.400 . 3.100 2.898 2.763 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1013 1 80 LEU HA 1 80 LEU QB 2.500 . 3.300 2.355 2.112 2.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1014 1 76 PHE QD 1 77 LYS H 3.200 . 4.500 3.931 3.312 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1015 1 38 TYR HA 1 38 TYR HB2 2.600 . 3.400 3.027 3.021 3.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1016 1 8 LYS HD3 1 8 LYS HG2 2.500 . 3.300 2.808 2.584 3.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1017 1 90 ALA MB 1 95 GLU QG 2.700 . 3.600 3.329 2.464 3.652 0.052 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1018 1 8 LYS HA 1 8 LYS HG2 2.600 . 3.400 2.513 2.217 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1019 1 38 TYR HA 1 54 VAL QG 2.800 . 3.800 3.524 3.068 3.921 0.121 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1020 1 100 ILE HA 1 100 ILE MD 3.000 . 4.100 3.810 3.761 3.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1021 1 10 GLU HA 1 18 ALA MB 2.900 . 4.000 3.616 2.665 4.105 0.105 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1022 1 30 ILE MG 1 31 ASN HA 2.900 . 4.000 3.785 3.450 4.056 0.056 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1023 1 62 ILE HA 1 62 ILE MD 3.000 . 4.100 3.525 2.132 3.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1024 1 8 LYS HB3 1 87 LEU QD 2.800 . 3.800 3.242 2.780 3.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1025 1 35 MET HG3 1 56 VAL HB 2.700 . 3.600 2.617 2.318 3.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1026 1 17 LYS HA 1 17 LYS HG2 3.000 . 4.100 3.010 2.103 4.195 0.095 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1027 1 17 LYS HA 1 18 ALA MB 2.900 . 4.000 3.937 3.685 4.110 0.110 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1028 1 24 HIS H 1 24 HIS HD2 3.500 . 5.000 4.737 3.500 5.245 0.245 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1029 1 38 TYR HA 1 50 TYR HB3 2.800 . 3.800 3.082 2.305 3.912 0.112 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1030 1 5 LEU HA 1 5 LEU MD1 3.000 . 4.100 3.774 3.748 3.822 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1031 1 8 LYS HB3 1 87 LEU HB2 2.700 . 3.600 2.112 1.909 2.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1032 1 64 GLU QB 1 77 LYS QG 2.800 . 3.800 3.220 2.193 3.893 0.093 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1033 1 77 LYS QB 1 77 LYS QE 2.900 . 4.000 2.758 2.024 3.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1034 1 8 LYS HB2 1 8 LYS HD3 2.900 . 4.000 3.149 2.650 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1035 1 63 CYS HB2 1 100 ILE MG 3.000 . 4.100 3.536 2.833 4.445 0.345 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1036 1 64 GLU HA 1 65 VAL QG 3.400 . 4.800 3.387 3.165 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1037 1 17 LYS QB 1 18 ALA MB 3.200 . 4.500 4.131 3.183 4.662 0.162 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1038 1 39 LYS H 1 50 TYR QD 3.600 . 5.200 3.957 3.215 4.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1039 1 27 TYR QD 1 28 CYS H 3.600 . 5.200 3.772 3.198 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1040 1 38 TYR HA 1 38 TYR HB3 3.000 . 4.100 2.462 2.411 2.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1041 1 29 VAL MG1 1 31 ASN HA 3.400 . 4.800 4.473 4.061 4.804 0.004 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1042 1 80 LEU HA 1 81 SER HA 3.300 . 4.700 4.360 4.276 4.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1043 1 24 HIS QB 1 26 VAL QG 3.400 . 4.800 4.071 2.849 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1044 1 8 LYS HB2 1 8 LYS HD2 2.800 . 3.800 3.528 3.003 3.898 0.098 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1045 1 8 LYS HB2 1 87 LEU QD 3.300 . 4.700 4.350 3.627 4.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1046 1 7 ARG HA 1 7 ARG QB 3.100 . 4.300 2.387 2.321 2.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1047 1 87 LEU HA 1 87 LEU HG 3.100 . 4.300 3.271 2.124 3.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1048 1 11 TRP QB 1 85 GLU QB 3.100 . 4.300 2.249 1.930 2.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1049 1 23 TRP HE3 1 89 GLN H 3.700 . 5.400 4.679 4.388 5.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1050 1 26 VAL QG 1 27 TYR HB2 3.300 . 4.700 4.093 3.937 4.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1051 1 26 VAL HA 1 27 TYR HA 3.300 . 4.700 4.408 4.368 4.450 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1052 1 86 TYR H 1 86 TYR QE 3.900 . 5.800 4.879 4.363 5.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1053 1 4 PHE HZ 1 27 TYR QE 3.900 . 5.800 4.687 4.158 5.242 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1054 1 8 LYS HE2 1 8 LYS HG2 3.100 . 4.300 3.179 2.503 3.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1055 1 5 LEU HB2 1 28 CYS HB2 3.200 . 4.500 3.379 2.916 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1056 1 58 LEU HA 1 58 LEU QD 2.100 . 2.700 2.156 2.000 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1057 1 71 LYS QB 1 71 LYS QG 1.900 . 2.400 2.063 2.005 2.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1058 1 56 VAL MG1 1 80 LEU QD 2.200 . 2.800 1.970 1.754 2.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1059 1 70 LYS HD2 1 70 LYS QE 2.100 . 2.700 2.279 2.156 2.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1060 1 77 LYS QG 1 87 LEU QD 2.500 . 3.300 2.309 1.850 3.402 0.102 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1061 1 75 VAL MG2 1 89 GLN QG 2.400 . 3.100 2.258 1.816 3.214 0.114 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1062 1 17 LYS QD 1 17 LYS HG3 2.500 . 3.300 2.331 2.155 2.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1063 1 75 VAL MG1 1 87 LEU QD 2.600 . 3.400 2.797 2.280 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1064 1 31 ASN HA 1 31 ASN HB2 2.500 . 3.300 2.562 2.436 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1065 1 4 PHE H 1 27 TYR QE 3.100 . 4.300 3.833 3.188 4.303 0.003 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1066 1 91 LYS HB2 1 91 LYS QD 2.400 . 3.100 2.660 1.987 3.310 0.210 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1067 1 2 GLU QG 1 29 VAL MG1 2.700 . 3.600 2.350 1.925 3.644 0.044 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1068 1 7 ARG QD 1 26 VAL QG 2.600 . 3.400 2.474 2.090 3.418 0.018 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1069 1 66 ALA MB 1 75 VAL HB 2.500 . 3.300 2.336 1.973 3.208 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1070 1 103 ILE MG 1 104 SER HA 2.900 . 4.000 3.450 3.187 4.293 0.293 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1071 1 63 CYS HB3 1 63 CYS HG 3.100 . 4.300 2.917 2.446 3.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1072 1 92 ASP H 1 95 GLU H 3.400 . 4.800 3.960 3.611 4.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1073 1 8 LYS H 1 23 TRP HZ3 3.100 . 4.300 3.981 3.369 4.320 0.020 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1074 1 35 MET HG2 1 56 VAL HB 2.800 . 3.800 2.916 2.217 3.857 0.057 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1075 1 6 ASN HA 1 23 TRP HE3 3.200 . 4.500 3.787 3.505 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1076 1 8 LYS HB2 1 23 TRP HA 3.000 . 4.100 2.755 2.177 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1077 1 6 ASN HA 1 24 HIS H 3.500 . 5.000 4.475 4.030 5.034 0.034 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1078 1 7 ARG QG 1 86 TYR QB 3.000 . 4.100 2.609 2.157 3.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1079 1 75 VAL HB 1 75 VAL MG2 2.000 . 2.500 2.109 2.081 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1080 1 62 ILE MD 1 62 ILE HG12 2.300 . 3.000 2.125 2.094 2.148 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1081 1 100 ILE HG12 1 100 ILE MG 2.500 . 3.300 2.402 2.334 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1082 1 48 ILE HB 1 48 ILE MD 2.300 . 3.000 2.388 2.089 3.202 0.202 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1083 1 8 LYS HD2 1 87 LEU QD 2.600 . 3.400 3.031 2.240 3.475 0.075 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1084 1 104 SER HA 1 104 SER HB2 2.500 . 3.300 3.007 2.504 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1085 1 73 LYS QB 1 73 LYS QD 2.400 . 3.100 2.221 2.050 2.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1086 1 87 LEU HB2 1 87 LEU QD 2.600 . 3.400 2.333 2.035 2.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1087 1 22 SER HA 1 22 SER HB3 2.700 . 3.600 2.419 2.238 3.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1088 1 99 TRP HB3 1 103 ILE MD 2.700 . 3.600 2.551 2.199 2.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1089 1 65 VAL QG 1 96 MET ME 2.900 . 4.000 2.242 1.938 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1090 1 63 CYS HB3 1 78 LEU QD 2.900 . 4.000 3.976 3.422 4.137 0.137 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1091 1 80 LEU HA 1 80 LEU HG 2.800 . 3.800 3.056 2.193 3.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1092 1 66 ALA HA 1 69 TYR HB2 3.100 . 4.300 4.291 3.496 4.983 0.683 36 1 "[ . 1 . 2 . 3 .+ 4 . 5]" 1
1093 1 50 TYR H 1 50 TYR QD 3.800 . 5.600 4.221 3.873 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1094 1 99 TRP HB2 1 100 ILE HG13 3.300 . 4.700 3.548 3.406 3.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1095 1 50 TYR QD 1 51 HIS H 3.800 . 5.600 3.696 2.015 4.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1096 1 56 VAL HB 1 56 VAL MG1 2.100 . 2.700 2.124 2.099 2.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1097 1 103 ILE HA 1 103 ILE MG 2.200 . 2.800 2.502 2.355 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1098 1 77 LYS QB 1 87 LEU QD 2.600 . 3.400 2.678 2.078 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1099 1 63 CYS HB2 1 63 CYS HG 2.700 . 3.600 2.802 2.438 3.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1100 1 63 CYS HG 1 100 ILE HG12 2.700 . 3.600 3.097 1.977 3.602 0.002 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1101 1 7 ARG H 1 25 ASN HA 3.300 . 4.700 3.464 3.035 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1102 1 64 GLU HA 1 65 VAL HA 3.200 . 4.500 4.403 4.368 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1103 1 69 TYR HB3 1 75 VAL MG2 3.200 . 4.500 2.789 2.208 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1104 1 24 HIS HA 1 25 ASN QB 3.300 . 4.700 4.110 3.993 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1105 1 7 ARG HA 1 8 LYS HA 3.300 . 4.700 4.447 4.421 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1106 1 20 SER HA 1 20 SER HB3 2.100 . 2.700 2.403 2.234 3.033 0.333 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1107 1 57 SER HA 1 57 SER HB2 2.200 . 2.800 2.947 2.489 3.004 0.204 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1108 1 64 GLU QB 1 77 LYS QB 2.400 . 3.100 2.257 1.992 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1109 1 69 TYR HB2 1 75 VAL MG1 3.000 . 4.100 3.719 2.719 4.605 0.505 36 1 "[ . 1 . 2 . 3 .+ 4 . 5]" 1
