NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
554013 |
2luq   |
18535 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2luq
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 1469
_Distance_constraint_stats_list.Viol_count 3184
_Distance_constraint_stats_list.Viol_total 2996.277
_Distance_constraint_stats_list.Viol_max 0.205
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0471
_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 3 LEU 0.799 0.078 9 0 "[ . 1 . 2]"
1 4 ASP 0.497 0.078 9 0 "[ . 1 . 2]"
1 5 MET 0.963 0.060 19 0 "[ . 1 . 2]"
1 6 ASN 3.785 0.172 20 0 "[ . 1 . 2]"
1 7 ALA 10.891 0.154 14 0 "[ . 1 . 2]"
1 8 LYS 2.390 0.172 20 0 "[ . 1 . 2]"
1 9 ARG 3.818 0.149 9 0 "[ . 1 . 2]"
1 10 GLN 8.328 0.167 10 0 "[ . 1 . 2]"
1 11 LEU 7.146 0.141 13 0 "[ . 1 . 2]"
1 12 TYR 7.662 0.186 5 0 "[ . 1 . 2]"
1 13 SER 4.249 0.186 5 0 "[ . 1 . 2]"
1 14 LEU 0.305 0.109 10 0 "[ . 1 . 2]"
1 15 ILE 8.906 0.205 13 0 "[ . 1 . 2]"
1 16 GLY 1.379 0.178 14 0 "[ . 1 . 2]"
1 17 TYR 0.175 0.041 6 0 "[ . 1 . 2]"
1 20 LEU 2.958 0.205 13 0 "[ . 1 . 2]"
1 21 ARG 0.877 0.071 14 0 "[ . 1 . 2]"
1 22 LEU 7.254 0.141 13 0 "[ . 1 . 2]"
1 23 HIS 2.202 0.149 13 0 "[ . 1 . 2]"
1 24 TYR 2.685 0.101 4 0 "[ . 1 . 2]"
1 25 VAL 6.381 0.149 13 0 "[ . 1 . 2]"
1 26 THR 0.823 0.078 12 0 "[ . 1 . 2]"
1 27 VAL 1.751 0.122 19 0 "[ . 1 . 2]"
1 28 LYS 3.935 0.122 19 0 "[ . 1 . 2]"
1 29 LYS 1.719 0.095 17 0 "[ . 1 . 2]"
1 31 THR 1.094 0.071 19 0 "[ . 1 . 2]"
1 32 ALA 1.223 0.052 16 0 "[ . 1 . 2]"
1 33 VAL 4.130 0.100 11 0 "[ . 1 . 2]"
1 34 ASP 2.156 0.093 2 0 "[ . 1 . 2]"
1 36 ASN 0.374 0.033 7 0 "[ . 1 . 2]"
1 37 SER 4.345 0.100 7 0 "[ . 1 . 2]"
1 38 ILE 0.770 0.055 10 0 "[ . 1 . 2]"
1 39 VAL 2.719 0.131 16 0 "[ . 1 . 2]"
1 40 GLU 2.761 0.122 10 0 "[ . 1 . 2]"
1 41 CYS 4.960 0.125 5 0 "[ . 1 . 2]"
1 42 ARG 0.768 0.067 20 0 "[ . 1 . 2]"
1 43 VAL 1.546 0.102 20 0 "[ . 1 . 2]"
1 44 GLY 0.933 0.071 14 0 "[ . 1 . 2]"
1 45 ASP 0.224 0.040 13 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 1.032 0.072 13 0 "[ . 1 . 2]"
1 48 VAL 0.609 0.047 14 0 "[ . 1 . 2]"
1 49 LEU 5.060 0.144 19 0 "[ . 1 . 2]"
1 50 GLY 1.761 0.099 19 0 "[ . 1 . 2]"
1 51 THR 0.914 0.071 20 0 "[ . 1 . 2]"
1 52 GLY 0.275 0.049 15 0 "[ . 1 . 2]"
1 53 VAL 2.275 0.101 12 0 "[ . 1 . 2]"
1 54 GLY 2.357 0.114 7 0 "[ . 1 . 2]"
1 55 ARG 3.257 0.101 13 0 "[ . 1 . 2]"
1 56 ASN 0.934 0.073 7 0 "[ . 1 . 2]"
1 57 ILE 3.649 0.136 17 0 "[ . 1 . 2]"
1 58 LYS 12.648 0.168 19 0 "[ . 1 . 2]"
1 59 ILE 6.148 0.142 9 0 "[ . 1 . 2]"
1 60 ALA 2.773 0.142 9 0 "[ . 1 . 2]"
1 61 GLY 1.012 0.081 20 0 "[ . 1 . 2]"
1 62 ILE 4.566 0.139 13 0 "[ . 1 . 2]"
1 63 ARG 3.568 0.154 14 0 "[ . 1 . 2]"
1 64 ALA 1.177 0.072 20 0 "[ . 1 . 2]"
1 65 ALA 9.289 0.168 2 0 "[ . 1 . 2]"
1 66 GLU 6.455 0.168 2 0 "[ . 1 . 2]"
1 67 ASN 6.353 0.163 14 0 "[ . 1 . 2]"
1 68 ALA 3.311 0.098 20 0 "[ . 1 . 2]"
1 69 LEU 6.733 0.160 17 0 "[ . 1 . 2]"
1 70 ARG 7.171 0.163 14 0 "[ . 1 . 2]"
1 71 ASP 1.346 0.117 14 0 "[ . 1 . 2]"
1 72 LYS 4.302 0.128 19 0 "[ . 1 . 2]"
1 73 LYS 5.437 0.156 17 0 "[ . 1 . 2]"
1 74 MET 5.255 0.156 17 0 "[ . 1 . 2]"
1 75 LEU 2.326 0.109 10 0 "[ . 1 . 2]"
1 76 ASP 7.391 0.139 14 0 "[ . 1 . 2]"
1 77 PHE 4.110 0.135 11 0 "[ . 1 . 2]"
1 78 TYR 4.747 0.145 15 0 "[ . 1 . 2]"
1 79 ALA 4.351 0.115 7 0 "[ . 1 . 2]"
1 80 LYS 10.918 0.135 11 0 "[ . 1 . 2]"
1 81 GLN 4.841 0.116 12 0 "[ . 1 . 2]"
1 82 ARG 3.536 0.133 4 0 "[ . 1 . 2]"
1 83 ALA 2.901 0.133 4 0 "[ . 1 . 2]"
1 84 ALA 0.902 0.067 15 0 "[ . 1 . 2]"
1 85 ILE 0.363 0.067 15 0 "[ . 1 . 2]"
1 87 ARG 0.125 0.067 18 0 "[ . 1 . 2]"
1 88 SER 0.149 0.067 18 0 "[ . 1 . 2]"
1 89 GLU 0.552 0.058 4 0 "[ . 1 . 2]"
1 90 SER 0.496 0.058 4 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 3 LEU HB3 1 3 LEU MD2 3.500 . 3.500 2.922 1.922 3.195 . 0 0 "[ . 1 . 2]" 1
2 1 3 LEU HB2 1 3 LEU MD2 3.500 . 3.500 2.415 2.151 3.022 . 0 0 "[ . 1 . 2]" 1
3 1 3 LEU HB3 1 3 LEU MD1 3.500 . 3.500 2.506 2.156 3.176 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU HB2 1 3 LEU MD1 3.500 . 3.500 2.925 2.022 3.196 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU MD1 1 59 ILE HA 3.500 . 3.500 2.677 1.892 3.137 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU MD1 1 59 ILE HG13 4.500 . 4.500 4.265 3.646 4.529 0.029 19 0 "[ . 1 . 2]" 1
7 1 3 LEU MD1 1 59 ILE HG12 5.500 . 5.500 5.077 4.352 5.424 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU HG 1 54 GLY HA3 5.500 . 5.500 5.459 5.296 5.570 0.070 17 0 "[ . 1 . 2]" 1
9 1 3 LEU H 1 4 ASP HA 5.500 . 5.500 5.210 4.725 5.501 0.001 4 0 "[ . 1 . 2]" 1
10 1 4 ASP HB3 1 6 ASN HB2 5.500 . 5.500 5.243 4.851 5.513 0.013 19 0 "[ . 1 . 2]" 1
11 1 4 ASP HB2 1 6 ASN HB2 6.500 . 6.500 6.443 6.180 6.533 0.033 7 0 "[ . 1 . 2]" 1
12 1 3 LEU HB3 1 4 ASP H 3.500 . 3.500 3.022 2.557 3.403 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU MD2 1 4 ASP H 4.500 . 4.500 3.888 3.595 4.224 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU HG 1 4 ASP H 4.500 . 4.500 4.492 4.346 4.578 0.078 9 0 "[ . 1 . 2]" 1
15 1 3 LEU H 1 4 ASP H 5.500 . 5.500 4.459 4.260 4.638 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASP H 1 4 ASP HB2 3.500 . 3.500 2.390 2.180 2.535 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASP H 1 7 ALA HA 6.500 . 6.500 6.252 5.861 6.506 0.006 5 0 "[ . 1 . 2]" 1
18 1 3 LEU MD1 1 5 MET HA 5.500 . 5.500 4.943 4.140 5.510 0.010 5 0 "[ . 1 . 2]" 1
19 1 4 ASP HB2 1 5 MET HA 5.500 . 5.500 4.985 4.613 5.202 . 0 0 "[ . 1 . 2]" 1
20 1 5 MET HB2 1 6 ASN HB2 4.500 . 4.500 3.716 3.372 4.453 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASP HA 1 5 MET H 3.500 . 3.500 2.696 2.616 2.806 . 0 0 "[ . 1 . 2]" 1
22 1 4 ASP HB3 1 5 MET H 4.500 . 4.500 1.884 1.831 2.020 . 0 0 "[ . 1 . 2]" 1
23 1 4 ASP H 1 5 MET H 6.000 . 6.000 4.437 4.348 4.590 . 0 0 "[ . 1 . 2]" 1
24 1 5 MET H 1 5 MET HB2 3.500 . 3.500 2.695 2.249 3.489 . 0 0 "[ . 1 . 2]" 1
25 1 5 MET H 1 6 ASN HB3 6.500 . 6.500 5.679 5.522 5.902 . 0 0 "[ . 1 . 2]" 1
26 1 5 MET H 1 7 ALA H 5.500 . 5.500 4.801 4.606 4.911 . 0 0 "[ . 1 . 2]" 1
27 1 5 MET HA 1 6 ASN H 3.500 . 3.500 3.548 3.531 3.560 0.060 19 0 "[ . 1 . 2]" 1
28 1 6 ASN H 1 6 ASN HB2 3.500 . 3.500 2.471 2.434 2.496 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASN H 1 7 ALA MB 5.500 . 5.500 4.573 4.508 4.627 . 0 0 "[ . 1 . 2]" 1
30 1 6 ASN H 1 8 LYS H 6.000 . 6.000 6.032 5.996 6.172 0.172 20 0 "[ . 1 . 2]" 1
31 1 7 ALA HA 1 9 ARG HB3 6.500 . 6.500 4.955 4.879 5.064 . 0 0 "[ . 1 . 2]" 1
32 1 7 ALA HA 1 9 ARG HB2 6.500 . 6.500 6.417 6.342 6.506 0.006 20 0 "[ . 1 . 2]" 1
33 1 7 ALA HA 1 10 GLN HB2 4.500 . 4.500 3.856 3.614 4.161 . 0 0 "[ . 1 . 2]" 1
34 1 7 ALA HA 1 10 GLN HG3 5.500 . 5.500 5.538 5.064 5.605 0.105 20 0 "[ . 1 . 2]" 1
35 1 7 ALA HA 1 10 GLN HG2 4.500 . 4.500 4.542 4.501 4.582 0.082 5 0 "[ . 1 . 2]" 1
36 1 7 ALA MB 1 8 LYS HD3 . . 3.500 3.393 2.976 3.525 0.025 3 0 "[ . 1 . 2]" 1
37 1 7 ALA MB 1 11 LEU HB3 4.500 . 4.500 4.568 4.467 4.628 0.128 20 0 "[ . 1 . 2]" 1
38 1 4 ASP HB2 1 7 ALA MB 3.500 . 3.500 2.951 2.729 3.268 . 0 0 "[ . 1 . 2]" 1
39 1 7 ALA MB 1 63 ARG HB2 5.500 . 5.500 5.593 5.553 5.654 0.154 14 0 "[ . 1 . 2]" 1
40 1 5 MET HA 1 7 ALA H 5.500 . 5.500 4.978 4.875 5.024 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASN HB3 1 7 ALA H 4.500 . 4.500 4.176 4.132 4.192 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASN HB2 1 7 ALA H 4.500 . 4.500 4.596 4.511 4.617 0.117 2 0 "[ . 1 . 2]" 1
43 1 7 ALA H 1 7 ALA MB 3.500 . 3.500 2.228 2.148 2.318 . 0 0 "[ . 1 . 2]" 1
44 1 7 ALA H 1 8 LYS HB3 6.500 . 6.500 5.267 4.826 6.003 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA H 1 8 LYS HB2 6.500 . 6.500 5.789 4.557 6.155 . 0 0 "[ . 1 . 2]" 1
46 1 7 ALA H 1 8 LYS H 3.500 . 3.500 2.586 2.537 2.804 . 0 0 "[ . 1 . 2]" 1
47 1 7 ALA H 1 10 GLN HB2 6.500 . 6.500 5.412 5.240 5.667 . 0 0 "[ . 1 . 2]" 1
48 1 7 ALA H 1 10 GLN H 5.500 . 5.500 4.267 4.139 4.341 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA H 1 62 ILE HA 6.000 . 6.000 3.842 3.655 4.225 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA H 1 62 ILE HB 6.000 . 6.000 5.591 5.418 5.725 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA H 1 62 ILE HG13 5.500 . 5.500 4.995 4.759 5.318 . 0 0 "[ . 1 . 2]" 1
52 1 7 ALA H 1 62 ILE HG12 4.500 . 4.500 3.776 3.482 3.979 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA H 1 66 GLU HB2 6.000 . 6.000 4.970 4.804 5.388 . 0 0 "[ . 1 . 2]" 1
54 1 8 LYS HA 1 8 LYS HD2 4.500 . 4.500 4.054 3.339 4.527 0.027 17 0 "[ . 1 . 2]" 1
55 1 6 ASN HA 1 8 LYS H 4.500 . 4.500 4.077 3.992 4.344 . 0 0 "[ . 1 . 2]" 1
56 1 6 ASN HB3 1 8 LYS H 6.000 . 6.000 5.423 5.379 5.560 . 0 0 "[ . 1 . 2]" 1
57 1 6 ASN HB2 1 8 LYS H 6.500 . 6.500 6.463 6.407 6.610 0.110 20 0 "[ . 1 . 2]" 1
58 1 7 ALA HA 1 8 LYS H 3.500 . 3.500 3.558 3.548 3.567 0.067 4 0 "[ . 1 . 2]" 1
59 1 7 ALA MB 1 8 LYS H 3.500 . 3.500 2.255 2.153 2.397 . 0 0 "[ . 1 . 2]" 1
60 1 8 LYS H 1 8 LYS HB3 3.500 . 3.500 2.779 2.386 3.578 0.078 6 0 "[ . 1 . 2]" 1
61 1 8 LYS H 1 8 LYS HD3 4.500 . 4.500 2.059 1.852 2.733 . 0 0 "[ . 1 . 2]" 1
62 1 8 LYS H 1 8 LYS HD2 4.500 . 4.500 2.476 1.930 2.945 . 0 0 "[ . 1 . 2]" 1
63 1 8 LYS H 1 9 ARG HA 5.500 . 5.500 5.200 5.132 5.301 . 0 0 "[ . 1 . 2]" 1
64 1 8 LYS H 1 9 ARG HB3 5.500 . 5.500 4.622 4.517 4.748 . 0 0 "[ . 1 . 2]" 1
65 1 8 LYS H 1 9 ARG HB2 6.500 . 6.500 5.220 5.130 5.365 . 0 0 "[ . 1 . 2]" 1
66 1 8 LYS H 1 10 GLN HB2 6.500 . 6.500 6.348 6.153 6.536 0.036 20 0 "[ . 1 . 2]" 1
67 1 8 LYS H 1 11 LEU HB3 5.500 . 5.500 4.870 4.716 5.046 . 0 0 "[ . 1 . 2]" 1
68 1 8 LYS H 1 62 ILE HA 4.500 . 4.500 3.231 3.073 3.493 . 0 0 "[ . 1 . 2]" 1
69 1 8 LYS H 1 62 ILE HG12 5.500 . 5.500 4.401 4.071 4.671 . 0 0 "[ . 1 . 2]" 1
70 1 9 ARG HA 1 9 ARG HG3 4.500 . 4.500 2.839 2.790 2.910 . 0 0 "[ . 1 . 2]" 1
71 1 9 ARG HA 1 9 ARG HG2 4.500 . 4.500 3.896 3.865 3.925 . 0 0 "[ . 1 . 2]" 1
72 1 9 ARG HB3 1 10 GLN HB3 6.500 . 6.500 4.805 4.635 4.945 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG HB2 1 10 GLN HB3 6.500 . 6.500 6.334 6.191 6.451 . 0 0 "[ . 1 . 2]" 1
74 1 9 ARG HA 1 9 ARG HD3 4.500 . 4.500 3.985 3.679 4.240 . 0 0 "[ . 1 . 2]" 1
75 1 9 ARG HB3 1 9 ARG HD3 3.500 . 3.500 3.365 3.269 3.514 0.014 20 0 "[ . 1 . 2]" 1
76 1 9 ARG HA 1 9 ARG HD2 4.500 . 4.500 2.936 2.792 3.127 . 0 0 "[ . 1 . 2]" 1
77 1 9 ARG HG3 1 13 SER HB3 5.500 . 5.500 4.057 3.870 4.191 . 0 0 "[ . 1 . 2]" 1
78 1 9 ARG HG3 1 13 SER HB2 5.500 . 5.500 3.950 3.686 4.087 . 0 0 "[ . 1 . 2]" 1
79 1 9 ARG HG2 1 13 SER HB3 5.500 . 5.500 5.521 5.404 5.572 0.072 5 0 "[ . 1 . 2]" 1
80 1 9 ARG HG2 1 13 SER HB2 5.500 . 5.500 5.525 5.327 5.594 0.094 9 0 "[ . 1 . 2]" 1
81 1 6 ASN HB3 1 9 ARG H 5.500 . 5.500 3.664 3.540 3.892 . 0 0 "[ . 1 . 2]" 1
82 1 6 ASN HB2 1 9 ARG H 6.000 . 6.000 5.143 5.044 5.314 . 0 0 "[ . 1 . 2]" 1
83 1 7 ALA MB 1 9 ARG H 5.500 . 5.500 3.989 3.895 4.111 . 0 0 "[ . 1 . 2]" 1
84 1 8 LYS HA 1 9 ARG H 4.500 . 4.500 3.382 3.360 3.428 . 0 0 "[ . 1 . 2]" 1
85 1 8 LYS HD2 1 9 ARG H 4.500 . 4.500 4.299 3.645 4.532 0.032 17 0 "[ . 1 . 2]" 1
86 1 8 LYS H 1 9 ARG H 3.500 . 3.500 2.525 2.451 2.655 . 0 0 "[ . 1 . 2]" 1
87 1 9 ARG H 1 9 ARG HB3 3.500 . 3.500 2.366 2.314 2.448 . 0 0 "[ . 1 . 2]" 1
88 1 9 ARG H 1 9 ARG HD3 5.500 . 5.500 5.244 4.998 5.478 . 0 0 "[ . 1 . 2]" 1
89 1 9 ARG H 1 9 ARG HG3 4.500 . 4.500 4.337 4.291 4.398 . 0 0 "[ . 1 . 2]" 1
90 1 9 ARG H 1 10 GLN H 6.000 . 6.000 2.599 2.504 2.875 . 0 0 "[ . 1 . 2]" 1
91 1 9 ARG H 1 11 LEU H 4.500 . 4.500 3.747 3.497 4.360 . 0 0 "[ . 1 . 2]" 1
92 1 9 ARG HG3 1 10 GLN HB2 4.500 . 4.500 4.514 4.401 4.550 0.050 6 0 "[ . 1 . 2]" 1
93 1 9 ARG HG2 1 10 GLN HB2 4.500 . 4.500 4.430 4.372 4.523 0.023 9 0 "[ . 1 . 2]" 1
94 1 10 GLN HB2 1 69 LEU MD1 3.500 . 3.500 3.070 2.900 3.307 . 0 0 "[ . 1 . 2]" 1
95 1 10 GLN HA 1 10 GLN HG3 4.500 . 4.500 2.491 2.378 3.084 . 0 0 "[ . 1 . 2]" 1
96 1 10 GLN HG3 1 69 LEU MD1 3.500 . 3.500 2.558 1.903 3.091 . 0 0 "[ . 1 . 2]" 1
97 1 10 GLN HA 1 10 GLN HG2 4.500 . 4.500 3.655 3.519 3.843 . 0 0 "[ . 1 . 2]" 1
98 1 6 ASN HA 1 10 GLN H 4.500 . 4.500 4.151 3.847 4.282 . 0 0 "[ . 1 . 2]" 1
99 1 6 ASN HB3 1 10 GLN H 6.000 . 6.000 2.616 2.271 2.791 . 0 0 "[ . 1 . 2]" 1
100 1 7 ALA HA 1 10 GLN H 3.500 . 3.500 3.426 3.334 3.556 0.056 9 0 "[ . 1 . 2]" 1
101 1 7 ALA MB 1 10 GLN H . . 4.500 4.601 4.564 4.623 0.123 1 0 "[ . 1 . 2]" 1
102 1 8 LYS H 1 10 GLN H 4.500 . 4.500 4.464 4.338 4.584 0.084 20 0 "[ . 1 . 2]" 1
103 1 9 ARG HB3 1 10 GLN H 4.500 . 4.500 2.361 2.302 2.405 . 0 0 "[ . 1 . 2]" 1
104 1 9 ARG HB2 1 10 GLN H 4.500 . 4.500 3.795 3.755 3.827 . 0 0 "[ . 1 . 2]" 1
105 1 9 ARG HD3 1 10 GLN H 6.000 . 6.000 5.323 5.238 5.385 . 0 0 "[ . 1 . 2]" 1
106 1 9 ARG HD2 1 10 GLN H 6.000 . 6.000 5.164 5.063 5.218 . 0 0 "[ . 1 . 2]" 1
107 1 9 ARG HG3 1 10 GLN H 3.500 . 3.500 3.254 3.157 3.315 . 0 0 "[ . 1 . 2]" 1
108 1 9 ARG HG2 1 10 GLN H 3.500 . 3.500 3.482 3.410 3.547 0.047 19 0 "[ . 1 . 2]" 1
109 1 10 GLN H 1 10 GLN HB3 3.500 . 3.500 2.543 2.385 2.630 . 0 0 "[ . 1 . 2]" 1
110 1 10 GLN H 1 10 GLN HB2 3.500 . 3.500 2.466 2.364 2.641 . 0 0 "[ . 1 . 2]" 1
111 1 10 GLN H 1 10 GLN HG3 4.500 . 4.500 4.383 4.345 4.403 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLN H 1 11 LEU MD1 6.500 . 6.500 6.192 5.920 6.496 . 0 0 "[ . 1 . 2]" 1
113 1 10 GLN H 1 14 LEU MD1 5.500 . 5.500 4.917 4.732 5.123 . 0 0 "[ . 1 . 2]" 1
114 1 10 GLN H 1 69 LEU MD1 4.500 . 4.500 3.645 3.409 4.150 . 0 0 "[ . 1 . 2]" 1
115 1 11 LEU HB3 1 11 LEU MD2 3.500 . 3.500 3.151 3.118 3.178 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU HB3 1 15 ILE QG 6.500 . 6.500 6.219 6.143 6.285 . 0 0 "[ . 1 . 2]" 1
117 1 7 ALA HA 1 11 LEU HB2 5.500 . 5.500 4.099 3.829 4.273 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU HB2 1 15 ILE QG 6.500 . 6.500 5.946 5.796 6.214 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU MD1 1 15 ILE HB . . 3.500 2.402 2.033 2.810 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU MD1 1 49 LEU MD1 . . 3.500 3.041 2.555 3.624 0.124 12 0 "[ . 1 . 2]" 1
121 1 10 GLN HA 1 11 LEU MD2 6.500 . 6.500 5.934 5.769 6.062 . 0 0 "[ . 1 . 2]" 1
122 1 10 GLN HG2 1 11 LEU MD2 6.500 . 6.500 5.086 4.554 5.601 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU MD2 1 14 LEU QB . . 3.500 2.562 2.449 2.725 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU MD2 1 15 ILE MD . . 3.500 1.972 1.788 2.128 0.012 20 0 "[ . 1 . 2]" 1
125 1 11 LEU MD2 1 68 ALA MB . . 3.500 2.758 2.101 3.099 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU HA 1 11 LEU MD2 3.500 . 3.500 1.820 1.776 1.885 0.024 5 0 "[ . 1 . 2]" 1
127 1 6 ASN HB3 1 11 LEU H 6.000 . 6.000 5.304 4.975 5.480 . 0 0 "[ . 1 . 2]" 1
128 1 8 LYS HA 1 11 LEU H 4.500 . 4.500 3.844 3.549 4.015 . 0 0 "[ . 1 . 2]" 1
129 1 8 LYS HB3 1 11 LEU H 6.500 . 6.500 5.983 5.719 6.154 . 0 0 "[ . 1 . 2]" 1
130 1 8 LYS HB2 1 11 LEU H 6.500 . 6.500 5.841 5.468 6.031 . 0 0 "[ . 1 . 2]" 1
131 1 9 ARG HG3 1 11 LEU H 6.500 . 6.500 5.127 4.941 5.458 . 0 0 "[ . 1 . 2]" 1
132 1 10 GLN HB3 1 11 LEU H 4.500 . 4.500 2.546 2.191 2.800 . 0 0 "[ . 1 . 2]" 1
133 1 10 GLN HG3 1 11 LEU H 5.500 . 5.500 4.109 3.010 4.407 . 0 0 "[ . 1 . 2]" 1
134 1 10 GLN HG2 1 11 LEU H 4.500 . 4.500 4.047 3.841 4.201 . 0 0 "[ . 1 . 2]" 1
135 1 10 GLN H 1 11 LEU H 3.500 . 3.500 2.721 2.681 2.825 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU H 1 11 LEU HB2 3.500 . 3.500 2.425 2.306 2.560 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU H 1 11 LEU MD1 4.500 . 4.500 4.140 3.953 4.323 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU H 1 11 LEU MD2 4.500 . 4.500 3.914 3.804 4.009 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU H 1 11 LEU HG 4.500 . 4.500 4.554 4.477 4.595 0.095 5 0 "[ . 1 . 2]" 1
140 1 11 LEU H 1 12 TYR HA 5.500 . 5.500 5.372 5.280 5.560 0.060 9 0 "[ . 1 . 2]" 1
141 1 11 LEU H 1 12 TYR H 3.500 . 3.500 2.839 2.715 3.066 . 0 0 "[ . 1 . 2]" 1
142 1 11 LEU H 1 14 LEU QB 6.000 . 6.000 4.345 4.195 4.400 . 0 0 "[ . 1 . 2]" 1
143 1 11 LEU H 1 65 ALA MB 5.500 . 5.500 3.848 3.682 4.116 . 0 0 "[ . 1 . 2]" 1
144 1 9 ARG HA 1 12 TYR HA 5.500 . 5.500 5.556 5.191 5.649 0.149 9 0 "[ . 1 . 2]" 1
145 1 12 TYR HA 1 12 TYR HE1 4.500 . 4.500 4.230 4.145 4.276 . 0 0 "[ . 1 . 2]" 1
146 1 9 ARG HA 1 12 TYR HB3 3.500 . 3.500 3.153 3.011 3.617 0.117 13 0 "[ . 1 . 2]" 1
147 1 12 TYR HB3 1 12 TYR QD 3.500 . 3.500 2.359 2.322 2.529 . 0 0 "[ . 1 . 2]" 1
148 1 12 TYR HB3 1 12 TYR HE1 5.500 . 5.500 5.442 5.342 5.468 . 0 0 "[ . 1 . 2]" 1
149 1 9 ARG HA 1 12 TYR HB2 4.500 . 4.500 3.355 2.247 3.609 . 0 0 "[ . 1 . 2]" 1
150 1 12 TYR HB2 1 12 TYR HE1 5.500 . 5.500 5.043 4.982 5.200 . 0 0 "[ . 1 . 2]" 1
151 1 8 LYS HA 1 12 TYR H 4.500 . 4.500 3.405 3.225 3.561 . 0 0 "[ . 1 . 2]" 1
152 1 9 ARG HD2 1 12 TYR H 6.500 . 6.500 6.505 6.453 6.555 0.055 5 0 "[ . 1 . 2]" 1
