NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399453 |
1u4a   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u4a
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 1161
_Distance_constraint_stats_list.Viol_count 576
_Distance_constraint_stats_list.Viol_total 274.389
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0052
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0238
_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 ASN 0.075 0.043 12 0 "[ . 1 . 2]"
1 2 ASP 0.075 0.043 12 0 "[ . 1 . 2]"
1 3 HIS 0.397 0.046 5 0 "[ . 1 . 2]"
1 4 ILE 0.922 0.069 13 0 "[ . 1 . 2]"
1 5 ASN 0.672 0.050 17 0 "[ . 1 . 2]"
1 6 LEU 0.126 0.034 19 0 "[ . 1 . 2]"
1 7 LYS 0.078 0.032 9 0 "[ . 1 . 2]"
1 8 VAL 0.123 0.052 16 0 "[ . 1 . 2]"
1 9 ALA 0.004 0.004 9 0 "[ . 1 . 2]"
1 10 GLY 0.123 0.031 1 0 "[ . 1 . 2]"
1 11 GLN 0.338 0.057 9 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.189 0.042 16 0 "[ . 1 . 2]"
1 14 SER 0.015 0.015 11 0 "[ . 1 . 2]"
1 15 VAL 0.038 0.017 8 0 "[ . 1 . 2]"
1 16 VAL 0.119 0.022 11 0 "[ . 1 . 2]"
1 17 GLN 0.035 0.021 12 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.109 0.050 17 0 "[ . 1 . 2]"
1 20 ILE 0.535 0.069 13 0 "[ . 1 . 2]"
1 21 LYS 0.426 0.036 10 0 "[ . 1 . 2]"
1 22 ARG 0.319 0.043 6 0 "[ . 1 . 2]"
1 23 HIS 0.305 0.047 16 0 "[ . 1 . 2]"
1 24 THR 0.230 0.043 6 0 "[ . 1 . 2]"
1 25 PRO 0.012 0.012 19 0 "[ . 1 . 2]"
1 26 LEU 0.575 0.045 10 0 "[ . 1 . 2]"
1 27 SER 0.379 0.045 10 0 "[ . 1 . 2]"
1 28 LYS 0.505 0.036 5 0 "[ . 1 . 2]"
1 29 LEU 0.073 0.017 7 0 "[ . 1 . 2]"
1 30 MET 0.047 0.017 6 0 "[ . 1 . 2]"
1 31 LYS 0.320 0.041 13 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 TYR 0.314 0.047 3 0 "[ . 1 . 2]"
1 34 SER 0.037 0.032 10 0 "[ . 1 . 2]"
1 35 GLU 0.192 0.041 13 0 "[ . 1 . 2]"
1 36 ARG 0.074 0.026 12 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 1.393 0.123 15 0 "[ . 1 . 2]"
1 39 LEU 0.237 0.062 20 0 "[ . 1 . 2]"
1 40 SER 1.623 0.123 15 0 "[ . 1 . 2]"
1 41 MET 0.193 0.030 12 0 "[ . 1 . 2]"
1 42 ARG 0.128 0.030 12 0 "[ . 1 . 2]"
1 43 GLN 2.441 0.120 9 0 "[ . 1 . 2]"
1 44 ILE 3.371 0.120 9 0 "[ . 1 . 2]"
1 45 ARG 0.984 0.072 11 0 "[ . 1 . 2]"
1 46 PHE 0.365 0.047 3 0 "[ . 1 . 2]"
1 47 ARG 0.240 0.035 7 0 "[ . 1 . 2]"
1 48 PHE 0.205 0.028 8 0 "[ . 1 . 2]"
1 49 ASP 0.122 0.032 7 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.138 0.032 7 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.079 0.035 11 0 "[ . 1 . 2]"
1 54 ASN 0.031 0.016 7 0 "[ . 1 . 2]"
1 55 GLU 0.092 0.030 14 0 "[ . 1 . 2]"
1 56 THR 0.027 0.014 19 0 "[ . 1 . 2]"
1 57 ASP 0.087 0.035 11 0 "[ . 1 . 2]"
1 58 THR 1.174 0.048 8 0 "[ . 1 . 2]"
1 59 PRO 0.053 0.027 18 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.850 0.048 8 0 "[ . 1 . 2]"
1 62 LEU 0.761 0.075 16 0 "[ . 1 . 2]"
1 63 GLU 0.785 0.075 16 0 "[ . 1 . 2]"
1 64 MET 0.012 0.012 6 0 "[ . 1 . 2]"
1 65 GLU 0.699 0.060 9 0 "[ . 1 . 2]"
1 66 ASP 0.222 0.036 2 0 "[ . 1 . 2]"
1 67 GLU 0.179 0.060 9 0 "[ . 1 . 2]"
1 68 ASP 0.392 0.045 11 0 "[ . 1 . 2]"
1 69 THR 0.040 0.032 9 0 "[ . 1 . 2]"
1 70 ILE 0.588 0.053 12 0 "[ . 1 . 2]"
1 71 ASP 0.551 0.053 12 0 "[ . 1 . 2]"
1 72 VAL 0.224 0.035 7 0 "[ . 1 . 2]"
1 73 PHE 0.506 0.057 9 0 "[ . 1 . 2]"
1 74 GLN 0.149 0.028 5 0 "[ . 1 . 2]"
1 75 GLN 0.088 0.023 1 0 "[ . 1 . 2]"
1 76 GLN 0.003 0.003 20 0 "[ . 1 . 2]"
1 77 THR 0.027 0.027 16 0 "[ . 1 . 2]"
1 78 GLY 0.027 0.027 16 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN HA 1 2 ASP H 1.800 . 3.500 2.562 2.141 3.543 0.043 12 0 "[ . 1 . 2]" 1
2 1 2 ASP HA 1 3 HIS H 1.800 . 3.500 2.304 2.141 2.600 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP QB 1 3 HIS H 1.800 . 5.000 3.443 2.195 3.998 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASP H 1 3 HIS H 1.800 . 5.500 4.070 2.942 4.634 . 0 0 "[ . 1 . 2]" 1
5 1 3 HIS H 1 3 HIS HD2 1.800 . 6.000 5.205 4.409 5.844 . 0 0 "[ . 1 . 2]" 1
6 1 3 HIS H 1 5 ASN H 1.800 . 6.000 6.018 5.997 6.046 0.046 5 0 "[ . 1 . 2]" 1
7 1 3 HIS HA 1 4 ILE H 1.800 . 3.000 2.248 2.150 2.545 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HB3 1 4 ILE H 1.800 . 4.500 3.101 2.171 3.737 . 0 0 "[ . 1 . 2]" 1
9 1 3 HIS HB2 1 4 ILE H 1.800 . 4.500 4.172 3.387 4.519 0.019 5 0 "[ . 1 . 2]" 1
10 1 3 HIS HD2 1 4 ILE H 1.800 . 6.000 3.883 3.322 4.770 . 0 0 "[ . 1 . 2]" 1
11 1 3 HIS H 1 4 ILE H 1.800 . 6.000 4.240 3.828 4.446 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE H 1 4 ILE MD 1.800 . 6.000 3.634 3.502 3.745 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE H 1 4 ILE HG13 1.800 . 4.500 3.285 3.106 3.571 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE H 1 4 ILE HG12 1.800 . 4.500 2.075 1.959 2.300 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE H 1 4 ILE MG 1.800 . 5.000 2.527 2.215 2.799 . 0 0 "[ . 1 . 2]" 1
16 1 4 ILE H 1 5 ASN H 1.800 . 6.000 4.479 4.363 4.546 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE H 1 19 LYS HA 1.800 . 6.000 4.491 3.696 5.183 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE H 1 19 LYS QE 1.800 . 6.000 5.582 4.508 6.022 0.022 12 0 "[ . 1 . 2]" 1
19 1 4 ILE H 1 21 LYS HA 1.800 . 5.000 3.555 2.796 4.263 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE H 1 21 LYS QB 1.800 . 6.000 5.226 4.512 5.860 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE H 1 22 ARG H 1.800 . 6.000 4.621 3.910 5.357 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE HA 1 5 ASN QB 1.800 . 6.000 4.205 3.976 4.454 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE HA 1 66 ASP HA 1.800 . 3.500 2.596 1.992 3.503 0.003 11 0 "[ . 1 . 2]" 1
24 1 4 ILE HA 1 66 ASP QB 1.800 . 5.000 4.209 2.341 5.036 0.036 2 0 "[ . 1 . 2]" 1
25 1 4 ILE HB 1 66 ASP HA 1.800 . 4.500 3.328 2.247 4.486 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE MD 1 20 ILE HB 1.800 . 5.000 4.328 4.035 4.563 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE MD 1 20 ILE MD 1.800 . 4.500 2.738 1.871 4.537 0.037 8 0 "[ . 1 . 2]" 1
28 1 4 ILE MD 1 20 ILE HG13 1.800 . 4.500 2.638 2.082 4.503 0.003 11 0 "[ . 1 . 2]" 1
29 1 4 ILE MD 1 20 ILE HG12 1.800 . 4.500 3.288 2.526 3.881 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE MD 1 21 LYS HA 1.800 . 5.000 4.415 3.921 4.911 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE MD 1 22 ARG HA 1.800 . 6.000 2.795 2.022 3.568 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE MD 1 22 ARG QB 1.800 . 4.500 3.238 2.477 4.071 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE MD 1 22 ARG QG 1.800 . 4.500 3.764 2.657 4.496 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE MD 1 22 ARG QD 1.800 . 6.000 4.996 4.087 5.599 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HG13 1 20 ILE QG 1.800 . 4.500 3.041 2.247 4.524 0.024 13 0 "[ . 1 . 2]" 1
36 1 4 ILE HG12 1 20 ILE QG 1.800 . 4.500 2.616 2.021 3.617 . 0 0 "[ . 1 . 2]" 1
37 1 3 HIS HA 1 4 ILE MG 1.800 . 6.000 3.699 3.465 4.013 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE MG 1 20 ILE HB 1.800 . 6.000 5.953 5.683 6.069 0.069 13 0 "[ . 1 . 2]" 1
39 1 4 ILE MG 1 21 LYS HA 1.800 . 5.000 3.877 3.263 4.463 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE MG 1 22 ARG QB 1.800 . 4.500 2.239 1.890 3.111 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE MG 1 22 ARG QG 1.800 . 5.000 2.790 1.885 3.399 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE MG 1 65 GLU HA 1.800 . 4.500 3.092 1.890 4.024 . 0 0 "[ . 1 . 2]" 1
43 1 4 ILE MG 1 66 ASP QB 1.800 . 6.000 4.435 2.815 5.536 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE MG 1 66 ASP H 1.800 . 6.000 4.153 3.532 5.147 . 0 0 "[ . 1 . 2]" 1
45 1 4 ILE HA 1 5 ASN H 1.800 . 3.000 2.138 2.122 2.161 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE HB 1 5 ASN H 1.800 . 4.500 3.266 3.141 3.488 . 0 0 "[ . 1 . 2]" 1
47 1 4 ILE MD 1 5 ASN H 1.800 . 6.000 5.076 4.943 5.300 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE HG13 1 5 ASN H 1.800 . 5.000 4.281 4.026 4.504 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE HG12 1 5 ASN H 1.800 . 5.000 4.974 4.829 5.023 0.023 12 0 "[ . 1 . 2]" 1
50 1 4 ILE MG 1 5 ASN H 1.800 . 6.000 3.999 3.874 4.129 . 0 0 "[ . 1 . 2]" 1
51 1 5 ASN H 1 5 ASN QD 1.800 . 5.000 3.983 2.234 4.487 . 0 0 "[ . 1 . 2]" 1
52 1 5 ASN H 1 5 ASN HD21 1.800 . 6.000 4.264 2.247 4.907 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASN H 1 5 ASN HD22 1.800 . 6.000 4.954 3.928 5.741 . 0 0 "[ . 1 . 2]" 1
54 1 5 ASN H 1 66 ASP HA 1.800 . 4.000 2.790 1.933 3.292 . 0 0 "[ . 1 . 2]" 1
55 1 5 ASN H 1 67 GLU HA 1.800 . 5.000 4.418 3.994 5.025 0.025 11 0 "[ . 1 . 2]" 1
56 1 5 ASN H 1 67 GLU QG 1.800 . 6.000 5.373 4.609 5.985 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASN H 1 66 ASP H 1.800 . 6.000 4.868 3.807 5.673 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASN H 1 67 GLU H 1.800 . 6.000 4.929 4.060 5.366 . 0 0 "[ . 1 . 2]" 1
59 1 5 ASN H 1 68 ASP H 1.800 . 6.000 5.031 4.596 5.384 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASN HA 1 5 ASN HD21 1.800 . 6.000 3.671 2.153 4.598 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASN QD 1 7 LYS QE 1.800 . 6.000 4.833 3.170 6.004 0.004 11 0 "[ . 1 . 2]" 1
62 1 5 ASN QD 1 67 GLU QG 1.800 . 6.000 5.014 2.101 6.006 0.006 15 0 "[ . 1 . 2]" 1
63 1 4 ILE QG 1 5 ASN HA 1.800 . 6.000 4.248 4.083 4.389 . 0 0 "[ . 1 . 2]" 1
64 1 5 ASN HA 1 19 LYS HA 1.800 . 4.000 3.213 2.472 3.558 . 0 0 "[ . 1 . 2]" 1
65 1 5 ASN HA 1 19 LYS QB 1.800 . 5.000 4.185 2.473 5.050 0.050 17 0 "[ . 1 . 2]" 1
66 1 5 ASN HA 1 19 LYS QD 1.800 . 6.000 4.613 3.418 5.515 . 0 0 "[ . 1 . 2]" 1
67 1 5 ASN HA 1 19 LYS QG 1.800 . 6.000 3.583 2.206 4.809 . 0 0 "[ . 1 . 2]" 1
68 1 4 ILE HA 1 5 ASN QD 1.800 . 6.000 5.419 3.185 6.025 0.025 17 0 "[ . 1 . 2]" 1
69 1 5 ASN HA 1 6 LEU H 1.800 . 3.000 2.183 2.138 2.262 . 0 0 "[ . 1 . 2]" 1
70 1 5 ASN QB 1 6 LEU H 1.800 . 4.500 3.626 3.261 3.946 . 0 0 "[ . 1 . 2]" 1
71 1 5 ASN HB3 1 6 LEU H 1.800 . 5.000 3.907 3.361 4.518 . 0 0 "[ . 1 . 2]" 1
72 1 5 ASN HB2 1 6 LEU H 1.800 . 5.000 4.422 3.598 4.675 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU H 1 6 LEU QB 1.800 . 4.000 2.371 2.189 2.743 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU H 1 6 LEU QD 1.800 . 5.000 3.112 2.202 3.842 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU H 1 6 LEU HG 1.800 . 5.000 4.207 3.412 4.620 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU H 1 7 LYS HA 1.800 . 6.000 4.984 4.726 5.220 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU H 1 7 LYS QD 1.800 . 6.000 5.066 3.872 6.011 0.011 12 0 "[ . 1 . 2]" 1
78 1 6 LEU H 1 7 LYS H 1.800 . 5.000 4.399 4.229 4.533 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU H 1 18 PHE H 1.800 . 4.500 3.635 2.975 4.483 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU H 1 18 PHE QB 1.800 . 6.000 4.292 3.652 4.820 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU H 1 19 LYS HA 1.800 . 4.500 3.595 2.921 4.391 . 0 0 "[ . 1 . 2]" 1
82 1 4 ILE MD 1 6 LEU QD 1.800 . 4.500 2.230 1.889 3.191 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU QD 1 7 LYS H 1.800 . 5.000 3.602 2.453 4.176 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU QD 1 29 LEU QD 1.800 . 4.500 2.210 1.793 2.886 0.007 12 0 "[ . 1 . 2]" 1
85 1 6 LEU QD 1 68 ASP HB3 1.800 . 5.000 2.492 1.798 3.882 0.002 7 0 "[ . 1 . 2]" 1
86 1 6 LEU QD 1 68 ASP HB2 1.800 . 5.000 2.983 1.896 3.762 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU QD 1 68 ASP H 1.800 . 6.000 3.668 1.998 4.971 . 0 0 "[ . 1 . 2]" 1
88 1 6 LEU QD 1 70 ILE H 1.800 . 6.000 4.480 3.153 5.553 . 0 0 "[ . 1 . 2]" 1
89 1 6 LEU QD 1 70 ILE MD 1.800 . 5.000 2.561 1.899 4.556 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU HG 1 29 LEU MD1 1.800 . 6.000 4.701 2.809 5.620 . 0 0 "[ . 1 . 2]" 1
91 1 6 LEU HG 1 29 LEU MD2 1.800 . 6.000 4.978 4.051 5.991 . 0 0 "[ . 1 . 2]" 1
92 1 6 LEU HG 1 70 ILE QG 1.800 . 5.000 3.935 2.958 4.932 . 0 0 "[ . 1 . 2]" 1
93 1 6 LEU HG 1 70 ILE MD 1.800 . 6.000 4.085 2.193 5.770 . 0 0 "[ . 1 . 2]" 1
94 1 6 LEU HA 1 7 LYS H 1.800 . 3.000 2.159 2.138 2.197 . 0 0 "[ . 1 . 2]" 1
95 1 6 LEU HB3 1 7 LYS H 1.800 . 4.500 3.462 3.088 4.077 . 0 0 "[ . 1 . 2]" 1
96 1 6 LEU HB2 1 7 LYS H 1.800 . 4.500 4.356 3.919 4.485 . 0 0 "[ . 1 . 2]" 1
97 1 7 LYS H 1 7 LYS QE 1.800 . 6.000 4.473 3.386 5.181 . 0 0 "[ . 1 . 2]" 1
98 1 7 LYS H 1 7 LYS QG 1.800 . 4.500 3.425 2.245 4.028 . 0 0 "[ . 1 . 2]" 1
99 1 7 LYS H 1 8 VAL H 1.800 . 6.000 4.180 4.011 4.534 . 0 0 "[ . 1 . 2]" 1
100 1 7 LYS H 1 67 GLU HA 1.800 . 6.000 5.516 4.662 5.969 . 0 0 "[ . 1 . 2]" 1
101 1 7 LYS H 1 68 ASP H 1.800 . 6.000 3.873 3.299 4.292 . 0 0 "[ . 1 . 2]" 1
102 1 7 LYS H 1 69 THR HA 1.800 . 4.500 2.746 2.237 3.328 . 0 0 "[ . 1 . 2]" 1
103 1 7 LYS H 1 69 THR MG 1.800 . 5.000 3.487 2.208 4.765 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS H 1 70 ILE H 1.800 . 5.000 4.080 3.638 4.373 . 0 0 "[ . 1 . 2]" 1
105 1 7 LYS HA 1 17 GLN HA 1.800 . 4.000 2.683 2.375 2.981 . 0 0 "[ . 1 . 2]" 1
106 1 7 LYS HB3 1 17 GLN HA 1.800 . 6.000 4.964 4.214 5.477 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS HB2 1 17 GLN HA 1.800 . 6.000 5.463 4.835 5.898 . 0 0 "[ . 1 . 2]" 1
108 1 7 LYS HA 1 7 LYS QG 1.800 . 4.000 2.286 2.096 2.830 . 0 0 "[ . 1 . 2]" 1