1110 1 87 LEU HA 1 87 LEU HB2 2.900 . 4.000 3.031 2.980 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1111 1 76 PHE HB3 1 96 MET QG 3.300 . 4.700 3.005 2.425 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1112 1 58 LEU QD 1 58 LEU HG 2.000 . 2.400 1.884 1.864 1.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1113 1 87 LEU HA 1 87 LEU HB3 2.800 . 3.800 2.455 2.365 2.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1114 1 49 PRO QB 1 49 PRO QG 1.900 . 2.400 1.963 1.956 1.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1115 1 30 ILE MD 1 99 TRP HA 3.200 . 4.500 3.868 3.398 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 435
_Distance_constraint_stats_list.Viol_count 1319
_Distance_constraint_stats_list.Viol_total 6276.184
_Distance_constraint_stats_list.Viol_max 0.941
_Distance_constraint_stats_list.Viol_rms 0.0368
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0952
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.966 0.158 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 3 GLY 2.752 0.197 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 PHE 0.121 0.027 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 LEU 6.954 0.147 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 ASN 1.961 0.300 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 ARG 1.984 0.173 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 LYS 11.136 0.804 12 7 "[ . 1 + *. 2 *. * 3 - . *4 . *5]"
1 9 HIS 0.013 0.013 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 GLU 11.431 0.804 12 7 "[ . 1 + *. 2 *. * 3 - . *4 . *5]"
1 11 TRP 0.045 0.045 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 GLU 4.654 0.634 22 1 "[ . 1 . 2 + . 3 . 4 . 5]"
1 13 ALA 4.097 0.634 22 1 "[ . 1 . 2 + . 3 . 4 . 5]"
1 14 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 ASN 1.550 0.279 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 LYS 1.165 0.271 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 LYS 6.411 0.279 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 ALA 0.013 0.013 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 SER 1.356 0.315 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 SER 0.400 0.192 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 22 SER 0.011 0.011 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 TRP 9.908 0.239 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 HIS 5.501 0.239 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 VAL 0.765 0.122 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 TYR 12.772 0.617 36 5 "[ . 1 *. 2 . 3 - .+ 4 ** 5]"
1 28 CYS 4.702 0.147 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 VAL 16.478 0.617 36 5 "[ . 1 *. 2 . 3 - .+ 4 ** 5]"
1 30 ILE 2.476 0.368 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 ASN 12.976 0.617 36 5 "[ . 1 *. 2 . 3 - .+ 4 ** 5]"
1 32 ASN 1.431 0.292 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 GLU 3.117 0.193 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 MET 4.979 0.147 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 PHE 3.991 0.144 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 TYR 6.405 0.370 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 LYS 2.304 0.351 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 ASP 0.917 0.144 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 ALA 0.352 0.079 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 LYS 6.598 0.216 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 SER 2.131 0.144 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 ALA 13.460 0.617 36 5 "[ . 1 *. 2 . 3 - .+ 4 ** 5]"
1 45 ALA 6.232 0.216 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 SER 6.232 0.216 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 GLY 4.445 0.370 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 ILE 0.182 0.095 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 PRO 1.782 0.081 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 TYR 0.406 0.276 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 HIS 1.202 0.171 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 SER 2.484 0.315 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 GLU 4.944 0.836 7 1 "[ . + 1 . 2 . 3 . 4 . 5]"
1 54 VAL 1.445 0.353 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 VAL 1.416 0.144 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 SER 3.693 0.193 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 LEU 3.878 0.271 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 59 LYS 15.302 0.941 8 9 "[ * .* +** *. 2 * . * 3 . 4 . - 5]"
1 60 GLU 13.587 0.941 8 9 "[ * .* +** *. 2 * . * 3 . 4 . - 5]"
1 61 ALA 4.809 0.155 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 62 ILE 2.105 0.231 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 63 CYS 4.879 0.368 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 64 GLU 0.130 0.035 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 65 VAL 0.251 0.095 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 66 ALA 10.928 0.634 22 1 "[ . 1 . 2 + . 3 . 4 . 5]"
1 67 LEU 0.050 0.049 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 68 ASP 0.053 0.049 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 69 TYR 3.920 0.300 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 70 LYS 1.825 0.351 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 71 LYS 1.802 0.173 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 72 LYS 0.269 0.072 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 73 LYS 0.014 0.013 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 74 HIS 0.174 0.050 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 75 VAL 3.790 0.300 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 76 PHE 1.204 0.118 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 LYS 8.698 0.634 22 1 "[ . 1 . 2 + . 3 . 4 . 5]"
1 78 LEU 9.038 0.292 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 79 ARG 1.089 0.292 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 80 LEU 3.624 0.231 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 82 ASP 3.140 0.197 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 GLY 1.917 0.197 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 84 ASN 6.203 0.423 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 85 GLU 0.078 0.078 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 86 TYR 10.428 0.804 12 7 "[ . 1 + *. 2 *. * 3 - . *4 . *5]"
1 87 LEU 7.891 0.634 22 1 "[ . 1 . 2 + . 3 . 4 . 5]"
1 88 PHE 3.230 0.144 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 89 GLN 0.112 0.050 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 90 ALA 4.673 0.428 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 91 LYS 1.785 0.428 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 92 ASP 1.934 0.584 38 1 "[ . 1 . 2 . 3 . + 4 . 5]"
1 93 ASP 1.454 0.213 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 94 GLU 4.839 0.836 7 2 "[ . + 1 . 2 . 3 . - 4 . 5]"
1 95 GLU 8.307 0.380 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 96 MET 3.378 0.353 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 97 ASN 2.893 0.300 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 98 THR 2.990 0.353 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 99 TRP 11.451 0.370 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 100 ILE 3.534 0.368 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 GLN 11.762 0.584 38 1 "[ . 1 . 2 . 3 . + 4 . 5]"
1 102 ALA 6.773 0.216 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 103 ILE 2.282 0.231 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 104 SER 14.320 0.381 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 105 SER 7.227 0.584 38 1 "[ . 1 . 2 . 3 . + 4 . 5]"
1 106 ALA 0.030 0.030 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 2 GLU H 1 29 VAL HA 3.500 . 4.900 3.795 3.170 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
2 1 4 PHE HA 1 26 VAL QG 4.500 . 6.500 3.064 2.718 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
3 1 5 LEU HB2 1 37 PHE QE 4.000 . 5.700 4.396 4.071 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
4 1 5 LEU HB2 1 76 PHE QE 5.000 . 7.300 4.764 4.573 4.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
5 1 5 LEU HB3 1 99 TRP HZ3 5.000 . 7.300 6.940 6.573 7.318 0.018 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
6 1 5 LEU HG 1 76 PHE QE 4.000 . 5.700 4.288 3.988 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
7 1 7 ARG HA 1 23 TRP HH2 4.000 . 5.700 4.312 4.028 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
8 1 11 TRP HH2 1 85 GLU QB 4.500 . 6.500 6.056 5.304 6.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
9 1 16 LYS QB 1 17 LYS H 3.500 . 4.900 2.789 2.004 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
10 1 23 TRP HZ2 1 87 LEU QB 4.500 . 6.500 3.072 2.797 3.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
11 1 27 TYR HB2 1 28 CYS H 2.500 . 8.000 4.318 4.171 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
12 1 28 CYS HA 1 37 PHE HZ 4.500 . 6.500 5.309 5.135 5.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
13 1 34 GLU QB 1 35 MET H 3.500 . 4.900 2.774 2.101 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
14 1 38 TYR QD 1 43 SER QB 4.000 . 5.700 3.289 2.521 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
15 1 38 TYR QE 1 43 SER QB 4.000 . 5.700 5.122 4.376 5.704 0.004 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
16 1 39 LYS QB 1 50 TYR QD 4.000 . 4.300 2.662 1.839 3.182 0.061 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
17 1 40 ASP HA 1 43 SER QB 3.500 . 4.900 4.450 4.165 5.044 0.144 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
18 1 40 ASP H 1 43 SER QB 4.000 . 5.700 1.876 1.713 2.675 0.087 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
19 1 52 SER QB 1 53 GLU H 3.500 . 4.900 2.688 1.828 3.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
