NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615672 |
5lxl   |
34047 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lxl
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 992
_Distance_constraint_stats_list.Viol_count 1814
_Distance_constraint_stats_list.Viol_total 2792.181
_Distance_constraint_stats_list.Viol_max 0.929
_Distance_constraint_stats_list.Viol_rms 0.0344
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0770
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 3.493 0.177 2 0 "[ . 1 . 2]"
1 2 GLY 0.032 0.032 2 0 "[ . 1 . 2]"
1 3 ILE 9.326 0.407 14 0 "[ . 1 . 2]"
1 4 ASP 9.260 0.929 7 3 "[ - . + 1 * 2]"
1 5 TYR 5.471 0.297 14 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.122 0.036 6 0 "[ . 1 . 2]"
1 8 LEU 6.033 0.537 2 1 "[ + . 1 . 2]"
1 9 ARG 2.644 0.157 1 0 "[ . 1 . 2]"
1 10 THR 4.741 0.177 2 0 "[ . 1 . 2]"
1 11 ILE 6.278 0.225 15 0 "[ . 1 . 2]"
1 12 PHE 2.828 0.272 2 0 "[ . 1 . 2]"
1 13 GLY 1.103 0.104 20 0 "[ . 1 . 2]"
1 14 GLU 0.013 0.006 14 0 "[ . 1 . 2]"
1 15 LYS 1.501 0.075 9 0 "[ . 1 . 2]"
1 16 LEU 9.758 0.572 8 2 "[ - + 1 . 2]"
1 17 PRO 5.073 0.272 2 0 "[ . 1 . 2]"
1 18 GLU 1.916 0.123 9 0 "[ . 1 . 2]"
1 19 SER 0.202 0.050 3 0 "[ . 1 . 2]"
1 20 HIS 1.784 0.123 9 0 "[ . 1 . 2]"
1 21 ILE 18.150 0.572 8 2 "[ - + 1 . 2]"
1 22 PHE 12.278 0.248 19 0 "[ . 1 . 2]"
1 23 PHE 13.996 0.417 2 0 "[ . 1 . 2]"
1 24 ALA 0.019 0.006 20 0 "[ . 1 . 2]"
1 25 THR 1.424 0.114 7 0 "[ . 1 . 2]"
1 26 VAL 2.111 0.297 15 0 "[ . 1 . 2]"
1 27 ALA 3.656 0.248 19 0 "[ . 1 . 2]"
1 28 ALA 4.297 0.250 13 0 "[ . 1 . 2]"
1 29 HIS 14.238 0.572 8 3 "[ * + 1 . -]"
1 30 LYS 4.676 0.297 15 0 "[ . 1 . 2]"
1 31 TYR 8.824 0.416 11 0 "[ . 1 . 2]"
1 32 VAL 15.268 0.572 8 3 "[ * + 1 . -]"
1 33 PRO 10.997 0.929 7 3 "[ . + 1 * -]"
1 34 SER 3.260 0.248 19 0 "[ . 1 . 2]"
1 35 TYR 3.345 0.690 11 1 "[ . 1+ . 2]"
1 36 ALA 3.894 0.169 11 0 "[ . 1 . 2]"
1 37 PHE 11.302 0.417 2 0 "[ . 1 . 2]"
1 38 LEU 14.416 0.862 18 2 "[ . 1- . + 2]"
1 39 ARG 2.482 0.212 16 0 "[ . 1 . 2]"
1 40 ARG 5.405 0.572 8 2 "[ - + 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 3.338 0.212 16 0 "[ . 1 . 2]"
1 43 GLY 0.120 0.070 16 0 "[ . 1 . 2]"
1 44 LEU 2.994 0.212 16 0 "[ . 1 . 2]"
1 46 SER 5.055 0.865 19 2 "[ . 1 - +2]"
1 47 ALA 0.184 0.051 16 0 "[ . 1 . 2]"
1 48 HIS 3.125 0.865 19 2 "[ . 1 - +2]"
1 49 THR 0.133 0.037 11 0 "[ . 1 . 2]"
1 50 ASN 4.016 0.225 11 0 "[ . 1 . 2]"
1 51 ARG 4.565 0.572 8 2 "[ - + 1 . 2]"
1 52 LYS 0.466 0.123 8 0 "[ . 1 . 2]"
1 53 VAL 7.274 0.572 8 2 "[ - + 1 . 2]"
1 54 TRP 2.086 0.100 20 0 "[ . 1 . 2]"
1 55 LYS 8.762 0.290 17 0 "[ . 1 . 2]"
1 56 LYS 1.359 0.161 4 0 "[ . 1 . 2]"
1 57 PHE 10.398 0.862 18 1 "[ . 1 . + 2]"
1 58 VAL 8.410 0.290 17 0 "[ . 1 . 2]"
1 59 GLU 0.374 0.043 4 0 "[ . 1 . 2]"
1 60 ALA 6.302 0.578 20 2 "[ -. 1 . +]"
1 61 TYR 1.075 0.111 8 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 8.550 0.578 20 2 "[ -. 1 . +]"
1 64 ALA 1.610 0.250 7 0 "[ . 1 . 2]"
1 65 ILE 4.118 0.288 3 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 2.161 0.134 19 0 "[ . 1 . 2]"
1 74 LEU 3.510 0.213 12 0 "[ . 1 . 2]"
1 75 THR 0.184 0.051 16 0 "[ . 1 . 2]"
1 76 LEU 3.531 0.213 12 0 "[ . 1 . 2]"
1 77 SER 1.434 0.202 19 0 "[ . 1 . 2]"
1 78 LYS 0.184 0.051 16 0 "[ . 1 . 2]"
1 79 LEU 0.619 0.112 15 0 "[ . 1 . 2]"
1 80 GLU 0.021 0.021 7 0 "[ . 1 . 2]"
1 81 HIS 1.434 0.202 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ILE MD 1 11 ILE MG 2.520 . 3.310 2.894 2.191 3.182 . 0 0 "[ . 1 . 2]" 1
2 1 11 ILE H 1 11 ILE MG 3.010 . 4.150 2.413 1.997 2.700 . 0 0 "[ . 1 . 2]" 1
3 1 11 ILE H 1 11 ILE MD 2.890 . 3.930 2.906 2.471 3.917 . 0 0 "[ . 1 . 2]" 1
4 1 12 PHE HZ 1 25 THR MG 3.140 . 4.370 3.523 2.205 4.229 . 0 0 "[ . 1 . 2]" 1
5 1 25 THR MG 1 28 ALA H 2.830 . 3.830 3.447 1.919 3.834 0.004 7 0 "[ . 1 . 2]" 1
6 1 25 THR MG 1 27 ALA H 3.380 . 4.810 1.968 1.902 2.547 0.048 18 0 "[ . 1 . 2]" 1
7 1 5 TYR QB 1 63 LYS QE 2.830 . 3.830 3.704 3.516 3.779 . 0 0 "[ . 1 . 2]" 1
8 1 5 TYR QB 1 5 TYR QE 3.380 . 4.810 2.141 1.965 2.489 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE HA 1 37 PHE HZ 3.440 . 4.920 4.947 4.594 5.024 0.104 13 0 "[ . 1 . 2]" 1
10 1 5 TYR HA 1 5 TYR QB 3.480 . 4.990 2.184 2.087 2.328 . 0 0 "[ . 1 . 2]" 1
11 1 5 TYR HA 1 8 LEU HB3 3.750 . 5.300 4.990 4.555 5.347 0.047 1 0 "[ . 1 . 2]" 1
12 1 3 ILE MG 1 5 TYR HA 4.060 . 5.300 4.902 4.495 5.313 0.013 15 0 "[ . 1 . 2]" 1
13 1 4 ASP HB3 1 31 TYR H 3.750 . 5.300 4.174 3.068 4.719 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLY HA2 1 8 LEU H 3.690 . 5.300 3.163 3.039 3.283 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLY HA3 1 10 THR H 3.940 . 5.300 4.762 4.614 4.867 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLY HA3 1 31 TYR QE 4.060 . 5.300 3.221 2.246 3.841 . 0 0 "[ . 1 . 2]" 1
17 1 8 LEU HA 1 11 ILE H 3.750 . 5.300 3.602 3.388 3.732 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU HA 1 8 LEU MD1 2.830 . 3.830 2.708 2.161 3.101 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU HA 1 21 ILE MD 3.440 . 4.920 4.935 4.557 5.062 0.142 19 0 "[ . 1 . 2]" 1
20 1 8 LEU HB2 1 8 LEU MD2 3.750 . 5.300 2.289 1.982 2.846 0.008 3 0 "[ . 1 . 2]" 1
21 1 8 LEU HB2 1 8 LEU MD1 3.690 . 5.300 2.571 1.974 3.358 0.016 14 0 "[ . 1 . 2]" 1
22 1 9 ARG HA 1 12 PHE H 3.750 . 5.300 3.565 3.532 3.621 . 0 0 "[ . 1 . 2]" 1
23 1 9 ARG HA 1 9 ARG HE 3.940 . 5.300 4.979 4.755 5.361 0.061 1 0 "[ . 1 . 2]" 1
24 1 9 ARG HA 1 13 GLY HA3 4.060 . 5.300 4.560 4.137 4.907 . 0 0 "[ . 1 . 2]" 1
25 1 9 ARG H 1 9 ARG HB3 3.870 . 5.300 3.462 3.326 3.649 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLY HA2 1 10 THR HA 4.120 . 5.300 4.339 4.200 4.437 . 0 0 "[ . 1 . 2]" 1
27 1 9 ARG HA 1 10 THR HB 3.570 . 5.160 5.268 5.240 5.317 0.157 1 0 "[ . 1 . 2]" 1
28 1 10 THR HB 1 65 ILE MD 4.000 . 5.300 4.990 3.927 5.356 0.056 14 0 "[ . 1 . 2]" 1
29 1 10 THR MG 1 11 ILE H 3.690 . 5.300 2.919 2.366 3.312 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLY HA2 1 10 THR MG 3.480 . 4.990 2.024 1.934 2.279 0.036 6 0 "[ . 1 . 2]" 1
31 1 7 GLY HA3 1 10 THR MG 3.570 . 5.160 3.660 3.473 3.935 . 0 0 "[ . 1 . 2]" 1
32 1 1 MET QG 1 10 THR MG 3.690 . 5.300 5.401 5.326 5.477 0.177 2 0 "[ . 1 . 2]" 1
33 1 11 ILE MD 1 30 LYS HG3 4.120 . 5.300 5.373 5.185 5.449 0.149 14 0 "[ . 1 . 2]" 1
34 1 11 ILE MG 1 12 PHE HA 3.510 . 5.050 3.691 3.461 4.015 . 0 0 "[ . 1 . 2]" 1
35 1 11 ILE MG 1 12 PHE HZ 3.750 . 5.300 3.076 2.731 3.563 . 0 0 "[ . 1 . 2]" 1
36 1 12 PHE HA 1 12 PHE QD 3.260 . 4.590 2.517 2.301 2.889 . 0 0 "[ . 1 . 2]" 1
37 1 12 PHE HB2 1 13 GLY H 3.940 . 5.300 3.241 2.981 3.528 . 0 0 "[ . 1 . 2]" 1
38 1 11 ILE H 1 12 PHE HB3 3.870 . 5.300 4.412 4.359 4.451 . 0 0 "[ . 1 . 2]" 1
39 1 29 HIS HA 1 33 PRO HD3 3.510 . 5.050 4.724 4.137 5.054 0.004 7 0 "[ . 1 . 2]" 1
40 1 14 GLU HB3 1 15 LYS H 3.810 . 5.300 3.307 2.579 4.422 . 0 0 "[ . 1 . 2]" 1
41 1 15 LYS HA 1 58 VAL QG 3.810 . 5.300 2.704 2.206 3.051 . 0 0 "[ . 1 . 2]" 1
42 1 15 LYS HB3 1 15 LYS QG 3.140 . 4.370 2.503 2.332 2.605 . 0 0 "[ . 1 . 2]" 1
43 1 15 LYS HB2 1 16 LEU H 3.940 . 5.300 3.804 3.358 4.105 . 0 0 "[ . 1 . 2]" 1
44 1 15 LYS HA 1 15 LYS QG 3.750 . 5.300 2.430 2.228 2.587 . 0 0 "[ . 1 . 2]" 1
45 1 15 LYS QG 1 16 LEU HA 3.940 . 5.300 4.380 4.133 4.730 . 0 0 "[ . 1 . 2]" 1
46 1 15 LYS HE3 1 15 LYS QG 3.410 . 4.870 2.963 2.393 3.608 . 0 0 "[ . 1 . 2]" 1
47 1 4 ASP HB2 1 31 TYR H 3.380 . 4.810 3.310 2.265 3.883 . 0 0 "[ . 1 . 2]" 1
48 1 4 ASP H 1 4 ASP HB2 3.870 . 5.300 2.683 2.296 3.511 . 0 0 "[ . 1 . 2]" 1
49 1 16 LEU H 1 16 LEU QD 3.690 . 5.080 2.782 1.920 3.447 0.070 17 0 "[ . 1 . 2]" 1
50 1 76 LEU HA 1 80 GLU QB 3.260 . 4.590 3.159 2.458 4.532 . 0 0 "[ . 1 . 2]" 1
51 1 76 LEU H 1 80 GLU QB 3.750 . 5.300 4.465 3.006 5.267 . 0 0 "[ . 1 . 2]" 1
52 1 18 GLU HB2 1 21 ILE MD 3.570 . 5.160 4.999 4.154 5.251 0.091 19 0 "[ . 1 . 2]" 1
53 1 3 ILE HA 1 3 ILE MD 3.570 . 5.160 3.748 3.426 3.893 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE HB 1 3 ILE MG 3.200 . 4.480 2.202 2.171 2.234 . 0 0 "[ . 1 . 2]" 1
55 1 3 ILE MG 1 60 ALA MB 3.630 . 5.280 4.001 3.769 4.314 . 0 0 "[ . 1 . 2]" 1
56 1 3 ILE HA 1 3 ILE MG 3.750 . 5.300 2.170 2.052 2.378 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE QG 1 3 ILE MG 3.080 . 4.260 2.575 2.001 2.799 . 0 0 "[ . 1 . 2]" 1
58 1 3 ILE QG 1 31 TYR QB 3.320 . 4.700 3.979 3.031 4.461 . 0 0 "[ . 1 . 2]" 1
59 1 5 TYR HA 1 8 LEU MD2 3.410 . 4.870 3.129 2.380 4.333 . 0 0 "[ . 1 . 2]" 1
60 1 3 ILE MG 1 8 LEU MD2 3.380 . 4.810 4.626 4.215 5.217 0.407 14 0 "[ . 1 . 2]" 1
61 1 8 LEU H 1 8 LEU MD2 4.000 . 5.300 3.270 1.919 4.039 0.081 8 0 "[ . 1 . 2]" 1
62 1 8 LEU HA 1 8 LEU MD1 2.890 . 3.930 2.834 2.177 3.432 . 0 0 "[ . 1 . 2]" 1
63 1 4 ASP HB2 1 8 LEU MD1 3.510 . 5.050 3.830 1.967 5.587 0.537 2 1 "[ + . 1 . 2]" 1
64 1 8 LEU MD1 1 12 PHE QE 2.830 . 3.830 2.734 2.162 3.267 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU MD1 1 8 LEU MD2 2.830 . 3.830 1.858 1.728 2.130 0.102 12 0 "[ . 1 . 2]" 1
66 1 11 ILE QG 1 12 PHE QE 3.200 . 4.480 4.353 4.321 4.392 . 0 0 "[ . 1 . 2]" 1
67 1 15 LYS QD 1 15 LYS HE3 4.060 . 5.300 2.371 2.214 2.453 . 0 0 "[ . 1 . 2]" 1
68 1 18 GLU QG 1 21 ILE MD 4.000 . 5.300 4.850 4.670 5.056 . 0 0 "[ . 1 . 2]" 1
69 1 18 GLU HB3 1 18 GLU QG 2.980 . 3.880 2.298 2.133 2.517 . 0 0 "[ . 1 . 2]" 1
70 1 18 GLU HA 1 18 GLU QG 3.510 . 4.920 2.736 2.139 3.291 . 0 0 "[ . 1 . 2]" 1
71 1 18 GLU H 1 18 GLU QG 3.440 . 4.920 2.720 1.957 3.828 0.043 4 0 "[ . 1 . 2]" 1
72 1 19 SER QB 1 23 PHE QD 4.000 . 5.300 2.128 1.950 2.759 0.050 3 0 "[ . 1 . 2]" 1
73 1 20 HIS HA 1 20 HIS QB 2.580 . 3.410 2.193 2.181 2.202 . 0 0 "[ . 1 . 2]" 1
74 1 21 ILE HA 1 27 ALA HA 3.380 . 4.810 4.905 4.830 5.058 0.248 19 0 "[ . 1 . 2]" 1
75 1 17 PRO HG2 1 22 PHE HA 2.890 . 3.930 3.863 3.430 3.975 0.045 4 0 "[ . 1 . 2]" 1
76 1 17 PRO HB2 1 21 ILE HB 3.750 . 5.300 4.875 4.587 5.226 . 0 0 "[ . 1 . 2]" 1
77 1 21 ILE HB 1 21 ILE QG 3.630 . 4.590 2.390 2.043 2.536 . 0 0 "[ . 1 . 2]" 1
78 1 21 ILE H 1 21 ILE QG 3.690 . 5.300 2.902 2.360 4.117 . 0 0 "[ . 1 . 2]" 1
79 1 17 PRO HB2 1 21 ILE MG 3.140 . 4.370 3.420 2.113 4.286 . 0 0 "[ . 1 . 2]" 1
80 1 12 PHE HB3 1 21 ILE MG 3.940 . 5.300 5.381 4.893 5.572 0.272 2 0 "[ . 1 . 2]" 1
81 1 12 PHE HZ 1 21 ILE HA 4.000 . 5.300 5.147 4.593 5.397 0.097 2 0 "[ . 1 . 2]" 1
82 1 12 PHE QE 1 25 THR MG 3.200 . 4.480 4.067 2.859 4.579 0.099 11 0 "[ . 1 . 2]" 1
83 1 25 THR MG 1 26 VAL H 4.000 . 5.300 2.814 2.630 3.504 . 0 0 "[ . 1 . 2]" 1
84 1 26 VAL QG 1 28 ALA H 3.810 . 5.300 4.551 4.432 4.808 . 0 0 "[ . 1 . 2]" 1
85 1 26 VAL QG 1 27 ALA H 3.940 . 5.300 3.478 2.921 3.751 . 0 0 "[ . 1 . 2]" 1
86 1 26 VAL HA 1 29 HIS HB2 3.570 . 5.160 2.774 2.263 3.934 . 0 0 "[ . 1 . 2]" 1
87 1 26 VAL HA 1 27 ALA H 4.000 . 5.300 3.404 3.220 3.519 . 0 0 "[ . 1 . 2]" 1
88 1 26 VAL QG 1 27 ALA HA 3.750 . 5.300 4.163 3.428 4.661 . 0 0 "[ . 1 . 2]" 1
89 1 27 ALA HA 1 28 ALA H 3.870 . 5.300 3.547 3.446 3.647 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE MD 1 27 ALA MB 2.950 . 4.040 2.543 1.928 3.176 . 0 0 "[ . 1 . 2]" 1
