NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401651 |
1w0a   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w0a
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 1114
_Distance_constraint_stats_list.Viol_count 1672
_Distance_constraint_stats_list.Viol_total 1032.598
_Distance_constraint_stats_list.Viol_max 0.173
_Distance_constraint_stats_list.Viol_rms 0.0109
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0309
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 0.171 0.050 15 0 "[ . 1 . 2]"
1 2 LEU 0.667 0.076 2 0 "[ . 1 . 2]"
1 3 LYS 0.476 0.061 7 0 "[ . 1 . 2]"
1 4 ALA 0.596 0.055 6 0 "[ . 1 . 2]"
1 5 ASN 0.441 0.076 2 0 "[ . 1 . 2]"
1 6 LYS 0.252 0.038 14 0 "[ . 1 . 2]"
1 7 ASP 1.443 0.074 13 0 "[ . 1 . 2]"
1 8 LEU 1.050 0.079 5 0 "[ . 1 . 2]"
1 9 ILE 0.132 0.056 4 0 "[ . 1 . 2]"
1 10 SER 1.154 0.074 13 0 "[ . 1 . 2]"
1 11 ALA 3.085 0.155 20 0 "[ . 1 . 2]"
1 12 GLY 0.617 0.051 13 0 "[ . 1 . 2]"
1 13 LEU 2.560 0.106 11 0 "[ . 1 . 2]"
1 14 LYS 4.045 0.155 20 0 "[ . 1 . 2]"
1 15 GLU 1.240 0.067 20 0 "[ . 1 . 2]"
1 16 PHE 2.822 0.106 11 0 "[ . 1 . 2]"
1 17 SER 0.204 0.054 14 0 "[ . 1 . 2]"
1 18 VAL 0.296 0.071 16 0 "[ . 1 . 2]"
1 19 LEU 0.317 0.029 18 0 "[ . 1 . 2]"
1 20 LEU 1.323 0.075 16 0 "[ . 1 . 2]"
1 21 ASN 0.024 0.010 4 0 "[ . 1 . 2]"
1 22 GLN 0.141 0.071 16 0 "[ . 1 . 2]"
1 23 GLN 0.150 0.034 19 0 "[ . 1 . 2]"
1 24 VAL 0.001 0.001 18 0 "[ . 1 . 2]"
1 25 PHE 1.023 0.112 18 0 "[ . 1 . 2]"
1 26 ASN 0.225 0.047 18 0 "[ . 1 . 2]"
1 27 ASP 0.609 0.173 16 0 "[ . 1 . 2]"
1 28 PRO 0.291 0.049 19 0 "[ . 1 . 2]"
1 29 LEU 2.301 0.173 16 0 "[ . 1 . 2]"
1 30 VAL 3.070 0.129 20 0 "[ . 1 . 2]"
1 31 SER 0.934 0.113 11 0 "[ . 1 . 2]"
1 32 GLU 0.657 0.045 12 0 "[ . 1 . 2]"
1 33 GLU 1.155 0.059 12 0 "[ . 1 . 2]"
1 34 ASP 3.554 0.122 3 0 "[ . 1 . 2]"
1 35 MET 1.607 0.068 11 0 "[ . 1 . 2]"
1 36 VAL 1.910 0.077 10 0 "[ . 1 . 2]"
1 37 THR 1.092 0.171 2 0 "[ . 1 . 2]"
1 38 VAL 0.137 0.054 9 0 "[ . 1 . 2]"
1 39 VAL 1.311 0.077 10 0 "[ . 1 . 2]"
1 40 GLU 0.953 0.171 2 0 "[ . 1 . 2]"
1 41 ASP 0.074 0.037 15 0 "[ . 1 . 2]"
1 42 TRP 0.385 0.027 11 0 "[ . 1 . 2]"
1 43 MET 0.631 0.138 2 0 "[ . 1 . 2]"
1 44 ASN 1.884 0.102 10 0 "[ . 1 . 2]"
1 45 PHE 3.248 0.125 1 0 "[ . 1 . 2]"
1 46 TYR 1.677 0.130 6 0 "[ . 1 . 2]"
1 47 ILE 3.066 0.102 10 0 "[ . 1 . 2]"
1 48 ASN 2.555 0.115 3 0 "[ . 1 . 2]"
1 49 TYR 4.930 0.125 1 0 "[ . 1 . 2]"
1 50 TYR 3.681 0.130 6 0 "[ . 1 . 2]"