20 1 54 VAL HA 1 55 PRO QD 3.000 . 4.000 3.550 2.030 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
21 1 34 GLU QG 1 57 SER H 3.000 . 4.000 3.804 3.397 4.144 0.144 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
22 1 56 VAL HB 1 86 TYR QE 10.000 . 14.300 4.976 4.531 5.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
23 1 58 LEU QB 1 59 LYS H 3.000 . 4.000 3.816 2.021 4.013 0.013 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
24 1 58 LEU QD 1 59 LYS H 3.500 . 4.900 4.242 3.491 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
25 1 59 LYS QB 1 60 GLU H 4.000 . 5.700 3.882 3.594 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
26 1 59 LYS HB3 1 60 GLU H 4.500 . 6.500 3.425 2.656 3.971 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
27 1 62 ILE QG 1 79 ARG H 4.500 . 6.500 5.029 4.411 5.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
28 1 64 GLU H 1 65 VAL QG 3.500 . 4.900 2.441 2.253 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
29 1 64 GLU H 1 76 PHE HB2 3.500 . 4.100 3.614 3.331 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
30 1 70 LYS QD 1 71 LYS H 4.500 . 6.500 4.979 3.487 6.086 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
31 1 73 LYS QG 1 74 HIS H 4.000 . 5.700 3.841 1.884 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
32 1 76 PHE QD 1 90 ALA MB 4.500 . 6.500 3.454 3.063 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
33 1 76 PHE QE 1 99 TRP QB 3.500 . 4.900 3.000 2.807 3.211 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
34 1 77 LYS QB 1 78 LEU H 4.000 . 5.700 3.174 2.397 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
35 1 78 LEU H 1 78 LEU QD 4.500 . 6.500 3.759 3.597 3.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
36 1 79 ARG QB 1 80 LEU H 3.500 . 4.900 3.781 3.184 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
37 1 80 LEU QB 1 86 TYR QD 3.500 . 4.900 4.496 4.068 4.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
38 1 80 LEU QB 1 86 TYR QE 4.500 . 6.500 4.484 3.759 5.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
39 1 28 CYS HG 1 88 PHE QD 3.000 . 4.000 3.230 2.924 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
40 1 11 TRP HZ3 1 86 TYR QE 4.000 . 7.700 6.329 5.966 6.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
41 1 87 LEU QB 1 88 PHE H 2.100 . 6.000 3.234 2.989 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
42 1 89 GLN QB 1 90 ALA H 4.500 . 6.500 3.678 3.278 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
43 1 91 LYS QB 1 92 ASP H 3.000 . 4.000 3.195 2.358 3.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
44 1 93 ASP HA 1 96 MET H 3.500 . 4.900 3.294 3.050 3.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
45 1 94 GLU HA 1 97 ASN H 3.000 . 4.000 3.459 3.198 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
46 1 94 GLU HA 1 96 MET H 3.500 . 4.900 3.428 3.231 3.465 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
47 1 94 GLU HA 1 98 THR HG1 4.500 . 6.500 2.847 2.128 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
48 1 94 GLU HA 1 98 THR H 3.000 . 4.000 3.316 3.182 3.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
49 1 98 THR HA 1 101 GLN QG 3.500 . 4.900 3.857 3.043 4.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
50 1 98 THR HA 1 101 GLN H 3.000 . 4.000 3.570 3.346 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
51 1 98 THR HA 1 102 ALA H 3.000 . 4.000 3.352 3.142 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
52 1 102 ALA HA 1 105 SER H 4.000 . 5.700 3.323 3.130 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
53 1 31 ASN H 1 34 GLU H 3.100 2.600 3.600 3.117 2.631 3.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
54 1 11 TRP HE1 1 11 TRP HZ2 2.500 2.100 2.900 2.352 2.228 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
55 1 37 PHE H 1 37 PHE QD 2.600 2.200 3.000 2.460 2.170 2.722 0.030 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
56 1 37 PHE QE 1 37 PHE HZ 2.200 . 2.500 1.927 1.853 2.154 0.047 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
57 1 37 PHE QD 1 37 PHE HZ 3.100 2.600 3.600 3.494 3.364 3.697 0.097 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
58 1 28 CYS HA 1 37 PHE QD 3.200 2.700 3.700 3.252 2.851 3.727 0.027 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
59 1 76 PHE HA 1 76 PHE QD 3.100 2.600 3.600 3.462 3.302 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
60 1 34 GLU HA 1 35 MET H 2.000 . 2.300 1.974 1.909 2.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
61 1 4 PHE H 1 4 PHE HA 2.800 2.400 3.200 2.603 2.573 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
62 1 3 GLY H 1 29 VAL HA 3.100 2.600 3.600 2.957 2.403 3.413 0.197 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
63 1 46 SER HA 1 47 GLY H 2.800 2.400 3.200 2.759 2.651 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
64 1 5 LEU H 1 5 LEU HA 2.700 2.300 3.100 2.786 2.482 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
65 1 43 SER HB2 1 48 ILE H 2.800 2.400 3.200 2.852 2.671 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
66 1 68 ASP HA 1 69 TYR H 2.600 2.200 3.000 2.455 2.196 2.772 0.004 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
67 1 58 LEU H 1 58 LEU HA 2.500 2.100 2.900 2.618 2.583 2.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
68 1 93 ASP H 1 93 ASP HA 2.800 2.400 3.200 2.517 2.194 2.572 0.206 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
69 1 4 PHE QE 1 40 ASP HA 2.700 2.300 3.100 2.827 2.289 3.124 0.024 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
70 1 19 SER HA 1 20 SER H 2.500 2.100 2.900 2.548 2.097 2.809 0.003 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
71 1 94 GLU H 1 94 GLU HA 2.400 . 2.800 2.721 2.635 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
72 1 94 GLU HA 1 95 GLU H 2.600 2.200 3.000 2.720 2.650 2.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
73 1 51 HIS HA 1 52 SER H 2.400 . 2.800 2.447 1.988 2.819 0.019 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
74 1 42 LYS HA 1 45 ALA H 2.500 2.100 2.900 2.730 2.695 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
75 1 101 GLN HA 1 104 SER H 2.600 2.200 3.000 3.127 2.618 3.381 0.381 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
76 1 42 LYS HA 1 46 SER H 2.400 . 2.800 2.925 2.844 3.016 0.216 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
77 1 20 SER H 1 20 SER HB2 2.500 2.100 2.900 2.573 2.313 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
78 1 101 GLN HA 1 103 ILE H 3.000 2.500 3.500 3.412 3.335 3.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
79 1 46 SER QB 1 48 ILE H 2.800 2.400 3.200 2.853 2.739 2.960 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
80 1 52 SER HB3 1 53 GLU H 2.500 2.100 2.900 2.718 1.897 2.801 0.203 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
81 1 19 SER H 1 19 SER QB 2.600 2.200 3.000 2.709 1.885 3.248 0.315 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
82 1 46 SER QB 1 48 ILE H 2.700 2.300 3.100 2.564 2.482 2.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
83 1 23 TRP HB3 1 24 HIS H 2.800 2.400 3.200 2.613 2.161 3.094 0.239 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
84 1 11 TRP QB 1 11 TRP HD1 2.700 2.300 3.100 2.393 2.336 2.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
85 1 38 TYR HB3 1 38 TYR QD 2.500 2.100 2.900 2.317 2.189 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
86 1 28 CYS HB2 1 99 TRP HZ3 3.000 2.500 3.500 3.119 2.942 3.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
87 1 6 ASN H 1 6 ASN HB2 2.300 . 2.600 2.230 2.113 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
88 1 6 ASN H 1 89 GLN QB 3.000 2.500 3.500 3.239 2.887 3.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
89 1 53 GLU H 1 53 GLU QG 2.400 . 2.800 2.522 1.904 2.966 0.166 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
90 1 27 TYR HB3 1 38 TYR H 2.600 2.200 3.000 2.884 2.607 3.042 0.042 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
91 1 84 ASN H 1 84 ASN HB3 2.600 2.200 3.000 2.802 2.380 3.423 0.423 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
92 1 78 LEU H 1 78 LEU HB2 2.300 . 2.600 2.389 2.101 2.645 0.045 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
93 1 80 LEU QB 1 84 ASN H 2.800 2.400 3.200 2.730 2.169 3.284 0.231 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
94 1 53 GLU H 1 53 GLU HB2 2.300 . 2.600 2.322 1.930 3.436 0.836 7 1 "[ . + 1 . 2 . 3 . 4 . 5]" 2
95 1 2 GLU H 1 2 GLU QG 2.800 2.400 3.200 2.957 2.323 3.358 0.158 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
96 1 60 GLU QB 1 60 GLU QG 1.500 . 1.700 1.672 1.649 1.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
97 1 28 CYS HB3 1 37 PHE QD 2.900 2.500 3.300 3.320 3.072 3.413 0.113 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
98 1 29 VAL H 1 29 VAL HB 2.200 . 2.500 2.275 2.114 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
99 1 2 GLU H 1 2 GLU HB3 2.600 2.200 3.000 2.571 2.174 2.974 0.026 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
100 1 63 CYS HB2 1 63 CYS HG 2.600 2.200 3.000 2.406 1.931 2.948 0.269 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
101 1 12 GLU H 1 12 GLU QB 2.700 2.300 3.100 2.386 2.256 2.574 0.044 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
102 1 30 ILE HB 1 31 ASN H 2.800 2.400 3.200 2.889 2.397 3.171 0.003 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
103 1 39 LYS QB 1 39 LYS HG2 2.500 2.100 2.900 2.228 2.022 2.492 0.078 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
104 1 100 ILE H 1 100 ILE HB 2.300 . 2.600 2.221 2.092 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
105 1 39 LYS QB 1 39 LYS HG2 1.900 . 2.200 1.969 1.865 2.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
106 1 30 ILE HB 1 32 ASN H 2.800 2.400 3.200 2.990 2.388 3.336 0.136 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
107 1 39 LYS QB 1 39 LYS HG3 1.900 . 2.100 1.919 1.833 1.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
108 1 70 LYS QD 1 70 LYS QE 2.200 . 2.500 2.023 1.934 2.105 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
109 1 16 LYS QB 1 17 LYS H 2.600 2.200 3.000 2.542 2.001 3.271 0.271 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
110 1 5 LEU HB2 1 28 CYS HG 2.600 2.200 3.000 2.301 2.053 2.950 0.147 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