91 1 21 ILE HB 1 27 ALA MB 3.260 . 4.590 4.631 4.306 4.814 0.224 11 0 "[ . 1 . 2]" 1
92 1 11 ILE QG 1 27 ALA MB 2.710 . 3.630 2.720 2.204 3.496 . 0 0 "[ . 1 . 2]" 1
93 1 12 PHE QE 1 27 ALA MB 3.870 . 5.300 2.754 2.188 3.008 . 0 0 "[ . 1 . 2]" 1
94 1 28 ALA HA 1 31 TYR H 3.140 . 4.370 4.355 4.062 4.482 0.112 15 0 "[ . 1 . 2]" 1
95 1 25 THR HB 1 28 ALA MB 3.260 . 4.590 3.912 3.122 4.636 0.046 5 0 "[ . 1 . 2]" 1
96 1 28 ALA H 1 28 ALA MB 2.640 . 3.510 2.298 2.126 2.474 . 0 0 "[ . 1 . 2]" 1
97 1 8 LEU HB3 1 28 ALA MB 3.870 . 5.300 3.454 2.871 3.858 . 0 0 "[ . 1 . 2]" 1
98 1 21 ILE MD 1 28 ALA MB 3.380 . 4.810 3.195 2.787 3.656 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE MG 1 28 ALA MB 3.570 . 5.160 5.189 4.974 5.255 0.095 11 0 "[ . 1 . 2]" 1
100 1 29 HIS HA 1 31 TYR H 3.440 . 4.920 3.604 3.318 3.985 . 0 0 "[ . 1 . 2]" 1
101 1 29 HIS HB3 1 29 HIS HD2 3.870 . 5.300 3.115 2.757 3.370 . 0 0 "[ . 1 . 2]" 1
102 1 30 LYS HA 1 30 LYS HG2 4.000 . 5.300 3.724 3.575 3.823 . 0 0 "[ . 1 . 2]" 1
103 1 30 LYS HA 1 30 LYS HG3 3.750 . 5.300 3.986 3.846 4.225 . 0 0 "[ . 1 . 2]" 1
104 1 30 LYS QD 1 30 LYS HG2 2.830 . 3.830 2.147 2.099 2.219 . 0 0 "[ . 1 . 2]" 1
105 1 1 MET QB 1 30 LYS HG2 3.940 . 5.300 5.367 5.169 5.419 0.119 9 0 "[ . 1 . 2]" 1
106 1 30 LYS HG3 1 31 TYR H 3.940 . 5.300 3.798 3.202 5.265 . 0 0 "[ . 1 . 2]" 1
107 1 30 LYS QD 1 30 LYS HG3 3.750 . 5.050 2.164 2.073 2.531 . 0 0 "[ . 1 . 2]" 1
108 1 26 VAL HB 1 30 LYS QD 3.570 . 5.160 5.014 4.600 5.092 . 0 0 "[ . 1 . 2]" 1
109 1 30 LYS QD 1 30 LYS QE 3.750 . 5.300 2.089 2.004 2.155 . 0 0 "[ . 1 . 2]" 1
110 1 38 LEU HA 1 41 GLU HB3 3.690 . 5.300 2.421 2.028 3.072 . 0 0 "[ . 1 . 2]" 1
111 1 30 LYS QD 1 30 LYS HE3 3.320 . 4.700 2.333 2.172 2.533 . 0 0 "[ . 1 . 2]" 1
112 1 30 LYS QD 1 30 LYS HE2 3.440 . 4.920 2.391 2.171 2.476 . 0 0 "[ . 1 . 2]" 1
113 1 30 LYS HE3 1 30 LYS HG2 3.750 . 5.300 3.866 2.979 4.303 . 0 0 "[ . 1 . 2]" 1
114 1 30 LYS HE2 1 30 LYS HG2 3.840 . 5.300 3.664 2.937 4.308 . 0 0 "[ . 1 . 2]" 1
115 1 30 LYS HE3 1 30 LYS HG3 3.870 . 5.300 3.750 2.624 4.303 . 0 0 "[ . 1 . 2]" 1
116 1 30 LYS HE2 1 30 LYS HG3 3.750 . 5.300 3.366 2.566 3.972 . 0 0 "[ . 1 . 2]" 1
117 1 30 LYS HE3 1 31 TYR QE 4.000 . 5.300 5.001 3.343 5.354 0.054 6 0 "[ . 1 . 2]" 1
118 1 22 PHE QE 1 31 TYR HA 4.000 . 5.300 4.473 4.266 4.762 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU MD1 1 31 TYR QB 3.540 . 5.100 3.794 3.099 4.658 . 0 0 "[ . 1 . 2]" 1
120 1 31 TYR QB 1 32 VAL QG 3.630 . 5.280 2.836 2.239 3.392 . 0 0 "[ . 1 . 2]" 1
121 1 28 ALA MB 1 31 TYR QB 3.750 . 5.300 4.379 3.971 5.147 . 0 0 "[ . 1 . 2]" 1
122 1 31 TYR HA 1 31 TYR QB 3.720 . 5.300 2.553 2.331 2.649 . 0 0 "[ . 1 . 2]" 1
123 1 31 TYR H 1 31 TYR QB 3.260 . 4.590 1.858 1.787 2.037 0.143 4 0 "[ . 1 . 2]" 1
124 1 31 TYR QB 1 32 VAL H 4.000 . 5.300 2.124 1.827 2.456 0.173 11 0 "[ . 1 . 2]" 1
125 1 4 ASP HB2 1 33 PRO HA 3.870 . 5.300 5.464 4.974 6.229 0.929 7 2 "[ . + 1 - 2]" 1
126 1 22 PHE HZ 1 33 PRO HA 3.690 . 5.300 5.279 4.743 5.445 0.145 13 0 "[ . 1 . 2]" 1
127 1 29 HIS HA 1 33 PRO HB2 3.200 . 4.480 4.598 4.504 5.033 0.553 20 1 "[ . 1 . +]" 1
128 1 10 THR HA 1 11 ILE H 3.870 . 5.300 2.989 2.847 3.349 . 0 0 "[ . 1 . 2]" 1
129 1 9 ARG QG 1 10 THR HA 4.000 . 5.300 4.357 4.129 4.576 . 0 0 "[ . 1 . 2]" 1
130 1 36 ALA MB 1 37 PHE QB 3.570 . 5.160 3.388 3.101 3.761 . 0 0 "[ . 1 . 2]" 1
131 1 33 PRO HB2 1 36 ALA MB 3.440 . 4.920 4.979 4.105 5.089 0.169 11 0 "[ . 1 . 2]" 1
132 1 33 PRO HG2 1 36 ALA MB 2.830 . 3.830 3.856 3.189 3.934 0.104 8 0 "[ . 1 . 2]" 1
133 1 36 ALA HA 1 40 ARG QD 3.810 . 5.300 4.127 2.814 5.324 0.024 15 0 "[ . 1 . 2]" 1
134 1 37 PHE HA 1 40 ARG QB 3.750 . 5.300 3.298 2.438 4.781 . 0 0 "[ . 1 . 2]" 1
135 1 37 PHE HA 1 38 LEU H 3.630 . 5.280 3.644 3.610 3.677 . 0 0 "[ . 1 . 2]" 1
136 1 23 PHE QD 1 37 PHE QB 3.260 . 4.590 4.940 4.844 5.007 0.417 2 0 "[ . 1 . 2]" 1
137 1 38 LEU HA 1 41 GLU H 3.810 . 5.300 2.950 2.556 3.175 . 0 0 "[ . 1 . 2]" 1
138 1 38 LEU HA 1 38 LEU HG 3.690 . 5.300 3.432 3.357 3.507 . 0 0 "[ . 1 . 2]" 1
139 1 32 VAL QG 1 38 LEU HA 3.440 . 4.920 3.562 3.085 3.894 . 0 0 "[ . 1 . 2]" 1
140 1 32 VAL QG 1 38 LEU HB3 4.000 . 5.300 3.252 2.262 4.762 . 0 0 "[ . 1 . 2]" 1
141 1 38 LEU MD2 1 57 PHE QD 3.380 . 4.810 3.785 3.476 4.009 . 0 0 "[ . 1 . 2]" 1
142 1 38 LEU H 1 38 LEU MD2 3.940 . 5.300 2.755 2.171 3.116 . 0 0 "[ . 1 . 2]" 1
143 1 38 LEU MD1 1 38 LEU MD2 2.710 . 3.630 2.037 1.947 2.124 . 0 0 "[ . 1 . 2]" 1
144 1 38 LEU HB3 1 38 LEU MD1 3.750 . 5.300 2.864 2.230 3.228 . 0 0 "[ . 1 . 2]" 1
145 1 38 LEU MD1 1 57 PHE QB 3.630 . 5.280 3.687 3.323 4.020 . 0 0 "[ . 1 . 2]" 1
146 1 38 LEU MD1 1 54 TRP HE3 3.440 . 4.920 3.472 3.119 3.730 . 0 0 "[ . 1 . 2]" 1
147 1 39 ARG HA 1 39 ARG QB 3.080 . 4.220 2.404 2.328 2.556 . 0 0 "[ . 1 . 2]" 1
148 1 39 ARG HA 1 42 LEU QB 3.080 . 4.260 3.292 2.727 3.757 . 0 0 "[ . 1 . 2]" 1
149 1 39 ARG HA 1 53 VAL MG2 3.200 . 4.480 4.419 3.948 4.625 0.145 10 0 "[ . 1 . 2]" 1
150 1 39 ARG HA 1 44 LEU QD 3.260 . 4.590 4.115 2.335 4.516 . 0 0 "[ . 1 . 2]" 1
151 1 39 ARG HA 1 42 LEU H 3.570 . 5.160 3.172 2.687 3.411 . 0 0 "[ . 1 . 2]" 1
152 1 39 ARG QB 1 40 ARG QD 3.260 . 4.590 3.454 2.528 4.528 . 0 0 "[ . 1 . 2]" 1
153 1 40 ARG HA 1 40 ARG QD 3.510 . 5.050 3.185 2.276 4.421 . 0 0 "[ . 1 . 2]" 1
154 1 40 ARG QB 1 40 ARG QD 3.200 . 4.480 2.543 2.152 3.052 . 0 0 "[ . 1 . 2]" 1
155 1 9 ARG HB3 1 14 GLU HA 3.080 . 4.260 2.363 2.041 2.477 . 0 0 "[ . 1 . 2]" 1
156 1 40 ARG HA 1 40 ARG HG3 3.510 . 5.050 3.122 2.312 4.138 . 0 0 "[ . 1 . 2]" 1
157 1 40 ARG HA 1 40 ARG HG2 3.630 . 5.280 3.393 2.487 3.755 . 0 0 "[ . 1 . 2]" 1
158 1 40 ARG QD 1 40 ARG HG3 3.140 . 4.370 2.387 2.197 2.507 . 0 0 "[ . 1 . 2]" 1
159 1 36 ALA HA 1 40 ARG QD 3.510 . 5.050 2.964 2.273 3.873 . 0 0 "[ . 1 . 2]" 1
160 1 41 GLU H 1 41 GLU HB2 3.630 . 5.280 2.519 2.289 2.686 . 0 0 "[ . 1 . 2]" 1
161 1 42 LEU H 1 42 LEU QB 4.000 . 5.300 2.186 1.929 2.533 0.071 14 0 "[ . 1 . 2]" 1
162 1 42 LEU QB 1 42 LEU MD1 3.080 . 4.260 2.087 2.006 2.383 . 0 0 "[ . 1 . 2]" 1
163 1 42 LEU QB 1 42 LEU QD 3.510 . 5.050 1.938 1.883 2.074 0.087 9 0 "[ . 1 . 2]" 1
164 1 42 LEU QB 1 43 GLY QA 4.060 . 5.300 3.950 3.661 4.147 . 0 0 "[ . 1 . 2]" 1
165 1 42 LEU QB 1 44 LEU HA 3.510 . 5.050 4.723 4.223 5.114 0.064 15 0 "[ . 1 . 2]" 1
166 1 42 LEU MD1 1 44 LEU HB3 3.320 . 4.700 2.212 2.073 2.557 . 0 0 "[ . 1 . 2]" 1
167 1 44 LEU H 1 44 LEU HB2 3.690 . 5.300 3.275 2.269 3.976 . 0 0 "[ . 1 . 2]" 1
168 1 44 LEU H 1 44 LEU HG 3.630 . 5.280 3.830 2.150 4.550 . 0 0 "[ . 1 . 2]" 1
169 1 44 LEU QD 1 56 LYS HE2 3.320 . 4.700 3.682 2.262 4.533 . 0 0 "[ . 1 . 2]" 1
170 1 44 LEU HB2 1 44 LEU QD 3.110 . 4.320 2.211 2.070 2.340 . 0 0 "[ . 1 . 2]" 1
171 1 44 LEU H 1 44 LEU QD 3.630 . 5.280 2.895 2.192 3.754 . 0 0 "[ . 1 . 2]" 1
172 1 47 ALA H 1 47 ALA MB 4.060 . 5.300 2.154 2.000 2.268 . 0 0 "[ . 1 . 2]" 1
173 1 51 ARG HA 1 54 TRP QB 3.260 . 4.590 2.772 2.179 3.132 . 0 0 "[ . 1 . 2]" 1
174 1 51 ARG HA 1 51 ARG QB 3.110 . 4.320 2.351 2.262 2.507 . 0 0 "[ . 1 . 2]" 1
175 1 51 ARG HA 1 51 ARG QG 2.830 . 3.830 2.740 2.401 3.114 . 0 0 "[ . 1 . 2]" 1
176 1 51 ARG QB 1 51 ARG HD2 3.810 . 5.300 3.007 2.617 3.634 . 0 0 "[ . 1 . 2]" 1
177 1 51 ARG HA 1 51 ARG HD2 3.570 . 5.160 3.259 1.993 4.579 . 0 0 "[ . 1 . 2]" 1
178 1 51 ARG HA 1 51 ARG HD3 3.690 . 5.300 3.662 2.105 4.770 . 0 0 "[ . 1 . 2]" 1
179 1 51 ARG HD3 1 51 ARG QG 2.640 . 3.510 2.368 2.201 2.477 . 0 0 "[ . 1 . 2]" 1
180 1 52 LYS QD 1 52 LYS HE3 3.080 . 4.260 2.297 2.154 2.432 . 0 0 "[ . 1 . 2]" 1
181 1 52 LYS HB2 1 52 LYS QD 2.770 . 3.730 2.613 2.323 3.639 . 0 0 "[ . 1 . 2]" 1
182 1 52 LYS HA 1 52 LYS QD 3.290 . 4.640 3.598 2.221 4.228 . 0 0 "[ . 1 . 2]" 1
183 1 55 LYS HE3 1 55 LYS QG 3.810 . 4.810 2.734 2.433 3.498 . 0 0 "[ . 1 . 2]" 1
184 1 55 LYS QB 1 55 LYS QG 2.890 . 3.930 2.047 1.904 2.074 . 0 0 "[ . 1 . 2]" 1
185 1 53 VAL HA 1 56 LYS QB 3.380 . 4.810 2.935 2.589 3.179 . 0 0 "[ . 1 . 2]" 1
186 1 38 LEU MD1 1 53 VAL MG2 3.690 . 5.300 2.339 1.968 2.851 0.022 1 0 "[ . 1 . 2]" 1
187 1 38 LEU HB3 1 53 VAL MG2 3.140 . 4.370 3.319 2.928 3.824 . 0 0 "[ . 1 . 2]" 1
188 1 53 VAL MG2 1 54 TRP H 3.810 . 5.300 3.876 3.618 4.130 . 0 0 "[ . 1 . 2]" 1
189 1 53 VAL HA 1 53 VAL MG2 2.890 . 3.930 2.310 2.232 2.407 . 0 0 "[ . 1 . 2]" 1
190 1 44 LEU QD 1 53 VAL MG2 2.800 . 3.780 3.248 1.916 3.732 . 0 0 "[ . 1 . 2]" 1
191 1 38 LEU MD1 1 53 VAL MG1 3.750 . 5.300 3.208 2.781 3.579 . 0 0 "[ . 1 . 2]" 1
192 1 39 ARG QD 1 53 VAL QG 3.200 . 4.480 4.516 4.007 4.666 0.186 15 0 "[ . 1 . 2]" 1
193 1 35 TYR QD 1 53 VAL MG1 3.570 . 5.160 2.105 1.971 2.384 0.009 4 0 "[ . 1 . 2]" 1
194 1 54 TRP HA 1 57 PHE QB 3.010 . 4.150 2.175 2.062 2.346 . 0 0 "[ . 1 . 2]" 1
195 1 54 TRP HA 1 55 LYS H 3.940 . 5.300 3.528 3.475 3.607 . 0 0 "[ . 1 . 2]" 1
196 1 54 TRP HA 1 54 TRP QB 3.510 . 5.050 2.311 2.240 2.400 . 0 0 "[ . 1 . 2]" 1
197 1 5 TYR QE 1 54 TRP QB 4.060 . 5.300 4.504 4.375 4.591 . 0 0 "[ . 1 . 2]" 1
198 1 55 LYS HA 1 57 PHE H 3.810 . 5.300 3.204 2.990 3.408 . 0 0 "[ . 1 . 2]" 1
199 1 55 LYS HA 1 55 LYS QD 3.010 . 4.150 4.061 2.910 4.203 0.053 17 0 "[ . 1 . 2]" 1
200 1 55 LYS HA 1 55 LYS QG 3.630 . 5.280 3.103 2.980 3.567 . 0 0 "[ . 1 . 2]" 1
201 1 52 LYS HA 1 55 LYS HB3 3.440 . 4.920 2.367 2.297 2.525 . 0 0 "[ . 1 . 2]" 1
202 1 52 LYS HA 1 55 LYS HB2 3.320 . 4.700 3.535 3.409 3.634 . 0 0 "[ . 1 . 2]" 1
203 1 55 LYS HB3 1 55 LYS QD 2.830 . 3.830 2.043 1.997 2.143 . 0 0 "[ . 1 . 2]" 1
204 1 8 LEU HB3 1 17 PRO HG2 3.940 . 5.300 4.451 3.963 5.185 . 0 0 "[ . 1 . 2]" 1
205 1 55 LYS QG 1 56 LYS HE2 3.440 . 4.920 4.140 3.158 4.829 . 0 0 "[ . 1 . 2]" 1
206 1 55 LYS H 1 55 LYS QG 3.810 . 5.300 3.715 3.649 3.758 . 0 0 "[ . 1 . 2]" 1
207 1 55 LYS QD 1 55 LYS HE3 3.380 . 4.810 2.368 2.170 2.442 . 0 0 "[ . 1 . 2]" 1
208 1 55 LYS HB2 1 55 LYS HE3 3.630 . 5.280 4.460 3.817 5.104 . 0 0 "[ . 1 . 2]" 1
209 1 55 LYS HB3 1 55 LYS HE3 3.630 . 5.280 4.469 3.067 5.398 0.118 12 0 "[ . 1 . 2]" 1
210 1 44 LEU QD 1 56 LYS HA 4.000 . 5.300 4.553 4.168 4.969 . 0 0 "[ . 1 . 2]" 1
211 1 42 LEU MD1 1 56 LYS QB 3.200 . 4.480 3.247 2.116 4.318 . 0 0 "[ . 1 . 2]" 1
212 1 46 SER HA 1 56 LYS QG 3.440 . 4.920 4.472 3.808 4.974 0.054 19 0 "[ . 1 . 2]" 1
213 1 56 LYS QD 1 56 LYS HE2 3.380 . 4.810 2.413 2.219 2.468 . 0 0 "[ . 1 . 2]" 1
214 1 56 LYS HA 1 56 LYS QD 3.510 . 5.050 2.457 2.121 3.871 . 0 0 "[ . 1 . 2]" 1
215 1 52 LYS HB2 1 52 LYS HE3 3.940 . 5.300 4.672 3.823 5.423 0.123 8 0 "[ . 1 . 2]" 1
216 1 56 LYS HE2 1 56 LYS QG 3.010 . 4.150 2.489 2.360 3.380 . 0 0 "[ . 1 . 2]" 1
217 1 15 LYS HE3 1 44 LEU QD 3.940 . 5.300 3.336 2.190 4.232 . 0 0 "[ . 1 . 2]" 1
218 1 56 LYS QB 1 56 LYS QD . . 2.280 2.269 2.130 2.300 0.020 2 0 "[ . 1 . 2]" 1
219 1 56 LYS QB 1 56 LYS QG 2.860 . 3.630 2.030 1.991 2.123 . 0 0 "[ . 1 . 2]" 1
220 1 55 LYS QG 1 56 LYS HA 3.080 . 4.260 2.661 2.307 2.913 . 0 0 "[ . 1 . 2]" 1
221 1 55 LYS QG 1 56 LYS HA 2.890 . 3.930 2.353 2.100 3.117 . 0 0 "[ . 1 . 2]" 1