109 1 7 LYS HA 1 8 VAL H 1.800 . 3.000 2.199 2.146 2.260 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS HB3 1 8 VAL H 1.800 . 5.000 3.858 3.302 4.062 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS HB2 1 8 VAL H 1.800 . 5.000 4.531 4.154 4.655 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS QG 1 8 VAL H 1.800 . 6.000 4.155 3.736 4.650 . 0 0 "[ . 1 . 2]" 1
113 1 8 VAL H 1 8 VAL HB 1.800 . 4.000 2.637 2.595 2.691 . 0 0 "[ . 1 . 2]" 1
114 1 8 VAL H 1 8 VAL QG 1.800 . 4.000 2.213 2.083 2.500 . 0 0 "[ . 1 . 2]" 1
115 1 8 VAL H 1 8 VAL MG1 1.800 . 5.000 3.814 3.799 3.874 . 0 0 "[ . 1 . 2]" 1
116 1 8 VAL H 1 8 VAL MG2 1.800 . 5.000 2.228 2.093 2.531 . 0 0 "[ . 1 . 2]" 1
117 1 8 VAL H 1 16 VAL HA 1.800 . 6.000 5.317 4.969 5.643 . 0 0 "[ . 1 . 2]" 1
118 1 8 VAL H 1 16 VAL HB 1.800 . 5.000 4.524 3.781 4.979 . 0 0 "[ . 1 . 2]" 1
119 1 8 VAL H 1 16 VAL QG 1.800 . 5.000 4.315 2.691 4.924 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL H 1 16 VAL H 1.800 . 4.500 3.771 3.208 4.315 . 0 0 "[ . 1 . 2]" 1
121 1 8 VAL H 1 17 GLN HA 1.800 . 4.500 3.303 2.760 3.718 . 0 0 "[ . 1 . 2]" 1
122 1 8 VAL H 1 33 TYR QD 1.800 . 6.000 5.451 4.879 5.946 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL HA 1 70 ILE QG 1.800 . 5.000 3.253 1.996 4.684 . 0 0 "[ . 1 . 2]" 1
124 1 8 VAL HA 1 70 ILE MD 1.800 . 5.000 2.441 1.851 3.494 . 0 0 "[ . 1 . 2]" 1
125 1 8 VAL HB 1 16 VAL HB 1.800 . 4.500 3.571 2.779 4.522 0.022 11 0 "[ . 1 . 2]" 1
126 1 8 VAL HB 1 16 VAL QG 1.800 . 5.000 3.692 1.880 4.437 . 0 0 "[ . 1 . 2]" 1
127 1 8 VAL HB 1 18 PHE QD 1.800 . 6.000 4.207 3.266 4.926 . 0 0 "[ . 1 . 2]" 1
128 1 6 LEU QB 1 8 VAL QG 1.800 . 6.000 2.992 2.619 3.630 . 0 0 "[ . 1 . 2]" 1
129 1 8 VAL QG 1 46 PHE QD 1.800 . 6.000 3.721 2.782 4.373 . 0 0 "[ . 1 . 2]" 1
130 1 8 VAL QG 1 46 PHE QE 1.800 . 5.000 2.486 1.911 3.172 . 0 0 "[ . 1 . 2]" 1
131 1 8 VAL QG 1 18 PHE QD 1.800 . 4.500 3.205 2.378 4.244 . 0 0 "[ . 1 . 2]" 1
132 1 8 VAL QG 1 18 PHE QE 1.800 . 6.000 4.521 3.536 5.711 . 0 0 "[ . 1 . 2]" 1
133 1 8 VAL QG 1 29 LEU QD 1.800 . 4.500 2.173 1.814 3.133 . 0 0 "[ . 1 . 2]" 1
134 1 8 VAL QG 1 29 LEU MD1 1.800 . 5.000 2.996 1.912 3.664 . 0 0 "[ . 1 . 2]" 1
135 1 8 VAL QG 1 29 LEU MD2 1.800 . 5.000 2.419 1.926 4.219 . 0 0 "[ . 1 . 2]" 1
136 1 8 VAL QG 1 33 TYR QD 1.800 . 5.000 2.842 2.537 3.140 . 0 0 "[ . 1 . 2]" 1
137 1 8 VAL QG 1 33 TYR QE 1.800 . 4.500 2.660 2.474 2.874 . 0 0 "[ . 1 . 2]" 1
138 1 8 VAL QG 1 70 ILE H 1.800 . 6.000 4.062 3.616 4.852 . 0 0 "[ . 1 . 2]" 1
139 1 8 VAL MG1 1 70 ILE HB 1.800 . 5.000 3.809 2.433 4.509 . 0 0 "[ . 1 . 2]" 1
140 1 8 VAL MG2 1 70 ILE HB 1.800 . 5.000 4.244 1.942 5.011 0.011 11 0 "[ . 1 . 2]" 1
141 1 8 VAL QG 1 70 ILE QG 1.800 . 5.000 3.080 2.230 3.870 . 0 0 "[ . 1 . 2]" 1
142 1 8 VAL QG 1 70 ILE MG 1.800 . 5.000 4.063 2.694 4.728 . 0 0 "[ . 1 . 2]" 1
143 1 8 VAL QG 1 72 VAL MG1 1.800 . 5.000 2.072 1.811 2.618 . 0 0 "[ . 1 . 2]" 1
144 1 8 VAL QG 1 72 VAL MG2 1.800 . 5.000 3.211 2.006 3.937 . 0 0 "[ . 1 . 2]" 1
145 1 8 VAL HA 1 9 ALA H 1.800 . 3.000 2.153 2.137 2.224 . 0 0 "[ . 1 . 2]" 1
146 1 8 VAL HB 1 9 ALA H 1.800 . 5.000 4.218 4.091 4.419 . 0 0 "[ . 1 . 2]" 1
147 1 8 VAL QG 1 9 ALA H 1.800 . 4.500 2.781 2.335 3.231 . 0 0 "[ . 1 . 2]" 1
148 1 8 VAL MG1 1 9 ALA H 1.800 . 5.000 2.826 2.347 3.337 . 0 0 "[ . 1 . 2]" 1
149 1 8 VAL MG2 1 9 ALA H 1.800 . 5.000 4.205 4.125 4.319 . 0 0 "[ . 1 . 2]" 1
150 1 9 ALA H 1 9 ALA MB 1.800 . 4.000 2.339 2.185 2.529 . 0 0 "[ . 1 . 2]" 1
151 1 9 ALA H 1 10 GLY H 1.800 . 6.000 4.314 3.899 4.487 . 0 0 "[ . 1 . 2]" 1
152 1 9 ALA H 1 69 THR MG 1.800 . 6.000 5.553 4.845 6.004 0.004 9 0 "[ . 1 . 2]" 1
153 1 9 ALA H 1 70 ILE H 1.800 . 5.000 3.656 3.075 4.143 . 0 0 "[ . 1 . 2]" 1
154 1 9 ALA H 1 70 ILE HB 1.800 . 5.000 4.507 3.493 4.982 . 0 0 "[ . 1 . 2]" 1
155 1 9 ALA H 1 70 ILE MG 1.800 . 6.000 5.368 4.516 5.815 . 0 0 "[ . 1 . 2]" 1
156 1 9 ALA H 1 71 ASP HA 1.800 . 4.000 2.793 2.064 3.655 . 0 0 "[ . 1 . 2]" 1
157 1 9 ALA H 1 71 ASP QB 1.800 . 6.000 4.767 4.156 5.529 . 0 0 "[ . 1 . 2]" 1
158 1 9 ALA H 1 72 VAL QG 1.800 . 6.000 3.824 3.263 4.289 . 0 0 "[ . 1 . 2]" 1
159 1 9 ALA H 1 72 VAL H 1.800 . 5.000 3.347 2.746 3.925 . 0 0 "[ . 1 . 2]" 1
160 1 9 ALA HA 1 15 VAL HA 1.800 . 4.000 2.660 2.016 3.120 . 0 0 "[ . 1 . 2]" 1
161 1 9 ALA HA 1 15 VAL MG1 1.800 . 6.000 3.766 2.289 5.566 . 0 0 "[ . 1 . 2]" 1
162 1 9 ALA HA 1 15 VAL MG2 1.800 . 6.000 3.943 2.683 5.361 . 0 0 "[ . 1 . 2]" 1
163 1 8 VAL HA 1 9 ALA MB 1.800 . 6.000 3.978 3.905 4.090 . 0 0 "[ . 1 . 2]" 1
164 1 9 ALA MB 1 15 VAL HA 1.800 . 5.000 3.730 3.214 4.106 . 0 0 "[ . 1 . 2]" 1
165 1 9 ALA MB 1 72 VAL H 1.800 . 6.000 3.982 3.537 4.422 . 0 0 "[ . 1 . 2]" 1
166 1 9 ALA HA 1 10 GLY H 1.800 . 3.000 2.182 2.141 2.574 . 0 0 "[ . 1 . 2]" 1
167 1 9 ALA MB 1 10 GLY H 1.800 . 4.500 3.239 2.313 3.567 . 0 0 "[ . 1 . 2]" 1
168 1 10 GLY H 1 11 GLN H 1.800 . 6.000 4.583 4.400 4.620 . 0 0 "[ . 1 . 2]" 1
169 1 10 GLY H 1 12 ASP H 1.800 . 6.000 5.141 4.402 5.844 . 0 0 "[ . 1 . 2]" 1
170 1 10 GLY H 1 13 GLY H 1.800 . 6.000 4.709 4.015 5.760 . 0 0 "[ . 1 . 2]" 1
171 1 10 GLY H 1 14 SER QB 1.800 . 5.000 3.365 2.202 4.218 . 0 0 "[ . 1 . 2]" 1
172 1 10 GLY H 1 14 SER H 1.800 . 4.000 3.073 2.108 3.948 . 0 0 "[ . 1 . 2]" 1
173 1 10 GLY H 1 15 VAL HA 1.800 . 5.000 3.645 2.912 4.537 . 0 0 "[ . 1 . 2]" 1
174 1 10 GLY H 1 15 VAL MG1 1.800 . 6.000 4.816 3.538 5.934 . 0 0 "[ . 1 . 2]" 1
175 1 10 GLY H 1 15 VAL MG2 1.800 . 6.000 4.799 3.331 5.859 . 0 0 "[ . 1 . 2]" 1
176 1 10 GLY QA 1 73 PHE HA 1.800 . 4.500 4.398 4.155 4.531 0.031 1 0 "[ . 1 . 2]" 1
177 1 9 ALA HA 1 10 GLY QA 1.800 . 5.000 3.923 3.899 3.989 . 0 0 "[ . 1 . 2]" 1
178 1 10 GLY QA 1 14 SER HB3 1.800 . 5.000 3.784 2.091 4.933 . 0 0 "[ . 1 . 2]" 1
179 1 10 GLY QA 1 14 SER HB2 1.800 . 5.000 3.612 1.948 4.712 . 0 0 "[ . 1 . 2]" 1
180 1 10 GLY QA 1 72 VAL QG 1.800 . 4.000 1.881 1.789 2.122 0.011 19 0 "[ . 1 . 2]" 1
181 1 10 GLY QA 1 72 VAL MG1 1.800 . 5.000 2.108 1.792 4.341 0.008 19 0 "[ . 1 . 2]" 1
182 1 10 GLY QA 1 72 VAL MG2 1.800 . 5.000 3.771 1.935 4.379 . 0 0 "[ . 1 . 2]" 1
183 1 10 GLY QA 1 72 VAL HB 1.800 . 5.000 4.337 4.041 4.546 . 0 0 "[ . 1 . 2]" 1
184 1 10 GLY QA 1 11 GLN H 1.800 . 3.500 2.177 2.120 2.256 . 0 0 "[ . 1 . 2]" 1
185 1 10 GLY HA3 1 11 GLN H 1.800 . 4.500 2.951 2.733 3.184 . 0 0 "[ . 1 . 2]" 1
186 1 10 GLY HA2 1 11 GLN H 1.800 . 4.500 2.246 2.153 2.403 . 0 0 "[ . 1 . 2]" 1
187 1 11 GLN H 1 11 GLN QG 1.800 . 4.500 3.423 2.169 4.100 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLN H 1 11 GLN QE 1.800 . 6.000 4.330 2.190 5.556 . 0 0 "[ . 1 . 2]" 1
189 1 11 GLN H 1 12 ASP H 1.800 . 4.500 2.863 2.680 3.527 . 0 0 "[ . 1 . 2]" 1
190 1 11 GLN H 1 72 VAL H 1.800 . 5.000 4.596 4.210 4.993 . 0 0 "[ . 1 . 2]" 1
191 1 11 GLN H 1 72 VAL HB 1.800 . 6.000 5.959 5.866 6.009 0.009 19 0 "[ . 1 . 2]" 1
192 1 11 GLN H 1 72 VAL QG 1.800 . 6.000 3.291 3.118 3.786 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLN H 1 73 PHE HA 1.800 . 4.000 3.269 2.898 3.659 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLN HA 1 11 GLN HE21 1.800 . 6.000 4.611 3.174 5.386 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLN HA 1 11 GLN HE22 1.800 . 6.000 5.704 3.530 6.006 0.006 10 0 "[ . 1 . 2]" 1
196 1 11 GLN QB 1 11 GLN HE21 1.800 . 6.000 2.618 1.955 3.997 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLN HE21 1 73 PHE HA 1.800 . 5.000 3.894 3.236 5.057 0.057 9 0 "[ . 1 . 2]" 1
198 1 11 GLN HE22 1 73 PHE HA 1.800 . 5.000 4.560 2.255 5.016 0.016 2 0 "[ . 1 . 2]" 1
199 1 11 GLN HA 1 11 GLN QG 1.800 . 4.000 2.724 2.117 3.453 . 0 0 "[ . 1 . 2]" 1
200 1 11 GLN QB 1 73 PHE QD 1.800 . 4.000 2.772 1.905 3.659 . 0 0 "[ . 1 . 2]" 1
201 1 11 GLN QG 1 73 PHE QD 1.800 . 4.500 3.445 2.002 4.511 0.011 7 0 "[ . 1 . 2]" 1
202 1 10 GLY QA 1 12 ASP H 1.800 . 4.500 3.304 3.032 3.690 . 0 0 "[ . 1 . 2]" 1
203 1 11 GLN HA 1 12 ASP H 1.800 . 4.500 3.369 2.610 3.575 . 0 0 "[ . 1 . 2]" 1
204 1 11 GLN HB3 1 12 ASP H 1.800 . 5.000 3.494 2.379 4.366 . 0 0 "[ . 1 . 2]" 1
205 1 11 GLN HB2 1 12 ASP H 1.800 . 5.000 4.001 3.493 4.651 . 0 0 "[ . 1 . 2]" 1
206 1 11 GLN QG 1 12 ASP H 1.800 . 6.000 3.484 2.088 4.810 . 0 0 "[ . 1 . 2]" 1
207 1 12 ASP QB 1 14 SER QB 1.800 . 5.000 4.006 2.934 4.696 . 0 0 "[ . 1 . 2]" 1
208 1 12 ASP QB 1 72 VAL QG 1.800 . 6.000 5.401 4.831 5.842 . 0 0 "[ . 1 . 2]" 1
209 1 11 GLN HA 1 13 GLY H 1.800 . 4.000 3.856 3.484 4.042 0.042 16 0 "[ . 1 . 2]" 1
210 1 12 ASP HA 1 13 GLY H 1.800 . 4.500 3.196 2.794 3.514 . 0 0 "[ . 1 . 2]" 1
211 1 12 ASP HB3 1 13 GLY H 1.800 . 5.000 3.831 2.888 4.625 . 0 0 "[ . 1 . 2]" 1
212 1 12 ASP HB2 1 13 GLY H 1.800 . 5.000 3.948 2.969 4.534 . 0 0 "[ . 1 . 2]" 1
213 1 12 ASP H 1 13 GLY H 1.800 . 4.000 2.680 2.087 3.150 . 0 0 "[ . 1 . 2]" 1
214 1 10 GLY QA 1 14 SER H 1.800 . 5.000 3.392 2.617 4.329 . 0 0 "[ . 1 . 2]" 1
215 1 13 GLY H 1 14 SER H 1.800 . 4.000 2.623 2.038 3.415 . 0 0 "[ . 1 . 2]" 1
216 1 13 GLY QA 1 14 SER H 1.800 . 4.000 2.570 2.235 2.939 . 0 0 "[ . 1 . 2]" 1
217 1 13 GLY HA3 1 14 SER H 1.800 . 5.000 3.535 3.251 3.582 . 0 0 "[ . 1 . 2]" 1
218 1 13 GLY HA2 1 14 SER H 1.800 . 5.000 2.659 2.262 3.353 . 0 0 "[ . 1 . 2]" 1
219 1 14 SER H 1 15 VAL H 1.800 . 5.000 4.150 3.179 4.640 . 0 0 "[ . 1 . 2]" 1
220 1 14 SER HA 1 15 VAL HB 1.800 . 6.000 5.050 4.410 5.809 . 0 0 "[ . 1 . 2]" 1
221 1 14 SER HA 1 15 VAL QG 1.800 . 5.000 3.526 3.168 4.098 . 0 0 "[ . 1 . 2]" 1
222 1 9 ALA HA 1 15 VAL H 1.800 . 6.000 4.930 3.967 5.610 . 0 0 "[ . 1 . 2]" 1
223 1 9 ALA MB 1 15 VAL H 1.800 . 6.000 5.556 4.342 5.994 . 0 0 "[ . 1 . 2]" 1
224 1 14 SER HA 1 15 VAL H 1.800 . 3.000 2.243 2.142 2.470 . 0 0 "[ . 1 . 2]" 1
225 1 14 SER QB 1 15 VAL H 1.800 . 4.000 3.362 2.439 4.015 0.015 11 0 "[ . 1 . 2]" 1
226 1 14 SER HB3 1 15 VAL H 1.800 . 5.000 3.800 2.518 4.417 . 0 0 "[ . 1 . 2]" 1
227 1 14 SER HB2 1 15 VAL H 1.800 . 5.000 4.034 2.472 4.681 . 0 0 "[ . 1 . 2]" 1
228 1 15 VAL H 1 15 VAL HB 1.800 . 4.000 3.215 2.629 3.881 . 0 0 "[ . 1 . 2]" 1
229 1 15 VAL H 1 15 VAL MG1 1.800 . 5.000 3.087 1.980 3.971 . 0 0 "[ . 1 . 2]" 1
230 1 15 VAL H 1 15 VAL MG2 1.800 . 5.000 2.826 2.003 3.989 . 0 0 "[ . 1 . 2]" 1
231 1 15 VAL H 1 16 VAL H 1.800 . 6.000 4.109 3.701 4.471 . 0 0 "[ . 1 . 2]" 1
232 1 15 VAL HB 1 16 VAL HA 1.800 . 6.000 4.969 4.350 5.860 . 0 0 "[ . 1 . 2]" 1
233 1 8 VAL H 1 15 VAL QG 1.800 . 6.000 4.788 3.494 5.825 . 0 0 "[ . 1 . 2]" 1
234 1 7 LYS QG 1 15 VAL QG 1.800 . 5.000 3.980 2.522 5.001 0.001 4 0 "[ . 1 . 2]" 1
235 1 7 LYS QD 1 15 VAL QG 1.800 . 6.000 5.055 3.444 6.017 0.017 8 0 "[ . 1 . 2]" 1
236 1 9 ALA MB 1 15 VAL QG 1.800 . 5.000 2.899 1.953 4.007 . 0 0 "[ . 1 . 2]" 1
237 1 9 ALA MB 1 15 VAL MG1 1.800 . 6.000 3.604 1.956 5.536 . 0 0 "[ . 1 . 2]" 1
238 1 9 ALA MB 1 15 VAL MG2 1.800 . 6.000 3.788 2.386 5.493 . 0 0 "[ . 1 . 2]" 1
239 1 9 ALA HA 1 16 VAL H 1.800 . 4.500 3.803 3.340 4.281 . 0 0 "[ . 1 . 2]" 1
240 1 9 ALA MB 1 16 VAL H 1.800 . 6.000 4.880 4.525 5.199 . 0 0 "[ . 1 . 2]" 1
241 1 15 VAL HA 1 16 VAL H 1.800 . 3.000 2.170 2.138 2.233 . 0 0 "[ . 1 . 2]" 1
242 1 15 VAL HB 1 16 VAL H 1.800 . 5.000 4.102 3.303 4.412 . 0 0 "[ . 1 . 2]" 1
243 1 15 VAL MG1 1 16 VAL H 1.800 . 5.000 3.723 2.929 4.179 . 0 0 "[ . 1 . 2]" 1
244 1 15 VAL MG2 1 16 VAL H 1.800 . 5.000 3.799 2.418 4.329 . 0 0 "[ . 1 . 2]" 1
245 1 16 VAL H 1 16 VAL HB 1.800 . 4.000 2.939 2.669 3.833 . 0 0 "[ . 1 . 2]" 1
246 1 16 VAL H 1 16 VAL MG1 1.800 . 5.000 3.808 3.130 3.996 . 0 0 "[ . 1 . 2]" 1
247 1 16 VAL H 1 16 VAL MG2 1.800 . 5.000 2.576 2.062 2.901 . 0 0 "[ . 1 . 2]" 1
248 1 16 VAL H 1 33 TYR QD 1.800 . 6.000 5.769 5.401 6.018 0.018 14 0 "[ . 1 . 2]" 1
249 1 16 VAL H 1 33 TYR QE 1.800 . 5.000 3.842 3.234 4.646 . 0 0 "[ . 1 . 2]" 1
250 1 16 VAL HA 1 17 GLN QB 1.800 . 6.000 4.195 3.937 4.509 . 0 0 "[ . 1 . 2]" 1
251 1 16 VAL HB 1 17 GLN HA 1.800 . 6.000 4.725 4.356 4.990 . 0 0 "[ . 1 . 2]" 1
252 1 16 VAL HB 1 18 PHE QD 1.800 . 6.000 3.617 2.816 4.418 . 0 0 "[ . 1 . 2]" 1
253 1 16 VAL HB 1 18 PHE QE 1.800 . 5.000 4.033 2.384 4.980 . 0 0 "[ . 1 . 2]" 1
254 1 16 VAL HB 1 33 TYR QD 1.800 . 6.000 3.787 3.000 4.859 . 0 0 "[ . 1 . 2]" 1
255 1 16 VAL HB 1 33 TYR QE 1.800 . 5.000 2.439 1.921 4.615 . 0 0 "[ . 1 . 2]" 1
256 1 8 VAL QG 1 16 VAL QG 1.800 . 5.000 3.671 2.470 4.282 . 0 0 "[ . 1 . 2]" 1
257 1 14 SER QB 1 16 VAL QG 1.800 . 5.000 3.278 2.801 4.008 . 0 0 "[ . 1 . 2]" 1
258 1 16 VAL QG 1 18 PHE QD 1.800 . 4.500 2.789 2.026 3.587 . 0 0 "[ . 1 . 2]" 1
259 1 16 VAL QG 1 18 PHE QE 1.800 . 4.500 2.788 2.002 3.631 . 0 0 "[ . 1 . 2]" 1
260 1 16 VAL MG1 1 33 TYR QD 1.800 . 5.000 3.769 3.000 4.669 . 0 0 "[ . 1 . 2]" 1
261 1 16 VAL MG2 1 33 TYR QD 1.800 . 5.000 4.090 2.278 4.790 . 0 0 "[ . 1 . 2]" 1
262 1 16 VAL MG1 1 33 TYR QE 1.800 . 5.000 3.326 2.359 3.953 . 0 0 "[ . 1 . 2]" 1
263 1 16 VAL MG2 1 33 TYR QE 1.800 . 5.000 2.766 1.876 3.434 . 0 0 "[ . 1 . 2]" 1
264 1 16 VAL QG 1 36 ARG QD 1.800 . 5.000 4.058 2.576 4.920 . 0 0 "[ . 1 . 2]" 1
265 1 16 VAL QG 1 37 GLN QG 1.800 . 5.000 3.728 2.461 4.533 . 0 0 "[ . 1 . 2]" 1
266 1 16 VAL HA 1 17 GLN H 1.800 . 3.000 2.243 2.173 2.451 . 0 0 "[ . 1 . 2]" 1
267 1 16 VAL HB 1 17 GLN H 1.800 . 4.000 3.682 2.253 4.021 0.021 12 0 "[ . 1 . 2]" 1