111 1 7 ARG QB 1 24 HIS HD2 2.900 2.500 3.300 2.760 2.327 3.422 0.173 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
112 1 7 ARG QB 1 88 PHE QE 2.500 2.100 2.900 2.304 2.098 2.622 0.002 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
113 1 5 LEU HB2 1 88 PHE QD 2.700 2.300 3.100 2.709 2.213 3.229 0.129 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
114 1 42 LYS QD 1 42 LYS QG 1.700 . 2.000 1.830 1.763 1.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
115 1 59 LYS HD3 1 60 GLU QG 2.700 2.300 3.100 3.015 2.061 4.041 0.941 8 9 "[ * .* +** *. 2 * . * 3 . 4 . - 5]" 2
116 1 16 LYS QD 1 16 LYS QG 1.900 . 2.200 1.995 1.914 2.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
117 1 12 GLU HG3 1 13 ALA MB 2.800 2.400 3.200 3.087 2.428 3.628 0.428 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
118 1 12 GLU HG3 1 13 ALA MB 2.900 2.500 3.300 3.168 2.400 3.934 0.634 22 1 "[ . 1 . 2 + . 3 . 4 . 5]" 2
119 1 61 ALA MB 1 78 LEU QD 2.000 . 2.300 1.981 1.760 2.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
120 1 41 ALA H 1 41 ALA MB 2.000 . 2.300 1.931 1.671 2.186 0.029 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
121 1 23 TRP HH2 1 87 LEU HB2 2.400 . 2.800 2.629 2.266 2.879 0.079 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
122 1 54 VAL HB 1 54 VAL QG 2.000 . 2.300 1.766 1.752 1.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
123 1 87 LEU H 1 87 LEU QB 2.500 2.100 2.900 2.550 2.056 2.757 0.044 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
124 1 23 TRP HH2 1 87 LEU QB 2.500 2.100 2.900 2.658 2.403 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
125 1 17 LYS QB 1 17 LYS HG2 2.300 . 2.600 1.962 1.845 2.239 0.155 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
126 1 17 LYS QD 1 17 LYS HG2 2.100 . 2.400 1.948 1.705 2.086 0.095 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
127 1 58 LEU HG 1 103 ILE MG 2.800 2.400 3.200 2.798 2.169 3.157 0.231 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
128 1 30 ILE HB 1 30 ILE MD 1.800 . 2.100 1.992 1.960 2.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
129 1 17 LYS QB 1 17 LYS HG3 1.700 . 2.000 1.967 1.813 2.135 0.135 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
130 1 30 ILE MD 1 103 ILE HG13 2.700 2.300 3.100 2.468 2.257 2.827 0.043 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
131 1 69 TYR QD 1 75 VAL QG 2.500 2.100 2.900 2.523 2.120 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
132 1 8 LYS HD2 1 69 TYR QE 2.900 2.500 3.300 3.155 2.649 3.589 0.289 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
133 1 65 VAL HA 1 100 ILE MD 2.600 2.200 3.000 2.881 2.486 3.095 0.095 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
134 1 30 ILE HB 1 30 ILE MG 1.800 . 2.100 1.812 1.792 1.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
135 1 30 ILE HB 1 30 ILE MG 1.900 . 2.200 1.965 1.931 2.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
136 1 5 LEU MD2 1 99 TRP HD1 2.500 2.100 2.900 2.204 1.978 2.553 0.122 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
137 1 4 PHE QE 1 4 PHE HZ 2.200 . 2.800 2.078 2.027 2.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
138 1 37 PHE QE 1 37 PHE HZ 2.200 . 2.800 2.057 1.914 2.175 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
139 1 16 LYS H 1 16 LYS QG 2.200 . 2.800 2.146 1.932 2.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
140 1 67 LEU QD 1 74 HIS HD2 2.300 . 3.000 2.334 1.906 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
141 1 36 GLY HA3 1 37 PHE H 2.200 . 2.800 2.271 2.038 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
142 1 58 LEU H 1 58 LEU HB2 2.100 . 2.700 2.443 2.180 2.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
143 1 13 ALA H 1 13 ALA HA 2.400 . 3.100 2.379 2.037 2.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
144 1 5 LEU HB2 1 88 PHE QE 2.400 . 3.100 2.605 2.191 3.103 0.003 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
145 1 14 HIS HA 1 15 ASN H 2.400 . 3.100 2.459 1.962 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
146 1 53 GLU H 1 53 GLU HA 2.400 . 3.100 2.402 2.133 2.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
147 1 19 SER H 1 19 SER HA 2.400 . 3.100 2.550 2.184 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
148 1 51 HIS QB 1 51 HIS HD1 2.400 . 3.100 2.381 2.314 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
149 1 5 LEU HB3 1 88 PHE QE 2.500 . 3.300 3.250 2.896 3.444 0.144 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
150 1 12 GLU H 1 13 ALA H 2.500 . 3.300 2.087 1.666 2.619 0.034 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
151 1 47 GLY HA2 1 48 ILE H 2.600 . 3.400 2.422 2.195 2.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
152 1 28 CYS HB3 1 37 PHE QD 2.600 . 3.400 3.250 3.053 3.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
153 1 8 LYS HD2 1 23 TRP HZ2 2.400 . 3.100 2.902 2.706 3.198 0.098 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
154 1 5 LEU MD1 1 76 PHE QE 2.700 . 3.600 3.003 2.762 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
155 1 56 VAL MG2 1 57 SER H 2.600 . 3.400 3.060 2.059 3.515 0.115 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
156 1 82 ASP QB 1 83 GLY H 2.700 . 3.600 2.934 1.742 3.358 0.058 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
157 1 29 VAL HA 1 99 TRP HZ3 2.800 . 3.800 3.784 3.527 3.881 0.081 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
158 1 38 TYR QE 1 47 GLY HA3 2.800 . 3.800 3.851 3.428 4.170 0.370 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
159 1 5 LEU H 1 26 VAL H 2.900 . 4.000 3.191 2.800 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
160 1 16 LYS H 1 16 LYS QB 2.700 . 3.600 2.881 2.131 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
161 1 78 LEU HB2 1 88 PHE QE 2.700 . 3.600 2.325 2.112 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
162 1 93 ASP HB2 1 94 GLU H 2.600 . 3.400 3.288 1.876 3.613 0.213 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
163 1 63 CYS H 1 64 GLU H 3.000 . 4.100 3.676 3.567 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
164 1 26 VAL HA 1 50 TYR QE 3.000 . 4.100 3.460 2.644 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
165 1 36 GLY HA3 1 38 TYR QE 2.900 . 4.000 2.319 2.105 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
166 1 8 LYS H 1 8 LYS HB3 2.700 . 3.600 2.622 2.382 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
167 1 100 ILE H 1 100 ILE MD 2.600 . 3.400 2.880 2.638 2.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
168 1 23 TRP HB2 1 24 HIS H 2.800 . 3.800 2.648 2.166 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
169 1 4 PHE QD 1 26 VAL H 3.200 . 4.500 3.601 3.035 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
170 1 34 GLU HA 1 34 GLU HB2 2.600 . 3.400 2.469 2.027 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
171 1 35 MET ME 1 86 TYR QE 3.000 . 4.100 3.540 3.052 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
172 1 4 PHE HB2 1 91 LYS QG 3.100 . 4.300 3.646 2.372 4.327 0.027 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
173 1 37 PHE QD 1 54 VAL QG 3.100 . 4.300 3.138 2.428 3.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
174 1 76 PHE H 1 89 GLN HA 2.800 . 3.800 2.836 2.737 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
175 1 65 VAL HB 1 66 ALA H 2.800 . 3.800 3.612 3.380 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
176 1 38 TYR QD 1 49 PRO QB 3.000 . 4.100 3.899 3.534 4.159 0.059 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
177 1 76 PHE HB3 1 76 PHE QE 3.000 . 4.100 3.312 3.062 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
178 1 98 THR HA 1 99 TRP H 3.100 . 4.300 2.734 2.715 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
179 1 58 LEU HB2 1 59 LYS H 2.900 . 4.000 3.505 3.159 3.721 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
180 1 30 ILE MG 1 35 MET H 2.800 . 3.800 3.239 2.631 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
181 1 38 TYR QD 1 47 GLY HA2 3.200 . 4.500 3.576 3.346 3.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
182 1 23 TRP HH2 1 88 PHE QD 3.400 . 4.800 4.681 4.308 4.904 0.104 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
183 1 76 PHE QE 1 99 TRP HE3 3.300 . 4.700 4.062 3.960 4.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
184 1 96 MET HA 1 99 TRP HD1 3.300 . 4.700 2.858 2.567 3.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
185 1 62 ILE H 1 80 LEU HA 3.000 . 4.100 3.214 2.878 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
186 1 4 PHE H 1 27 TYR QD 3.100 . 4.300 3.484 3.152 3.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
187 1 71 LYS QE 1 72 LYS H 3.100 . 4.300 4.054 3.303 4.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
188 1 27 TYR QD 1 41 ALA MB 3.000 . 4.100 3.716 3.538 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
189 1 37 PHE HZ 1 86 TYR QE 3.600 . 5.200 3.988 3.203 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
190 1 35 MET QG 1 37 PHE QE 3.000 . 4.100 3.396 2.508 4.117 0.017 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
191 1 62 ILE MD 1 79 ARG QD 2.800 . 3.800 2.849 2.022 3.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
192 1 79 ARG QG 1 80 LEU H 3.000 . 4.100 3.225 2.546 4.222 0.122 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
193 1 5 LEU HB2 1 99 TRP HH2 3.200 . 4.500 4.247 3.651 4.618 0.118 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
194 1 28 CYS H 1 38 TYR QD 3.300 . 4.700 3.495 3.286 3.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
195 1 23 TRP HZ2 1 87 LEU HB3 2.900 . 4.000 3.093 2.761 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
196 1 8 LYS HA 1 23 TRP H 3.100 . 4.300 3.080 1.889 4.226 0.011 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
197 1 23 TRP HA 1 24 HIS HD1 3.300 . 4.700 4.467 3.538 4.893 0.193 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
198 1 12 GLU HA 1 85 GLU H 3.100 . 4.300 3.237 2.880 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
199 1 5 LEU MD1 1 28 CYS HG 3.100 . 4.300 3.448 3.245 3.957 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
200 1 5 LEU HB3 1 6 ASN HA 2.900 . 4.000 3.154 2.267 3.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
201 1 29 VAL H 1 38 TYR QE 3.400 . 4.500 4.082 3.608 4.516 0.016 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
202 1 37 PHE QD 1 53 GLU HA 3.300 . 4.700 4.336 3.842 4.639 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