222 1 57 PHE HA 1 57 PHE QB 3.010 . 4.150 2.590 2.534 2.620 . 0 0 "[ . 1 . 2]" 1
223 1 42 LEU MD1 1 57 PHE HA 3.080 . 4.260 3.714 3.367 4.278 0.018 18 0 "[ . 1 . 2]" 1
224 1 42 LEU MD1 1 57 PHE QB 3.750 . 5.300 4.242 2.999 5.294 . 0 0 "[ . 1 . 2]" 1
225 1 58 VAL HA 1 59 GLU H 3.690 . 5.300 3.315 3.231 3.392 . 0 0 "[ . 1 . 2]" 1
226 1 58 VAL HA 1 61 TYR H 4.000 . 5.300 2.691 2.544 2.863 . 0 0 "[ . 1 . 2]" 1
227 1 58 VAL HA 1 61 TYR HB3 3.630 . 5.280 2.560 2.326 3.619 . 0 0 "[ . 1 . 2]" 1
228 1 55 LYS HA 1 58 VAL HB 3.080 . 4.260 4.465 4.277 4.550 0.290 17 0 "[ . 1 . 2]" 1
229 1 59 GLU H 1 59 GLU HA 2.950 . 4.040 2.851 2.837 2.873 . 0 0 "[ . 1 . 2]" 1
230 1 59 GLU H 1 59 GLU QB 2.950 . 4.040 2.236 2.201 2.300 . 0 0 "[ . 1 . 2]" 1
231 1 59 GLU QB 1 60 ALA H 3.320 . 4.700 2.766 2.644 2.863 . 0 0 "[ . 1 . 2]" 1
232 1 56 LYS HA 1 59 GLU QB 3.140 . 4.370 2.359 2.253 2.454 . 0 0 "[ . 1 . 2]" 1
233 1 59 GLU QB 1 60 ALA MB 3.200 . 4.480 4.352 4.203 4.472 . 0 0 "[ . 1 . 2]" 1
234 1 55 LYS QG 1 59 GLU QB 3.260 . 4.590 3.259 2.904 3.541 . 0 0 "[ . 1 . 2]" 1
235 1 44 LEU QD 1 59 GLU QB 3.750 . 5.300 4.366 4.204 4.632 . 0 0 "[ . 1 . 2]" 1
236 1 59 GLU HA 1 59 GLU HG3 3.320 . 4.700 2.763 2.508 3.675 . 0 0 "[ . 1 . 2]" 1
237 1 59 GLU HA 1 59 GLU HG2 3.290 . 4.640 3.236 2.472 3.822 . 0 0 "[ . 1 . 2]" 1
238 1 59 GLU H 1 59 GLU HG2 3.510 . 5.050 4.544 3.923 4.664 . 0 0 "[ . 1 . 2]" 1
239 1 76 LEU QB 1 80 GLU HG2 3.260 . 4.590 3.812 2.122 4.611 0.021 7 0 "[ . 1 . 2]" 1
240 1 60 ALA HA 1 63 LYS H 3.690 . 5.300 4.016 3.739 4.402 . 0 0 "[ . 1 . 2]" 1
241 1 57 PHE QD 1 60 ALA MB 3.570 . 5.160 3.988 3.671 4.202 . 0 0 "[ . 1 . 2]" 1
242 1 59 GLU QB 1 60 ALA MB 3.140 . 4.370 4.251 4.054 4.371 0.001 17 0 "[ . 1 . 2]" 1
243 1 3 ILE MD 1 60 ALA MB 2.680 . 3.570 3.680 3.576 3.815 0.245 11 0 "[ . 1 . 2]" 1
244 1 5 TYR QB 1 61 TYR HA 3.440 . 4.920 2.231 2.041 2.454 . 0 0 "[ . 1 . 2]" 1
245 1 58 VAL QG 1 61 TYR HA 3.510 . 5.050 3.897 3.729 4.077 . 0 0 "[ . 1 . 2]" 1
246 1 61 TYR HA 1 62 GLY H 4.060 . 5.300 3.415 3.366 3.476 . 0 0 "[ . 1 . 2]" 1
247 1 62 GLY HA3 1 63 LYS H 3.810 . 5.300 3.395 3.211 3.471 . 0 0 "[ . 1 . 2]" 1
248 1 62 GLY HA2 1 65 ILE MG 3.690 . 5.300 2.404 2.050 3.010 . 0 0 "[ . 1 . 2]" 1
249 1 62 GLY HA3 1 65 ILE MG 3.690 . 5.300 3.671 3.459 4.044 . 0 0 "[ . 1 . 2]" 1
250 1 63 LYS HA 1 65 ILE MG 3.080 . 4.260 3.962 3.520 4.351 0.091 7 0 "[ . 1 . 2]" 1
251 1 29 HIS HD2 1 33 PRO HB3 3.750 . 5.300 2.138 1.984 2.416 0.006 2 0 "[ . 1 . 2]" 1
252 1 60 ALA HA 1 63 LYS HB3 3.690 . 5.300 3.435 2.757 3.974 . 0 0 "[ . 1 . 2]" 1
253 1 53 VAL HA 1 55 LYS QG 3.810 . 5.300 5.215 5.142 5.239 . 0 0 "[ . 1 . 2]" 1
254 1 63 LYS H 1 63 LYS HG2 3.940 . 5.300 3.977 3.041 4.646 . 0 0 "[ . 1 . 2]" 1
255 1 63 LYS HA 1 63 LYS HG2 3.260 . 4.590 3.647 2.801 4.242 . 0 0 "[ . 1 . 2]" 1
256 1 63 LYS HA 1 63 LYS HG3 3.260 . 4.590 3.919 3.273 4.166 . 0 0 "[ . 1 . 2]" 1
257 1 3 ILE MD 1 63 LYS QD 2.710 . 3.630 3.563 2.829 3.726 0.096 13 0 "[ . 1 . 2]" 1
258 1 3 ILE MG 1 63 LYS QD 3.750 . 5.300 5.124 4.429 5.346 0.046 20 0 "[ . 1 . 2]" 1
259 1 63 LYS HA 1 63 LYS QD 3.380 . 4.810 4.150 3.857 4.471 . 0 0 "[ . 1 . 2]" 1
260 1 60 ALA HA 1 63 LYS QD 3.690 . 5.300 3.931 2.453 5.388 0.088 20 0 "[ . 1 . 2]" 1
261 1 63 LYS QE 1 63 LYS HG2 3.290 . 4.640 2.771 2.050 3.764 . 0 0 "[ . 1 . 2]" 1
262 1 63 LYS QE 1 65 ILE H 3.690 . 5.300 4.747 4.039 5.226 . 0 0 "[ . 1 . 2]" 1
263 1 5 TYR QB 1 64 ALA MB 3.380 . 4.810 3.225 2.879 3.457 . 0 0 "[ . 1 . 2]" 1
264 1 61 TYR HA 1 65 ILE HB 4.060 . 5.300 3.970 3.753 4.285 . 0 0 "[ . 1 . 2]" 1
265 1 65 ILE H 1 65 ILE HG12 3.200 . 4.480 4.642 4.494 4.768 0.288 3 0 "[ . 1 . 2]" 1
266 1 65 ILE HA 1 65 ILE HG12 3.480 . 4.990 3.495 2.902 3.778 . 0 0 "[ . 1 . 2]" 1
267 1 65 ILE HG12 1 65 ILE MG 2.950 . 4.040 2.350 2.245 2.579 . 0 0 "[ . 1 . 2]" 1
268 1 62 GLY HA2 1 65 ILE MG 3.010 . 4.150 2.332 2.029 2.775 . 0 0 "[ . 1 . 2]" 1
269 1 65 ILE MG 1 66 PRO QD 3.140 . 4.370 4.103 3.836 4.347 . 0 0 "[ . 1 . 2]" 1
270 1 65 ILE HB 1 65 ILE HG13 2.710 . 3.630 2.842 2.427 3.077 . 0 0 "[ . 1 . 2]" 1
271 1 65 ILE H 1 65 ILE HG13 3.750 . 5.300 4.514 4.440 4.560 . 0 0 "[ . 1 . 2]" 1
272 1 65 ILE MD 1 65 ILE HG12 2.770 . 3.730 2.179 2.161 2.214 . 0 0 "[ . 1 . 2]" 1
273 1 65 ILE HB 1 65 ILE MD 3.010 . 4.150 2.326 2.195 2.466 . 0 0 "[ . 1 . 2]" 1
274 1 6 SER HA 1 65 ILE MD 3.010 . 4.150 2.709 2.037 3.599 . 0 0 "[ . 1 . 2]" 1
275 1 65 ILE H 1 65 ILE MD 3.510 . 5.050 4.330 4.017 4.750 . 0 0 "[ . 1 . 2]" 1
276 1 73 PRO HD3 1 73 PRO HG3 1.910 . 2.360 2.327 2.284 2.384 0.024 19 0 "[ . 1 . 2]" 1
277 1 73 PRO HD3 1 73 PRO HG2 2.230 . 2.850 2.953 2.918 2.984 0.134 19 0 "[ . 1 . 2]" 1
278 1 73 PRO HA 1 73 PRO HD3 2.830 . 3.830 3.673 3.253 3.865 0.035 20 0 "[ . 1 . 2]" 1
279 1 74 LEU HA 1 74 LEU MD1 3.570 . 5.160 2.993 2.119 4.152 . 0 0 "[ . 1 . 2]" 1
280 1 74 LEU HA 1 74 LEU QB 3.510 . 5.050 2.101 1.943 2.222 0.037 3 0 "[ . 1 . 2]" 1
281 1 74 LEU HA 1 74 LEU QB 3.440 . 4.920 2.387 2.138 2.472 . 0 0 "[ . 1 . 2]" 1
282 1 74 LEU HA 1 74 LEU HG 3.570 . 5.160 3.283 2.404 4.279 . 0 0 "[ . 1 . 2]" 1
283 1 74 LEU QB 1 74 LEU MD2 2.890 . 3.930 2.320 2.161 2.529 . 0 0 "[ . 1 . 2]" 1
284 1 74 LEU MD2 1 74 LEU HG 2.890 . 3.930 2.168 2.152 2.189 . 0 0 "[ . 1 . 2]" 1
285 1 74 LEU QB 1 74 LEU MD1 2.640 . 3.510 2.053 1.935 2.212 . 0 0 "[ . 1 . 2]" 1
286 1 75 THR HB 1 75 THR MG 3.040 . 4.200 2.187 2.156 2.222 . 0 0 "[ . 1 . 2]" 1
287 1 75 THR HA 1 75 THR MG 3.440 . 4.920 2.740 2.163 3.306 . 0 0 "[ . 1 . 2]" 1
288 1 76 LEU HA 1 76 LEU QB 3.630 . 5.280 2.352 2.108 2.591 . 0 0 "[ . 1 . 2]" 1
289 1 76 LEU HA 1 76 LEU QD 3.140 . 4.370 2.605 1.972 3.489 . 0 0 "[ . 1 . 2]" 1
290 1 74 LEU HA 1 74 LEU MD1 3.230 . 4.530 2.556 1.923 3.589 0.007 14 0 "[ . 1 . 2]" 1
291 1 77 SER HA 1 81 HIS HA 2.950 . 4.040 3.944 2.874 4.242 0.202 19 0 "[ . 1 . 2]" 1
292 1 77 SER H 1 77 SER HA 3.750 . 5.300 2.432 2.099 2.837 . 0 0 "[ . 1 . 2]" 1
293 1 77 SER HA 1 77 SER QB 2.980 . 4.090 2.335 2.141 2.539 . 0 0 "[ . 1 . 2]" 1
294 1 52 LYS HE3 1 52 LYS QG 3.510 . 5.050 3.061 2.451 3.632 . 0 0 "[ . 1 . 2]" 1
295 1 9 ARG HB3 1 13 GLY HA2 3.320 . 4.700 2.380 2.037 2.498 . 0 0 "[ . 1 . 2]" 1
296 1 80 GLU HA 1 80 GLU QB 3.350 . 4.750 2.392 2.041 2.509 . 0 0 "[ . 1 . 2]" 1
297 1 80 GLU QB 1 80 GLU HG3 2.890 . 3.930 2.384 2.173 2.483 . 0 0 "[ . 1 . 2]" 1
298 1 80 GLU QB 1 80 GLU HG2 2.580 . 3.410 2.291 2.151 2.439 . 0 0 "[ . 1 . 2]" 1
299 1 81 HIS HA 1 81 HIS QB 4.060 . 5.300 2.349 2.131 2.536 . 0 0 "[ . 1 . 2]" 1
300 1 9 ARG HB2 1 65 ILE MD 3.750 . 5.300 3.106 2.545 3.537 . 0 0 "[ . 1 . 2]" 1
301 1 9 ARG HA 1 9 ARG QG 3.600 . 5.220 3.239 3.052 3.399 . 0 0 "[ . 1 . 2]" 1
302 1 9 ARG QD 1 9 ARG QG 3.630 . 4.700 2.152 2.137 2.165 . 0 0 "[ . 1 . 2]" 1
303 1 9 ARG H 1 9 ARG QG 3.750 . 5.300 1.992 1.903 2.104 0.087 18 0 "[ . 1 . 2]" 1
304 1 9 ARG HB3 1 9 ARG QD 3.080 . 4.260 1.991 1.912 2.037 . 0 0 "[ . 1 . 2]" 1
305 1 9 ARG QD 1 65 ILE MD 3.440 . 4.920 2.092 1.966 2.455 . 0 0 "[ . 1 . 2]" 1
306 1 14 GLU HA 1 14 GLU QG 3.510 . 5.050 2.883 2.425 3.593 . 0 0 "[ . 1 . 2]" 1
307 1 14 GLU QG 1 15 LYS QB 3.750 . 5.300 3.025 2.576 3.587 . 0 0 "[ . 1 . 2]" 1
308 1 14 GLU QG 1 15 LYS QG 3.750 . 5.300 4.739 4.251 5.257 . 0 0 "[ . 1 . 2]" 1
309 1 14 GLU H 1 14 GLU QG 4.060 . 5.300 3.350 1.994 4.038 0.006 14 0 "[ . 1 . 2]" 1
310 1 21 ILE HB 1 21 ILE MD 3.140 . 4.370 2.386 2.124 3.173 . 0 0 "[ . 1 . 2]" 1
311 1 21 ILE MD 1 22 PHE HA 3.010 . 4.150 4.217 3.183 4.327 0.177 16 0 "[ . 1 . 2]" 1
312 1 21 ILE H 1 21 ILE MD 3.630 . 5.280 4.074 3.798 4.203 . 0 0 "[ . 1 . 2]" 1
313 1 20 HIS HD2 1 21 ILE MD 3.570 . 5.160 4.883 4.357 5.166 0.006 20 0 "[ . 1 . 2]" 1
314 1 20 HIS HE1 1 21 ILE MD 4.060 . 5.300 5.366 5.335 5.418 0.118 9 0 "[ . 1 . 2]" 1
315 1 21 ILE MD 1 22 PHE H 3.510 . 5.050 4.084 3.111 4.350 . 0 0 "[ . 1 . 2]" 1
316 1 77 SER QB 1 80 GLU QB 3.290 . 4.640 4.396 2.862 4.612 . 0 0 "[ . 1 . 2]" 1
317 1 46 SER HA 1 48 HIS HB2 3.260 . 4.590 4.657 4.407 5.455 0.865 19 2 "[ . 1 - +2]" 1
318 1 46 SER HB2 1 57 PHE H 3.750 . 5.300 5.308 5.091 5.403 0.103 18 0 "[ . 1 . 2]" 1
319 1 46 SER HB3 1 57 PHE H 3.750 . 5.300 5.408 5.303 5.519 0.219 8 0 "[ . 1 . 2]" 1
320 1 8 LEU HB3 1 8 LEU HG 3.690 . 5.300 2.313 2.186 2.440 . 0 0 "[ . 1 . 2]" 1
321 1 5 TYR HA 1 8 LEU HG 3.630 . 5.280 2.689 2.374 3.142 . 0 0 "[ . 1 . 2]" 1
322 1 8 LEU H 1 8 LEU HG 3.940 . 5.300 3.750 2.964 4.072 . 0 0 "[ . 1 . 2]" 1
323 1 33 PRO HD3 1 37 PHE QD 4.000 . 5.300 4.059 3.731 4.665 . 0 0 "[ . 1 . 2]" 1
324 1 33 PRO HB2 1 33 PRO HD3 3.750 . 5.300 3.833 3.681 3.966 . 0 0 "[ . 1 . 2]" 1
325 1 33 PRO HB3 1 33 PRO HD2 3.570 . 5.160 2.364 2.295 2.433 . 0 0 "[ . 1 . 2]" 1
326 1 33 PRO HG2 1 37 PHE QB 2.950 . 4.040 2.509 2.134 3.013 . 0 0 "[ . 1 . 2]" 1
327 1 29 HIS HA 1 33 PRO HA 3.010 . 4.150 2.599 2.054 3.134 . 0 0 "[ . 1 . 2]" 1
328 1 17 PRO HD3 1 22 PHE QD 3.940 . 5.300 5.209 4.883 5.402 0.102 19 0 "[ . 1 . 2]" 1
329 1 16 LEU HB3 1 17 PRO HD3 3.630 . 5.280 4.157 3.512 4.787 . 0 0 "[ . 1 . 2]" 1
330 1 9 ARG HE 1 17 PRO HD2 4.000 . 5.300 3.507 2.392 4.658 . 0 0 "[ . 1 . 2]" 1
331 1 35 TYR HA 1 38 LEU MD2 3.440 . 4.920 3.120 2.731 3.505 . 0 0 "[ . 1 . 2]" 1
332 1 3 ILE H 1 3 ILE MD 3.630 . 5.280 4.037 2.075 4.409 . 0 0 "[ . 1 . 2]" 1
333 1 3 ILE MD 1 37 PHE QE 3.260 . 4.590 4.718 4.653 4.911 0.321 11 0 "[ . 1 . 2]" 1
334 1 3 ILE MD 1 5 TYR QE 3.570 . 5.160 2.304 2.006 2.856 . 0 0 "[ . 1 . 2]" 1
335 1 3 ILE MD 1 57 PHE QE 3.630 . 5.280 4.231 3.063 5.305 0.025 11 0 "[ . 1 . 2]" 1
336 1 1 MET HA 1 1 MET QB 3.380 . 4.810 2.434 2.319 2.550 . 0 0 "[ . 1 . 2]" 1
337 1 39 ARG QB 1 39 ARG QD 3.690 . 5.300 2.248 2.063 2.729 . 0 0 "[ . 1 . 2]" 1
338 1 49 THR MG 1 51 ARG QG 2.830 . 3.830 3.399 2.490 3.867 0.037 11 0 "[ . 1 . 2]" 1
339 1 49 THR HA 1 49 THR MG 3.010 . 4.150 2.489 2.346 3.236 . 0 0 "[ . 1 . 2]" 1
340 1 65 ILE HA 1 66 PRO QD 2.890 . 3.930 2.139 2.003 2.617 . 0 0 "[ . 1 . 2]" 1
341 1 79 LEU HA 1 79 LEU MD1 3.750 . 5.300 3.086 2.106 4.173 . 0 0 "[ . 1 . 2]" 1
342 1 79 LEU HA 1 79 LEU QB 3.570 . 5.160 2.380 2.151 2.462 . 0 0 "[ . 1 . 2]" 1
343 1 16 LEU QD 1 17 PRO HD2 3.510 . 5.050 3.042 2.251 3.802 . 0 0 "[ . 1 . 2]" 1
344 1 16 LEU HA 1 17 PRO HD2 3.230 . 4.530 2.329 1.955 3.284 . 0 0 "[ . 1 . 2]" 1
345 1 17 PRO HG2 1 18 GLU H 4.000 . 5.300 3.654 3.327 4.018 . 0 0 "[ . 1 . 2]" 1
346 1 16 LEU QD 1 54 TRP HZ2 4.120 . 5.300 3.352 2.437 4.256 . 0 0 "[ . 1 . 2]" 1
347 1 16 LEU QD 1 54 TRP HH2 4.240 . 5.300 3.311 2.420 3.879 . 0 0 "[ . 1 . 2]" 1
348 1 3 ILE MG 1 57 PHE QE 4.000 . 5.300 2.660 2.113 3.225 . 0 0 "[ . 1 . 2]" 1
349 1 3 ILE MG 1 5 TYR QD 4.310 . 5.300 3.597 3.197 3.940 . 0 0 "[ . 1 . 2]" 1
350 1 3 ILE MG 1 37 PHE QE 4.550 . 5.300 3.515 3.164 3.895 . 0 0 "[ . 1 . 2]" 1
351 1 38 LEU MD1 1 57 PHE QD 3.570 . 5.160 3.176 2.983 3.384 . 0 0 "[ . 1 . 2]" 1
352 1 53 VAL MG2 1 54 TRP HE3 4.000 . 5.300 2.803 2.272 3.752 . 0 0 "[ . 1 . 2]" 1
353 1 53 VAL MG1 1 54 TRP HZ2 3.630 . 5.280 5.260 5.109 5.359 0.079 17 0 "[ . 1 . 2]" 1