268 1 16 VAL QG 1 17 GLN H 1.800 . 4.000 2.385 2.064 3.311 . 0 0 "[ . 1 . 2]" 1
269 1 16 VAL MG1 1 17 GLN H 1.800 . 5.000 2.447 2.071 3.598 . 0 0 "[ . 1 . 2]" 1
270 1 16 VAL MG2 1 17 GLN H 1.800 . 5.000 3.987 3.451 4.107 . 0 0 "[ . 1 . 2]" 1
271 1 16 VAL H 1 17 GLN H 1.800 . 5.000 4.432 4.321 4.539 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLN H 1 17 GLN QG 1.800 . 5.000 3.228 1.982 4.143 . 0 0 "[ . 1 . 2]" 1
273 1 17 GLN H 1 18 PHE H 1.800 . 5.000 4.335 3.926 4.603 . 0 0 "[ . 1 . 2]" 1
274 1 7 LYS QB 1 17 GLN HA 1.800 . 6.000 4.592 4.050 4.966 . 0 0 "[ . 1 . 2]" 1
275 1 7 LYS QD 1 17 GLN HA 1.800 . 6.000 4.605 3.144 5.814 . 0 0 "[ . 1 . 2]" 1
276 1 7 LYS QG 1 17 GLN QB 1.800 . 6.000 3.580 2.154 4.863 . 0 0 "[ . 1 . 2]" 1
277 1 5 ASN QB 1 17 GLN QG 1.800 . 6.000 4.603 3.221 5.997 . 0 0 "[ . 1 . 2]" 1
278 1 7 LYS QG 1 17 GLN QG 1.800 . 5.000 2.980 1.982 4.588 . 0 0 "[ . 1 . 2]" 1
279 1 7 LYS QG 1 17 GLN HG3 1.800 . 6.000 3.443 1.991 5.449 . 0 0 "[ . 1 . 2]" 1
280 1 7 LYS QG 1 17 GLN HG2 1.800 . 6.000 3.712 2.086 5.201 . 0 0 "[ . 1 . 2]" 1
281 1 6 LEU QB 1 18 PHE H 1.800 . 6.000 3.889 3.338 4.648 . 0 0 "[ . 1 . 2]" 1
282 1 7 LYS HA 1 18 PHE H 1.800 . 4.500 3.814 3.078 4.187 . 0 0 "[ . 1 . 2]" 1
283 1 17 GLN HA 1 18 PHE H 1.800 . 3.000 2.206 2.143 2.324 . 0 0 "[ . 1 . 2]" 1
284 1 17 GLN HB3 1 18 PHE H 1.800 . 5.000 3.820 2.793 4.513 . 0 0 "[ . 1 . 2]" 1
285 1 17 GLN HB2 1 18 PHE H 1.800 . 5.000 4.139 2.641 4.637 . 0 0 "[ . 1 . 2]" 1
286 1 18 PHE H 1 18 PHE QD 1.800 . 4.500 3.698 2.987 4.389 . 0 0 "[ . 1 . 2]" 1
287 1 6 LEU QB 1 18 PHE QB 1.800 . 5.000 3.597 3.017 4.384 . 0 0 "[ . 1 . 2]" 1
288 1 8 VAL QG 1 18 PHE QB 1.800 . 6.000 2.974 2.145 3.881 . 0 0 "[ . 1 . 2]" 1
289 1 16 VAL QG 1 18 PHE QB 1.800 . 6.000 4.097 3.596 4.643 . 0 0 "[ . 1 . 2]" 1
290 1 18 PHE HB3 1 29 LEU QD 1.800 . 5.000 2.443 1.907 3.909 . 0 0 "[ . 1 . 2]" 1
291 1 18 PHE HB2 1 29 LEU QD 1.800 . 5.000 2.697 1.954 4.389 . 0 0 "[ . 1 . 2]" 1
292 1 18 PHE HA 1 19 LYS H 1.800 . 3.000 2.294 2.170 2.489 . 0 0 "[ . 1 . 2]" 1
293 1 18 PHE QB 1 19 LYS H 1.800 . 4.500 2.895 2.433 3.403 . 0 0 "[ . 1 . 2]" 1
294 1 18 PHE HB3 1 19 LYS H 1.800 . 5.000 2.958 2.459 3.536 . 0 0 "[ . 1 . 2]" 1
295 1 18 PHE HB2 1 19 LYS H 1.800 . 5.000 4.153 3.865 4.430 . 0 0 "[ . 1 . 2]" 1
296 1 18 PHE QD 1 19 LYS H 1.800 . 5.000 2.803 2.178 3.434 . 0 0 "[ . 1 . 2]" 1
297 1 18 PHE QE 1 19 LYS H 1.800 . 6.000 4.857 4.323 5.579 . 0 0 "[ . 1 . 2]" 1
298 1 18 PHE H 1 19 LYS H 1.800 . 6.000 4.472 4.194 4.575 . 0 0 "[ . 1 . 2]" 1
299 1 19 LYS H 1 19 LYS QD 1.800 . 5.000 4.389 3.713 4.993 . 0 0 "[ . 1 . 2]" 1
300 1 19 LYS H 1 19 LYS HG3 1.800 . 6.000 3.529 2.260 4.536 . 0 0 "[ . 1 . 2]" 1
301 1 19 LYS H 1 19 LYS HG2 1.800 . 6.000 3.875 2.112 4.874 . 0 0 "[ . 1 . 2]" 1
302 1 19 LYS H 1 20 ILE H 1.800 . 6.000 4.280 3.821 4.574 . 0 0 "[ . 1 . 2]" 1
303 1 18 PHE HA 1 19 LYS QB 1.800 . 6.000 4.182 3.863 4.525 . 0 0 "[ . 1 . 2]" 1
304 1 5 ASN QB 1 19 LYS QG 1.800 . 6.000 4.673 3.556 6.000 . 10 0 "[ . 1 . 2]" 1
305 1 5 ASN QB 1 19 LYS QD 1.800 . 6.000 5.018 3.614 5.976 . 0 0 "[ . 1 . 2]" 1
306 1 3 HIS HD2 1 20 ILE H 1.800 . 5.000 3.979 2.537 4.879 . 0 0 "[ . 1 . 2]" 1
307 1 4 ILE H 1 20 ILE H 1.800 . 5.000 3.159 2.496 3.841 . 0 0 "[ . 1 . 2]" 1
308 1 5 ASN HA 1 20 ILE H 1.800 . 5.000 4.524 4.121 4.847 . 0 0 "[ . 1 . 2]" 1
309 1 19 LYS HA 1 20 ILE H 1.800 . 3.000 2.191 2.147 2.295 . 0 0 "[ . 1 . 2]" 1
310 1 19 LYS QB 1 20 ILE H 1.800 . 6.000 3.353 2.731 3.886 . 0 0 "[ . 1 . 2]" 1
311 1 19 LYS QD 1 20 ILE H 1.800 . 6.000 5.011 4.125 5.898 . 0 0 "[ . 1 . 2]" 1
312 1 20 ILE H 1 20 ILE MD 1.800 . 6.000 4.095 3.605 4.936 . 0 0 "[ . 1 . 2]" 1
313 1 20 ILE H 1 20 ILE QG 1.800 . 4.500 2.767 2.105 4.237 . 0 0 "[ . 1 . 2]" 1
314 1 20 ILE H 1 20 ILE MG 1.800 . 4.500 2.882 1.988 3.281 . 0 0 "[ . 1 . 2]" 1
315 1 3 HIS HD2 1 20 ILE HA 1.800 . 5.000 3.241 2.197 4.011 . 0 0 "[ . 1 . 2]" 1
316 1 20 ILE HB 1 29 LEU QB 1.800 . 5.000 4.313 2.957 5.017 0.017 7 0 "[ . 1 . 2]" 1
317 1 19 LYS HA 1 20 ILE MG 1.800 . 5.000 3.845 3.393 4.293 . 0 0 "[ . 1 . 2]" 1
318 1 4 ILE MD 1 20 ILE MG 1.800 . 6.000 3.813 1.905 4.714 . 0 0 "[ . 1 . 2]" 1
319 1 20 ILE MG 1 29 LEU HA 1.800 . 6.000 3.573 2.675 5.604 . 0 0 "[ . 1 . 2]" 1
320 1 20 ILE MG 1 29 LEU QB 1.800 . 4.500 3.115 2.272 3.703 . 0 0 "[ . 1 . 2]" 1
321 1 20 ILE MG 1 29 LEU QD 1.800 . 5.000 2.537 1.809 3.421 . 0 0 "[ . 1 . 2]" 1
322 1 18 PHE QB 1 20 ILE MG 1.800 . 5.000 3.541 2.867 4.579 . 0 0 "[ . 1 . 2]" 1
323 1 6 LEU QB 1 20 ILE QG 1.800 . 6.000 4.375 3.316 5.659 . 0 0 "[ . 1 . 2]" 1
324 1 20 ILE MD 1 24 THR HB 1.800 . 4.500 4.205 3.414 4.516 0.016 18 0 "[ . 1 . 2]" 1
325 1 20 ILE MD 1 24 THR MG 1.800 . 5.000 4.029 2.010 5.011 0.011 20 0 "[ . 1 . 2]" 1
326 1 20 ILE MD 1 29 LEU HA 1.800 . 6.000 3.915 3.070 4.613 . 0 0 "[ . 1 . 2]" 1
327 1 20 ILE MD 1 29 LEU QD 1.800 . 5.000 2.723 2.041 3.800 . 0 0 "[ . 1 . 2]" 1
328 1 20 ILE MD 1 29 LEU MD1 1.800 . 6.000 3.063 2.088 4.717 . 0 0 "[ . 1 . 2]" 1
329 1 20 ILE MD 1 29 LEU MD2 1.800 . 6.000 4.045 2.046 5.365 . 0 0 "[ . 1 . 2]" 1
330 1 3 HIS HD2 1 21 LYS H 1.800 . 5.000 3.774 2.901 4.745 . 0 0 "[ . 1 . 2]" 1
331 1 20 ILE HA 1 21 LYS H 1.800 . 3.000 2.509 2.255 2.604 . 0 0 "[ . 1 . 2]" 1
332 1 20 ILE HB 1 21 LYS H 1.800 . 4.500 2.510 1.990 3.944 . 0 0 "[ . 1 . 2]" 1
333 1 20 ILE HG13 1 21 LYS H 1.800 . 5.000 3.264 1.980 4.042 . 0 0 "[ . 1 . 2]" 1
334 1 20 ILE HG12 1 21 LYS H 1.800 . 5.000 4.335 3.004 4.659 . 0 0 "[ . 1 . 2]" 1
335 1 20 ILE MD 1 21 LYS H 1.800 . 6.000 3.173 2.021 3.934 . 0 0 "[ . 1 . 2]" 1
336 1 20 ILE H 1 21 LYS H 1.800 . 6.000 4.415 4.319 4.492 . 0 0 "[ . 1 . 2]" 1
337 1 21 LYS H 1 21 LYS QD 1.800 . 4.500 3.280 1.920 4.054 . 0 0 "[ . 1 . 2]" 1
338 1 21 LYS H 1 21 LYS QE 1.800 . 6.000 4.124 3.801 4.436 . 0 0 "[ . 1 . 2]" 1
339 1 3 HIS HA 1 21 LYS HA 1.800 . 4.500 3.065 2.322 3.773 . 0 0 "[ . 1 . 2]" 1
340 1 3 HIS HD2 1 21 LYS HA 1.800 . 5.000 3.256 2.010 4.436 . 0 0 "[ . 1 . 2]" 1
341 1 4 ILE QG 1 21 LYS HA 1.800 . 5.000 3.941 3.227 4.219 . 0 0 "[ . 1 . 2]" 1
342 1 4 ILE HG13 1 21 LYS HA 1.800 . 6.000 5.741 4.939 6.012 0.012 17 0 "[ . 1 . 2]" 1
343 1 4 ILE HG12 1 21 LYS HA 1.800 . 6.000 4.014 3.271 4.310 . 0 0 "[ . 1 . 2]" 1
344 1 2 ASP QB 1 22 ARG H 1.800 . 6.000 5.141 3.678 5.930 . 0 0 "[ . 1 . 2]" 1
345 1 3 HIS HA 1 22 ARG H 1.800 . 5.000 4.458 3.964 4.907 . 0 0 "[ . 1 . 2]" 1
346 1 4 ILE MG 1 22 ARG H 1.800 . 6.000 3.464 2.789 4.212 . 0 0 "[ . 1 . 2]" 1
347 1 21 LYS HA 1 22 ARG H 1.800 . 3.000 2.331 2.216 2.571 . 0 0 "[ . 1 . 2]" 1
348 1 21 LYS QB 1 22 ARG H 1.800 . 4.500 2.624 2.110 2.927 . 0 0 "[ . 1 . 2]" 1
349 1 22 ARG H 1 22 ARG QG 1.800 . 5.000 3.027 1.964 4.101 . 0 0 "[ . 1 . 2]" 1
350 1 22 ARG H 1 22 ARG QD 1.800 . 6.000 4.303 3.748 4.806 . 0 0 "[ . 1 . 2]" 1
351 1 4 ILE MG 1 22 ARG QD 1.800 . 5.000 4.193 3.518 4.794 . 0 0 "[ . 1 . 2]" 1
352 1 22 ARG QD 1 62 LEU QD 1.800 . 4.000 2.606 1.815 3.635 . 0 0 "[ . 1 . 2]" 1
353 1 22 ARG QD 1 62 LEU HG 1.800 . 5.000 3.290 2.379 5.005 0.005 6 0 "[ . 1 . 2]" 1
354 1 22 ARG QD 1 23 HIS HA 1.800 . 5.000 4.509 3.684 5.014 0.014 18 0 "[ . 1 . 2]" 1
355 1 20 ILE MD 1 23 HIS H 1.800 . 6.000 4.568 4.092 5.187 . 0 0 "[ . 1 . 2]" 1
356 1 21 LYS HA 1 23 HIS H 1.800 . 5.000 4.374 4.031 4.655 . 0 0 "[ . 1 . 2]" 1
357 1 21 LYS QB 1 23 HIS H 1.800 . 5.000 3.264 2.434 3.765 . 0 0 "[ . 1 . 2]" 1
358 1 22 ARG HA 1 23 HIS H 1.800 . 5.000 2.714 2.542 2.964 . 0 0 "[ . 1 . 2]" 1
359 1 22 ARG HB3 1 23 HIS H 1.800 . 5.000 4.491 4.266 4.669 . 0 0 "[ . 1 . 2]" 1
360 1 22 ARG HB2 1 23 HIS H 1.800 . 5.000 4.530 4.385 4.656 . 0 0 "[ . 1 . 2]" 1
361 1 22 ARG H 1 23 HIS H 1.800 . 5.000 3.263 2.892 3.538 . 0 0 "[ . 1 . 2]" 1
362 1 23 HIS H 1 23 HIS HD2 1.800 . 6.000 5.206 4.173 5.995 . 0 0 "[ . 1 . 2]" 1
363 1 23 HIS H 1 24 THR HB 1.800 . 5.500 4.744 3.856 5.226 . 0 0 "[ . 1 . 2]" 1
364 1 23 HIS H 1 24 THR H 1.800 . 3.500 2.221 2.031 2.671 . 0 0 "[ . 1 . 2]" 1
365 1 23 HIS H 1 58 THR MG 1.800 . 6.000 5.986 5.779 6.047 0.047 16 0 "[ . 1 . 2]" 1
366 1 21 LYS QD 1 23 HIS QB 1.800 . 4.500 3.299 1.990 4.516 0.016 4 0 "[ . 1 . 2]" 1
367 1 21 LYS QG 1 23 HIS QB 1.800 . 5.500 3.533 2.459 4.697 . 0 0 "[ . 1 . 2]" 1
368 1 21 LYS QE 1 23 HIS HB3 1.800 . 5.000 4.329 3.251 5.001 0.001 4 0 "[ . 1 . 2]" 1
369 1 21 LYS QE 1 23 HIS HB2 1.800 . 5.000 4.524 3.704 5.004 0.004 17 0 "[ . 1 . 2]" 1
370 1 23 HIS QB 1 24 THR MG 1.800 . 4.500 3.816 3.173 4.501 0.001 5 0 "[ . 1 . 2]" 1
371 1 21 LYS QB 1 24 THR H 1.800 . 5.500 5.113 3.924 5.492 . 0 0 "[ . 1 . 2]" 1
372 1 21 LYS QG 1 24 THR H 1.800 . 6.000 3.965 3.350 5.918 . 0 0 "[ . 1 . 2]" 1
373 1 21 LYS QD 1 24 THR H 1.800 . 6.000 4.346 2.998 5.659 . 0 0 "[ . 1 . 2]" 1
374 1 22 ARG H 1 24 THR H 1.800 . 5.500 5.336 4.974 5.543 0.043 6 0 "[ . 1 . 2]" 1
375 1 23 HIS HA 1 24 THR H 1.800 . 5.000 2.901 2.797 3.037 . 0 0 "[ . 1 . 2]" 1
376 1 23 HIS HB3 1 24 THR H 1.800 . 6.000 4.279 4.161 4.436 . 0 0 "[ . 1 . 2]" 1
377 1 23 HIS HB2 1 24 THR H 1.800 . 6.000 4.325 4.198 4.531 . 0 0 "[ . 1 . 2]" 1
378 1 24 THR H 1 24 THR HB 1.800 . 4.000 3.628 3.299 3.881 . 0 0 "[ . 1 . 2]" 1
379 1 24 THR H 1 24 THR MG 1.800 . 5.000 3.341 2.310 3.988 . 0 0 "[ . 1 . 2]" 1
380 1 24 THR H 1 58 THR HA 1.800 . 6.000 5.638 5.314 5.877 . 0 0 "[ . 1 . 2]" 1
381 1 24 THR H 1 58 THR MG 1.800 . 6.000 4.219 3.861 4.500 . 0 0 "[ . 1 . 2]" 1
382 1 24 THR HA 1 25 PRO HG3 1.800 . 5.500 4.337 4.009 4.584 . 0 0 "[ . 1 . 2]" 1
383 1 24 THR HA 1 25 PRO HG2 1.800 . 5.500 4.512 4.392 4.645 . 0 0 "[ . 1 . 2]" 1
384 1 24 THR HA 1 25 PRO HD3 1.800 . 4.000 2.192 1.898 2.429 . 0 0 "[ . 1 . 2]" 1
385 1 24 THR HA 1 25 PRO HD2 1.800 . 4.000 2.550 2.226 2.941 . 0 0 "[ . 1 . 2]" 1
386 1 24 THR HA 1 58 THR MG 1.800 . 5.000 3.819 3.395 4.592 . 0 0 "[ . 1 . 2]" 1
387 1 21 LYS QD 1 24 THR HB 1.800 . 5.000 4.007 2.103 5.015 0.015 1 0 "[ . 1 . 2]" 1
388 1 21 LYS H 1 24 THR HB 1.800 . 6.000 5.657 4.942 6.013 0.013 10 0 "[ . 1 . 2]" 1
389 1 24 THR HB 1 28 LYS QB 1.800 . 5.000 3.211 2.241 5.023 0.023 5 0 "[ . 1 . 2]" 1
390 1 24 THR HB 1 28 LYS QG 1.800 . 5.000 3.062 1.922 4.378 . 0 0 "[ . 1 . 2]" 1
391 1 24 THR MG 1 25 PRO QD 1.800 . 5.000 2.745 1.956 3.739 . 0 0 "[ . 1 . 2]" 1
392 1 24 THR MG 1 28 LYS H 1.800 . 6.000 4.873 3.743 5.747 . 0 0 "[ . 1 . 2]" 1
393 1 24 THR MG 1 28 LYS QD 1.800 . 5.000 3.155 2.011 4.716 . 0 0 "[ . 1 . 2]" 1
394 1 24 THR MG 1 28 LYS QE 1.800 . 6.000 3.949 2.619 5.035 . 0 0 "[ . 1 . 2]" 1
395 1 25 PRO HA 1 26 LEU HG 1.800 . 5.000 4.636 4.509 4.890 . 0 0 "[ . 1 . 2]" 1
396 1 25 PRO HA 1 58 THR HA 1.800 . 4.500 2.695 2.409 3.103 . 0 0 "[ . 1 . 2]" 1
397 1 25 PRO HA 1 58 THR MG 1.800 . 5.000 2.108 1.876 3.734 . 0 0 "[ . 1 . 2]" 1
398 1 25 PRO QB 1 26 LEU QD 1.800 . 5.500 4.887 4.730 5.018 . 0 0 "[ . 1 . 2]" 1
399 1 25 PRO QB 1 56 THR HB 1.800 . 5.000 4.700 4.246 5.012 0.012 19 0 "[ . 1 . 2]" 1
400 1 25 PRO QB 1 58 THR MG 1.800 . 5.000 2.424 1.932 4.515 . 0 0 "[ . 1 . 2]" 1
401 1 25 PRO HA 1 26 LEU H 1.800 . 3.500 2.370 2.288 2.474 . 0 0 "[ . 1 . 2]" 1
402 1 25 PRO QB 1 26 LEU H 1.800 . 4.000 2.668 2.412 2.872 . 0 0 "[ . 1 . 2]" 1
403 1 25 PRO HB3 1 26 LEU H 1.800 . 5.000 3.240 2.893 3.613 . 0 0 "[ . 1 . 2]" 1
404 1 25 PRO HB2 1 26 LEU H 1.800 . 5.000 2.970 2.468 3.474 . 0 0 "[ . 1 . 2]" 1
405 1 26 LEU H 1 26 LEU QB 1.800 . 4.500 2.174 2.104 2.239 . 0 0 "[ . 1 . 2]" 1
406 1 26 LEU H 1 26 LEU QD 1.800 . 5.000 3.402 3.314 3.478 . 0 0 "[ . 1 . 2]" 1
407 1 26 LEU H 1 26 LEU HG 1.800 . 4.500 2.974 2.755 3.276 . 0 0 "[ . 1 . 2]" 1
408 1 26 LEU H 1 27 SER HA 1.800 . 5.500 5.222 5.106 5.306 . 0 0 "[ . 1 . 2]" 1
409 1 26 LEU H 1 57 ASP H 1.800 . 6.000 3.302 3.080 3.747 . 0 0 "[ . 1 . 2]" 1
410 1 26 LEU H 1 58 THR HA 1.800 . 5.000 3.740 3.523 3.946 . 0 0 "[ . 1 . 2]" 1
411 1 26 LEU H 1 58 THR HB 1.800 . 6.000 5.991 5.723 6.032 0.032 11 0 "[ . 1 . 2]" 1
412 1 26 LEU H 1 58 THR MG 1.800 . 5.500 3.901 3.524 5.421 . 0 0 "[ . 1 . 2]" 1
413 1 26 LEU HA 1 29 LEU QB 1.800 . 4.500 3.323 2.510 4.511 0.011 6 0 "[ . 1 . 2]" 1
414 1 26 LEU QD 1 29 LEU H 1.800 . 6.000 3.912 3.658 4.175 . 0 0 "[ . 1 . 2]" 1
415 1 26 LEU QD 1 29 LEU MD1 1.800 . 6.000 3.525 1.847 4.440 . 0 0 "[ . 1 . 2]" 1
416 1 26 LEU QD 1 29 LEU MD2 1.800 . 6.000 2.920 1.844 4.608 . 0 0 "[ . 1 . 2]" 1
417 1 26 LEU QD 1 57 ASP QB 1.800 . 4.500 1.921 1.787 3.805 0.013 13 0 "[ . 1 . 2]" 1
418 1 26 LEU QD 1 57 ASP HB3 1.800 . 5.000 2.173 1.909 4.247 . 0 0 "[ . 1 . 2]" 1
419 1 26 LEU QD 1 57 ASP HB2 1.800 . 5.000 2.196 1.833 4.296 . 0 0 "[ . 1 . 2]" 1
420 1 26 LEU QD 1 58 THR HA 1.800 . 6.000 4.757 4.138 5.052 . 0 0 "[ . 1 . 2]" 1
421 1 26 LEU QD 1 61 GLN QB 1.800 . 5.000 3.112 2.527 3.579 . 0 0 "[ . 1 . 2]" 1
422 1 26 LEU QD 1 61 GLN QG 1.800 . 5.000 3.442 2.162 4.380 . 0 0 "[ . 1 . 2]" 1
423 1 25 PRO HA 1 27 SER H 1.800 . 5.000 4.053 3.945 4.213 . 0 0 "[ . 1 . 2]" 1
424 1 25 PRO QB 1 27 SER H 1.800 . 4.500 2.331 2.202 2.484 . 0 0 "[ . 1 . 2]" 1
425 1 25 PRO HB3 1 27 SER H 1.800 . 5.000 3.720 3.281 4.111 . 0 0 "[ . 1 . 2]" 1
426 1 25 PRO HB2 1 27 SER H 1.800 . 5.000 2.364 2.213 2.570 . 0 0 "[ . 1 . 2]" 1
427 1 26 LEU HA 1 27 SER H 1.800 . 5.000 3.451 3.393 3.490 . 0 0 "[ . 1 . 2]" 1
428 1 26 LEU QB 1 27 SER H 1.800 . 5.000 3.069 2.948 3.215 . 0 0 "[ . 1 . 2]" 1