203 1 12 GLU H 1 18 ALA H 3.400 . 4.800 3.783 2.889 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
204 1 75 VAL MG1 1 76 PHE HA 3.000 . 4.100 3.291 3.095 3.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
205 1 80 LEU QD 1 84 ASN H 3.100 . 4.300 3.124 1.853 3.822 0.047 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
206 1 11 TRP HZ3 1 84 ASN HA 3.600 . 5.200 3.031 2.343 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
207 1 26 VAL HB 1 37 PHE QD 3.300 . 4.700 3.934 2.542 4.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
208 1 28 CYS HA 1 29 VAL MG2 3.000 . 4.100 3.481 3.157 3.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
209 1 62 ILE MG 1 63 CYS HA 2.900 . 4.000 3.639 3.422 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
210 1 5 LEU MD2 1 88 PHE HA 3.100 . 4.300 3.521 3.239 3.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
211 1 2 GLU H 1 30 ILE H 3.500 . 5.000 4.679 3.669 4.965 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
212 1 80 LEU QD 1 83 GLY H 3.300 . 4.700 3.952 2.905 4.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
213 1 96 MET HA 1 97 ASN H 3.500 . 5.000 3.339 3.288 3.398 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
214 1 9 HIS HD1 1 18 ALA MB 3.500 . 5.000 3.257 2.318 5.013 0.013 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
215 1 10 GLU QG 1 11 TRP H 3.300 . 4.700 3.627 1.928 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
216 1 39 LYS H 1 43 SER QB 3.400 . 4.800 2.287 2.158 2.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
217 1 5 LEU H 1 5 LEU HB3 3.200 . 4.500 3.141 2.747 3.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
218 1 76 PHE QE 1 78 LEU QD 3.500 . 5.000 2.715 2.163 4.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
219 1 4 PHE QD 1 27 TYR HB2 3.500 . 5.000 3.572 3.306 3.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
220 1 7 ARG HA 1 89 GLN H 3.300 . 4.700 3.769 3.549 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
221 1 5 LEU HB3 1 76 PHE QE 3.600 . 5.200 4.417 4.229 4.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
222 1 4 PHE HB2 1 5 LEU HG 3.200 . 4.500 4.156 3.680 4.501 0.001 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
223 1 5 LEU HB2 1 37 PHE QD 3.300 . 4.700 4.309 3.960 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
224 1 74 HIS QB 1 74 HIS HD1 3.500 . 5.000 2.306 2.057 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
225 1 78 LEU H 1 88 PHE H 3.300 . 4.700 3.679 3.299 3.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
226 1 38 TYR QE 1 43 SER HA 3.500 . 5.000 4.847 4.214 5.077 0.077 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
227 1 79 ARG HB2 1 85 GLU HA 3.200 . 4.500 3.721 3.131 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
228 1 44 ALA MB 1 45 ALA HA 3.100 . 4.300 3.579 3.328 3.819 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
229 1 94 GLU H 1 95 GLU QG 3.400 . 4.800 4.728 4.543 4.889 0.089 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
230 1 13 ALA H 1 16 LYS H 3.700 . 5.400 4.341 3.302 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
231 1 5 LEU HG 1 6 ASN H 3.300 . 4.700 4.252 4.075 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
232 1 42 LYS H 1 44 ALA H 3.600 . 5.200 3.765 3.624 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
233 1 28 CYS HA 1 99 TRP HH2 3.700 . 5.400 4.274 4.028 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
234 1 30 ILE MD 1 104 SER H 3.500 . 5.000 3.848 3.544 4.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
235 1 2 GLU HB3 1 30 ILE H 3.500 . 5.000 3.974 3.075 4.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
236 1 11 TRP HE1 1 12 GLU H 3.800 . 5.600 4.079 3.792 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
237 1 19 SER H 1 20 SER H 3.400 . 4.800 2.701 1.808 3.772 0.192 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
238 1 74 HIS H 1 74 HIS HD2 3.900 . 5.800 4.422 2.344 5.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
239 1 8 LYS HB3 1 23 TRP HE3 3.600 . 5.200 4.172 3.741 4.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
240 1 76 PHE QE 1 78 LEU HB2 3.400 . 4.800 2.858 2.311 3.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
241 1 61 ALA H 1 78 LEU QD 3.400 . 4.800 4.293 3.801 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
242 1 78 LEU H 1 79 ARG H 3.600 . 5.200 3.966 3.653 4.139 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
243 1 11 TRP HE3 1 84 ASN H 3.800 . 5.600 3.599 3.266 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
244 1 69 TYR HB2 1 75 VAL MG1 3.300 . 4.700 3.581 2.706 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
245 1 11 TRP HH2 1 12 GLU HA 3.500 . 5.000 4.665 4.267 4.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
246 1 63 CYS HG 1 76 PHE HA 3.400 . 4.800 3.472 2.719 4.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
247 1 27 TYR QD 1 40 ASP QB 3.500 . 5.000 3.777 3.550 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
248 1 37 PHE QB 1 54 VAL H 3.300 . 4.700 4.201 3.412 4.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
249 1 37 PHE QD 1 53 GLU H 3.900 . 5.800 4.952 4.586 5.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
250 1 4 PHE H 1 5 LEU HG 3.600 . 5.200 4.902 4.553 5.204 0.004 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
251 1 23 TRP HH2 1 76 PHE H 3.700 . 5.400 3.538 3.272 3.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
252 1 17 LYS HG3 1 18 ALA H 3.600 . 5.200 4.144 2.690 4.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
253 1 37 PHE H 1 56 VAL H 3.600 . 5.200 3.824 3.594 4.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
254 1 13 ALA H 1 14 HIS HD2 3.800 . 5.600 4.711 3.363 5.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
255 1 8 LYS H 1 8 LYS HG2 3.400 . 4.800 4.164 3.896 4.312 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
256 1 76 PHE QD 1 77 LYS QG 3.700 . 5.400 4.546 3.947 4.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
257 1 28 CYS HA 1 38 TYR QE 3.600 . 5.200 4.995 4.673 5.278 0.078 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
258 1 83 GLY H 1 84 ASN H 2.500 . 3.300 2.358 1.859 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
259 1 51 HIS QB 1 52 SER H 2.500 . 3.300 2.038 1.575 2.477 0.125 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
260 1 28 CYS HB3 1 29 VAL H 2.500 . 3.300 2.363 2.285 2.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
261 1 8 LYS H 1 86 TYR QB 2.500 . 3.300 2.571 2.159 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
262 1 8 LYS HD2 1 69 TYR QE 2.800 . 3.800 3.334 2.690 3.938 0.138 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
263 1 56 VAL MG1 1 86 TYR QE 3.000 . 4.100 3.302 2.639 4.186 0.086 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
264 1 2 GLU H 1 29 VAL MG2 2.800 . 3.800 3.223 2.916 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
265 1 28 CYS HB3 1 99 TRP HH2 2.800 . 3.800 3.636 2.815 3.859 0.059 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
266 1 93 ASP HA 1 96 MET H 2.900 . 4.000 3.079 2.904 3.270 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
267 1 58 LEU H 1 58 LEU QD 2.800 . 3.800 3.632 3.229 3.913 0.113 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
268 1 66 ALA MB 1 69 TYR H 2.900 . 4.000 3.481 2.398 4.072 0.072 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
269 1 8 LYS HE3 1 10 GLU H 2.800 . 3.800 3.901 3.332 4.604 0.804 12 7 "[ . 1 + *. 2 *. * 3 - . *4 . *5]" 2
270 1 73 LYS QG 1 74 HIS H 2.700 . 3.600 2.730 1.862 3.613 0.013 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
271 1 67 LEU H 1 67 LEU QD 3.000 . 4.100 3.381 2.769 3.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
272 1 77 LYS QB 1 78 LEU H 2.800 . 3.800 3.140 2.393 3.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
273 1 23 TRP H 1 23 TRP HB3 2.900 . 4.000 3.600 3.186 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
274 1 6 ASN HB3 1 7 ARG H 2.900 . 4.000 3.419 3.032 3.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
275 1 8 LYS HE2 1 23 TRP HZ2 2.900 . 4.000 3.593 3.425 3.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
276 1 67 LEU QD 1 74 HIS HD1 3.300 . 4.700 3.463 1.919 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
277 1 30 ILE MG 1 31 ASN HB3 2.800 . 3.800 3.451 2.821 4.168 0.368 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
278 1 10 GLU HB2 1 86 TYR H 3.100 . 4.300 3.769 3.307 4.592 0.292 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
279 1 3 GLY H 1 4 PHE H 3.500 . 5.000 3.535 3.221 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
280 1 39 LYS HD3 1 50 TYR QD 3.200 . 4.500 3.541 2.260 4.776 0.276 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
281 1 19 SER QB 1 20 SER H 3.200 . 4.500 2.896 1.862 3.245 0.038 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
282 1 11 TRP HZ3 1 84 ASN H 3.600 . 5.200 3.494 2.477 4.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
283 1 29 VAL H 1 38 TYR QD 3.500 . 5.000 3.704 3.345 4.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
284 1 7 ARG HA 1 88 PHE QD 3.500 . 5.000 3.226 3.067 3.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
285 1 80 LEU QD 1 85 GLU H 3.200 . 4.500 3.561 3.225 3.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
286 1 35 MET QG 1 57 SER H 3.300 . 4.700 4.260 3.496 4.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
287 1 76 PHE HZ 1 88 PHE QE 4.000 . 6.000 5.062 4.742 5.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
288 1 70 LYS H 1 70 LYS QD 3.600 . 5.200 4.211 1.996 4.912 0.004 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
289 1 52 SER H 1 54 VAL H 3.800 . 5.600 5.128 4.290 5.655 0.055 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
290 1 95 GLU HB3 1 96 MET H 2.500 . 3.300 2.075 1.999 2.170 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
291 1 77 LYS QG 1 78 LEU H 2.400 . 3.100 2.665 1.993 3.205 0.105 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
292 1 71 LYS QD 1 72 LYS H 2.700 . 3.600 3.274 2.808 3.607 0.007 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
293 1 78 LEU H 1 86 TYR QB 2.700 . 3.600 2.574 2.396 2.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
294 1 7 ARG QB 1 24 HIS QB 3.100 . 4.300 2.965 1.993 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
295 1 38 TYR QD 1 48 ILE H 3.400 . 4.800 3.052 2.659 3.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