153 1 10 GLN HA 1 12 TYR H 5.500 . 5.500 5.013 4.724 5.243 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLN HB3 1 12 TYR H 6.000 . 6.000 5.309 5.040 5.543 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLN HG3 1 12 TYR H 6.500 . 6.500 6.204 5.339 6.521 0.021 20 0 "[ . 1 . 2]" 1
156 1 10 GLN HG2 1 12 TYR H 6.500 . 6.500 6.595 6.491 6.667 0.167 10 0 "[ . 1 . 2]" 1
157 1 11 LEU HB3 1 12 TYR H 3.500 . 3.500 2.107 2.048 2.152 . 0 0 "[ . 1 . 2]" 1
158 1 11 LEU HB2 1 12 TYR H 4.500 . 4.500 3.546 3.419 3.642 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU MD1 1 12 TYR H 4.500 . 4.500 2.627 2.194 3.037 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU MD2 1 12 TYR H 4.500 . 4.500 4.034 3.797 4.219 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU HG 1 12 TYR H 5.500 . 5.500 4.490 4.297 4.653 . 0 0 "[ . 1 . 2]" 1
162 1 12 TYR H 1 12 TYR HB3 3.500 . 3.500 2.983 2.867 3.541 0.041 13 0 "[ . 1 . 2]" 1
163 1 12 TYR H 1 12 TYR HB2 3.500 . 3.500 2.250 2.172 2.285 . 0 0 "[ . 1 . 2]" 1
164 1 12 TYR H 1 13 SER HA 6.000 . 6.000 5.388 5.348 5.419 . 0 0 "[ . 1 . 2]" 1
165 1 12 TYR H 1 13 SER H 6.000 . 6.000 2.754 2.705 2.813 . 0 0 "[ . 1 . 2]" 1
166 1 12 TYR H 1 14 LEU MD1 5.500 . 5.500 5.143 5.005 5.244 . 0 0 "[ . 1 . 2]" 1
167 1 12 TYR H 1 22 LEU MD1 5.500 . 5.500 5.026 4.496 5.495 . 0 0 "[ . 1 . 2]" 1
168 1 12 TYR H 1 22 LEU MD2 6.000 . 6.000 3.829 3.162 4.785 . 0 0 "[ . 1 . 2]" 1
169 1 12 TYR H 1 69 LEU MD1 6.500 . 6.500 4.455 4.133 5.310 . 0 0 "[ . 1 . 2]" 1
170 1 9 ARG HG3 1 13 SER H 6.500 . 6.500 4.486 4.353 4.586 . 0 0 "[ . 1 . 2]" 1
171 1 9 ARG HG2 1 13 SER H 6.500 . 6.500 6.123 5.962 6.217 . 0 0 "[ . 1 . 2]" 1
172 1 10 GLN HB2 1 13 SER H 6.000 . 6.000 5.798 5.413 5.972 . 0 0 "[ . 1 . 2]" 1
173 1 11 LEU MD1 1 13 SER H . . 5.500 4.369 4.178 4.706 . 0 0 "[ . 1 . 2]" 1
174 1 12 TYR HA 1 13 SER H 3.500 . 3.500 3.446 3.422 3.478 . 0 0 "[ . 1 . 2]" 1
175 1 12 TYR HB3 1 13 SER H 3.500 . 3.500 2.782 2.674 3.423 . 0 0 "[ . 1 . 2]" 1
176 1 12 TYR HB2 1 13 SER H 3.500 . 3.500 3.613 2.921 3.686 0.186 5 0 "[ . 1 . 2]" 1
177 1 12 TYR QD 1 13 SER H 6.000 . 6.000 4.480 4.406 4.549 . 0 0 "[ . 1 . 2]" 1
178 1 12 TYR QE 1 13 SER H 6.500 . 6.500 6.404 6.288 6.586 0.086 13 0 "[ . 1 . 2]" 1
179 1 13 SER H 1 13 SER HB3 3.500 . 3.500 2.269 2.196 2.369 . 0 0 "[ . 1 . 2]" 1
180 1 13 SER H 1 14 LEU QB . . 6.000 4.148 4.044 4.208 . 0 0 "[ . 1 . 2]" 1
181 1 13 SER H 1 14 LEU MD1 5.500 . 5.500 4.257 3.636 4.813 . 0 0 "[ . 1 . 2]" 1
182 1 13 SER H 1 15 ILE H 5.500 . 5.500 4.329 4.132 4.481 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU HA 1 14 LEU MD1 4.500 . 4.500 3.225 2.248 3.832 . 0 0 "[ . 1 . 2]" 1
184 1 14 LEU HA 1 14 LEU HG 3.500 . 3.500 2.428 2.156 2.643 . 0 0 "[ . 1 . 2]" 1
185 1 10 GLN HA 1 14 LEU QB 5.500 . 5.500 4.900 4.615 5.064 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU MD1 1 14 LEU QB 5.500 . 5.500 4.165 4.010 4.381 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU QB 1 15 ILE QG 4.500 . 4.500 2.555 2.412 2.754 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU QB 1 75 LEU MD1 . . 3.500 2.142 1.691 2.619 0.109 10 0 "[ . 1 . 2]" 1
189 1 10 GLN HG2 1 14 LEU MD1 4.500 . 4.500 2.312 1.771 3.323 0.029 20 0 "[ . 1 . 2]" 1
190 1 11 LEU HA 1 14 LEU MD1 4.500 . 4.500 2.719 2.327 3.553 . 0 0 "[ . 1 . 2]" 1
191 1 13 SER HB3 1 14 LEU MD1 4.500 . 4.500 3.588 2.685 4.512 0.012 20 0 "[ . 1 . 2]" 1
192 1 10 GLN HG3 1 14 LEU MD1 3.500 . 3.500 1.872 1.775 2.207 0.025 3 0 "[ . 1 . 2]" 1
193 1 11 LEU MD2 1 14 LEU H 6.500 . 6.500 3.958 3.760 4.193 . 0 0 "[ . 1 . 2]" 1
194 1 12 TYR HA 1 14 LEU H 5.500 . 5.500 4.675 4.515 4.800 . 0 0 "[ . 1 . 2]" 1
195 1 12 TYR H 1 14 LEU H 6.000 . 6.000 4.271 4.192 4.336 . 0 0 "[ . 1 . 2]" 1
196 1 13 SER HB3 1 14 LEU H 3.500 . 3.500 2.530 2.400 2.626 . 0 0 "[ . 1 . 2]" 1
197 1 13 SER HB2 1 14 LEU H 4.500 . 4.500 3.892 3.810 3.952 . 0 0 "[ . 1 . 2]" 1
198 1 13 SER H 1 14 LEU H 3.500 . 3.500 2.461 2.403 2.511 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU H 1 14 LEU QB 3.500 . 3.500 2.158 2.109 2.253 . 0 0 "[ . 1 . 2]" 1
200 1 14 LEU H 1 14 LEU MD1 4.500 . 4.500 2.718 2.021 3.312 . 0 0 "[ . 1 . 2]" 1
201 1 14 LEU H 1 14 LEU HG 4.500 . 4.500 3.311 2.568 4.005 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU H 1 15 ILE HA 6.000 . 6.000 5.387 5.353 5.405 . 0 0 "[ . 1 . 2]" 1
203 1 14 LEU H 1 15 ILE QG 6.500 . 6.500 4.992 4.931 5.092 . 0 0 "[ . 1 . 2]" 1
204 1 14 LEU H 1 15 ILE H 3.500 . 3.500 2.944 2.896 2.999 . 0 0 "[ . 1 . 2]" 1
205 1 14 LEU H 1 16 GLY HA3 6.500 . 6.500 5.367 5.254 5.540 . 0 0 "[ . 1 . 2]" 1
206 1 15 ILE HA 1 15 ILE QG 3.500 . 3.500 2.363 2.314 2.418 . 0 0 "[ . 1 . 2]" 1
207 1 15 ILE HB 1 15 ILE MD 3.500 . 3.500 2.388 2.306 2.445 . 0 0 "[ . 1 . 2]" 1
208 1 11 LEU HG 1 15 ILE MD 4.500 . 4.500 4.019 3.829 4.257 . 0 0 "[ . 1 . 2]" 1
209 1 15 ILE HA 1 15 ILE MD 4.500 . 4.500 3.823 3.789 3.862 . 0 0 "[ . 1 . 2]" 1
210 1 15 ILE MD 1 75 LEU HA 5.500 . 5.500 2.313 1.931 2.623 . 0 0 "[ . 1 . 2]" 1
211 1 15 ILE MD 1 78 TYR QD 3.500 . 3.500 1.835 1.782 1.906 0.018 16 0 "[ . 1 . 2]" 1
212 1 15 ILE QG 1 78 TYR HD2 4.500 . 4.500 2.225 2.094 2.291 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE QG 1 78 TYR QD 3.500 . 3.500 2.223 2.093 2.289 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE QG 1 78 TYR HE2 5.500 . 5.500 4.282 3.999 4.382 . 0 0 "[ . 1 . 2]" 1
215 1 12 TYR HD1 1 15 ILE MG 5.500 . 5.500 5.192 5.070 5.247 . 0 0 "[ . 1 . 2]" 1
216 1 15 ILE MD 1 15 ILE MG 3.500 . 3.500 1.886 1.742 2.009 0.058 8 0 "[ . 1 . 2]" 1
217 1 15 ILE MG 1 16 GLY HA2 . . 3.500 3.336 3.044 3.678 0.178 14 0 "[ . 1 . 2]" 1
218 1 15 ILE MG 1 17 TYR HD2 4.500 . 4.500 3.416 3.206 3.552 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE MG 1 22 LEU HA 5.500 . 5.500 5.311 5.112 5.593 0.093 20 0 "[ . 1 . 2]" 1
220 1 15 ILE MG 1 78 TYR HA 5.500 . 5.500 4.125 4.048 4.325 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE MG 1 78 TYR HB3 3.500 . 3.500 2.026 1.873 2.325 . 0 0 "[ . 1 . 2]" 1
222 1 15 ILE HA 1 15 ILE MG 3.500 . 3.500 2.476 2.430 2.504 . 0 0 "[ . 1 . 2]" 1
223 1 15 ILE MG 1 17 TYR QD 3.500 . 3.500 3.403 3.193 3.541 0.041 6 0 "[ . 1 . 2]" 1
224 1 15 ILE MG 1 43 VAL MG1 3.500 . 3.500 3.069 2.869 3.260 . 0 0 "[ . 1 . 2]" 1
225 1 15 ILE MG 1 49 LEU MD1 3.500 . 3.500 3.487 3.022 3.604 0.104 19 0 "[ . 1 . 2]" 1
226 1 15 ILE MG 1 78 TYR QE 5.500 . 5.500 2.955 2.618 3.176 . 0 0 "[ . 1 . 2]" 1
227 1 11 LEU HA 1 15 ILE H 5.500 . 5.500 3.089 2.858 3.281 . 0 0 "[ . 1 . 2]" 1
228 1 11 LEU HG 1 15 ILE H 6.000 . 6.000 5.112 4.823 5.494 . 0 0 "[ . 1 . 2]" 1
229 1 12 TYR HA 1 15 ILE H 4.500 . 4.500 4.132 4.024 4.267 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU HA 1 15 ILE H 4.500 . 4.500 3.586 3.571 3.617 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU QB 1 15 ILE H . . 3.500 2.257 2.138 2.386 . 0 0 "[ . 1 . 2]" 1
232 1 15 ILE H 1 15 ILE MD 4.500 . 4.500 3.761 3.669 3.877 . 0 0 "[ . 1 . 2]" 1
233 1 15 ILE H 1 15 ILE MG 4.500 . 4.500 3.717 3.686 3.749 . 0 0 "[ . 1 . 2]" 1
234 1 15 ILE H 1 16 GLY HA2 6.000 . 6.000 4.806 4.721 4.875 . 0 0 "[ . 1 . 2]" 1
235 1 16 GLY HA3 1 22 LEU MD1 4.500 . 4.500 3.414 2.668 3.952 . 0 0 "[ . 1 . 2]" 1
236 1 12 TYR HA 1 16 GLY H 3.500 . 3.500 2.577 2.342 3.146 . 0 0 "[ . 1 . 2]" 1
237 1 12 TYR HB3 1 16 GLY H 5.500 . 5.500 5.131 4.857 5.262 . 0 0 "[ . 1 . 2]" 1
238 1 12 TYR HB2 1 16 GLY H 5.500 . 5.500 5.087 4.888 5.591 0.091 6 0 "[ . 1 . 2]" 1
239 1 12 TYR QE 1 16 GLY H 6.000 . 6.000 5.472 5.281 5.684 . 0 0 "[ . 1 . 2]" 1
240 1 13 SER HA 1 16 GLY H 6.000 . 6.000 4.898 4.157 5.140 . 0 0 "[ . 1 . 2]" 1
241 1 14 LEU HA 1 16 GLY H 6.000 . 6.000 5.187 4.304 5.571 . 0 0 "[ . 1 . 2]" 1
242 1 14 LEU QB 1 16 GLY H 5.500 . 5.500 4.172 4.059 4.250 . 0 0 "[ . 1 . 2]" 1
243 1 14 LEU H 1 16 GLY H 5.500 . 5.500 4.130 3.779 4.456 . 0 0 "[ . 1 . 2]" 1
244 1 15 ILE HA 1 16 GLY H 4.500 . 4.500 3.458 3.029 3.573 . 0 0 "[ . 1 . 2]" 1
245 1 15 ILE HB 1 16 GLY H 6.000 . 6.000 2.772 2.239 4.088 . 0 0 "[ . 1 . 2]" 1
246 1 15 ILE MD 1 16 GLY H 5.500 . 5.500 4.659 4.167 5.585 0.085 6 0 "[ . 1 . 2]" 1
247 1 15 ILE QG 1 16 GLY H 5.500 . 5.500 4.144 3.952 4.520 . 0 0 "[ . 1 . 2]" 1
248 1 15 ILE MG 1 16 GLY H 4.500 . 4.500 3.291 2.961 4.114 . 0 0 "[ . 1 . 2]" 1
249 1 15 ILE H 1 16 GLY H 3.500 . 3.500 2.361 2.185 2.846 . 0 0 "[ . 1 . 2]" 1
250 1 16 GLY H 1 17 TYR H 5.500 . 5.500 4.418 4.116 4.578 . 0 0 "[ . 1 . 2]" 1
251 1 17 TYR HB3 1 17 TYR QD 3.500 . 3.500 2.608 2.290 2.742 . 0 0 "[ . 1 . 2]" 1
252 1 17 TYR HB2 1 17 TYR QD 3.500 . 3.500 2.307 2.263 2.556 . 0 0 "[ . 1 . 2]" 1
253 1 12 TYR QD 1 17 TYR H 5.500 . 5.500 3.981 3.487 5.079 . 0 0 "[ . 1 . 2]" 1
254 1 16 GLY HA3 1 17 TYR H 3.500 . 3.500 3.215 2.971 3.431 . 0 0 "[ . 1 . 2]" 1
255 1 16 GLY HA2 1 17 TYR H 3.500 . 3.500 2.135 2.098 2.191 . 0 0 "[ . 1 . 2]" 1
256 1 17 TYR H 1 17 TYR QD 5.500 . 5.500 3.829 2.946 4.245 . 0 0 "[ . 1 . 2]" 1
257 1 17 TYR H 1 20 LEU HB3 5.500 . 5.500 2.975 1.881 4.202 . 0 0 "[ . 1 . 2]" 1
258 1 17 TYR H 1 20 LEU HB2 4.500 . 4.500 3.485 2.200 4.519 0.019 8 0 "[ . 1 . 2]" 1
259 1 17 TYR H 1 20 LEU MD2 5.500 . 5.500 4.403 1.928 5.472 . 0 0 "[ . 1 . 2]" 1
260 1 17 TYR H 1 20 LEU H 4.500 . 4.500 3.848 3.482 4.179 . 0 0 "[ . 1 . 2]" 1
261 1 17 TYR H 1 22 LEU MD1 4.500 . 4.500 3.415 1.863 4.515 0.015 20 0 "[ . 1 . 2]" 1
262 1 20 LEU HA 1 20 LEU MD1 4.500 . 4.500 3.528 2.721 3.829 . 0 0 "[ . 1 . 2]" 1
263 1 20 LEU HB3 1 20 LEU MD2 3.500 . 3.500 2.559 1.982 3.156 . 0 0 "[ . 1 . 2]" 1
264 1 20 LEU HB2 1 20 LEU MD2 3.500 . 3.500 3.064 2.552 3.163 . 0 0 "[ . 1 . 2]" 1
265 1 15 ILE HA 1 20 LEU MD1 . . 3.500 3.593 3.403 3.705 0.205 13 0 "[ . 1 . 2]" 1
266 1 16 GLY HA2 1 20 LEU MD1 4.500 . 4.500 3.844 3.347 4.128 . 0 0 "[ . 1 . 2]" 1
267 1 17 TYR HD2 1 20 LEU MD1 4.500 . 4.500 2.771 2.136 3.303 . 0 0 "[ . 1 . 2]" 1
268 1 20 LEU MD1 1 78 TYR HE2 4.500 . 4.500 3.825 3.233 4.328 . 0 0 "[ . 1 . 2]" 1
269 1 17 TYR QD 1 20 LEU MD1 3.500 . 3.500 2.767 2.135 3.293 . 0 0 "[ . 1 . 2]" 1
270 1 20 LEU HB3 1 20 LEU MD1 3.500 . 3.500 2.233 1.923 2.887 . 0 0 "[ . 1 . 2]" 1
271 1 20 LEU HB2 1 20 LEU MD1 3.500 . 3.500 2.570 2.094 3.123 . 0 0 "[ . 1 . 2]" 1
272 1 20 LEU MD1 1 78 TYR HA 3.500 . 3.500 3.441 3.108 3.645 0.145 15 0 "[ . 1 . 2]" 1
273 1 20 LEU MD1 1 78 TYR QE 3.500 . 3.500 3.252 2.800 3.510 0.010 4 0 "[ . 1 . 2]" 1
274 1 17 TYR HB2 1 20 LEU H 6.000 . 6.000 2.740 2.270 4.719 . 0 0 "[ . 1 . 2]" 1
275 1 17 TYR QD 1 20 LEU H 4.500 . 4.500 4.283 2.554 4.523 0.023 4 0 "[ . 1 . 2]" 1
276 1 20 LEU H 1 20 LEU HB3 3.500 . 3.500 2.958 2.279 3.535 0.035 2 0 "[ . 1 . 2]" 1
277 1 20 LEU H 1 20 LEU MD1 4.500 . 4.500 4.343 4.142 4.509 0.009 14 0 "[ . 1 . 2]" 1
278 1 20 LEU H 1 20 LEU MD2 5.500 . 5.500 3.775 2.835 4.220 . 0 0 "[ . 1 . 2]" 1
279 1 20 LEU H 1 21 ARG H 3.500 . 3.500 2.622 1.989 3.149 . 0 0 "[ . 1 . 2]" 1
280 1 21 ARG HA 1 22 LEU HB3 5.500 . 5.500 5.319 5.090 5.549 0.049 13 0 "[ . 1 . 2]" 1
281 1 21 ARG HA 1 44 GLY HA3 5.500 . 5.500 5.144 4.785 5.427 . 0 0 "[ . 1 . 2]" 1
282 1 21 ARG HB3 1 21 ARG HD3 3.500 . 3.500 3.008 2.616 3.325 . 0 0 "[ . 1 . 2]" 1
283 1 21 ARG HB3 1 21 ARG HD2 3.500 . 3.500 2.318 1.975 2.706 . 0 0 "[ . 1 . 2]" 1
284 1 21 ARG HD3 1 23 HIS HB3 4.500 . 4.500 4.183 3.462 4.511 0.011 7 0 "[ . 1 . 2]" 1
285 1 21 ARG HD2 1 23 HIS HB3 4.500 . 4.500 4.162 3.634 4.499 . 0 0 "[ . 1 . 2]" 1
286 1 20 LEU MD2 1 21 ARG H 5.500 . 5.500 3.964 2.538 4.487 . 0 0 "[ . 1 . 2]" 1
287 1 21 ARG H 1 21 ARG HB2 3.500 . 3.500 2.533 2.043 2.799 . 0 0 "[ . 1 . 2]" 1
288 1 21 ARG H 1 21 ARG HD3 6.000 . 6.000 4.911 4.314 5.570 . 0 0 "[ . 1 . 2]" 1
289 1 21 ARG H 1 22 LEU HA 5.500 . 5.500 5.451 5.360 5.538 0.038 17 0 "[ . 1 . 2]" 1
290 1 21 ARG H 1 22 LEU MD1 5.500 . 5.500 4.695 3.729 5.531 0.031 15 0 "[ . 1 . 2]" 1
291 1 21 ARG H 1 22 LEU H 4.500 . 4.500 3.513 3.051 4.130 . 0 0 "[ . 1 . 2]" 1
292 1 21 ARG H 1 43 VAL HB 6.000 . 6.000 5.586 4.797 6.010 0.010 3 0 "[ . 1 . 2]" 1
293 1 22 LEU HA 1 22 LEU MD2 4.500 . 4.500 3.911 3.290 4.126 . 0 0 "[ . 1 . 2]" 1
294 1 22 LEU HA 1 43 VAL MG1 3.500 . 3.500 1.841 1.781 1.967 0.019 17 0 "[ . 1 . 2]" 1
295 1 11 LEU HG 1 22 LEU HB3 6.500 . 6.500 6.260 5.772 6.516 0.016 19 0 "[ . 1 . 2]" 1
296 1 16 GLY HA3 1 22 LEU HB3 6.500 . 6.500 5.537 5.033 6.110 . 0 0 "[ . 1 . 2]" 1
297 1 22 LEU HB3 1 22 LEU MD2 3.500 . 3.500 2.626 2.361 3.167 . 0 0 "[ . 1 . 2]" 1
298 1 22 LEU HB3 1 43 VAL HA 4.500 . 4.500 3.682 3.559 3.867 . 0 0 "[ . 1 . 2]" 1
299 1 11 LEU HG 1 22 LEU HB2 5.500 . 5.500 5.587 5.489 5.641 0.141 13 0 "[ . 1 . 2]" 1
300 1 22 LEU HB2 1 22 LEU MD1 3.500 . 3.500 2.647 2.331 3.197 . 0 0 "[ . 1 . 2]" 1
301 1 22 LEU HB2 1 22 LEU MD2 3.500 . 3.500 2.239 2.074 2.685 . 0 0 "[ . 1 . 2]" 1
302 1 22 LEU HB2 1 42 ARG HB2 6.500 . 6.500 6.349 6.148 6.547 0.047 13 0 "[ . 1 . 2]" 1
303 1 22 LEU HB2 1 43 VAL HA 4.500 . 4.500 4.150 3.819 4.411 . 0 0 "[ . 1 . 2]" 1
304 1 22 LEU HB2 1 49 LEU HB3 6.500 . 6.500 6.148 4.848 6.580 0.080 9 0 "[ . 1 . 2]" 1
305 1 22 LEU HB2 1 49 LEU HB2 6.500 . 6.500 6.490 5.760 6.630 0.130 15 0 "[ . 1 . 2]" 1
306 1 22 LEU HB2 1 49 LEU MD2 4.500 . 4.500 3.051 2.805 3.583 . 0 0 "[ . 1 . 2]" 1
307 1 12 TYR HA 1 22 LEU MD1 . . 3.500 3.425 2.637 3.556 0.056 4 0 "[ . 1 . 2]" 1
308 1 21 ARG HA 1 22 LEU MD1 . . 3.500 3.419 3.229 3.530 0.030 1 0 "[ . 1 . 2]" 1
309 1 12 TYR QD 1 22 LEU MD1 3.500 . 3.500 2.095 1.860 2.736 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU MD1 1 24 TYR QE 5.500 . 5.500 4.298 3.371 5.573 0.073 14 0 "[ . 1 . 2]" 1
311 1 22 LEU MD1 1 43 VAL HA 5.500 . 5.500 4.749 4.556 4.889 . 0 0 "[ . 1 . 2]" 1
312 1 11 LEU MD1 1 22 LEU MD2 . . 3.500 1.984 1.667 3.410 0.133 10 0 "[ . 1 . 2]" 1
313 1 12 TYR HA 1 22 LEU MD2 . . 3.500 2.435 1.885 3.551 0.051 14 0 "[ . 1 . 2]" 1
314 1 12 TYR HE1 1 22 LEU MD2 4.500 . 4.500 3.311 2.268 3.586 . 0 0 "[ . 1 . 2]" 1
315 1 16 GLY HA2 1 22 LEU MD2 . . 3.500 2.308 1.784 3.557 0.057 16 0 "[ . 1 . 2]" 1
316 1 22 LEU MD2 1 43 VAL HA 6.500 . 6.500 5.263 4.565 5.523 . 0 0 "[ . 1 . 2]" 1
317 1 12 TYR QE 1 22 LEU MD2 3.500 . 3.500 3.293 2.265 3.556 0.056 16 0 "[ . 1 . 2]" 1
318 1 15 ILE MG 1 22 LEU MD2 5.500 . 5.500 3.281 2.304 4.780 . 0 0 "[ . 1 . 2]" 1
319 1 16 GLY HA2 1 22 LEU H 6.500 . 6.500 4.049 3.765 4.379 . 0 0 "[ . 1 . 2]" 1
320 1 20 LEU H 1 22 LEU H 5.500 . 5.500 4.920 4.475 5.466 . 0 0 "[ . 1 . 2]" 1
321 1 21 ARG HA 1 22 LEU H 3.500 . 3.500 2.580 2.256 2.866 . 0 0 "[ . 1 . 2]" 1
322 1 21 ARG HD3 1 22 LEU H 5.500 . 5.500 4.262 3.462 5.321 . 0 0 "[ . 1 . 2]" 1
323 1 21 ARG HD2 1 22 LEU H 5.500 . 5.500 5.154 4.480 5.502 0.002 3 0 "[ . 1 . 2]" 1
324 1 22 LEU H 1 22 LEU HB3 3.500 . 3.500 2.813 2.430 3.059 . 0 0 "[ . 1 . 2]" 1
325 1 22 LEU H 1 22 LEU HB2 3.500 . 3.500 3.574 3.528 3.601 0.101 19 0 "[ . 1 . 2]" 1
326 1 22 LEU H 1 22 LEU MD1 4.500 . 4.500 2.042 1.769 2.313 0.031 19 0 "[ . 1 . 2]" 1
327 1 22 LEU H 1 22 LEU MD2 5.500 . 5.500 3.476 1.844 3.744 . 0 0 "[ . 1 . 2]" 1
328 1 22 LEU H 1 23 HIS HA 6.000 . 6.000 5.455 5.233 5.579 . 0 0 "[ . 1 . 2]" 1
329 1 22 LEU H 1 23 HIS HB3 6.500 . 6.500 5.686 5.164 6.054 . 0 0 "[ . 1 . 2]" 1
330 1 22 LEU H 1 23 HIS H 6.000 . 6.000 4.641 4.606 4.670 . 0 0 "[ . 1 . 2]" 1
331 1 22 LEU H 1 43 VAL HB 6.000 . 6.000 5.145 4.830 5.479 . 0 0 "[ . 1 . 2]" 1
332 1 22 LEU H 1 44 GLY HA3 6.000 . 6.000 5.911 5.521 6.040 0.040 14 0 "[ . 1 . 2]" 1
333 1 23 HIS HA 1 24 TYR QD 4.500 . 4.500 3.640 3.096 4.087 . 0 0 "[ . 1 . 2]" 1
334 1 22 LEU HA 1 23 HIS H 3.500 . 3.500 2.320 2.245 2.406 . 0 0 "[ . 1 . 2]" 1
335 1 22 LEU HB3 1 23 HIS H 4.500 . 4.500 3.857 3.655 4.157 . 0 0 "[ . 1 . 2]" 1
336 1 22 LEU HB2 1 23 HIS H 4.500 . 4.500 2.834 2.691 3.004 . 0 0 "[ . 1 . 2]" 1
337 1 22 LEU MD1 1 23 HIS H 5.500 . 5.500 3.874 3.506 4.943 . 0 0 "[ . 1 . 2]" 1
338 1 22 LEU MD2 1 23 HIS H 5.500 . 5.500 4.218 2.834 4.695 . 0 0 "[ . 1 . 2]" 1
339 1 23 HIS H 1 41 CYS HA 5.500 . 5.500 4.014 3.882 4.147 . 0 0 "[ . 1 . 2]" 1
340 1 23 HIS H 1 43 VAL MG1 3.500 . 3.500 3.470 3.347 3.602 0.102 20 0 "[ . 1 . 2]" 1
341 1 23 HIS H 1 44 GLY H 5.500 . 5.500 5.374 5.155 5.479 . 0 0 "[ . 1 . 2]" 1
342 1 24 TYR HA 1 24 TYR QD 3.500 . 3.500 2.844 2.524 3.092 . 0 0 "[ . 1 . 2]" 1
343 1 24 TYR HA 1 41 CYS HA 3.500 . 3.500 2.430 2.305 2.527 . 0 0 "[ . 1 . 2]" 1
344 1 24 TYR HB2 1 24 TYR QD 3.500 . 3.500 2.361 2.296 2.451 . 0 0 "[ . 1 . 2]" 1
345 1 24 TYR HB2 1 39 VAL MG1 5.500 . 5.500 3.371 3.005 3.650 . 0 0 "[ . 1 . 2]" 1
346 1 23 HIS HA 1 24 TYR H 6.000 . 6.000 2.430 2.286 2.526 . 0 0 "[ . 1 . 2]" 1
347 1 23 HIS HB3 1 24 TYR H 4.500 . 4.500 3.747 3.510 4.075 . 0 0 "[ . 1 . 2]" 1
348 1 23 HIS HB2 1 24 TYR H 4.500 . 4.500 2.878 2.120 3.592 . 0 0 "[ . 1 . 2]" 1
349 1 23 HIS HD1 1 24 TYR H 5.500 . 5.500 3.310 2.845 3.582 . 0 0 "[ . 1 . 2]" 1
350 1 23 HIS H 1 24 TYR H 4.500 . 4.500 4.382 4.353 4.410 . 0 0 "[ . 1 . 2]" 1