429 1 26 LEU HB3 1 27 SER H 1.800 . 6.000 3.682 3.579 3.855 . 0 0 "[ . 1 . 2]" 1
430 1 26 LEU HB2 1 27 SER H 1.800 . 6.000 3.286 3.137 3.444 . 0 0 "[ . 1 . 2]" 1
431 1 26 LEU HG 1 27 SER H 1.800 . 5.000 5.006 4.955 5.045 0.045 10 0 "[ . 1 . 2]" 1
432 1 26 LEU QD 1 27 SER H 1.800 . 6.000 4.329 4.256 4.408 . 0 0 "[ . 1 . 2]" 1
433 1 26 LEU H 1 27 SER H 1.800 . 4.000 2.721 2.666 2.801 . 0 0 "[ . 1 . 2]" 1
434 1 27 SER HA 1 30 MET QB 1.800 . 4.000 2.536 1.968 3.807 . 0 0 "[ . 1 . 2]" 1
435 1 27 SER HA 1 31 LYS QG 1.800 . 6.000 4.028 3.501 5.394 . 0 0 "[ . 1 . 2]" 1
436 1 27 SER HA 1 55 GLU QB 1.800 . 4.500 2.185 1.922 2.856 . 0 0 "[ . 1 . 2]" 1
437 1 20 ILE MD 1 28 LYS H 1.800 . 6.000 4.747 3.538 5.629 . 0 0 "[ . 1 . 2]" 1
438 1 25 PRO HA 1 28 LYS H 1.800 . 6.000 5.128 4.966 5.363 . 0 0 "[ . 1 . 2]" 1
439 1 27 SER HA 1 28 LYS H 1.800 . 4.500 3.531 3.511 3.557 . 0 0 "[ . 1 . 2]" 1
440 1 27 SER QB 1 28 LYS H 1.800 . 5.000 2.973 2.615 3.529 . 0 0 "[ . 1 . 2]" 1
441 1 27 SER H 1 28 LYS H 1.800 . 3.500 2.820 2.764 2.871 . 0 0 "[ . 1 . 2]" 1
442 1 28 LYS H 1 28 LYS QB 1.800 . 3.500 2.165 2.056 2.534 . 0 0 "[ . 1 . 2]" 1
443 1 28 LYS H 1 28 LYS HB3 1.800 . 4.000 3.182 2.484 3.603 . 0 0 "[ . 1 . 2]" 1
444 1 28 LYS H 1 28 LYS HB2 1.800 . 4.000 2.276 2.079 3.639 . 0 0 "[ . 1 . 2]" 1
445 1 28 LYS H 1 28 LYS HG3 1.800 . 4.500 4.022 2.308 4.482 . 0 0 "[ . 1 . 2]" 1
446 1 28 LYS H 1 28 LYS HG2 1.800 . 4.500 3.843 2.232 4.532 0.032 2 0 "[ . 1 . 2]" 1
447 1 28 LYS H 1 28 LYS QE 1.800 . 6.000 4.561 2.290 5.338 . 0 0 "[ . 1 . 2]" 1
448 1 28 LYS H 1 30 MET H 1.800 . 5.000 4.051 3.790 4.290 . 0 0 "[ . 1 . 2]" 1
449 1 28 LYS HA 1 31 LYS QB 1.800 . 4.000 3.113 2.472 3.677 . 0 0 "[ . 1 . 2]" 1
450 1 21 LYS QE 1 28 LYS QE 1.800 . 4.500 4.384 3.943 4.526 0.026 2 0 "[ . 1 . 2]" 1
451 1 21 LYS QD 1 28 LYS QG 1.800 . 5.000 4.650 2.735 5.036 0.036 10 0 "[ . 1 . 2]" 1
452 1 24 THR MG 1 28 LYS QB 1.800 . 5.000 3.461 1.978 4.466 . 0 0 "[ . 1 . 2]" 1
453 1 24 THR MG 1 28 LYS QG 1.800 . 5.000 2.688 1.918 3.677 . 0 0 "[ . 1 . 2]" 1
454 1 26 LEU HA 1 29 LEU H 1.800 . 4.500 3.351 2.963 3.611 . 0 0 "[ . 1 . 2]" 1
455 1 28 LYS HA 1 29 LEU H 1.800 . 5.000 3.571 3.537 3.585 . 0 0 "[ . 1 . 2]" 1
456 1 28 LYS HB3 1 29 LEU H 1.800 . 4.500 2.735 2.161 3.888 . 0 0 "[ . 1 . 2]" 1
457 1 28 LYS HB2 1 29 LEU H 1.800 . 4.500 3.069 2.276 3.893 . 0 0 "[ . 1 . 2]" 1
458 1 28 LYS QG 1 29 LEU H 1.800 . 5.000 4.035 1.955 4.457 . 0 0 "[ . 1 . 2]" 1
459 1 28 LYS H 1 29 LEU H 1.800 . 3.500 2.815 2.442 2.982 . 0 0 "[ . 1 . 2]" 1
460 1 29 LEU H 1 29 LEU HG 1.800 . 4.500 4.317 2.003 4.515 0.015 19 0 "[ . 1 . 2]" 1
461 1 29 LEU H 1 29 LEU MD1 1.800 . 6.000 4.101 3.555 4.324 . 0 0 "[ . 1 . 2]" 1
462 1 29 LEU H 1 29 LEU MD2 1.800 . 6.000 4.120 3.038 4.365 . 0 0 "[ . 1 . 2]" 1
463 1 29 LEU H 1 32 ALA H 1.800 . 6.000 4.895 4.720 5.073 . 0 0 "[ . 1 . 2]" 1
464 1 29 LEU HA 1 32 ALA MB 1.800 . 4.500 2.799 2.260 3.534 . 0 0 "[ . 1 . 2]" 1
465 1 29 LEU HA 1 31 LYS QB 1.800 . 6.000 5.213 4.831 5.549 . 0 0 "[ . 1 . 2]" 1
466 1 29 LEU QB 1 70 ILE MD 1.800 . 6.000 4.945 3.923 5.794 . 0 0 "[ . 1 . 2]" 1
467 1 18 PHE H 1 29 LEU QD 1.800 . 6.000 4.128 3.226 5.606 . 0 0 "[ . 1 . 2]" 1
468 1 18 PHE QD 1 29 LEU MD1 1.800 . 6.000 3.623 2.148 4.987 . 0 0 "[ . 1 . 2]" 1
469 1 18 PHE QD 1 29 LEU MD2 1.800 . 6.000 4.118 2.108 5.186 . 0 0 "[ . 1 . 2]" 1
470 1 20 ILE H 1 29 LEU QD 1.800 . 6.000 4.263 3.521 5.114 . 0 0 "[ . 1 . 2]" 1
471 1 29 LEU QD 1 30 MET QB 1.800 . 5.000 4.188 3.087 4.972 . 0 0 "[ . 1 . 2]" 1
472 1 29 LEU QD 1 30 MET QG 1.800 . 5.000 4.179 2.273 4.989 . 0 0 "[ . 1 . 2]" 1
473 1 29 LEU QD 1 70 ILE HB 1.800 . 6.000 5.097 4.069 6.000 0.000 16 0 "[ . 1 . 2]" 1
474 1 29 LEU QD 1 70 ILE MG 1.800 . 5.000 4.548 3.882 4.985 . 0 0 "[ . 1 . 2]" 1
475 1 29 LEU QD 1 33 TYR HB3 1.800 . 5.000 3.738 3.170 4.833 . 0 0 "[ . 1 . 2]" 1
476 1 29 LEU QD 1 33 TYR HB2 1.800 . 5.000 2.976 2.186 3.937 . 0 0 "[ . 1 . 2]" 1
477 1 29 LEU QD 1 68 ASP QB 1.800 . 6.000 5.391 4.498 5.753 . 0 0 "[ . 1 . 2]" 1
478 1 6 LEU HB3 1 29 LEU QD 1.800 . 6.000 3.001 2.179 4.100 . 0 0 "[ . 1 . 2]" 1
479 1 6 LEU HB2 1 29 LEU QD 1.800 . 6.000 2.861 2.053 4.107 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU HA 1 30 MET H 1.800 . 6.000 4.085 3.669 4.589 . 0 0 "[ . 1 . 2]" 1
481 1 26 LEU QD 1 30 MET H 1.800 . 6.000 3.813 3.378 4.216 . 0 0 "[ . 1 . 2]" 1
482 1 27 SER HA 1 30 MET H 1.800 . 4.500 3.570 3.261 3.951 . 0 0 "[ . 1 . 2]" 1
483 1 29 LEU HA 1 30 MET H 1.800 . 5.000 3.545 3.497 3.578 . 0 0 "[ . 1 . 2]" 1
484 1 29 LEU QB 1 30 MET H 1.800 . 4.500 2.585 2.317 3.569 . 0 0 "[ . 1 . 2]" 1
485 1 29 LEU QD 1 30 MET H 1.800 . 4.500 3.449 2.593 4.083 . 0 0 "[ . 1 . 2]" 1
486 1 29 LEU MD1 1 30 MET H 1.800 . 5.000 4.575 2.737 4.978 . 0 0 "[ . 1 . 2]" 1
487 1 29 LEU MD2 1 30 MET H 1.800 . 5.000 3.732 2.607 4.611 . 0 0 "[ . 1 . 2]" 1
488 1 29 LEU HG 1 30 MET H 1.800 . 5.000 4.311 2.504 4.977 . 0 0 "[ . 1 . 2]" 1
489 1 29 LEU H 1 30 MET H 1.800 . 3.500 2.641 2.480 2.775 . 0 0 "[ . 1 . 2]" 1
490 1 30 MET H 1 30 MET QG 1.800 . 4.000 3.500 2.309 4.008 0.008 18 0 "[ . 1 . 2]" 1
491 1 30 MET H 1 30 MET HG3 1.800 . 4.500 4.025 2.362 4.503 0.003 8 0 "[ . 1 . 2]" 1
492 1 30 MET H 1 30 MET HG2 1.800 . 4.500 3.930 2.820 4.514 0.014 18 0 "[ . 1 . 2]" 1
493 1 30 MET H 1 31 LYS H 1.800 . 4.000 2.814 2.614 2.978 . 0 0 "[ . 1 . 2]" 1
494 1 30 MET H 1 55 GLU QB 1.800 . 5.000 4.561 4.034 5.017 0.017 6 0 "[ . 1 . 2]" 1
495 1 30 MET HA 1 33 TYR HB3 1.800 . 4.500 2.815 2.414 3.205 . 0 0 "[ . 1 . 2]" 1
496 1 30 MET HA 1 33 TYR HB2 1.800 . 4.500 3.795 3.223 4.292 . 0 0 "[ . 1 . 2]" 1
497 1 29 LEU QD 1 30 MET HA 1.800 . 5.000 3.397 2.546 4.320 . 0 0 "[ . 1 . 2]" 1
498 1 30 MET HA 1 46 PHE QD 1.800 . 6.000 4.837 4.128 5.475 . 0 0 "[ . 1 . 2]" 1
499 1 30 MET QB 1 55 GLU QB 1.800 . 5.000 2.558 2.064 3.087 . 0 0 "[ . 1 . 2]" 1
500 1 30 MET QG 1 44 ILE HB 1.800 . 5.000 4.018 2.248 4.989 . 0 0 "[ . 1 . 2]" 1
501 1 28 LYS HA 1 31 LYS H 1.800 . 4.500 3.889 3.464 4.108 . 0 0 "[ . 1 . 2]" 1
502 1 28 LYS QE 1 31 LYS H 1.800 . 6.000 5.909 5.436 6.036 0.036 5 0 "[ . 1 . 2]" 1
503 1 30 MET HA 1 31 LYS H 1.800 . 5.000 3.562 3.525 3.580 . 0 0 "[ . 1 . 2]" 1
504 1 30 MET QG 1 31 LYS H 1.800 . 4.500 4.175 2.039 4.480 . 0 0 "[ . 1 . 2]" 1
505 1 31 LYS H 1 31 LYS QD 1.800 . 4.500 3.882 3.181 4.472 . 0 0 "[ . 1 . 2]" 1
506 1 31 LYS H 1 31 LYS QG 1.800 . 4.500 2.807 2.221 3.373 . 0 0 "[ . 1 . 2]" 1
507 1 31 LYS H 1 32 ALA H 1.800 . 3.500 2.774 2.618 2.915 . 0 0 "[ . 1 . 2]" 1
508 1 31 LYS H 1 33 TYR H 1.800 . 6.000 4.104 3.846 4.340 . 0 0 "[ . 1 . 2]" 1
509 1 31 LYS HA 1 34 SER QB 1.800 . 4.000 3.292 2.786 3.971 . 0 0 "[ . 1 . 2]" 1
510 1 31 LYS HA 1 34 SER HB3 1.800 . 5.000 3.998 2.870 5.032 0.032 10 0 "[ . 1 . 2]" 1
511 1 31 LYS HA 1 34 SER HB2 1.800 . 5.000 3.825 2.833 4.864 . 0 0 "[ . 1 . 2]" 1
512 1 31 LYS HA 1 34 SER H 1.800 . 4.500 3.706 3.543 4.036 . 0 0 "[ . 1 . 2]" 1
513 1 31 LYS QB 1 32 ALA HA 1.800 . 6.000 3.800 3.709 3.903 . 0 0 "[ . 1 . 2]" 1
514 1 31 LYS QG 1 35 GLU QB 1.800 . 5.000 4.855 3.802 5.041 0.041 13 0 "[ . 1 . 2]" 1
515 1 31 LYS QE 1 41 MET QB 1.800 . 6.000 3.997 2.023 5.967 . 0 0 "[ . 1 . 2]" 1
516 1 31 LYS QE 1 41 MET HG3 1.800 . 5.000 4.058 2.301 4.996 . 0 0 "[ . 1 . 2]" 1
517 1 31 LYS QE 1 41 MET HG2 1.800 . 5.000 4.184 3.000 4.926 . 0 0 "[ . 1 . 2]" 1
518 1 29 LEU HA 1 32 ALA H 1.800 . 4.500 3.671 3.263 3.939 . 0 0 "[ . 1 . 2]" 1
519 1 30 MET HA 1 32 ALA H 1.800 . 6.000 4.737 4.371 5.034 . 0 0 "[ . 1 . 2]" 1
520 1 31 LYS HA 1 32 ALA H 1.800 . 4.500 3.565 3.533 3.581 . 0 0 "[ . 1 . 2]" 1
521 1 31 LYS QB 1 32 ALA H 1.800 . 4.000 2.524 2.355 2.803 . 0 0 "[ . 1 . 2]" 1
522 1 32 ALA H 1 32 ALA MB 1.800 . 3.500 2.167 2.093 2.256 . 0 0 "[ . 1 . 2]" 1
523 1 32 ALA H 1 33 TYR H 1.800 . 4.000 2.707 2.521 2.775 . 0 0 "[ . 1 . 2]" 1
524 1 32 ALA HA 1 35 GLU QB 1.800 . 4.000 2.868 2.368 3.416 . 0 0 "[ . 1 . 2]" 1
525 1 32 ALA HA 1 35 GLU HB3 1.800 . 5.000 3.202 2.421 4.380 . 0 0 "[ . 1 . 2]" 1
526 1 32 ALA HA 1 35 GLU HB2 1.800 . 5.000 3.550 2.848 4.269 . 0 0 "[ . 1 . 2]" 1
527 1 18 PHE QD 1 32 ALA MB 1.800 . 6.000 3.733 2.929 4.940 . 0 0 "[ . 1 . 2]" 1
528 1 18 PHE QE 1 32 ALA MB 1.800 . 4.500 2.807 1.944 4.474 . 0 0 "[ . 1 . 2]" 1
529 1 29 LEU QB 1 32 ALA MB 1.800 . 6.000 4.525 3.662 5.098 . 0 0 "[ . 1 . 2]" 1
530 1 32 ALA MB 1 33 TYR HA 1.800 . 6.000 3.816 3.714 3.887 . 0 0 "[ . 1 . 2]" 1
531 1 8 VAL QG 1 33 TYR H 1.800 . 6.000 5.328 4.934 5.970 . 0 0 "[ . 1 . 2]" 1
532 1 29 LEU HA 1 33 TYR H 1.800 . 5.000 3.886 3.557 4.148 . 0 0 "[ . 1 . 2]" 1
533 1 29 LEU QD 1 33 TYR H 1.800 . 6.000 4.050 3.373 4.656 . 0 0 "[ . 1 . 2]" 1
534 1 30 MET HA 1 33 TYR H 1.800 . 5.000 3.659 3.385 3.917 . 0 0 "[ . 1 . 2]" 1
535 1 30 MET QG 1 33 TYR H 1.800 . 6.000 5.385 4.969 5.781 . 0 0 "[ . 1 . 2]" 1
536 1 31 LYS QB 1 33 TYR H 1.800 . 6.000 4.600 4.430 4.852 . 0 0 "[ . 1 . 2]" 1
537 1 32 ALA HA 1 33 TYR H 1.800 . 5.000 3.538 3.509 3.562 . 0 0 "[ . 1 . 2]" 1
538 1 32 ALA MB 1 33 TYR H 1.800 . 4.000 2.659 2.479 2.836 . 0 0 "[ . 1 . 2]" 1
539 1 33 TYR H 1 33 TYR QD 1.800 . 5.000 4.206 4.148 4.230 . 0 0 "[ . 1 . 2]" 1
540 1 18 PHE QD 1 33 TYR HA 1.800 . 5.000 4.153 3.672 4.827 . 0 0 "[ . 1 . 2]" 1
541 1 18 PHE QE 1 33 TYR HA 1.800 . 4.000 2.775 1.979 3.707 . 0 0 "[ . 1 . 2]" 1
542 1 33 TYR HA 1 33 TYR QD 1.800 . 4.500 2.803 2.430 3.128 . 0 0 "[ . 1 . 2]" 1
543 1 33 TYR HA 1 36 ARG QB 1.800 . 4.000 2.937 2.484 3.520 . 0 0 "[ . 1 . 2]" 1
544 1 33 TYR HA 1 36 ARG HB3 1.800 . 4.500 3.724 2.939 4.513 0.013 10 0 "[ . 1 . 2]" 1
545 1 33 TYR HA 1 36 ARG HB2 1.800 . 4.500 3.293 2.514 4.519 0.019 16 0 "[ . 1 . 2]" 1
546 1 33 TYR HA 1 36 ARG QG 1.800 . 6.000 4.342 1.913 5.230 . 0 0 "[ . 1 . 2]" 1
547 1 18 PHE QD 1 33 TYR HB3 1.800 . 6.000 5.384 4.739 5.865 . 0 0 "[ . 1 . 2]" 1
548 1 18 PHE QD 1 33 TYR HB2 1.800 . 6.000 3.859 3.043 4.439 . 0 0 "[ . 1 . 2]" 1
549 1 33 TYR HB3 1 46 PHE QE 1.800 . 6.000 4.014 3.402 4.414 . 0 0 "[ . 1 . 2]" 1
550 1 33 TYR HB2 1 46 PHE QE 1.800 . 6.000 4.663 4.178 5.182 . 0 0 "[ . 1 . 2]" 1
551 1 33 TYR QE 1 46 PHE QD 1.800 . 6.000 5.933 5.634 6.047 0.047 3 0 "[ . 1 . 2]" 1
552 1 30 MET HA 1 34 SER H 1.800 . 6.000 3.819 3.477 4.126 . 0 0 "[ . 1 . 2]" 1
553 1 32 ALA HA 1 34 SER H 1.800 . 5.000 4.744 4.361 4.994 . 0 0 "[ . 1 . 2]" 1
554 1 32 ALA H 1 34 SER H 1.800 . 5.000 4.369 4.045 4.819 . 0 0 "[ . 1 . 2]" 1
555 1 33 TYR HA 1 34 SER H 1.800 . 4.500 3.565 3.538 3.582 . 0 0 "[ . 1 . 2]" 1
556 1 33 TYR HB3 1 34 SER H 1.800 . 4.500 2.477 2.139 2.738 . 0 0 "[ . 1 . 2]" 1
557 1 33 TYR HB2 1 34 SER H 1.800 . 4.500 3.811 3.545 3.970 . 0 0 "[ . 1 . 2]" 1
558 1 33 TYR QD 1 34 SER H 1.800 . 4.500 3.417 3.052 3.751 . 0 0 "[ . 1 . 2]" 1
559 1 33 TYR H 1 34 SER H 1.800 . 4.000 2.675 2.463 2.930 . 0 0 "[ . 1 . 2]" 1
560 1 34 SER H 1 35 GLU QB 1.800 . 6.000 4.399 4.204 4.537 . 0 0 "[ . 1 . 2]" 1
561 1 34 SER H 1 36 ARG H 1.800 . 5.000 4.205 3.926 4.633 . 0 0 "[ . 1 . 2]" 1
562 1 34 SER H 1 37 GLN H 1.800 . 6.000 4.859 4.639 5.313 . 0 0 "[ . 1 . 2]" 1
563 1 34 SER HA 1 37 GLN QB 1.800 . 4.500 3.085 2.470 4.155 . 0 0 "[ . 1 . 2]" 1
564 1 34 SER HA 1 39 LEU HG 1.800 . 4.500 3.703 3.098 4.491 . 0 0 "[ . 1 . 2]" 1
565 1 34 SER HB3 1 39 LEU HG 1.800 . 6.000 5.183 3.946 5.917 . 0 0 "[ . 1 . 2]" 1
566 1 34 SER HB2 1 39 LEU HG 1.800 . 6.000 5.370 4.470 6.004 0.004 14 0 "[ . 1 . 2]" 1
567 1 34 SER QB 1 44 ILE MD 1.800 . 5.000 2.950 2.366 3.635 . 0 0 "[ . 1 . 2]" 1
568 1 31 LYS QG 1 35 GLU H 1.800 . 6.000 5.410 4.454 5.894 . 0 0 "[ . 1 . 2]" 1
569 1 32 ALA HA 1 35 GLU H 1.800 . 4.500 3.757 3.420 4.052 . 0 0 "[ . 1 . 2]" 1
570 1 32 ALA H 1 35 GLU H 1.800 . 6.000 4.723 4.562 4.841 . 0 0 "[ . 1 . 2]" 1
571 1 33 TYR H 1 35 GLU H 1.800 . 5.000 4.032 3.812 4.275 . 0 0 "[ . 1 . 2]" 1
572 1 34 SER HA 1 35 GLU H 1.800 . 5.000 3.536 3.480 3.573 . 0 0 "[ . 1 . 2]" 1
573 1 34 SER QB 1 35 GLU H 1.800 . 4.500 2.877 2.391 3.459 . 0 0 "[ . 1 . 2]" 1
574 1 34 SER H 1 35 GLU H 1.800 . 3.500 2.642 2.457 2.803 . 0 0 "[ . 1 . 2]" 1
575 1 35 GLU H 1 35 GLU QB 1.800 . 3.500 2.204 2.077 2.306 . 0 0 "[ . 1 . 2]" 1
576 1 35 GLU H 1 35 GLU HB3 1.800 . 4.000 2.871 2.545 3.571 . 0 0 "[ . 1 . 2]" 1
577 1 35 GLU H 1 35 GLU HB2 1.800 . 4.000 2.321 2.097 2.535 . 0 0 "[ . 1 . 2]" 1
578 1 35 GLU H 1 35 GLU QG 1.800 . 4.000 3.801 2.529 4.019 0.019 8 0 "[ . 1 . 2]" 1
579 1 35 GLU H 1 36 ARG H 1.800 . 3.500 2.638 2.486 2.784 . 0 0 "[ . 1 . 2]" 1
580 1 35 GLU HA 1 38 GLY QA 1.800 . 5.000 4.193 3.263 4.580 . 0 0 "[ . 1 . 2]" 1
581 1 32 ALA MB 1 35 GLU QB 1.800 . 6.000 4.214 3.738 4.654 . 0 0 "[ . 1 . 2]" 1
582 1 33 TYR HA 1 36 ARG H 1.800 . 4.500 3.730 3.426 4.197 . 0 0 "[ . 1 . 2]" 1
583 1 34 SER HA 1 36 ARG H 1.800 . 6.000 4.600 4.313 5.085 . 0 0 "[ . 1 . 2]" 1
584 1 35 GLU HA 1 36 ARG H 1.800 . 4.500 3.551 3.530 3.582 . 0 0 "[ . 1 . 2]" 1
585 1 35 GLU QB 1 36 ARG H 1.800 . 4.000 2.559 2.211 2.762 . 0 0 "[ . 1 . 2]" 1
586 1 36 ARG H 1 36 ARG QG 1.800 . 4.000 3.401 2.308 4.026 0.026 12 0 "[ . 1 . 2]" 1
587 1 36 ARG H 1 36 ARG QD 1.800 . 5.000 4.369 3.620 4.656 . 0 0 "[ . 1 . 2]" 1
588 1 36 ARG H 1 37 GLN H 1.800 . 3.500 2.717 2.508 2.973 . 0 0 "[ . 1 . 2]" 1