296 1 48 ILE H 1 48 ILE MG 3.100 . 4.300 3.510 3.416 3.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
297 1 4 PHE QE 1 26 VAL HA 3.100 . 4.300 3.440 3.007 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
298 1 11 TRP HE3 1 85 GLU QG 3.200 . 4.500 2.266 1.910 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
299 1 29 VAL H 1 35 MET HA 3.100 . 4.300 3.672 3.472 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
300 1 5 LEU H 1 5 LEU MD2 3.300 . 4.700 3.352 3.163 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
301 1 30 ILE QG 1 31 ASN H 3.100 . 4.300 3.745 3.213 4.048 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
302 1 28 CYS HG 1 37 PHE QE 3.300 . 4.700 2.501 2.161 2.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
303 1 4 PHE HB2 1 4 PHE QE 3.500 . 5.000 4.266 4.184 4.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
304 1 62 ILE MG 1 79 ARG H 3.200 . 4.500 4.037 3.617 4.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
305 1 24 HIS QB 1 25 ASN H 3.300 . 4.700 3.362 2.705 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
306 1 3 GLY H 1 99 TRP HZ3 3.700 . 5.400 3.766 2.999 4.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
307 1 10 GLU HB3 1 11 TRP HE3 3.400 . 4.800 4.250 3.484 4.719 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
308 1 92 ASP H 1 94 GLU HB2 3.500 . 5.000 4.767 4.431 5.584 0.584 38 1 "[ . 1 . 2 . 3 . + 4 . 5]" 2
309 1 59 LYS HB3 1 60 GLU H 3.600 . 5.200 3.863 2.874 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
310 1 6 ASN HA 1 37 PHE QD 3.800 . 5.600 5.365 5.083 5.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
311 1 51 HIS HD1 1 52 SER H 2.600 . 3.400 3.068 2.336 3.571 0.171 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
312 1 23 TRP HH2 1 87 LEU HB3 2.400 . 3.100 2.739 2.093 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
313 1 4 PHE QE 1 27 TYR HB2 2.700 . 3.600 2.896 2.781 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
314 1 28 CYS HG 1 37 PHE QD 3.200 . 4.500 2.708 2.398 2.960 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
315 1 4 PHE H 1 27 TYR QE 3.200 . 4.500 3.251 2.907 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
316 1 27 TYR HB2 1 38 TYR QD 3.100 . 4.300 3.800 3.423 4.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
317 1 39 LYS HG2 1 50 TYR QE 3.100 . 4.300 3.443 2.008 4.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
318 1 78 LEU H 1 78 LEU QD 3.200 . 4.500 3.550 3.047 3.721 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
319 1 91 LYS HB2 1 92 ASP H 3.000 . 4.100 3.330 2.380 4.121 0.021 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
320 1 26 VAL HB 1 50 TYR QE 3.200 . 4.500 3.345 2.011 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
321 1 4 PHE H 1 5 LEU H 3.400 . 4.800 3.565 3.488 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
322 1 14 HIS H 1 14 HIS HD2 3.700 . 5.400 3.514 2.088 4.451 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
323 1 78 LEU H 1 78 LEU QD 3.300 . 4.700 3.427 2.965 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
324 1 85 GLU H 1 86 TYR H 3.500 . 5.000 3.890 3.739 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
325 1 11 TRP HE3 1 13 ALA H 3.700 . 5.400 4.304 3.690 4.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
326 1 34 GLU QG 1 35 MET H 3.300 . 4.700 2.427 1.973 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
327 1 31 ASN HB3 1 32 ASN H 3.500 . 5.000 3.806 2.451 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
328 1 4 PHE HA 1 27 TYR H 3.600 . 5.200 4.181 4.025 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
329 1 23 TRP HZ2 1 66 ALA MB 3.300 . 4.700 4.806 4.709 4.896 0.196 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
330 1 28 CYS H 1 37 PHE QE 3.900 . 5.800 4.477 4.067 4.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
331 1 56 VAL MG1 1 57 SER H 2.500 . 3.300 2.227 1.932 2.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
332 1 12 GLU H 1 12 GLU HG3 2.700 . 3.600 2.808 2.062 3.565 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
333 1 51 HIS HD1 1 53 GLU H 3.100 . 4.300 3.292 2.258 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
334 1 12 GLU H 1 12 GLU HG2 2.800 . 3.800 3.212 1.723 3.893 0.093 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
335 1 9 HIS HD1 1 51 HIS HE1 3.400 . 4.800 4.046 2.961 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
336 1 4 PHE QD 1 26 VAL HA 3.000 . 4.100 3.636 3.415 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
337 1 79 ARG HA 1 79 ARG QG 2.700 . 3.600 2.352 2.136 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
338 1 39 LYS HA 1 40 ASP H 3.100 . 4.300 3.431 3.315 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
339 1 11 TRP HZ3 1 13 ALA H 3.500 . 5.000 4.145 2.388 5.045 0.045 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
340 1 63 CYS H 1 78 LEU HA 3.400 . 4.800 4.460 4.303 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
341 1 75 VAL H 1 75 VAL HB 2.200 . 2.800 2.306 2.190 2.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
342 1 10 GLU H 1 11 TRP H 2.600 . 3.400 2.107 1.859 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
343 1 10 GLU HB3 1 10 GLU QG 1.500 . 1.800 1.700 1.679 1.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
344 1 77 LYS HB2 1 77 LYS HB3 1.600 . 1.900 1.726 1.651 1.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
345 1 39 LYS HD3 1 39 LYS HG3 1.700 . 2.100 2.094 1.949 2.451 0.351 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
346 1 91 LYS QB 1 91 LYS QG 1.700 . 2.100 2.055 2.030 2.104 0.004 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
347 1 34 GLU HB2 1 34 GLU QG 1.700 . 2.100 1.853 1.776 1.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
348 1 29 VAL HB 1 29 VAL MG2 1.800 . 2.200 1.881 1.863 1.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
349 1 16 LYS HB3 1 16 LYS QG 1.700 . 2.100 1.851 1.799 1.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
350 1 43 SER HA 1 43 SER QB 2.000 . 2.500 2.268 2.119 2.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
351 1 35 MET QB 1 35 MET HG2 1.800 . 2.200 2.189 2.043 2.299 0.099 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
352 1 5 LEU HB2 1 5 LEU HG 2.000 . 2.500 1.832 1.812 1.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
353 1 75 VAL HA 1 76 PHE H 2.100 . 2.700 1.988 1.932 2.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
354 1 90 ALA MB 1 95 GLU HB3 2.200 . 2.800 1.826 1.744 1.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
355 1 5 LEU HA 1 5 LEU HG 2.300 . 3.000 2.212 2.131 2.319 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
356 1 75 VAL HB 1 75 VAL QG 2.100 . 2.700 1.886 1.869 1.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
357 1 53 GLU HA 1 55 PRO HD2 2.500 . 3.300 2.319 2.131 2.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
358 1 30 ILE MG 1 35 MET QB 2.300 . 3.000 2.365 1.986 2.866 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
359 1 39 LYS QB 1 39 LYS HD3 2.400 . 3.100 2.097 1.933 2.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
360 1 39 LYS QB 1 39 LYS HG2 2.200 . 2.800 2.170 1.922 2.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
361 1 30 ILE HA 1 30 ILE MD 2.500 . 3.300 3.125 2.946 3.311 0.011 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
362 1 78 LEU HB2 1 78 LEU QD 2.500 . 3.300 1.834 1.725 1.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
363 1 31 ASN HA 1 31 ASN HB3 2.400 . 3.100 2.338 2.128 2.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
364 1 8 LYS H 1 88 PHE HA 2.600 . 3.400 2.692 2.568 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
365 1 29 VAL MG2 1 36 GLY HA3 2.600 . 3.400 2.490 2.161 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
366 1 87 LEU QB 1 87 LEU HG 2.500 . 3.300 2.283 2.233 2.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
367 1 30 ILE QG 1 102 ALA MB 3.200 . 4.500 3.722 2.491 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
368 1 61 ALA MB 1 63 CYS HB2 2.900 . 4.000 3.800 2.050 4.123 0.123 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
369 1 78 LEU H 1 88 PHE QD 3.300 . 4.700 3.553 3.112 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
370 1 10 GLU HA 1 17 LYS HA 3.500 . 5.000 4.860 4.117 5.279 0.279 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
371 1 93 ASP HB2 1 96 MET ME 3.000 . 4.100 3.377 2.815 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
372 1 64 GLU H 1 76 PHE QD 3.600 . 5.200 4.080 3.726 4.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
373 1 76 PHE QD 1 88 PHE H 3.600 . 5.200 3.622 3.385 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
374 1 69 TYR HB2 1 70 LYS QB 2.900 . 4.000 3.349 2.809 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
375 1 29 VAL MG1 1 30 ILE QG 3.000 . 4.100 3.426 3.312 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
376 1 78 LEU H 1 88 PHE QE 3.500 . 5.000 4.143 3.875 4.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
377 1 27 TYR HB2 1 38 TYR HB3 3.000 . 4.100 3.714 3.608 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
378 1 8 LYS HA 1 8 LYS HB3 3.000 . 4.100 2.707 2.497 2.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
379 1 93 ASP HB2 1 94 GLU QG 3.000 . 4.100 3.616 2.918 3.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
380 1 5 LEU HB2 1 28 CYS HB3 3.000 . 4.100 3.438 2.930 3.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
381 1 59 LYS HB2 1 59 LYS QE 3.100 . 4.300 2.906 1.949 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
382 1 10 GLU HB3 1 85 GLU QB 3.000 . 4.100 2.683 2.023 3.269 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
383 1 8 LYS HA 1 9 HIS HA 3.200 . 4.500 3.980 3.903 4.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
384 1 35 MET ME 1 61 ALA MB 3.200 . 4.500 4.137 3.681 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
385 1 5 LEU MD1 1 30 ILE MD 3.300 . 4.700 4.434 4.040 4.737 0.037 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
386 1 95 GLU QG 1 98 THR HG1 3.400 . 4.800 4.041 3.483 4.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
387 1 11 TRP QB 1 85 GLU QB 3.100 . 4.300 2.240 1.929 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
388 1 4 PHE HA 1 28 CYS H 3.300 . 4.700 3.072 2.956 3.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
389 1 27 TYR HB2 1 38 TYR HA 3.400 . 4.800 4.024 3.900 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