351 1 24 TYR H 1 24 TYR HB2 3.500 . 3.500 2.713 2.616 2.841 . 0 0 "[ . 1 . 2]" 1
352 1 24 TYR H 1 24 TYR QD 3.500 . 3.500 2.698 2.392 2.959 . 0 0 "[ . 1 . 2]" 1
353 1 24 TYR H 1 25 VAL MG1 5.500 . 5.500 5.256 5.149 5.332 . 0 0 "[ . 1 . 2]" 1
354 1 23 HIS HD1 1 25 VAL MG1 . . 3.500 3.502 3.282 3.628 0.128 19 0 "[ . 1 . 2]" 1
355 1 24 TYR HB3 1 25 VAL MG1 5.500 . 5.500 4.777 4.658 4.893 . 0 0 "[ . 1 . 2]" 1
356 1 25 VAL MG1 1 39 VAL HA . . 3.500 3.540 3.495 3.599 0.099 8 0 "[ . 1 . 2]" 1
357 1 25 VAL MG1 1 40 GLU HA . . 3.500 3.562 3.485 3.622 0.122 10 0 "[ . 1 . 2]" 1
358 1 25 VAL MG1 1 40 GLU HG2 . . 3.500 3.516 3.394 3.615 0.115 19 0 "[ . 1 . 2]" 1
359 1 24 TYR HA 1 25 VAL MG1 3.500 . 3.500 3.523 3.451 3.570 0.070 8 0 "[ . 1 . 2]" 1
360 1 25 VAL HA 1 25 VAL MG1 3.500 . 3.500 3.176 3.165 3.191 . 0 0 "[ . 1 . 2]" 1
361 1 25 VAL MG1 1 27 VAL MG1 5.500 . 5.500 4.048 3.841 4.369 . 0 0 "[ . 1 . 2]" 1
362 1 25 VAL MG1 1 27 VAL MG2 5.500 . 5.500 3.503 3.334 3.668 . 0 0 "[ . 1 . 2]" 1
363 1 25 VAL MG1 1 42 ARG HA 6.500 . 6.500 4.665 4.507 4.778 . 0 0 "[ . 1 . 2]" 1
364 1 23 HIS HD1 1 25 VAL MG2 4.500 . 4.500 4.567 4.502 4.649 0.149 13 0 "[ . 1 . 2]" 1
365 1 24 TYR HA 1 25 VAL MG2 6.500 . 6.500 5.413 5.397 5.427 . 0 0 "[ . 1 . 2]" 1
366 1 25 VAL MG2 1 27 VAL HA 4.500 . 4.500 3.659 3.533 3.909 . 0 0 "[ . 1 . 2]" 1
367 1 25 VAL MG2 1 39 VAL HB 6.500 . 6.500 6.568 6.446 6.631 0.131 16 0 "[ . 1 . 2]" 1
368 1 24 TYR HA 1 25 VAL H 3.500 . 3.500 2.107 2.085 2.145 . 0 0 "[ . 1 . 2]" 1
369 1 24 TYR HB3 1 25 VAL H 4.500 . 4.500 3.472 3.316 3.609 . 0 0 "[ . 1 . 2]" 1
370 1 24 TYR HB2 1 25 VAL H 4.500 . 4.500 4.172 4.047 4.242 . 0 0 "[ . 1 . 2]" 1
371 1 24 TYR H 1 25 VAL H 4.500 . 4.500 4.286 4.187 4.381 . 0 0 "[ . 1 . 2]" 1
372 1 25 VAL H 1 25 VAL HB 3.500 . 3.500 3.099 2.996 3.183 . 0 0 "[ . 1 . 2]" 1
373 1 25 VAL H 1 25 VAL MG1 3.500 . 3.500 1.918 1.831 2.021 . 0 0 "[ . 1 . 2]" 1
374 1 25 VAL H 1 25 VAL MG2 4.500 . 4.500 3.736 3.708 3.770 . 0 0 "[ . 1 . 2]" 1
375 1 25 VAL H 1 39 VAL HA 6.000 . 6.000 4.336 4.115 4.546 . 0 0 "[ . 1 . 2]" 1
376 1 25 VAL H 1 40 GLU HA 6.000 . 6.000 4.631 4.542 4.716 . 0 0 "[ . 1 . 2]" 1
377 1 25 VAL H 1 40 GLU H 3.500 . 3.500 2.666 2.519 2.829 . 0 0 "[ . 1 . 2]" 1
378 1 25 VAL H 1 41 CYS HA 4.500 . 4.500 3.486 3.262 3.565 . 0 0 "[ . 1 . 2]" 1
379 1 24 TYR HA 1 26 THR H 6.500 . 6.500 5.982 5.801 6.103 . 0 0 "[ . 1 . 2]" 1
380 1 25 VAL HB 1 26 THR H 5.500 . 5.500 4.056 3.934 4.210 . 0 0 "[ . 1 . 2]" 1
381 1 25 VAL MG1 1 26 THR H 4.500 . 4.500 4.128 4.070 4.180 . 0 0 "[ . 1 . 2]" 1
382 1 25 VAL MG2 1 26 THR H 3.500 . 3.500 2.524 2.238 2.834 . 0 0 "[ . 1 . 2]" 1
383 1 26 THR H 1 26 THR HB 3.500 . 3.500 2.604 2.480 2.750 . 0 0 "[ . 1 . 2]" 1
384 1 26 THR H 1 26 THR MG 4.500 . 4.500 3.816 3.781 3.835 . 0 0 "[ . 1 . 2]" 1
385 1 26 THR H 1 27 VAL H 5.500 . 5.500 4.333 4.269 4.443 . 0 0 "[ . 1 . 2]" 1
386 1 26 THR H 1 39 VAL HA 6.000 . 6.000 4.737 4.470 4.966 . 0 0 "[ . 1 . 2]" 1
387 1 26 THR H 1 57 ILE MG 5.500 . 5.500 4.573 4.306 4.828 . 0 0 "[ . 1 . 2]" 1
388 1 26 THR HA 1 27 VAL HB 5.500 . 5.500 5.420 5.356 5.465 . 0 0 "[ . 1 . 2]" 1
389 1 26 THR MG 1 27 VAL HB 5.500 . 5.500 4.999 4.778 5.204 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL HB 1 28 LYS HA 4.500 . 4.500 4.377 4.206 4.532 0.032 13 0 "[ . 1 . 2]" 1
391 1 27 VAL HB 1 38 ILE HG13 5.500 . 5.500 4.625 3.502 5.223 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL MG1 1 28 LYS HA . . 5.500 5.127 5.044 5.214 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL MG1 1 38 ILE HB 4.500 . 4.500 3.978 3.780 4.043 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL MG2 1 28 LYS HA 5.500 . 5.500 4.902 4.806 5.020 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL MG2 1 28 LYS HB2 5.500 . 5.500 5.283 5.106 5.509 0.009 17 0 "[ . 1 . 2]" 1
396 1 25 VAL HA 1 27 VAL H 6.000 . 6.000 5.709 5.593 5.873 . 0 0 "[ . 1 . 2]" 1
397 1 26 THR MG 1 27 VAL H 3.500 . 3.500 2.958 2.715 3.129 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL H 1 27 VAL HB 3.500 . 3.500 3.294 3.245 3.329 . 0 0 "[ . 1 . 2]" 1
399 1 27 VAL H 1 27 VAL MG1 3.500 . 3.500 3.517 3.478 3.543 0.043 3 0 "[ . 1 . 2]" 1
400 1 27 VAL H 1 28 LYS HB3 6.000 . 6.000 4.825 4.716 5.005 . 0 0 "[ . 1 . 2]" 1
401 1 27 VAL H 1 28 LYS H 3.500 . 3.500 2.307 2.220 2.386 . 0 0 "[ . 1 . 2]" 1
402 1 27 VAL H 1 39 VAL HA 4.500 . 4.500 2.801 2.517 3.009 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL H 1 40 GLU H 4.500 . 4.500 4.407 4.217 4.534 0.034 13 0 "[ . 1 . 2]" 1
404 1 27 VAL MG1 1 28 LYS HB3 5.500 . 5.500 4.544 4.421 4.656 . 0 0 "[ . 1 . 2]" 1
405 1 27 VAL MG2 1 28 LYS HB3 4.500 . 4.500 3.898 3.722 4.152 . 0 0 "[ . 1 . 2]" 1
406 1 28 LYS HE3 1 36 ASN HB2 4.500 . 4.500 4.318 4.143 4.494 . 0 0 "[ . 1 . 2]" 1
407 1 28 LYS HE2 1 36 ASN HB2 5.500 . 5.500 2.831 2.684 3.038 . 0 0 "[ . 1 . 2]" 1
408 1 27 VAL MG2 1 28 LYS HG3 5.500 . 5.500 5.530 5.372 5.622 0.122 19 0 "[ . 1 . 2]" 1
409 1 28 LYS HA 1 28 LYS HG3 3.500 . 3.500 3.361 3.303 3.463 . 0 0 "[ . 1 . 2]" 1
410 1 28 LYS HE3 1 28 LYS HG3 3.500 . 3.500 2.634 2.506 2.841 . 0 0 "[ . 1 . 2]" 1
411 1 28 LYS HE2 1 28 LYS HG3 3.500 . 3.500 2.535 2.288 2.786 . 0 0 "[ . 1 . 2]" 1
412 1 28 LYS HG3 1 29 LYS HB2 5.500 . 5.500 5.209 5.103 5.332 . 0 0 "[ . 1 . 2]" 1
413 1 28 LYS HG3 1 29 LYS HD2 5.500 . 5.500 4.623 4.355 4.924 . 0 0 "[ . 1 . 2]" 1
414 1 28 LYS HG3 1 38 ILE MG 5.500 . 5.500 5.493 5.352 5.555 0.055 10 0 "[ . 1 . 2]" 1
415 1 27 VAL MG2 1 28 LYS HG2 4.500 . 4.500 4.452 4.279 4.532 0.032 11 0 "[ . 1 . 2]" 1
416 1 28 LYS HA 1 28 LYS HG2 4.500 . 4.500 3.953 3.892 3.981 . 0 0 "[ . 1 . 2]" 1
417 1 28 LYS HG2 1 38 ILE MG 4.500 . 4.500 4.140 4.003 4.221 . 0 0 "[ . 1 . 2]" 1
418 1 26 THR MG 1 28 LYS H 3.500 . 3.500 2.793 2.609 3.059 . 0 0 "[ . 1 . 2]" 1
419 1 27 VAL HA 1 28 LYS H 3.500 . 3.500 3.520 3.491 3.549 0.049 20 0 "[ . 1 . 2]" 1
420 1 27 VAL HB 1 28 LYS H 4.500 . 4.500 2.953 2.709 3.157 . 0 0 "[ . 1 . 2]" 1
421 1 27 VAL MG1 1 28 LYS H 5.500 . 5.500 4.160 4.043 4.252 . 0 0 "[ . 1 . 2]" 1
422 1 27 VAL MG2 1 28 LYS H 5.500 . 5.500 2.572 2.384 2.745 . 0 0 "[ . 1 . 2]" 1
423 1 28 LYS H 1 28 LYS HE3 6.500 . 6.500 5.674 5.458 5.972 . 0 0 "[ . 1 . 2]" 1
424 1 28 LYS H 1 28 LYS HE2 6.500 . 6.500 6.328 6.120 6.486 . 0 0 "[ . 1 . 2]" 1
425 1 28 LYS H 1 28 LYS HG3 4.500 . 4.500 3.925 3.777 4.014 . 0 0 "[ . 1 . 2]" 1
426 1 28 LYS H 1 29 LYS HE2 6.500 . 6.500 5.982 4.709 6.496 . 0 0 "[ . 1 . 2]" 1
427 1 28 LYS H 1 37 SER HA 4.500 . 4.500 4.067 4.000 4.194 . 0 0 "[ . 1 . 2]" 1
428 1 28 LYS H 1 37 SER HB3 6.500 . 6.500 5.744 5.261 5.928 . 0 0 "[ . 1 . 2]" 1
429 1 28 LYS H 1 37 SER HB2 6.500 . 6.500 5.898 5.131 6.064 . 0 0 "[ . 1 . 2]" 1
430 1 28 LYS H 1 38 ILE HA 6.000 . 6.000 4.331 4.213 4.511 . 0 0 "[ . 1 . 2]" 1
431 1 28 LYS H 1 39 VAL HA 5.500 . 5.500 4.602 4.364 4.765 . 0 0 "[ . 1 . 2]" 1
432 1 26 THR MG 1 29 LYS HA 4.500 . 4.500 3.653 3.536 3.977 . 0 0 "[ . 1 . 2]" 1
433 1 29 LYS HA 1 29 LYS HG3 4.500 . 4.500 3.145 3.022 3.292 . 0 0 "[ . 1 . 2]" 1
434 1 29 LYS HA 1 29 LYS HG2 4.500 . 4.500 3.968 3.883 4.083 . 0 0 "[ . 1 . 2]" 1
435 1 29 LYS HA 1 36 ASN HA 5.500 . 5.500 5.489 5.397 5.524 0.024 17 0 "[ . 1 . 2]" 1
436 1 26 THR MG 1 29 LYS HB3 4.500 . 4.500 3.278 3.087 3.590 . 0 0 "[ . 1 . 2]" 1
437 1 29 LYS HB3 1 29 LYS HE3 5.500 . 5.500 5.306 4.619 5.481 . 0 0 "[ . 1 . 2]" 1
438 1 29 LYS HB3 1 29 LYS HE2 5.500 . 5.500 4.634 4.363 5.451 . 0 0 "[ . 1 . 2]" 1
439 1 29 LYS HB3 1 37 SER HA 4.500 . 4.500 4.475 4.321 4.545 0.045 19 0 "[ . 1 . 2]" 1
440 1 28 LYS HB2 1 29 LYS HB2 6.500 . 6.500 6.327 6.033 6.485 . 0 0 "[ . 1 . 2]" 1
441 1 29 LYS H 1 29 LYS HD3 4.500 . 4.500 3.304 2.767 3.690 . 0 0 "[ . 1 . 2]" 1
442 1 29 LYS H 1 29 LYS HE3 6.500 . 6.500 4.056 2.401 4.760 . 0 0 "[ . 1 . 2]" 1
443 1 29 LYS H 1 29 LYS HG3 4.500 . 4.500 2.640 2.495 2.830 . 0 0 "[ . 1 . 2]" 1
444 1 29 LYS H 1 37 SER HA 3.500 . 3.500 3.534 3.491 3.595 0.095 17 0 "[ . 1 . 2]" 1
445 1 28 LYS HE3 1 31 THR MG . . 3.500 3.437 3.127 3.558 0.058 15 0 "[ . 1 . 2]" 1
446 1 28 LYS HE2 1 31 THR MG . . 3.500 3.491 3.318 3.523 0.023 1 0 "[ . 1 . 2]" 1
447 1 29 LYS HB2 1 31 THR MG . . 3.500 3.528 3.484 3.571 0.071 19 0 "[ . 1 . 2]" 1
448 1 29 LYS HD3 1 31 THR MG . . 3.500 3.168 2.770 3.510 0.010 9 0 "[ . 1 . 2]" 1
449 1 29 LYS HD2 1 31 THR MG . . 3.500 3.278 2.501 3.508 0.008 9 0 "[ . 1 . 2]" 1
450 1 29 LYS HA 1 31 THR H 6.500 . 6.500 6.041 6.018 6.069 . 0 0 "[ . 1 . 2]" 1
451 1 31 THR H 1 31 THR MG 3.500 . 3.500 2.728 2.342 2.996 . 0 0 "[ . 1 . 2]" 1
452 1 31 THR H 1 33 VAL MG1 6.000 . 6.000 5.970 5.842 6.021 0.021 12 0 "[ . 1 . 2]" 1
453 1 31 THR H 1 33 VAL MG2 6.500 . 6.500 4.589 4.470 4.808 . 0 0 "[ . 1 . 2]" 1
454 1 31 THR H 1 34 ASP H 5.500 . 5.500 3.481 3.342 3.638 . 0 0 "[ . 1 . 2]" 1
455 1 31 THR H 1 36 ASN H 6.500 . 6.500 3.037 2.928 3.314 . 0 0 "[ . 1 . 2]" 1
456 1 32 ALA MB 1 33 VAL MG2 5.500 . 5.500 4.290 4.180 4.453 . 0 0 "[ . 1 . 2]" 1
457 1 32 ALA H 1 32 ALA MB 3.500 . 3.500 2.137 2.041 2.253 . 0 0 "[ . 1 . 2]" 1
458 1 31 THR HA 1 33 VAL MG1 5.500 . 5.500 5.384 5.253 5.521 0.021 15 0 "[ . 1 . 2]" 1
459 1 32 ALA MB 1 33 VAL MG1 3.500 . 3.500 2.860 2.651 3.020 . 0 0 "[ . 1 . 2]" 1
460 1 33 VAL HA 1 33 VAL MG1 3.500 . 3.500 2.508 2.458 2.574 . 0 0 "[ . 1 . 2]" 1
461 1 33 VAL MG1 1 34 ASP HA 5.500 . 5.500 5.509 5.464 5.542 0.042 17 0 "[ . 1 . 2]" 1
462 1 33 VAL MG1 1 34 ASP HB2 5.500 . 5.500 4.783 4.640 4.957 . 0 0 "[ . 1 . 2]" 1
463 1 31 THR HA 1 33 VAL MG2 . . 5.500 4.935 4.634 5.247 . 0 0 "[ . 1 . 2]" 1
464 1 33 VAL MG2 1 34 ASP HB2 . . 3.500 2.032 1.870 2.428 . 0 0 "[ . 1 . 2]" 1
465 1 33 VAL HA 1 33 VAL MG2 3.500 . 3.500 3.172 3.156 3.182 . 0 0 "[ . 1 . 2]" 1
466 1 33 VAL H 1 33 VAL MG2 3.500 . 3.500 2.501 2.352 2.664 . 0 0 "[ . 1 . 2]" 1
467 1 33 VAL MG2 1 34 ASP HA 3.500 . 3.500 3.548 3.524 3.593 0.093 2 0 "[ . 1 . 2]" 1
468 1 31 THR HB 1 33 VAL H 6.000 . 6.000 3.465 3.089 3.984 . 0 0 "[ . 1 . 2]" 1
469 1 32 ALA HA 1 33 VAL H 3.500 . 3.500 3.541 3.518 3.552 0.052 16 0 "[ . 1 . 2]" 1
470 1 32 ALA MB 1 33 VAL H 3.500 . 3.500 2.500 2.276 2.717 . 0 0 "[ . 1 . 2]" 1
471 1 32 ALA H 1 33 VAL H 5.500 . 5.500 2.882 2.630 3.026 . 0 0 "[ . 1 . 2]" 1
472 1 33 VAL H 1 33 VAL HB 3.500 . 3.500 3.572 3.542 3.600 0.100 11 0 "[ . 1 . 2]" 1
473 1 33 VAL H 1 33 VAL MG1 3.500 . 3.500 1.922 1.814 2.030 . 0 0 "[ . 1 . 2]" 1
474 1 33 VAL H 1 34 ASP HA 5.500 . 5.500 5.135 5.024 5.198 . 0 0 "[ . 1 . 2]" 1
475 1 33 VAL H 1 34 ASP HB2 6.000 . 6.000 5.012 4.843 5.155 . 0 0 "[ . 1 . 2]" 1
476 1 28 LYS HE3 1 34 ASP HB3 5.500 . 5.500 4.312 3.764 4.839 . 0 0 "[ . 1 . 2]" 1
477 1 28 LYS HE2 1 34 ASP HB3 5.500 . 5.500 3.245 2.513 3.843 . 0 0 "[ . 1 . 2]" 1
478 1 33 VAL MG2 1 34 ASP HB3 5.500 . 5.500 3.515 3.285 3.696 . 0 0 "[ . 1 . 2]" 1
479 1 28 LYS HE3 1 34 ASP HB2 5.500 . 5.500 4.597 4.081 5.311 . 0 0 "[ . 1 . 2]" 1
480 1 28 LYS HE2 1 34 ASP HB2 5.500 . 5.500 4.103 3.490 4.989 . 0 0 "[ . 1 . 2]" 1
481 1 31 THR HB 1 34 ASP H 5.500 . 5.500 3.855 3.401 4.271 . 0 0 "[ . 1 . 2]" 1
482 1 31 THR MG 1 34 ASP H 5.500 . 5.500 3.779 3.338 4.152 . 0 0 "[ . 1 . 2]" 1
483 1 32 ALA HA 1 34 ASP H 4.500 . 4.500 4.518 4.463 4.548 0.048 10 0 "[ . 1 . 2]" 1
484 1 32 ALA H 1 34 ASP H 6.000 . 6.000 4.162 4.024 4.291 . 0 0 "[ . 1 . 2]" 1
485 1 33 VAL HA 1 34 ASP H 3.500 . 3.500 3.525 3.513 3.534 0.034 9 0 "[ . 1 . 2]" 1
486 1 33 VAL HB 1 34 ASP H 4.500 . 4.500 3.922 3.844 4.012 . 0 0 "[ . 1 . 2]" 1
487 1 33 VAL MG2 1 34 ASP H 3.500 . 3.500 2.026 1.825 2.138 . 0 0 "[ . 1 . 2]" 1
488 1 36 ASN HB3 1 53 VAL MG1 5.500 . 5.500 3.076 2.825 3.303 . 0 0 "[ . 1 . 2]" 1
489 1 36 ASN HB3 1 53 VAL MG2 4.500 . 4.500 4.469 4.215 4.531 0.031 11 0 "[ . 1 . 2]" 1
490 1 36 ASN HB2 1 53 VAL MG1 5.500 . 5.500 4.164 3.815 4.501 . 0 0 "[ . 1 . 2]" 1
491 1 36 ASN HB2 1 53 VAL MG2 5.500 . 5.500 4.991 4.726 5.185 . 0 0 "[ . 1 . 2]" 1
492 1 28 LYS HB2 1 36 ASN H 6.500 . 6.500 6.357 6.084 6.502 0.002 5 0 "[ . 1 . 2]" 1
493 1 28 LYS HE3 1 36 ASN H 5.500 . 5.500 4.549 4.409 4.682 . 0 0 "[ . 1 . 2]" 1
494 1 28 LYS HE2 1 36 ASN H 5.500 . 5.500 2.897 2.710 3.029 . 0 0 "[ . 1 . 2]" 1
495 1 28 LYS HG3 1 36 ASN H 6.500 . 6.500 4.652 4.513 4.787 . 0 0 "[ . 1 . 2]" 1
496 1 34 ASP HA 1 36 ASN H 6.500 . 6.500 4.071 3.952 4.274 . 0 0 "[ . 1 . 2]" 1
497 1 28 LYS HA 1 37 SER HA 4.500 . 4.500 4.414 4.368 4.508 0.008 13 0 "[ . 1 . 2]" 1
498 1 29 LYS HA 1 37 SER HA 4.500 . 4.500 2.287 2.139 2.357 . 0 0 "[ . 1 . 2]" 1
499 1 37 SER HA 1 38 ILE HA 4.500 . 4.500 4.442 4.410 4.489 . 0 0 "[ . 1 . 2]" 1
500 1 26 THR MG 1 37 SER HB3 4.500 . 4.500 4.473 4.143 4.570 0.070 13 0 "[ . 1 . 2]" 1
501 1 37 SER HB3 1 57 ILE HA 4.500 . 4.500 3.176 2.955 3.923 . 0 0 "[ . 1 . 2]" 1
502 1 26 THR MG 1 37 SER HB2 4.500 . 4.500 4.519 4.364 4.578 0.078 12 0 "[ . 1 . 2]" 1
503 1 37 SER HB2 1 57 ILE HA 4.500 . 4.500 3.896 2.818 4.161 . 0 0 "[ . 1 . 2]" 1
504 1 28 LYS HB2 1 37 SER H 6.500 . 6.500 6.556 6.522 6.582 0.082 4 0 "[ . 1 . 2]" 1
505 1 36 ASN HB3 1 37 SER H 4.500 . 4.500 2.677 2.424 3.014 . 0 0 "[ . 1 . 2]" 1
506 1 36 ASN HB2 1 37 SER H 3.500 . 3.500 3.479 3.341 3.533 0.033 7 0 "[ . 1 . 2]" 1
507 1 36 ASN H 1 37 SER H 4.500 . 4.500 4.482 4.443 4.507 0.007 18 0 "[ . 1 . 2]" 1
508 1 37 SER H 1 37 SER HB3 3.500 . 3.500 2.939 2.790 3.600 0.100 7 0 "[ . 1 . 2]" 1
509 1 37 SER H 1 38 ILE H 6.000 . 6.000 4.425 4.398 4.462 . 0 0 "[ . 1 . 2]" 1
510 1 37 SER H 1 39 VAL MG2 6.500 . 6.500 6.089 5.811 6.379 . 0 0 "[ . 1 . 2]" 1
511 1 37 SER H 1 53 VAL HA 5.500 . 5.500 4.811 4.635 5.087 . 0 0 "[ . 1 . 2]" 1
512 1 37 SER H 1 53 VAL HB 6.500 . 6.500 6.131 5.868 6.328 . 0 0 "[ . 1 . 2]" 1
513 1 37 SER H 1 53 VAL MG1 4.500 . 4.500 3.065 2.805 3.258 . 0 0 "[ . 1 . 2]" 1
514 1 37 SER H 1 53 VAL MG2 4.500 . 4.500 4.428 4.080 4.519 0.019 14 0 "[ . 1 . 2]" 1
515 1 37 SER H 1 54 GLY HA2 6.000 . 6.000 4.691 4.569 4.837 . 0 0 "[ . 1 . 2]" 1
516 1 37 SER H 1 55 ARG HA 4.500 . 4.500 3.741 3.656 3.796 . 0 0 "[ . 1 . 2]" 1
517 1 37 SER H 1 55 ARG HB3 6.000 . 6.000 6.019 5.937 6.051 0.051 5 0 "[ . 1 . 2]" 1
518 1 37 SER H 1 55 ARG HB2 6.000 . 6.000 5.968 5.901 6.030 0.030 13 0 "[ . 1 . 2]" 1
519 1 37 SER H 1 60 ALA MB 6.500 . 6.500 4.227 4.029 4.407 . 0 0 "[ . 1 . 2]" 1
520 1 38 ILE HA 1 38 ILE HG13 4.500 . 4.500 2.925 2.504 3.691 . 0 0 "[ . 1 . 2]" 1
521 1 38 ILE HA 1 38 ILE MG 3.500 . 3.500 2.429 2.352 2.476 . 0 0 "[ . 1 . 2]" 1
522 1 38 ILE HA 1 39 VAL HB 4.500 . 4.500 4.404 4.301 4.487 . 0 0 "[ . 1 . 2]" 1
523 1 38 ILE HA 1 53 VAL MG2 3.500 . 3.500 2.092 1.792 2.476 0.008 13 0 "[ . 1 . 2]" 1
524 1 27 VAL MG2 1 38 ILE HB 5.500 . 5.500 1.858 1.804 2.077 . 0 0 "[ . 1 . 2]" 1
525 1 27 VAL MG2 1 38 ILE HG13 6.500 . 6.500 4.052 3.733 4.274 . 0 0 "[ . 1 . 2]" 1
526 1 38 ILE HG13 1 53 VAL MG2 4.500 . 4.500 2.597 1.965 3.470 . 0 0 "[ . 1 . 2]" 1
527 1 38 ILE MG 1 53 VAL HA 5.500 . 5.500 3.655 3.394 4.059 . 0 0 "[ . 1 . 2]" 1
528 1 27 VAL HA 1 38 ILE H 6.500 . 6.500 5.760 5.678 5.895 . 0 0 "[ . 1 . 2]" 1
529 1 27 VAL HB 1 38 ILE H 6.000 . 6.000 4.742 4.540 4.905 . 0 0 "[ . 1 . 2]" 1
530 1 27 VAL H 1 38 ILE H 4.500 . 4.500 3.782 3.714 3.903 . 0 0 "[ . 1 . 2]" 1
531 1 28 LYS HB3 1 38 ILE H 4.500 . 4.500 3.573 3.304 3.915 . 0 0 "[ . 1 . 2]" 1
532 1 28 LYS HE2 1 38 ILE H 6.500 . 6.500 5.513 5.190 5.940 . 0 0 "[ . 1 . 2]" 1
533 1 28 LYS H 1 38 ILE H 4.500 . 4.500 2.292 2.189 2.422 . 0 0 "[ . 1 . 2]" 1
534 1 29 LYS H 1 38 ILE H 4.500 . 4.500 4.461 4.371 4.545 0.045 4 0 "[ . 1 . 2]" 1
535 1 37 SER HA 1 38 ILE H 3.500 . 3.500 2.306 2.279 2.356 . 0 0 "[ . 1 . 2]" 1
536 1 37 SER HB3 1 38 ILE H 4.500 . 4.500 3.621 3.351 3.732 . 0 0 "[ . 1 . 2]" 1
537 1 37 SER HB2 1 38 ILE H 4.500 . 4.500 3.957 3.064 4.185 . 0 0 "[ . 1 . 2]" 1
538 1 38 ILE H 1 38 ILE HB 3.500 . 3.500 2.745 2.673 2.872 . 0 0 "[ . 1 . 2]" 1
539 1 38 ILE H 1 38 ILE HG13 4.500 . 4.500 3.147 2.984 3.505 . 0 0 "[ . 1 . 2]" 1
540 1 38 ILE H 1 39 VAL HA 5.500 . 5.500 4.895 4.748 4.970 . 0 0 "[ . 1 . 2]" 1
541 1 38 ILE H 1 53 VAL HA 6.000 . 6.000 4.848 4.615 5.046 . 0 0 "[ . 1 . 2]" 1
542 1 38 ILE H 1 60 ALA MB 6.000 . 6.000 3.756 3.474 4.046 . 0 0 "[ . 1 . 2]" 1
543 1 27 VAL MG1 1 39 VAL HA 5.500 . 5.500 4.914 4.631 5.125 . 0 0 "[ . 1 . 2]" 1
544 1 27 VAL MG2 1 39 VAL HA 4.500 . 4.500 2.685 2.413 2.872 . 0 0 "[ . 1 . 2]" 1
545 1 39 VAL HA 1 39 VAL MG1 3.500 . 3.500 2.446 2.377 2.530 . 0 0 "[ . 1 . 2]" 1
546 1 39 VAL HA 1 39 VAL MG2 3.500 . 3.500 2.324 2.248 2.381 . 0 0 "[ . 1 . 2]" 1
547 1 39 VAL MG1 1 41 CYS HB3 5.500 . 5.500 5.248 5.045 5.506 0.006 7 0 "[ . 1 . 2]" 1
548 1 39 VAL MG1 1 41 CYS HB2 5.500 . 5.500 5.050 4.829 5.372 . 0 0 "[ . 1 . 2]" 1
549 1 24 TYR HB3 1 39 VAL MG1 3.500 . 3.500 2.019 1.807 2.280 . 0 0 "[ . 1 . 2]" 1
550 1 24 TYR QD 1 39 VAL MG1 4.500 . 4.500 2.905 2.640 3.220 . 0 0 "[ . 1 . 2]" 1
551 1 27 VAL MG2 1 39 VAL MG1 6.500 . 6.500 4.245 4.039 4.390 . 0 0 "[ . 1 . 2]" 1