1 51 ARG 0.059 0.021 6 0 "[ . 1 . 2]"
1 52 GLN 1.469 0.129 15 0 "[ . 1 . 2]"
1 53 GLN 1.109 0.110 7 0 "[ . 1 . 2]"
1 54 VAL 1.332 0.129 15 0 "[ . 1 . 2]"
1 55 THR 0.731 0.077 18 0 "[ . 1 . 2]"
1 56 GLY 0.560 0.097 4 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PRO 0.271 0.060 4 0 "[ . 1 . 2]"
1 59 GLN 0.367 0.038 16 0 "[ . 1 . 2]"
1 60 GLU 1.057 0.078 7 0 "[ . 1 . 2]"
1 61 ARG 1.044 0.097 4 0 "[ . 1 . 2]"
1 62 ASP 0.889 0.098 6 0 "[ . 1 . 2]"
1 63 LYS 1.876 0.078 7 0 "[ . 1 . 2]"
1 64 ALA 0.671 0.064 5 0 "[ . 1 . 2]"
1 65 LEU 1.423 0.098 6 0 "[ . 1 . 2]"
1 66 GLN 0.981 0.079 15 0 "[ . 1 . 2]"
1 67 GLU 1.332 0.066 16 0 "[ . 1 . 2]"
1 68 LEU 1.967 0.061 15 0 "[ . 1 . 2]"
1 69 ARG 1.375 0.079 15 0 "[ . 1 . 2]"
1 70 GLN 0.736 0.066 16 0 "[ . 1 . 2]"
1 71 GLU 0.231 0.027 13 0 "[ . 1 . 2]"
1 72 LEU 0.692 0.051 18 0 "[ . 1 . 2]"
1 73 ASN 0.777 0.062 5 0 "[ . 1 . 2]"
1 74 THR 0.741 0.062 5 0 "[ . 1 . 2]"
1 75 LEU 1.119 0.055 2 0 "[ . 1 . 2]"
1 76 ALA 0.027 0.027 14 0 "[ . 1 . 2]"
1 77 ASN 0.135 0.052 4 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PHE 1.547 0.075 16 0 "[ . 1 . 2]"
1 80 LEU 1.246 0.072 19 0 "[ . 1 . 2]"
1 81 ALA 2.036 0.106 7 0 "[ . 1 . 2]"
1 82 LYS 0.929 0.061 3 0 "[ . 1 . 2]"
1 83 TYR 1.534 0.072 19 0 "[ . 1 . 2]"
1 84 ARG 1.153 0.106 7 0 "[ . 1 . 2]"
1 85 ASP 0.003 0.003 19 0 "[ . 1 . 2]"
1 86 PHE 2.105 0.091 1 0 "[ . 1 . 2]"
1 87 LEU 0.805 0.097 1 0 "[ . 1 . 2]"
1 88 LYS 0.119 0.053 1 0 "[ . 1 . 2]"
1 89 SER 0.208 0.089 18 0 "[ . 1 . 2]"
1 90 HIS 0.481 0.097 1 0 "[ . 1 . 2]"
1 91 GLU 0.213 0.048 11 0 "[ . 1 . 2]"
1 92 LEU 0.224 0.048 11 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 2 LEU H 1 2 LEU HG 3.000 . 3.500 3.064 2.072 3.556 0.056 8 0 "[ . 1 . 2]" 1
2 1 2 LEU H 1 2 LEU QB 3.000 . 3.500 2.997 2.305 3.483 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU H 1 2 LEU QD 4.000 . 4.750 2.833 1.764 3.781 0.036 8 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 3 LYS HA 3.000 . 3.500 2.807 2.748 2.869 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 3 LYS QB 3.000 . 3.500 2.435 2.098 2.905 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS H 1 3 LYS QG 4.000 . 4.750 2.943 1.905 4.032 . 0 0 "[ . 1 . 2]" 1
7 1 4 ALA H 1 4 ALA HA 3.000 . 3.500 2.791 2.771 2.840 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA H 1 4 ALA MB 3.000 . 3.500 2.154 2.059 2.237 . 0 0 "[ . 1 . 2]" 1