390 1 76 PHE H 1 76 PHE QE 3.800 . 5.600 4.109 3.777 4.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
391 1 16 LYS HA 1 17 LYS HG3 3.400 . 4.800 4.138 3.243 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
392 1 35 MET QB 1 35 MET HG3 1.700 . 2.100 2.095 1.924 2.240 0.140 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
393 1 17 LYS QD 1 17 LYS HG3 2.000 . 2.500 2.073 1.796 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
394 1 5 LEU HB3 1 5 LEU HG 2.100 . 2.700 2.349 1.925 2.768 0.068 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
395 1 30 ILE MD 1 102 ALA HA 2.500 . 3.300 2.984 2.175 3.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
396 1 59 LYS HB2 1 60 GLU QG 2.700 . 3.600 3.618 3.220 3.980 0.380 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
397 1 8 LYS H 1 23 TRP HH2 3.200 . 4.500 3.442 3.185 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
398 1 29 VAL MG1 1 36 GLY HA3 2.800 . 3.800 3.495 3.264 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
399 1 8 LYS HD2 1 8 LYS HE3 2.700 . 3.600 2.276 2.018 2.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
400 1 58 LEU QD 1 80 LEU HG 2.900 . 4.000 3.352 2.339 4.016 0.016 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
401 1 64 GLU QB 1 100 ILE MD 2.900 . 4.000 3.905 3.595 4.035 0.035 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
402 1 30 ILE MD 1 99 TRP HB3 2.900 . 4.000 3.663 3.050 4.050 0.050 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
403 1 90 ALA MB 1 96 MET QG 3.000 . 4.100 2.244 2.127 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
404 1 29 VAL MG2 1 38 TYR HB2 3.300 . 4.700 3.157 2.665 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
405 1 5 LEU HG 1 90 ALA HA 3.200 . 4.500 4.065 3.771 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
406 1 7 ARG QG 1 86 TYR QB 3.100 . 4.300 2.413 2.094 2.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
407 1 48 ILE MG 1 49 PRO QG 3.200 . 4.500 3.113 2.786 3.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
408 1 2 GLU HA 1 28 CYS H 3.500 . 5.000 4.462 4.212 4.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
409 1 67 LEU QD 1 67 LEU HG 1.900 . 2.400 1.679 1.669 1.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
410 1 29 VAL HB 1 29 VAL MG1 2.000 . 2.500 1.764 1.742 1.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
411 1 30 ILE MD 1 102 ALA MB 2.100 . 2.700 1.936 1.740 2.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
412 1 59 LYS HB2 1 59 LYS HD3 2.100 . 2.700 2.014 1.885 2.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
413 1 5 LEU HG 1 28 CYS HB2 2.500 . 3.300 3.268 2.945 3.389 0.089 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
414 1 62 ILE HB 1 62 ILE HG12 2.300 . 3.000 2.150 1.900 2.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
415 1 27 TYR HB3 1 44 ALA MB 2.500 . 3.300 3.529 3.020 3.917 0.617 36 5 "[ . 1 *. 2 . 3 - .+ 4 ** 5]" 2
416 1 76 PHE QE 1 88 PHE H 3.900 . 5.800 3.743 3.191 4.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
417 1 65 VAL QG 1 74 HIS QB 3.200 . 4.500 3.670 2.091 4.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
418 1 31 ASN H 1 38 TYR QE 3.900 . 5.800 4.883 4.042 5.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
419 1 58 LEU HB2 1 58 LEU QD 1.700 . 2.100 1.990 1.856 2.136 0.036 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
420 1 58 LEU HB3 1 58 LEU QD 2.000 . 2.500 1.967 1.729 2.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
421 1 74 HIS QB 1 90 ALA MB 2.400 . 3.100 2.324 1.919 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
422 1 39 LYS QB 1 48 ILE MG 3.100 . 4.300 2.997 2.514 3.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
423 1 35 MET ME 1 56 VAL MG1 2.800 . 3.800 2.534 1.848 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
424 1 5 LEU HB2 1 5 LEU MD2 2.700 . 3.600 2.936 2.684 3.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
425 1 53 GLU HB3 1 54 VAL QG 3.200 . 4.500 4.477 4.152 4.853 0.353 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
426 1 6 ASN HB3 1 75 VAL MG2 2.700 . 3.600 3.555 3.163 3.900 0.300 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
427 1 8 LYS HE2 1 10 GLU HB2 3.000 . 4.100 3.219 2.169 4.149 0.049 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
428 1 29 VAL HB 1 29 VAL MG2 1.800 . 2.200 1.885 1.864 1.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
429 1 39 LYS QB 1 39 LYS HG3 1.700 . 2.100 1.863 1.790 1.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
430 1 48 ILE MD 1 48 ILE QG 2.000 . 2.500 1.671 1.598 1.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
431 1 87 LEU QB 1 87 LEU QD 2.600 . 3.000 1.961 1.899 1.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
432 1 30 ILE MD 1 99 TRP HA 3.000 . 4.100 3.794 3.368 4.143 0.043 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
433 1 26 VAL QG 1 28 CYS HG 3.100 . 4.300 2.203 1.933 3.154 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
434 1 26 VAL QG 1 27 TYR HB2 3.100 . 4.300 2.197 1.931 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
435 1 7 ARG QD 1 26 VAL HB 3.000 . 4.100 3.894 3.376 4.154 0.054 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 4099
_Distance_constraint_stats_list.Viol_total 747893.625
_Distance_constraint_stats_list.Viol_max 7.785
_Distance_constraint_stats_list.Viol_rms 1.3242
_Distance_constraint_stats_list.Viol_average_all_restraints 3.6483
_Distance_constraint_stats_list.Viol_average_violations_only 3.6492
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 416.279 4.982 28 50 [****-**********************+**********************]
1 4 PHE 463.063 5.300 17 50 [****************+************-********************]
1 5 LEU 700.134 4.420 41 50 [***************************-************+*********]
1 6 ASN 686.658 4.507 37 50 [*************-**********************+*************]
1 7 ARG 404.703 5.596 26 50 [*************************+***********-************]
1 8 LYS 417.295 4.840 23 50 [**********************+*******************-*******]
1 10 GLU 390.498 4.385 24 50 [****************-******+**************************]
1 22 SER 404.703 5.596 26 50 [*************************+***********-************]
1 24 HIS 700.134 4.420 41 50 [***************************-************+*********]
1 25 ASN 532.082 6.102 2 50 [*+*******************************************-****]
1 26 VAL 416.279 4.982 28 50 [****-**********************+**********************]
1 27 TYR 731.314 4.577 18 50 [-****************+********************************]
1 29 VAL 416.637 4.834 49 50 [***************************************-********+*]
1 31 ASN 695.850 6.337 36 50 [***************************-*******+**************]
1 32 ASN 231.380 3.558 1 50 [+**************************-**********************]
1 33 GLN 457.185 5.488 21 50 [********************+****************************-]
1 34 GLU 416.637 4.834 49 50 [***************************************-********+*]
1 35 MET 346.081 4.501 13 50 [******-*****+*************************************]
1 36 GLY 731.314 4.577 18 50 [-****************+********************************]
1 37 PHE 557.740 7.228 27 50 [*********************-****+***********************]
1 38 TYR 532.082 6.102 2 50 [*+*******************************************-****]
1 52 SER 557.740 7.228 27 50 [*********************-****+***********************]
1 54 VAL 346.081 4.501 13 50 [******-*****+*************************************]
1 56 VAL 457.185 5.488 21 50 [********************+****************************-]
1 58 LEU 464.470 6.337 36 50 [-**********************************+**************]
1 60 GLU 446.135 5.596 2 50 [*+***********************************-************]
1 62 ILE 781.966 4.995 2 50 [*+***************************************-********]
1 64 GLU 916.598 6.060 10 50 [*********+*****************************-**********]
1 72 LYS 564.010 7.763 22 50 [*****************-***+****************************]
1 74 HIS 425.215 5.046 21 50 [********************+*************-***************]
1 75 VAL 916.598 6.060 10 50 [*********+*****************************-**********]
1 76 PHE 780.401 4.867 10 50 [*********+***********************************-****]
1 77 LYS 781.966 4.995 2 50 [*+***************************************-********]
1 78 LEU 428.493 5.317 50 50 [*********************************************-***+]
1 79 ARG 446.135 5.596 2 50 [*+***********************************-************]
1 80 LEU 632.081 5.740 12 50 [***********+-*************************************]
1 82 ASP 459.245 5.740 12 50 [***********+*************************************-]
1 84 ASN 601.329 5.317 50 50 [************-************************************+]
1 85 GLU 807.793 4.840 23 50 [****************-*****+***************************]
1 86 TYR 780.401 4.867 10 50 [*********+***********************************-****]
1 87 LEU 686.658 4.507 37 50 [*************-**********************+*************]
1 88 PHE 425.215 5.046 21 50 [********************+*************-***************]
1 89 GLN 463.063 5.300 17 50 [****************+************-********************]
1 90 ALA 928.969 7.763 22 50 [*****************-***+****************************]
1 91 LYS 672.598 7.785 17 50 [****************+*****-***************************]
1 93 ASP 206.077 3.184 17 50 [-***************+*********************************]
1 94 GLU 199.509 2.341 17 50 [****************+****************************-****]
1 95 GLU 189.754 2.174 7 50 [******+*********************-*********************]
1 96 MET 555.844 4.238 26 50 [****-********************+************************]
1 97 ASN 849.214 7.785 17 50 [****-***********+*********************************]
1 98 THR 388.290 3.184 17 50 [***************-+*********************************]
1 99 TRP 378.905 2.341 17 50 [****************+****************-****************]
1 100 ILE 384.403 2.738 13 50 [************+*****************-*******************]
1 101 GLN 401.715 4.267 38 50 [**************************-**********+************]
1 102 ALA 176.617 2.176 32 50 [****-**************************+******************]
1 103 ILE 182.213 2.174 18 50 [***************-*+********************************]
1 104 SER 179.395 2.336 13 50 [************+********************-****************]
1 105 SER 194.649 2.738 13 49 "[************+*****************-****** ************]"
1 106 ALA 210.830 4.267 38 50 [**************************-**********+************]