354 1 5 TYR QE 1 64 ALA MB 3.510 . 5.050 4.307 4.024 4.518 . 0 0 "[ . 1 . 2]" 1
355 1 42 LEU H 1 42 LEU MD1 3.750 . 5.300 3.525 2.785 3.975 . 0 0 "[ . 1 . 2]" 1
356 1 42 LEU MD1 1 57 PHE QD 3.940 . 5.300 2.373 1.999 3.455 0.001 12 0 "[ . 1 . 2]" 1
357 1 8 LEU HB2 1 61 TYR QE 4.060 . 5.300 2.285 2.066 2.605 . 0 0 "[ . 1 . 2]" 1
358 1 22 PHE QE 1 32 VAL QG 3.840 . 5.300 2.773 2.299 3.691 . 0 0 "[ . 1 . 2]" 1
359 1 5 TYR QD 1 22 PHE QD 4.840 . 5.300 5.457 5.404 5.525 0.225 11 0 "[ . 1 . 2]" 1
360 1 8 LEU MD1 1 22 PHE HZ 4.700 . 5.300 4.163 3.643 4.706 . 0 0 "[ . 1 . 2]" 1
361 1 16 LEU HB3 1 22 PHE HZ 4.060 . 5.300 4.372 4.036 4.653 . 0 0 "[ . 1 . 2]" 1
362 1 22 PHE HZ 1 32 VAL QG 3.920 . 4.850 2.583 2.229 3.468 . 0 0 "[ . 1 . 2]" 1
363 1 31 TYR QB 1 31 TYR QD 3.770 . 5.300 2.106 2.015 2.212 . 0 0 "[ . 1 . 2]" 1
364 1 31 TYR HA 1 31 TYR QD 3.920 . 5.300 2.586 2.129 3.272 . 0 0 "[ . 1 . 2]" 1
365 1 1 MET HA 1 31 TYR QD 4.200 . 5.300 3.661 2.666 4.396 . 0 0 "[ . 1 . 2]" 1
366 1 1 MET QG 1 31 TYR QE 4.270 . 5.300 2.702 2.104 3.161 . 0 0 "[ . 1 . 2]" 1
367 1 6 SER QB 1 31 TYR QE 4.630 . 5.300 2.398 1.998 4.174 . 0 0 "[ . 1 . 2]" 1
368 1 8 LEU MD1 1 31 TYR QE 4.630 . 5.300 2.742 2.214 3.313 . 0 0 "[ . 1 . 2]" 1
369 1 32 VAL HA 1 37 PHE QD 4.560 . 5.300 3.094 2.981 3.241 . 0 0 "[ . 1 . 2]" 1
370 1 3 ILE MG 1 37 PHE QD 4.910 . 5.300 3.878 3.512 4.429 . 0 0 "[ . 1 . 2]" 1
371 1 3 ILE MG 1 57 PHE HZ 4.910 . 5.300 2.174 1.975 2.713 . 0 0 "[ . 1 . 2]" 1
372 1 5 TYR HA 1 5 TYR QD 4.240 . 5.300 2.526 2.312 2.715 . 0 0 "[ . 1 . 2]" 1
373 1 5 TYR QD 1 61 TYR HA 4.630 . 5.300 3.405 3.250 3.630 . 0 0 "[ . 1 . 2]" 1
374 1 5 TYR QD 1 8 LEU MD2 4.410 . 5.300 4.340 3.605 5.406 0.106 14 0 "[ . 1 . 2]" 1
375 1 5 TYR QD 1 64 ALA MB 4.410 . 5.300 2.982 2.733 3.275 . 0 0 "[ . 1 . 2]" 1
376 1 8 LEU MD1 1 31 TYR QD 4.270 . 5.300 2.923 2.158 3.526 . 0 0 "[ . 1 . 2]" 1
377 1 28 ALA MB 1 31 TYR QD 4.340 . 5.300 4.979 4.349 5.414 0.114 9 0 "[ . 1 . 2]" 1
378 1 19 SER HA 1 35 TYR QD 4.410 . 5.300 4.569 3.840 5.058 . 0 0 "[ . 1 . 2]" 1
379 1 23 PHE HA 1 23 PHE QD 4.560 . 5.300 2.600 2.178 3.085 . 0 0 "[ . 1 . 2]" 1
380 1 35 TYR QE 1 54 TRP QB 4.160 . 5.300 4.719 4.524 4.832 . 0 0 "[ . 1 . 2]" 1
381 1 5 TYR QE 1 61 TYR H 4.700 . 5.300 3.955 3.765 4.123 . 0 0 "[ . 1 . 2]" 1
382 1 5 TYR QE 1 60 ALA MB 4.520 . 5.300 2.255 2.197 2.380 . 0 0 "[ . 1 . 2]" 1
383 1 3 ILE HB 1 5 TYR QE 4.630 . 5.300 2.303 2.038 2.969 . 0 0 "[ . 1 . 2]" 1
384 1 5 TYR QE 1 58 VAL QG 4.560 . 5.300 4.378 4.001 5.020 . 0 0 "[ . 1 . 2]" 1
385 1 3 ILE MG 1 5 TYR QE 4.660 . 5.300 2.810 2.082 3.204 . 0 0 "[ . 1 . 2]" 1
386 1 8 LEU HB3 1 61 TYR QE 4.520 . 5.300 3.679 2.810 4.033 . 0 0 "[ . 1 . 2]" 1
387 1 5 TYR HA 1 61 TYR QE 4.490 . 5.300 3.111 2.006 3.584 . 0 0 "[ . 1 . 2]" 1
388 1 5 TYR HA 1 5 TYR QE 4.770 . 5.300 4.525 4.302 4.690 . 0 0 "[ . 1 . 2]" 1
389 1 11 ILE MD 1 31 TYR QD 4.700 . 5.300 4.968 4.057 5.525 0.225 15 0 "[ . 1 . 2]" 1
390 1 23 PHE HA 1 29 HIS HD2 3.450 . 4.940 4.948 4.326 5.023 0.083 1 0 "[ . 1 . 2]" 1
391 1 5 TYR QB 1 5 TYR QD 3.850 . 5.300 2.032 2.006 2.057 . 0 0 "[ . 1 . 2]" 1
392 1 35 TYR HA 1 38 LEU HB2 2.750 . 3.690 3.454 2.193 4.380 0.690 11 1 "[ . 1+ . 2]" 1
393 1 4 ASP HB3 1 31 TYR H 3.650 . 5.300 3.520 2.945 3.910 . 0 0 "[ . 1 . 2]" 1
394 1 5 TYR HA 1 5 TYR QB 3.530 . 5.090 2.181 2.086 2.325 . 0 0 "[ . 1 . 2]" 1
395 1 5 TYR QB 1 61 TYR QD 4.200 . 5.300 2.155 1.972 2.525 0.018 4 0 "[ . 1 . 2]" 1
396 1 5 TYR HA 1 5 TYR QE 3.450 . 4.940 3.055 2.763 3.278 . 0 0 "[ . 1 . 2]" 1
397 1 6 SER H 1 6 SER HA 3.300 . 4.660 2.151 1.957 2.314 . 0 0 "[ . 1 . 2]" 1
398 1 8 LEU HA 1 8 LEU MD1 2.980 . 4.090 2.605 2.134 3.044 . 0 0 "[ . 1 . 2]" 1
399 1 8 LEU HB3 1 23 PHE QE 3.300 . 4.660 3.526 2.777 3.811 . 0 0 "[ . 1 . 2]" 1
400 1 5 TYR HA 1 8 LEU HB2 4.080 . 5.300 2.680 2.570 2.780 . 0 0 "[ . 1 . 2]" 1
401 1 8 LEU HB2 1 61 TYR QE 3.220 . 4.520 2.841 2.245 3.292 . 0 0 "[ . 1 . 2]" 1
402 1 8 LEU HB2 1 10 THR H 4.440 . 5.300 5.229 4.939 5.361 0.061 14 0 "[ . 1 . 2]" 1
403 1 11 ILE HB 1 12 PHE H 3.300 . 4.660 2.968 2.636 3.216 . 0 0 "[ . 1 . 2]" 1
404 1 5 TYR QE 1 11 ILE MD 3.220 . 4.520 3.741 3.316 4.095 . 0 0 "[ . 1 . 2]" 1
405 1 11 ILE MD 1 31 TYR QE 3.850 . 5.300 4.556 3.493 5.215 . 0 0 "[ . 1 . 2]" 1
406 1 11 ILE MD 1 16 LEU HB2 3.060 . 4.230 2.542 1.916 3.158 . 0 0 "[ . 1 . 2]" 1
407 1 27 ALA MB 1 28 ALA H 3.850 . 5.300 2.583 2.250 2.775 . 0 0 "[ . 1 . 2]" 1
408 1 3 ILE MG 1 5 TYR QD 4.440 . 5.300 3.708 3.262 4.164 . 0 0 "[ . 1 . 2]" 1
409 1 12 PHE HA 1 12 PHE QD 2.900 . 3.950 2.468 2.276 2.779 . 0 0 "[ . 1 . 2]" 1
410 1 12 PHE HB2 1 12 PHE QD 4.320 . 5.300 2.217 2.136 2.278 . 0 0 "[ . 1 . 2]" 1
411 1 12 PHE HB3 1 12 PHE QD 3.640 . 5.290 2.606 2.454 2.718 . 0 0 "[ . 1 . 2]" 1
412 1 14 GLU HA 1 61 TYR QE 4.340 . 5.300 3.967 3.041 5.183 . 0 0 "[ . 1 . 2]" 1
413 1 32 VAL HA 1 33 PRO HD3 3.960 . 5.300 2.412 2.261 2.619 . 0 0 "[ . 1 . 2]" 1
414 1 55 LYS HB2 1 56 LYS H 3.060 . 4.230 4.114 4.048 4.200 . 0 0 "[ . 1 . 2]" 1
415 1 8 LEU HG 1 22 PHE HB2 3.300 . 4.660 4.703 4.394 4.824 0.164 19 0 "[ . 1 . 2]" 1
416 1 15 LYS HB2 1 15 LYS QG 3.140 . 4.370 1.956 1.867 2.008 0.043 8 0 "[ . 1 . 2]" 1
417 1 15 LYS QG 1 54 TRP QB 3.140 . 4.370 3.259 2.725 3.984 . 0 0 "[ . 1 . 2]" 1
418 1 4 ASP HB2 1 31 TYR H 2.900 . 3.950 1.841 1.734 2.006 0.116 2 0 "[ . 1 . 2]" 1
419 1 11 ILE MG 1 12 PHE QE 3.300 . 4.660 2.442 2.003 2.752 . 0 0 "[ . 1 . 2]" 1
420 1 25 THR H 1 25 THR MG 3.060 . 4.230 3.792 2.202 3.940 . 0 0 "[ . 1 . 2]" 1
421 1 3 ILE HB 1 3 ILE MG 3.140 . 4.370 2.098 1.958 2.159 . 0 0 "[ . 1 . 2]" 1
422 1 16 LEU HB3 1 16 LEU QD 4.240 . 5.300 2.068 1.959 2.316 0.041 9 0 "[ . 1 . 2]" 1
423 1 16 LEU H 1 16 LEU HB3 4.320 . 5.300 3.460 2.819 3.670 . 0 0 "[ . 1 . 2]" 1
424 1 16 LEU HA 1 16 LEU HB3 3.610 . 5.240 2.470 2.242 2.615 . 0 0 "[ . 1 . 2]" 1
425 1 5 TYR QE 1 16 LEU QD 3.530 . 5.090 2.528 2.061 2.884 . 0 0 "[ . 1 . 2]" 1
426 1 12 PHE QD 1 16 LEU QD 3.960 . 5.300 4.936 4.395 5.243 . 0 0 "[ . 1 . 2]" 1
427 1 16 LEU H 1 16 LEU QD 4.320 . 5.300 2.568 1.912 2.936 0.078 17 0 "[ . 1 . 2]" 1
428 1 5 TYR QE 1 16 LEU QD 3.890 . 5.300 3.385 2.641 3.901 . 0 0 "[ . 1 . 2]" 1
429 1 16 LEU QD 1 61 TYR HB3 4.320 . 5.300 4.745 4.400 5.067 . 0 0 "[ . 1 . 2]" 1
430 1 16 LEU HB2 1 16 LEU QD 3.870 . 5.300 2.142 1.965 2.592 0.035 3 0 "[ . 1 . 2]" 1
431 1 16 LEU QD 1 58 VAL H 3.610 . 5.240 3.392 2.854 3.846 . 0 0 "[ . 1 . 2]" 1
432 1 19 SER QB 1 23 PHE HA 3.770 . 5.300 5.075 4.847 5.215 . 0 0 "[ . 1 . 2]" 1
433 1 10 THR MG 1 30 LYS HA 3.450 . 4.940 2.878 1.969 3.799 . 0 0 "[ . 1 . 2]" 1
434 1 18 GLU HB2 1 18 GLU QG 3.770 . 5.300 2.299 2.124 2.541 . 0 0 "[ . 1 . 2]" 1
435 1 3 ILE HB 1 3 ILE MD 3.490 . 5.020 2.571 2.174 2.953 . 0 0 "[ . 1 . 2]" 1
436 1 3 ILE HA 1 3 ILE QG 4.240 . 5.300 2.724 2.519 3.109 . 0 0 "[ . 1 . 2]" 1
437 1 8 LEU HB3 1 8 LEU MD2 4.020 . 5.300 2.746 2.374 3.217 . 0 0 "[ . 1 . 2]" 1
438 1 8 LEU MD2 1 8 LEU HG 3.690 . 5.300 2.152 2.078 2.221 . 0 0 "[ . 1 . 2]" 1
439 1 38 LEU HB2 1 38 LEU MD1 3.770 . 5.300 2.158 2.034 2.545 . 0 0 "[ . 1 . 2]" 1
440 1 11 ILE QG 1 11 ILE MG 3.960 . 4.660 2.033 1.909 2.477 0.091 3 0 "[ . 1 . 2]" 1
441 1 19 SER HA 1 19 SER QB 3.430 . 4.900 2.105 2.034 2.163 . 0 0 "[ . 1 . 2]" 1
442 1 19 SER H 1 19 SER HA 3.610 . 5.240 2.076 1.989 2.133 . 0 0 "[ . 1 . 2]" 1
443 1 20 HIS HB3 1 20 HIS HD2 3.450 . 4.940 3.701 3.295 4.115 . 0 0 "[ . 1 . 2]" 1
444 1 21 ILE HA 1 21 ILE QG 4.320 . 4.850 3.265 2.500 3.441 . 0 0 "[ . 1 . 2]" 1
445 1 21 ILE H 1 21 ILE MD 3.340 . 4.730 2.814 2.345 3.506 . 0 0 "[ . 1 . 2]" 1
446 1 17 PRO HG3 1 21 ILE MG 3.490 . 5.020 4.742 3.973 5.118 0.098 20 0 "[ . 1 . 2]" 1
447 1 17 PRO HB2 1 21 ILE MG 3.300 . 4.660 1.869 1.754 1.905 0.186 11 0 "[ . 1 . 2]" 1
448 1 18 GLU H 1 21 ILE MG 3.900 . 5.300 3.395 2.502 4.079 . 0 0 "[ . 1 . 2]" 1
449 1 38 LEU HA 1 57 PHE HZ 3.610 . 5.240 3.874 2.795 4.366 . 0 0 "[ . 1 . 2]" 1
450 1 23 PHE HA 1 23 PHE HB3 3.530 . 5.090 1.991 1.919 2.062 0.051 6 0 "[ . 1 . 2]" 1
451 1 23 PHE HB3 1 23 PHE QD 3.650 . 5.300 2.702 2.551 2.836 . 0 0 "[ . 1 . 2]" 1
452 1 23 PHE HB2 1 23 PHE QD 3.730 . 5.300 2.290 2.207 2.362 . 0 0 "[ . 1 . 2]" 1
453 1 12 PHE QE 1 25 THR MG 2.830 . 3.830 2.549 1.996 3.366 . 0 0 "[ . 1 . 2]" 1
454 1 26 VAL MG1 1 26 VAL MG2 2.200 . 2.800 2.096 2.043 2.197 . 0 0 "[ . 1 . 2]" 1
455 1 16 LEU HA 1 16 LEU HB2 2.830 . 3.830 2.137 1.999 2.197 . 0 0 "[ . 1 . 2]" 1
456 1 11 ILE MG 1 27 ALA MB 3.640 . 5.290 2.081 1.984 2.336 0.006 10 0 "[ . 1 . 2]" 1
457 1 11 ILE MD 1 27 ALA MB 3.420 . 4.880 2.656 1.933 3.773 0.027 6 0 "[ . 1 . 2]" 1
458 1 3 ILE HB 1 11 ILE MD 3.220 . 4.520 2.626 1.932 3.672 . 0 0 "[ . 1 . 2]" 1
459 1 11 ILE MD 1 28 ALA HA 3.720 . 5.300 4.441 4.010 4.814 . 0 0 "[ . 1 . 2]" 1
460 1 28 ALA HA 1 31 TYR H 3.060 . 4.230 3.681 3.532 3.841 . 0 0 "[ . 1 . 2]" 1
461 1 12 PHE QE 1 28 ALA MB 3.170 . 4.420 2.624 2.010 3.703 . 0 0 "[ . 1 . 2]" 1
462 1 12 PHE HZ 1 28 ALA MB 3.360 . 4.770 3.589 2.563 4.809 0.039 11 0 "[ . 1 . 2]" 1
463 1 11 ILE MG 1 25 THR MG 2.980 . 4.090 4.029 3.575 4.204 0.114 7 0 "[ . 1 . 2]" 1
464 1 7 GLY HA3 1 8 LEU H 3.300 . 4.660 2.612 2.364 2.832 . 0 0 "[ . 1 . 2]" 1
465 1 29 HIS HA 1 29 HIS HB2 3.300 . 4.660 2.387 2.164 2.706 . 0 0 "[ . 1 . 2]" 1
466 1 30 LYS HB3 1 30 LYS HG2 3.610 . 5.240 2.671 2.545 2.959 . 0 0 "[ . 1 . 2]" 1
467 1 2 GLY H 1 30 LYS QD 3.450 . 4.940 4.424 4.038 4.972 0.032 2 0 "[ . 1 . 2]" 1
468 1 15 LYS HA 1 61 TYR QD 3.530 . 5.090 4.853 4.046 5.124 0.034 18 0 "[ . 1 . 2]" 1
469 1 4 ASP HB2 1 8 LEU MD1 3.380 . 4.800 2.954 1.942 4.076 0.018 19 0 "[ . 1 . 2]" 1
470 1 4 ASP HB2 1 32 VAL QG 3.450 . 4.940 2.400 1.867 3.699 0.093 12 0 "[ . 1 . 2]" 1
471 1 32 VAL HA 1 32 VAL QG 3.770 . 5.300 2.292 2.018 2.533 . 0 0 "[ . 1 . 2]" 1
472 1 22 PHE QE 1 32 VAL HB 3.980 . 5.300 4.638 3.241 5.343 0.043 7 0 "[ . 1 . 2]" 1
473 1 22 PHE HZ 1 32 VAL HB 3.950 . 5.300 4.820 3.503 5.395 0.095 8 0 "[ . 1 . 2]" 1
474 1 32 VAL MG1 1 32 VAL MG2 2.590 . 3.430 2.184 2.097 2.270 . 0 0 "[ . 1 . 2]" 1
475 1 3 ILE MG 1 32 VAL QG 2.980 . 4.090 2.633 2.358 2.918 . 0 0 "[ . 1 . 2]" 1
476 1 74 LEU QB 1 74 LEU QD 4.000 . 5.300 1.827 1.787 1.903 0.213 12 0 "[ . 1 . 2]" 1
477 1 5 TYR QE 1 32 VAL QG 3.220 . 4.520 3.750 3.471 4.002 . 0 0 "[ . 1 . 2]" 1
478 1 32 VAL QG 1 38 LEU H 2.980 . 4.090 3.107 2.724 3.595 . 0 0 "[ . 1 . 2]" 1
479 1 32 VAL QG 1 37 PHE H 4.040 . 5.300 3.413 3.109 3.682 . 0 0 "[ . 1 . 2]" 1
480 1 20 HIS H 1 21 ILE MG 3.610 . 5.240 2.760 2.281 3.174 . 0 0 "[ . 1 . 2]" 1
481 1 12 PHE QE 1 16 LEU HB3 3.770 . 5.300 3.682 3.328 4.312 . 0 0 "[ . 1 . 2]" 1
482 1 22 PHE QE 1 32 VAL QG 3.220 . 4.520 2.259 2.100 2.370 . 0 0 "[ . 1 . 2]" 1
483 1 23 PHE HZ 1 32 VAL QG 3.770 . 5.300 5.269 5.231 5.300 . 0 0 "[ . 1 . 2]" 1
484 1 23 PHE QE 1 32 VAL QG 3.300 . 4.660 4.537 4.430 4.605 . 0 0 "[ . 1 . 2]" 1
485 1 3 ILE MD 1 5 TYR QE 3.220 . 4.520 2.164 1.937 2.479 . 0 0 "[ . 1 . 2]" 1
486 1 20 HIS HD2 1 21 ILE MG 3.450 . 4.940 2.017 1.878 2.182 0.082 3 0 "[ . 1 . 2]" 1