552 1 38 ILE HA 1 39 VAL MG1 5.500 . 5.500 5.424 5.392 5.461 . 0 0 "[ . 1 . 2]" 1
553 1 38 ILE MG 1 39 VAL MG1 5.500 . 5.500 4.614 4.533 4.747 . 0 0 "[ . 1 . 2]" 1
554 1 39 VAL MG1 1 60 ALA MB 3.500 . 3.500 3.398 3.228 3.525 0.025 4 0 "[ . 1 . 2]" 1
555 1 26 THR HB 1 39 VAL MG2 . . 5.500 4.259 3.690 4.736 . 0 0 "[ . 1 . 2]" 1
556 1 38 ILE HA 1 39 VAL MG2 4.500 . 4.500 3.705 3.538 3.907 . 0 0 "[ . 1 . 2]" 1
557 1 27 VAL MG2 1 39 VAL MG2 4.500 . 4.500 3.732 3.540 3.882 . 0 0 "[ . 1 . 2]" 1
558 1 38 ILE MG 1 39 VAL MG2 4.500 . 4.500 4.043 3.954 4.171 . 0 0 "[ . 1 . 2]" 1
559 1 39 VAL MG2 1 57 ILE HA 3.500 . 3.500 2.480 2.321 2.645 . 0 0 "[ . 1 . 2]" 1
560 1 39 VAL MG2 1 60 ALA MB 3.500 . 3.500 1.871 1.780 2.189 0.020 20 0 "[ . 1 . 2]" 1
561 1 27 VAL H 1 39 VAL H 6.000 . 6.000 4.432 4.290 4.601 . 0 0 "[ . 1 . 2]" 1
562 1 38 ILE HA 1 39 VAL H 3.500 . 3.500 2.254 2.190 2.310 . 0 0 "[ . 1 . 2]" 1
563 1 38 ILE MG 1 39 VAL H . . 3.500 2.166 2.020 2.427 . 0 0 "[ . 1 . 2]" 1
564 1 38 ILE H 1 39 VAL H 4.500 . 4.500 4.406 4.333 4.455 . 0 0 "[ . 1 . 2]" 1
565 1 39 VAL H 1 39 VAL MG2 3.500 . 3.500 3.187 3.109 3.292 . 0 0 "[ . 1 . 2]" 1
566 1 39 VAL H 1 51 THR MG 4.500 . 4.500 3.666 3.416 4.099 . 0 0 "[ . 1 . 2]" 1
567 1 39 VAL H 1 52 GLY HA2 6.000 . 6.000 4.871 4.779 4.992 . 0 0 "[ . 1 . 2]" 1
568 1 39 VAL H 1 52 GLY H 3.500 . 3.500 3.143 2.923 3.449 . 0 0 "[ . 1 . 2]" 1
569 1 39 VAL H 1 53 VAL HA 4.500 . 4.500 3.240 2.996 3.489 . 0 0 "[ . 1 . 2]" 1
570 1 39 VAL H 1 53 VAL HB 6.000 . 6.000 5.502 5.024 5.894 . 0 0 "[ . 1 . 2]" 1
571 1 39 VAL H 1 53 VAL MG1 5.500 . 5.500 5.182 4.958 5.489 . 0 0 "[ . 1 . 2]" 1
572 1 39 VAL H 1 53 VAL MG2 4.500 . 4.500 3.233 2.576 3.621 . 0 0 "[ . 1 . 2]" 1
573 1 39 VAL H 1 60 ALA HA 5.500 . 5.500 4.557 4.124 4.939 . 0 0 "[ . 1 . 2]" 1
574 1 39 VAL H 1 60 ALA MB 3.500 . 3.500 2.576 2.294 2.821 . 0 0 "[ . 1 . 2]" 1
575 1 39 VAL H 1 61 GLY HA2 6.500 . 6.500 5.549 5.282 5.849 . 0 0 "[ . 1 . 2]" 1
576 1 39 VAL H 1 64 ALA MB 5.500 . 5.500 4.131 3.891 4.475 . 0 0 "[ . 1 . 2]" 1
577 1 40 GLU HA 1 52 GLY HA3 6.500 . 6.500 5.825 5.570 6.068 . 0 0 "[ . 1 . 2]" 1
578 1 27 VAL MG2 1 40 GLU HG3 5.500 . 5.500 2.274 2.111 2.462 . 0 0 "[ . 1 . 2]" 1
579 1 38 ILE MG 1 40 GLU HG3 3.500 . 3.500 3.482 3.175 3.552 0.052 19 0 "[ . 1 . 2]" 1
580 1 27 VAL MG2 1 40 GLU HG2 3.500 . 3.500 2.843 2.659 3.156 . 0 0 "[ . 1 . 2]" 1
581 1 38 ILE MG 1 40 GLU HG2 4.500 . 4.500 3.321 2.883 4.109 . 0 0 "[ . 1 . 2]" 1
582 1 24 TYR HA 1 40 GLU H 5.500 . 5.500 4.161 3.964 4.378 . 0 0 "[ . 1 . 2]" 1
583 1 27 VAL MG2 1 40 GLU H 5.500 . 5.500 3.490 3.257 3.605 . 0 0 "[ . 1 . 2]" 1
584 1 28 LYS H 1 40 GLU H 6.500 . 6.500 6.524 6.341 6.612 0.112 10 0 "[ . 1 . 2]" 1
585 1 38 ILE MG 1 40 GLU H 4.500 . 4.500 4.364 4.211 4.505 0.005 15 0 "[ . 1 . 2]" 1
586 1 39 VAL HB 1 40 GLU H 4.500 . 4.500 3.970 3.869 4.063 . 0 0 "[ . 1 . 2]" 1
587 1 40 GLU H 1 40 GLU HG3 3.500 . 3.500 2.300 2.122 2.697 . 0 0 "[ . 1 . 2]" 1
588 1 40 GLU H 1 40 GLU HG2 4.500 . 4.500 3.541 3.182 4.025 . 0 0 "[ . 1 . 2]" 1
589 1 40 GLU H 1 41 CYS HA 6.000 . 6.000 4.686 4.572 4.837 . 0 0 "[ . 1 . 2]" 1
590 1 40 GLU H 1 51 THR HA 5.500 . 5.500 4.561 4.392 4.789 . 0 0 "[ . 1 . 2]" 1
591 1 24 TYR QD 1 41 CYS HA 4.500 . 4.500 3.237 2.983 3.454 . 0 0 "[ . 1 . 2]" 1
592 1 24 TYR QE 1 41 CYS HA 4.500 . 4.500 4.542 4.480 4.588 0.088 8 0 "[ . 1 . 2]" 1
593 1 41 CYS HA 1 51 THR HA 5.500 . 5.500 5.512 5.370 5.571 0.071 20 0 "[ . 1 . 2]" 1
594 1 24 TYR QE 1 41 CYS HB3 4.500 . 4.500 3.844 3.648 4.132 . 0 0 "[ . 1 . 2]" 1
595 1 41 CYS HB3 1 64 ALA MB 4.500 . 4.500 4.264 3.986 4.458 . 0 0 "[ . 1 . 2]" 1
596 1 24 TYR QE 1 41 CYS HB2 5.500 . 5.500 4.764 4.607 4.998 . 0 0 "[ . 1 . 2]" 1
597 1 41 CYS HB2 1 64 ALA MB 5.500 . 5.500 3.397 2.809 3.714 . 0 0 "[ . 1 . 2]" 1
598 1 24 TYR QD 1 41 CYS H 6.000 . 6.000 4.614 4.371 4.985 . 0 0 "[ . 1 . 2]" 1
599 1 25 VAL H 1 41 CYS H 5.500 . 5.500 4.766 4.703 4.826 . 0 0 "[ . 1 . 2]" 1
600 1 40 GLU HB3 1 41 CYS H 4.500 . 4.500 3.557 3.164 3.798 . 0 0 "[ . 1 . 2]" 1
601 1 40 GLU HB2 1 41 CYS H 4.500 . 4.500 3.927 3.553 4.165 . 0 0 "[ . 1 . 2]" 1
602 1 40 GLU HG2 1 41 CYS H 5.500 . 5.500 5.136 4.905 5.448 . 0 0 "[ . 1 . 2]" 1
603 1 40 GLU H 1 41 CYS H 6.000 . 6.000 4.240 4.084 4.444 . 0 0 "[ . 1 . 2]" 1
604 1 41 CYS H 1 41 CYS HB3 3.500 . 3.500 3.580 3.544 3.625 0.125 5 0 "[ . 1 . 2]" 1
605 1 41 CYS H 1 48 VAL MG1 5.500 . 5.500 3.190 2.423 5.253 . 0 0 "[ . 1 . 2]" 1
606 1 41 CYS H 1 49 LEU H 5.500 . 5.500 4.931 4.351 5.139 . 0 0 "[ . 1 . 2]" 1
607 1 41 CYS H 1 50 GLY HA3 6.000 . 6.000 3.458 3.253 3.790 . 0 0 "[ . 1 . 2]" 1
608 1 41 CYS H 1 50 GLY HA2 6.000 . 6.000 4.378 4.150 4.624 . 0 0 "[ . 1 . 2]" 1
609 1 41 CYS H 1 51 THR MG 6.000 . 6.000 4.520 4.078 4.853 . 0 0 "[ . 1 . 2]" 1
610 1 41 CYS H 1 52 GLY H 6.000 . 6.000 4.621 4.123 5.069 . 0 0 "[ . 1 . 2]" 1
611 1 41 CYS H 1 64 ALA MB 3.500 . 3.500 2.688 2.386 3.183 . 0 0 "[ . 1 . 2]" 1
612 1 25 VAL MG1 1 42 ARG HD3 3.500 . 3.500 2.536 1.832 3.543 0.043 12 0 "[ . 1 . 2]" 1
613 1 42 ARG HB3 1 42 ARG HD3 3.500 . 3.500 3.251 2.227 3.538 0.038 10 0 "[ . 1 . 2]" 1
614 1 25 VAL MG1 1 42 ARG HD2 3.500 . 3.500 2.914 1.836 3.555 0.055 1 0 "[ . 1 . 2]" 1
615 1 42 ARG HB3 1 42 ARG HD2 3.500 . 3.500 2.746 1.974 3.564 0.064 9 0 "[ . 1 . 2]" 1
616 1 22 LEU HA 1 42 ARG H 5.500 . 5.500 5.110 4.977 5.301 . 0 0 "[ . 1 . 2]" 1
617 1 23 HIS HA 1 42 ARG H 6.000 . 6.000 5.053 4.893 5.187 . 0 0 "[ . 1 . 2]" 1
618 1 23 HIS HD1 1 42 ARG H 6.000 . 6.000 3.625 3.323 3.906 . 0 0 "[ . 1 . 2]" 1
619 1 23 HIS H 1 42 ARG H 5.500 . 5.500 3.266 3.109 3.413 . 0 0 "[ . 1 . 2]" 1
620 1 24 TYR HA 1 42 ARG H 3.500 . 3.500 3.403 3.248 3.551 0.051 17 0 "[ . 1 . 2]" 1
621 1 24 TYR QD 1 42 ARG H 6.000 . 6.000 5.150 4.977 5.331 . 0 0 "[ . 1 . 2]" 1
622 1 25 VAL MG1 1 42 ARG H 3.500 . 3.500 3.091 2.747 3.396 . 0 0 "[ . 1 . 2]" 1
623 1 25 VAL H 1 42 ARG H 4.500 . 4.500 3.670 3.451 3.844 . 0 0 "[ . 1 . 2]" 1
624 1 40 GLU HB3 1 42 ARG H 6.500 . 6.500 5.353 5.169 5.554 . 0 0 "[ . 1 . 2]" 1
625 1 40 GLU HB2 1 42 ARG H 6.000 . 6.000 4.313 4.153 4.494 . 0 0 "[ . 1 . 2]" 1
626 1 41 CYS HA 1 42 ARG H 3.500 . 3.500 2.265 2.237 2.321 . 0 0 "[ . 1 . 2]" 1
627 1 41 CYS HB3 1 42 ARG H 4.500 . 4.500 3.955 3.922 4.020 . 0 0 "[ . 1 . 2]" 1
628 1 41 CYS HB2 1 42 ARG H 4.500 . 4.500 4.492 4.468 4.567 0.067 20 0 "[ . 1 . 2]" 1
629 1 42 ARG H 1 42 ARG HB2 3.500 . 3.500 2.956 2.672 3.140 . 0 0 "[ . 1 . 2]" 1
630 1 42 ARG H 1 42 ARG HD3 6.000 . 6.000 4.203 2.934 4.494 . 0 0 "[ . 1 . 2]" 1
631 1 42 ARG H 1 42 ARG HD2 6.000 . 6.000 4.333 3.722 4.685 . 0 0 "[ . 1 . 2]" 1
632 1 42 ARG H 1 50 GLY H 6.000 . 6.000 4.965 4.611 5.174 . 0 0 "[ . 1 . 2]" 1
633 1 43 VAL HA 1 43 VAL MG1 3.500 . 3.500 2.096 2.001 2.149 . 0 0 "[ . 1 . 2]" 1
634 1 20 LEU HB3 1 43 VAL HB 5.500 . 5.500 4.775 3.524 5.538 0.038 5 0 "[ . 1 . 2]" 1
635 1 20 LEU MD1 1 43 VAL HB 5.500 . 5.500 3.829 3.222 4.635 . 0 0 "[ . 1 . 2]" 1
636 1 21 ARG HB2 1 43 VAL HB 6.500 . 6.500 5.937 5.605 6.212 . 0 0 "[ . 1 . 2]" 1
637 1 20 LEU HB3 1 43 VAL MG1 . . 5.500 3.031 1.987 4.094 . 0 0 "[ . 1 . 2]" 1
638 1 20 LEU MD1 1 43 VAL MG1 3.500 . 3.500 2.103 1.748 2.875 0.052 6 0 "[ . 1 . 2]" 1
639 1 20 LEU MD2 1 43 VAL MG1 3.500 . 3.500 2.090 1.743 3.182 0.057 12 0 "[ . 1 . 2]" 1
640 1 21 ARG HB2 1 43 VAL MG1 5.500 . 5.500 5.097 4.740 5.320 . 0 0 "[ . 1 . 2]" 1
641 1 22 LEU MD1 1 43 VAL MG1 4.500 . 4.500 3.610 2.552 3.921 . 0 0 "[ . 1 . 2]" 1
642 1 43 VAL MG1 1 68 ALA MB 5.500 . 5.500 5.354 4.882 5.516 0.016 1 0 "[ . 1 . 2]" 1
643 1 20 LEU MD2 1 43 VAL MG2 4.500 . 4.500 3.217 2.145 4.347 . 0 0 "[ . 1 . 2]" 1
644 1 22 LEU HA 1 43 VAL MG2 4.500 . 4.500 3.739 3.333 3.937 . 0 0 "[ . 1 . 2]" 1
645 1 22 LEU HB3 1 43 VAL MG2 4.500 . 4.500 3.997 3.732 4.167 . 0 0 "[ . 1 . 2]" 1
646 1 41 CYS HB3 1 43 VAL MG2 5.500 . 5.500 5.133 4.779 5.217 . 0 0 "[ . 1 . 2]" 1
647 1 41 CYS HB2 1 43 VAL MG2 . . 5.500 5.539 5.515 5.578 0.078 17 0 "[ . 1 . 2]" 1
648 1 42 ARG HB3 1 43 VAL MG2 4.500 . 4.500 3.944 3.784 4.095 . 0 0 "[ . 1 . 2]" 1
649 1 42 ARG HB2 1 43 VAL MG2 4.500 . 4.500 4.271 4.153 4.491 . 0 0 "[ . 1 . 2]" 1
650 1 43 VAL MG2 1 47 THR HA 5.500 . 5.500 4.323 4.043 4.680 . 0 0 "[ . 1 . 2]" 1
651 1 43 VAL MG2 1 47 THR HB 4.500 . 4.500 2.941 2.554 4.284 . 0 0 "[ . 1 . 2]" 1
652 1 22 LEU MD1 1 43 VAL MG2 6.000 . 6.000 5.603 4.685 5.872 . 0 0 "[ . 1 . 2]" 1
653 1 43 VAL HA 1 43 VAL MG2 3.500 . 3.500 3.065 2.957 3.099 . 0 0 "[ . 1 . 2]" 1
654 1 43 VAL MG2 1 49 LEU MD2 5.500 . 5.500 2.174 1.782 3.073 0.018 18 0 "[ . 1 . 2]" 1
655 1 42 ARG HA 1 43 VAL H 3.500 . 3.500 2.643 2.567 2.675 . 0 0 "[ . 1 . 2]" 1
656 1 42 ARG HB3 1 43 VAL H 3.500 . 3.500 2.398 2.106 2.599 . 0 0 "[ . 1 . 2]" 1
657 1 42 ARG H 1 43 VAL H 5.500 . 5.500 4.456 4.361 4.515 . 0 0 "[ . 1 . 2]" 1
658 1 43 VAL H 1 43 VAL MG1 4.500 . 4.500 3.751 3.674 3.920 . 0 0 "[ . 1 . 2]" 1
659 1 43 VAL H 1 43 VAL MG2 3.500 . 3.500 2.291 2.166 2.418 . 0 0 "[ . 1 . 2]" 1
660 1 43 VAL H 1 44 GLY H 6.000 . 6.000 4.391 4.334 4.423 . 0 0 "[ . 1 . 2]" 1
661 1 43 VAL H 1 47 THR HB 6.000 . 6.000 4.910 4.502 5.962 . 0 0 "[ . 1 . 2]" 1
662 1 43 VAL H 1 47 THR H 5.500 . 5.500 3.341 2.966 3.599 . 0 0 "[ . 1 . 2]" 1
663 1 43 VAL H 1 48 VAL HA 4.500 . 4.500 4.031 3.744 4.461 . 0 0 "[ . 1 . 2]" 1
664 1 43 VAL H 1 48 VAL H 5.500 . 5.500 5.331 5.137 5.530 0.030 12 0 "[ . 1 . 2]" 1
665 1 43 VAL H 1 49 LEU H 5.500 . 5.500 4.499 3.944 4.696 . 0 0 "[ . 1 . 2]" 1
666 1 20 LEU HB3 1 44 GLY H 5.500 . 5.500 4.936 4.099 5.543 0.043 6 0 "[ . 1 . 2]" 1
667 1 21 ARG HB3 1 44 GLY H 4.500 . 4.500 2.651 2.257 3.117 . 0 0 "[ . 1 . 2]" 1
668 1 21 ARG HB2 1 44 GLY H 3.500 . 3.500 3.486 3.101 3.571 0.071 14 0 "[ . 1 . 2]" 1
669 1 21 ARG HD3 1 44 GLY H 5.500 . 5.500 5.059 4.357 5.520 0.020 6 0 "[ . 1 . 2]" 1
670 1 21 ARG HD2 1 44 GLY H 5.500 . 5.500 4.551 3.801 5.503 0.003 17 0 "[ . 1 . 2]" 1
671 1 43 VAL HA 1 44 GLY H 3.500 . 3.500 2.368 2.296 2.504 . 0 0 "[ . 1 . 2]" 1
672 1 43 VAL HB 1 44 GLY H 3.500 . 3.500 2.663 2.312 2.851 . 0 0 "[ . 1 . 2]" 1
673 1 43 VAL MG1 1 44 GLY H 4.500 . 4.500 2.799 2.342 2.955 . 0 0 "[ . 1 . 2]" 1
674 1 43 VAL MG2 1 44 GLY H 4.500 . 4.500 4.035 3.839 4.130 . 0 0 "[ . 1 . 2]" 1
675 1 44 GLY H 1 45 ASP H 4.500 . 4.500 2.958 2.905 3.045 . 0 0 "[ . 1 . 2]" 1
676 1 44 GLY H 1 46 GLY HA2 6.500 . 6.500 6.085 5.726 6.218 . 0 0 "[ . 1 . 2]" 1
677 1 44 GLY HA3 1 45 ASP HA 4.500 . 4.500 4.362 4.329 4.376 . 0 0 "[ . 1 . 2]" 1
678 1 45 ASP HA 1 47 THR HB 6.500 . 6.500 6.044 5.523 6.479 . 0 0 "[ . 1 . 2]" 1
679 1 43 VAL HB 1 45 ASP H 3.500 . 3.500 2.417 2.322 2.655 . 0 0 "[ . 1 . 2]" 1
680 1 43 VAL MG1 1 45 ASP H 6.000 . 6.000 4.011 3.753 4.247 . 0 0 "[ . 1 . 2]" 1
681 1 43 VAL MG2 1 45 ASP H 4.500 . 4.500 3.329 3.222 3.717 . 0 0 "[ . 1 . 2]" 1
682 1 44 GLY HA3 1 45 ASP H 3.500 . 3.500 2.969 2.785 3.020 . 0 0 "[ . 1 . 2]" 1
683 1 44 GLY HA2 1 45 ASP H 3.500 . 3.500 3.495 3.474 3.539 0.039 5 0 "[ . 1 . 2]" 1
684 1 45 ASP H 1 45 ASP HB3 3.500 . 3.500 3.015 2.316 3.537 0.037 3 0 "[ . 1 . 2]" 1
685 1 45 ASP H 1 45 ASP HB2 3.500 . 3.500 2.359 2.085 3.540 0.040 13 0 "[ . 1 . 2]" 1
686 1 45 ASP H 1 46 GLY HA3 6.000 . 6.000 5.248 5.179 5.297 . 0 0 "[ . 1 . 2]" 1
687 1 45 ASP H 1 46 GLY H 3.500 . 3.500 2.639 2.559 2.703 . 0 0 "[ . 1 . 2]" 1
688 1 45 ASP H 1 47 THR H 5.500 . 5.500 3.687 3.535 3.839 . 0 0 "[ . 1 . 2]" 1
689 1 44 GLY HA2 1 46 GLY HA3 6.500 . 6.500 5.801 5.701 6.013 . 0 0 "[ . 1 . 2]" 1
690 1 43 VAL MG2 1 46 GLY H 4.500 . 4.500 3.760 3.157 4.015 . 0 0 "[ . 1 . 2]" 1
691 1 44 GLY HA3 1 46 GLY H 5.500 . 5.500 4.176 4.130 4.288 . 0 0 "[ . 1 . 2]" 1
692 1 44 GLY HA2 1 46 GLY H 4.500 . 4.500 3.468 3.387 3.716 . 0 0 "[ . 1 . 2]" 1
693 1 45 ASP HA 1 46 GLY H 3.500 . 3.500 3.272 3.217 3.368 . 0 0 "[ . 1 . 2]" 1
694 1 45 ASP HB2 1 46 GLY H 5.500 . 5.500 4.017 3.498 4.435 . 0 0 "[ . 1 . 2]" 1
695 1 46 GLY H 1 47 THR HA 5.500 . 5.500 5.220 5.094 5.262 . 0 0 "[ . 1 . 2]" 1
696 1 46 GLY H 1 47 THR H 3.500 . 3.500 2.601 2.412 2.676 . 0 0 "[ . 1 . 2]" 1
697 1 43 VAL MG1 1 47 THR MG 6.500 . 6.500 5.891 4.236 6.528 0.028 16 0 "[ . 1 . 2]" 1
698 1 42 ARG HA 1 47 THR H 6.000 . 6.000 4.981 4.428 5.250 . 0 0 "[ . 1 . 2]" 1
699 1 42 ARG HB2 1 47 THR H 5.500 . 5.500 5.472 5.200 5.540 0.040 12 0 "[ . 1 . 2]" 1
700 1 43 VAL MG2 1 47 THR H 3.500 . 3.500 2.693 2.097 3.043 . 0 0 "[ . 1 . 2]" 1
701 1 45 ASP HA 1 47 THR H 5.500 . 5.500 4.302 4.185 4.683 . 0 0 "[ . 1 . 2]" 1
702 1 45 ASP HB2 1 47 THR H 6.000 . 6.000 3.810 2.980 4.482 . 0 0 "[ . 1 . 2]" 1
703 1 46 GLY HA3 1 47 THR H 3.500 . 3.500 3.343 3.275 3.458 . 0 0 "[ . 1 . 2]" 1
704 1 46 GLY HA2 1 47 THR H 3.500 . 3.500 3.198 3.035 3.280 . 0 0 "[ . 1 . 2]" 1
705 1 47 THR H 1 47 THR HB 3.500 . 3.500 2.779 2.465 3.114 . 0 0 "[ . 1 . 2]" 1
706 1 47 THR H 1 47 THR MG 4.500 . 4.500 3.720 2.079 3.845 . 0 0 "[ . 1 . 2]" 1
707 1 47 THR H 1 48 VAL H 4.500 . 4.500 4.510 4.341 4.547 0.047 14 0 "[ . 1 . 2]" 1
708 1 47 THR H 1 49 LEU MD2 6.500 . 6.500 6.078 5.740 6.572 0.072 13 0 "[ . 1 . 2]" 1
709 1 48 VAL HA 1 48 VAL MG1 3.500 . 3.500 2.340 2.108 3.192 . 0 0 "[ . 1 . 2]" 1
710 1 40 GLU HA 1 48 VAL MG1 5.500 . 5.500 3.366 3.070 5.078 . 0 0 "[ . 1 . 2]" 1
711 1 48 VAL MG1 1 49 LEU HA 4.500 . 4.500 4.222 3.906 4.489 . 0 0 "[ . 1 . 2]" 1
712 1 48 VAL MG1 1 50 GLY HA3 5.500 . 5.500 4.316 4.050 5.517 0.017 19 0 "[ . 1 . 2]" 1
713 1 42 ARG HA 1 48 VAL H 6.000 . 6.000 4.446 4.207 4.675 . 0 0 "[ . 1 . 2]" 1
714 1 47 THR HB 1 48 VAL H 4.500 . 4.500 3.735 3.215 4.388 . 0 0 "[ . 1 . 2]" 1
715 1 47 THR MG 1 48 VAL H 3.500 . 3.500 2.355 1.857 3.474 . 0 0 "[ . 1 . 2]" 1
716 1 48 VAL H 1 48 VAL MG1 4.500 . 4.500 3.718 2.247 3.831 . 0 0 "[ . 1 . 2]" 1
717 1 48 VAL H 1 48 VAL MG2 4.500 . 4.500 2.314 1.900 3.854 . 0 0 "[ . 1 . 2]" 1
718 1 48 VAL H 1 49 LEU H 5.500 . 5.500 4.308 4.201 4.364 . 0 0 "[ . 1 . 2]" 1
719 1 11 LEU MD1 1 49 LEU MD2 5.500 . 5.500 2.931 1.880 3.727 . 0 0 "[ . 1 . 2]" 1
720 1 15 ILE MG 1 49 LEU MD2 4.500 . 4.500 2.130 1.796 2.764 0.004 8 0 "[ . 1 . 2]" 1
721 1 41 CYS HA 1 49 LEU MD2 5.500 . 5.500 5.357 4.776 5.585 0.085 19 0 "[ . 1 . 2]" 1
722 1 49 LEU HB3 1 49 LEU MD2 3.500 . 3.500 2.171 1.981 2.362 . 0 0 "[ . 1 . 2]" 1
723 1 49 LEU HB2 1 49 LEU MD2 3.500 . 3.500 2.511 2.217 2.671 . 0 0 "[ . 1 . 2]" 1
724 1 49 LEU MD2 1 68 ALA MB 4.500 . 4.500 3.277 2.590 3.604 . 0 0 "[ . 1 . 2]" 1
725 1 49 LEU MD2 1 74 MET HB2 4.500 . 4.500 4.564 4.512 4.644 0.144 19 0 "[ . 1 . 2]" 1
726 1 49 LEU MD2 1 75 LEU HA 5.500 . 5.500 5.488 5.307 5.556 0.056 15 0 "[ . 1 . 2]" 1
727 1 49 LEU MD2 1 78 TYR QE 3.500 . 3.500 2.158 1.771 3.045 0.029 1 0 "[ . 1 . 2]" 1
728 1 41 CYS HB3 1 49 LEU H 5.500 . 5.500 4.559 4.203 4.910 . 0 0 "[ . 1 . 2]" 1
729 1 41 CYS HB2 1 49 LEU H 5.500 . 5.500 4.124 3.829 4.906 . 0 0 "[ . 1 . 2]" 1
730 1 42 ARG HA 1 49 LEU H 4.500 . 4.500 2.587 2.016 2.906 . 0 0 "[ . 1 . 2]" 1
731 1 47 THR MG 1 49 LEU H 6.000 . 6.000 4.544 3.742 5.347 . 0 0 "[ . 1 . 2]" 1
732 1 48 VAL HA 1 49 LEU H 3.500 . 3.500 2.178 2.143 2.232 . 0 0 "[ . 1 . 2]" 1
733 1 48 VAL HB 1 49 LEU H 6.000 . 6.000 4.321 4.190 4.437 . 0 0 "[ . 1 . 2]" 1
734 1 48 VAL MG1 1 49 LEU H 4.500 . 4.500 3.048 2.766 3.883 . 0 0 "[ . 1 . 2]" 1
735 1 48 VAL MG2 1 49 LEU H 4.500 . 4.500 4.193 2.807 4.372 . 0 0 "[ . 1 . 2]" 1
736 1 49 LEU H 1 49 LEU HB3 3.500 . 3.500 2.781 2.071 3.114 . 0 0 "[ . 1 . 2]" 1
737 1 49 LEU H 1 49 LEU MD1 4.500 . 4.500 3.342 2.670 4.376 . 0 0 "[ . 1 . 2]" 1
738 1 49 LEU H 1 49 LEU MD2 4.500 . 4.500 3.498 3.262 4.135 . 0 0 "[ . 1 . 2]" 1
739 1 49 LEU H 1 50 GLY HA3 6.000 . 6.000 4.884 4.772 5.101 . 0 0 "[ . 1 . 2]" 1
740 1 49 LEU H 1 68 ALA MB . . 4.500 4.362 4.115 4.598 0.098 20 0 "[ . 1 . 2]" 1
741 1 48 VAL MG1 1 50 GLY HA2 5.500 . 5.500 4.016 3.732 4.769 . 0 0 "[ . 1 . 2]" 1
742 1 49 LEU MD1 1 50 GLY HA2 4.500 . 4.500 3.556 3.321 4.115 . 0 0 "[ . 1 . 2]" 1
743 1 50 GLY HA2 1 68 ALA MB 3.500 . 3.500 2.264 2.075 2.531 . 0 0 "[ . 1 . 2]" 1
744 1 41 CYS HB3 1 50 GLY H 3.500 . 3.500 3.546 3.508 3.599 0.099 19 0 "[ . 1 . 2]" 1
745 1 41 CYS HB2 1 50 GLY H 3.500 . 3.500 2.304 2.110 2.771 . 0 0 "[ . 1 . 2]" 1
746 1 41 CYS H 1 50 GLY H 4.500 . 4.500 3.184 2.643 3.416 . 0 0 "[ . 1 . 2]" 1
747 1 42 ARG HA 1 50 GLY H 5.500 . 5.500 4.122 3.644 4.377 . 0 0 "[ . 1 . 2]" 1
748 1 48 VAL HB 1 50 GLY H 5.500 . 5.500 4.851 4.194 5.272 . 0 0 "[ . 1 . 2]" 1
749 1 48 VAL MG1 1 50 GLY H 4.500 . 4.500 2.674 2.246 4.023 . 0 0 "[ . 1 . 2]" 1
750 1 49 LEU HA 1 50 GLY H 3.500 . 3.500 3.510 3.423 3.552 0.052 2 0 "[ . 1 . 2]" 1
751 1 49 LEU MD2 1 50 GLY H 5.500 . 5.500 4.195 3.613 4.504 . 0 0 "[ . 1 . 2]" 1
752 1 49 LEU H 1 50 GLY H 3.500 . 3.500 2.400 2.336 2.579 . 0 0 "[ . 1 . 2]" 1
753 1 50 GLY H 1 64 ALA MB 5.500 . 5.500 4.717 4.541 4.851 . 0 0 "[ . 1 . 2]" 1
754 1 51 THR HA 1 51 THR MG 3.500 . 3.500 2.412 2.284 2.519 . 0 0 "[ . 1 . 2]" 1