9 1 5 ASN H 1 5 ASN HA 3.000 . 3.500 2.823 2.801 2.844 . 0 0 "[ . 1 . 2]" 1
10 1 6 LYS H 1 6 LYS HA 3.000 . 3.500 2.793 2.759 2.828 . 0 0 "[ . 1 . 2]" 1
11 1 6 LYS H 1 6 LYS QB 3.000 . 3.500 2.227 2.035 2.555 . 0 0 "[ . 1 . 2]" 1
12 1 7 ASP H 1 7 ASP HA 3.000 . 3.500 2.841 2.799 2.863 . 0 0 "[ . 1 . 2]" 1
13 1 7 ASP H 1 7 ASP QB 3.000 . 3.500 2.195 2.081 2.272 . 0 0 "[ . 1 . 2]" 1
14 1 8 LEU H 1 8 LEU HA 3.000 . 3.500 2.809 2.788 2.849 . 0 0 "[ . 1 . 2]" 1
15 1 8 LEU H 1 8 LEU HG 4.000 . 4.750 4.478 4.058 4.666 . 0 0 "[ . 1 . 2]" 1
16 1 8 LEU H 1 8 LEU MD1 4.000 . 4.750 4.109 3.926 4.306 . 0 0 "[ . 1 . 2]" 1
17 1 8 LEU H 1 8 LEU MD2 5.000 . 6.000 4.055 3.613 4.282 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU H 1 8 LEU QB 3.000 . 3.500 2.194 2.095 2.259 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU HA 1 8 LEU MD1 4.000 . 4.750 2.701 1.901 3.771 . 0 0 "[ . 1 . 2]" 1
20 1 8 LEU QB 1 8 LEU MD1 3.000 . 3.500 2.148 1.913 2.582 . 0 0 "[ . 1 . 2]" 1
21 1 9 ILE H 1 9 ILE HA 3.000 . 3.500 2.812 2.791 2.828 . 0 0 "[ . 1 . 2]" 1
22 1 9 ILE H 1 9 ILE HB 3.000 . 3.500 2.480 2.230 2.670 . 0 0 "[ . 1 . 2]" 1
23 1 9 ILE H 1 9 ILE MG 4.000 . 4.750 3.453 2.607 3.777 . 0 0 "[ . 1 . 2]" 1
24 1 9 ILE HA 1 9 ILE HB 3.000 . 3.500 2.911 2.620 3.026 . 0 0 "[ . 1 . 2]" 1
25 1 10 SER H 1 10 SER HA 3.000 . 3.500 2.759 2.733 2.796 . 0 0 "[ . 1 . 2]" 1
26 1 11 ALA H 1 11 ALA HA 3.000 . 3.500 2.828 2.794 2.846 . 0 0 "[ . 1 . 2]" 1
27 1 13 LEU H 1 13 LEU HA 3.000 . 3.500 2.817 2.769 2.871 . 0 0 "[ . 1 . 2]" 1
28 1 13 LEU H 1 13 LEU HB3 3.000 . 3.500 3.473 3.399 3.543 0.043 19 0 "[ . 1 . 2]" 1
29 1 13 LEU H 1 13 LEU HB2 3.000 . 3.500 2.177 2.128 2.271 . 0 0 "[ . 1 . 2]" 1
30 1 13 LEU HA 1 13 LEU HB3 3.000 . 3.500 2.729 2.599 2.773 . 0 0 "[ . 1 . 2]" 1
31 1 13 LEU HA 1 13 LEU HB2 3.000 . 3.500 2.940 2.912 2.993 . 0 0 "[ . 1 . 2]" 1
32 1 14 LYS H 1 14 LYS HA 3.000 . 3.500 2.790 2.764 2.818 . 0 0 "[ . 1 . 2]" 1
33 1 14 LYS H 1 14 LYS QB 3.000 . 3.500 2.158 2.024 2.490 . 0 0 "[ . 1 . 2]" 1
34 1 14 LYS H 1 14 LYS QG 4.000 . 4.750 3.420 2.126 4.059 . 0 0 "[ . 1 . 2]" 1
35 1 14 LYS HA 1 14 LYS QG 3.000 . 3.500 2.528 2.022 3.448 . 0 0 "[ . 1 . 2]" 1
36 1 15 GLU H 1 15 GLU HA 3.000 . 3.500 2.831 2.796 2.876 . 0 0 "[ . 1 . 2]" 1
37 1 15 GLU H 1 15 GLU QB 3.000 . 3.500 2.192 2.059 2.544 . 0 0 "[ . 1 . 2]" 1
38 1 16 PHE H 1 16 PHE QD 4.000 . 4.750 4.164 4.122 4.223 . 0 0 "[ . 1 . 2]" 1