487 1 32 VAL QG 1 37 PHE QD 3.560 . 5.140 2.106 1.926 2.298 0.054 9 0 "[ . 1 . 2]" 1
488 1 32 VAL QG 1 37 PHE QE 4.120 . 4.940 2.293 2.127 2.479 . 0 0 "[ . 1 . 2]" 1
489 1 32 VAL QG 1 57 PHE HZ 3.530 . 5.090 3.516 2.926 4.421 . 0 0 "[ . 1 . 2]" 1
490 1 33 PRO HA 1 34 SER H 3.770 . 5.300 3.667 3.600 3.750 . 0 0 "[ . 1 . 2]" 1
491 1 52 LYS HA 1 52 LYS HB2 2.980 . 4.090 2.256 2.120 2.436 . 0 0 "[ . 1 . 2]" 1
492 1 17 PRO HA 1 17 PRO HG3 3.690 . 5.300 4.214 4.074 4.278 . 0 0 "[ . 1 . 2]" 1
493 1 23 PHE QE 1 34 SER HA 4.040 . 5.300 4.262 4.126 4.543 . 0 0 "[ . 1 . 2]" 1
494 1 10 THR HA 1 11 ILE H 3.690 . 5.300 3.585 3.467 3.725 . 0 0 "[ . 1 . 2]" 1
495 1 9 ARG HB2 1 9 ARG QG 3.730 . 5.300 2.370 2.284 2.449 . 0 0 "[ . 1 . 2]" 1
496 1 17 PRO HG2 1 18 GLU H 3.140 . 4.370 1.901 1.798 2.042 0.112 15 0 "[ . 1 . 2]" 1
497 1 2 GLY H 1 2 GLY HA3 4.160 . 5.300 2.221 2.079 2.429 . 0 0 "[ . 1 . 2]" 1
498 1 36 ALA MB 1 37 PHE H 2.900 . 3.950 1.948 1.804 2.089 0.046 15 0 "[ . 1 . 2]" 1
499 1 37 PHE HA 1 37 PHE QB 3.810 . 5.300 2.437 2.393 2.484 . 0 0 "[ . 1 . 2]" 1
500 1 35 TYR HA 1 39 ARG QB 3.610 . 5.240 2.281 2.006 2.397 . 0 0 "[ . 1 . 2]" 1
501 1 33 PRO HG3 1 37 PHE QB 4.240 . 5.300 3.405 2.745 3.999 . 0 0 "[ . 1 . 2]" 1
502 1 37 PHE QB 1 37 PHE QD 3.770 . 5.300 2.240 2.205 2.260 . 0 0 "[ . 1 . 2]" 1
503 1 37 PHE HA 1 37 PHE QD 3.960 . 5.300 3.197 3.045 3.370 . 0 0 "[ . 1 . 2]" 1
504 1 35 TYR HA 1 38 LEU H 3.610 . 5.240 3.068 2.971 3.135 . 0 0 "[ . 1 . 2]" 1
505 1 38 LEU HA 1 38 LEU MD2 4.370 . 5.300 3.431 2.390 4.024 . 0 0 "[ . 1 . 2]" 1
506 1 38 LEU HB3 1 38 LEU MD2 4.020 . 5.300 2.418 2.070 2.850 . 0 0 "[ . 1 . 2]" 1
507 1 23 PHE HZ 1 38 LEU MD2 3.420 . 4.880 5.057 4.964 5.150 0.270 8 0 "[ . 1 . 2]" 1
508 1 38 LEU MD2 1 54 TRP HE3 4.000 . 5.300 5.059 4.445 5.356 0.056 8 0 "[ . 1 . 2]" 1
509 1 38 LEU HA 1 38 LEU MD1 3.420 . 4.880 3.942 3.760 4.074 . 0 0 "[ . 1 . 2]" 1
510 1 54 TRP HD1 1 58 VAL QG 3.340 . 4.730 4.308 3.963 4.453 . 0 0 "[ . 1 . 2]" 1
511 1 3 ILE MG 1 37 PHE QE 3.610 . 5.240 3.560 3.200 4.002 . 0 0 "[ . 1 . 2]" 1
512 1 38 LEU H 1 38 LEU MD1 3.960 . 5.300 3.740 3.698 3.848 . 0 0 "[ . 1 . 2]" 1
513 1 3 ILE MG 1 31 TYR H 3.300 . 4.660 3.767 3.463 4.115 . 0 0 "[ . 1 . 2]" 1
514 1 8 LEU HB3 1 8 LEU MD1 4.320 . 5.300 3.170 2.678 3.360 . 0 0 "[ . 1 . 2]" 1
515 1 49 THR HB 1 51 ARG QB 3.690 . 5.300 4.266 3.433 5.307 0.007 20 0 "[ . 1 . 2]" 1
516 1 39 ARG QB 1 40 ARG H 3.220 . 4.520 2.228 2.124 2.361 . 0 0 "[ . 1 . 2]" 1
517 1 40 ARG QD 1 40 ARG HG2 3.660 . 5.300 2.343 2.183 2.478 . 0 0 "[ . 1 . 2]" 1
518 1 4 ASP HA 1 4 ASP HB2 3.530 . 5.090 2.067 1.821 2.368 0.149 5 0 "[ . 1 . 2]" 1
519 1 42 LEU HA 1 42 LEU QB 4.190 . 5.300 2.440 2.328 2.604 . 0 0 "[ . 1 . 2]" 1
520 1 42 LEU HA 1 42 LEU MD2 3.180 . 4.440 2.369 2.059 3.822 . 0 0 "[ . 1 . 2]" 1
521 1 44 LEU HA 1 44 LEU QD 3.380 . 4.800 2.922 2.041 3.470 . 0 0 "[ . 1 . 2]" 1
522 1 41 GLU HB3 1 42 LEU H 3.490 . 5.020 2.869 2.070 3.296 . 0 0 "[ . 1 . 2]" 1
523 1 44 LEU HB3 1 44 LEU QD 3.420 . 4.880 2.223 2.102 2.563 . 0 0 "[ . 1 . 2]" 1
524 1 44 LEU HB2 1 44 LEU QD 2.900 . 3.950 1.954 1.883 2.007 . 0 0 "[ . 1 . 2]" 1
525 1 44 LEU QD 1 44 LEU HG 3.530 . 5.090 1.935 1.912 1.957 0.068 14 0 "[ . 1 . 2]" 1
526 1 3 ILE HA 1 15 LYS HB2 3.300 . 4.660 2.050 1.889 2.693 0.051 16 0 "[ . 1 . 2]" 1
527 1 37 PHE HA 1 40 ARG HG2 3.450 . 4.940 2.203 1.933 2.774 0.027 12 0 "[ . 1 . 2]" 1
528 1 52 LYS HA 1 52 LYS QD 3.300 . 4.660 2.237 1.934 2.841 0.006 12 0 "[ . 1 . 2]" 1
529 1 55 LYS H 1 55 LYS QD 3.610 . 5.240 3.474 3.406 3.604 . 0 0 "[ . 1 . 2]" 1
530 1 44 LEU QD 1 53 VAL HA 3.390 . 4.830 4.004 2.512 4.555 . 0 0 "[ . 1 . 2]" 1
531 1 46 SER QB 1 53 VAL HB 4.000 . 5.300 2.740 2.021 3.680 . 0 0 "[ . 1 . 2]" 1
532 1 21 ILE MD 1 25 THR MG 2.550 . 3.360 2.951 2.344 3.335 . 0 0 "[ . 1 . 2]" 1
533 1 38 LEU MD2 1 53 VAL MG2 3.640 . 5.290 4.365 3.844 4.864 . 0 0 "[ . 1 . 2]" 1
534 1 38 LEU HB3 1 53 VAL MG2 3.930 . 5.300 4.725 3.213 5.626 0.326 11 0 "[ . 1 . 2]" 1
535 1 38 LEU HB3 1 53 VAL QG 3.930 . 5.300 4.134 3.106 4.823 . 0 0 "[ . 1 . 2]" 1
536 1 35 TYR QD 1 53 VAL MG2 3.530 . 5.090 2.863 2.476 3.278 . 0 0 "[ . 1 . 2]" 1
537 1 53 VAL H 1 53 VAL MG2 3.960 . 5.300 3.946 3.827 4.053 . 0 0 "[ . 1 . 2]" 1
538 1 3 ILE MG 1 32 VAL QG 3.530 . 5.090 2.669 2.376 2.978 . 0 0 "[ . 1 . 2]" 1
539 1 53 VAL MG2 1 57 PHE QB 3.800 . 5.300 3.079 2.544 3.965 . 0 0 "[ . 1 . 2]" 1
540 1 16 LEU HB3 1 29 HIS HB2 3.450 . 4.940 5.066 4.610 5.512 0.572 8 2 "[ - + 1 . 2]" 1
541 1 35 TYR QD 1 53 VAL QG 4.060 . 5.300 2.044 1.947 2.290 0.053 4 0 "[ . 1 . 2]" 1
542 1 54 TRP HE1 1 58 VAL QG 3.770 . 5.300 4.966 4.708 5.105 . 0 0 "[ . 1 . 2]" 1
543 1 54 TRP HA 1 57 PHE QB 3.810 . 5.300 2.065 1.982 2.178 0.018 10 0 "[ . 1 . 2]" 1
544 1 54 TRP HA 1 54 TRP HE3 3.770 . 5.300 2.028 1.985 2.153 0.005 20 0 "[ . 1 . 2]" 1
545 1 5 TYR QE 1 13 GLY HA3 3.140 . 4.370 4.061 3.971 4.135 . 0 0 "[ . 1 . 2]" 1
546 1 5 TYR QE 1 13 GLY HA3 3.450 . 4.940 3.920 3.820 4.016 . 0 0 "[ . 1 . 2]" 1
547 1 54 TRP QB 1 55 LYS H 4.480 . 5.300 3.101 2.881 3.376 . 0 0 "[ . 1 . 2]" 1
548 1 55 LYS HA 1 57 PHE H 3.450 . 4.940 4.486 4.377 4.605 . 0 0 "[ . 1 . 2]" 1
549 1 55 LYS HA 1 55 LYS HB3 2.900 . 3.950 2.668 2.643 2.686 . 0 0 "[ . 1 . 2]" 1
550 1 30 LYS HA 1 30 LYS HB2 2.900 . 3.950 2.398 2.206 2.494 . 0 0 "[ . 1 . 2]" 1
551 1 52 LYS HA 1 55 LYS HB3 3.380 . 4.800 2.124 2.060 2.183 . 0 0 "[ . 1 . 2]" 1
552 1 56 LYS HA 1 56 LYS QB 3.570 . 5.170 2.419 2.317 2.572 . 0 0 "[ . 1 . 2]" 1
553 1 9 ARG HB2 1 13 GLY HA2 3.570 . 5.170 2.360 2.292 2.509 . 0 0 "[ . 1 . 2]" 1
554 1 60 ALA HA 1 63 LYS HG2 4.040 . 5.300 4.676 2.716 5.878 0.578 20 2 "[ -. 1 . +]" 1
555 1 55 LYS HB2 1 55 LYS QG 2.980 . 4.090 1.943 1.899 2.016 . 0 0 "[ . 1 . 2]" 1
556 1 55 LYS HA 1 55 LYS QD 3.260 . 4.590 2.969 2.787 3.027 . 0 0 "[ . 1 . 2]" 1
557 1 17 PRO HG2 1 22 PHE HB3 3.610 . 5.240 3.912 3.373 4.496 . 0 0 "[ . 1 . 2]" 1
558 1 55 LYS HB2 1 56 LYS H 3.380 . 4.800 2.470 2.194 2.635 . 0 0 "[ . 1 . 2]" 1
559 1 57 PHE H 1 57 PHE QB 3.770 . 5.300 2.077 1.983 2.154 0.007 18 0 "[ . 1 . 2]" 1
560 1 57 PHE HA 1 57 PHE QD 3.810 . 5.300 2.494 2.257 2.807 . 0 0 "[ . 1 . 2]" 1
561 1 57 PHE QB 1 57 PHE QD 3.810 . 5.300 2.128 2.074 2.189 . 0 0 "[ . 1 . 2]" 1
562 1 78 LYS H 1 78 LYS HB2 3.060 . 4.230 3.123 2.495 3.845 . 0 0 "[ . 1 . 2]" 1
563 1 16 LEU H 1 58 VAL QG 3.450 . 4.940 3.077 2.810 3.436 . 0 0 "[ . 1 . 2]" 1
564 1 16 LEU QD 1 58 VAL HA 3.580 . 5.180 3.598 3.050 3.890 . 0 0 "[ . 1 . 2]" 1
565 1 8 LEU H 1 8 LEU HB2 3.530 . 5.090 2.380 2.167 2.623 . 0 0 "[ . 1 . 2]" 1
566 1 52 LYS H 1 52 LYS HB3 4.200 . 5.300 3.093 2.411 3.710 . 0 0 "[ . 1 . 2]" 1
567 1 21 ILE QG 1 29 HIS H 3.610 . 5.240 3.474 3.326 3.686 . 0 0 "[ . 1 . 2]" 1
568 1 16 LEU QD 1 58 VAL QG . . 3.830 1.961 1.769 2.105 0.221 17 0 "[ . 1 . 2]" 1
569 1 55 LYS HA 1 58 VAL QG 3.780 . 5.300 2.374 2.027 3.306 . 0 0 "[ . 1 . 2]" 1
570 1 16 LEU HG 1 54 TRP HE1 3.340 . 4.730 4.458 2.231 4.830 0.100 20 0 "[ . 1 . 2]" 1
571 1 49 THR H 1 52 LYS HB2 3.340 . 4.730 2.652 2.408 2.809 . 0 0 "[ . 1 . 2]" 1
572 1 52 LYS HA 1 52 LYS HB2 2.980 . 4.090 2.046 1.950 2.175 . 0 0 "[ . 1 . 2]" 1
573 1 35 TYR HA 1 38 LEU HB3 3.910 . 5.300 4.292 3.745 4.575 . 0 0 "[ . 1 . 2]" 1
574 1 44 LEU QD 1 52 LYS HB2 3.530 . 5.090 4.187 3.930 4.343 . 0 0 "[ . 1 . 2]" 1
575 1 8 LEU H 1 8 LEU HB3 3.530 . 5.090 3.522 3.377 3.622 . 0 0 "[ . 1 . 2]" 1
576 1 60 ALA MB 1 63 LYS QE 3.890 . 5.300 3.398 2.503 4.033 . 0 0 "[ . 1 . 2]" 1
577 1 57 PHE HA 1 60 ALA MB 3.570 . 5.170 2.640 2.496 2.796 . 0 0 "[ . 1 . 2]" 1
578 1 52 LYS HB2 1 52 LYS QG 3.140 . 4.370 2.371 2.143 2.454 . 0 0 "[ . 1 . 2]" 1
579 1 54 TRP H 1 54 TRP QB 3.450 . 4.940 2.269 2.192 2.346 . 0 0 "[ . 1 . 2]" 1
580 1 54 TRP QB 1 58 VAL QG 3.450 . 4.940 2.726 2.392 3.186 . 0 0 "[ . 1 . 2]" 1
581 1 61 TYR HA 1 61 TYR QD 3.770 . 5.300 2.892 2.087 3.217 . 0 0 "[ . 1 . 2]" 1
582 1 61 TYR HB2 1 61 TYR QD 3.950 . 5.300 2.354 2.274 2.573 . 0 0 "[ . 1 . 2]" 1
583 1 1 MET QG 1 31 TYR QE 3.450 . 4.940 2.684 2.102 3.137 . 0 0 "[ . 1 . 2]" 1
584 1 62 GLY HA2 1 63 LYS H 3.980 . 5.300 3.400 3.323 3.545 . 0 0 "[ . 1 . 2]" 1
585 1 63 LYS H 1 63 LYS HB2 3.690 . 5.300 3.500 2.475 3.817 . 0 0 "[ . 1 . 2]" 1
586 1 60 ALA HA 1 63 LYS HB2 3.550 . 5.130 4.683 2.688 5.354 0.224 8 0 "[ . 1 . 2]" 1
587 1 8 LEU MD1 1 28 ALA HA 3.450 . 4.940 2.264 1.927 2.631 0.033 15 0 "[ . 1 . 2]" 1
588 1 63 LYS QE 1 63 LYS HG3 3.860 . 5.300 2.932 2.174 3.484 . 0 0 "[ . 1 . 2]" 1
589 1 8 LEU MD1 1 28 ALA HA 3.380 . 4.800 2.281 1.939 2.703 0.021 15 0 "[ . 1 . 2]" 1
590 1 36 ALA HA 1 36 ALA MB 3.080 . 4.260 2.313 2.268 2.348 . 0 0 "[ . 1 . 2]" 1
591 1 63 LYS H 1 63 LYS HG3 4.120 . 5.300 3.758 2.269 4.599 . 0 0 "[ . 1 . 2]" 1
592 1 17 PRO HG2 1 54 TRP HZ2 3.450 . 4.940 4.262 3.734 4.947 0.007 7 0 "[ . 1 . 2]" 1
593 1 74 LEU QD 1 74 LEU HG 3.100 . 4.300 1.932 1.916 1.942 . 0 0 "[ . 1 . 2]" 1
594 1 18 GLU HB2 1 21 ILE MG 3.180 . 4.440 4.005 2.581 4.558 0.118 8 0 "[ . 1 . 2]" 1
595 1 18 GLU HA 1 18 GLU HB2 3.510 . 5.050 2.376 2.200 2.756 . 0 0 "[ . 1 . 2]" 1
596 1 63 LYS H 1 63 LYS QD 3.850 . 5.300 3.628 2.400 4.608 . 0 0 "[ . 1 . 2]" 1
597 1 16 LEU HA 1 16 LEU QD 3.670 . 5.300 2.663 2.144 3.433 . 0 0 "[ . 1 . 2]" 1
598 1 61 TYR HA 1 64 ALA MB 3.450 . 4.940 4.952 4.863 5.007 0.067 12 0 "[ . 1 . 2]" 1
599 1 6 SER HA 1 65 ILE MD 3.060 . 4.230 2.115 1.971 2.264 . 0 0 "[ . 1 . 2]" 1
600 1 61 TYR HA 1 65 ILE MD 3.450 . 4.940 4.735 4.176 5.051 0.111 8 0 "[ . 1 . 2]" 1
601 1 26 VAL HA 1 30 LYS HG2 3.530 . 5.090 5.034 4.343 5.387 0.297 15 0 "[ . 1 . 2]" 1
602 1 11 ILE HA 1 11 ILE QG 2.710 . 3.630 2.395 2.284 2.572 . 0 0 "[ . 1 . 2]" 1
603 1 42 LEU HA 1 42 LEU MD1 3.530 . 5.090 3.251 2.064 3.566 . 0 0 "[ . 1 . 2]" 1
604 1 61 TYR QE 1 65 ILE MD 4.530 . 5.300 5.008 4.531 5.340 0.040 4 0 "[ . 1 . 2]" 1
605 1 76 LEU HA 1 77 SER H 2.590 . 3.430 2.190 1.976 2.693 . 0 0 "[ . 1 . 2]" 1
606 1 52 LYS HA 1 52 LYS QG 4.000 . 5.300 2.530 2.252 3.086 . 0 0 "[ . 1 . 2]" 1
607 1 52 LYS HE3 1 52 LYS QG 4.000 . 5.300 2.529 2.186 3.116 . 0 0 "[ . 1 . 2]" 1
608 1 78 LYS HE3 1 78 LYS QG 3.530 . 5.090 2.781 2.444 3.597 . 0 0 "[ . 1 . 2]" 1
609 1 21 ILE MD 1 22 PHE H 3.640 . 5.290 2.447 2.214 3.048 . 0 0 "[ . 1 . 2]" 1
610 1 20 HIS HD2 1 21 ILE QG 3.220 . 4.520 4.205 3.497 4.439 . 0 0 "[ . 1 . 2]" 1
611 1 20 HIS HE1 1 21 ILE MD 3.610 . 5.240 4.724 3.993 5.123 . 0 0 "[ . 1 . 2]" 1
612 1 46 SER HA 1 46 SER QB 3.140 . 4.370 2.342 2.179 2.502 . 0 0 "[ . 1 . 2]" 1
613 1 46 SER HA 1 46 SER HB3 2.750 . 3.690 2.478 2.274 2.640 . 0 0 "[ . 1 . 2]" 1
614 1 46 SER HA 1 46 SER HB2 2.830 . 3.830 2.914 2.503 3.132 . 0 0 "[ . 1 . 2]" 1
615 1 22 PHE HA 1 22 PHE QD 4.280 . 5.300 2.434 2.144 2.622 . 0 0 "[ . 1 . 2]" 1
616 1 5 TYR QE 1 16 LEU HG 3.530 . 5.090 4.776 2.954 5.192 0.102 8 0 "[ . 1 . 2]" 1
617 1 8 LEU MD2 1 22 PHE QE 3.730 . 5.300 2.719 2.272 3.147 . 0 0 "[ . 1 . 2]" 1
618 1 11 ILE QG 1 27 ALA H 3.450 . 4.940 4.648 4.293 5.152 0.212 16 0 "[ . 1 . 2]" 1