755 1 38 ILE MG 1 51 THR MG . . 3.500 3.037 2.814 3.308 . 0 0 "[ . 1 . 2]" 1
756 1 51 THR MG 1 52 GLY HA3 4.500 . 4.500 4.129 3.952 4.312 . 0 0 "[ . 1 . 2]" 1
757 1 40 GLU HA 1 51 THR H 6.000 . 6.000 4.498 4.327 4.785 . 0 0 "[ . 1 . 2]" 1
758 1 50 GLY HA3 1 51 THR H 3.500 . 3.500 2.658 2.582 2.728 . 0 0 "[ . 1 . 2]" 1
759 1 50 GLY HA2 1 51 THR H 3.500 . 3.500 2.413 2.354 2.456 . 0 0 "[ . 1 . 2]" 1
760 1 50 GLY H 1 51 THR H 4.500 . 4.500 4.444 4.399 4.471 . 0 0 "[ . 1 . 2]" 1
761 1 51 THR H 1 51 THR HB 3.500 . 3.500 3.041 2.963 3.125 . 0 0 "[ . 1 . 2]" 1
762 1 51 THR H 1 51 THR MG 4.500 . 4.500 3.968 3.892 4.032 . 0 0 "[ . 1 . 2]" 1
763 1 51 THR H 1 52 GLY HA3 6.000 . 6.000 4.712 4.644 4.765 . 0 0 "[ . 1 . 2]" 1
764 1 51 THR H 1 64 ALA MB 4.500 . 4.500 2.950 2.734 3.170 . 0 0 "[ . 1 . 2]" 1
765 1 51 THR H 1 64 ALA H 5.500 . 5.500 5.456 5.353 5.562 0.062 15 0 "[ . 1 . 2]" 1
766 1 51 THR H 1 65 ALA H 5.500 . 5.500 5.476 5.252 5.556 0.056 19 0 "[ . 1 . 2]" 1
767 1 51 THR H 1 67 ASN HA 6.000 . 6.000 5.166 4.610 5.818 . 0 0 "[ . 1 . 2]" 1
768 1 51 THR H 1 67 ASN HB3 3.500 . 3.500 2.443 1.905 3.112 . 0 0 "[ . 1 . 2]" 1
769 1 51 THR H 1 67 ASN HB2 4.500 . 4.500 3.735 3.095 4.508 0.008 15 0 "[ . 1 . 2]" 1
770 1 51 THR H 1 68 ALA MB 5.500 . 5.500 3.770 3.477 4.030 . 0 0 "[ . 1 . 2]" 1
771 1 51 THR H 1 68 ALA H 6.000 . 6.000 3.508 3.268 3.753 . 0 0 "[ . 1 . 2]" 1
772 1 52 GLY HA3 1 53 VAL HB 5.500 . 5.500 5.238 5.134 5.323 . 0 0 "[ . 1 . 2]" 1
773 1 38 ILE MG 1 52 GLY H 4.500 . 4.500 3.966 3.671 4.413 . 0 0 "[ . 1 . 2]" 1
774 1 39 VAL HB 1 52 GLY H 4.500 . 4.500 3.689 3.166 4.160 . 0 0 "[ . 1 . 2]" 1
775 1 39 VAL MG1 1 52 GLY H 5.500 . 5.500 3.873 3.335 4.213 . 0 0 "[ . 1 . 2]" 1
776 1 39 VAL MG2 1 52 GLY H 5.500 . 5.500 4.981 4.658 5.289 . 0 0 "[ . 1 . 2]" 1
777 1 40 GLU HG3 1 52 GLY H 5.500 . 5.500 5.276 4.739 5.521 0.021 19 0 "[ . 1 . 2]" 1
778 1 51 THR HA 1 52 GLY H 3.500 . 3.500 2.245 2.136 2.311 . 0 0 "[ . 1 . 2]" 1
779 1 51 THR HB 1 52 GLY H 4.500 . 4.500 4.056 3.768 4.391 . 0 0 "[ . 1 . 2]" 1
780 1 51 THR MG 1 52 GLY H 3.500 . 3.500 2.310 1.899 2.889 . 0 0 "[ . 1 . 2]" 1
781 1 51 THR H 1 52 GLY H 5.500 . 5.500 4.162 3.851 4.292 . 0 0 "[ . 1 . 2]" 1
782 1 52 GLY H 1 53 VAL HA 6.000 . 6.000 4.685 4.566 4.867 . 0 0 "[ . 1 . 2]" 1
783 1 52 GLY H 1 53 VAL MG1 6.500 . 6.500 6.354 6.204 6.549 0.049 15 0 "[ . 1 . 2]" 1
784 1 52 GLY H 1 53 VAL MG2 6.500 . 6.500 4.481 4.025 4.878 . 0 0 "[ . 1 . 2]" 1
785 1 52 GLY H 1 60 ALA MB 5.500 . 5.500 4.118 3.957 4.336 . 0 0 "[ . 1 . 2]" 1
786 1 52 GLY H 1 64 ALA HA 4.500 . 4.500 3.556 3.168 4.047 . 0 0 "[ . 1 . 2]" 1
787 1 52 GLY H 1 64 ALA MB . . 3.500 2.116 1.764 2.458 0.036 15 0 "[ . 1 . 2]" 1
788 1 38 ILE HA 1 53 VAL HA 4.500 . 4.500 2.297 2.089 2.485 . 0 0 "[ . 1 . 2]" 1
789 1 37 SER HB2 1 53 VAL MG1 5.500 . 5.500 5.358 4.433 5.541 0.041 8 0 "[ . 1 . 2]" 1
790 1 53 VAL HA 1 53 VAL MG1 3.500 . 3.500 2.684 2.620 2.736 . 0 0 "[ . 1 . 2]" 1
791 1 53 VAL H 1 53 VAL MG2 4.500 . 4.500 3.205 3.042 3.410 . 0 0 "[ . 1 . 2]" 1
792 1 53 VAL HA 1 53 VAL MG2 3.500 . 3.500 2.107 1.988 2.254 . 0 0 "[ . 1 . 2]" 1
793 1 38 ILE HA 1 53 VAL H 6.000 . 6.000 4.917 4.720 5.092 . 0 0 "[ . 1 . 2]" 1
794 1 52 GLY HA3 1 53 VAL H 3.500 . 3.500 2.947 2.862 3.064 . 0 0 "[ . 1 . 2]" 1
795 1 52 GLY HA2 1 53 VAL H 3.500 . 3.500 2.218 2.146 2.276 . 0 0 "[ . 1 . 2]" 1
796 1 52 GLY H 1 53 VAL H 4.500 . 4.500 4.303 4.172 4.441 . 0 0 "[ . 1 . 2]" 1
797 1 53 VAL H 1 53 VAL MG1 3.500 . 3.500 3.577 3.531 3.601 0.101 12 0 "[ . 1 . 2]" 1
798 1 53 VAL H 1 54 GLY HA3 6.000 . 6.000 5.383 5.159 5.510 . 0 0 "[ . 1 . 2]" 1
799 1 53 VAL H 1 54 GLY HA2 6.000 . 6.000 5.123 4.942 5.193 . 0 0 "[ . 1 . 2]" 1
800 1 53 VAL H 1 60 ALA HA 4.500 . 4.500 3.677 3.201 4.094 . 0 0 "[ . 1 . 2]" 1
801 1 53 VAL H 1 60 ALA MB 5.500 . 5.500 4.139 3.798 4.664 . 0 0 "[ . 1 . 2]" 1
802 1 53 VAL H 1 63 ARG HD3 5.500 . 5.500 3.677 2.376 5.174 . 0 0 "[ . 1 . 2]" 1
803 1 53 VAL H 1 63 ARG HD2 5.500 . 5.500 3.429 2.086 4.873 . 0 0 "[ . 1 . 2]" 1
804 1 53 VAL H 1 64 ALA MB 6.000 . 6.000 4.893 4.697 5.058 . 0 0 "[ . 1 . 2]" 1
805 1 53 VAL H 1 64 ALA H 5.500 . 5.500 5.214 4.840 5.399 . 0 0 "[ . 1 . 2]" 1
806 1 54 GLY HA3 1 59 ILE MG 3.500 . 3.500 1.985 1.831 2.231 . 0 0 "[ . 1 . 2]" 1
807 1 37 SER HA 1 54 GLY H 6.500 . 6.500 4.804 4.645 5.022 . 0 0 "[ . 1 . 2]" 1
808 1 37 SER HB3 1 54 GLY H 4.500 . 4.500 3.330 2.910 4.588 0.088 13 0 "[ . 1 . 2]" 1
809 1 37 SER HB2 1 54 GLY H 5.500 . 5.500 4.533 2.892 4.800 . 0 0 "[ . 1 . 2]" 1
810 1 37 SER H 1 54 GLY H 4.500 . 4.500 3.177 3.014 3.393 . 0 0 "[ . 1 . 2]" 1
811 1 38 ILE HA 1 54 GLY H 4.500 . 4.500 3.489 3.344 3.776 . 0 0 "[ . 1 . 2]" 1
812 1 39 VAL HB 1 54 GLY H 6.500 . 6.500 5.592 5.307 5.880 . 0 0 "[ . 1 . 2]" 1
813 1 39 VAL MG2 1 54 GLY H 5.500 . 5.500 4.812 4.575 5.108 . 0 0 "[ . 1 . 2]" 1
814 1 39 VAL H 1 54 GLY H 6.000 . 6.000 4.918 4.591 5.146 . 0 0 "[ . 1 . 2]" 1
815 1 53 VAL HA 1 54 GLY H 3.500 . 3.500 2.244 2.192 2.281 . 0 0 "[ . 1 . 2]" 1
816 1 53 VAL HB 1 54 GLY H 4.500 . 4.500 4.217 4.148 4.308 . 0 0 "[ . 1 . 2]" 1
817 1 53 VAL MG1 1 54 GLY H 4.500 . 4.500 2.336 2.152 2.564 . 0 0 "[ . 1 . 2]" 1
818 1 53 VAL MG2 1 54 GLY H 3.500 . 3.500 3.484 3.353 3.556 0.056 4 0 "[ . 1 . 2]" 1
819 1 53 VAL H 1 54 GLY H 4.500 . 4.500 4.485 4.403 4.530 0.030 16 0 "[ . 1 . 2]" 1
820 1 54 GLY H 1 57 ILE HG13 6.500 . 6.500 6.557 6.519 6.614 0.114 7 0 "[ . 1 . 2]" 1
821 1 54 GLY H 1 59 ILE MG 5.500 . 5.500 4.133 3.947 4.390 . 0 0 "[ . 1 . 2]" 1
822 1 54 GLY H 1 60 ALA HA 4.500 . 4.500 3.143 2.813 3.355 . 0 0 "[ . 1 . 2]" 1
823 1 54 GLY H 1 60 ALA MB 3.500 . 3.500 2.101 1.858 2.354 . 0 0 "[ . 1 . 2]" 1
824 1 54 GLY H 1 61 GLY H 5.500 . 5.500 5.522 5.454 5.573 0.073 13 0 "[ . 1 . 2]" 1
825 1 55 ARG HA 1 55 ARG HD3 5.500 . 5.500 5.376 5.267 5.431 . 0 0 "[ . 1 . 2]" 1
826 1 55 ARG HA 1 55 ARG HD2 4.500 . 4.500 4.400 4.301 4.487 . 0 0 "[ . 1 . 2]" 1
827 1 55 ARG HB3 1 55 ARG HD3 3.500 . 3.500 3.494 3.398 3.538 0.038 18 0 "[ . 1 . 2]" 1
828 1 55 ARG HB3 1 55 ARG HD2 3.500 . 3.500 2.223 2.061 2.428 . 0 0 "[ . 1 . 2]" 1
829 1 55 ARG HB3 1 56 ASN HB2 5.500 . 5.500 5.182 5.080 5.263 . 0 0 "[ . 1 . 2]" 1
830 1 55 ARG HB3 1 59 ILE MD 5.500 . 5.500 5.524 5.474 5.559 0.059 20 0 "[ . 1 . 2]" 1
831 1 37 SER HB3 1 55 ARG HB2 6.500 . 6.500 6.347 6.011 6.542 0.042 7 0 "[ . 1 . 2]" 1
832 1 55 ARG HB2 1 56 ASN HB2 4.500 . 4.500 3.959 3.819 4.177 . 0 0 "[ . 1 . 2]" 1
833 1 55 ARG HB2 1 59 ILE MD 6.500 . 6.500 5.728 5.626 5.815 . 0 0 "[ . 1 . 2]" 1
834 1 55 ARG HD3 1 59 ILE MD 4.500 . 4.500 3.019 2.910 3.131 . 0 0 "[ . 1 . 2]" 1
835 1 55 ARG HD2 1 59 ILE MD 4.500 . 4.500 4.286 4.036 4.515 0.015 14 0 "[ . 1 . 2]" 1
836 1 37 SER HB3 1 55 ARG HG3 6.500 . 6.500 6.312 6.118 6.544 0.044 7 0 "[ . 1 . 2]" 1
837 1 37 SER HB2 1 55 ARG HG3 6.500 . 6.500 6.389 6.131 6.522 0.022 5 0 "[ . 1 . 2]" 1
838 1 55 ARG HA 1 55 ARG HG3 4.500 . 4.500 3.984 3.899 4.036 . 0 0 "[ . 1 . 2]" 1
839 1 55 ARG HG3 1 56 ASN HA 5.500 . 5.500 4.474 4.256 4.655 . 0 0 "[ . 1 . 2]" 1
840 1 55 ARG HG3 1 56 ASN HB2 3.500 . 3.500 2.658 2.385 2.880 . 0 0 "[ . 1 . 2]" 1
841 1 37 SER HB3 1 55 ARG HG2 6.500 . 6.500 5.781 5.582 6.516 0.016 7 0 "[ . 1 . 2]" 1
842 1 37 SER HB2 1 55 ARG HG2 6.500 . 6.500 6.207 5.972 6.445 . 0 0 "[ . 1 . 2]" 1
843 1 54 GLY HA3 1 55 ARG HG2 4.500 . 4.500 3.751 3.667 3.828 . 0 0 "[ . 1 . 2]" 1
844 1 55 ARG HA 1 55 ARG HG2 3.500 . 3.500 3.554 3.531 3.601 0.101 13 0 "[ . 1 . 2]" 1
845 1 55 ARG HG2 1 56 ASN HA 5.500 . 5.500 4.822 4.640 5.060 . 0 0 "[ . 1 . 2]" 1
846 1 55 ARG HG2 1 56 ASN HB2 4.500 . 4.500 3.680 3.501 4.030 . 0 0 "[ . 1 . 2]" 1
847 1 54 GLY HA2 1 55 ARG H 5.500 . 5.500 2.418 2.318 2.912 . 0 0 "[ . 1 . 2]" 1
848 1 55 ARG H 1 59 ILE MG 6.000 . 6.000 2.358 2.008 2.611 . 0 0 "[ . 1 . 2]" 1
849 1 56 ASN H 1 56 ASN HB2 3.500 . 3.500 2.657 2.533 2.837 . 0 0 "[ . 1 . 2]" 1
850 1 37 SER HB3 1 56 ASN H 4.500 . 4.500 3.917 3.676 4.535 0.035 7 0 "[ . 1 . 2]" 1
851 1 37 SER HB2 1 56 ASN H 4.500 . 4.500 4.326 4.100 4.517 0.017 12 0 "[ . 1 . 2]" 1
852 1 54 GLY HA2 1 56 ASN H 5.500 . 5.500 4.351 4.156 4.785 . 0 0 "[ . 1 . 2]" 1
853 1 54 GLY H 1 56 ASN H 5.500 . 5.500 4.762 4.643 4.997 . 0 0 "[ . 1 . 2]" 1
854 1 55 ARG HA 1 56 ASN H 3.500 . 3.500 3.515 3.488 3.536 0.036 17 0 "[ . 1 . 2]" 1
855 1 55 ARG HB3 1 56 ASN H 4.500 . 4.500 3.924 3.801 4.011 . 0 0 "[ . 1 . 2]" 1
856 1 55 ARG HB2 1 56 ASN H 3.500 . 3.500 3.510 3.352 3.573 0.073 7 0 "[ . 1 . 2]" 1
857 1 55 ARG HG3 1 56 ASN H 3.500 . 3.500 2.573 2.339 2.740 . 0 0 "[ . 1 . 2]" 1
858 1 55 ARG HG2 1 56 ASN H 3.500 . 3.500 2.074 1.840 2.326 . 0 0 "[ . 1 . 2]" 1
859 1 55 ARG H 1 56 ASN H 4.500 . 4.500 2.835 2.385 2.970 . 0 0 "[ . 1 . 2]" 1
860 1 56 ASN H 1 56 ASN HB3 3.500 . 3.500 3.257 2.996 3.518 0.018 6 0 "[ . 1 . 2]" 1
861 1 56 ASN H 1 57 ILE HA 6.000 . 6.000 5.188 5.129 5.231 . 0 0 "[ . 1 . 2]" 1
862 1 56 ASN H 1 59 ILE HB 3.500 . 3.500 2.359 2.089 2.566 . 0 0 "[ . 1 . 2]" 1
863 1 56 ASN H 1 59 ILE MD 4.500 . 4.500 4.191 4.020 4.295 . 0 0 "[ . 1 . 2]" 1
864 1 56 ASN H 1 59 ILE MG 4.500 . 4.500 3.843 3.477 4.043 . 0 0 "[ . 1 . 2]" 1
865 1 56 ASN H 1 59 ILE H 3.500 . 3.500 3.121 3.037 3.280 . 0 0 "[ . 1 . 2]" 1
866 1 56 ASN H 1 60 ALA HA 6.000 . 6.000 5.852 5.619 6.006 0.006 17 0 "[ . 1 . 2]" 1
867 1 56 ASN H 1 60 ALA MB 4.500 . 4.500 4.452 4.265 4.532 0.032 20 0 "[ . 1 . 2]" 1
868 1 56 ASN H 1 60 ALA H 4.500 . 4.500 3.732 3.613 3.820 . 0 0 "[ . 1 . 2]" 1
869 1 56 ASN HB3 1 57 ILE HB 4.500 . 4.500 4.152 3.831 4.506 0.006 3 0 "[ . 1 . 2]" 1
870 1 57 ILE HA 1 57 ILE HG13 3.500 . 3.500 2.136 2.074 2.184 . 0 0 "[ . 1 . 2]" 1
871 1 57 ILE HA 1 57 ILE HG12 3.500 . 3.500 3.296 2.939 3.413 . 0 0 "[ . 1 . 2]" 1
872 1 39 VAL HB 1 57 ILE MG . . 4.500 4.448 4.031 4.551 0.051 5 0 "[ . 1 . 2]" 1
873 1 57 ILE MG 1 61 GLY HA3 4.500 . 4.500 3.916 3.623 4.221 . 0 0 "[ . 1 . 2]" 1
874 1 57 ILE HA 1 57 ILE MG 3.500 . 3.500 2.555 2.485 2.635 . 0 0 "[ . 1 . 2]" 1
875 1 57 ILE MD 1 57 ILE MG 3.500 . 3.500 3.006 2.668 3.101 . 0 0 "[ . 1 . 2]" 1
876 1 37 SER HB3 1 57 ILE H 6.000 . 6.000 3.783 3.260 4.129 . 0 0 "[ . 1 . 2]" 1
877 1 37 SER HB2 1 57 ILE H 6.000 . 6.000 3.674 3.343 3.957 . 0 0 "[ . 1 . 2]" 1
878 1 37 SER H 1 57 ILE H 6.500 . 6.500 6.376 6.060 6.556 0.056 7 0 "[ . 1 . 2]" 1
879 1 56 ASN HA 1 57 ILE H 3.500 . 3.500 2.570 2.395 2.708 . 0 0 "[ . 1 . 2]" 1
880 1 56 ASN HB2 1 57 ILE H 4.500 . 4.500 3.795 3.598 4.036 . 0 0 "[ . 1 . 2]" 1
881 1 56 ASN H 1 57 ILE H 6.000 . 6.000 4.401 4.345 4.447 . 0 0 "[ . 1 . 2]" 1
882 1 57 ILE H 1 57 ILE HB 3.500 . 3.500 2.350 2.273 2.491 . 0 0 "[ . 1 . 2]" 1
883 1 57 ILE H 1 57 ILE MG 4.500 . 4.500 3.712 3.678 3.768 . 0 0 "[ . 1 . 2]" 1
884 1 57 ILE H 1 58 LYS HA 5.500 . 5.500 5.225 5.093 5.494 . 0 0 "[ . 1 . 2]" 1
885 1 57 ILE H 1 58 LYS H 3.500 . 3.500 2.676 2.521 2.962 . 0 0 "[ . 1 . 2]" 1
886 1 57 ILE H 1 61 GLY H 6.500 . 6.500 5.721 5.568 5.888 . 0 0 "[ . 1 . 2]" 1
887 1 57 ILE MG 1 58 LYS HA 5.500 . 5.500 3.314 3.099 3.379 . 0 0 "[ . 1 . 2]" 1
888 1 58 LYS HA 1 58 LYS HD3 5.500 . 5.500 2.086 2.039 2.146 . 0 0 "[ . 1 . 2]" 1
889 1 58 LYS HA 1 58 LYS HD2 5.500 . 5.500 3.623 3.549 3.695 . 0 0 "[ . 1 . 2]" 1
890 1 58 LYS HA 1 59 ILE HG12 6.500 . 6.500 5.937 5.818 6.108 . 0 0 "[ . 1 . 2]" 1
891 1 58 LYS HA 1 61 GLY HA3 3.500 . 3.500 3.489 3.422 3.581 0.081 20 0 "[ . 1 . 2]" 1
892 1 58 LYS HB3 1 58 LYS HD3 3.500 . 3.500 3.551 3.531 3.573 0.073 14 0 "[ . 1 . 2]" 1
893 1 58 LYS HB2 1 58 LYS HD3 3.500 . 3.500 3.240 3.166 3.310 . 0 0 "[ . 1 . 2]" 1
894 1 56 ASN HB3 1 58 LYS HD3 6.500 . 6.500 6.250 6.083 6.476 . 0 0 "[ . 1 . 2]" 1
895 1 57 ILE MG 1 58 LYS HD3 5.500 . 5.500 5.067 4.926 5.171 . 0 0 "[ . 1 . 2]" 1
896 1 58 LYS HD3 1 61 GLY HA3 4.500 . 4.500 3.903 3.847 3.947 . 0 0 "[ . 1 . 2]" 1
897 1 58 LYS HD2 1 61 GLY HA3 5.500 . 5.500 5.447 5.370 5.512 0.012 6 0 "[ . 1 . 2]" 1
898 1 57 ILE MG 1 58 LYS HE3 4.500 . 4.500 4.518 4.477 4.547 0.047 18 0 "[ . 1 . 2]" 1
899 1 58 LYS HB3 1 58 LYS HE3 3.500 . 3.500 3.531 3.501 3.567 0.067 8 0 "[ . 1 . 2]" 1
900 1 58 LYS HB2 1 58 LYS HE3 3.500 . 3.500 2.027 1.966 2.107 . 0 0 "[ . 1 . 2]" 1
901 1 58 LYS HE3 1 58 LYS HG2 3.500 . 3.500 2.569 2.476 2.677 . 0 0 "[ . 1 . 2]" 1
902 1 58 LYS HE3 1 59 ILE MD 5.500 . 5.500 5.075 5.025 5.113 . 0 0 "[ . 1 . 2]" 1
903 1 58 LYS HE3 1 62 ILE HA 6.500 . 6.500 6.530 6.503 6.569 0.069 8 0 "[ . 1 . 2]" 1
904 1 57 ILE MG 1 58 LYS HE2 5.500 . 5.500 4.702 4.442 5.005 . 0 0 "[ . 1 . 2]" 1
905 1 58 LYS HB3 1 58 LYS HE2 5.500 . 5.500 4.735 4.647 4.812 . 0 0 "[ . 1 . 2]" 1
906 1 58 LYS HB2 1 58 LYS HE2 3.500 . 3.500 3.533 3.485 3.563 0.063 2 0 "[ . 1 . 2]" 1
907 1 58 LYS HE2 1 59 ILE MD 5.500 . 5.500 5.522 5.477 5.543 0.043 17 0 "[ . 1 . 2]" 1
908 1 58 LYS HE2 1 62 ILE HA 5.500 . 5.500 5.188 5.141 5.235 . 0 0 "[ . 1 . 2]" 1
909 1 58 LYS HA 1 58 LYS HG3 4.500 . 4.500 3.451 3.428 3.480 . 0 0 "[ . 1 . 2]" 1
910 1 58 LYS HG2 1 62 ILE HG12 5.500 . 5.500 4.796 4.720 4.863 . 0 0 "[ . 1 . 2]" 1
911 1 56 ASN HA 1 58 LYS H 4.500 . 4.500 4.105 3.998 4.553 0.053 20 0 "[ . 1 . 2]" 1
912 1 56 ASN HB3 1 58 LYS H 3.500 . 3.500 2.197 2.119 2.698 . 0 0 "[ . 1 . 2]" 1
913 1 56 ASN H 1 58 LYS H 6.000 . 6.000 4.032 3.921 4.931 . 0 0 "[ . 1 . 2]" 1
914 1 57 ILE HA 1 58 LYS H 3.500 . 3.500 3.393 3.353 3.544 0.044 20 0 "[ . 1 . 2]" 1
915 1 57 ILE MG 1 58 LYS H 3.500 . 3.500 3.546 2.995 3.636 0.136 17 0 "[ . 1 . 2]" 1
916 1 58 LYS H 1 58 LYS HB3 3.500 . 3.500 2.370 2.308 2.482 . 0 0 "[ . 1 . 2]" 1
917 1 58 LYS H 1 58 LYS HD3 4.500 . 4.500 4.494 4.461 4.520 0.020 9 0 "[ . 1 . 2]" 1
918 1 58 LYS H 1 58 LYS HG3 4.500 . 4.500 4.327 4.234 4.466 . 0 0 "[ . 1 . 2]" 1
919 1 58 LYS H 1 58 LYS HG2 4.500 . 4.500 4.642 4.605 4.668 0.168 19 0 "[ . 1 . 2]" 1
920 1 58 LYS H 1 59 ILE H 3.500 . 3.500 2.628 2.557 3.013 . 0 0 "[ . 1 . 2]" 1
921 1 59 ILE HA 1 59 ILE MD 3.500 . 3.500 1.858 1.837 1.909 . 0 0 "[ . 1 . 2]" 1
922 1 59 ILE HA 1 59 ILE MG 3.500 . 3.500 2.433 2.340 2.485 . 0 0 "[ . 1 . 2]" 1
923 1 59 ILE HA 1 62 ILE HB 3.500 . 3.500 2.490 2.379 2.554 . 0 0 "[ . 1 . 2]" 1
924 1 54 GLY HA2 1 59 ILE HB 4.500 . 4.500 3.152 2.910 3.601 . 0 0 "[ . 1 . 2]" 1
925 1 55 ARG HG3 1 59 ILE HB 4.500 . 4.500 3.842 3.639 3.999 . 0 0 "[ . 1 . 2]" 1
926 1 55 ARG HG2 1 59 ILE HB 3.500 . 3.500 2.372 2.234 2.636 . 0 0 "[ . 1 . 2]" 1
927 1 58 LYS HA 1 59 ILE MD 4.500 . 4.500 4.382 4.359 4.405 . 0 0 "[ . 1 . 2]" 1
928 1 58 LYS HD2 1 59 ILE MD 4.500 . 4.500 3.889 3.767 4.010 . 0 0 "[ . 1 . 2]" 1
929 1 59 ILE MD 1 62 ILE HB . . 3.500 3.529 3.487 3.553 0.053 18 0 "[ . 1 . 2]" 1
930 1 59 ILE MD 1 62 ILE HG13 4.500 . 4.500 3.898 3.865 3.957 . 0 0 "[ . 1 . 2]" 1
931 1 59 ILE MD 1 62 ILE HG12 4.500 . 4.500 4.142 4.075 4.189 . 0 0 "[ . 1 . 2]" 1
932 1 58 LYS HD3 1 59 ILE MD 4.500 . 4.500 3.710 3.660 3.743 . 0 0 "[ . 1 . 2]" 1
933 1 59 ILE HB 1 59 ILE MD 3.500 . 3.500 3.136 3.107 3.157 . 0 0 "[ . 1 . 2]" 1
934 1 3 LEU HB2 1 59 ILE MG 4.500 . 4.500 4.179 3.839 4.519 0.019 9 0 "[ . 1 . 2]" 1
935 1 54 GLY HA2 1 59 ILE MG . . 3.500 2.186 1.842 2.605 . 0 0 "[ . 1 . 2]" 1
936 1 58 LYS HD3 1 59 ILE MG 6.500 . 6.500 5.745 5.669 5.798 . 0 0 "[ . 1 . 2]" 1
937 1 58 LYS HD2 1 59 ILE MG 6.500 . 6.500 6.334 6.225 6.447 . 0 0 "[ . 1 . 2]" 1
938 1 55 ARG HG2 1 59 ILE MG 3.500 . 3.500 2.988 2.545 3.159 . 0 0 "[ . 1 . 2]" 1
939 1 54 GLY HA3 1 59 ILE H 6.500 . 6.500 4.016 3.806 4.350 . 0 0 "[ . 1 . 2]" 1
940 1 56 ASN HA 1 59 ILE H 5.500 . 5.500 4.986 4.823 5.129 . 0 0 "[ . 1 . 2]" 1
941 1 56 ASN HB3 1 59 ILE H 4.500 . 4.500 3.395 3.108 3.834 . 0 0 "[ . 1 . 2]" 1
942 1 58 LYS HA 1 59 ILE H 3.500 . 3.500 3.558 3.549 3.567 0.067 10 0 "[ . 1 . 2]" 1
943 1 58 LYS HB3 1 59 ILE H 4.500 . 4.500 2.283 2.234 2.326 . 0 0 "[ . 1 . 2]" 1
944 1 58 LYS HB2 1 59 ILE H 4.500 . 4.500 3.743 3.698 3.773 . 0 0 "[ . 1 . 2]" 1
945 1 58 LYS HE3 1 59 ILE H 6.000 . 6.000 5.158 5.097 5.195 . 0 0 "[ . 1 . 2]" 1
946 1 58 LYS HE2 1 59 ILE H 6.000 . 6.000 5.797 5.663 5.927 . 0 0 "[ . 1 . 2]" 1
947 1 58 LYS HG3 1 59 ILE H 4.500 . 4.500 3.058 2.904 3.189 . 0 0 "[ . 1 . 2]" 1
948 1 59 ILE H 1 59 ILE HB 3.500 . 3.500 2.545 2.492 2.618 . 0 0 "[ . 1 . 2]" 1
949 1 59 ILE H 1 59 ILE MD 3.500 . 3.500 2.282 2.221 2.309 . 0 0 "[ . 1 . 2]" 1
950 1 59 ILE H 1 59 ILE MG 4.500 . 4.500 3.765 3.758 3.776 . 0 0 "[ . 1 . 2]" 1
951 1 59 ILE H 1 60 ALA HA 6.000 . 6.000 5.293 5.260 5.310 . 0 0 "[ . 1 . 2]" 1
952 1 59 ILE H 1 61 GLY HA3 6.000 . 6.000 5.848 5.772 5.927 . 0 0 "[ . 1 . 2]" 1
953 1 59 ILE H 1 62 ILE H 4.500 . 4.500 4.484 4.421 4.548 0.048 14 0 "[ . 1 . 2]" 1
954 1 53 VAL HB 1 60 ALA HA 5.500 . 5.500 5.068 4.791 5.322 . 0 0 "[ . 1 . 2]" 1
955 1 54 GLY HA2 1 60 ALA HA 6.500 . 6.500 4.019 3.794 4.376 . 0 0 "[ . 1 . 2]" 1
956 1 59 ILE HG13 1 60 ALA HA 6.500 . 6.500 6.615 6.572 6.642 0.142 9 0 "[ . 1 . 2]" 1