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 5 LEU N 1 24 HIS O 3.200 2.200 3.200 6.406 5.866 6.733 3.533 37 50 [***************************-********+*************] 3
2 1 5 LEU H 1 24 HIS O 2.200 . 2.200 5.879 5.376 6.261 4.061 37 50 [***************************-********+*************] 3
3 1 6 ASN N 1 87 LEU O 3.200 2.200 3.200 6.180 5.870 6.462 3.262 17 50 [*************-**+*********************************] 3
4 1 6 ASN H 1 87 LEU O 2.200 . 2.200 6.203 5.905 6.584 4.384 36 50 [***********************************+*-************] 3
5 1 7 ARG N 1 22 SER O 3.200 2.200 3.200 6.859 5.527 8.104 4.904 26 50 [*************************+***********-************] 3
6 1 7 ARG H 1 22 SER O 2.200 . 2.200 6.635 5.211 7.796 5.596 26 50 [*-***********************+************************] 3
7 1 8 LYS N 1 85 GLU O 3.200 2.200 3.200 7.077 6.690 7.532 4.332 23 50 [**********************+*******************-*******] 3
8 1 8 LYS H 1 85 GLU O 2.200 . 2.200 6.669 6.283 7.040 4.840 23 50 [**********************+********-******************] 3
9 1 5 LEU O 1 24 HIS N 3.200 2.200 3.200 6.373 6.023 6.675 3.475 37 50 [**********************************-*+*************] 3
10 1 5 LEU O 1 24 HIS H 2.200 . 2.200 6.145 5.753 6.620 4.420 41 50 [****-***********************************+*********] 3
11 1 3 GLY O 1 26 VAL N 3.200 2.200 3.200 6.947 6.614 7.206 4.006 9 50 [****-***+*****************************************] 3
12 1 3 GLY O 1 26 VAL H 2.200 . 2.200 6.778 6.344 7.182 4.982 28 50 [****-**********************+**********************] 3
13 1 27 TYR N 1 36 GLY O 3.200 2.200 3.200 6.445 6.089 6.793 3.593 18 50 [-****************+********************************] 3
14 1 27 TYR H 1 36 GLY O 2.200 . 2.200 6.395 6.012 6.777 4.577 18 50 [*****************+******************-*************] 3
15 1 29 VAL N 1 34 GLU O 3.200 2.200 3.200 7.032 6.253 7.359 4.159 49 50 [***************************************-********+*] 3
16 1 29 VAL H 1 34 GLU O 2.200 . 2.200 6.701 5.812 7.034 4.834 49 50 [***************************************-********+*] 3
17 1 31 ASN N 1 32 ASN O 3.200 2.200 3.200 5.150 4.405 5.947 2.747 1 50 [+**************************-**********************] 3
18 1 31 ASN H 1 32 ASN O 2.200 . 2.200 4.877 3.868 5.758 3.558 1 50 [+********************-****************************] 3
19 1 35 MET N 1 54 VAL O 3.200 2.200 3.200 6.334 5.549 6.984 3.784 13 50 [******-*****+*************************************] 3
20 1 35 MET H 1 54 VAL O 2.200 . 2.200 5.988 5.292 6.701 4.501 13 50 [************+**********-**************************] 3
21 1 27 TYR O 1 36 GLY N 3.200 2.200 3.200 6.411 6.127 6.707 3.507 18 50 [-****************+********************************] 3
22 1 27 TYR O 1 36 GLY H 2.200 . 2.200 6.175 5.792 6.537 4.337 42 50 [*****************************************+*****-**] 3
23 1 37 PHE N 1 52 SER O 3.200 2.200 3.200 8.689 7.194 10.324 7.124 27 50 [*********************-****+***********************] 3
24 1 37 PHE H 1 52 SER O 2.200 . 2.200 7.866 6.601 9.428 7.228 27 50 [**********-***************+***********************] 3
25 1 25 ASN O 1 38 TYR N 3.200 2.200 3.200 8.145 7.729 8.609 5.409 2 50 [*+*******************************************-****] 3
26 1 25 ASN O 1 38 TYR H 2.200 . 2.200 7.896 7.361 8.302 6.102 2 50 [*+*******-****************************************] 3
27 1 33 GLN O 1 56 VAL N 3.200 2.200 3.200 7.358 6.771 8.108 4.908 21 50 [********************+****************************-] 3
28 1 33 GLN O 1 56 VAL H 2.200 . 2.200 7.186 6.526 7.688 5.488 21 50 [********************+****************************-] 3
29 1 31 ASN O 1 58 LEU N 3.200 2.200 3.200 7.776 6.391 9.441 6.241 36 50 [-**********************************+**************] 3
30 1 31 ASN O 1 58 LEU H 2.200 . 2.200 6.913 5.772 8.537 6.337 36 50 [-**********************************+**************] 3
31 1 62 ILE N 1 77 LYS O 3.200 2.200 3.200 6.524 6.106 6.968 3.768 2 50 [*+***************************************-********] 3
32 1 62 ILE H 1 77 LYS O 2.200 . 2.200 6.678 6.047 7.195 4.995 2 50 [*+********************-***************************] 3
33 1 64 GLU N 1 75 VAL O 3.200 2.200 3.200 7.372 7.047 8.012 4.812 10 50 [*********+*****************************-**********] 3
34 1 64 GLU H 1 75 VAL O 2.200 . 2.200 7.100 6.776 7.724 5.524 10 50 [*********+*****************************-**********] 3
35 1 64 GLU O 1 75 VAL N 3.200 2.200 3.200 7.348 6.946 7.970 4.770 10 50 [*********+*****************************-**********] 3
36 1 64 GLU O 1 75 VAL H 2.200 . 2.200 7.312 6.778 8.260 6.060 10 50 [*********+*****************************-**********] 3
37 1 76 PHE N 1 86 TYR O 3.200 2.200 3.200 6.749 6.257 7.251 4.051 10 50 [*********+***********************************-****] 3
38 1 76 PHE H 1 86 TYR O 2.200 . 2.200 6.288 5.696 6.782 4.582 26 50 [*************************+*******************-****] 3
39 1 62 ILE O 1 77 LYS N 3.200 2.200 3.200 6.575 6.243 7.033 3.833 2 50 [*+*****************-******************************] 3
40 1 62 ILE O 1 77 LYS H 2.200 . 2.200 6.662 6.344 7.063 4.863 2 50 [*+*************************-**********************] 3
41 1 78 LEU N 1 84 ASN O 3.200 2.200 3.200 7.048 6.208 7.670 4.470 33 50 [********************************+************-****] 3
42 1 78 LEU H 1 84 ASN O 2.200 . 2.200 6.922 6.155 7.517 5.317 50 50 [*********************************************-***+] 3
43 1 60 GLU O 1 79 ARG N 3.200 2.200 3.200 7.341 6.074 8.298 5.098 2 50 [*+***********************************-************] 3
44 1 60 GLU O 1 79 ARG H 2.200 . 2.200 6.982 5.784 7.796 5.596 2 50 [*+***********************************-************] 3
45 1 80 LEU N 1 82 ASP O 3.200 2.200 3.200 7.363 5.696 7.998 4.798 12 50 [***********+*************************************-] 3
46 1 80 LEU H 1 82 ASP O 2.200 . 2.200 7.222 5.154 7.940 5.740 12 50 [***********+*************************************-] 3
47 1 80 LEU O 1 84 ASN N 3.200 2.200 3.200 4.676 3.187 6.379 3.179 10 43 "[****** **+* -**** ******** ********* ***** ******]" 3
48 1 80 LEU O 1 84 ASN H 2.200 . 2.200 4.180 2.285 6.663 4.463 10 43 "[****** **+* -**** ******** ********* ***** ******]" 3
49 1 10 GLU O 1 85 GLU N 3.200 2.200 3.200 6.951 6.612 7.258 4.058 24 50 [****************-******+**************************] 3
50 1 10 GLU O 1 85 GLU H 2.200 . 2.200 6.259 5.844 6.585 4.385 24 50 [****************-******+**************************] 3
51 1 76 PHE O 1 86 TYR N 3.200 2.200 3.200 6.839 6.235 7.361 4.161 10 50 [*********+***********************************-****] 3
52 1 76 PHE O 1 86 TYR H 2.200 . 2.200 6.532 5.955 7.067 4.867 10 50 [*********+***********************************-****] 3
53 1 6 ASN O 1 87 LEU N 3.200 2.200 3.200 6.138 5.812 6.472 3.272 37 50 [*************-**********************+*************] 3
54 1 6 ASN O 1 87 LEU H 2.200 . 2.200 6.012 5.622 6.707 4.507 37 50 [*************-**********************+*************] 3
55 1 74 HIS O 1 88 PHE N 3.200 2.200 3.200 7.005 6.594 7.324 4.124 2 50 [*+********************************-***************] 3
56 1 74 HIS O 1 88 PHE H 2.200 . 2.200 6.899 6.378 7.246 5.046 21 50 [********************+***-*************************] 3
57 1 4 PHE O 1 89 GLN N 3.200 2.200 3.200 7.516 7.204 7.935 4.735 17 50 [****************+************-********************] 3
58 1 4 PHE O 1 89 GLN H 2.200 . 2.200 7.145 6.854 7.500 5.300 17 50 [*********-******+*********************************] 3
59 1 72 LYS O 1 90 ALA N 3.200 2.200 3.200 8.644 5.252 10.614 7.414 22 50 [*****************-***+****************************] 3
60 1 72 LYS O 1 90 ALA H 2.200 . 2.200 8.036 4.662 9.963 7.763 22 50 [**-******************+****************************] 3
61 1 90 ALA O 1 96 MET N 3.200 2.200 3.200 6.568 6.035 6.851 3.651 32 50 [********************-**********+******************] 3
62 1 90 ALA O 1 96 MET H 2.200 . 2.200 6.131 5.629 6.438 4.238 26 50 [********************-****+************************] 3
63 1 91 LYS O 1 97 ASN N 3.200 2.200 3.200 9.779 9.315 10.667 7.467 17 50 [****************+*****-***************************] 3
64 1 91 LYS O 1 97 ASN H 2.200 . 2.200 9.073 8.615 9.985 7.785 17 50 [****************+*****-***************************] 3
65 1 93 ASP O 1 98 THR N 3.200 2.200 3.200 5.143 4.720 6.257 3.057 17 50 [-***************+*********************************] 3
66 1 93 ASP O 1 98 THR H 2.200 . 2.200 4.378 3.963 5.384 3.184 17 50 [-***************+*********************************] 3
67 1 94 GLU O 1 99 TRP N 3.200 2.200 3.200 5.060 4.813 5.331 2.131 17 50 [****************+****************************-****] 3
68 1 94 GLU O 1 99 TRP H 2.200 . 2.200 4.330 4.081 4.541 2.341 17 50 [****************+****************************-****] 3
69 1 95 GLU O 1 100 ILE N 3.200 2.200 3.200 4.965 4.801 5.130 1.930 7 50 [******+*********************-*********************] 3
70 1 95 GLU O 1 100 ILE H 2.200 . 2.200 4.230 4.038 4.374 2.174 7 50 [******+*********************-*********************] 3
71 1 96 MET O 1 101 GLN N 3.200 2.200 3.200 4.995 4.777 5.278 2.078 17 50 [****-***********+*********************************] 3
72 1 96 MET O 1 101 GLN H 2.200 . 2.200 4.223 4.011 4.533 2.333 17 50 [****-***********+*********************************] 3
73 1 97 ASN O 1 102 ALA N 3.200 2.200 3.200 4.842 4.502 5.128 1.928 32 50 [****-**************************+******************] 3
74 1 97 ASN O 1 102 ALA H 2.200 . 2.200 4.090 3.721 4.376 2.176 32 50 [****-**************************+******************] 3
75 1 98 THR O 1 103 ILE N 3.200 2.200 3.200 4.881 4.649 5.130 1.930 18 50 [***************-*+********************************] 3
76 1 98 THR O 1 103 ILE H 2.200 . 2.200 4.163 3.941 4.374 2.174 18 50 [**************-**+********************************] 3
77 1 99 TRP O 1 104 SER N 3.200 2.200 3.200 4.868 4.636 5.236 2.036 13 50 [************+********************-****************] 3
78 1 99 TRP O 1 104 SER H 2.200 . 2.200 4.120 3.865 4.536 2.336 13 50 [************+************************-************] 3
79 1 100 ILE O 1 105 SER N 3.200 2.200 3.200 4.990 3.318 5.611 2.411 13 49 "[************+*****************-****** ************]" 3
80 1 100 ILE O 1 105 SER H 2.200 . 2.200 4.303 2.434 4.938 2.738 13 49 "[************+*****************-****** ************]" 3
81 1 101 GLN O 1 106 ALA N 3.200 2.200 3.200 5.077 4.238 7.196 3.996 38 50 [**************************-**********+************] 3
82 1 101 GLN O 1 106 ALA H 2.200 . 2.200 4.540 3.769 6.467 4.267 38 50 [**********************-**************+************] 3
stop_
save_
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