619 1 52 LYS HB2 1 53 VAL H 3.450 . 4.940 3.368 2.560 4.069 . 0 0 "[ . 1 . 2]" 1
620 1 52 LYS H 1 52 LYS HB2 3.250 . 4.570 2.525 2.241 2.617 . 0 0 "[ . 1 . 2]" 1
621 1 59 GLU H 1 59 GLU HG3 3.610 . 5.240 4.404 2.720 4.574 . 0 0 "[ . 1 . 2]" 1
622 1 39 ARG QB 1 40 ARG H 3.140 . 4.370 2.675 2.401 3.009 . 0 0 "[ . 1 . 2]" 1
623 1 12 PHE QE 1 17 PRO HG2 3.380 . 4.800 3.817 3.526 4.290 . 0 0 "[ . 1 . 2]" 1
624 1 11 ILE H 1 11 ILE QG 3.300 . 4.660 3.245 2.254 3.728 . 0 0 "[ . 1 . 2]" 1
625 1 39 ARG H 1 39 ARG QG 3.530 . 5.090 3.764 2.399 4.057 . 0 0 "[ . 1 . 2]" 1
626 1 52 LYS H 1 52 LYS QG 3.530 . 5.090 3.320 2.308 4.123 . 0 0 "[ . 1 . 2]" 1
627 1 42 LEU QB 1 43 GLY H 3.300 . 4.660 3.164 2.492 3.470 . 0 0 "[ . 1 . 2]" 1
628 1 8 LEU H 1 8 LEU HB2 3.300 . 4.660 2.561 2.387 2.816 . 0 0 "[ . 1 . 2]" 1
629 1 15 LYS HB3 1 54 TRP HD1 3.450 . 4.940 4.853 4.456 5.002 0.062 17 0 "[ . 1 . 2]" 1
630 1 15 LYS HB2 1 37 PHE QD 3.530 . 5.090 4.143 3.735 4.697 . 0 0 "[ . 1 . 2]" 1
631 1 8 LEU MD2 1 61 TYR QE 4.040 . 5.300 3.905 2.863 4.815 . 0 0 "[ . 1 . 2]" 1
632 1 38 LEU HB2 1 57 PHE HZ 3.060 . 4.230 3.413 2.304 5.092 0.862 18 1 "[ . 1 . + 2]" 1
633 1 32 VAL QG 1 57 PHE QE 3.530 . 5.090 3.069 2.124 3.532 . 0 0 "[ . 1 . 2]" 1
634 1 12 PHE QE 1 21 ILE MG 3.300 . 4.660 2.702 1.969 3.464 . 0 0 "[ . 1 . 2]" 1
635 1 16 LEU HB3 1 54 TRP HZ2 4.440 . 5.300 3.213 2.299 5.152 . 0 0 "[ . 1 . 2]" 1
636 1 16 LEU HB2 1 54 TRP HZ2 3.530 . 5.090 3.800 2.423 4.454 . 0 0 "[ . 1 . 2]" 1
637 1 18 GLU HB2 1 20 HIS HE1 3.380 . 4.800 3.572 1.958 4.923 0.123 9 0 "[ . 1 . 2]" 1
638 1 35 TYR QD 1 38 LEU MD2 3.450 . 4.940 4.136 3.691 4.731 . 0 0 "[ . 1 . 2]" 1
639 1 5 TYR QE 1 38 LEU MD2 3.530 . 5.090 5.166 5.107 5.235 0.145 15 0 "[ . 1 . 2]" 1
640 1 11 ILE MG 1 12 PHE QD 3.820 . 5.300 2.878 2.381 3.370 . 0 0 "[ . 1 . 2]" 1
641 1 55 LYS H 1 55 LYS HB2 3.530 . 5.090 2.771 2.661 2.872 . 0 0 "[ . 1 . 2]" 1
642 1 18 GLU H 1 18 GLU HB3 4.000 . 5.300 3.370 2.274 3.623 . 0 0 "[ . 1 . 2]" 1
643 1 19 SER QB 1 22 PHE H 3.450 . 4.940 4.565 4.439 4.653 . 0 0 "[ . 1 . 2]" 1
644 1 18 GLU QG 1 20 HIS HE1 3.530 . 5.090 4.117 2.414 5.009 . 0 0 "[ . 1 . 2]" 1
645 1 5 TYR QD 1 61 TYR HA 3.930 . 5.300 3.294 3.169 3.454 . 0 0 "[ . 1 . 2]" 1
646 1 8 LEU H 1 8 LEU HA 3.060 . 4.230 2.544 2.521 2.556 . 0 0 "[ . 1 . 2]" 1
647 1 18 GLU H 1 18 GLU HA 3.530 . 5.090 2.673 2.427 2.779 . 0 0 "[ . 1 . 2]" 1
648 1 10 THR H 1 10 THR HB 3.850 . 5.300 2.393 2.067 2.590 . 0 0 "[ . 1 . 2]" 1
649 1 28 ALA H 1 28 ALA HA 3.300 . 4.660 2.588 2.571 2.607 . 0 0 "[ . 1 . 2]" 1
650 1 2 GLY HA2 1 37 PHE QE 3.300 . 4.660 4.147 3.917 4.333 . 0 0 "[ . 1 . 2]" 1
651 1 29 HIS HA 1 29 HIS HD2 3.220 . 4.520 2.522 2.301 2.822 . 0 0 "[ . 1 . 2]" 1
652 1 18 GLU HA 1 50 ASN HD22 3.060 . 4.230 3.824 3.453 4.253 0.023 1 0 "[ . 1 . 2]" 1
653 1 35 TYR HA 1 35 TYR QD 4.370 . 5.300 3.029 2.668 3.299 . 0 0 "[ . 1 . 2]" 1
654 1 28 ALA HA 1 31 TYR QE 4.240 . 5.300 5.096 4.329 5.550 0.250 13 0 "[ . 1 . 2]" 1
655 1 32 VAL H 1 32 VAL HA 3.060 . 4.230 2.360 2.337 2.397 . 0 0 "[ . 1 . 2]" 1
656 1 13 GLY H 1 13 GLY HA2 3.300 . 4.660 2.151 2.096 2.265 . 0 0 "[ . 1 . 2]" 1
657 1 54 TRP HA 1 57 PHE H 3.220 . 4.520 2.554 2.495 2.603 . 0 0 "[ . 1 . 2]" 1
658 1 25 THR HB 1 27 ALA H 3.300 . 4.660 3.765 3.255 4.364 . 0 0 "[ . 1 . 2]" 1
659 1 12 PHE HZ 1 25 THR HB 4.200 . 5.300 4.188 3.285 4.978 . 0 0 "[ . 1 . 2]" 1
660 1 22 PHE QD 1 23 PHE QD 3.610 . 5.240 4.464 4.288 4.745 . 0 0 "[ . 1 . 2]" 1
661 1 5 TYR QE 1 57 PHE QE 3.420 . 4.880 3.094 2.621 3.444 . 0 0 "[ . 1 . 2]" 1
662 1 35 TYR QE 1 54 TRP HE3 3.220 . 4.520 3.333 3.198 3.550 . 0 0 "[ . 1 . 2]" 1
663 1 12 PHE QD 1 12 PHE HZ 4.280 . 5.300 3.483 3.233 3.709 . 0 0 "[ . 1 . 2]" 1
664 1 23 PHE HB3 1 23 PHE QD 3.300 . 4.660 2.260 2.084 2.503 . 0 0 "[ . 1 . 2]" 1
665 1 28 ALA HA 1 31 TYR H 3.180 . 4.440 3.213 3.067 3.353 . 0 0 "[ . 1 . 2]" 1
666 1 5 TYR HA 1 5 TYR QD 3.060 . 4.230 2.386 2.238 2.490 . 0 0 "[ . 1 . 2]" 1
667 1 5 TYR QB 1 31 TYR QE 3.610 . 5.240 2.127 1.959 2.464 0.021 4 0 "[ . 1 . 2]" 1
668 1 16 LEU HA 1 17 PRO HD3 3.900 . 5.300 2.506 2.068 2.912 . 0 0 "[ . 1 . 2]" 1
669 1 73 PRO HB2 1 73 PRO HD3 3.510 . 5.050 3.947 3.714 4.089 . 0 0 "[ . 1 . 2]" 1
670 1 15 LYS HB3 1 15 LYS HE3 2.750 . 3.690 2.292 2.075 2.436 . 0 0 "[ . 1 . 2]" 1
671 1 60 ALA HA 1 60 ALA MB 2.980 . 4.090 2.212 2.184 2.260 . 0 0 "[ . 1 . 2]" 1
672 1 16 LEU QD 1 16 LEU HG 3.000 . 4.130 1.932 1.893 1.957 0.017 17 0 "[ . 1 . 2]" 1
673 1 16 LEU MD1 1 16 LEU MD2 3.200 . 4.480 2.084 2.025 2.170 . 0 0 "[ . 1 . 2]" 1
674 1 16 LEU HG 1 38 LEU MD2 2.900 . 3.950 2.036 1.947 2.124 . 0 0 "[ . 1 . 2]" 1
675 1 38 LEU MD1 1 42 LEU MD1 3.530 . 5.090 3.818 2.943 4.999 . 0 0 "[ . 1 . 2]" 1
676 1 3 ILE MD 1 3 ILE QG 3.250 . 4.570 1.933 1.871 1.948 0.059 6 0 "[ . 1 . 2]" 1
677 1 38 LEU MD1 1 38 LEU HG 3.890 . 5.300 2.186 2.161 2.214 . 0 0 "[ . 1 . 2]" 1
678 1 3 ILE HB 1 3 ILE MG 3.220 . 4.520 1.884 1.778 1.978 0.142 17 0 "[ . 1 . 2]" 1
679 1 3 ILE HB 1 3 ILE MG 2.900 . 3.950 1.930 1.872 2.017 . 0 0 "[ . 1 . 2]" 1
680 1 3 ILE QG 1 3 ILE MG 3.610 . 5.240 1.941 1.820 2.015 0.160 6 0 "[ . 1 . 2]" 1
681 1 3 ILE QG 1 3 ILE MG 2.830 . 3.830 1.941 1.820 2.015 0.010 6 0 "[ . 1 . 2]" 1
682 1 11 ILE MD 1 11 ILE MG 3.090 . 4.280 2.961 2.195 3.269 . 0 0 "[ . 1 . 2]" 1
683 1 58 VAL MG1 1 58 VAL MG2 2.590 . 3.430 2.138 2.034 2.227 . 0 0 "[ . 1 . 2]" 1
684 1 44 LEU MD1 1 44 LEU MD2 3.100 . 4.300 2.106 2.043 2.169 . 0 0 "[ . 1 . 2]" 1
685 1 58 VAL HB 1 58 VAL QG 3.450 . 4.800 1.911 1.892 1.934 0.068 2 0 "[ . 1 . 2]" 1
686 1 21 ILE HB 1 21 ILE MG 3.590 . 5.200 2.188 2.124 2.229 . 0 0 "[ . 1 . 2]" 1
687 1 26 VAL QG 1 30 LYS QD 3.220 . 4.520 3.655 3.411 4.102 . 0 0 "[ . 1 . 2]" 1
688 1 53 VAL HB 1 53 VAL MG2 3.530 . 5.090 2.181 2.150 2.204 . 0 0 "[ . 1 . 2]" 1
689 1 3 ILE MD 1 3 ILE MG 2.930 . 4.000 2.103 1.930 3.229 . 0 0 "[ . 1 . 2]" 1
690 1 3 ILE HB 1 3 ILE QG 3.380 . 4.800 2.216 2.034 2.379 . 0 0 "[ . 1 . 2]" 1
691 1 11 ILE HB 1 11 ILE MG 3.380 . 4.800 2.177 2.118 2.205 . 0 0 "[ . 1 . 2]" 1
692 1 11 ILE HB 1 11 ILE MD 3.560 . 5.140 2.514 2.300 2.707 . 0 0 "[ . 1 . 2]" 1
693 1 11 ILE MD 1 11 ILE QG 3.100 . 4.300 1.921 1.865 1.941 0.035 15 0 "[ . 1 . 2]" 1
694 1 38 LEU MD2 1 38 LEU HG 3.870 . 5.300 2.083 1.979 2.131 0.021 10 0 "[ . 1 . 2]" 1
695 1 42 LEU QB 1 44 LEU QD 3.450 . 4.940 2.116 1.799 3.003 0.161 4 0 "[ . 1 . 2]" 1
696 1 21 ILE HB 1 21 ILE QG 2.980 . 4.090 1.836 1.750 1.870 0.120 11 0 "[ . 1 . 2]" 1
697 1 17 PRO HB3 1 17 PRO HG2 3.300 . 4.660 2.005 1.969 2.087 . 0 0 "[ . 1 . 2]" 1
698 1 8 LEU MD1 1 16 LEU HB3 3.060 . 4.230 3.196 2.677 3.479 . 0 0 "[ . 1 . 2]" 1
699 1 26 VAL HB 1 26 VAL QG 3.200 . 4.480 1.945 1.917 1.957 0.023 2 0 "[ . 1 . 2]" 1
700 1 32 VAL QG 1 33 PRO HB2 3.220 . 4.520 4.529 4.461 4.595 0.075 8 0 "[ . 1 . 2]" 1
701 1 8 LEU MD2 1 17 PRO HG3 3.450 . 4.940 4.005 2.862 4.972 0.032 1 0 "[ . 1 . 2]" 1
702 1 32 VAL HB 1 32 VAL QG 3.560 . 4.990 1.884 1.846 1.919 0.134 8 0 "[ . 1 . 2]" 1
703 1 53 VAL HB 1 53 VAL QG 3.330 . 4.720 1.927 1.902 1.947 0.038 14 0 "[ . 1 . 2]" 1
704 1 58 VAL HA 1 58 VAL QG 3.380 . 4.610 1.899 1.879 1.914 0.081 2 0 "[ . 1 . 2]" 1
705 1 16 LEU QD 1 17 PRO HD3 3.810 . 5.300 4.075 3.388 4.865 . 0 0 "[ . 1 . 2]" 1
706 1 26 VAL HA 1 26 VAL QG 3.480 . 4.900 2.158 2.057 2.553 . 0 0 "[ . 1 . 2]" 1
707 1 63 LYS QD 1 63 LYS QE 3.820 . 5.300 2.089 1.946 2.182 0.054 17 0 "[ . 1 . 2]" 1
708 1 55 LYS QD 1 55 LYS HE3 3.140 . 4.370 2.190 2.143 2.213 . 0 0 "[ . 1 . 2]" 1
709 1 15 LYS HB2 1 15 LYS HE3 3.060 . 4.230 2.216 2.036 2.410 . 0 0 "[ . 1 . 2]" 1
710 1 39 ARG QB 1 40 ARG QD 3.530 . 5.090 2.247 2.071 2.536 . 0 0 "[ . 1 . 2]" 1
711 1 51 ARG HD2 1 51 ARG QG 3.610 . 5.240 2.398 2.202 2.490 . 0 0 "[ . 1 . 2]" 1
712 1 16 LEU HB3 1 17 PRO HD2 3.260 . 4.590 2.901 2.210 3.972 . 0 0 "[ . 1 . 2]" 1
713 1 11 ILE HA 1 11 ILE MG 3.320 . 4.700 2.460 2.332 2.668 . 0 0 "[ . 1 . 2]" 1
714 1 11 ILE HA 1 11 ILE MD 3.850 . 5.300 3.549 3.057 4.018 . 0 0 "[ . 1 . 2]" 1
715 1 21 ILE HA 1 21 ILE MG 3.270 . 4.610 2.704 2.350 3.249 . 0 0 "[ . 1 . 2]" 1
716 1 60 ALA HA 1 60 ALA MB 2.930 . 4.000 2.180 2.087 2.219 . 0 0 "[ . 1 . 2]" 1
717 1 59 GLU HA 1 59 GLU QB 3.200 . 4.480 2.406 2.378 2.468 . 0 0 "[ . 1 . 2]" 1
718 1 8 LEU HA 1 8 LEU HB3 3.320 . 4.700 2.299 2.128 2.446 . 0 0 "[ . 1 . 2]" 1
719 1 32 VAL HA 1 33 PRO HD2 3.580 . 5.180 2.536 2.357 2.682 . 0 0 "[ . 1 . 2]" 1
720 1 14 GLU HA 1 14 GLU HB2 3.730 . 5.300 2.229 2.166 2.380 . 0 0 "[ . 1 . 2]" 1
721 1 40 ARG HA 1 40 ARG QB 3.300 . 4.660 2.366 2.041 2.480 . 0 0 "[ . 1 . 2]" 1
722 1 10 THR HA 1 10 THR MG 3.560 . 5.140 3.219 3.126 3.261 . 0 0 "[ . 1 . 2]" 1
723 1 65 ILE HA 1 65 ILE MD 3.380 . 4.800 2.119 1.975 2.271 . 0 0 "[ . 1 . 2]" 1
724 1 64 ALA HA 1 64 ALA MB 3.020 . 4.160 2.159 2.140 2.174 . 0 0 "[ . 1 . 2]" 1
725 1 16 LEU HG 1 34 SER HB3 3.450 . 4.940 4.906 4.316 5.073 0.133 12 0 "[ . 1 . 2]" 1
726 1 32 VAL QG 1 34 SER HB3 3.450 . 4.940 4.206 2.225 4.935 . 0 0 "[ . 1 . 2]" 1
727 1 32 VAL HA 1 32 VAL QG 3.640 . 4.800 2.460 2.116 2.701 . 0 0 "[ . 1 . 2]" 1
728 1 28 ALA HA 1 28 ALA MB 3.320 . 4.700 2.189 2.115 2.263 . 0 0 "[ . 1 . 2]" 1
729 1 25 THR HA 1 25 THR MG 3.430 . 4.900 2.466 2.331 3.267 . 0 0 "[ . 1 . 2]" 1
730 1 10 THR HB 1 10 THR MG 3.320 . 4.700 2.192 2.163 2.227 . 0 0 "[ . 1 . 2]" 1
731 1 73 PRO HA 1 73 PRO HG2 3.770 . 5.300 3.892 3.774 3.994 . 0 0 "[ . 1 . 2]" 1
732 1 24 ALA HA 1 24 ALA MB 3.250 . 4.570 2.125 2.111 2.138 . 0 0 "[ . 1 . 2]" 1
733 1 49 THR HB 1 49 THR MG 3.640 . 5.290 2.189 2.157 2.215 . 0 0 "[ . 1 . 2]" 1
734 1 25 THR HB 1 25 THR MG 3.380 . 4.800 2.195 2.170 2.210 . 0 0 "[ . 1 . 2]" 1
735 1 16 LEU QD 1 22 PHE QD 3.660 . 5.300 3.673 2.825 4.018 . 0 0 "[ . 1 . 2]" 1
736 1 22 PHE HB2 1 22 PHE QD 3.850 . 5.300 2.610 2.502 2.709 . 0 0 "[ . 1 . 2]" 1
737 1 16 LEU HG 1 57 PHE QE 3.380 . 4.800 2.891 2.664 3.211 . 0 0 "[ . 1 . 2]" 1
738 1 16 LEU QD 1 61 TYR QD 3.610 . 5.240 2.566 2.209 3.046 . 0 0 "[ . 1 . 2]" 1
739 1 16 LEU QD 1 22 PHE QE 5.300 . 5.300 2.712 2.068 3.714 . 0 0 "[ . 1 . 2]" 1
740 1 3 ILE MG 1 5 TYR QE 3.610 . 5.240 2.631 2.063 3.017 . 0 0 "[ . 1 . 2]" 1
741 1 16 LEU QD 1 61 TYR QE 4.140 . 5.300 2.321 2.101 2.727 . 0 0 "[ . 1 . 2]" 1
742 1 8 LEU MD1 1 22 PHE QE 3.790 . 5.300 3.509 3.032 3.859 . 0 0 "[ . 1 . 2]" 1
743 1 8 LEU MD1 1 22 PHE HZ 3.450 . 4.940 3.395 2.223 4.249 . 0 0 "[ . 1 . 2]" 1
744 1 15 LYS QG 1 54 TRP HD1 2.900 . 3.950 3.182 2.446 3.979 0.029 8 0 "[ . 1 . 2]" 1
745 1 17 PRO HG3 1 18 GLU H 4.120 . 5.300 4.372 3.996 4.700 . 0 0 "[ . 1 . 2]" 1
746 1 33 PRO HD3 1 34 SER H 3.770 . 5.300 4.272 4.167 4.375 . 0 0 "[ . 1 . 2]" 1
747 1 35 TYR HB3 1 35 TYR QD 3.690 . 5.300 2.447 2.342 2.523 . 0 0 "[ . 1 . 2]" 1
748 1 35 TYR HB2 1 35 TYR QD 3.590 . 5.200 2.330 2.230 2.391 . 0 0 "[ . 1 . 2]" 1
749 1 11 ILE H 1 12 PHE QD 3.060 . 4.230 3.592 3.517 3.644 . 0 0 "[ . 1 . 2]" 1
750 1 61 TYR HB3 1 61 TYR QD 3.780 . 5.300 2.334 2.265 2.381 . 0 0 "[ . 1 . 2]" 1
751 1 16 LEU QD 1 57 PHE QD 3.770 . 5.300 1.938 1.821 2.222 0.169 5 0 "[ . 1 . 2]" 1