957 1 59 ILE HG12 1 60 ALA HA 6.500 . 6.500 6.468 6.344 6.526 0.026 17 0 "[ . 1 . 2]" 1
958 1 38 ILE HA 1 60 ALA MB 3.500 . 3.500 2.615 2.371 2.833 . 0 0 "[ . 1 . 2]" 1
959 1 53 VAL HA 1 60 ALA MB 3.500 . 3.500 2.179 1.873 2.675 . 0 0 "[ . 1 . 2]" 1
960 1 59 ILE MG 1 60 ALA MB 5.500 . 5.500 4.166 3.993 4.310 . 0 0 "[ . 1 . 2]" 1
961 1 3 LEU MD1 1 60 ALA H 5.500 . 5.500 5.210 4.198 5.526 0.026 13 0 "[ . 1 . 2]" 1
962 1 37 SER HB3 1 60 ALA H 5.500 . 5.500 4.077 3.851 5.285 . 0 0 "[ . 1 . 2]" 1
963 1 37 SER HB2 1 60 ALA H 5.500 . 5.500 5.314 3.764 5.531 0.031 17 0 "[ . 1 . 2]" 1
964 1 39 VAL HB 1 60 ALA H 5.500 . 5.500 4.820 4.526 5.104 . 0 0 "[ . 1 . 2]" 1
965 1 39 VAL MG2 1 60 ALA H 4.500 . 4.500 3.882 3.513 4.193 . 0 0 "[ . 1 . 2]" 1
966 1 54 GLY H 1 60 ALA H 5.500 . 5.500 3.814 3.738 3.940 . 0 0 "[ . 1 . 2]" 1
967 1 56 ASN HA 1 60 ALA H 5.500 . 5.500 5.165 4.912 5.327 . 0 0 "[ . 1 . 2]" 1
968 1 58 LYS HA 1 60 ALA H 5.500 . 5.500 4.185 3.981 4.353 . 0 0 "[ . 1 . 2]" 1
969 1 58 LYS HB3 1 60 ALA H 5.500 . 5.500 4.619 4.512 4.691 . 0 0 "[ . 1 . 2]" 1
970 1 58 LYS HG3 1 60 ALA H 5.500 . 5.500 5.197 4.978 5.362 . 0 0 "[ . 1 . 2]" 1
971 1 58 LYS H 1 60 ALA H 6.000 . 6.000 3.625 3.478 4.064 . 0 0 "[ . 1 . 2]" 1
972 1 59 ILE HA 1 60 ALA H 3.500 . 3.500 3.494 3.462 3.515 0.015 3 0 "[ . 1 . 2]" 1
973 1 59 ILE HB 1 60 ALA H 3.500 . 3.500 2.754 2.533 2.917 . 0 0 "[ . 1 . 2]" 1
974 1 59 ILE MD 1 60 ALA H 4.500 . 4.500 4.151 4.111 4.171 . 0 0 "[ . 1 . 2]" 1
975 1 59 ILE MG 1 60 ALA H 4.500 . 4.500 3.527 3.366 3.715 . 0 0 "[ . 1 . 2]" 1
976 1 59 ILE H 1 60 ALA H 4.500 . 4.500 2.693 2.658 2.714 . 0 0 "[ . 1 . 2]" 1
977 1 60 ALA H 1 60 ALA MB 3.500 . 3.500 2.182 2.077 2.283 . 0 0 "[ . 1 . 2]" 1
978 1 60 ALA H 1 62 ILE HB 6.000 . 6.000 4.912 4.786 5.002 . 0 0 "[ . 1 . 2]" 1
979 1 60 ALA H 1 62 ILE MD 4.500 . 4.500 4.215 4.130 4.295 . 0 0 "[ . 1 . 2]" 1
980 1 60 ALA H 1 62 ILE H 4.500 . 4.500 3.912 3.840 4.114 . 0 0 "[ . 1 . 2]" 1
981 1 60 ALA H 1 63 ARG HB3 6.500 . 6.500 5.828 5.453 6.102 . 0 0 "[ . 1 . 2]" 1
982 1 60 ALA H 1 63 ARG HB2 6.000 . 6.000 4.969 4.857 5.048 . 0 0 "[ . 1 . 2]" 1
983 1 60 ALA H 1 64 ALA H 6.500 . 6.500 5.759 5.717 5.828 . 0 0 "[ . 1 . 2]" 1
984 1 39 VAL MG1 1 61 GLY HA3 4.500 . 4.500 2.999 2.604 3.381 . 0 0 "[ . 1 . 2]" 1
985 1 39 VAL MG2 1 61 GLY HA3 5.500 . 5.500 3.380 3.070 3.849 . 0 0 "[ . 1 . 2]" 1
986 1 39 VAL MG1 1 61 GLY HA2 3.500 . 3.500 2.100 1.826 2.548 . 0 0 "[ . 1 . 2]" 1
987 1 39 VAL MG2 1 61 GLY HA2 4.500 . 4.500 3.232 2.933 3.694 . 0 0 "[ . 1 . 2]" 1
988 1 39 VAL HB 1 61 GLY H 4.500 . 4.500 3.240 2.701 3.467 . 0 0 "[ . 1 . 2]" 1
989 1 39 VAL MG1 1 61 GLY H 4.500 . 4.500 3.553 3.103 3.918 . 0 0 "[ . 1 . 2]" 1
990 1 39 VAL MG2 1 61 GLY H 3.500 . 3.500 2.488 1.984 2.931 . 0 0 "[ . 1 . 2]" 1
991 1 58 LYS HA 1 61 GLY H 3.500 . 3.500 3.329 3.240 3.461 . 0 0 "[ . 1 . 2]" 1
992 1 60 ALA MB 1 61 GLY H 3.500 . 3.500 2.331 2.162 2.472 . 0 0 "[ . 1 . 2]" 1
993 1 61 GLY H 1 62 ILE HB 5.500 . 5.500 4.966 4.874 5.036 . 0 0 "[ . 1 . 2]" 1
994 1 61 GLY H 1 62 ILE HG13 5.500 . 5.500 4.729 4.598 4.871 . 0 0 "[ . 1 . 2]" 1
995 1 61 GLY H 1 62 ILE HG12 6.500 . 6.500 6.400 6.295 6.531 0.031 20 0 "[ . 1 . 2]" 1
996 1 61 GLY H 1 63 ARG HB2 5.500 . 5.500 5.491 5.335 5.540 0.040 19 0 "[ . 1 . 2]" 1
997 1 61 GLY H 1 64 ALA MB 4.500 . 4.500 4.466 4.364 4.521 0.021 18 0 "[ . 1 . 2]" 1
998 1 61 GLY H 1 64 ALA H 5.500 . 5.500 4.626 4.582 4.724 . 0 0 "[ . 1 . 2]" 1
999 1 61 GLY H 1 65 ALA MB 6.500 . 6.500 6.060 6.016 6.104 . 0 0 "[ . 1 . 2]" 1
1000 1 58 LYS HD3 1 62 ILE HA 4.500 . 4.500 4.197 4.122 4.281 . 0 0 "[ . 1 . 2]" 1
1001 1 58 LYS HD2 1 62 ILE HA 4.500 . 4.500 4.548 4.526 4.579 0.079 7 0 "[ . 1 . 2]" 1
1002 1 62 ILE HA 1 62 ILE HG13 3.500 . 3.500 2.602 2.558 2.644 . 0 0 "[ . 1 . 2]" 1
1003 1 62 ILE HA 1 62 ILE HG12 3.500 . 3.500 2.915 2.873 2.953 . 0 0 "[ . 1 . 2]" 1
1004 1 58 LYS HA 1 62 ILE MD 4.500 . 4.500 3.587 3.545 3.635 . 0 0 "[ . 1 . 2]" 1
1005 1 59 ILE HG13 1 62 ILE MD 4.500 . 4.500 4.020 3.926 4.095 . 0 0 "[ . 1 . 2]" 1
1006 1 59 ILE HG12 1 62 ILE MD 4.500 . 4.500 3.898 3.852 3.978 . 0 0 "[ . 1 . 2]" 1
1007 1 7 ALA MB 1 62 ILE HG13 4.500 . 4.500 4.059 3.833 4.337 . 0 0 "[ . 1 . 2]" 1
1008 1 58 LYS HA 1 62 ILE HG13 4.500 . 4.500 3.753 3.627 3.889 . 0 0 "[ . 1 . 2]" 1
1009 1 3 LEU MD1 1 62 ILE HG12 4.500 . 4.500 3.882 3.420 4.403 . 0 0 "[ . 1 . 2]" 1
1010 1 3 LEU HA 1 62 ILE MG 4.500 . 4.500 3.959 3.389 4.535 0.035 5 0 "[ . 1 . 2]" 1
1011 1 4 ASP HB2 1 62 ILE MG 3.500 . 3.500 2.980 2.731 3.521 0.021 20 0 "[ . 1 . 2]" 1
1012 1 5 MET HA 1 62 ILE MG 5.500 . 5.500 3.928 3.662 4.168 . 0 0 "[ . 1 . 2]" 1
1013 1 7 ALA MB 1 62 ILE MG 3.500 . 3.500 1.910 1.789 2.147 0.011 11 0 "[ . 1 . 2]" 1
1014 1 58 LYS HG2 1 62 ILE MG 6.500 . 6.500 5.936 5.877 6.009 . 0 0 "[ . 1 . 2]" 1
1015 1 62 ILE HG12 1 62 ILE MG 3.500 . 3.500 2.137 2.018 2.209 . 0 0 "[ . 1 . 2]" 1
1016 1 7 ALA MB 1 62 ILE H 6.000 . 6.000 4.456 4.266 4.657 . 0 0 "[ . 1 . 2]" 1
1017 1 58 LYS HA 1 62 ILE H 4.500 . 4.500 3.569 3.520 3.636 . 0 0 "[ . 1 . 2]" 1
1018 1 58 LYS HD3 1 62 ILE H 4.500 . 4.500 2.795 2.714 2.864 . 0 0 "[ . 1 . 2]" 1
1019 1 58 LYS HD2 1 62 ILE H 4.500 . 4.500 4.096 3.992 4.199 . 0 0 "[ . 1 . 2]" 1
1020 1 58 LYS HG3 1 62 ILE H 6.000 . 6.000 4.445 4.387 4.481 . 0 0 "[ . 1 . 2]" 1
1021 1 58 LYS HG2 1 62 ILE H 5.500 . 5.500 5.605 5.561 5.639 0.139 13 0 "[ . 1 . 2]" 1
1022 1 59 ILE HA 1 62 ILE H 3.500 . 3.500 3.426 3.366 3.464 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ALA MB 1 62 ILE H 5.500 . 5.500 4.456 4.397 4.511 . 0 0 "[ . 1 . 2]" 1
1024 1 61 GLY HA3 1 62 ILE H 3.500 . 3.500 2.749 2.654 2.779 . 0 0 "[ . 1 . 2]" 1
1025 1 61 GLY H 1 62 ILE H 3.500 . 3.500 2.815 2.775 2.939 . 0 0 "[ . 1 . 2]" 1
1026 1 62 ILE H 1 62 ILE HB 3.500 . 3.500 2.544 2.482 2.589 . 0 0 "[ . 1 . 2]" 1
1027 1 62 ILE H 1 62 ILE MD 3.500 . 3.500 2.957 2.912 3.003 . 0 0 "[ . 1 . 2]" 1
1028 1 62 ILE H 1 62 ILE HG12 4.500 . 4.500 3.734 3.661 3.808 . 0 0 "[ . 1 . 2]" 1
1029 1 62 ILE H 1 62 ILE MG 4.500 . 4.500 3.773 3.760 3.790 . 0 0 "[ . 1 . 2]" 1
1030 1 62 ILE H 1 63 ARG HA 5.500 . 5.500 5.410 5.358 5.511 0.011 20 0 "[ . 1 . 2]" 1
1031 1 59 ILE HB 1 63 ARG H 5.500 . 5.500 5.535 5.422 5.589 0.089 6 0 "[ . 1 . 2]" 1
1032 1 59 ILE H 1 63 ARG H 6.000 . 6.000 5.761 5.694 5.820 . 0 0 "[ . 1 . 2]" 1
1033 1 60 ALA H 1 63 ARG H 6.000 . 6.000 4.702 4.570 4.790 . 0 0 "[ . 1 . 2]" 1
1034 1 62 ILE H 1 63 ARG H 6.000 . 6.000 2.868 2.786 3.026 . 0 0 "[ . 1 . 2]" 1
1035 1 52 GLY HA3 1 64 ALA HA 5.500 . 5.500 2.737 2.539 2.913 . 0 0 "[ . 1 . 2]" 1
1036 1 64 ALA HA 1 65 ALA MB 5.500 . 5.500 5.020 5.001 5.032 . 0 0 "[ . 1 . 2]" 1
1037 1 24 TYR QD 1 64 ALA MB . . 3.500 3.257 2.854 3.538 0.038 6 0 "[ . 1 . 2]" 1
1038 1 50 GLY HA3 1 64 ALA MB 3.500 . 3.500 3.447 3.263 3.526 0.026 9 0 "[ . 1 . 2]" 1
1039 1 51 THR HA 1 64 ALA MB 3.500 . 3.500 2.277 1.835 2.514 . 0 0 "[ . 1 . 2]" 1
1040 1 52 GLY HA3 1 64 ALA MB 4.500 . 4.500 2.524 2.248 2.938 . 0 0 "[ . 1 . 2]" 1
1041 1 60 ALA MB 1 64 ALA MB 4.500 . 4.500 3.884 3.753 3.988 . 0 0 "[ . 1 . 2]" 1
1042 1 61 GLY HA2 1 64 ALA MB 3.500 . 3.500 2.577 2.436 2.727 . 0 0 "[ . 1 . 2]" 1
1043 1 64 ALA MB 1 68 ALA MB 5.500 . 5.500 4.208 3.919 4.499 . 0 0 "[ . 1 . 2]" 1
1044 1 39 VAL HB 1 64 ALA H 6.000 . 6.000 4.461 4.143 4.867 . 0 0 "[ . 1 . 2]" 1
1045 1 51 THR HA 1 64 ALA H 6.000 . 6.000 5.335 4.984 5.583 . 0 0 "[ . 1 . 2]" 1
1046 1 52 GLY HA3 1 64 ALA H 5.500 . 5.500 2.647 2.306 2.797 . 0 0 "[ . 1 . 2]" 1
1047 1 52 GLY HA2 1 64 ALA H 4.500 . 4.500 4.383 4.026 4.532 0.032 14 0 "[ . 1 . 2]" 1
1048 1 52 GLY H 1 64 ALA H 5.500 . 5.500 4.260 3.778 4.688 . 0 0 "[ . 1 . 2]" 1
1049 1 60 ALA HA 1 64 ALA H 4.500 . 4.500 3.977 3.871 4.046 . 0 0 "[ . 1 . 2]" 1
1050 1 60 ALA MB 1 64 ALA H 5.500 . 5.500 4.514 4.422 4.629 . 0 0 "[ . 1 . 2]" 1
1051 1 61 GLY HA2 1 64 ALA H 4.500 . 4.500 3.529 3.446 3.671 . 0 0 "[ . 1 . 2]" 1
1052 1 62 ILE H 1 64 ALA H 4.500 . 4.500 4.021 3.974 4.419 . 0 0 "[ . 1 . 2]" 1
1053 1 63 ARG HA 1 64 ALA H 3.500 . 3.500 3.535 3.525 3.572 0.072 20 0 "[ . 1 . 2]" 1
1054 1 64 ALA H 1 64 ALA MB 3.500 . 3.500 2.233 2.059 2.270 . 0 0 "[ . 1 . 2]" 1
1055 1 64 ALA H 1 66 GLU HB3 6.000 . 6.000 5.502 5.362 5.583 . 0 0 "[ . 1 . 2]" 1
1056 1 64 ALA H 1 66 GLU HB2 5.500 . 5.500 4.888 4.773 5.008 . 0 0 "[ . 1 . 2]" 1
1057 1 64 ALA H 1 66 GLU H 4.500 . 4.500 4.052 3.980 4.158 . 0 0 "[ . 1 . 2]" 1
1058 1 64 ALA H 1 67 ASN HB3 5.500 . 5.500 4.579 4.406 4.989 . 0 0 "[ . 1 . 2]" 1
1059 1 64 ALA H 1 67 ASN HB2 5.500 . 5.500 4.831 4.596 5.239 . 0 0 "[ . 1 . 2]" 1
1060 1 11 LEU MD1 1 65 ALA HA 3.500 . 3.500 3.550 3.501 3.588 0.088 13 0 "[ . 1 . 2]" 1
1061 1 65 ALA HA 1 68 ALA MB 4.500 . 4.500 3.131 2.785 3.379 . 0 0 "[ . 1 . 2]" 1
1062 1 24 TYR QD 1 65 ALA MB . . 3.500 3.551 3.496 3.601 0.101 4 0 "[ . 1 . 2]" 1
1063 1 62 ILE MG 1 65 ALA MB 4.500 . 4.500 4.101 3.902 4.240 . 0 0 "[ . 1 . 2]" 1
1064 1 65 ALA MB 1 66 GLU HB2 4.500 . 4.500 3.734 3.610 3.933 . 0 0 "[ . 1 . 2]" 1
1065 1 11 LEU MD1 1 65 ALA MB 3.500 . 3.500 3.210 2.986 3.465 . 0 0 "[ . 1 . 2]" 1
1066 1 24 TYR QE 1 65 ALA MB 3.500 . 3.500 1.881 1.773 2.012 0.027 3 0 "[ . 1 . 2]" 1
1067 1 65 ALA MB 1 68 ALA MB 5.500 . 5.500 4.323 4.032 4.522 . 0 0 "[ . 1 . 2]" 1
1068 1 7 ALA HA 1 65 ALA H 6.500 . 6.500 6.343 6.082 6.509 0.009 15 0 "[ . 1 . 2]" 1
1069 1 11 LEU MD1 1 65 ALA H 6.500 . 6.500 5.699 5.581 5.829 . 0 0 "[ . 1 . 2]" 1
1070 1 11 LEU MD2 1 65 ALA H 6.500 . 6.500 6.389 5.984 6.536 0.036 16 0 "[ . 1 . 2]" 1
1071 1 61 GLY HA2 1 65 ALA H 6.000 . 6.000 3.558 3.481 3.689 . 0 0 "[ . 1 . 2]" 1
1072 1 62 ILE MG 1 65 ALA H 5.500 . 5.500 5.128 4.967 5.225 . 0 0 "[ . 1 . 2]" 1
1073 1 64 ALA HA 1 65 ALA H 4.500 . 4.500 3.541 3.523 3.559 . 0 0 "[ . 1 . 2]" 1
1074 1 64 ALA H 1 65 ALA H 4.500 . 4.500 2.781 2.687 3.078 . 0 0 "[ . 1 . 2]" 1
1075 1 65 ALA H 1 65 ALA MB 3.500 . 3.500 2.111 2.077 2.157 . 0 0 "[ . 1 . 2]" 1
1076 1 65 ALA H 1 66 GLU HB3 5.500 . 5.500 5.599 5.514 5.645 0.145 16 0 "[ . 1 . 2]" 1
1077 1 65 ALA H 1 66 GLU H 6.000 . 6.000 2.882 2.860 2.904 . 0 0 "[ . 1 . 2]" 1
1078 1 65 ALA H 1 68 ALA MB 5.500 . 5.500 4.862 4.633 5.163 . 0 0 "[ . 1 . 2]" 1
1079 1 65 ALA H 1 69 LEU H 6.500 . 6.500 5.775 5.690 5.927 . 0 0 "[ . 1 . 2]" 1
1080 1 7 ALA MB 1 66 GLU HA 3.500 . 3.500 2.862 2.611 3.170 . 0 0 "[ . 1 . 2]" 1
1081 1 62 ILE MG 1 66 GLU HA 5.500 . 5.500 5.317 5.005 5.473 . 0 0 "[ . 1 . 2]" 1
1082 1 66 GLU HA 1 66 GLU HG3 3.500 . 3.500 3.296 2.743 3.471 . 0 0 "[ . 1 . 2]" 1
1083 1 66 GLU HA 1 66 GLU HG2 3.500 . 3.500 2.092 2.047 2.346 . 0 0 "[ . 1 . 2]" 1
1084 1 66 GLU HA 1 69 LEU HA 5.500 . 5.500 4.563 4.350 4.749 . 0 0 "[ . 1 . 2]" 1
1085 1 66 GLU HA 1 70 ARG HB3 6.500 . 6.500 6.488 5.399 6.626 0.126 4 0 "[ . 1 . 2]" 1
1086 1 66 GLU HA 1 70 ARG HB2 6.500 . 6.500 6.028 5.417 6.548 0.048 10 0 "[ . 1 . 2]" 1
1087 1 65 ALA HA 1 66 GLU HB3 6.500 . 6.500 6.206 6.086 6.273 . 0 0 "[ . 1 . 2]" 1
1088 1 3 LEU MD1 1 66 GLU HB2 5.500 . 5.500 4.611 4.146 5.510 0.010 13 0 "[ . 1 . 2]" 1
1089 1 4 ASP HB3 1 66 GLU HB2 5.500 . 5.500 5.088 4.803 5.458 . 0 0 "[ . 1 . 2]" 1
1090 1 4 ASP HB2 1 66 GLU HB2 4.500 . 4.500 3.599 3.353 4.029 . 0 0 "[ . 1 . 2]" 1
1091 1 7 ALA HA 1 66 GLU HB2 5.500 . 5.500 3.781 3.608 4.160 . 0 0 "[ . 1 . 2]" 1
1092 1 7 ALA MB 1 66 GLU HB2 3.500 . 3.500 1.903 1.780 2.265 0.020 1 0 "[ . 1 . 2]" 1
1093 1 62 ILE HA 1 66 GLU HB2 4.500 . 4.500 4.322 4.158 4.518 0.018 20 0 "[ . 1 . 2]" 1
1094 1 63 ARG HA 1 66 GLU HB2 3.500 . 3.500 3.156 2.632 3.319 . 0 0 "[ . 1 . 2]" 1
1095 1 65 ALA H 1 66 GLU HB2 4.500 . 4.500 4.633 4.598 4.668 0.168 2 0 "[ . 1 . 2]" 1
1096 1 66 GLU HB2 1 67 ASN HB3 5.500 . 5.500 5.493 5.291 5.615 0.115 7 0 "[ . 1 . 2]" 1
1097 1 66 GLU HB2 1 67 ASN HB2 5.500 . 5.500 5.368 5.184 5.525 0.025 16 0 "[ . 1 . 2]" 1
1098 1 7 ALA MB 1 66 GLU H 3.500 . 3.500 1.901 1.811 2.341 . 0 0 "[ . 1 . 2]" 1
1099 1 62 ILE HA 1 66 GLU H 4.500 . 4.500 3.938 3.835 4.038 . 0 0 "[ . 1 . 2]" 1
1100 1 63 ARG HA 1 66 GLU H 4.500 . 4.500 3.993 3.708 4.090 . 0 0 "[ . 1 . 2]" 1
1101 1 65 ALA MB 1 66 GLU H 3.500 . 3.500 2.405 2.300 2.519 . 0 0 "[ . 1 . 2]" 1
1102 1 66 GLU H 1 66 GLU HB3 3.500 . 3.500 3.065 3.020 3.101 . 0 0 "[ . 1 . 2]" 1
1103 1 66 GLU H 1 66 GLU HB2 3.500 . 3.500 1.985 1.964 2.028 . 0 0 "[ . 1 . 2]" 1
1104 1 66 GLU H 1 66 GLU HG3 4.500 . 4.500 3.980 3.821 4.126 . 0 0 "[ . 1 . 2]" 1
1105 1 66 GLU H 1 67 ASN HA 6.000 . 6.000 5.238 5.125 5.366 . 0 0 "[ . 1 . 2]" 1
1106 1 66 GLU H 1 67 ASN HB3 5.500 . 5.500 4.625 4.519 4.753 . 0 0 "[ . 1 . 2]" 1
1107 1 66 GLU H 1 67 ASN HB2 5.500 . 5.500 5.125 4.985 5.265 . 0 0 "[ . 1 . 2]" 1
1108 1 66 GLU H 1 67 ASN H 6.000 . 6.000 2.620 2.490 2.795 . 0 0 "[ . 1 . 2]" 1
1109 1 67 ASN HA 1 70 ARG HB3 4.500 . 4.500 4.514 4.408 4.563 0.063 11 0 "[ . 1 . 2]" 1
1110 1 67 ASN HA 1 70 ARG HB2 4.500 . 4.500 3.397 2.919 4.429 . 0 0 "[ . 1 . 2]" 1
1111 1 67 ASN HA 1 70 ARG HD3 3.500 . 3.500 2.539 1.793 3.356 0.007 12 0 "[ . 1 . 2]" 1
1112 1 67 ASN HA 1 70 ARG HD2 4.500 . 4.500 3.718 3.058 4.380 . 0 0 "[ . 1 . 2]" 1
1113 1 7 ALA MB 1 67 ASN H 5.500 . 5.500 4.020 3.926 4.493 . 0 0 "[ . 1 . 2]" 1
1114 1 11 LEU MD2 1 67 ASN H 6.500 . 6.500 6.184 5.458 6.409 . 0 0 "[ . 1 . 2]" 1
1115 1 51 THR H 1 67 ASN H 5.500 . 5.500 4.834 4.375 5.434 . 0 0 "[ . 1 . 2]" 1
1116 1 64 ALA HA 1 67 ASN H 4.500 . 4.500 3.241 2.981 3.518 . 0 0 "[ . 1 . 2]" 1
1117 1 65 ALA MB 1 67 ASN H 4.500 . 4.500 4.426 4.176 4.623 0.123 20 0 "[ . 1 . 2]" 1
1118 1 66 GLU HB3 1 67 ASN H 3.500 . 3.500 2.458 2.168 2.993 . 0 0 "[ . 1 . 2]" 1
1119 1 66 GLU HB2 1 67 ASN H 3.500 . 3.500 3.049 2.907 3.293 . 0 0 "[ . 1 . 2]" 1
1120 1 66 GLU HG3 1 67 ASN H 5.500 . 5.500 4.909 4.715 5.250 . 0 0 "[ . 1 . 2]" 1
1121 1 66 GLU HG2 1 67 ASN H 5.500 . 5.500 4.667 4.302 4.944 . 0 0 "[ . 1 . 2]" 1
1122 1 67 ASN H 1 67 ASN HB3 3.500 . 3.500 2.514 2.359 2.663 . 0 0 "[ . 1 . 2]" 1
1123 1 67 ASN H 1 68 ALA HA 5.500 . 5.500 5.499 5.334 5.554 0.054 15 0 "[ . 1 . 2]" 1
1124 1 67 ASN H 1 68 ALA MB 4.500 . 4.500 4.509 4.357 4.569 0.069 10 0 "[ . 1 . 2]" 1
1125 1 67 ASN H 1 69 LEU HB2 6.000 . 6.000 5.155 4.296 5.980 . 0 0 "[ . 1 . 2]" 1
1126 1 67 ASN H 1 69 LEU MD1 6.500 . 6.500 5.331 5.066 5.563 . 0 0 "[ . 1 . 2]" 1
1127 1 67 ASN H 1 69 LEU MD2 6.500 . 6.500 5.357 4.352 6.070 . 0 0 "[ . 1 . 2]" 1
1128 1 67 ASN H 1 70 ARG H 6.000 . 6.000 4.433 4.354 4.471 . 0 0 "[ . 1 . 2]" 1
1129 1 49 LEU HA 1 68 ALA HA 5.500 . 5.500 5.244 4.728 5.521 0.021 6 0 "[ . 1 . 2]" 1
1130 1 11 LEU MD1 1 68 ALA MB 5.500 . 5.500 3.730 3.320 4.147 . 0 0 "[ . 1 . 2]" 1
1131 1 41 CYS HB3 1 68 ALA MB 4.500 . 4.500 3.716 3.270 3.947 . 0 0 "[ . 1 . 2]" 1
1132 1 41 CYS HB2 1 68 ALA MB 4.500 . 4.500 2.987 2.606 3.227 . 0 0 "[ . 1 . 2]" 1
1133 1 49 LEU HA 1 68 ALA MB 4.500 . 4.500 3.810 3.685 3.905 . 0 0 "[ . 1 . 2]" 1
1134 1 50 GLY HA3 1 68 ALA MB 3.500 . 3.500 1.828 1.716 1.989 0.084 5 0 "[ . 1 . 2]" 1
1135 1 68 ALA MB 1 70 ARG HG3 6.500 . 6.500 6.525 6.445 6.583 0.083 11 0 "[ . 1 . 2]" 1
1136 1 11 LEU MD1 1 68 ALA H 6.500 . 6.500 5.841 5.568 6.125 . 0 0 "[ . 1 . 2]" 1
1137 1 11 LEU MD2 1 68 ALA H 6.500 . 6.500 4.809 4.142 5.093 . 0 0 "[ . 1 . 2]" 1
1138 1 50 GLY HA2 1 68 ALA H 4.500 . 4.500 3.370 3.066 3.685 . 0 0 "[ . 1 . 2]" 1
1139 1 64 ALA HA 1 68 ALA H 4.500 . 4.500 3.719 3.562 4.035 . 0 0 "[ . 1 . 2]" 1
1140 1 65 ALA MB 1 68 ALA H 5.500 . 5.500 4.856 4.716 4.916 . 0 0 "[ . 1 . 2]" 1
1141 1 65 ALA H 1 68 ALA H 5.500 . 5.500 4.781 4.656 4.913 . 0 0 "[ . 1 . 2]" 1
1142 1 66 GLU HA 1 68 ALA H 5.500 . 5.500 4.621 4.532 4.676 . 0 0 "[ . 1 . 2]" 1
1143 1 66 GLU HB3 1 68 ALA H 5.500 . 5.500 5.114 4.936 5.419 . 0 0 "[ . 1 . 2]" 1
1144 1 66 GLU H 1 68 ALA H 4.500 . 4.500 4.357 4.254 4.499 . 0 0 "[ . 1 . 2]" 1
1145 1 67 ASN HA 1 68 ALA H 3.500 . 3.500 3.547 3.540 3.555 0.055 3 0 "[ . 1 . 2]" 1
1146 1 67 ASN HB3 1 68 ALA H 3.500 . 3.500 2.332 2.280 2.391 . 0 0 "[ . 1 . 2]" 1
1147 1 67 ASN HB2 1 68 ALA H 4.500 . 4.500 3.764 3.705 3.810 . 0 0 "[ . 1 . 2]" 1
1148 1 67 ASN H 1 68 ALA H 3.500 . 3.500 2.962 2.767 3.031 . 0 0 "[ . 1 . 2]" 1
1149 1 68 ALA H 1 68 ALA MB 3.500 . 3.500 2.114 2.033 2.229 . 0 0 "[ . 1 . 2]" 1
1150 1 68 ALA H 1 69 LEU HA 5.500 . 5.500 5.132 5.100 5.188 . 0 0 "[ . 1 . 2]" 1
1151 1 68 ALA H 1 69 LEU HB3 5.500 . 5.500 4.591 4.193 5.029 . 0 0 "[ . 1 . 2]" 1
1152 1 68 ALA H 1 69 LEU HB2 6.000 . 6.000 4.762 4.292 5.385 . 0 0 "[ . 1 . 2]" 1
1153 1 68 ALA H 1 69 LEU MD1 6.500 . 6.500 5.755 5.520 6.027 . 0 0 "[ . 1 . 2]" 1
1154 1 68 ALA H 1 69 LEU MD2 6.500 . 6.500 5.738 5.010 6.294 . 0 0 "[ . 1 . 2]" 1
1155 1 68 ALA H 1 69 LEU H 3.500 . 3.500 2.496 2.450 2.555 . 0 0 "[ . 1 . 2]" 1
1156 1 68 ALA H 1 70 ARG H 4.500 . 4.500 4.119 3.983 4.356 . 0 0 "[ . 1 . 2]" 1
1157 1 68 ALA H 1 71 ASP H 5.500 . 5.500 5.178 5.003 5.402 . 0 0 "[ . 1 . 2]" 1