39 1 16 PHE HB3 1 16 PHE QD 3.000 . 3.500 2.459 2.322 2.724 . 0 0 "[ . 1 . 2]" 1
40 1 16 PHE HB2 1 16 PHE QD 3.000 . 3.500 2.709 2.474 2.761 . 0 0 "[ . 1 . 2]" 1
41 1 17 SER H 1 17 SER HA 3.000 . 3.500 2.806 2.776 2.835 . 0 0 "[ . 1 . 2]" 1
42 1 17 SER H 1 17 SER QB 3.000 . 3.500 2.241 2.074 2.473 . 0 0 "[ . 1 . 2]" 1
43 1 18 VAL H 1 18 VAL HA 3.000 . 3.500 2.823 2.801 2.845 . 0 0 "[ . 1 . 2]" 1
44 1 18 VAL H 1 18 VAL HB 3.000 . 3.500 2.602 2.450 2.672 . 0 0 "[ . 1 . 2]" 1
45 1 18 VAL H 1 18 VAL MG2 4.000 . 4.750 2.027 1.951 2.233 . 0 0 "[ . 1 . 2]" 1
46 1 19 LEU H 1 19 LEU HA 3.000 . 3.500 2.818 2.796 2.857 . 0 0 "[ . 1 . 2]" 1
47 1 19 LEU H 1 19 LEU HG 5.000 . 6.000 4.459 4.390 4.581 . 0 0 "[ . 1 . 2]" 1
48 1 19 LEU H 1 19 LEU MD1 5.000 . 6.000 4.013 3.567 4.204 . 0 0 "[ . 1 . 2]" 1
49 1 19 LEU H 1 19 LEU MD2 5.000 . 6.000 4.199 4.121 4.319 . 0 0 "[ . 1 . 2]" 1
50 1 19 LEU HA 1 19 LEU HG 4.000 . 4.750 2.979 2.612 3.432 . 0 0 "[ . 1 . 2]" 1
51 1 20 LEU H 1 20 LEU MD1 5.000 . 6.000 3.431 3.045 4.278 . 0 0 "[ . 1 . 2]" 1
52 1 20 LEU H 1 20 LEU MD2 5.000 . 6.000 3.651 2.360 4.115 . 0 0 "[ . 1 . 2]" 1
53 1 20 LEU HA 1 20 LEU MD2 4.000 . 4.750 2.281 1.812 2.595 . 0 0 "[ . 1 . 2]" 1
54 1 21 ASN H 1 21 ASN HA 3.000 . 3.500 2.834 2.779 2.881 . 0 0 "[ . 1 . 2]" 1
55 1 21 ASN H 1 21 ASN QB 3.000 . 3.500 2.185 2.053 2.411 . 0 0 "[ . 1 . 2]" 1
56 1 21 ASN H 1 21 ASN QD 5.000 . 6.000 4.012 2.543 4.727 . 0 0 "[ . 1 . 2]" 1
57 1 22 GLN H 1 22 GLN QG 4.000 . 4.750 3.196 2.061 4.055 . 0 0 "[ . 1 . 2]" 1
58 1 23 GLN H 1 23 GLN QB 3.000 . 3.500 2.388 2.123 2.673 . 0 0 "[ . 1 . 2]" 1
59 1 23 GLN H 1 23 GLN QG 3.000 . 3.500 2.798 2.300 3.357 . 0 0 "[ . 1 . 2]" 1
60 1 23 GLN HA 1 23 GLN QE 4.000 . 4.750 3.828 2.520 4.766 0.016 10 0 "[ . 1 . 2]" 1
61 1 24 VAL H 1 24 VAL HA 3.000 . 3.500 2.933 2.833 2.951 . 0 0 "[ . 1 . 2]" 1
62 1 24 VAL HA 1 24 VAL MG1 3.000 . 3.500 2.810 2.127 3.208 . 0 0 "[ . 1 . 2]" 1
63 1 24 VAL HA 1 24 VAL MG2 3.000 . 3.500 2.670 2.254 3.194 . 0 0 "[ . 1 . 2]" 1
64 1 25 PHE H 1 25 PHE HB2 4.000 . 4.750 2.744 2.516 2.991 . 0 0 "[ . 1 . 2]" 1
65 1 25 PHE H 1 25 PHE QD 4.000 . 4.750 3.123 2.442 3.842 . 0 0 "[ . 1 . 2]" 1
66 1 25 PHE HA 1 25 PHE QD 3.000 . 3.500 2.407 1.984 2.918 . 0 0 "[ . 1 . 2]" 1
67 1 25 PHE HA 1 25 PHE QE 4.000 . 4.750 4.600 4.255 4.862 0.112 18 0 "[ . 1 . 2]" 1
68 1 25 PHE HB2 1 25 PHE QD 3.000 . 3.500 2.292 2.253 2.381 . 0 0 "[ . 1 . 2]" 1