752 1 16 LEU HG 1 57 PHE QD 3.770 . 5.300 3.016 2.095 3.326 . 0 0 "[ . 1 . 2]" 1
753 1 22 PHE HB3 1 22 PHE QD 3.930 . 5.300 2.692 2.318 2.902 . 0 0 "[ . 1 . 2]" 1
754 1 38 LEU MD2 1 54 TRP HZ3 3.730 . 5.300 3.150 2.442 3.770 . 0 0 "[ . 1 . 2]" 1
755 1 9 ARG HA 1 13 GLY H 3.660 . 5.300 2.547 2.378 2.908 . 0 0 "[ . 1 . 2]" 1
756 1 42 LEU HA 1 43 GLY H 4.180 . 5.300 3.439 3.311 3.517 . 0 0 "[ . 1 . 2]" 1
757 1 42 LEU H 1 43 GLY H 3.030 . 4.180 2.366 2.112 2.600 . 0 0 "[ . 1 . 2]" 1
758 1 42 LEU H 1 43 GLY H 3.200 . 4.480 2.567 2.250 2.797 . 0 0 "[ . 1 . 2]" 1
759 1 42 LEU QB 1 43 GLY H 3.280 . 4.620 3.310 3.226 3.568 . 0 0 "[ . 1 . 2]" 1
760 1 22 PHE QD 1 23 PHE H 3.530 . 5.080 4.398 4.268 4.617 . 0 0 "[ . 1 . 2]" 1
761 1 7 GLY H 1 8 LEU H 3.320 . 4.700 2.827 2.573 3.041 . 0 0 "[ . 1 . 2]" 1
762 1 6 SER QB 1 7 GLY H 3.160 . 4.410 3.145 2.658 4.238 . 0 0 "[ . 1 . 2]" 1
763 1 14 GLU HA 1 15 LYS H 3.360 . 4.770 3.605 3.529 3.671 . 0 0 "[ . 1 . 2]" 1
764 1 5 TYR H 1 5 TYR QD 3.770 . 5.300 2.890 2.525 3.152 . 0 0 "[ . 1 . 2]" 1
765 1 8 LEU H 1 9 ARG H 3.360 . 4.770 2.529 2.429 2.640 . 0 0 "[ . 1 . 2]" 1
766 1 43 GLY H 1 44 LEU H 3.200 . 4.480 2.807 2.407 3.092 . 0 0 "[ . 1 . 2]" 1
767 1 14 GLU H 1 15 LYS H 3.610 . 5.240 3.033 2.844 3.393 . 0 0 "[ . 1 . 2]" 1
768 1 40 ARG H 1 41 GLU H 3.420 . 4.890 2.673 2.590 2.808 . 0 0 "[ . 1 . 2]" 1
769 1 12 PHE H 1 13 GLY H 3.460 . 4.960 2.093 1.959 2.204 0.001 5 0 "[ . 1 . 2]" 1
770 1 60 ALA H 1 61 TYR H 3.510 . 5.050 2.710 2.643 2.791 . 0 0 "[ . 1 . 2]" 1
771 1 31 TYR H 1 32 VAL H 3.050 . 4.220 2.685 2.167 3.358 . 0 0 "[ . 1 . 2]" 1
772 1 5 TYR H 1 6 SER H 3.440 . 4.920 2.570 2.092 2.793 . 0 0 "[ . 1 . 2]" 1
773 1 23 PHE H 1 24 ALA H 3.260 . 4.590 2.779 2.655 2.892 . 0 0 "[ . 1 . 2]" 1
774 1 56 LYS H 1 57 PHE H 3.380 . 4.810 2.538 2.429 2.644 . 0 0 "[ . 1 . 2]" 1
775 1 60 ALA MB 1 61 TYR H 3.690 . 5.300 2.280 2.119 2.493 . 0 0 "[ . 1 . 2]" 1
776 1 40 ARG QB 1 41 GLU H 3.720 . 5.300 3.036 2.643 3.906 . 0 0 "[ . 1 . 2]" 1
777 1 12 PHE HB3 1 13 GLY H 4.590 . 5.300 4.258 4.108 4.433 . 0 0 "[ . 1 . 2]" 1
778 1 33 PRO HD2 1 34 SER H 3.690 . 5.300 3.084 2.820 3.373 . 0 0 "[ . 1 . 2]" 1
779 1 32 VAL QG 1 34 SER H 3.360 . 4.770 2.158 1.999 2.331 . 0 0 "[ . 1 . 2]" 1
780 1 60 ALA HA 1 61 TYR H 4.470 . 5.300 3.493 3.428 3.554 . 0 0 "[ . 1 . 2]" 1
781 1 24 ALA H 1 25 THR H 3.050 . 4.220 2.429 2.314 2.484 . 0 0 "[ . 1 . 2]" 1
782 1 23 PHE H 1 25 THR H 4.100 . 5.300 4.665 4.539 4.786 . 0 0 "[ . 1 . 2]" 1
783 1 23 PHE HA 1 24 ALA H 3.610 . 5.240 3.603 3.539 3.718 . 0 0 "[ . 1 . 2]" 1
784 1 22 PHE H 1 22 PHE QD 3.940 . 5.300 4.287 4.078 4.405 . 0 0 "[ . 1 . 2]" 1
785 1 43 GLY QA 1 44 LEU H 3.660 . 5.300 2.849 2.692 2.967 . 0 0 "[ . 1 . 2]" 1
786 1 11 ILE MD 1 28 ALA H 4.130 . 5.300 4.755 4.307 5.097 . 0 0 "[ . 1 . 2]" 1
787 1 63 LYS HB3 1 64 ALA H 3.030 . 4.180 3.775 2.269 4.430 0.250 7 0 "[ . 1 . 2]" 1
788 1 60 ALA HA 1 63 LYS H 3.440 . 4.920 3.219 3.095 3.296 . 0 0 "[ . 1 . 2]" 1
789 1 59 GLU H 1 60 ALA H 3.340 . 4.740 2.775 2.696 2.872 . 0 0 "[ . 1 . 2]" 1
790 1 61 TYR H 1 62 GLY H 3.360 . 4.770 3.069 2.968 3.255 . 0 0 "[ . 1 . 2]" 1
791 1 25 THR HA 1 26 VAL H 3.870 . 5.300 2.271 2.158 2.381 . 0 0 "[ . 1 . 2]" 1
792 1 26 VAL H 1 26 VAL QG 4.060 . 5.300 1.961 1.913 2.080 0.087 15 0 "[ . 1 . 2]" 1
793 1 3 ILE HA 1 4 ASP H 3.690 . 5.300 2.367 2.242 2.514 . 0 0 "[ . 1 . 2]" 1
794 1 57 PHE HA 1 60 ALA H 3.770 . 5.300 3.210 3.113 3.321 . 0 0 "[ . 1 . 2]" 1
795 1 58 VAL HA 1 60 ALA H 3.850 . 5.300 3.899 3.828 4.016 . 0 0 "[ . 1 . 2]" 1
796 1 59 GLU QB 1 60 ALA H 2.790 . 3.760 2.747 2.612 2.844 . 0 0 "[ . 1 . 2]" 1
797 1 4 ASP HA 1 5 TYR H 3.120 . 4.330 2.488 2.319 2.764 . 0 0 "[ . 1 . 2]" 1
798 1 3 ILE MG 1 5 TYR H 3.610 . 5.240 3.636 3.270 4.084 . 0 0 "[ . 1 . 2]" 1
799 1 15 LYS HA 1 16 LEU H 3.170 . 4.430 2.634 2.263 3.133 . 0 0 "[ . 1 . 2]" 1
800 1 16 LEU H 1 16 LEU HG 3.120 . 4.330 3.049 2.253 4.337 0.007 2 0 "[ . 1 . 2]" 1
801 1 15 LYS H 1 16 LEU H 3.900 . 5.300 4.245 3.978 4.511 . 0 0 "[ . 1 . 2]" 1
802 1 13 GLY HA3 1 14 GLU H 3.360 . 4.770 2.260 2.099 2.547 . 0 0 "[ . 1 . 2]" 1
803 1 13 GLY H 1 14 GLU H 3.690 . 5.300 4.201 3.735 4.567 . 0 0 "[ . 1 . 2]" 1
804 1 12 PHE H 1 13 GLY HA3 3.850 . 5.300 4.813 4.651 4.928 . 0 0 "[ . 1 . 2]" 1
805 1 28 ALA HA 1 31 TYR H 3.610 . 5.240 3.435 3.226 3.658 . 0 0 "[ . 1 . 2]" 1
806 1 19 SER H 1 20 HIS H 3.940 . 5.300 3.133 2.944 3.473 . 0 0 "[ . 1 . 2]" 1
807 1 36 ALA MB 1 37 PHE H 3.530 . 5.080 2.372 2.225 2.603 . 0 0 "[ . 1 . 2]" 1
808 1 61 TYR HB2 1 62 GLY H 3.830 . 5.300 4.053 3.791 4.239 . 0 0 "[ . 1 . 2]" 1
809 1 61 TYR HB3 1 62 GLY H 3.530 . 5.080 3.232 3.008 3.500 . 0 0 "[ . 1 . 2]" 1
810 1 60 ALA MB 1 62 GLY H 3.690 . 5.300 4.018 3.794 4.189 . 0 0 "[ . 1 . 2]" 1
811 1 58 VAL QG 1 62 GLY H 3.850 . 5.300 5.173 4.997 5.239 . 0 0 "[ . 1 . 2]" 1
812 1 33 PRO HG3 1 34 SER H 3.120 . 4.330 4.053 3.706 4.189 . 0 0 "[ . 1 . 2]" 1
813 1 34 SER H 1 37 PHE QB 3.200 . 4.480 2.531 2.304 2.788 . 0 0 "[ . 1 . 2]" 1
814 1 34 SER H 1 37 PHE H 3.940 . 5.300 3.279 3.037 3.412 . 0 0 "[ . 1 . 2]" 1
815 1 63 LYS H 1 64 ALA H 3.240 . 4.550 2.685 2.483 3.057 . 0 0 "[ . 1 . 2]" 1
816 1 62 GLY H 1 63 LYS H 3.540 . 5.110 2.664 2.541 2.765 . 0 0 "[ . 1 . 2]" 1
817 1 4 ASP H 1 32 VAL QG 3.850 . 5.300 1.987 1.817 2.261 0.173 4 0 "[ . 1 . 2]" 1
818 1 3 ILE MG 1 4 ASP H 3.530 . 5.080 2.303 2.035 2.698 . 0 0 "[ . 1 . 2]" 1
819 1 21 ILE H 1 22 PHE H 3.260 . 4.590 2.546 2.423 2.729 . 0 0 "[ . 1 . 2]" 1
820 1 21 ILE HB 1 22 PHE H 3.850 . 5.300 4.253 3.883 4.539 . 0 0 "[ . 1 . 2]" 1
821 1 21 ILE MG 1 22 PHE H 3.360 . 4.770 3.661 2.750 4.279 . 0 0 "[ . 1 . 2]" 1
822 1 20 HIS HB3 1 21 ILE H 3.610 . 5.240 4.064 3.745 4.130 . 0 0 "[ . 1 . 2]" 1
823 1 17 PRO HB2 1 21 ILE H 3.530 . 5.080 4.462 3.843 5.012 . 0 0 "[ . 1 . 2]" 1
824 1 42 LEU MD1 1 57 PHE H 4.390 . 5.300 4.402 2.918 5.371 0.071 1 0 "[ . 1 . 2]" 1
825 1 55 LYS HB3 1 57 PHE H 3.280 . 4.620 4.775 4.754 4.797 0.177 8 0 "[ . 1 . 2]" 1
826 1 21 ILE HA 1 24 ALA H 3.530 . 5.080 3.504 3.461 3.529 . 0 0 "[ . 1 . 2]" 1
827 1 19 SER HA 1 24 ALA H 4.630 . 5.300 5.113 4.801 5.306 0.006 20 0 "[ . 1 . 2]" 1
828 1 5 TYR HA 1 9 ARG H 3.030 . 4.180 2.887 2.542 3.009 . 0 0 "[ . 1 . 2]" 1
829 1 8 LEU H 1 9 ARG QG 3.030 . 4.180 3.809 3.662 4.019 . 0 0 "[ . 1 . 2]" 1
830 1 7 GLY HA3 1 8 LEU H 3.690 . 5.300 2.960 2.853 3.125 . 0 0 "[ . 1 . 2]" 1
831 1 37 PHE H 1 37 PHE QB 3.530 . 5.080 2.252 2.167 2.392 . 0 0 "[ . 1 . 2]" 1
832 1 4 ASP HB2 1 32 VAL H 3.690 . 5.300 1.949 1.574 2.303 0.416 11 0 "[ . 1 . 2]" 1
833 1 30 LYS QD 1 31 TYR H 3.440 . 4.920 4.357 3.081 4.598 . 0 0 "[ . 1 . 2]" 1
834 1 22 PHE QE 1 31 TYR H 4.020 . 5.300 4.687 4.342 5.032 . 0 0 "[ . 1 . 2]" 1
835 1 53 VAL H 1 53 VAL MG1 3.320 . 4.700 2.356 2.072 2.643 . 0 0 "[ . 1 . 2]" 1
836 1 61 TYR H 1 61 TYR HB3 3.660 . 5.300 2.759 2.573 3.336 . 0 0 "[ . 1 . 2]" 1
837 1 61 TYR H 1 61 TYR HB2 3.660 . 5.300 2.010 1.924 2.147 0.056 4 0 "[ . 1 . 2]" 1
838 1 54 TRP HA 1 58 VAL H 3.440 . 4.920 3.056 2.880 3.187 . 0 0 "[ . 1 . 2]" 1
839 1 55 LYS HA 1 58 VAL H 3.530 . 5.080 3.284 3.044 3.529 . 0 0 "[ . 1 . 2]" 1
840 1 58 VAL H 1 58 VAL HB 3.640 . 5.290 3.528 2.265 3.821 . 0 0 "[ . 1 . 2]" 1
841 1 58 VAL H 1 58 VAL QG 3.440 . 4.090 2.512 2.247 3.025 . 0 0 "[ . 1 . 2]" 1
842 1 32 VAL QG 1 41 GLU H 3.610 . 5.240 4.921 4.582 5.125 . 0 0 "[ . 1 . 2]" 1
843 1 39 ARG H 1 39 ARG QB 3.580 . 5.180 2.238 2.072 2.343 . 0 0 "[ . 1 . 2]" 1
844 1 39 ARG H 1 40 ARG H 3.420 . 4.880 2.711 2.549 2.858 . 0 0 "[ . 1 . 2]" 1
845 1 39 ARG H 1 39 ARG QD 3.940 . 5.300 4.526 3.713 4.991 . 0 0 "[ . 1 . 2]" 1
846 1 55 LYS H 1 55 LYS HB3 3.670 . 5.300 1.957 1.935 1.983 0.055 6 0 "[ . 1 . 2]" 1
847 1 11 ILE HB 1 12 PHE H 3.200 . 4.480 3.311 3.202 3.416 . 0 0 "[ . 1 . 2]" 1
848 1 11 ILE MG 1 12 PHE H 4.150 . 5.300 3.904 3.581 4.155 . 0 0 "[ . 1 . 2]" 1
849 1 11 ILE H 1 12 PHE H 3.400 . 4.850 2.539 2.406 2.769 . 0 0 "[ . 1 . 2]" 1
850 1 10 THR H 1 11 ILE H 3.380 . 4.810 2.679 2.608 2.755 . 0 0 "[ . 1 . 2]" 1
851 1 9 ARG H 1 11 ILE H 3.770 . 5.300 3.655 3.511 3.863 . 0 0 "[ . 1 . 2]" 1
852 1 18 GLU H 1 21 ILE MD 3.200 . 4.480 3.917 3.315 4.398 . 0 0 "[ . 1 . 2]" 1
853 1 42 LEU H 1 42 LEU MD1 3.030 . 4.180 3.796 2.797 4.263 0.083 6 0 "[ . 1 . 2]" 1
854 1 5 TYR QB 1 6 SER H 3.530 . 5.080 2.596 2.174 2.758 . 0 0 "[ . 1 . 2]" 1
855 1 4 ASP HA 1 6 SER H 3.440 . 4.920 3.844 2.933 4.374 . 0 0 "[ . 1 . 2]" 1
856 1 26 VAL HB 1 27 ALA H 4.060 . 5.300 3.409 2.739 4.580 . 0 0 "[ . 1 . 2]" 1
857 1 29 HIS HB2 1 30 LYS H 3.280 . 4.620 4.020 3.298 4.518 . 0 0 "[ . 1 . 2]" 1
858 1 30 LYS H 1 30 LYS HG2 3.800 . 5.300 2.409 1.977 3.851 0.023 5 0 "[ . 1 . 2]" 1
859 1 30 LYS H 1 30 LYS HG3 3.690 . 5.300 3.772 3.437 3.960 . 0 0 "[ . 1 . 2]" 1
860 1 9 ARG HB3 1 10 THR H 3.280 . 4.620 3.165 2.932 3.421 . 0 0 "[ . 1 . 2]" 1
861 1 53 VAL H 1 54 TRP H 3.570 . 5.160 2.741 2.606 2.833 . 0 0 "[ . 1 . 2]" 1
862 1 54 TRP H 1 54 TRP QB 3.720 . 5.300 2.539 2.415 2.663 . 0 0 "[ . 1 . 2]" 1
863 1 53 VAL HB 1 54 TRP H 3.920 . 5.300 4.012 3.841 4.189 . 0 0 "[ . 1 . 2]" 1
864 1 53 VAL MG1 1 54 TRP H 4.310 . 5.300 2.240 2.062 2.452 . 0 0 "[ . 1 . 2]" 1
865 1 58 VAL H 1 59 GLU H 3.400 . 4.850 2.751 2.623 2.853 . 0 0 "[ . 1 . 2]" 1
866 1 22 PHE QE 1 32 VAL H 4.020 . 5.300 3.746 3.514 3.906 . 0 0 "[ . 1 . 2]" 1
867 1 26 VAL HA 1 28 ALA H 3.690 . 5.300 3.776 3.496 4.191 . 0 0 "[ . 1 . 2]" 1
868 1 58 VAL QG 1 59 GLU H 3.440 . 4.920 3.501 3.350 3.701 . 0 0 "[ . 1 . 2]" 1
869 1 18 GLU HA 1 19 SER H 3.310 . 4.680 2.381 2.299 2.500 . 0 0 "[ . 1 . 2]" 1
870 1 41 GLU HA 1 42 LEU H 3.440 . 4.920 3.727 3.603 3.795 . 0 0 "[ . 1 . 2]" 1
871 1 17 PRO HA 1 18 GLU H 3.940 . 5.300 2.387 2.224 2.521 . 0 0 "[ . 1 . 2]" 1
872 1 39 ARG HA 1 40 ARG H 4.390 . 5.300 3.577 3.481 3.646 . 0 0 "[ . 1 . 2]" 1
873 1 40 ARG H 1 40 ARG QD 3.690 . 5.300 2.843 2.044 3.739 . 0 0 "[ . 1 . 2]" 1
874 1 40 ARG H 1 40 ARG HG3 3.200 . 4.480 3.534 2.165 4.388 . 0 0 "[ . 1 . 2]" 1
875 1 37 PHE H 1 38 LEU H 3.500 . 5.030 2.404 2.319 2.480 . 0 0 "[ . 1 . 2]" 1
876 1 37 PHE QB 1 38 LEU H 3.640 . 5.290 2.655 2.456 2.932 . 0 0 "[ . 1 . 2]" 1
877 1 38 LEU H 1 38 LEU HB3 4.130 . 5.300 3.289 2.361 3.768 . 0 0 "[ . 1 . 2]" 1
878 1 20 HIS H 1 20 HIS HB3 3.360 . 4.770 2.681 2.595 2.771 . 0 0 "[ . 1 . 2]" 1
879 1 4 ASP H 1 5 TYR H 4.260 . 5.300 3.750 3.630 3.936 . 0 0 "[ . 1 . 2]" 1
880 1 4 ASP HA 1 7 GLY H 3.940 . 5.300 4.356 3.587 5.131 . 0 0 "[ . 1 . 2]" 1
881 1 9 ARG HB3 1 13 GLY H 3.850 . 5.300 4.657 4.478 5.069 . 0 0 "[ . 1 . 2]" 1
882 1 11 ILE HB 1 13 GLY H 3.770 . 5.300 5.346 5.313 5.404 0.104 20 0 "[ . 1 . 2]" 1
883 1 7 GLY H 1 9 ARG QG 4.100 . 5.300 4.860 4.683 5.053 . 0 0 "[ . 1 . 2]" 1
884 1 7 GLY HA2 1 8 LEU H 3.770 . 5.300 3.569 3.476 3.665 . 0 0 "[ . 1 . 2]" 1
885 1 61 TYR QD 1 62 GLY H 4.510 . 5.300 4.581 4.216 4.901 . 0 0 "[ . 1 . 2]" 1
886 1 42 LEU MD1 1 43 GLY H 3.610 . 5.240 5.072 4.363 5.310 0.070 16 0 "[ . 1 . 2]" 1