1158 1 11 LEU MD1 1 69 LEU HA 5.500 . 5.500 4.898 4.407 5.531 0.031 16 0 "[ . 1 . 2]" 1
1159 1 69 LEU HA 1 69 LEU MD1 4.500 . 4.500 3.687 3.388 3.953 . 0 0 "[ . 1 . 2]" 1
1160 1 69 LEU HA 1 70 ARG HA 5.500 . 5.500 4.818 4.773 4.853 . 0 0 "[ . 1 . 2]" 1
1161 1 10 GLN HG2 1 69 LEU MD1 3.500 . 3.500 1.744 1.700 1.809 0.100 5 0 "[ . 1 . 2]" 1
1162 1 11 LEU HA 1 69 LEU MD1 . . 3.500 2.569 2.117 3.385 . 0 0 "[ . 1 . 2]" 1
1163 1 14 LEU QB 1 69 LEU MD1 4.500 . 4.500 3.392 2.985 4.100 . 0 0 "[ . 1 . 2]" 1
1164 1 7 ALA MB 1 69 LEU MD1 3.500 . 3.500 3.354 3.025 3.581 0.081 6 0 "[ . 1 . 2]" 1
1165 1 14 LEU HG 1 69 LEU MD1 6.500 . 6.500 4.430 3.916 5.157 . 0 0 "[ . 1 . 2]" 1
1166 1 66 GLU HA 1 69 LEU MD1 3.500 . 3.500 2.413 1.888 2.651 . 0 0 "[ . 1 . 2]" 1
1167 1 66 GLU HB2 1 69 LEU MD1 5.500 . 5.500 4.303 3.858 4.573 . 0 0 "[ . 1 . 2]" 1
1168 1 10 GLN HG3 1 69 LEU MD2 4.500 . 4.500 3.719 3.022 4.586 0.086 17 0 "[ . 1 . 2]" 1
1169 1 10 GLN HG2 1 69 LEU MD2 4.500 . 4.500 2.420 1.803 3.817 . 0 0 "[ . 1 . 2]" 1
1170 1 14 LEU QB 1 69 LEU MD2 6.500 . 6.500 4.248 3.655 5.394 . 0 0 "[ . 1 . 2]" 1
1171 1 69 LEU MD2 1 70 ARG HG3 4.500 . 4.500 3.795 3.018 4.564 0.064 2 0 "[ . 1 . 2]" 1
1172 1 69 LEU MD2 1 70 ARG HG2 4.500 . 4.500 3.902 2.922 4.540 0.040 18 0 "[ . 1 . 2]" 1
1173 1 65 ALA MB 1 69 LEU H 4.500 . 4.500 4.593 4.527 4.660 0.160 17 0 "[ . 1 . 2]" 1
1174 1 66 GLU HA 1 69 LEU H 4.500 . 4.500 3.189 3.065 3.285 . 0 0 "[ . 1 . 2]" 1
1175 1 66 GLU HG3 1 69 LEU H 6.500 . 6.500 6.382 5.867 6.552 0.052 16 0 "[ . 1 . 2]" 1
1176 1 66 GLU HG2 1 69 LEU H 6.000 . 6.000 5.129 4.912 5.261 . 0 0 "[ . 1 . 2]" 1
1177 1 67 ASN HA 1 69 LEU H 4.500 . 4.500 4.313 4.044 4.477 . 0 0 "[ . 1 . 2]" 1
1178 1 67 ASN HB3 1 69 LEU H 4.500 . 4.500 4.546 4.469 4.586 0.086 4 0 "[ . 1 . 2]" 1
1179 1 67 ASN H 1 69 LEU H 4.500 . 4.500 3.812 3.640 3.889 . 0 0 "[ . 1 . 2]" 1
1180 1 68 ALA HA 1 69 LEU H 3.500 . 3.500 3.486 3.435 3.526 0.026 16 0 "[ . 1 . 2]" 1
1181 1 68 ALA MB 1 69 LEU H 3.500 . 3.500 2.638 2.434 2.793 . 0 0 "[ . 1 . 2]" 1
1182 1 69 LEU H 1 69 LEU HB3 3.500 . 3.500 2.451 2.004 2.885 . 0 0 "[ . 1 . 2]" 1
1183 1 69 LEU H 1 69 LEU HB2 3.500 . 3.500 2.481 2.054 3.045 . 0 0 "[ . 1 . 2]" 1
1184 1 69 LEU H 1 69 LEU MD1 4.500 . 4.500 3.961 3.704 4.191 . 0 0 "[ . 1 . 2]" 1
1185 1 69 LEU H 1 69 LEU MD2 4.500 . 4.500 3.896 3.203 4.333 . 0 0 "[ . 1 . 2]" 1
1186 1 69 LEU H 1 70 ARG HA 5.500 . 5.500 5.280 5.031 5.421 . 0 0 "[ . 1 . 2]" 1
1187 1 69 LEU H 1 71 ASP HB2 6.500 . 6.500 5.257 4.930 5.698 . 0 0 "[ . 1 . 2]" 1
1188 1 69 LEU H 1 71 ASP H 4.500 . 4.500 4.089 3.920 4.382 . 0 0 "[ . 1 . 2]" 1
1189 1 70 ARG HA 1 70 ARG HD3 5.500 . 5.500 4.095 3.616 4.960 . 0 0 "[ . 1 . 2]" 1
1190 1 70 ARG HA 1 70 ARG HD2 5.500 . 5.500 3.370 2.037 4.722 . 0 0 "[ . 1 . 2]" 1
1191 1 69 LEU HB3 1 70 ARG HD3 4.500 . 4.500 4.068 3.267 4.553 0.053 3 0 "[ . 1 . 2]" 1
1192 1 69 LEU HB3 1 70 ARG HD2 4.500 . 4.500 3.948 2.687 4.548 0.048 11 0 "[ . 1 . 2]" 1
1193 1 66 GLU HG3 1 70 ARG H 6.500 . 6.500 6.194 5.928 6.477 . 0 0 "[ . 1 . 2]" 1
1194 1 67 ASN HA 1 70 ARG H 3.500 . 3.500 3.452 3.315 3.561 0.061 11 0 "[ . 1 . 2]" 1
1195 1 67 ASN HB3 1 70 ARG H 5.500 . 5.500 5.378 5.275 5.539 0.039 10 0 "[ . 1 . 2]" 1
1196 1 67 ASN HB2 1 70 ARG H 5.500 . 5.500 5.592 5.489 5.663 0.163 14 0 "[ . 1 . 2]" 1
1197 1 69 LEU HA 1 70 ARG H 3.500 . 3.500 3.527 3.495 3.567 0.067 10 0 "[ . 1 . 2]" 1
1198 1 69 LEU HB2 1 70 ARG H 4.500 . 4.500 3.799 3.334 4.288 . 0 0 "[ . 1 . 2]" 1
1199 1 69 LEU MD1 1 70 ARG H 4.500 . 4.500 4.514 4.165 4.598 0.098 8 0 "[ . 1 . 2]" 1
1200 1 69 LEU MD2 1 70 ARG H 3.500 . 3.500 2.888 1.874 3.504 0.004 18 0 "[ . 1 . 2]" 1
1201 1 69 LEU H 1 70 ARG H 3.500 . 3.500 2.703 2.430 2.859 . 0 0 "[ . 1 . 2]" 1
1202 1 70 ARG H 1 70 ARG HB3 3.500 . 3.500 3.513 3.085 3.557 0.057 20 0 "[ . 1 . 2]" 1
1203 1 70 ARG H 1 70 ARG HD3 4.500 . 4.500 3.033 2.750 3.281 . 0 0 "[ . 1 . 2]" 1
1204 1 70 ARG H 1 70 ARG HG3 3.500 . 3.500 2.969 2.370 3.436 . 0 0 "[ . 1 . 2]" 1
1205 1 70 ARG H 1 71 ASP HA 6.000 . 6.000 5.286 5.241 5.336 . 0 0 "[ . 1 . 2]" 1
1206 1 70 ARG H 1 71 ASP HB2 5.500 . 5.500 4.777 4.598 5.042 . 0 0 "[ . 1 . 2]" 1
1207 1 70 ARG H 1 75 LEU MD1 5.500 . 5.500 4.676 4.359 5.582 0.082 10 0 "[ . 1 . 2]" 1
1208 1 67 ASN HA 1 71 ASP H 5.500 . 5.500 5.040 4.237 5.421 . 0 0 "[ . 1 . 2]" 1
1209 1 68 ALA HA 1 71 ASP H 4.500 . 4.500 3.715 3.538 4.006 . 0 0 "[ . 1 . 2]" 1
1210 1 68 ALA MB 1 71 ASP H 5.500 . 5.500 4.567 4.342 5.054 . 0 0 "[ . 1 . 2]" 1
1211 1 69 LEU HA 1 71 ASP H 4.500 . 4.500 3.848 3.580 4.504 0.004 20 0 "[ . 1 . 2]" 1
1212 1 69 LEU MD1 1 71 ASP H 6.500 . 6.500 6.120 5.967 6.481 . 0 0 "[ . 1 . 2]" 1
1213 1 70 ARG HA 1 71 ASP H 3.500 . 3.500 3.431 3.357 3.540 0.040 20 0 "[ . 1 . 2]" 1
1214 1 70 ARG HG3 1 71 ASP H 5.500 . 5.500 4.697 3.681 5.099 . 0 0 "[ . 1 . 2]" 1
1215 1 70 ARG HG2 1 71 ASP H 5.500 . 5.500 4.444 2.474 5.535 0.035 12 0 "[ . 1 . 2]" 1
1216 1 70 ARG H 1 71 ASP H 3.500 . 3.500 2.698 2.634 2.800 . 0 0 "[ . 1 . 2]" 1
1217 1 71 ASP H 1 71 ASP HB3 3.500 . 3.500 3.555 3.506 3.617 0.117 14 0 "[ . 1 . 2]" 1
1218 1 71 ASP H 1 71 ASP HB2 3.500 . 3.500 2.373 2.241 2.632 . 0 0 "[ . 1 . 2]" 1
1219 1 71 ASP H 1 75 LEU MD1 6.500 . 6.500 3.897 3.226 5.543 . 0 0 "[ . 1 . 2]" 1
1220 1 72 LYS HA 1 72 LYS HE3 4.500 . 4.500 2.558 1.977 3.226 . 0 0 "[ . 1 . 2]" 1
1221 1 72 LYS HA 1 72 LYS HE2 4.500 . 4.500 3.593 2.743 4.499 . 0 0 "[ . 1 . 2]" 1
1222 1 72 LYS HG3 1 73 LYS HA 4.500 . 4.500 4.396 3.619 4.564 0.064 17 0 "[ . 1 . 2]" 1
1223 1 72 LYS HG3 1 75 LEU MD2 5.500 . 5.500 3.645 2.684 5.292 . 0 0 "[ . 1 . 2]" 1
1224 1 72 LYS HG2 1 73 LYS HA 4.500 . 4.500 4.405 3.632 4.530 0.030 7 0 "[ . 1 . 2]" 1
1225 1 72 LYS HG2 1 75 LEU MD2 4.500 . 4.500 4.536 4.243 4.587 0.087 17 0 "[ . 1 . 2]" 1
1226 1 70 ARG HA 1 72 LYS H 5.500 . 5.500 5.281 5.060 5.375 . 0 0 "[ . 1 . 2]" 1
1227 1 71 ASP HA 1 72 LYS H 3.500 . 3.500 2.136 2.105 2.166 . 0 0 "[ . 1 . 2]" 1
1228 1 71 ASP HB3 1 72 LYS H 4.500 . 4.500 3.706 3.634 3.820 . 0 0 "[ . 1 . 2]" 1
1229 1 71 ASP HB2 1 72 LYS H 4.500 . 4.500 4.443 4.276 4.536 0.036 11 0 "[ . 1 . 2]" 1
1230 1 71 ASP H 1 72 LYS H 6.000 . 6.000 4.297 4.215 4.376 . 0 0 "[ . 1 . 2]" 1
1231 1 72 LYS H 1 72 LYS HB3 3.500 . 3.500 2.741 2.365 2.961 . 0 0 "[ . 1 . 2]" 1
1232 1 72 LYS H 1 72 LYS HE3 6.000 . 6.000 3.590 1.863 5.309 . 0 0 "[ . 1 . 2]" 1
1233 1 72 LYS H 1 72 LYS HE2 6.000 . 6.000 5.044 3.561 5.902 . 0 0 "[ . 1 . 2]" 1
1234 1 72 LYS H 1 72 LYS HG3 4.500 . 4.500 4.167 3.407 4.431 . 0 0 "[ . 1 . 2]" 1
1235 1 72 LYS H 1 73 LYS H 3.500 . 3.500 2.726 2.584 2.954 . 0 0 "[ . 1 . 2]" 1
1236 1 73 LYS HA 1 76 ASP HB3 3.500 . 3.500 3.540 3.519 3.591 0.091 11 0 "[ . 1 . 2]" 1
1237 1 73 LYS HA 1 76 ASP HB2 3.500 . 3.500 3.429 3.321 3.523 0.023 19 0 "[ . 1 . 2]" 1
1238 1 71 ASP HA 1 73 LYS H 4.500 . 4.500 4.150 3.648 4.365 . 0 0 "[ . 1 . 2]" 1
1239 1 71 ASP HB3 1 73 LYS H 6.000 . 6.000 4.220 3.445 4.580 . 0 0 "[ . 1 . 2]" 1
1240 1 72 LYS HA 1 73 LYS H 3.500 . 3.500 3.540 3.485 3.558 0.058 6 0 "[ . 1 . 2]" 1
1241 1 73 LYS H 1 73 LYS HB3 3.500 . 3.500 3.525 3.164 3.616 0.116 12 0 "[ . 1 . 2]" 1
1242 1 73 LYS H 1 74 MET HA 6.000 . 6.000 5.610 5.556 5.642 . 0 0 "[ . 1 . 2]" 1
1243 1 73 LYS H 1 74 MET HB3 6.500 . 6.500 6.232 5.193 6.520 0.020 12 0 "[ . 1 . 2]" 1
1244 1 73 LYS H 1 74 MET HB2 6.500 . 6.500 6.383 5.987 6.656 0.156 17 0 "[ . 1 . 2]" 1
1245 1 73 LYS H 1 75 LEU MD1 6.500 . 6.500 5.775 5.483 6.401 . 0 0 "[ . 1 . 2]" 1
1246 1 73 LYS H 1 75 LEU MD2 6.500 . 6.500 5.248 4.421 5.899 . 0 0 "[ . 1 . 2]" 1
1247 1 73 LYS HB3 1 74 MET HB3 5.500 . 5.500 4.902 3.935 5.448 . 0 0 "[ . 1 . 2]" 1
1248 1 73 LYS HB2 1 74 MET HB3 5.500 . 5.500 5.396 4.903 5.542 0.042 10 0 "[ . 1 . 2]" 1
1249 1 71 ASP HA 1 74 MET H 5.500 . 5.500 4.599 4.452 4.743 . 0 0 "[ . 1 . 2]" 1
1250 1 71 ASP HB3 1 74 MET H 3.500 . 3.500 2.897 2.586 3.278 . 0 0 "[ . 1 . 2]" 1
1251 1 71 ASP HB2 1 74 MET H 4.500 . 4.500 4.018 3.613 4.385 . 0 0 "[ . 1 . 2]" 1
1252 1 72 LYS HA 1 74 MET H 4.500 . 4.500 4.435 4.216 4.550 0.050 10 0 "[ . 1 . 2]" 1
1253 1 72 LYS H 1 74 MET H 6.000 . 6.000 4.350 4.225 4.462 . 0 0 "[ . 1 . 2]" 1
1254 1 73 LYS HA 1 74 MET H 3.500 . 3.500 3.566 3.549 3.580 0.080 7 0 "[ . 1 . 2]" 1
1255 1 73 LYS HB3 1 74 MET H 3.500 . 3.500 2.903 2.464 3.197 . 0 0 "[ . 1 . 2]" 1
1256 1 73 LYS HB2 1 74 MET H 3.500 . 3.500 2.772 2.509 3.385 . 0 0 "[ . 1 . 2]" 1
1257 1 73 LYS H 1 74 MET H 3.500 . 3.500 3.133 3.029 3.183 . 0 0 "[ . 1 . 2]" 1
1258 1 74 MET H 1 74 MET HB3 3.500 . 3.500 3.118 2.216 3.462 . 0 0 "[ . 1 . 2]" 1
1259 1 74 MET H 1 74 MET HB2 3.500 . 3.500 3.430 3.186 3.591 0.091 17 0 "[ . 1 . 2]" 1
1260 1 74 MET H 1 75 LEU HA 6.000 . 6.000 5.259 5.189 5.316 . 0 0 "[ . 1 . 2]" 1
1261 1 74 MET H 1 76 ASP HB2 5.500 . 5.500 5.572 5.518 5.603 0.103 19 0 "[ . 1 . 2]" 1
1262 1 14 LEU QB 1 75 LEU HA 5.500 . 5.500 3.971 3.681 4.234 . 0 0 "[ . 1 . 2]" 1
1263 1 15 ILE MG 1 75 LEU HA 4.500 . 4.500 3.879 3.792 3.983 . 0 0 "[ . 1 . 2]" 1
1264 1 75 LEU HA 1 75 LEU MD1 4.500 . 4.500 2.115 1.878 3.429 . 0 0 "[ . 1 . 2]" 1
1265 1 75 LEU HA 1 75 LEU MD2 4.500 . 4.500 3.779 3.701 3.798 . 0 0 "[ . 1 . 2]" 1
1266 1 15 ILE QG 1 75 LEU HB3 4.500 . 4.500 3.906 3.512 4.132 . 0 0 "[ . 1 . 2]" 1
1267 1 72 LYS HB3 1 75 LEU HB3 5.500 . 5.500 5.356 4.857 5.564 0.064 15 0 "[ . 1 . 2]" 1
1268 1 72 LYS HB2 1 75 LEU HB3 5.500 . 5.500 5.181 4.364 5.457 . 0 0 "[ . 1 . 2]" 1
1269 1 75 LEU HB3 1 75 LEU MD2 3.500 . 3.500 2.379 1.951 2.757 . 0 0 "[ . 1 . 2]" 1
1270 1 15 ILE QG 1 75 LEU HB2 5.500 . 5.500 4.039 2.915 4.422 . 0 0 "[ . 1 . 2]" 1
1271 1 72 LYS HB3 1 75 LEU HB2 6.500 . 6.500 4.585 3.988 6.209 . 0 0 "[ . 1 . 2]" 1
1272 1 72 LYS HB2 1 75 LEU HB2 6.500 . 6.500 4.354 3.581 5.558 . 0 0 "[ . 1 . 2]" 1
1273 1 75 LEU HB2 1 75 LEU MD2 3.500 . 3.500 2.292 2.080 3.056 . 0 0 "[ . 1 . 2]" 1
1274 1 15 ILE H 1 75 LEU MD1 4.500 . 4.500 3.487 3.054 3.912 . 0 0 "[ . 1 . 2]" 1
1275 1 15 ILE MD 1 75 LEU H 6.000 . 6.000 3.239 2.827 3.507 . 0 0 "[ . 1 . 2]" 1
1276 1 71 ASP HB3 1 75 LEU H 5.500 . 5.500 4.167 3.679 4.703 . 0 0 "[ . 1 . 2]" 1
1277 1 72 LYS HA 1 75 LEU H 3.500 . 3.500 3.178 3.018 3.315 . 0 0 "[ . 1 . 2]" 1
1278 1 72 LYS HB3 1 75 LEU H 5.500 . 5.500 5.257 5.131 5.505 0.005 8 0 "[ . 1 . 2]" 1
1279 1 72 LYS HB2 1 75 LEU H 5.500 . 5.500 5.370 4.779 5.512 0.012 10 0 "[ . 1 . 2]" 1
1280 1 72 LYS HE3 1 75 LEU H 6.000 . 6.000 5.486 4.837 5.963 . 0 0 "[ . 1 . 2]" 1
1281 1 72 LYS H 1 75 LEU H 5.500 . 5.500 4.645 4.518 4.841 . 0 0 "[ . 1 . 2]" 1
1282 1 74 MET HA 1 75 LEU H 5.500 . 5.500 3.546 3.532 3.578 . 0 0 "[ . 1 . 2]" 1
1283 1 74 MET HB3 1 75 LEU H 4.500 . 4.500 4.007 3.461 4.141 . 0 0 "[ . 1 . 2]" 1
1284 1 74 MET H 1 75 LEU H 3.500 . 3.500 2.648 2.567 2.732 . 0 0 "[ . 1 . 2]" 1
1285 1 75 LEU H 1 75 LEU HB3 3.500 . 3.500 3.301 2.277 3.550 0.050 11 0 "[ . 1 . 2]" 1
1286 1 75 LEU H 1 75 LEU MD1 4.500 . 4.500 2.664 2.019 4.245 . 0 0 "[ . 1 . 2]" 1
1287 1 75 LEU H 1 75 LEU MD2 4.500 . 4.500 3.713 2.867 4.315 . 0 0 "[ . 1 . 2]" 1
1288 1 75 LEU H 1 76 ASP HB2 6.000 . 6.000 4.769 4.593 4.857 . 0 0 "[ . 1 . 2]" 1
1289 1 75 LEU H 1 79 ALA H 6.000 . 6.000 5.947 5.854 6.030 0.030 12 0 "[ . 1 . 2]" 1
1290 1 76 ASP HB3 1 77 PHE HB3 5.500 . 5.500 5.385 5.115 5.506 0.006 9 0 "[ . 1 . 2]" 1
1291 1 76 ASP HB3 1 77 PHE HB2 4.500 . 4.500 4.517 4.469 4.555 0.055 10 0 "[ . 1 . 2]" 1
1292 1 15 ILE MG 1 76 ASP H 6.500 . 6.500 6.584 6.538 6.639 0.139 14 0 "[ . 1 . 2]" 1
1293 1 72 LYS HA 1 76 ASP H 3.500 . 3.500 3.571 3.381 3.628 0.128 19 0 "[ . 1 . 2]" 1
1294 1 74 MET HB3 1 76 ASP H 6.500 . 6.500 6.301 5.974 6.491 . 0 0 "[ . 1 . 2]" 1
1295 1 74 MET HB2 1 76 ASP H 6.500 . 6.500 5.626 5.355 6.210 . 0 0 "[ . 1 . 2]" 1
1296 1 75 LEU MD1 1 76 ASP H 5.500 . 5.500 4.246 4.065 4.515 . 0 0 "[ . 1 . 2]" 1
1297 1 75 LEU MD2 1 76 ASP H 5.500 . 5.500 3.868 2.050 4.144 . 0 0 "[ . 1 . 2]" 1
1298 1 76 ASP H 1 76 ASP HB3 3.500 . 3.500 3.103 3.043 3.140 . 0 0 "[ . 1 . 2]" 1
1299 1 76 ASP H 1 76 ASP HB2 3.500 . 3.500 2.039 2.007 2.066 . 0 0 "[ . 1 . 2]" 1
1300 1 76 ASP H 1 77 PHE HB3 5.500 . 5.500 4.943 4.711 5.063 . 0 0 "[ . 1 . 2]" 1
1301 1 76 ASP H 1 77 PHE HB2 6.500 . 6.500 4.948 4.762 5.252 . 0 0 "[ . 1 . 2]" 1
1302 1 76 ASP H 1 77 PHE H 3.500 . 3.500 2.626 2.520 2.689 . 0 0 "[ . 1 . 2]" 1
1303 1 76 ASP H 1 79 ALA MB 4.500 . 4.500 4.464 4.285 4.542 0.042 12 0 "[ . 1 . 2]" 1
1304 1 77 PHE HA 1 80 LYS HB3 4.500 . 4.500 4.117 4.039 4.204 . 0 0 "[ . 1 . 2]" 1
1305 1 77 PHE HA 1 80 LYS HB2 3.500 . 3.500 2.624 2.566 2.669 . 0 0 "[ . 1 . 2]" 1
1306 1 74 MET HA 1 77 PHE HB3 3.500 . 3.500 2.027 1.860 2.442 . 0 0 "[ . 1 . 2]" 1
1307 1 74 MET HA 1 77 PHE HB2 4.500 . 4.500 2.555 2.205 2.984 . 0 0 "[ . 1 . 2]" 1
1308 1 74 MET HA 1 77 PHE H 3.500 . 3.500 3.219 3.073 3.485 . 0 0 "[ . 1 . 2]" 1
1309 1 74 MET HB3 1 77 PHE H 5.500 . 5.500 5.238 5.076 5.481 . 0 0 "[ . 1 . 2]" 1
1310 1 74 MET HB2 1 77 PHE H 6.000 . 6.000 4.864 4.712 5.259 . 0 0 "[ . 1 . 2]" 1
1311 1 74 MET H 1 77 PHE H 6.000 . 6.000 4.459 4.380 4.555 . 0 0 "[ . 1 . 2]" 1
1312 1 75 LEU HB3 1 77 PHE H 6.000 . 6.000 4.480 4.266 4.828 . 0 0 "[ . 1 . 2]" 1
1313 1 75 LEU H 1 77 PHE H 4.500 . 4.500 3.683 3.615 3.777 . 0 0 "[ . 1 . 2]" 1
1314 1 76 ASP HB3 1 77 PHE H 3.500 . 3.500 3.235 3.034 3.308 . 0 0 "[ . 1 . 2]" 1
1315 1 76 ASP HB2 1 77 PHE H 4.500 . 4.500 3.605 3.368 3.673 . 0 0 "[ . 1 . 2]" 1
1316 1 77 PHE H 1 77 PHE HB3 3.500 . 3.500 2.519 2.318 2.628 . 0 0 "[ . 1 . 2]" 1
1317 1 77 PHE H 1 78 TYR QD 6.000 . 6.000 5.006 4.354 5.292 . 0 0 "[ . 1 . 2]" 1
1318 1 77 PHE H 1 78 TYR QE 6.500 . 6.500 6.288 5.666 6.527 0.027 15 0 "[ . 1 . 2]" 1
1319 1 77 PHE H 1 79 ALA H 5.500 . 5.500 3.875 3.738 4.010 . 0 0 "[ . 1 . 2]" 1
1320 1 77 PHE H 1 80 LYS H 6.000 . 6.000 4.478 4.406 4.533 . 0 0 "[ . 1 . 2]" 1
1321 1 77 PHE H 1 81 GLN H 5.500 . 5.500 5.587 5.561 5.616 0.116 12 0 "[ . 1 . 2]" 1
1322 1 77 PHE QE 1 78 TYR HA 4.500 . 4.500 4.346 3.843 4.496 . 0 0 "[ . 1 . 2]" 1
1323 1 78 TYR HA 1 78 TYR QD 3.500 . 3.500 2.020 1.843 2.519 . 0 0 "[ . 1 . 2]" 1
1324 1 15 ILE MD 1 78 TYR HB3 4.500 . 4.500 4.345 4.218 4.459 . 0 0 "[ . 1 . 2]" 1
1325 1 78 TYR HB3 1 81 GLN HB3 4.500 . 4.500 4.396 4.226 4.536 0.036 15 0 "[ . 1 . 2]" 1
1326 1 78 TYR HB3 1 81 GLN HB2 5.500 . 5.500 4.720 4.349 4.960 . 0 0 "[ . 1 . 2]" 1
1327 1 15 ILE HB 1 78 TYR HB2 4.500 . 4.500 4.566 4.487 4.613 0.113 17 0 "[ . 1 . 2]" 1
1328 1 15 ILE QG 1 78 TYR HB2 4.500 . 4.500 2.314 2.181 2.427 . 0 0 "[ . 1 . 2]" 1
1329 1 15 ILE MG 1 78 TYR HB2 4.500 . 4.500 2.113 1.975 2.358 . 0 0 "[ . 1 . 2]" 1
1330 1 15 ILE MD 1 78 TYR H 6.000 . 6.000 4.123 3.841 4.316 . 0 0 "[ . 1 . 2]" 1
1331 1 15 ILE QG 1 78 TYR H 5.500 . 5.500 3.798 3.679 3.863 . 0 0 "[ . 1 . 2]" 1
1332 1 15 ILE MG 1 78 TYR H 4.500 . 4.500 4.098 3.993 4.205 . 0 0 "[ . 1 . 2]" 1
1333 1 74 MET HA 1 78 TYR H 5.500 . 5.500 3.683 3.511 3.854 . 0 0 "[ . 1 . 2]" 1
1334 1 76 ASP HA 1 78 TYR H 6.000 . 6.000 4.847 4.734 5.017 . 0 0 "[ . 1 . 2]" 1
1335 1 76 ASP HB2 1 78 TYR H 6.500 . 6.500 6.031 5.933 6.181 . 0 0 "[ . 1 . 2]" 1
1336 1 77 PHE HB3 1 78 TYR H 3.500 . 3.500 2.256 2.107 2.382 . 0 0 "[ . 1 . 2]" 1
1337 1 77 PHE HB2 1 78 TYR H 4.500 . 4.500 3.677 3.583 3.810 . 0 0 "[ . 1 . 2]" 1
1338 1 77 PHE H 1 78 TYR H 3.500 . 3.500 2.620 2.522 2.803 . 0 0 "[ . 1 . 2]" 1
1339 1 78 TYR H 1 78 TYR HB3 3.500 . 3.500 3.551 3.533 3.569 0.069 12 0 "[ . 1 . 2]" 1
1340 1 78 TYR H 1 78 TYR HB2 3.500 . 3.500 2.368 2.288 2.464 . 0 0 "[ . 1 . 2]" 1
1341 1 78 TYR H 1 78 TYR QD 3.500 . 3.500 3.174 2.691 3.342 . 0 0 "[ . 1 . 2]" 1
1342 1 78 TYR H 1 78 TYR QE 6.000 . 6.000 4.645 4.300 4.814 . 0 0 "[ . 1 . 2]" 1
1343 1 78 TYR H 1 79 ALA MB 4.500 . 4.500 4.355 4.295 4.413 . 0 0 "[ . 1 . 2]" 1
1344 1 78 TYR H 1 79 ALA H 3.500 . 3.500 2.748 2.659 2.829 . 0 0 "[ . 1 . 2]" 1
1345 1 78 TYR H 1 80 LYS H 6.000 . 6.000 4.506 4.444 4.565 . 0 0 "[ . 1 . 2]" 1
1346 1 78 TYR H 1 81 GLN HB3 5.500 . 5.500 5.431 5.303 5.542 0.042 16 0 "[ . 1 . 2]" 1
1347 1 78 TYR H 1 81 GLN HB2 4.500 . 4.500 4.514 4.456 4.564 0.064 17 0 "[ . 1 . 2]" 1
1348 1 15 ILE HA 1 79 ALA HA 4.500 . 4.500 4.588 4.526 4.615 0.115 7 0 "[ . 1 . 2]" 1
1349 1 76 ASP HA 1 79 ALA HA 5.500 . 5.500 5.406 5.275 5.486 . 0 0 "[ . 1 . 2]" 1
1350 1 76 ASP HA 1 79 ALA MB 3.500 . 3.500 2.548 2.366 2.734 . 0 0 "[ . 1 . 2]" 1
1351 1 15 ILE MG 1 79 ALA H 4.500 . 4.500 4.123 3.966 4.412 . 0 0 "[ . 1 . 2]" 1
1352 1 75 LEU HA 1 79 ALA H 4.500 . 4.500 4.020 3.907 4.195 . 0 0 "[ . 1 . 2]" 1
1353 1 75 LEU MD1 1 79 ALA H 5.500 . 5.500 5.472 5.316 5.566 0.066 9 0 "[ . 1 . 2]" 1
1354 1 76 ASP HA 1 79 ALA H 4.500 . 4.500 3.742 3.623 3.868 . 0 0 "[ . 1 . 2]" 1
1355 1 77 PHE HB3 1 79 ALA H 6.000 . 6.000 4.836 4.683 4.954 . 0 0 "[ . 1 . 2]" 1
1356 1 78 TYR HA 1 79 ALA H 3.500 . 3.500 3.558 3.517 3.574 0.074 18 0 "[ . 1 . 2]" 1
1357 1 78 TYR HB3 1 79 ALA H 4.500 . 4.500 3.386 3.194 3.601 . 0 0 "[ . 1 . 2]" 1