589 1 36 ARG QB 1 37 GLN HA 1.800 . 5.000 3.916 3.755 4.431 . 0 0 "[ . 1 . 2]" 1
590 1 36 ARG QG 1 37 GLN H 1.800 . 5.000 4.190 2.165 4.621 . 0 0 "[ . 1 . 2]" 1
591 1 33 TYR HA 1 36 ARG QD 1.800 . 6.000 4.356 1.957 5.655 . 0 0 "[ . 1 . 2]" 1
592 1 34 SER HA 1 37 GLN H 1.800 . 5.000 3.740 3.432 4.230 . 0 0 "[ . 1 . 2]" 1
593 1 35 GLU H 1 37 GLN H 1.800 . 5.000 4.161 3.828 4.650 . 0 0 "[ . 1 . 2]" 1
594 1 36 ARG HA 1 37 GLN H 1.800 . 4.500 3.547 3.512 3.583 . 0 0 "[ . 1 . 2]" 1
595 1 36 ARG QB 1 37 GLN H 1.800 . 4.500 2.683 2.411 3.489 . 0 0 "[ . 1 . 2]" 1
596 1 36 ARG QD 1 37 GLN H 1.800 . 6.000 4.643 3.714 5.307 . 0 0 "[ . 1 . 2]" 1
597 1 37 GLN H 1 37 GLN QG 1.800 . 4.500 3.365 2.540 4.027 . 0 0 "[ . 1 . 2]" 1
598 1 37 GLN H 1 38 GLY H 1.800 . 3.500 2.858 2.489 3.038 . 0 0 "[ . 1 . 2]" 1
599 1 16 VAL QG 1 37 GLN QE 1.800 . 5.000 3.152 1.938 4.710 . 0 0 "[ . 1 . 2]" 1
600 1 16 VAL MG1 1 37 GLN QE 1.800 . 6.000 4.364 2.497 5.956 . 0 0 "[ . 1 . 2]" 1
601 1 16 VAL MG2 1 37 GLN QE 1.800 . 6.000 3.381 1.958 4.938 . 0 0 "[ . 1 . 2]" 1
602 1 37 GLN HA 1 37 GLN QE 1.800 . 6.000 3.534 2.023 4.738 . 0 0 "[ . 1 . 2]" 1
603 1 37 GLN HB3 1 37 GLN QE 1.800 . 5.000 3.758 2.732 4.211 . 0 0 "[ . 1 . 2]" 1
604 1 37 GLN HB2 1 37 GLN QE 1.800 . 5.000 3.633 2.325 4.323 . 0 0 "[ . 1 . 2]" 1
605 1 37 GLN H 1 37 GLN QE 1.800 . 6.000 4.588 2.562 5.622 . 0 0 "[ . 1 . 2]" 1
606 1 14 SER QB 1 37 GLN QG 1.800 . 6.000 4.677 3.351 5.528 . 0 0 "[ . 1 . 2]" 1
607 1 35 GLU HA 1 38 GLY H 1.800 . 4.500 4.191 3.541 4.456 . 0 0 "[ . 1 . 2]" 1
608 1 37 GLN HA 1 38 GLY H 1.800 . 5.000 3.578 3.567 3.590 . 0 0 "[ . 1 . 2]" 1
609 1 37 GLN HB3 1 38 GLY H 1.800 . 5.000 2.472 2.078 3.457 . 0 0 "[ . 1 . 2]" 1
610 1 37 GLN HB2 1 38 GLY H 1.800 . 5.000 2.720 2.101 3.420 . 0 0 "[ . 1 . 2]" 1
611 1 37 GLN QG 1 38 GLY H 1.800 . 6.000 4.017 3.697 4.341 . 0 0 "[ . 1 . 2]" 1
612 1 38 GLY H 1 39 LEU HA 1.800 . 6.000 4.491 4.293 4.731 . 0 0 "[ . 1 . 2]" 1
613 1 38 GLY H 1 39 LEU H 1.800 . 3.500 2.008 1.891 2.392 . 0 0 "[ . 1 . 2]" 1
614 1 38 GLY H 1 40 SER H 1.800 . 6.000 6.028 5.162 6.123 0.123 15 0 "[ . 1 . 2]" 1
615 1 38 GLY H 1 44 ILE MD 1.800 . 6.000 5.871 5.629 5.998 . 0 0 "[ . 1 . 2]" 1
616 1 35 GLU HA 1 39 LEU H 1.800 . 4.500 4.060 3.651 4.500 . 0 0 "[ . 1 . 2]" 1
617 1 37 GLN HA 1 39 LEU H 1.800 . 6.000 5.469 4.838 5.741 . 0 0 "[ . 1 . 2]" 1
618 1 38 GLY QA 1 39 LEU H 1.800 . 4.500 2.702 2.561 2.939 . 0 0 "[ . 1 . 2]" 1
619 1 39 LEU H 1 39 LEU QB 1.800 . 4.000 2.640 2.189 2.795 . 0 0 "[ . 1 . 2]" 1
620 1 39 LEU H 1 39 LEU HG 1.800 . 4.000 2.898 1.978 4.062 0.062 20 0 "[ . 1 . 2]" 1
621 1 38 GLY H 1 39 LEU QD 1.800 . 5.000 3.176 2.023 4.131 . 0 0 "[ . 1 . 2]" 1
622 1 39 LEU HA 1 40 SER H 1.800 . 4.000 2.870 2.609 3.557 . 0 0 "[ . 1 . 2]" 1
623 1 39 LEU QB 1 40 SER H 1.800 . 4.500 1.911 1.775 2.016 0.025 20 0 "[ . 1 . 2]" 1
624 1 39 LEU QD 1 40 SER H 1.800 . 5.000 3.405 2.650 3.583 . 0 0 "[ . 1 . 2]" 1
625 1 39 LEU H 1 40 SER H 1.800 . 5.000 4.215 2.870 4.549 . 0 0 "[ . 1 . 2]" 1
626 1 40 SER H 1 41 MET H 1.800 . 6.000 4.450 4.315 4.532 . 0 0 "[ . 1 . 2]" 1
627 1 40 SER H 1 43 GLN HB3 1.800 . 6.000 5.145 4.390 6.034 0.034 16 0 "[ . 1 . 2]" 1
628 1 40 SER H 1 43 GLN HB2 1.800 . 6.000 5.656 4.385 6.022 0.022 11 0 "[ . 1 . 2]" 1
629 1 40 SER H 1 43 GLN H 1.800 . 6.000 4.688 4.321 5.392 . 0 0 "[ . 1 . 2]" 1
630 1 40 SER H 1 44 ILE QG 1.800 . 4.000 3.931 3.505 4.019 0.019 2 0 "[ . 1 . 2]" 1
631 1 40 SER H 1 44 ILE MD 1.800 . 4.500 2.631 2.348 2.939 . 0 0 "[ . 1 . 2]" 1
632 1 40 SER QB 1 43 GLN HB3 1.800 . 5.000 4.008 2.297 4.996 . 0 0 "[ . 1 . 2]" 1
633 1 40 SER QB 1 43 GLN HB2 1.800 . 5.000 4.035 1.992 5.015 0.015 4 0 "[ . 1 . 2]" 1
634 1 40 SER HA 1 41 MET H 1.800 . 3.500 2.393 2.143 2.603 . 0 0 "[ . 1 . 2]" 1
635 1 40 SER QB 1 41 MET H 1.800 . 5.000 2.747 2.161 3.712 . 0 0 "[ . 1 . 2]" 1
636 1 40 SER HB3 1 41 MET H 1.800 . 5.500 2.915 2.194 4.106 . 0 0 "[ . 1 . 2]" 1
637 1 40 SER HB2 1 41 MET H 1.800 . 5.500 3.748 2.533 4.477 . 0 0 "[ . 1 . 2]" 1
638 1 41 MET H 1 41 MET QG 1.800 . 4.000 3.021 1.960 4.027 0.027 20 0 "[ . 1 . 2]" 1
639 1 41 MET HA 1 44 ILE HB 1.800 . 5.000 4.710 4.060 5.011 0.011 15 0 "[ . 1 . 2]" 1
640 1 41 MET HA 1 44 ILE HG13 1.800 . 4.500 3.248 2.873 3.585 . 0 0 "[ . 1 . 2]" 1
641 1 41 MET HA 1 44 ILE HG12 1.800 . 4.500 3.478 2.993 3.844 . 0 0 "[ . 1 . 2]" 1
642 1 41 MET HA 1 44 ILE MG 1.800 . 6.000 5.105 4.673 5.377 . 0 0 "[ . 1 . 2]" 1
643 1 41 MET HA 1 44 ILE MD 1.800 . 6.000 4.136 3.836 4.484 . 0 0 "[ . 1 . 2]" 1
644 1 40 SER HA 1 42 ARG H 1.800 . 5.000 4.086 3.498 4.349 . 0 0 "[ . 1 . 2]" 1
645 1 40 SER HB3 1 42 ARG H 1.800 . 5.000 2.897 2.326 4.150 . 0 0 "[ . 1 . 2]" 1
646 1 40 SER HB2 1 42 ARG H 1.800 . 5.000 3.558 2.393 4.858 . 0 0 "[ . 1 . 2]" 1
647 1 41 MET HA 1 42 ARG H 1.800 . 5.000 3.096 2.934 3.528 . 0 0 "[ . 1 . 2]" 1
648 1 41 MET QG 1 42 ARG H 1.800 . 4.500 4.073 2.357 4.530 0.030 12 0 "[ . 1 . 2]" 1
649 1 41 MET H 1 42 ARG H 1.800 . 4.000 2.726 2.109 2.878 . 0 0 "[ . 1 . 2]" 1
650 1 42 ARG H 1 42 ARG QD 1.800 . 6.000 4.320 3.209 5.022 . 0 0 "[ . 1 . 2]" 1
651 1 42 ARG H 1 42 ARG QG 1.800 . 4.500 3.350 1.988 4.257 . 0 0 "[ . 1 . 2]" 1
652 1 42 ARG H 1 43 GLN QB 1.800 . 6.000 3.986 3.702 4.757 . 0 0 "[ . 1 . 2]" 1
653 1 42 ARG H 1 44 ILE H 1.800 . 6.000 5.216 4.967 5.907 . 0 0 "[ . 1 . 2]" 1
654 1 42 ARG QB 1 43 GLN QB 1.800 . 6.000 3.831 3.333 4.509 . 0 0 "[ . 1 . 2]" 1
655 1 40 SER QB 1 42 ARG QB 1.800 . 6.000 3.605 2.838 5.159 . 0 0 "[ . 1 . 2]" 1
656 1 40 SER QB 1 43 GLN H 1.800 . 5.000 3.442 2.634 3.961 . 0 0 "[ . 1 . 2]" 1
657 1 40 SER HB3 1 43 GLN H 1.800 . 6.000 3.997 2.674 5.490 . 0 0 "[ . 1 . 2]" 1
658 1 40 SER HB2 1 43 GLN H 1.800 . 6.000 4.302 3.115 5.403 . 0 0 "[ . 1 . 2]" 1
659 1 42 ARG HA 1 43 GLN H 1.800 . 4.500 3.169 2.965 3.342 . 0 0 "[ . 1 . 2]" 1
660 1 42 ARG HB3 1 43 GLN H 1.800 . 5.000 4.167 3.492 4.648 . 0 0 "[ . 1 . 2]" 1
661 1 42 ARG HB2 1 43 GLN H 1.800 . 5.000 4.225 3.714 4.553 . 0 0 "[ . 1 . 2]" 1
662 1 42 ARG QG 1 43 GLN H 1.800 . 5.000 4.199 2.976 4.918 . 0 0 "[ . 1 . 2]" 1
663 1 42 ARG H 1 43 GLN H 1.800 . 4.500 2.204 1.989 2.890 . 0 0 "[ . 1 . 2]" 1
664 1 43 GLN H 1 43 GLN QB 1.800 . 3.500 2.929 2.800 3.319 . 0 0 "[ . 1 . 2]" 1
665 1 43 GLN H 1 43 GLN HB3 1.800 . 4.000 3.370 3.003 3.863 . 0 0 "[ . 1 . 2]" 1
666 1 43 GLN H 1 43 GLN HB2 1.800 . 4.000 3.307 2.875 3.980 . 0 0 "[ . 1 . 2]" 1
667 1 43 GLN HA 1 43 GLN HE21 1.800 . 6.000 4.219 2.346 4.851 . 0 0 "[ . 1 . 2]" 1
668 1 43 GLN HA 1 43 GLN HE22 1.800 . 6.000 5.413 3.991 5.940 . 0 0 "[ . 1 . 2]" 1
669 1 43 GLN QB 1 43 GLN HE21 1.800 . 5.000 2.526 1.907 3.941 . 0 0 "[ . 1 . 2]" 1
670 1 43 GLN QB 1 43 GLN HE22 1.800 . 5.000 3.427 3.175 4.160 . 0 0 "[ . 1 . 2]" 1
671 1 43 GLN H 1 44 ILE MD 1.800 . 6.000 3.510 3.207 3.865 . 0 0 "[ . 1 . 2]" 1
672 1 43 GLN H 1 44 ILE HG13 1.800 . 5.000 3.947 3.861 4.047 . 0 0 "[ . 1 . 2]" 1
673 1 43 GLN H 1 44 ILE HG12 1.800 . 5.000 2.410 2.327 2.545 . 0 0 "[ . 1 . 2]" 1
674 1 43 GLN H 1 44 ILE MG 1.800 . 6.000 5.109 5.062 5.162 . 0 0 "[ . 1 . 2]" 1
675 1 43 GLN HE21 1 44 ILE MD 1.800 . 6.000 4.519 2.956 5.841 . 0 0 "[ . 1 . 2]" 1
676 1 43 GLN HE22 1 44 ILE MD 1.800 . 6.000 5.221 4.325 6.037 0.037 15 0 "[ . 1 . 2]" 1
677 1 43 GLN HA 1 44 ILE H 1.800 . 4.000 2.326 2.314 2.340 . 0 0 "[ . 1 . 2]" 1
678 1 43 GLN HB3 1 44 ILE H 1.800 . 5.000 4.372 4.158 4.583 . 0 0 "[ . 1 . 2]" 1
679 1 43 GLN HB2 1 44 ILE H 1.800 . 5.000 4.522 4.157 4.645 . 0 0 "[ . 1 . 2]" 1
680 1 43 GLN H 1 44 ILE H 1.800 . 3.000 3.108 3.096 3.120 0.120 9 0 "[ . 1 . 2]" 1
681 1 43 GLN QE 1 44 ILE H 1.800 . 6.000 5.130 3.177 5.990 . 0 0 "[ . 1 . 2]" 1
682 1 44 ILE H 1 44 ILE MD 1.800 . 5.000 3.887 3.776 4.021 . 0 0 "[ . 1 . 2]" 1
683 1 44 ILE H 1 44 ILE QG 1.800 . 3.500 2.871 2.787 3.019 . 0 0 "[ . 1 . 2]" 1
684 1 44 ILE H 1 44 ILE HG13 1.800 . 4.500 4.275 4.197 4.384 . 0 0 "[ . 1 . 2]" 1
685 1 44 ILE H 1 44 ILE HG12 1.800 . 4.500 2.918 2.828 3.076 . 0 0 "[ . 1 . 2]" 1
686 1 44 ILE H 1 44 ILE MG 1.800 . 4.500 3.995 3.982 4.011 . 0 0 "[ . 1 . 2]" 1
687 1 44 ILE H 1 45 ARG H 1.800 . 6.000 4.404 4.377 4.427 . 0 0 "[ . 1 . 2]" 1
688 1 34 SER QB 1 44 ILE QG 1.800 . 6.000 3.097 2.086 3.816 . 0 0 "[ . 1 . 2]" 1
689 1 30 MET QG 1 44 ILE MG 1.800 . 6.000 3.151 2.180 4.566 . 0 0 "[ . 1 . 2]" 1
690 1 44 ILE MG 1 46 PHE QD 1.800 . 5.000 2.852 1.991 4.150 . 0 0 "[ . 1 . 2]" 1
691 1 44 ILE MG 1 46 PHE QE 1.800 . 6.000 3.038 2.010 4.010 . 0 0 "[ . 1 . 2]" 1
692 1 44 ILE MG 1 72 VAL QG 1.800 . 5.000 2.400 1.987 3.550 . 0 0 "[ . 1 . 2]" 1
693 1 44 ILE MG 1 74 GLN HA 1.800 . 6.000 4.312 3.553 4.643 . 0 0 "[ . 1 . 2]" 1
694 1 44 ILE MG 1 74 GLN QB 1.800 . 6.000 4.873 2.686 5.930 . 0 0 "[ . 1 . 2]" 1
695 1 44 ILE MG 1 74 GLN QE 1.800 . 6.000 4.317 2.334 5.884 . 0 0 "[ . 1 . 2]" 1
696 1 44 ILE HB 1 46 PHE QD 1.800 . 6.000 4.828 3.721 5.793 . 0 0 "[ . 1 . 2]" 1
697 1 34 SER HA 1 44 ILE MD 1.800 . 6.000 3.824 3.473 4.089 . 0 0 "[ . 1 . 2]" 1
698 1 34 SER HB3 1 44 ILE MD 1.800 . 5.000 3.402 2.402 4.395 . 0 0 "[ . 1 . 2]" 1
699 1 34 SER HB2 1 44 ILE MD 1.800 . 5.000 3.515 2.616 4.112 . 0 0 "[ . 1 . 2]" 1
700 1 44 ILE MD 1 74 GLN QE 1.800 . 5.000 3.940 2.002 4.618 . 0 0 "[ . 1 . 2]" 1
701 1 44 ILE MD 1 72 VAL QG 1.800 . 6.000 3.668 3.181 4.961 . 0 0 "[ . 1 . 2]" 1
702 1 44 ILE HA 1 45 ARG H 1.800 . 3.000 2.355 2.315 2.409 . 0 0 "[ . 1 . 2]" 1
703 1 44 ILE HB 1 45 ARG H 1.800 . 3.500 3.543 3.520 3.572 0.072 11 0 "[ . 1 . 2]" 1
704 1 44 ILE MD 1 45 ARG H 1.800 . 6.000 3.674 3.591 3.773 . 0 0 "[ . 1 . 2]" 1
705 1 44 ILE MG 1 45 ARG H 1.800 . 5.000 1.967 1.907 2.043 . 0 0 "[ . 1 . 2]" 1
706 1 45 ARG H 1 45 ARG QD 1.800 . 6.000 4.616 4.152 4.983 . 0 0 "[ . 1 . 2]" 1
707 1 45 ARG H 1 46 PHE H 1.800 . 6.000 4.196 3.962 4.359 . 0 0 "[ . 1 . 2]" 1
708 1 45 ARG H 1 46 PHE QD 1.800 . 6.000 4.009 3.397 5.244 . 0 0 "[ . 1 . 2]" 1
709 1 45 ARG H 1 72 VAL MG1 1.800 . 6.000 5.345 4.787 5.853 . 0 0 "[ . 1 . 2]" 1
710 1 45 ARG H 1 72 VAL MG2 1.800 . 6.000 3.187 2.546 5.289 . 0 0 "[ . 1 . 2]" 1
711 1 45 ARG H 1 73 PHE H 1.800 . 4.500 3.827 3.140 4.175 . 0 0 "[ . 1 . 2]" 1
712 1 45 ARG H 1 74 GLN HA 1.800 . 4.500 3.875 3.647 4.163 . 0 0 "[ . 1 . 2]" 1
713 1 45 ARG HA 1 54 ASN HA 1.800 . 4.500 4.282 3.861 4.516 0.016 7 0 "[ . 1 . 2]" 1
714 1 45 ARG HA 1 55 GLU H 1.800 . 6.000 5.531 4.249 6.021 0.021 19 0 "[ . 1 . 2]" 1
715 1 45 ARG QB 1 73 PHE QB 1.800 . 4.500 2.973 1.967 4.072 . 0 0 "[ . 1 . 2]" 1
716 1 45 ARG QB 1 73 PHE QD 1.800 . 6.000 4.667 3.627 5.787 . 0 0 "[ . 1 . 2]" 1
717 1 45 ARG QG 1 73 PHE QD 1.800 . 5.000 4.293 3.255 5.013 0.013 20 0 "[ . 1 . 2]" 1
718 1 45 ARG QG 1 74 GLN HA 1.800 . 6.000 4.797 2.965 6.027 0.027 20 0 "[ . 1 . 2]" 1
719 1 45 ARG QD 1 53 ILE H 1.800 . 6.000 5.158 3.745 5.994 . 0 0 "[ . 1 . 2]" 1
720 1 45 ARG HE 1 47 ARG QG 1.800 . 5.000 4.175 2.837 4.986 . 0 0 "[ . 1 . 2]" 1
721 1 45 ARG HE 1 47 ARG HG3 1.800 . 6.000 4.728 2.976 6.007 0.007 9 0 "[ . 1 . 2]" 1
722 1 45 ARG HE 1 47 ARG HG2 1.800 . 6.000 4.874 3.575 6.010 0.010 3 0 "[ . 1 . 2]" 1
723 1 45 ARG HA 1 46 PHE H 1.800 . 3.000 2.190 2.134 2.325 . 0 0 "[ . 1 . 2]" 1
724 1 45 ARG QB 1 46 PHE H 1.800 . 4.500 3.430 2.606 3.907 . 0 0 "[ . 1 . 2]" 1
725 1 45 ARG QG 1 46 PHE H 1.800 . 4.500 3.234 2.367 4.367 . 0 0 "[ . 1 . 2]" 1
726 1 45 ARG HD3 1 46 PHE H 1.800 . 6.000 4.888 3.491 5.989 . 0 0 "[ . 1 . 2]" 1
727 1 45 ARG HD2 1 46 PHE H 1.800 . 6.000 4.570 2.440 6.006 0.006 3 0 "[ . 1 . 2]" 1
728 1 46 PHE H 1 46 PHE QD 1.800 . 4.500 3.337 2.521 3.881 . 0 0 "[ . 1 . 2]" 1
729 1 46 PHE H 1 46 PHE QE 1.800 . 6.000 5.508 4.805 5.950 . 0 0 "[ . 1 . 2]" 1
730 1 46 PHE H 1 47 ARG H 1.800 . 6.000 4.445 4.121 4.581 . 0 0 "[ . 1 . 2]" 1
731 1 46 PHE H 1 53 ILE QG 1.800 . 6.000 3.500 2.835 4.232 . 0 0 "[ . 1 . 2]" 1
732 1 46 PHE H 1 53 ILE MD 1.800 . 6.000 4.622 3.662 5.077 . 0 0 "[ . 1 . 2]" 1
733 1 46 PHE H 1 53 ILE H 1.800 . 5.000 3.838 3.186 4.495 . 0 0 "[ . 1 . 2]" 1
734 1 46 PHE H 1 54 ASN HA 1.800 . 5.000 3.899 3.451 4.645 . 0 0 "[ . 1 . 2]" 1
735 1 46 PHE HA 1 72 VAL HA 1.800 . 4.000 2.292 2.024 2.639 . 0 0 "[ . 1 . 2]" 1
736 1 46 PHE HA 1 73 PHE H 1.800 . 5.000 3.220 2.717 3.669 . 0 0 "[ . 1 . 2]" 1
737 1 46 PHE HA 1 46 PHE QD 1.800 . 5.000 2.599 1.974 3.128 . 0 0 "[ . 1 . 2]" 1
738 1 46 PHE HA 1 72 VAL QG 1.800 . 5.000 3.161 2.222 3.610 . 0 0 "[ . 1 . 2]" 1
739 1 46 PHE QB 1 53 ILE MD 1.800 . 5.000 2.199 1.813 2.888 . 0 0 "[ . 1 . 2]" 1
740 1 46 PHE QB 1 53 ILE QG 1.800 . 4.500 2.090 1.832 2.774 . 0 0 "[ . 1 . 2]" 1
741 1 46 PHE QB 1 53 ILE HG13 1.800 . 5.000 2.169 1.873 3.170 . 0 0 "[ . 1 . 2]" 1
742 1 46 PHE QB 1 53 ILE HG12 1.800 . 5.000 3.089 2.330 3.708 . 0 0 "[ . 1 . 2]" 1
743 1 46 PHE HA 1 47 ARG H 1.800 . 3.000 2.251 2.156 2.424 . 0 0 "[ . 1 . 2]" 1
744 1 46 PHE HB3 1 47 ARG H 1.800 . 5.000 3.143 2.492 3.990 . 0 0 "[ . 1 . 2]" 1
745 1 46 PHE HB2 1 47 ARG H 1.800 . 5.000 4.240 3.760 4.644 . 0 0 "[ . 1 . 2]" 1
746 1 46 PHE QD 1 47 ARG H 1.800 . 5.000 3.779 2.677 4.438 . 0 0 "[ . 1 . 2]" 1
747 1 47 ARG H 1 47 ARG QG 1.800 . 6.000 3.375 2.603 4.119 . 0 0 "[ . 1 . 2]" 1
748 1 47 ARG H 1 53 ILE MD 1.800 . 6.000 4.163 2.859 5.432 . 0 0 "[ . 1 . 2]" 1
749 1 47 ARG H 1 70 ILE HA 1.800 . 6.000 4.874 4.198 5.689 . 0 0 "[ . 1 . 2]" 1