887 1 23 PHE H 1 23 PHE HB2 3.940 . 5.300 2.423 2.196 2.664 . 0 0 "[ . 1 . 2]" 1
888 1 23 PHE H 1 23 PHE HB3 3.740 . 5.300 3.709 3.514 3.863 . 0 0 "[ . 1 . 2]" 1
889 1 10 THR H 1 10 THR MG 3.280 . 4.620 2.595 2.262 3.162 . 0 0 "[ . 1 . 2]" 1
890 1 30 LYS H 1 30 LYS HB3 3.830 . 5.300 2.323 1.995 2.448 0.005 15 0 "[ . 1 . 2]" 1
891 1 5 TYR QD 1 6 SER H 3.850 . 5.300 3.860 3.320 4.134 . 0 0 "[ . 1 . 2]" 1
892 1 6 SER H 1 6 SER HA 2.910 . 3.970 2.226 1.994 2.449 . 0 0 "[ . 1 . 2]" 1
893 1 25 THR MG 1 28 ALA H 2.840 . 3.850 2.246 1.822 2.408 0.008 5 0 "[ . 1 . 2]" 1
894 1 27 ALA H 1 28 ALA H 3.570 . 5.160 2.760 2.423 2.992 . 0 0 "[ . 1 . 2]" 1
895 1 18 GLU H 1 18 GLU HB2 3.660 . 5.300 2.324 1.999 2.494 . 0 0 "[ . 1 . 2]" 1
896 1 31 TYR HA 1 32 VAL H 3.940 . 5.300 3.610 3.466 3.704 . 0 0 "[ . 1 . 2]" 1
897 1 32 VAL H 1 32 VAL QG 3.530 . 5.080 2.801 2.306 3.214 . 0 0 "[ . 1 . 2]" 1
898 1 42 LEU H 1 42 LEU QB 3.730 . 5.300 2.336 2.027 2.629 . 0 0 "[ . 1 . 2]" 1
899 1 52 LYS HA 1 55 LYS H 4.130 . 5.300 3.405 3.256 3.443 . 0 0 "[ . 1 . 2]" 1
900 1 54 TRP H 1 55 LYS H 3.550 . 5.130 2.833 2.742 2.946 . 0 0 "[ . 1 . 2]" 1
901 1 55 LYS H 1 57 PHE H 3.940 . 5.300 4.082 3.920 4.309 . 0 0 "[ . 1 . 2]" 1
902 1 31 TYR H 1 31 TYR QB 3.360 . 4.620 2.110 1.923 2.724 0.027 20 0 "[ . 1 . 2]" 1
903 1 31 TYR H 1 32 VAL QG 3.610 . 5.240 4.615 4.156 4.873 . 0 0 "[ . 1 . 2]" 1
904 1 40 ARG H 1 40 ARG QB 3.360 . 4.770 2.401 2.208 2.580 . 0 0 "[ . 1 . 2]" 1
905 1 15 LYS H 1 15 LYS QG 4.470 . 5.300 4.242 4.121 4.358 . 0 0 "[ . 1 . 2]" 1
906 1 15 LYS H 1 15 LYS HB3 3.200 . 4.480 3.020 2.685 3.344 . 0 0 "[ . 1 . 2]" 1
907 1 25 THR H 1 25 THR HB 3.360 . 4.770 2.560 2.297 2.849 . 0 0 "[ . 1 . 2]" 1
908 1 21 ILE QG 1 25 THR H 3.120 . 4.330 3.554 2.199 3.784 . 0 0 "[ . 1 . 2]" 1
909 1 41 GLU H 1 41 GLU HB3 3.530 . 5.080 2.555 2.413 2.936 . 0 0 "[ . 1 . 2]" 1
910 1 19 SER H 1 19 SER QB 4.020 . 5.300 2.559 2.214 2.844 . 0 0 "[ . 1 . 2]" 1
911 1 18 GLU HB2 1 19 SER H 3.530 . 5.080 3.847 3.489 4.326 . 0 0 "[ . 1 . 2]" 1
912 1 38 LEU H 1 38 LEU HG 4.390 . 5.300 1.992 1.949 2.167 0.031 3 0 "[ . 1 . 2]" 1
913 1 56 LYS H 1 56 LYS QB 3.530 . 5.080 2.491 2.203 2.669 . 0 0 "[ . 1 . 2]" 1
914 1 56 LYS H 1 56 LYS HE2 3.730 . 5.300 5.006 4.521 5.322 0.022 13 0 "[ . 1 . 2]" 1
915 1 53 VAL HA 1 56 LYS H 4.020 . 5.300 3.202 3.128 3.362 . 0 0 "[ . 1 . 2]" 1
916 1 42 LEU QB 1 44 LEU H 2.790 . 3.760 2.427 2.232 3.111 . 0 0 "[ . 1 . 2]" 1
917 1 42 LEU MD1 1 44 LEU H 3.440 . 4.920 2.827 2.178 3.569 . 0 0 "[ . 1 . 2]" 1
918 1 39 ARG QG 1 44 LEU H 3.530 . 5.080 4.405 3.609 5.113 0.033 8 0 "[ . 1 . 2]" 1
919 1 54 TRP H 1 54 TRP HD1 3.850 . 5.300 4.957 4.708 5.146 . 0 0 "[ . 1 . 2]" 1
920 1 35 TYR QE 1 54 TRP H 3.770 . 5.300 4.411 4.291 4.629 . 0 0 "[ . 1 . 2]" 1
921 1 51 ARG HA 1 54 TRP H 4.180 . 5.300 3.794 3.554 4.081 . 0 0 "[ . 1 . 2]" 1
922 1 51 ARG QB 1 54 TRP H 3.850 . 5.300 5.275 5.069 5.326 0.026 13 0 "[ . 1 . 2]" 1
923 1 15 LYS HB2 1 54 TRP H 3.940 . 5.300 4.767 4.565 4.992 . 0 0 "[ . 1 . 2]" 1
924 1 63 LYS H 1 63 LYS HB3 3.610 . 5.240 2.498 2.134 2.870 . 0 0 "[ . 1 . 2]" 1
925 1 11 ILE H 1 12 PHE HA 3.940 . 5.300 5.105 5.010 5.276 . 0 0 "[ . 1 . 2]" 1
926 1 11 ILE H 1 11 ILE HB 3.320 . 4.700 2.557 2.414 2.695 . 0 0 "[ . 1 . 2]" 1
927 1 11 ILE H 1 11 ILE MG 3.530 . 5.080 3.878 3.800 3.935 . 0 0 "[ . 1 . 2]" 1
928 1 59 GLU H 1 59 GLU QB 2.540 . 3.350 2.225 2.183 2.263 . 0 0 "[ . 1 . 2]" 1
929 1 58 VAL HB 1 59 GLU H 3.030 . 4.180 4.184 4.092 4.223 0.043 4 0 "[ . 1 . 2]" 1
930 1 57 PHE QD 1 58 VAL H 3.850 . 5.300 4.560 4.410 4.701 . 0 0 "[ . 1 . 2]" 1
931 1 5 TYR QE 1 61 TYR H 3.530 . 5.080 3.438 3.096 3.563 . 0 0 "[ . 1 . 2]" 1
932 1 27 ALA H 1 27 ALA MB 3.280 . 4.620 2.156 2.072 2.279 . 0 0 "[ . 1 . 2]" 1
933 1 53 VAL H 1 53 VAL HB 3.720 . 5.300 2.669 2.410 2.882 . 0 0 "[ . 1 . 2]" 1
934 1 64 ALA H 1 64 ALA MB 3.030 . 4.180 2.392 2.275 2.527 . 0 0 "[ . 1 . 2]" 1
935 1 24 ALA H 1 24 ALA MB 3.100 . 4.300 2.447 2.377 2.517 . 0 0 "[ . 1 . 2]" 1
936 1 14 GLU H 1 14 GLU HB2 4.180 . 5.300 2.747 2.203 3.595 . 0 0 "[ . 1 . 2]" 1
937 1 74 LEU H 1 74 LEU QB 4.100 . 5.300 2.413 2.177 3.000 . 0 0 "[ . 1 . 2]" 1
938 1 73 PRO HA 1 74 LEU H 3.280 . 4.620 2.303 2.155 2.518 . 0 0 "[ . 1 . 2]" 1
939 1 21 ILE H 1 21 ILE HB 3.650 . 5.300 3.715 3.102 3.884 . 0 0 "[ . 1 . 2]" 1
940 1 21 ILE H 1 21 ILE MG 3.810 . 5.300 2.211 1.937 2.757 0.053 11 0 "[ . 1 . 2]" 1
941 1 22 PHE H 1 22 PHE HB3 3.940 . 5.300 2.607 2.240 2.822 . 0 0 "[ . 1 . 2]" 1
942 1 22 PHE H 1 22 PHE HB2 3.790 . 5.300 2.484 2.311 2.661 . 0 0 "[ . 1 . 2]" 1
943 1 22 PHE H 1 24 ALA H 4.020 . 5.300 4.059 3.915 4.271 . 0 0 "[ . 1 . 2]" 1
944 1 54 TRP HA 1 57 PHE H 3.280 . 4.620 3.373 3.252 3.453 . 0 0 "[ . 1 . 2]" 1
945 1 57 PHE H 1 57 PHE QB 2.870 . 3.900 2.159 2.049 2.231 . 0 0 "[ . 1 . 2]" 1
946 1 16 LEU H 1 16 LEU HB2 3.660 . 5.300 2.489 2.079 3.720 . 0 0 "[ . 1 . 2]" 1
947 1 60 ALA H 1 60 ALA MB 3.100 . 4.300 2.346 2.262 2.428 . 0 0 "[ . 1 . 2]" 1
948 1 58 VAL QG 1 60 ALA H 3.850 . 5.300 4.685 4.607 4.800 . 0 0 "[ . 1 . 2]" 1
949 1 5 TYR H 1 5 TYR QB 3.720 . 5.300 2.780 2.593 2.927 . 0 0 "[ . 1 . 2]" 1
950 1 5 TYR H 1 8 LEU MD2 4.020 . 5.300 4.582 3.767 5.597 0.297 14 0 "[ . 1 . 2]" 1
951 1 5 TYR H 1 64 ALA MB 4.100 . 5.300 4.609 4.243 4.964 . 0 0 "[ . 1 . 2]" 1
952 1 4 ASP H 1 4 ASP HB2 3.650 . 5.300 2.584 2.259 3.213 . 0 0 "[ . 1 . 2]" 1
953 1 4 ASP H 1 4 ASP HB3 3.530 . 5.080 2.618 2.253 2.834 . 0 0 "[ . 1 . 2]" 1
954 1 29 HIS H 1 29 HIS HB2 3.500 . 5.030 2.212 1.999 2.552 . 0 0 "[ . 1 . 2]" 1
955 1 21 ILE HA 1 25 THR H 3.690 . 5.300 3.191 2.755 3.446 . 0 0 "[ . 1 . 2]" 1
956 1 64 ALA HA 1 65 ILE H 3.200 . 4.480 2.615 2.513 2.748 . 0 0 "[ . 1 . 2]" 1
957 1 65 ILE H 1 65 ILE HB 3.440 . 4.920 2.645 2.354 3.105 . 0 0 "[ . 1 . 2]" 1
958 1 64 ALA MB 1 65 ILE H 2.990 . 4.110 3.608 3.168 3.738 . 0 0 "[ . 1 . 2]" 1
959 1 65 ILE H 1 66 PRO QD 3.770 . 5.300 4.113 3.275 4.473 . 0 0 "[ . 1 . 2]" 1
960 1 8 LEU H 1 9 ARG H 3.100 . 4.300 2.307 2.242 2.378 . 0 0 "[ . 1 . 2]" 1
961 1 52 LYS H 1 53 VAL H 3.280 . 4.620 2.668 2.546 2.790 . 0 0 "[ . 1 . 2]" 1
962 1 9 ARG H 1 10 THR H 3.340 . 4.740 2.698 2.499 2.813 . 0 0 "[ . 1 . 2]" 1
963 1 8 LEU HB2 1 9 ARG H 3.360 . 4.770 2.569 2.373 2.861 . 0 0 "[ . 1 . 2]" 1
964 1 9 ARG H 1 9 ARG HB2 3.750 . 5.300 3.558 3.217 3.762 . 0 0 "[ . 1 . 2]" 1
965 1 15 LYS HB3 1 16 LEU H 4.180 . 5.300 3.077 2.164 3.827 . 0 0 "[ . 1 . 2]" 1
966 1 28 ALA MB 1 29 HIS H 3.400 . 4.850 2.701 2.465 3.044 . 0 0 "[ . 1 . 2]" 1
967 1 65 ILE H 1 65 ILE MG 3.640 . 5.290 2.076 1.958 2.345 0.032 1 0 "[ . 1 . 2]" 1
968 1 41 GLU H 1 41 GLU HB2 3.280 . 4.620 2.538 2.300 2.711 . 0 0 "[ . 1 . 2]" 1
969 1 38 LEU H 1 39 ARG H 3.530 . 5.080 3.158 3.002 3.289 . 0 0 "[ . 1 . 2]" 1
970 1 44 LEU H 1 44 LEU HB3 4.310 . 5.300 2.772 2.132 3.615 . 0 0 "[ . 1 . 2]" 1
971 1 28 ALA HA 1 29 HIS H 2.790 . 3.760 3.630 3.476 3.714 . 0 0 "[ . 1 . 2]" 1
972 1 20 HIS H 1 21 ILE H 3.850 . 5.300 2.812 2.569 2.969 . 0 0 "[ . 1 . 2]" 1
973 1 17 PRO HB2 1 18 GLU H 2.710 . 3.630 2.341 2.184 2.754 . 0 0 "[ . 1 . 2]" 1
974 1 18 GLU H 1 19 SER H 4.020 . 5.300 4.043 3.952 4.139 . 0 0 "[ . 1 . 2]" 1
975 1 18 GLU H 1 19 SER H 4.430 . 5.300 4.593 4.489 4.691 . 0 0 "[ . 1 . 2]" 1
976 1 29 HIS H 1 30 LYS H 3.390 . 4.830 3.018 2.771 3.134 . 0 0 "[ . 1 . 2]" 1
977 1 29 HIS H 1 29 HIS HB3 3.610 . 5.240 2.963 2.480 3.344 . 0 0 "[ . 1 . 2]" 1
978 1 29 HIS HB3 1 30 LYS H 3.280 . 4.620 3.356 2.829 3.593 . 0 0 "[ . 1 . 2]" 1
979 1 30 LYS H 1 30 LYS HB2 3.880 . 5.300 3.555 3.398 3.634 . 0 0 "[ . 1 . 2]" 1
980 1 3 ILE H 1 3 ILE HB 3.850 . 5.300 2.904 2.617 3.237 . 0 0 "[ . 1 . 2]" 1
981 1 18 GLU QG 1 50 ASN HD21 4.260 . 5.300 5.022 4.411 5.203 . 0 0 "[ . 1 . 2]" 1
982 1 22 PHE HB3 1 23 PHE H 3.030 . 4.180 3.097 2.866 3.378 . 0 0 "[ . 1 . 2]" 1
983 1 9 ARG HB2 1 10 THR H 4.390 . 5.300 3.513 3.041 3.810 . 0 0 "[ . 1 . 2]" 1
984 1 15 LYS H 1 15 LYS HB2 3.320 . 4.700 3.196 2.725 3.448 . 0 0 "[ . 1 . 2]" 1
985 1 34 SER H 1 34 SER HB2 3.280 . 4.620 3.725 3.555 3.834 . 0 0 "[ . 1 . 2]" 1
986 1 34 SER H 1 34 SER HB3 3.280 . 4.620 4.115 4.013 4.199 . 0 0 "[ . 1 . 2]" 1
987 1 18 GLU QG 1 50 ASN HD22 4.180 . 5.300 4.610 3.516 5.172 . 0 0 "[ . 1 . 2]" 1
988 1 15 LYS QD 1 50 ASN HD22 4.020 . 5.300 5.307 4.767 5.375 0.075 9 0 "[ . 1 . 2]" 1
989 1 50 ASN HD21 1 51 ARG QG 4.260 . 5.300 4.999 4.152 5.363 0.063 8 0 "[ . 1 . 2]" 1
990 1 8 LEU H 1 61 TYR QE 3.850 . 5.300 4.807 4.303 5.309 0.009 9 0 "[ . 1 . 2]" 1
991 1 8 LEU H 1 8 LEU HB3 4.470 . 5.300 3.674 3.587 3.802 . 0 0 "[ . 1 . 2]" 1
992 1 40 ARG HA 1 41 GLU H 4.350 . 5.300 3.600 3.547 3.669 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 167
_Distance_constraint_stats_list.Viol_total 345.832
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0646
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0540
_Distance_constraint_stats_list.Viol_average_violations_only 0.1035
_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 5 TYR 2.651 0.220 6 0 "[ . 1 . 2]"
1 6 SER 2.651 0.220 6 0 "[ . 1 . 2]"
1 7 GLY 2.544 0.180 3 0 "[ . 1 . 2]"
1 8 LEU 6.830 0.241 8 0 "[ . 1 . 2]"
1 9 ARG 2.651 0.220 6 0 "[ . 1 . 2]"
1 11 ILE 2.544 0.180 3 0 "[ . 1 . 2]"
1 12 PHE 4.286 0.241 8 0 "[ . 1 . 2]"
1 18 GLU 1.525 0.204 14 0 "[ . 1 . 2]"
1 22 PHE 1.525 0.204 14 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 TYR 2.596 0.223 2 0 "[ . 1 . 2]"
1 37 PHE 2.967 0.221 17 0 "[ . 1 . 2]"
1 38 LEU 0.723 0.157 15 0 "[ . 1 . 2]"
1 39 ARG 2.596 0.223 2 0 "[ . 1 . 2]"
1 41 GLU 2.967 0.221 17 0 "[ . 1 . 2]"
1 42 LEU 0.723 0.157 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 TYR O 1 9 ARG N 3.200 2.900 3.300 2.770 2.680 2.841 0.220 6 0 "[ . 1 . 2]" 2
2 1 5 TYR O 1 9 ARG H 2.200 . 2.300 1.960 1.865 2.005 0.035 6 0 "[ . 1 . 2]" 2
3 1 7 GLY O 1 11 ILE N 3.200 2.900 3.300 2.773 2.720 2.824 0.180 3 0 "[ . 1 . 2]" 2
4 1 7 GLY O 1 11 ILE H 2.200 . 2.300 1.940 1.900 2.006 . 0 0 "[ . 1 . 2]" 2
5 1 8 LEU O 1 12 PHE N 3.200 2.900 3.300 2.771 2.659 2.836 0.241 8 0 "[ . 1 . 2]" 2
6 1 8 LEU O 1 12 PHE H 2.200 . 2.300 1.815 1.684 1.902 0.216 8 0 "[ . 1 . 2]" 2
7 1 18 GLU O 1 22 PHE N 3.200 2.900 3.300 2.870 2.711 2.944 0.189 14 0 "[ . 1 . 2]" 2
8 1 18 GLU O 1 22 PHE H 2.200 . 2.300 1.876 1.696 1.940 0.204 14 0 "[ . 1 . 2]" 2
9 1 34 SER O 1 38 LEU N 3.200 2.900 3.300 2.975 2.944 3.003 . 0 0 "[ . 1 . 2]" 2
10 1 34 SER O 1 38 LEU H 2.200 . 2.300 1.980 1.936 2.032 . 0 0 "[ . 1 . 2]" 2
11 1 35 TYR O 1 39 ARG N 3.200 2.900 3.300 2.807 2.677 2.911 0.223 2 0 "[ . 1 . 2]" 2
12 1 35 TYR O 1 39 ARG H 2.200 . 2.300 1.892 1.698 1.980 0.202 2 0 "[ . 1 . 2]" 2
13 1 37 PHE O 1 41 GLU N 3.200 2.900 3.300 2.790 2.679 2.906 0.221 17 0 "[ . 1 . 2]" 2
14 1 37 PHE O 1 41 GLU H 2.200 . 2.300 1.868 1.754 1.931 0.146 10 0 "[ . 1 . 2]" 2
15 1 38 LEU O 1 42 LEU N 3.200 2.900 3.300 2.872 2.743 2.918 0.157 15 0 "[ . 1 . 2]" 2
16 1 38 LEU O 1 42 LEU H 2.200 . 2.300 1.917 1.836 1.960 0.064 15 0 "[ . 1 . 2]" 2
stop_
save_
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