1358 1 78 TYR HB2 1 79 ALA H 3.500 . 3.500 2.516 2.330 2.624 . 0 0 "[ . 1 . 2]" 1
1359 1 78 TYR QD 1 79 ALA H 5.500 . 5.500 4.336 4.000 4.431 . 0 0 "[ . 1 . 2]" 1
1360 1 79 ALA H 1 80 LYS HB3 6.500 . 6.500 6.166 6.074 6.252 . 0 0 "[ . 1 . 2]" 1
1361 1 79 ALA H 1 80 LYS HB2 5.500 . 5.500 4.660 4.564 4.753 . 0 0 "[ . 1 . 2]" 1
1362 1 79 ALA H 1 81 GLN HB3 6.000 . 6.000 5.162 5.012 5.241 . 0 0 "[ . 1 . 2]" 1
1363 1 79 ALA H 1 81 GLN HB2 6.000 . 6.000 4.868 4.757 4.963 . 0 0 "[ . 1 . 2]" 1
1364 1 80 LYS HA 1 83 ALA MB 3.500 . 3.500 2.912 2.213 3.051 . 0 0 "[ . 1 . 2]" 1
1365 1 80 LYS HB3 1 81 GLN HA 4.500 . 4.500 4.250 4.201 4.284 . 0 0 "[ . 1 . 2]" 1
1366 1 80 LYS HB2 1 81 GLN HA 4.500 . 4.500 4.472 4.404 4.509 0.009 13 0 "[ . 1 . 2]" 1
1367 1 80 LYS HB3 1 80 LYS HD3 3.500 . 3.500 2.365 2.088 2.523 . 0 0 "[ . 1 . 2]" 1
1368 1 80 LYS HB3 1 80 LYS HD2 3.500 . 3.500 3.539 3.359 3.581 0.081 17 0 "[ . 1 . 2]" 1
1369 1 80 LYS HE3 1 83 ALA MB 3.500 . 3.500 3.458 2.756 3.564 0.064 11 0 "[ . 1 . 2]" 1
1370 1 80 LYS HE2 1 83 ALA MB 3.500 . 3.500 3.444 2.806 3.571 0.071 10 0 "[ . 1 . 2]" 1
1371 1 76 ASP HA 1 80 LYS HG3 4.500 . 4.500 4.161 4.084 4.316 . 0 0 "[ . 1 . 2]" 1
1372 1 77 PHE HA 1 80 LYS HG3 3.500 . 3.500 3.579 3.558 3.635 0.135 11 0 "[ . 1 . 2]" 1
1373 1 80 LYS HA 1 80 LYS HG3 4.500 . 4.500 3.704 3.695 3.721 . 0 0 "[ . 1 . 2]" 1
1374 1 80 LYS HG3 1 81 GLN HA 6.500 . 6.500 6.543 6.511 6.568 0.068 17 0 "[ . 1 . 2]" 1
1375 1 76 ASP HA 1 80 LYS HG2 3.500 . 3.500 3.535 3.489 3.568 0.068 19 0 "[ . 1 . 2]" 1
1376 1 77 PHE HA 1 80 LYS HG2 4.500 . 4.500 4.509 4.421 4.554 0.054 10 0 "[ . 1 . 2]" 1
1377 1 80 LYS HA 1 80 LYS HG2 3.500 . 3.500 2.586 2.554 2.649 . 0 0 "[ . 1 . 2]" 1
1378 1 80 LYS HG2 1 81 GLN HA 6.500 . 6.500 6.498 6.461 6.523 0.023 18 0 "[ . 1 . 2]" 1
1379 1 76 ASP HA 1 80 LYS H 4.500 . 4.500 3.243 3.197 3.330 . 0 0 "[ . 1 . 2]" 1
1380 1 76 ASP HB2 1 80 LYS H 6.000 . 6.000 5.645 5.576 5.701 . 0 0 "[ . 1 . 2]" 1
1381 1 76 ASP H 1 80 LYS H 5.500 . 5.500 5.531 5.479 5.576 0.076 15 0 "[ . 1 . 2]" 1
1382 1 77 PHE HA 1 80 LYS H 4.500 . 4.500 3.963 3.873 4.033 . 0 0 "[ . 1 . 2]" 1
1383 1 78 TYR HA 1 80 LYS H 5.500 . 5.500 4.978 4.907 5.043 . 0 0 "[ . 1 . 2]" 1
1384 1 78 TYR HB3 1 80 LYS H 6.500 . 6.500 5.871 5.740 6.000 . 0 0 "[ . 1 . 2]" 1
1385 1 78 TYR HB2 1 80 LYS H 5.500 . 5.500 5.300 5.189 5.370 . 0 0 "[ . 1 . 2]" 1
1386 1 79 ALA HA 1 80 LYS H 3.500 . 3.500 3.550 3.537 3.555 0.055 1 0 "[ . 1 . 2]" 1
1387 1 79 ALA H 1 80 LYS H 3.500 . 3.500 2.921 2.832 2.999 . 0 0 "[ . 1 . 2]" 1
1388 1 80 LYS H 1 80 LYS HB3 3.500 . 3.500 3.586 3.564 3.599 0.099 18 0 "[ . 1 . 2]" 1
1389 1 80 LYS H 1 80 LYS HD3 5.500 . 5.500 4.907 4.645 4.999 . 0 0 "[ . 1 . 2]" 1
1390 1 80 LYS H 1 80 LYS HE3 6.000 . 6.000 3.920 3.599 4.219 . 0 0 "[ . 1 . 2]" 1
1391 1 80 LYS H 1 80 LYS HG3 3.500 . 3.500 3.432 3.366 3.506 0.006 18 0 "[ . 1 . 2]" 1
1392 1 80 LYS H 1 81 GLN HB3 5.500 . 5.500 5.455 5.368 5.514 0.014 5 0 "[ . 1 . 2]" 1
1393 1 80 LYS H 1 81 GLN HB2 5.500 . 5.500 4.854 4.781 4.926 . 0 0 "[ . 1 . 2]" 1
1394 1 78 TYR HA 1 81 GLN HA 5.500 . 5.500 5.002 4.780 5.128 . 0 0 "[ . 1 . 2]" 1
1395 1 78 TYR HA 1 81 GLN HB3 3.500 . 3.500 2.884 2.752 3.000 . 0 0 "[ . 1 . 2]" 1
1396 1 78 TYR HA 1 81 GLN HB2 3.500 . 3.500 2.432 2.166 2.610 . 0 0 "[ . 1 . 2]" 1
1397 1 78 TYR HB2 1 81 GLN H 5.500 . 5.500 5.253 5.139 5.378 . 0 0 "[ . 1 . 2]" 1
1398 1 79 ALA HA 1 81 GLN H 4.500 . 4.500 3.999 3.889 4.233 . 0 0 "[ . 1 . 2]" 1
1399 1 79 ALA H 1 81 GLN H 4.500 . 4.500 3.790 3.714 3.939 . 0 0 "[ . 1 . 2]" 1
1400 1 80 LYS HB3 1 81 GLN H 3.500 . 3.500 3.557 3.415 3.595 0.095 17 0 "[ . 1 . 2]" 1
1401 1 80 LYS HB2 1 81 GLN H 3.500 . 3.500 2.762 2.611 2.817 . 0 0 "[ . 1 . 2]" 1
1402 1 80 LYS HG3 1 81 GLN H 5.500 . 5.500 4.923 4.798 4.982 . 0 0 "[ . 1 . 2]" 1
1403 1 80 LYS HG2 1 81 GLN H 5.500 . 5.500 4.565 4.474 4.607 . 0 0 "[ . 1 . 2]" 1
1404 1 80 LYS H 1 81 GLN H 4.500 . 4.500 2.800 2.754 2.843 . 0 0 "[ . 1 . 2]" 1
1405 1 81 GLN H 1 81 GLN HB3 3.500 . 3.500 2.890 2.811 2.933 . 0 0 "[ . 1 . 2]" 1
1406 1 81 GLN H 1 81 GLN HG3 4.500 . 4.500 4.259 4.094 4.474 . 0 0 "[ . 1 . 2]" 1
1407 1 81 GLN H 1 82 ARG H 3.500 . 3.500 2.682 2.624 2.805 . 0 0 "[ . 1 . 2]" 1
1408 1 82 ARG HB3 1 82 ARG HD3 3.500 . 3.500 3.432 3.301 3.512 0.012 18 0 "[ . 1 . 2]" 1
1409 1 82 ARG HB2 1 82 ARG HD3 3.500 . 3.500 3.087 2.603 3.519 0.019 12 0 "[ . 1 . 2]" 1
1410 1 79 ALA MB 1 82 ARG H 5.500 . 5.500 4.512 4.419 4.691 . 0 0 "[ . 1 . 2]" 1
1411 1 79 ALA H 1 82 ARG H 6.000 . 6.000 4.627 4.580 4.738 . 0 0 "[ . 1 . 2]" 1
1412 1 80 LYS H 1 82 ARG H 4.500 . 4.500 4.549 4.512 4.617 0.117 11 0 "[ . 1 . 2]" 1
1413 1 81 GLN HB3 1 82 ARG H 3.500 . 3.500 2.145 2.066 2.210 . 0 0 "[ . 1 . 2]" 1
1414 1 81 GLN HB2 1 82 ARG H 4.500 . 4.500 3.267 3.222 3.351 . 0 0 "[ . 1 . 2]" 1
1415 1 81 GLN HG3 1 82 ARG H 5.500 . 5.500 4.671 4.007 4.871 . 0 0 "[ . 1 . 2]" 1
1416 1 81 GLN HG2 1 82 ARG H 4.500 . 4.500 4.186 3.885 4.490 . 0 0 "[ . 1 . 2]" 1
1417 1 82 ARG H 1 82 ARG HB3 3.500 . 3.500 2.689 2.333 3.061 . 0 0 "[ . 1 . 2]" 1
1418 1 82 ARG H 1 82 ARG HD3 4.500 . 4.500 4.395 4.310 4.488 . 0 0 "[ . 1 . 2]" 1
1419 1 82 ARG H 1 83 ALA MB 4.500 . 4.500 4.611 4.540 4.633 0.133 4 0 "[ . 1 . 2]" 1
1420 1 82 ARG H 1 84 ALA H 4.500 . 4.500 3.929 3.837 4.213 . 0 0 "[ . 1 . 2]" 1
1421 1 83 ALA MB 1 84 ALA HA 4.500 . 4.500 3.886 3.694 4.043 . 0 0 "[ . 1 . 2]" 1
1422 1 79 ALA HA 1 83 ALA H 5.500 . 5.500 4.354 4.076 4.499 . 0 0 "[ . 1 . 2]" 1
1423 1 82 ARG HD3 1 83 ALA H 4.500 . 4.500 4.296 4.153 4.435 . 0 0 "[ . 1 . 2]" 1
1424 1 82 ARG HD2 1 83 ALA H 5.500 . 5.500 3.998 3.747 4.431 . 0 0 "[ . 1 . 2]" 1
1425 1 82 ARG H 1 83 ALA H 3.500 . 3.500 3.020 2.979 3.048 . 0 0 "[ . 1 . 2]" 1
1426 1 83 ALA H 1 83 ALA MB 3.500 . 3.500 2.070 2.037 2.146 . 0 0 "[ . 1 . 2]" 1
1427 1 83 ALA H 1 84 ALA HA 5.500 . 5.500 5.075 5.010 5.235 . 0 0 "[ . 1 . 2]" 1
1428 1 83 ALA H 1 84 ALA H 3.500 . 3.500 2.401 2.288 2.881 . 0 0 "[ . 1 . 2]" 1
1429 1 81 GLN HB3 1 84 ALA MB 4.500 . 4.500 4.514 4.468 4.556 0.056 12 0 "[ . 1 . 2]" 1
1430 1 81 GLN HB2 1 84 ALA MB 4.500 . 4.500 4.300 4.193 4.493 . 0 0 "[ . 1 . 2]" 1
1431 1 84 ALA MB 1 85 ILE HB 5.500 . 5.500 5.336 4.723 5.543 0.043 14 0 "[ . 1 . 2]" 1
1432 1 82 ARG H 1 84 ALA MB 5.500 . 5.500 4.558 4.397 4.642 . 0 0 "[ . 1 . 2]" 1
1433 1 82 ARG HB3 1 84 ALA H 6.000 . 6.000 4.620 4.484 4.793 . 0 0 "[ . 1 . 2]" 1
1434 1 82 ARG HD3 1 84 ALA H 5.500 . 5.500 5.364 4.698 5.564 0.064 11 0 "[ . 1 . 2]" 1
1435 1 82 ARG HD2 1 84 ALA H 5.500 . 5.500 5.351 4.483 5.529 0.029 11 0 "[ . 1 . 2]" 1
1436 1 83 ALA HA 1 84 ALA H 4.500 . 4.500 3.425 3.158 3.479 . 0 0 "[ . 1 . 2]" 1
1437 1 84 ALA H 1 85 ILE MD 6.000 . 6.000 4.841 2.955 5.717 . 0 0 "[ . 1 . 2]" 1
1438 1 84 ALA H 1 85 ILE HG12 6.000 . 6.000 5.050 4.116 6.010 0.010 4 0 "[ . 1 . 2]" 1
1439 1 85 ILE HA 1 85 ILE MD 4.500 . 4.500 3.626 1.963 4.166 . 0 0 "[ . 1 . 2]" 1
1440 1 85 ILE HA 1 85 ILE HG12 4.500 . 4.500 2.938 2.296 4.121 . 0 0 "[ . 1 . 2]" 1
1441 1 85 ILE HB 1 85 ILE MD 3.500 . 3.500 2.444 1.998 3.223 . 0 0 "[ . 1 . 2]" 1
1442 1 82 ARG HD3 1 85 ILE MD . . 3.500 2.393 1.816 3.425 . 0 0 "[ . 1 . 2]" 1
1443 1 82 ARG HD2 1 85 ILE MD 3.500 . 3.500 3.125 2.271 3.512 0.012 2 0 "[ . 1 . 2]" 1
1444 1 85 ILE HA 1 85 ILE MG 3.500 . 3.500 2.382 2.178 2.530 . 0 0 "[ . 1 . 2]" 1
1445 1 85 ILE HG13 1 85 ILE MG 3.500 . 3.500 3.027 2.206 3.198 . 0 0 "[ . 1 . 2]" 1
1446 1 85 ILE HG12 1 85 ILE MG 3.500 . 3.500 2.397 1.921 3.192 . 0 0 "[ . 1 . 2]" 1
1447 1 85 ILE MG 1 88 SER HB3 3.500 . 3.500 2.915 1.901 3.497 . 0 0 "[ . 1 . 2]" 1
1448 1 85 ILE MG 1 88 SER HB2 3.500 . 3.500 2.881 1.883 3.505 0.005 11 0 "[ . 1 . 2]" 1
1449 1 82 ARG HA 1 85 ILE H 6.000 . 6.000 4.377 3.782 4.675 . 0 0 "[ . 1 . 2]" 1
1450 1 82 ARG HD3 1 85 ILE H 5.500 . 5.500 4.917 4.585 5.161 . 0 0 "[ . 1 . 2]" 1
1451 1 82 ARG HD2 1 85 ILE H 5.500 . 5.500 5.093 4.798 5.464 . 0 0 "[ . 1 . 2]" 1
1452 1 83 ALA H 1 85 ILE H 6.000 . 6.000 4.402 4.268 4.899 . 0 0 "[ . 1 . 2]" 1
1453 1 84 ALA HA 1 85 ILE H 3.500 . 3.500 3.021 2.877 3.567 0.067 15 0 "[ . 1 . 2]" 1
1454 1 85 ILE H 1 85 ILE MD 4.500 . 4.500 3.467 2.055 4.116 . 0 0 "[ . 1 . 2]" 1
1455 1 85 ILE H 1 85 ILE HG13 4.500 . 4.500 2.597 1.868 3.666 . 0 0 "[ . 1 . 2]" 1
1456 1 85 ILE H 1 85 ILE HG12 4.500 . 4.500 3.305 1.881 3.896 . 0 0 "[ . 1 . 2]" 1
1457 1 87 ARG HB3 1 88 SER HA 4.500 . 4.500 4.250 3.786 4.567 0.067 18 0 "[ . 1 . 2]" 1
1458 1 85 ILE HG12 1 87 ARG H 5.500 . 5.500 5.238 4.745 5.516 0.016 6 0 "[ . 1 . 2]" 1
1459 1 85 ILE MG 1 87 ARG H 6.000 . 6.000 2.823 1.790 5.151 0.010 7 0 "[ . 1 . 2]" 1
1460 1 87 ARG H 1 87 ARG HB2 3.500 . 3.500 2.763 2.074 3.502 0.002 6 0 "[ . 1 . 2]" 1
1461 1 87 ARG H 1 87 ARG HG3 4.500 . 4.500 4.049 2.958 4.505 0.005 1 0 "[ . 1 . 2]" 1
1462 1 87 ARG H 1 88 SER HA 6.000 . 6.000 5.080 4.428 6.010 0.010 2 0 "[ . 1 . 2]" 1
1463 1 88 SER HA 1 89 GLU HB2 4.500 . 4.500 4.340 3.855 4.539 0.039 16 0 "[ . 1 . 2]" 1
1464 1 89 GLU HB2 1 90 SER H 3.500 . 3.500 2.907 1.870 3.506 0.006 20 0 "[ . 1 . 2]" 1
1465 1 88 SER HA 1 89 GLU H 4.500 . 4.500 2.492 2.149 3.564 . 0 0 "[ . 1 . 2]" 1
1466 1 88 SER H 1 89 GLU H 5.500 . 5.500 3.456 2.012 4.546 . 0 0 "[ . 1 . 2]" 1
1467 1 89 GLU H 1 90 SER H 5.500 . 5.500 3.137 1.872 4.454 . 0 0 "[ . 1 . 2]" 1
1468 1 88 SER H 1 90 SER H 6.000 . 6.000 5.265 4.313 6.005 0.005 4 0 "[ . 1 . 2]" 1
1469 1 89 GLU HA 1 90 SER H 3.500 . 3.500 3.461 2.435 3.558 0.058 4 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 62
_Distance_constraint_stats_list.Viol_count 321
_Distance_constraint_stats_list.Viol_total 267.172
_Distance_constraint_stats_list.Viol_max 0.244
_Distance_constraint_stats_list.Viol_rms 0.0254
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0416
_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 6 ASN 0.045 0.045 20 0 "[ . 1 . 2]"
1 7 ALA 2.227 0.123 4 0 "[ . 1 . 2]"
1 8 LYS 0.739 0.103 10 0 "[ . 1 . 2]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLN 1.181 0.126 9 0 "[ . 1 . 2]"
1 11 LEU 2.227 0.123 4 0 "[ . 1 . 2]"
1 12 TYR 0.739 0.103 10 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 1.136 0.126 9 0 "[ . 1 . 2]"
1 23 HIS 0.244 0.062 8 0 "[ . 1 . 2]"
1 25 VAL 0.333 0.052 8 0 "[ . 1 . 2]"
1 27 VAL 0.252 0.065 8 0 "[ . 1 . 2]"
1 37 SER 0.253 0.053 17 0 "[ . 1 . 2]"
1 38 ILE 0.252 0.065 8 0 "[ . 1 . 2]"
1 39 VAL 0.150 0.028 19 0 "[ . 1 . 2]"
1 40 GLU 0.333 0.052 8 0 "[ . 1 . 2]"
1 41 CYS 0.789 0.068 16 0 "[ . 1 . 2]"
1 42 ARG 0.244 0.062 8 0 "[ . 1 . 2]"
1 50 GLY 0.789 0.068 16 0 "[ . 1 . 2]"
1 52 GLY 0.150 0.028 19 0 "[ . 1 . 2]"
1 54 GLY 0.253 0.053 17 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.261 0.056 17 0 "[ . 1 . 2]"
1 61 GLY 0.104 0.031 11 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ARG 1.609 0.128 3 0 "[ . 1 . 2]"
1 64 ALA 0.934 0.082 9 0 "[ . 1 . 2]"
1 65 ALA 0.104 0.031 11 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 1.609 0.128 3 0 "[ . 1 . 2]"
1 68 ALA 0.673 0.082 9 0 "[ . 1 . 2]"
1 72 LYS 1.077 0.127 20 0 "[ . 1 . 2]"
1 73 LYS 0.508 0.132 11 0 "[ . 1 . 2]"
1 74 MET 1.182 0.089 15 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 1.088 0.127 20 0 "[ . 1 . 2]"
1 77 PHE 0.599 0.132 11 0 "[ . 1 . 2]"
1 78 TYR 1.329 0.089 15 0 "[ . 1 . 2]"
1 79 ALA 0.099 0.035 9 0 "[ . 1 . 2]"
1 80 LYS 1.439 0.244 16 0 "[ . 1 . 2]"
1 81 GLN 0.091 0.039 11 0 "[ . 1 . 2]"
1 82 ARG 0.148 0.037 15 0 "[ . 1 . 2]"
1 83 ALA 0.099 0.035 9 0 "[ . 1 . 2]"
1 84 ALA 1.427 0.244 16 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 6 ASN O 1 10 GLN H 2.000 . 2.200 1.935 1.801 2.071 . 0 0 "[ . 1 . 2]" 2
2 1 6 ASN O 1 10 GLN N 2.900 2.700 3.200 2.839 2.655 2.982 0.045 20 0 "[ . 1 . 2]" 2
3 1 7 ALA O 1 11 LEU H 2.000 . 2.200 1.683 1.648 1.729 0.052 20 0 "[ . 1 . 2]" 2
4 1 7 ALA O 1 11 LEU N 2.900 2.700 3.200 2.607 2.577 2.638 0.123 4 0 "[ . 1 . 2]" 2
5 1 8 LYS O 1 12 TYR H 2.000 . 2.200 2.130 1.707 2.303 0.103 10 0 "[ . 1 . 2]" 2
6 1 8 LYS O 1 12 TYR N 2.900 2.700 3.200 2.996 2.606 3.164 0.094 9 0 "[ . 1 . 2]" 2
7 1 9 ARG O 1 13 SER H 2.000 . 2.200 2.075 1.973 2.178 . 0 0 "[ . 1 . 2]" 2
8 1 9 ARG O 1 13 SER N 2.900 2.700 3.200 2.900 2.768 2.973 . 0 0 "[ . 1 . 2]" 2
9 1 10 GLN O 1 14 LEU H 2.000 . 2.200 1.749 1.632 1.823 0.068 9 0 "[ . 1 . 2]" 2
10 1 10 GLN O 1 14 LEU N 2.900 2.700 3.200 2.654 2.574 2.722 0.126 9 0 "[ . 1 . 2]" 2
11 1 59 ILE O 1 63 ARG H 2.000 . 2.200 1.928 1.813 2.079 . 0 0 "[ . 1 . 2]" 2
12 1 59 ILE O 1 63 ARG N 2.900 2.700 3.200 2.874 2.751 2.999 . 0 0 "[ . 1 . 2]" 2
13 1 60 ALA O 1 64 ALA H 2.000 . 2.200 1.791 1.723 1.910 . 0 0 "[ . 1 . 2]" 2
14 1 60 ALA O 1 64 ALA N 2.900 2.700 3.200 2.695 2.644 2.772 0.056 17 0 "[ . 1 . 2]" 2
15 1 61 GLY O 1 65 ALA H 2.000 . 2.200 1.773 1.725 1.839 . 0 0 "[ . 1 . 2]" 2
16 1 61 GLY O 1 65 ALA N 2.900 2.700 3.200 2.714 2.669 2.770 0.031 11 0 "[ . 1 . 2]" 2
17 1 62 ILE O 1 66 GLU H 2.000 . 2.200 1.914 1.794 1.984 . 0 0 "[ . 1 . 2]" 2
18 1 62 ILE O 1 66 GLU N 2.900 2.700 3.200 2.880 2.768 2.945 . 0 0 "[ . 1 . 2]" 2
19 1 63 ARG O 1 67 ASN H 2.000 . 2.200 1.824 1.661 2.014 0.039 20 0 "[ . 1 . 2]" 2
20 1 63 ARG O 1 67 ASN N 2.900 2.700 3.200 2.622 2.572 2.703 0.128 3 0 "[ . 1 . 2]" 2
21 1 64 ALA O 1 68 ALA H 2.000 . 2.200 1.752 1.661 1.922 0.039 5 0 "[ . 1 . 2]" 2
22 1 64 ALA O 1 68 ALA N 2.900 2.700 3.200 2.704 2.618 2.872 0.082 9 0 "[ . 1 . 2]" 2
23 1 72 LYS O 1 76 ASP H 2.000 . 2.200 1.745 1.683 1.804 0.017 20 0 "[ . 1 . 2]" 2
24 1 72 LYS O 1 76 ASP N 2.900 2.700 3.200 2.648 2.573 2.708 0.127 20 0 "[ . 1 . 2]" 2
25 1 73 LYS O 1 77 PHE H 2.000 . 2.200 2.115 1.917 2.217 0.017 20 0 "[ . 1 . 2]" 2
26 1 73 LYS O 1 77 PHE N 2.900 2.700 3.200 2.689 2.568 2.851 0.132 11 0 "[ . 1 . 2]" 2
27 1 74 MET O 1 78 TYR H 2.000 . 2.200 1.709 1.659 1.951 0.041 17 0 "[ . 1 . 2]" 2
28 1 74 MET O 1 78 TYR N 2.900 2.700 3.200 2.666 2.611 2.924 0.089 15 0 "[ . 1 . 2]" 2
29 1 75 LEU O 1 79 ALA H 2.000 . 2.200 1.914 1.821 2.057 . 0 0 "[ . 1 . 2]" 2
30 1 75 LEU O 1 79 ALA N 2.900 2.700 3.200 2.878 2.787 3.006 . 0 0 "[ . 1 . 2]" 2
31 1 76 ASP O 1 80 LYS H 2.000 . 2.200 2.093 1.821 2.202 0.002 7 0 "[ . 1 . 2]" 2
32 1 76 ASP O 1 80 LYS N 2.900 2.700 3.200 2.911 2.691 3.008 0.009 11 0 "[ . 1 . 2]" 2
33 1 77 PHE O 1 81 GLN H 2.000 . 2.200 1.956 1.773 2.050 . 0 0 "[ . 1 . 2]" 2
34 1 77 PHE O 1 81 GLN N 2.900 2.700 3.200 2.721 2.661 2.772 0.039 11 0 "[ . 1 . 2]" 2
35 1 78 TYR O 1 82 ARG H 2.000 . 2.200 1.774 1.682 1.933 0.018 15 0 "[ . 1 . 2]" 2
36 1 78 TYR O 1 82 ARG N 2.900 2.700 3.200 2.737 2.663 2.879 0.037 15 0 "[ . 1 . 2]" 2
37 1 79 ALA O 1 83 ALA H 2.000 . 2.200 2.131 1.852 2.235 0.035 9 0 "[ . 1 . 2]" 2
38 1 79 ALA O 1 83 ALA N 2.900 2.700 3.200 3.064 2.772 3.161 . 0 0 "[ . 1 . 2]" 2
39 1 80 LYS O 1 84 ALA H 2.000 . 2.200 1.968 1.806 2.444 0.244 16 0 "[ . 1 . 2]" 2
40 1 80 LYS O 1 84 ALA N 2.900 2.700 3.200 2.652 2.548 2.720 0.152 16 0 "[ . 1 . 2]" 2
41 1 23 HIS H 1 42 ARG O 2.000 . 2.200 1.894 1.773 2.011 . 0 0 "[ . 1 . 2]" 2
42 1 23 HIS N 1 42 ARG O 2.900 2.700 3.200 2.812 2.675 2.931 0.025 20 0 "[ . 1 . 2]" 2
43 1 23 HIS O 1 42 ARG H 2.000 . 2.200 2.156 1.914 2.262 0.062 8 0 "[ . 1 . 2]" 2
44 1 23 HIS O 1 42 ARG N 2.900 2.700 3.200 2.784 2.669 2.889 0.031 6 0 "[ . 1 . 2]" 2
45 1 25 VAL H 1 40 GLU O 2.000 . 2.200 2.010 1.687 2.214 0.014 19 0 "[ . 1 . 2]" 2
46 1 25 VAL N 1 40 GLU O 2.900 2.700 3.200 2.959 2.665 3.143 0.035 7 0 "[ . 1 . 2]" 2
47 1 25 VAL O 1 40 GLU H 2.000 . 2.200 1.964 1.735 2.234 0.034 13 0 "[ . 1 . 2]" 2
48 1 25 VAL O 1 40 GLU N 2.900 2.700 3.200 2.866 2.648 3.125 0.052 8 0 "[ . 1 . 2]" 2
49 1 27 VAL H 1 38 ILE O 2.000 . 2.200 1.973 1.733 2.137 . 0 0 "[ . 1 . 2]" 2
50 1 27 VAL N 1 38 ILE O 2.900 2.700 3.200 2.851 2.635 3.009 0.065 8 0 "[ . 1 . 2]" 2
51 1 37 SER H 1 54 GLY O 2.000 . 2.200 2.115 1.936 2.253 0.053 17 0 "[ . 1 . 2]" 2
52 1 37 SER N 1 54 GLY O 2.900 2.700 3.200 2.853 2.754 2.977 . 0 0 "[ . 1 . 2]" 2
53 1 37 SER O 1 54 GLY H 2.000 . 2.200 2.082 1.863 2.228 0.028 7 0 "[ . 1 . 2]" 2
54 1 37 SER O 1 54 GLY N 2.900 2.700 3.200 2.993 2.824 3.092 . 0 0 "[ . 1 . 2]" 2
55 1 39 VAL H 1 52 GLY O 2.000 . 2.200 2.117 1.924 2.222 0.022 3 0 "[ . 1 . 2]" 2
56 1 39 VAL N 1 52 GLY O 2.900 2.700 3.200 2.901 2.704 3.104 . 0 0 "[ . 1 . 2]" 2
57 1 39 VAL O 1 52 GLY H 2.000 . 2.200 1.843 1.713 2.064 . 0 0 "[ . 1 . 2]" 2
58 1 39 VAL O 1 52 GLY N 2.900 2.700 3.200 2.778 2.672 3.023 0.028 19 0 "[ . 1 . 2]" 2
59 1 41 CYS H 1 50 GLY O 2.000 . 2.200 1.905 1.707 2.050 . 0 0 "[ . 1 . 2]" 2
60 1 41 CYS N 1 50 GLY O 2.900 2.700 3.200 2.670 2.632 2.761 0.068 16 0 "[ . 1 . 2]" 2
61 1 41 CYS O 1 50 GLY H 2.000 . 2.200 2.081 1.786 2.223 0.023 5 0 "[ . 1 . 2]" 2
62 1 41 CYS O 1 50 GLY N 2.900 2.700 3.200 3.029 2.643 3.192 0.057 12 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 13, 2024 10:31:15 PM GMT (wattos1)