750 1 47 ARG H 1 70 ILE MG 1.800 . 4.500 3.519 2.434 4.452 . 0 0 "[ . 1 . 2]" 1
751 1 47 ARG H 1 71 ASP H 1.800 . 4.500 2.952 2.358 3.462 . 0 0 "[ . 1 . 2]" 1
752 1 47 ARG H 1 71 ASP QB 1.800 . 6.000 3.832 3.384 4.619 . 0 0 "[ . 1 . 2]" 1
753 1 47 ARG H 1 72 VAL HA 1.800 . 4.500 3.257 2.688 3.635 . 0 0 "[ . 1 . 2]" 1
754 1 47 ARG H 1 72 VAL HB 1.800 . 5.000 4.969 4.723 5.035 0.035 7 0 "[ . 1 . 2]" 1
755 1 47 ARG H 1 73 PHE H 1.800 . 6.000 4.146 3.464 4.788 . 0 0 "[ . 1 . 2]" 1
756 1 47 ARG HA 1 52 PRO HA 1.800 . 4.500 2.979 2.296 3.725 . 0 0 "[ . 1 . 2]" 1
757 1 47 ARG HA 1 53 ILE QG 1.800 . 6.000 2.892 1.970 4.317 . 0 0 "[ . 1 . 2]" 1
758 1 47 ARG QB 1 71 ASP QB 1.800 . 5.000 2.507 1.967 4.005 . 0 0 "[ . 1 . 2]" 1
759 1 47 ARG HB3 1 71 ASP QB 1.800 . 6.000 3.326 2.479 5.620 . 0 0 "[ . 1 . 2]" 1
760 1 47 ARG HB2 1 71 ASP QB 1.800 . 6.000 2.671 1.999 4.100 . 0 0 "[ . 1 . 2]" 1
761 1 47 ARG QD 1 50 GLY HA3 1.800 . 6.000 4.632 3.601 5.460 . 0 0 "[ . 1 . 2]" 1
762 1 47 ARG QD 1 50 GLY HA2 1.800 . 6.000 3.130 2.088 4.043 . 0 0 "[ . 1 . 2]" 1
763 1 47 ARG QD 1 52 PRO HA 1.800 . 6.000 3.664 2.149 5.297 . 0 0 "[ . 1 . 2]" 1
764 1 47 ARG QG 1 73 PHE QD 1.800 . 5.000 3.165 2.214 4.933 . 0 0 "[ . 1 . 2]" 1
765 1 47 ARG HA 1 48 PHE H 1.800 . 3.000 2.166 2.131 2.219 . 0 0 "[ . 1 . 2]" 1
766 1 47 ARG HB3 1 48 PHE H 1.800 . 4.500 3.468 2.912 3.864 . 0 0 "[ . 1 . 2]" 1
767 1 47 ARG HB2 1 48 PHE H 1.800 . 4.500 4.354 3.839 4.525 0.025 3 0 "[ . 1 . 2]" 1
768 1 47 ARG QG 1 48 PHE H 1.800 . 5.000 3.941 3.093 4.671 . 0 0 "[ . 1 . 2]" 1
769 1 48 PHE H 1 48 PHE QD 1.800 . 5.000 4.273 4.194 4.391 . 0 0 "[ . 1 . 2]" 1
770 1 48 PHE H 1 49 ASP H 1.800 . 5.000 4.083 3.611 4.325 . 0 0 "[ . 1 . 2]" 1
771 1 48 PHE H 1 50 GLY H 1.800 . 5.000 3.896 3.127 4.316 . 0 0 "[ . 1 . 2]" 1
772 1 48 PHE H 1 51 GLN H 1.800 . 4.500 2.814 2.185 4.093 . 0 0 "[ . 1 . 2]" 1
773 1 48 PHE H 1 52 PRO HA 1.800 . 5.000 4.288 3.708 4.910 . 0 0 "[ . 1 . 2]" 1
774 1 48 PHE H 1 53 ILE QG 1.800 . 4.500 3.068 2.098 4.265 . 0 0 "[ . 1 . 2]" 1
775 1 48 PHE H 1 53 ILE MG 1.800 . 5.000 3.597 2.826 4.736 . 0 0 "[ . 1 . 2]" 1
776 1 48 PHE H 1 53 ILE MD 1.800 . 6.000 3.466 2.187 4.656 . 0 0 "[ . 1 . 2]" 1
777 1 48 PHE HA 1 70 ILE HA 1.800 . 4.500 2.780 2.420 3.154 . 0 0 "[ . 1 . 2]" 1
778 1 48 PHE HA 1 71 ASP QB 1.800 . 6.000 4.963 4.054 5.794 . 0 0 "[ . 1 . 2]" 1
779 1 48 PHE QB 1 51 GLN QE 1.800 . 5.000 4.199 2.986 4.976 . 0 0 "[ . 1 . 2]" 1
780 1 48 PHE QB 1 51 GLN QB 1.800 . 5.000 2.534 1.975 3.159 . 0 0 "[ . 1 . 2]" 1
781 1 48 PHE HA 1 49 ASP H 1.800 . 3.000 2.196 2.136 2.288 . 0 0 "[ . 1 . 2]" 1
782 1 48 PHE HB3 1 49 ASP H 1.800 . 5.000 4.433 4.302 4.488 . 0 0 "[ . 1 . 2]" 1
783 1 48 PHE HB2 1 49 ASP H 1.800 . 5.000 4.502 4.362 4.615 . 0 0 "[ . 1 . 2]" 1
784 1 48 PHE QD 1 49 ASP H 1.800 . 4.500 3.706 3.082 4.375 . 0 0 "[ . 1 . 2]" 1
785 1 49 ASP H 1 49 ASP HA 1.800 . 3.000 2.273 2.269 2.279 . 0 0 "[ . 1 . 2]" 1
786 1 49 ASP H 1 50 GLY H 1.800 . 4.500 2.778 2.717 2.968 . 0 0 "[ . 1 . 2]" 1
787 1 48 PHE QD 1 49 ASP QB 1.800 . 5.000 3.337 2.048 3.848 . 0 0 "[ . 1 . 2]" 1
788 1 49 ASP QB 1 51 GLN QE 1.800 . 6.000 4.485 2.585 5.863 . 0 0 "[ . 1 . 2]" 1
789 1 47 ARG HA 1 50 GLY H 1.800 . 6.000 4.643 4.340 5.122 . 0 0 "[ . 1 . 2]" 1
790 1 47 ARG QB 1 50 GLY H 1.800 . 5.000 3.034 2.647 3.571 . 0 0 "[ . 1 . 2]" 1
791 1 47 ARG HB3 1 50 GLY H 1.800 . 6.000 3.100 2.680 3.626 . 0 0 "[ . 1 . 2]" 1
792 1 47 ARG HB2 1 50 GLY H 1.800 . 6.000 4.483 3.124 5.362 . 0 0 "[ . 1 . 2]" 1
793 1 47 ARG QD 1 50 GLY H 1.800 . 5.000 3.936 2.726 4.743 . 0 0 "[ . 1 . 2]" 1
794 1 48 PHE HA 1 50 GLY H 1.800 . 6.000 4.065 3.870 4.220 . 0 0 "[ . 1 . 2]" 1
795 1 48 PHE QD 1 50 GLY H 1.800 . 6.000 5.466 5.045 5.654 . 0 0 "[ . 1 . 2]" 1
796 1 49 ASP HA 1 50 GLY H 1.800 . 3.000 2.822 2.717 2.871 . 0 0 "[ . 1 . 2]" 1
797 1 49 ASP HB3 1 50 GLY H 1.800 . 5.000 4.310 4.204 4.662 . 0 0 "[ . 1 . 2]" 1
798 1 49 ASP HB2 1 50 GLY H 1.800 . 5.000 4.409 4.314 4.540 . 0 0 "[ . 1 . 2]" 1
799 1 50 GLY H 1 50 GLY HA3 1.800 . 3.000 2.908 2.866 2.955 . 0 0 "[ . 1 . 2]" 1
800 1 50 GLY H 1 50 GLY HA2 1.800 . 3.000 2.346 2.308 2.441 . 0 0 "[ . 1 . 2]" 1
801 1 50 GLY H 1 51 GLN H 1.800 . 4.000 2.510 2.289 2.995 . 0 0 "[ . 1 . 2]" 1
802 1 47 ARG HA 1 51 GLN H 1.800 . 5.000 3.982 3.510 4.983 . 0 0 "[ . 1 . 2]" 1
803 1 47 ARG QB 1 51 GLN H 1.800 . 5.000 3.687 2.956 4.410 . 0 0 "[ . 1 . 2]" 1
804 1 47 ARG HB3 1 51 GLN H 1.800 . 6.000 3.770 2.989 4.593 . 0 0 "[ . 1 . 2]" 1
805 1 47 ARG HB2 1 51 GLN H 1.800 . 6.000 5.284 4.678 6.016 0.016 18 0 "[ . 1 . 2]" 1
806 1 48 PHE QB 1 51 GLN H 1.800 . 5.000 3.758 3.262 4.183 . 0 0 "[ . 1 . 2]" 1
807 1 48 PHE HB3 1 51 GLN H 1.800 . 6.000 3.880 3.344 4.304 . 0 0 "[ . 1 . 2]" 1
808 1 48 PHE HB2 1 51 GLN H 1.800 . 6.000 5.036 4.536 5.697 . 0 0 "[ . 1 . 2]" 1
809 1 48 PHE QD 1 51 GLN H 1.800 . 6.000 4.800 4.126 5.283 . 0 0 "[ . 1 . 2]" 1
810 1 49 ASP H 1 51 GLN H 1.800 . 5.000 4.090 3.936 4.561 . 0 0 "[ . 1 . 2]" 1
811 1 49 ASP HB3 1 51 GLN H 1.800 . 5.000 4.626 3.670 5.032 0.032 7 0 "[ . 1 . 2]" 1
812 1 49 ASP HB2 1 51 GLN H 1.800 . 5.000 4.702 4.057 5.020 0.020 9 0 "[ . 1 . 2]" 1
813 1 50 GLY HA3 1 51 GLN H 1.800 . 4.500 3.364 2.866 3.507 . 0 0 "[ . 1 . 2]" 1
814 1 50 GLY HA2 1 51 GLN H 1.800 . 4.500 3.156 2.990 3.544 . 0 0 "[ . 1 . 2]" 1
815 1 51 GLN H 1 51 GLN HB3 1.800 . 4.000 3.244 2.520 3.805 . 0 0 "[ . 1 . 2]" 1
816 1 51 GLN H 1 51 GLN HB2 1.800 . 4.000 2.552 2.120 2.988 . 0 0 "[ . 1 . 2]" 1
817 1 51 GLN H 1 51 GLN QE 1.800 . 6.000 4.674 3.637 5.668 . 0 0 "[ . 1 . 2]" 1
818 1 51 GLN H 1 52 PRO QD 1.800 . 5.000 3.880 3.444 4.241 . 0 0 "[ . 1 . 2]" 1
819 1 51 GLN HA 1 51 GLN HE21 1.800 . 6.000 4.506 2.161 5.150 . 0 0 "[ . 1 . 2]" 1
820 1 51 GLN HA 1 51 GLN HE22 1.800 . 6.000 5.517 3.839 5.978 . 0 0 "[ . 1 . 2]" 1
821 1 49 ASP QB 1 51 GLN QB 1.800 . 6.000 4.086 3.542 5.114 . 0 0 "[ . 1 . 2]" 1
822 1 51 GLN QG 1 52 PRO QD 1.800 . 5.000 3.247 2.275 3.964 . 0 0 "[ . 1 . 2]" 1
823 1 48 PHE QD 1 51 GLN QE 1.800 . 5.000 3.718 2.677 4.617 . 0 0 "[ . 1 . 2]" 1
824 1 47 ARG QG 1 52 PRO HA 1.800 . 6.000 2.576 1.939 4.087 . 0 0 "[ . 1 . 2]" 1
825 1 50 GLY QA 1 52 PRO QD 1.800 . 6.000 3.988 3.417 4.695 . 0 0 "[ . 1 . 2]" 1
826 1 51 GLN HA 1 52 PRO QD 1.800 . 3.500 1.984 1.845 2.107 . 0 0 "[ . 1 . 2]" 1
827 1 46 PHE QB 1 53 ILE H 1.800 . 6.000 3.879 3.315 4.402 . 0 0 "[ . 1 . 2]" 1
828 1 47 ARG HA 1 53 ILE H 1.800 . 4.500 3.109 2.613 3.882 . 0 0 "[ . 1 . 2]" 1
829 1 52 PRO HA 1 53 ILE H 1.800 . 3.000 2.191 2.152 2.282 . 0 0 "[ . 1 . 2]" 1
830 1 52 PRO HB3 1 53 ILE H 1.800 . 5.000 3.901 3.137 4.282 . 0 0 "[ . 1 . 2]" 1
831 1 52 PRO HB2 1 53 ILE H 1.800 . 5.000 3.967 3.196 4.325 . 0 0 "[ . 1 . 2]" 1
832 1 53 ILE H 1 53 ILE MD 1.800 . 6.000 3.764 1.943 4.057 . 0 0 "[ . 1 . 2]" 1
833 1 53 ILE H 1 53 ILE QG 1.800 . 4.500 2.217 1.997 2.825 . 0 0 "[ . 1 . 2]" 1
834 1 53 ILE H 1 53 ILE MG 1.800 . 5.000 3.121 2.940 3.358 . 0 0 "[ . 1 . 2]" 1
835 1 53 ILE H 1 54 ASN H 1.800 . 6.000 4.445 4.353 4.521 . 0 0 "[ . 1 . 2]" 1
836 1 47 ARG HA 1 53 ILE MD 1.800 . 5.000 3.887 2.251 4.832 . 0 0 "[ . 1 . 2]" 1
837 1 48 PHE HA 1 53 ILE MD 1.800 . 6.000 4.192 3.459 5.391 . 0 0 "[ . 1 . 2]" 1
838 1 48 PHE HB3 1 53 ILE MD 1.800 . 5.000 3.382 2.621 4.776 . 0 0 "[ . 1 . 2]" 1
839 1 48 PHE HB2 1 53 ILE MD 1.800 . 5.000 2.504 1.935 3.974 . 0 0 "[ . 1 . 2]" 1
840 1 48 PHE QD 1 53 ILE MD 1.800 . 6.000 4.027 3.306 5.178 . 0 0 "[ . 1 . 2]" 1
841 1 46 PHE H 1 53 ILE MG 1.800 . 6.000 5.806 5.259 6.015 0.015 16 0 "[ . 1 . 2]" 1
842 1 53 ILE MG 1 57 ASP QB 1.800 . 5.000 3.773 3.263 4.065 . 0 0 "[ . 1 . 2]" 1
843 1 51 GLN QG 1 53 ILE MG 1.800 . 5.000 3.915 2.212 4.967 . 0 0 "[ . 1 . 2]" 1
844 1 53 ILE MG 1 60 ALA MB 1.800 . 5.000 3.635 2.947 4.359 . 0 0 "[ . 1 . 2]" 1
845 1 53 ILE HA 1 54 ASN H 1.800 . 3.000 2.328 2.153 2.551 . 0 0 "[ . 1 . 2]" 1
846 1 53 ILE HB 1 54 ASN H 1.800 . 4.500 2.602 2.071 3.113 . 0 0 "[ . 1 . 2]" 1
847 1 53 ILE QG 1 54 ASN H 1.800 . 6.000 3.911 3.381 4.235 . 0 0 "[ . 1 . 2]" 1
848 1 53 ILE MG 1 54 ASN H 1.800 . 4.500 3.570 3.388 3.729 . 0 0 "[ . 1 . 2]" 1
849 1 53 ILE MD 1 54 ASN H 1.800 . 6.000 4.411 3.312 4.989 . 0 0 "[ . 1 . 2]" 1
850 1 54 ASN H 1 55 GLU H 1.800 . 5.000 4.522 4.418 4.626 . 0 0 "[ . 1 . 2]" 1
851 1 54 ASN H 1 56 THR H 1.800 . 6.000 4.251 3.675 4.987 . 0 0 "[ . 1 . 2]" 1
852 1 54 ASN H 1 57 ASP QB 1.800 . 6.000 3.837 3.191 4.636 . 0 0 "[ . 1 . 2]" 1
853 1 54 ASN H 1 57 ASP H 1.800 . 6.000 4.588 3.725 5.042 . 0 0 "[ . 1 . 2]" 1
854 1 54 ASN HA 1 54 ASN HD21 1.800 . 6.000 3.538 2.106 4.552 . 0 0 "[ . 1 . 2]" 1
855 1 54 ASN H 1 54 ASN HD21 1.800 . 6.000 4.345 2.759 5.206 . 0 0 "[ . 1 . 2]" 1
856 1 54 ASN H 1 54 ASN HD22 1.800 . 6.000 5.171 3.966 5.891 . 0 0 "[ . 1 . 2]" 1
857 1 54 ASN HA 1 55 GLU H 1.800 . 3.000 2.531 2.361 2.596 . 0 0 "[ . 1 . 2]" 1
858 1 54 ASN HB3 1 55 GLU H 1.800 . 4.500 2.450 2.091 3.765 . 0 0 "[ . 1 . 2]" 1
859 1 54 ASN HB2 1 55 GLU H 1.800 . 4.500 3.629 2.567 4.008 . 0 0 "[ . 1 . 2]" 1
860 1 55 GLU H 1 55 GLU QG 1.800 . 4.000 2.291 1.930 2.760 . 0 0 "[ . 1 . 2]" 1
861 1 55 GLU H 1 56 THR MG 1.800 . 6.000 3.985 3.392 4.777 . 0 0 "[ . 1 . 2]" 1
862 1 55 GLU H 1 56 THR H 1.800 . 4.500 2.942 2.498 3.993 . 0 0 "[ . 1 . 2]" 1
863 1 55 GLU H 1 57 ASP H 1.800 . 6.000 4.791 4.098 5.286 . 0 0 "[ . 1 . 2]" 1
864 1 27 SER H 1 55 GLU HA 1.800 . 5.000 4.048 3.137 4.621 . 0 0 "[ . 1 . 2]" 1
865 1 27 SER HA 1 55 GLU HA 1.800 . 4.500 3.578 2.619 4.141 . 0 0 "[ . 1 . 2]" 1
866 1 30 MET QB 1 55 GLU HA 1.800 . 5.000 3.437 2.926 3.939 . 0 0 "[ . 1 . 2]" 1
867 1 31 LYS QG 1 55 GLU QB 1.800 . 5.000 4.509 3.975 4.995 . 0 0 "[ . 1 . 2]" 1
868 1 31 LYS QD 1 55 GLU QB 1.800 . 6.000 5.501 4.969 6.015 0.015 10 0 "[ . 1 . 2]" 1
869 1 55 GLU QG 1 56 THR MG 1.800 . 6.000 2.910 2.113 4.869 . 0 0 "[ . 1 . 2]" 1
870 1 27 SER HA 1 55 GLU HG2 1.800 . 5.000 4.602 3.589 5.030 0.030 14 0 "[ . 1 . 2]" 1
871 1 27 SER HA 1 55 GLU HG3 1.800 . 5.000 4.143 2.983 4.983 . 0 0 "[ . 1 . 2]" 1
872 1 27 SER HA 1 56 THR H 1.800 . 6.000 5.454 4.344 5.930 . 0 0 "[ . 1 . 2]" 1
873 1 54 ASN HA 1 56 THR H 1.800 . 5.000 4.232 4.035 4.945 . 0 0 "[ . 1 . 2]" 1
874 1 54 ASN QB 1 56 THR H 1.800 . 4.500 2.672 2.143 4.262 . 0 0 "[ . 1 . 2]" 1
875 1 54 ASN HB3 1 56 THR H 1.800 . 5.000 2.878 2.158 4.874 . 0 0 "[ . 1 . 2]" 1
876 1 54 ASN HB2 1 56 THR H 1.800 . 5.000 3.547 2.807 5.014 0.014 19 0 "[ . 1 . 2]" 1
877 1 54 ASN QD 1 56 THR H 1.800 . 6.000 4.791 3.630 6.001 0.001 19 0 "[ . 1 . 2]" 1
878 1 55 GLU HA 1 56 THR H 1.800 . 5.000 3.114 2.292 3.504 . 0 0 "[ . 1 . 2]" 1
879 1 55 GLU QB 1 56 THR H 1.800 . 5.000 3.850 3.201 4.074 . 0 0 "[ . 1 . 2]" 1
880 1 55 GLU QG 1 56 THR H 1.800 . 5.000 3.325 2.059 4.372 . 0 0 "[ . 1 . 2]" 1
881 1 56 THR H 1 56 THR MG 1.800 . 4.500 2.827 2.258 3.473 . 0 0 "[ . 1 . 2]" 1
882 1 56 THR H 1 57 ASP H 1.800 . 4.000 2.447 1.828 3.053 . 0 0 "[ . 1 . 2]" 1
883 1 25 PRO QB 1 56 THR HA 1.800 . 4.500 3.077 2.708 3.327 . 0 0 "[ . 1 . 2]" 1
884 1 25 PRO HB3 1 56 THR HA 1.800 . 5.000 3.697 2.928 4.255 . 0 0 "[ . 1 . 2]" 1
885 1 25 PRO HB2 1 56 THR HA 1.800 . 5.000 3.468 2.754 4.199 . 0 0 "[ . 1 . 2]" 1
886 1 55 GLU QB 1 56 THR MG 1.800 . 6.000 4.123 3.285 4.723 . 0 0 "[ . 1 . 2]" 1
887 1 25 PRO QB 1 57 ASP H 1.800 . 6.000 4.090 3.661 4.564 . 0 0 "[ . 1 . 2]" 1
888 1 26 LEU QB 1 57 ASP H 1.800 . 5.000 2.471 2.103 2.999 . 0 0 "[ . 1 . 2]" 1
889 1 26 LEU HG 1 57 ASP H 1.800 . 6.000 4.447 3.686 5.556 . 0 0 "[ . 1 . 2]" 1
890 1 26 LEU QD 1 57 ASP H 1.800 . 6.000 3.201 2.580 3.977 . 0 0 "[ . 1 . 2]" 1
891 1 53 ILE MG 1 57 ASP H 1.800 . 6.000 5.712 5.117 6.035 0.035 11 0 "[ . 1 . 2]" 1
892 1 54 ASN HA 1 57 ASP H 1.800 . 6.000 5.528 4.842 5.872 . 0 0 "[ . 1 . 2]" 1
893 1 54 ASN QB 1 57 ASP H 1.800 . 6.000 4.269 3.385 5.018 . 0 0 "[ . 1 . 2]" 1
894 1 55 GLU HA 1 57 ASP H 1.800 . 5.000 3.540 3.395 3.972 . 0 0 "[ . 1 . 2]" 1
895 1 55 GLU QB 1 57 ASP H 1.800 . 6.000 4.842 4.462 5.425 . 0 0 "[ . 1 . 2]" 1
896 1 56 THR HA 1 57 ASP H 1.800 . 5.000 3.117 2.917 3.509 . 0 0 "[ . 1 . 2]" 1
897 1 56 THR HB 1 57 ASP H 1.800 . 6.000 4.376 3.832 4.618 . 0 0 "[ . 1 . 2]" 1
898 1 56 THR MG 1 57 ASP H 1.800 . 6.000 4.229 2.231 4.471 . 0 0 "[ . 1 . 2]" 1
899 1 57 ASP H 1 58 THR H 1.800 . 5.000 4.588 4.445 4.628 . 0 0 "[ . 1 . 2]" 1
900 1 53 ILE MD 1 57 ASP QB 1.800 . 6.000 3.324 2.067 4.456 . 0 0 "[ . 1 . 2]" 1
901 1 26 LEU QB 1 57 ASP QB 1.800 . 4.500 2.500 2.021 3.944 . 0 0 "[ . 1 . 2]" 1
902 1 57 ASP HA 1 58 THR H 1.800 . 4.500 2.442 2.123 2.673 . 0 0 "[ . 1 . 2]" 1
903 1 57 ASP QB 1 58 THR H 1.800 . 4.000 2.894 1.951 3.465 . 0 0 "[ . 1 . 2]" 1
904 1 57 ASP HB3 1 58 THR H 1.800 . 4.500 3.072 2.204 3.604 . 0 0 "[ . 1 . 2]" 1
905 1 57 ASP HB2 1 58 THR H 1.800 . 4.500 3.848 1.961 4.494 . 0 0 "[ . 1 . 2]" 1
906 1 58 THR H 1 58 THR MG 1.800 . 4.500 3.952 3.883 4.033 . 0 0 "[ . 1 . 2]" 1
907 1 58 THR H 1 59 PRO QD 1.800 . 5.000 1.831 1.773 1.900 0.027 18 0 "[ . 1 . 2]" 1
908 1 58 THR H 1 61 GLN HB3 1.800 . 4.500 4.517 4.451 4.548 0.048 8 0 "[ . 1 . 2]" 1
909 1 58 THR H 1 61 GLN HB2 1.800 . 4.500 4.459 4.071 4.545 0.045 9 0 "[ . 1 . 2]" 1
910 1 58 THR H 1 61 GLN H 1.800 . 5.000 3.629 3.529 4.206 . 0 0 "[ . 1 . 2]" 1
911 1 58 THR HA 1 59 PRO QD 1.800 . 4.500 3.567 3.523 3.581 . 0 0 "[ . 1 . 2]" 1
912 1 58 THR HB 1 59 PRO QD 1.800 . 4.500 2.148 1.892 2.366 . 0 0 "[ . 1 . 2]" 1
913 1 58 THR MG 1 59 PRO QD 1.800 . 5.000 3.498 2.669 3.587 . 0 0 "[ . 1 . 2]" 1
914 1 25 PRO QG 1 58 THR MG 1.800 . 5.000 2.972 1.899 3.844 . 0 0 "[ . 1 . 2]" 1
915 1 25 PRO QD 1 58 THR MG 1.800 . 5.000 3.006 2.543 4.310 . 0 0 "[ . 1 . 2]" 1
916 1 59 PRO HA 1 62 LEU HB3 1.800 . 4.500 3.672 3.104 4.392 . 0 0 "[ . 1 . 2]" 1
917 1 59 PRO HA 1 62 LEU HB2 1.800 . 4.500 3.382 2.706 4.300 . 0 0 "[ . 1 . 2]" 1
918 1 59 PRO HA 1 62 LEU QD 1.800 . 5.000 3.714 2.780 4.426 . 0 0 "[ . 1 . 2]" 1
919 1 57 ASP HA 1 60 ALA H 1.800 . 6.000 5.160 4.864 5.478 . 0 0 "[ . 1 . 2]" 1
920 1 57 ASP QB 1 60 ALA H 1.800 . 6.000 4.560 3.555 5.203 . 0 0 "[ . 1 . 2]" 1
921 1 58 THR HA 1 60 ALA H 1.800 . 5.000 4.710 4.436 4.924 . 0 0 "[ . 1 . 2]" 1
922 1 58 THR H 1 60 ALA H 1.800 . 5.000 3.208 2.951 4.077 . 0 0 "[ . 1 . 2]" 1
923 1 59 PRO HA 1 60 ALA H 1.800 . 5.000 3.586 3.567 3.597 . 0 0 "[ . 1 . 2]" 1
924 1 59 PRO HB3 1 60 ALA H 1.800 . 5.000 3.737 3.602 3.935 . 0 0 "[ . 1 . 2]" 1
925 1 59 PRO HB2 1 60 ALA H 1.800 . 5.000 2.295 2.106 2.667 . 0 0 "[ . 1 . 2]" 1
926 1 59 PRO QD 1 60 ALA H 1.800 . 4.500 2.990 2.868 3.343 . 0 0 "[ . 1 . 2]" 1
927 1 59 PRO HD3 1 60 ALA H 1.800 . 5.000 4.278 4.176 4.368 . 0 0 "[ . 1 . 2]" 1
928 1 59 PRO HD2 1 60 ALA H 1.800 . 5.000 3.054 2.917 3.484 . 0 0 "[ . 1 . 2]" 1
929 1 60 ALA H 1 60 ALA MB 1.800 . 3.500 2.159 2.095 2.250 . 0 0 "[ . 1 . 2]" 1
930 1 60 ALA H 1 61 GLN H 1.800 . 4.000 2.632 2.519 2.696 . 0 0 "[ . 1 . 2]" 1
931 1 60 ALA H 1 63 GLU H 1.800 . 6.000 4.694 4.467 5.011 . 0 0 "[ . 1 . 2]" 1
932 1 60 ALA HA 1 63 GLU QB 1.800 . 4.500 2.501 2.011 3.575 . 0 0 "[ . 1 . 2]" 1
933 1 58 THR HA 1 61 GLN H 1.800 . 6.000 3.558 3.385 3.681 . 0 0 "[ . 1 . 2]" 1
934 1 60 ALA HA 1 61 GLN H 1.800 . 4.500 3.534 3.505 3.558 . 0 0 "[ . 1 . 2]" 1
935 1 60 ALA MB 1 61 GLN H 1.800 . 4.500 2.601 2.370 2.692 . 0 0 "[ . 1 . 2]" 1
936 1 61 GLN H 1 61 GLN QG 1.800 . 4.000 3.978 3.883 4.034 0.034 13 0 "[ . 1 . 2]" 1
937 1 61 GLN H 1 62 LEU H 1.800 . 3.500 2.684 2.517 2.796 . 0 0 "[ . 1 . 2]" 1
938 1 58 THR MG 1 61 GLN QG 1.800 . 6.000 4.475 3.991 5.267 . 0 0 "[ . 1 . 2]" 1
939 1 61 GLN HA 1 64 MET QB 1.800 . 5.000 3.614 3.053 4.829 . 0 0 "[ . 1 . 2]" 1
940 1 61 GLN HA 1 64 MET QG 1.800 . 6.000 3.876 2.007 5.653 . 0 0 "[ . 1 . 2]" 1
941 1 59 PRO HA 1 62 LEU H 1.800 . 5.000 3.670 3.431 3.822 . 0 0 "[ . 1 . 2]" 1
942 1 60 ALA H 1 62 LEU H 1.800 . 6.000 4.065 3.902 4.266 . 0 0 "[ . 1 . 2]" 1
943 1 61 GLN HA 1 62 LEU H 1.800 . 4.500 3.516 3.455 3.553 . 0 0 "[ . 1 . 2]" 1
944 1 61 GLN HB3 1 62 LEU H 1.800 . 4.500 2.816 2.496 3.168 . 0 0 "[ . 1 . 2]" 1
945 1 61 GLN HB2 1 62 LEU H 1.800 . 4.500 3.947 3.723 4.094 . 0 0 "[ . 1 . 2]" 1
946 1 62 LEU H 1 62 LEU HB3 1.800 . 3.500 2.969 2.470 3.488 . 0 0 "[ . 1 . 2]" 1
947 1 62 LEU H 1 62 LEU HB2 1.800 . 3.500 2.266 2.096 2.641 . 0 0 "[ . 1 . 2]" 1
948 1 62 LEU H 1 62 LEU MD1 1.800 . 5.000 3.871 2.679 4.300 . 0 0 "[ . 1 . 2]" 1
949 1 62 LEU H 1 62 LEU MD2 1.800 . 5.000 4.196 2.845 4.437 . 0 0 "[ . 1 . 2]" 1
950 1 62 LEU H 1 63 GLU HA 1.800 . 5.000 5.037 5.011 5.075 0.075 16 0 "[ . 1 . 2]" 1
951 1 62 LEU H 1 63 GLU H 1.800 . 3.500 2.409 2.353 2.450 . 0 0 "[ . 1 . 2]" 1
952 1 22 ARG QB 1 62 LEU HA 1.800 . 6.000 3.850 2.600 5.424 . 0 0 "[ . 1 . 2]" 1
953 1 22 ARG QB 1 62 LEU QD 1.800 . 5.000 3.833 2.538 4.761 . 0 0 "[ . 1 . 2]" 1
954 1 22 ARG QG 1 62 LEU HA 1.800 . 5.000 3.957 2.233 5.009 0.009 9 0 "[ . 1 . 2]" 1
955 1 22 ARG QG 1 62 LEU QD 1.800 . 5.000 3.802 2.524 4.860 . 0 0 "[ . 1 . 2]" 1
956 1 61 GLN QB 1 62 LEU HA 1.800 . 6.000 4.182 4.069 4.275 . 0 0 "[ . 1 . 2]" 1
957 1 61 GLN QB 1 62 LEU QD 1.800 . 6.000 4.304 3.000 4.892 . 0 0 "[ . 1 . 2]" 1
958 1 61 GLN QG 1 62 LEU QD 1.800 . 6.000 4.768 3.388 5.560 . 0 0 "[ . 1 . 2]" 1
959 1 60 ALA HA 1 63 GLU H 1.800 . 4.000 3.283 3.123 3.483 . 0 0 "[ . 1 . 2]" 1
960 1 61 GLN HA 1 63 GLU H 1.800 . 4.500 4.382 4.284 4.528 0.028 6 0 "[ . 1 . 2]" 1
961 1 61 GLN H 1 63 GLU H 1.800 . 6.000 4.076 3.924 4.232 . 0 0 "[ . 1 . 2]" 1
962 1 62 LEU HA 1 63 GLU H 1.800 . 4.500 3.514 3.501 3.536 . 0 0 "[ . 1 . 2]" 1
963 1 62 LEU HB3 1 63 GLU H 1.800 . 5.000 2.958 2.670 3.435 . 0 0 "[ . 1 . 2]" 1
964 1 62 LEU HB2 1 63 GLU H 1.800 . 5.000 3.511 2.931 3.983 . 0 0 "[ . 1 . 2]" 1
965 1 62 LEU QD 1 63 GLU H 1.800 . 6.000 3.918 3.376 4.220 . 0 0 "[ . 1 . 2]" 1
966 1 63 GLU H 1 63 GLU HA 1.800 . 3.000 2.801 2.779 2.840 . 0 0 "[ . 1 . 2]" 1
967 1 63 GLU H 1 63 GLU QB 1.800 . 3.500 2.170 2.045 2.519 . 0 0 "[ . 1 . 2]" 1
968 1 63 GLU H 1 63 GLU QG 1.800 . 4.000 3.506 2.164 4.003 0.003 11 0 "[ . 1 . 2]" 1
969 1 63 GLU H 1 64 MET H 1.800 . 4.000 2.695 2.550 2.815 . 0 0 "[ . 1 . 2]" 1
970 1 60 ALA HA 1 64 MET H 1.800 . 5.000 4.457 4.231 4.607 . 0 0 "[ . 1 . 2]" 1
971 1 61 GLN H 1 64 MET H 1.800 . 6.000 5.071 4.901 5.219 . 0 0 "[ . 1 . 2]" 1
972 1 62 LEU QB 1 64 MET H 1.800 . 5.000 4.717 4.535 4.965 . 0 0 "[ . 1 . 2]" 1
973 1 62 LEU QD 1 64 MET H 1.800 . 6.000 5.095 4.713 5.623 . 0 0 "[ . 1 . 2]" 1
974 1 62 LEU H 1 64 MET H 1.800 . 5.000 4.081 3.900 4.319 . 0 0 "[ . 1 . 2]" 1
975 1 63 GLU HA 1 64 MET H 1.800 . 4.000 3.520 3.453 3.567 . 0 0 "[ . 1 . 2]" 1
976 1 63 GLU QB 1 64 MET H 1.800 . 3.500 2.793 2.421 3.512 0.012 6 0 "[ . 1 . 2]" 1
977 1 63 GLU HB3 1 64 MET H 1.800 . 5.000 3.061 2.484 3.999 . 0 0 "[ . 1 . 2]" 1
978 1 63 GLU HB2 1 64 MET H 1.800 . 5.000 3.467 2.778 4.084 . 0 0 "[ . 1 . 2]" 1
979 1 64 MET H 1 64 MET HB3 1.800 . 4.000 3.397 2.589 3.658 . 0 0 "[ . 1 . 2]" 1
980 1 64 MET H 1 64 MET HB2 1.800 . 4.000 2.518 2.068 3.693 . 0 0 "[ . 1 . 2]" 1
981 1 64 MET HA 1 66 ASP H 1.800 . 5.500 4.610 3.751 5.013 . 0 0 "[ . 1 . 2]" 1
982 1 63 GLU QB 1 64 MET QB 1.800 . 6.000 4.282 3.585 4.853 . 0 0 "[ . 1 . 2]" 1
983 1 48 PHE QD 1 64 MET QG 1.800 . 6.000 5.354 4.195 5.993 . 0 0 "[ . 1 . 2]" 1
984 1 64 MET HA 1 65 GLU H 1.800 . 3.000 2.444 2.141 2.643 . 0 0 "[ . 1 . 2]" 1
985 1 64 MET QB 1 65 GLU H 1.800 . 4.000 2.502 2.099 3.736 . 0 0 "[ . 1 . 2]" 1
986 1 64 MET HB3 1 65 GLU H 1.800 . 5.000 2.724 2.112 4.346 . 0 0 "[ . 1 . 2]" 1
987 1 64 MET HB2 1 65 GLU H 1.800 . 5.000 3.611 2.144 4.598 . 0 0 "[ . 1 . 2]" 1
988 1 64 MET QG 1 65 GLU H 1.800 . 5.000 3.695 2.474 4.589 . 0 0 "[ . 1 . 2]" 1
989 1 64 MET H 1 65 GLU H 1.800 . 5.000 4.550 4.057 4.645 . 0 0 "[ . 1 . 2]" 1
990 1 65 GLU H 1 65 GLU QG 1.800 . 5.000 2.712 1.904 4.244 . 0 0 "[ . 1 . 2]" 1
991 1 65 GLU H 1 68 ASP QB 1.800 . 5.000 4.515 4.117 5.022 0.022 18 0 "[ . 1 . 2]" 1
992 1 65 GLU H 1 68 ASP HB3 1.800 . 6.000 5.961 5.542 6.045 0.045 11 0 "[ . 1 . 2]" 1
993 1 65 GLU H 1 68 ASP HB2 1.800 . 6.000 4.704 4.238 5.745 . 0 0 "[ . 1 . 2]" 1
994 1 22 ARG QB 1 65 GLU HA 1.800 . 5.000 4.652 3.979 5.004 0.004 19 0 "[ . 1 . 2]" 1
995 1 22 ARG QG 1 65 GLU HA 1.800 . 6.000 4.412 2.826 5.590 . 0 0 "[ . 1 . 2]" 1
996 1 22 ARG QB 1 65 GLU QB 1.800 . 6.000 5.195 2.419 6.031 0.031 8 0 "[ . 1 . 2]" 1
997 1 64 MET QG 1 66 ASP H 1.800 . 6.000 5.059 3.763 5.959 . 0 0 "[ . 1 . 2]" 1
998 1 65 GLU HA 1 66 ASP H 1.800 . 5.000 3.333 2.442 3.592 . 0 0 "[ . 1 . 2]" 1
999 1 65 GLU QB 1 66 ASP H 1.800 . 4.000 3.101 1.955 4.028 0.028 10 0 "[ . 1 . 2]" 1
1000 1 65 GLU HB3 1 66 ASP H 1.800 . 5.000 3.648 1.965 4.659 . 0 0 "[ . 1 . 2]" 1
1001 1 65 GLU HB2 1 66 ASP H 1.800 . 5.000 3.621 3.017 4.648 . 0 0 "[ . 1 . 2]" 1
1002 1 65 GLU H 1 66 ASP H 1.800 . 3.500 2.373 2.026 3.203 . 0 0 "[ . 1 . 2]" 1
1003 1 66 ASP H 1 68 ASP H 1.800 . 6.000 5.166 3.862 5.902 . 0 0 "[ . 1 . 2]" 1
1004 1 65 GLU QB 1 66 ASP HA 1.800 . 6.000 4.571 4.279 4.970 . 0 0 "[ . 1 . 2]" 1
1005 1 4 ILE QG 1 66 ASP HA 1.800 . 6.000 4.975 4.136 5.947 . 0 0 "[ . 1 . 2]" 1
1006 1 4 ILE MG 1 66 ASP HA 1.800 . 5.000 3.252 1.972 4.628 . 0 0 "[ . 1 . 2]" 1
1007 1 65 GLU QB 1 66 ASP QB 1.800 . 5.000 3.779 3.268 4.676 . 0 0 "[ . 1 . 2]" 1
1008 1 65 GLU QG 1 66 ASP QB 1.800 . 4.500 3.470 2.767 4.522 0.022 11 0 "[ . 1 . 2]" 1
1009 1 65 GLU H 1 67 GLU H 1.800 . 4.500 4.015 2.587 4.560 0.060 9 0 "[ . 1 . 2]" 1
1010 1 66 ASP HA 1 67 GLU H 1.800 . 5.000 3.517 3.000 3.588 . 0 0 "[ . 1 . 2]" 1
1011 1 66 ASP QB 1 67 GLU H 1.800 . 4.500 2.576 1.972 3.774 . 0 0 "[ . 1 . 2]" 1
1012 1 66 ASP H 1 67 GLU H 1.800 . 3.500 2.310 2.005 2.700 . 0 0 "[ . 1 . 2]" 1
1013 1 67 GLU H 1 67 GLU QG 1.800 . 5.000 3.571 2.726 4.208 . 0 0 "[ . 1 . 2]" 1
1014 1 67 GLU H 1 68 ASP H 1.800 . 5.000 4.131 3.473 4.506 . 0 0 "[ . 1 . 2]" 1
1015 1 6 LEU HA 1 67 GLU HA 1.800 . 5.000 4.643 3.905 5.034 0.034 19 0 "[ . 1 . 2]" 1
1016 1 7 LYS QE 1 67 GLU HA 1.800 . 6.000 4.854 3.898 5.849 . 0 0 "[ . 1 . 2]" 1
1017 1 7 LYS QE 1 67 GLU QG 1.800 . 5.000 3.965 2.992 4.982 . 0 0 "[ . 1 . 2]" 1
1018 1 66 ASP HA 1 68 ASP H 1.800 . 6.000 5.549 4.898 5.952 . 0 0 "[ . 1 . 2]" 1
1019 1 67 GLU HA 1 68 ASP H 1.800 . 3.500 2.184 2.136 2.305 . 0 0 "[ . 1 . 2]" 1
1020 1 67 GLU QB 1 68 ASP H 1.800 . 5.000 3.680 3.191 3.991 . 0 0 "[ . 1 . 2]" 1
1021 1 67 GLU HB3 1 68 ASP H 1.800 . 6.000 3.893 3.292 4.332 . 0 0 "[ . 1 . 2]" 1
1022 1 67 GLU HB2 1 68 ASP H 1.800 . 6.000 4.559 4.287 4.678 . 0 0 "[ . 1 . 2]" 1
1023 1 6 LEU HA 1 68 ASP QB 1.800 . 6.000 3.115 1.936 3.836 . 0 0 "[ . 1 . 2]" 1
1024 1 6 LEU MD1 1 68 ASP QB 1.800 . 5.000 2.651 1.782 4.077 0.018 7 0 "[ . 1 . 2]" 1
1025 1 6 LEU MD2 1 68 ASP QB 1.800 . 5.000 3.011 1.995 4.538 . 0 0 "[ . 1 . 2]" 1
1026 1 6 LEU HG 1 68 ASP HB3 1.800 . 5.000 2.617 1.878 4.630 . 0 0 "[ . 1 . 2]" 1
1027 1 6 LEU HG 1 68 ASP HB2 1.800 . 5.000 3.443 1.940 5.007 0.007 11 0 "[ . 1 . 2]" 1
1028 1 64 MET QB 1 68 ASP QB 1.800 . 5.000 2.910 1.935 4.154 . 0 0 "[ . 1 . 2]" 1
1029 1 64 MET QG 1 68 ASP QB 1.800 . 6.000 2.901 1.860 3.912 . 0 0 "[ . 1 . 2]" 1
1030 1 48 PHE QD 1 69 THR H 1.800 . 5.000 4.441 3.760 4.994 . 0 0 "[ . 1 . 2]" 1
1031 1 68 ASP HA 1 69 THR H 1.800 . 3.000 2.235 2.138 2.426 . 0 0 "[ . 1 . 2]" 1
1032 1 68 ASP QB 1 69 THR H 1.800 . 4.500 3.378 2.425 3.940 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ASP HB3 1 69 THR H 1.800 . 5.000 3.636 2.454 4.412 . 0 0 "[ . 1 . 2]" 1
1034 1 68 ASP HB2 1 69 THR H 1.800 . 5.000 4.176 3.765 4.481 . 0 0 "[ . 1 . 2]" 1
1035 1 68 ASP H 1 69 THR H 1.800 . 5.000 4.285 3.902 4.412 . 0 0 "[ . 1 . 2]" 1
1036 1 69 THR H 1 69 THR HB 1.800 . 4.000 3.575 3.166 3.865 . 0 0 "[ . 1 . 2]" 1
1037 1 69 THR H 1 69 THR MG 1.800 . 6.000 3.167 2.259 3.770 . 0 0 "[ . 1 . 2]" 1
1038 1 69 THR H 1 70 ILE H 1.800 . 6.000 4.450 4.362 4.542 . 0 0 "[ . 1 . 2]" 1
1039 1 6 LEU HA 1 69 THR HA 1.800 . 6.000 4.257 3.699 4.974 . 0 0 "[ . 1 . 2]" 1
1040 1 8 VAL HA 1 69 THR HA 1.800 . 6.000 4.794 4.441 5.702 . 0 0 "[ . 1 . 2]" 1
1041 1 7 LYS HB3 1 69 THR HA 1.800 . 5.000 4.030 3.563 4.781 . 0 0 "[ . 1 . 2]" 1
1042 1 7 LYS HB2 1 69 THR HA 1.800 . 5.000 2.934 2.398 3.669 . 0 0 "[ . 1 . 2]" 1
1043 1 7 LYS QG 1 69 THR HA 1.800 . 6.000 4.823 3.635 5.505 . 0 0 "[ . 1 . 2]" 1
1044 1 6 LEU HA 1 69 THR MG 1.800 . 6.000 4.915 3.699 5.908 . 0 0 "[ . 1 . 2]" 1
1045 1 7 LYS HB3 1 69 THR MG 1.800 . 5.000 3.204 2.171 5.032 0.032 9 0 "[ . 1 . 2]" 1
1046 1 7 LYS HB2 1 69 THR MG 1.800 . 5.000 2.394 1.852 4.105 . 0 0 "[ . 1 . 2]" 1
1047 1 7 LYS QG 1 69 THR MG 1.800 . 6.000 3.700 2.382 5.033 . 0 0 "[ . 1 . 2]" 1
1048 1 68 ASP HA 1 69 THR MG 1.800 . 5.000 4.144 3.469 5.003 0.003 12 0 "[ . 1 . 2]" 1
1049 1 7 LYS QB 1 70 ILE H 1.800 . 6.000 3.840 3.411 4.361 . 0 0 "[ . 1 . 2]" 1
1050 1 8 VAL HA 1 70 ILE H 1.800 . 4.500 3.225 2.680 4.161 . 0 0 "[ . 1 . 2]" 1
1051 1 9 ALA MB 1 70 ILE H 1.800 . 6.000 4.223 3.867 4.802 . 0 0 "[ . 1 . 2]" 1
1052 1 69 THR HA 1 70 ILE H 1.800 . 3.000 2.217 2.143 2.333 . 0 0 "[ . 1 . 2]" 1
1053 1 69 THR HB 1 70 ILE H 1.800 . 6.000 3.176 2.764 3.896 . 0 0 "[ . 1 . 2]" 1
1054 1 69 THR MG 1 70 ILE H 1.800 . 4.500 3.533 2.737 3.994 . 0 0 "[ . 1 . 2]" 1
1055 1 70 ILE H 1 70 ILE HA 1.800 . 3.000 2.926 2.893 2.948 . 0 0 "[ . 1 . 2]" 1
1056 1 70 ILE H 1 70 ILE QG 1.800 . 5.000 2.421 1.996 3.054 . 0 0 "[ . 1 . 2]" 1
1057 1 70 ILE H 1 70 ILE MD 1.800 . 6.000 2.997 1.997 4.100 . 0 0 "[ . 1 . 2]" 1
1058 1 70 ILE H 1 71 ASP H 1.800 . 6.000 4.421 4.343 4.479 . 0 0 "[ . 1 . 2]" 1
1059 1 48 PHE QB 1 70 ILE HA 1.800 . 6.000 4.352 4.055 4.728 . 0 0 "[ . 1 . 2]" 1
1060 1 8 VAL HA 1 70 ILE HB 1.800 . 4.500 3.951 2.287 4.552 0.052 16 0 "[ . 1 . 2]" 1
1061 1 8 VAL QG 1 70 ILE HB 1.800 . 5.000 3.531 1.893 4.172 . 0 0 "[ . 1 . 2]" 1
1062 1 46 PHE HA 1 70 ILE MG 1.800 . 5.000 4.614 3.615 5.031 0.031 14 0 "[ . 1 . 2]" 1
1063 1 46 PHE QD 1 70 ILE MG 1.800 . 5.000 3.105 1.893 4.296 . 0 0 "[ . 1 . 2]" 1
1064 1 48 PHE HA 1 70 ILE QG 1.800 . 5.000 4.691 4.301 4.979 . 0 0 "[ . 1 . 2]" 1
1065 1 48 PHE QB 1 70 ILE QG 1.800 . 5.000 4.737 3.729 5.028 0.028 8 0 "[ . 1 . 2]" 1
1066 1 33 TYR QE 1 70 ILE MD 1.800 . 6.000 5.432 4.983 6.003 0.003 2 0 "[ . 1 . 2]" 1
1067 1 29 LEU QD 1 70 ILE MD 1.800 . 5.000 2.831 2.139 3.633 . 0 0 "[ . 1 . 2]" 1
1068 1 29 LEU MD1 1 70 ILE MD 1.800 . 6.000 3.844 2.689 5.008 . 0 0 "[ . 1 . 2]" 1
1069 1 29 LEU MD2 1 70 ILE MD 1.800 . 6.000 3.150 2.150 4.602 . 0 0 "[ . 1 . 2]" 1
1070 1 48 PHE QB 1 70 ILE MD 1.800 . 6.000 5.360 4.516 6.011 0.011 15 0 "[ . 1 . 2]" 1
1071 1 48 PHE QD 1 70 ILE MD 1.800 . 6.000 4.982 3.920 5.707 . 0 0 "[ . 1 . 2]" 1
1072 1 9 ALA MB 1 71 ASP H 1.800 . 6.000 4.909 4.121 5.245 . 0 0 "[ . 1 . 2]" 1
1073 1 46 PHE QB 1 71 ASP H 1.800 . 6.000 5.015 3.829 5.752 . 0 0 "[ . 1 . 2]" 1
1074 1 46 PHE QD 1 71 ASP H 1.800 . 6.000 4.922 3.551 5.959 . 0 0 "[ . 1 . 2]" 1
1075 1 47 ARG QD 1 71 ASP H 1.800 . 6.000 5.550 5.121 5.978 . 0 0 "[ . 1 . 2]" 1
1076 1 48 PHE HA 1 71 ASP H 1.800 . 4.500 3.621 3.250 4.130 . 0 0 "[ . 1 . 2]" 1
1077 1 48 PHE QD 1 71 ASP H 1.800 . 6.000 5.128 4.474 5.919 . 0 0 "[ . 1 . 2]" 1
1078 1 70 ILE HA 1 71 ASP H 1.800 . 3.000 2.394 2.246 2.528 . 0 0 "[ . 1 . 2]" 1
1079 1 70 ILE HB 1 71 ASP H 1.800 . 3.000 2.677 2.103 3.053 0.053 12 0 "[ . 1 . 2]" 1
1080 1 70 ILE QG 1 71 ASP H 1.800 . 5.000 4.236 3.791 4.638 . 0 0 "[ . 1 . 2]" 1
1081 1 70 ILE MG 1 71 ASP H 1.800 . 4.000 2.875 1.970 3.468 . 0 0 "[ . 1 . 2]" 1
1082 1 71 ASP H 1 71 ASP QB 1.800 . 3.000 2.550 2.331 2.928 . 0 0 "[ . 1 . 2]" 1
1083 1 71 ASP H 1 72 VAL H 1.800 . 5.000 4.097 3.812 4.443 . 0 0 "[ . 1 . 2]" 1
1084 1 71 ASP H 1 73 PHE H 1.800 . 6.000 5.991 5.552 6.038 0.038 17 0 "[ . 1 . 2]" 1
1085 1 9 ALA MB 1 71 ASP HA 1.800 . 5.000 2.808 2.052 3.137 . 0 0 "[ . 1 . 2]" 1
1086 1 8 VAL QG 1 72 VAL H 1.800 . 6.000 2.925 2.130 3.466 . 0 0 "[ . 1 . 2]" 1
1087 1 10 GLY QA 1 72 VAL H 1.800 . 4.000 3.049 2.198 3.496 . 0 0 "[ . 1 . 2]" 1
1088 1 71 ASP HA 1 72 VAL H 1.800 . 3.000 2.177 2.151 2.238 . 0 0 "[ . 1 . 2]" 1
1089 1 71 ASP QB 1 72 VAL H 1.800 . 4.500 3.611 3.066 3.928 . 0 0 "[ . 1 . 2]" 1
1090 1 72 VAL H 1 72 VAL HB 1.800 . 4.000 2.836 2.670 3.664 . 0 0 "[ . 1 . 2]" 1
1091 1 72 VAL H 1 72 VAL MG1 1.800 . 4.500 2.006 1.920 2.422 . 0 0 "[ . 1 . 2]" 1
1092 1 72 VAL H 1 72 VAL MG2 1.800 . 4.500 3.628 1.964 3.855 . 0 0 "[ . 1 . 2]" 1
1093 1 72 VAL H 1 73 PHE QD 1.800 . 5.000 4.537 3.886 4.983 . 0 0 "[ . 1 . 2]" 1
1094 1 72 VAL H 1 73 PHE H 1.800 . 5.000 4.387 4.144 4.475 . 0 0 "[ . 1 . 2]" 1
1095 1 8 VAL QG 1 72 VAL HB 1.800 . 6.000 2.532 1.948 3.961 . 0 0 "[ . 1 . 2]" 1
1096 1 8 VAL QG 1 72 VAL QG 1.800 . 6.000 2.034 1.797 2.578 0.003 14 0 "[ . 1 . 2]" 1
1097 1 44 ILE MG 1 72 VAL HB 1.800 . 6.000 4.307 3.322 5.036 . 0 0 "[ . 1 . 2]" 1
1098 1 33 TYR QD 1 72 VAL MG1 1.800 . 6.000 3.686 2.885 4.147 . 0 0 "[ . 1 . 2]" 1
1099 1 33 TYR QD 1 72 VAL MG2 1.800 . 6.000 3.287 2.813 3.814 . 0 0 "[ . 1 . 2]" 1
1100 1 33 TYR QE 1 72 VAL MG1 1.800 . 5.000 2.299 1.908 3.543 . 0 0 "[ . 1 . 2]" 1
1101 1 33 TYR QE 1 72 VAL MG2 1.800 . 5.000 2.732 1.910 3.633 . 0 0 "[ . 1 . 2]" 1
1102 1 44 ILE HB 1 72 VAL QG 1.800 . 6.000 4.687 4.135 5.792 . 0 0 "[ . 1 . 2]" 1
1103 1 46 PHE QD 1 72 VAL HB 1.800 . 6.000 3.343 2.145 3.951 . 0 0 "[ . 1 . 2]" 1
1104 1 46 PHE QD 1 72 VAL QG 1.800 . 5.000 2.582 1.983 3.076 . 0 0 "[ . 1 . 2]" 1
1105 1 46 PHE QE 1 72 VAL QG 1.800 . 5.000 2.409 1.999 2.931 . 0 0 "[ . 1 . 2]" 1
1106 1 70 ILE HB 1 72 VAL QG 1.800 . 6.000 4.867 3.067 5.302 . 0 0 "[ . 1 . 2]" 1
1107 1 72 VAL HA 1 73 PHE QD 1.800 . 6.000 3.882 3.402 4.672 . 0 0 "[ . 1 . 2]" 1
1108 1 44 ILE MG 1 73 PHE H 1.800 . 6.000 4.465 3.957 4.902 . 0 0 "[ . 1 . 2]" 1
1109 1 45 ARG QB 1 73 PHE H 1.800 . 5.000 3.429 2.533 4.586 . 0 0 "[ . 1 . 2]" 1
1110 1 45 ARG HB3 1 73 PHE H 1.800 . 6.000 3.782 2.558 5.561 . 0 0 "[ . 1 . 2]" 1
1111 1 45 ARG HB2 1 73 PHE H 1.800 . 6.000 4.613 2.726 5.100 . 0 0 "[ . 1 . 2]" 1
1112 1 72 VAL HA 1 73 PHE H 1.800 . 3.000 2.123 2.110 2.148 . 0 0 "[ . 1 . 2]" 1
1113 1 72 VAL MG1 1 73 PHE H 1.800 . 5.000 4.089 3.988 4.198 . 0 0 "[ . 1 . 2]" 1
1114 1 72 VAL MG2 1 73 PHE H 1.800 . 5.000 2.988 2.607 4.136 . 0 0 "[ . 1 . 2]" 1
1115 1 73 PHE H 1 73 PHE QD 1.800 . 5.000 2.931 2.480 3.702 . 0 0 "[ . 1 . 2]" 1
1116 1 45 ARG QG 1 73 PHE QB 1.800 . 6.000 2.903 2.021 3.976 . 0 0 "[ . 1 . 2]" 1
1117 1 47 ARG HG3 1 73 PHE QB 1.800 . 6.000 3.628 2.776 5.220 . 0 0 "[ . 1 . 2]" 1
1118 1 47 ARG HG2 1 73 PHE QB 1.800 . 6.000 4.816 3.112 5.816 . 0 0 "[ . 1 . 2]" 1
1119 1 11 GLN QB 1 73 PHE HA 1.800 . 4.500 2.691 2.065 3.484 . 0 0 "[ . 1 . 2]" 1
1120 1 73 PHE HA 1 73 PHE QD 1.800 . 5.000 2.707 1.941 3.105 . 0 0 "[ . 1 . 2]" 1
1121 1 73 PHE HA 1 74 GLN H 1.800 . 3.000 2.342 2.158 2.518 . 0 0 "[ . 1 . 2]" 1
1122 1 73 PHE QB 1 74 GLN H 1.800 . 4.500 2.674 2.171 3.344 . 0 0 "[ . 1 . 2]" 1
1123 1 73 PHE HB3 1 74 GLN H 1.800 . 5.000 2.727 2.192 3.458 . 0 0 "[ . 1 . 2]" 1
1124 1 73 PHE HB2 1 74 GLN H 1.800 . 5.000 3.925 3.450 4.441 . 0 0 "[ . 1 . 2]" 1
1125 1 73 PHE QD 1 74 GLN H 1.800 . 5.000 3.793 3.231 4.286 . 0 0 "[ . 1 . 2]" 1
1126 1 74 GLN H 1 74 GLN QG 1.800 . 5.000 3.250 2.083 4.011 . 0 0 "[ . 1 . 2]" 1
1127 1 74 GLN H 1 75 GLN H 1.800 . 5.000 4.275 2.889 4.612 . 0 0 "[ . 1 . 2]" 1
1128 1 74 GLN H 1 74 GLN HE21 1.800 . 6.000 4.479 2.645 5.590 . 0 0 "[ . 1 . 2]" 1
1129 1 74 GLN H 1 74 GLN HE22 1.800 . 6.000 5.321 4.277 6.006 0.006 16 0 "[ . 1 . 2]" 1
1130 1 74 GLN HB3 1 74 GLN HE21 1.800 . 6.000 4.032 2.618 4.580 . 0 0 "[ . 1 . 2]" 1
1131 1 74 GLN HB2 1 74 GLN HE21 1.800 . 6.000 3.586 2.169 4.633 . 0 0 "[ . 1 . 2]" 1
1132 1 44 ILE HA 1 74 GLN HA 1.800 . 4.000 3.485 2.925 3.887 . 0 0 "[ . 1 . 2]" 1
1133 1 44 ILE H 1 74 GLN HA 1.800 . 6.000 5.747 5.004 6.028 0.028 5 0 "[ . 1 . 2]" 1
1134 1 44 ILE HA 1 74 GLN QG 1.800 . 5.000 3.870 2.508 5.012 0.012 9 0 "[ . 1 . 2]" 1
1135 1 44 ILE MG 1 74 GLN QG 1.800 . 6.000 3.870 2.836 4.812 . 0 0 "[ . 1 . 2]" 1
1136 1 44 ILE HA 1 75 GLN H 1.800 . 5.000 4.537 3.251 5.016 0.016 2 0 "[ . 1 . 2]" 1
1137 1 44 ILE MD 1 75 GLN H 1.800 . 6.000 5.276 4.393 6.023 0.023 1 0 "[ . 1 . 2]" 1
1138 1 44 ILE MG 1 75 GLN H 1.800 . 6.000 5.728 4.752 6.011 0.011 10 0 "[ . 1 . 2]" 1
1139 1 74 GLN HA 1 75 GLN H 1.800 . 3.500 2.295 2.139 2.895 . 0 0 "[ . 1 . 2]" 1
1140 1 74 GLN QB 1 75 GLN H 1.800 . 4.000 3.034 2.457 3.821 . 0 0 "[ . 1 . 2]" 1
1141 1 74 GLN HB3 1 75 GLN H 1.800 . 5.000 3.289 2.484 4.449 . 0 0 "[ . 1 . 2]" 1
1142 1 74 GLN HB2 1 75 GLN H 1.800 . 5.000 3.982 2.600 4.463 . 0 0 "[ . 1 . 2]" 1
1143 1 74 GLN QG 1 75 GLN H 1.800 . 6.000 3.872 2.859 4.631 . 0 0 "[ . 1 . 2]" 1
1144 1 75 GLN H 1 75 GLN QG 1.800 . 5.500 3.235 2.038 4.292 . 0 0 "[ . 1 . 2]" 1
1145 1 75 GLN HA 1 75 GLN HE21 1.800 . 6.000 4.357 2.216 5.266 . 0 0 "[ . 1 . 2]" 1
1146 1 75 GLN HA 1 75 GLN HE22 1.800 . 6.000 5.127 3.853 5.949 . 0 0 "[ . 1 . 2]" 1
1147 1 75 GLN H 1 75 GLN HE21 1.800 . 6.000 4.846 3.098 5.682 . 0 0 "[ . 1 . 2]" 1
1148 1 75 GLN H 1 75 GLN HE22 1.800 . 6.000 5.552 4.366 6.012 0.012 7 0 "[ . 1 . 2]" 1
1149 1 75 GLN QG 1 76 GLN HA 1.800 . 6.000 5.300 3.927 6.003 0.003 20 0 "[ . 1 . 2]" 1
1150 1 75 GLN HA 1 76 GLN H 1.800 . 5.000 2.551 2.146 3.571 . 0 0 "[ . 1 . 2]" 1
1151 1 75 GLN H 1 76 GLN H 1.800 . 5.000 4.015 2.590 4.644 . 0 0 "[ . 1 . 2]" 1
1152 1 75 GLN QB 1 76 GLN H 1.800 . 4.500 2.873 2.041 3.816 . 0 0 "[ . 1 . 2]" 1
1153 1 76 GLN H 1 76 GLN QG 1.800 . 6.000 3.751 2.537 4.374 . 0 0 "[ . 1 . 2]" 1
1154 1 76 GLN HA 1 77 THR H 1.800 . 4.000 2.901 2.147 3.583 . 0 0 "[ . 1 . 2]" 1
1155 1 76 GLN H 1 77 THR H 1.800 . 5.500 3.274 1.958 4.614 . 0 0 "[ . 1 . 2]" 1
1156 1 77 THR H 1 77 THR MG 1.800 . 6.000 3.674 2.366 4.054 . 0 0 "[ . 1 . 2]" 1
1157 1 77 THR HA 1 78 GLY H 1.800 . 5.000 2.794 2.167 3.596 . 0 0 "[ . 1 . 2]" 1
1158 1 77 THR H 1 78 GLY H 1.800 . 4.000 3.174 2.118 4.027 0.027 16 0 "[ . 1 . 2]" 1
1159 1 77 THR HB 1 78 GLY H 1.800 . 6.000 3.653 2.104 4.521 . 0 0 "[ . 1 . 2]" 1
1160 1 77 THR MG 1 78 GLY H 1.800 . 6.000 3.736 3.203 4.418 . 0 0 "[ . 1 . 2]" 1
1161 1 78 GLY QA 1 79 GLY H 1.800 . 4.500 2.303 2.119 2.759 . 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 56
_Distance_constraint_stats_list.Viol_count 34
_Distance_constraint_stats_list.Viol_total 15.780
_Distance_constraint_stats_list.Viol_max 0.085
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0232
_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 4 ILE 0.008 0.007 2 0 "[ . 1 . 2]"
1 5 ASN 0.048 0.034 16 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.008 0.007 2 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.005 0.005 9 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.005 0.005 9 0 "[ . 1 . 2]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASN 0.510 0.085 14 0 "[ . 1 . 2]"
1 57 ASP 0.510 0.085 14 0 "[ . 1 . 2]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.018 0.011 11 0 "[ . 1 . 2]"
1 60 ALA 0.200 0.030 20 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.018 0.011 11 0 "[ . 1 . 2]"
1 64 MET 0.200 0.030 20 0 "[ . 1 . 2]"
1 68 ASP 0.048 0.034 16 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 LEU O 1 30 MET H 1.800 . 2.400 1.828 1.679 2.120 . 0 0 "[ . 1 . 2]" 2
2 1 26 LEU O 1 30 MET N 2.700 2.400 3.300 2.790 2.639 3.092 . 0 0 "[ . 1 . 2]" 2
3 1 28 LYS O 1 32 ALA H 1.800 . 2.400 2.166 1.856 2.360 . 0 0 "[ . 1 . 2]" 2
4 1 28 LYS O 1 32 ALA N 2.700 2.400 3.300 3.118 2.813 3.305 0.005 9 0 "[ . 1 . 2]" 2
5 1 29 LEU O 1 33 TYR H 1.800 . 2.400 1.889 1.652 2.120 . 0 0 "[ . 1 . 2]" 2
6 1 29 LEU O 1 33 TYR N 2.700 2.400 3.300 2.783 2.607 3.019 . 0 0 "[ . 1 . 2]" 2
7 1 30 MET O 1 34 SER H 1.800 . 2.400 1.905 1.731 2.285 . 0 0 "[ . 1 . 2]" 2
8 1 30 MET O 1 34 SER N 2.700 2.400 3.300 2.851 2.652 3.265 . 0 0 "[ . 1 . 2]" 2
9 1 31 LYS O 1 35 GLU H 1.800 . 2.400 1.914 1.706 2.227 . 0 0 "[ . 1 . 2]" 2
10 1 31 LYS O 1 35 GLU N 2.700 2.400 3.300 2.825 2.627 3.089 . 0 0 "[ . 1 . 2]" 2
11 1 32 ALA O 1 36 ARG H 1.800 . 2.400 2.066 1.716 2.366 . 0 0 "[ . 1 . 2]" 2
12 1 32 ALA O 1 36 ARG N 2.700 2.400 3.300 2.951 2.657 3.231 . 0 0 "[ . 1 . 2]" 2
13 1 58 THR O 1 62 LEU H 1.800 . 2.400 1.982 1.768 2.337 . 0 0 "[ . 1 . 2]" 2
14 1 58 THR O 1 62 LEU N 2.700 2.400 3.300 2.815 2.611 3.074 . 0 0 "[ . 1 . 2]" 2
15 1 59 PRO O 1 63 GLU H 1.800 . 2.400 2.112 1.809 2.411 0.011 11 0 "[ . 1 . 2]" 2
16 1 59 PRO O 1 63 GLU N 2.700 2.400 3.300 2.972 2.660 3.280 . 0 0 "[ . 1 . 2]" 2
17 1 60 ALA O 1 64 MET H 1.800 . 2.400 2.375 2.177 2.430 0.030 20 0 "[ . 1 . 2]" 2
18 1 60 ALA O 1 64 MET N 2.700 2.400 3.300 3.234 3.066 3.322 0.022 19 0 "[ . 1 . 2]" 2
19 1 4 ILE H 1 20 ILE O 2.000 . 2.700 1.943 1.736 2.382 . 0 0 "[ . 1 . 2]" 2
20 1 4 ILE N 1 20 ILE O 3.000 2.400 3.700 2.870 2.605 3.359 . 0 0 "[ . 1 . 2]" 2
21 1 6 LEU H 1 18 PHE O 2.000 . 2.700 2.331 1.904 2.671 . 0 0 "[ . 1 . 2]" 2
22 1 6 LEU N 1 18 PHE O 3.000 2.400 3.700 3.236 2.824 3.633 . 0 0 "[ . 1 . 2]" 2
23 1 7 LYS H 1 68 ASP O 2.000 . 2.700 2.074 1.708 2.322 . 0 0 "[ . 1 . 2]" 2
24 1 7 LYS N 1 68 ASP O 3.000 2.400 3.700 3.006 2.679 3.264 . 0 0 "[ . 1 . 2]" 2
25 1 8 VAL H 1 16 VAL O 2.000 . 2.700 2.226 1.909 2.574 . 0 0 "[ . 1 . 2]" 2
26 1 8 VAL N 1 16 VAL O 3.000 2.400 3.700 3.051 2.817 3.374 . 0 0 "[ . 1 . 2]" 2
27 1 9 ALA H 1 70 ILE O 2.000 . 2.700 2.005 1.721 2.346 . 0 0 "[ . 1 . 2]" 2
28 1 9 ALA N 1 70 ILE O 3.000 2.400 3.700 2.930 2.599 3.264 . 0 0 "[ . 1 . 2]" 2
29 1 8 VAL O 1 16 VAL H 2.000 . 2.700 2.248 1.733 2.519 . 0 0 "[ . 1 . 2]" 2
30 1 8 VAL O 1 16 VAL N 3.000 2.400 3.700 3.186 2.706 3.489 . 0 0 "[ . 1 . 2]" 2
31 1 6 LEU O 1 18 PHE H 2.000 . 2.700 2.331 2.073 2.692 . 0 0 "[ . 1 . 2]" 2
32 1 6 LEU O 1 18 PHE N 3.000 2.400 3.700 3.193 2.820 3.453 . 0 0 "[ . 1 . 2]" 2
33 1 4 ILE O 1 20 ILE H 2.000 . 2.700 2.596 2.350 2.707 0.007 2 0 "[ . 1 . 2]" 2
34 1 4 ILE O 1 20 ILE N 3.000 2.400 3.700 3.482 3.256 3.605 . 0 0 "[ . 1 . 2]" 2
35 1 45 ARG H 1 73 PHE O 2.000 . 2.700 2.552 2.086 2.694 . 0 0 "[ . 1 . 2]" 2
36 1 45 ARG N 1 73 PHE O 3.000 2.400 3.700 3.151 2.669 3.433 . 0 0 "[ . 1 . 2]" 2
37 1 47 ARG H 1 71 ASP O 2.000 . 2.700 2.195 1.732 2.555 . 0 0 "[ . 1 . 2]" 2
38 1 47 ARG N 1 71 ASP O 3.000 2.400 3.700 2.899 2.617 3.261 . 0 0 "[ . 1 . 2]" 2
39 1 48 PHE H 1 51 GLN O 2.000 . 2.700 2.183 1.735 2.516 . 0 0 "[ . 1 . 2]" 2
40 1 48 PHE N 1 51 GLN O 3.000 2.400 3.700 3.098 2.676 3.452 . 0 0 "[ . 1 . 2]" 2
41 1 48 PHE O 1 51 GLN H 2.000 . 2.700 2.310 1.698 2.532 . 0 0 "[ . 1 . 2]" 2
42 1 48 PHE O 1 51 GLN N 3.000 2.400 3.700 3.006 2.601 3.156 . 0 0 "[ . 1 . 2]" 2
43 1 46 PHE O 1 53 ILE H 2.000 . 2.700 2.056 1.721 2.537 . 0 0 "[ . 1 . 2]" 2
44 1 46 PHE O 1 53 ILE N 3.000 2.400 3.700 2.977 2.693 3.422 . 0 0 "[ . 1 . 2]" 2
45 1 54 ASN O 1 57 ASP H 2.000 . 2.700 2.650 1.947 2.785 0.085 14 0 "[ . 1 . 2]" 2
46 1 54 ASN O 1 57 ASP N 3.000 2.400 3.700 3.440 2.895 3.667 . 0 0 "[ . 1 . 2]" 2
47 1 5 ASN O 1 68 ASP H 2.000 . 2.700 2.544 2.260 2.734 0.034 16 0 "[ . 1 . 2]" 2
48 1 5 ASN O 1 68 ASP N 3.000 2.400 3.700 3.404 3.115 3.684 . 0 0 "[ . 1 . 2]" 2
49 1 7 LYS O 1 70 ILE H 2.000 . 2.700 2.218 1.698 2.680 . 0 0 "[ . 1 . 2]" 2
50 1 7 LYS O 1 70 ILE N 3.000 2.400 3.700 3.171 2.647 3.654 . 0 0 "[ . 1 . 2]" 2
51 1 47 ARG O 1 71 ASP H 2.000 . 2.700 1.862 1.682 2.205 . 0 0 "[ . 1 . 2]" 2
52 1 47 ARG O 1 71 ASP N 3.000 2.400 3.700 2.788 2.650 3.038 . 0 0 "[ . 1 . 2]" 2
53 1 9 ALA O 1 72 VAL H 2.000 . 2.700 2.193 1.767 2.642 . 0 0 "[ . 1 . 2]" 2
54 1 9 ALA O 1 72 VAL N 3.000 2.400 3.700 2.949 2.688 3.493 . 0 0 "[ . 1 . 2]" 2
55 1 45 ARG O 1 73 PHE H 2.000 . 2.700 1.970 1.803 2.291 . 0 0 "[ . 1 . 2]" 2
56 1 45 ARG O 1 73 PHE N 3.000 2.400 3.700 2.776 2.603 2.969 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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