69 1 26 ASN H 1 26 ASN QB 3.000 . 3.500 2.784 2.089 3.507 0.007 3 0 "[ . 1 . 2]" 1
70 1 29 LEU H 1 29 LEU MD1 4.000 . 4.750 3.476 1.975 4.809 0.059 5 0 "[ . 1 . 2]" 1
71 1 29 LEU H 1 29 LEU MD2 5.000 . 6.000 3.817 1.950 4.825 . 0 0 "[ . 1 . 2]" 1
72 1 29 LEU H 1 29 LEU QB 3.000 . 3.500 2.891 2.223 3.364 . 0 0 "[ . 1 . 2]" 1
73 1 29 LEU HA 1 29 LEU MD1 4.000 . 4.750 3.314 1.776 4.041 0.024 19 0 "[ . 1 . 2]" 1
74 1 29 LEU HA 1 29 LEU MD2 4.000 . 4.750 3.112 1.950 3.931 . 0 0 "[ . 1 . 2]" 1
75 1 30 VAL H 1 30 VAL HB 3.000 . 3.500 2.865 2.246 3.485 . 0 0 "[ . 1 . 2]" 1
76 1 30 VAL H 1 30 VAL MG1 4.000 . 4.750 2.011 1.771 2.512 0.029 2 0 "[ . 1 . 2]" 1
77 1 30 VAL H 1 30 VAL MG2 4.000 . 4.750 3.635 3.388 3.743 . 0 0 "[ . 1 . 2]" 1
78 1 32 GLU H 1 32 GLU QB 3.000 . 3.500 2.394 2.050 2.700 . 0 0 "[ . 1 . 2]" 1
79 1 32 GLU H 1 32 GLU QG 4.000 . 4.750 2.480 1.915 3.289 . 0 0 "[ . 1 . 2]" 1
80 1 33 GLU H 1 33 GLU HA 3.000 . 3.500 2.821 2.779 2.845 . 0 0 "[ . 1 . 2]" 1
81 1 33 GLU H 1 33 GLU QB 3.000 . 3.500 2.264 2.060 2.685 . 0 0 "[ . 1 . 2]" 1
82 1 33 GLU H 1 33 GLU QG 4.000 . 4.750 3.444 1.973 4.039 . 0 0 "[ . 1 . 2]" 1
83 1 34 ASP H 1 34 ASP HA 3.000 . 3.500 2.868 2.847 2.881 . 0 0 "[ . 1 . 2]" 1
84 1 35 MET H 1 35 MET ME 5.000 . 6.000 4.582 3.068 5.702 . 0 0 "[ . 1 . 2]" 1
85 1 35 MET HA 1 35 MET ME 5.000 . 6.000 2.540 1.780 3.961 0.020 11 0 "[ . 1 . 2]" 1
86 1 35 MET ME 1 35 MET QG 3.000 . 3.500 2.195 1.973 2.556 . 0 0 "[ . 1 . 2]" 1
87 1 36 VAL H 1 36 VAL HB 3.000 . 3.500 2.336 2.285 2.396 . 0 0 "[ . 1 . 2]" 1
88 1 36 VAL H 1 36 VAL MG2 4.000 . 4.750 2.385 2.218 2.513 . 0 0 "[ . 1 . 2]" 1
89 1 36 VAL HA 1 36 VAL HB 3.000 . 3.500 3.006 2.998 3.016 . 0 0 "[ . 1 . 2]" 1
90 1 36 VAL HA 1 36 VAL MG1 3.000 . 3.500 2.554 2.490 2.600 . 0 0 "[ . 1 . 2]" 1
91 1 36 VAL HA 1 36 VAL MG2 3.000 . 3.500 2.272 2.181 2.338 . 0 0 "[ . 1 . 2]" 1
92 1 37 THR H 1 37 THR HB 3.000 . 3.500 2.473 2.097 3.453 . 0 0 "[ . 1 . 2]" 1
93 1 38 VAL H 1 38 VAL HB 4.000 . 4.750 2.545 2.470 2.617 . 0 0 "[ . 1 . 2]" 1
94 1 38 VAL H 1 38 VAL MG2 4.000 . 4.750 2.213 2.109 2.317 . 0 0 "[ . 1 . 2]" 1
95 1 39 VAL H 1 39 VAL MG2 4.000 . 4.750 2.207 2.029 2.382 . 0 0 "[ . 1 . 2]" 1
96 1 40 GLU H 1 40 GLU QB 3.000 . 3.500 2.135 2.035 2.713 . 0 0 "[ . 1 . 2]" 1
97 1 40 GLU H 1 40 GLU QG 3.000 . 3.500 3.156 1.794 3.532 0.032 9 0 "[ . 1 . 2]" 1
98 1 40 GLU HA 1 40 GLU QB 2.500 . 2.800 2.492 2.171 2.540 . 0 0 "[ . 1 . 2]" 1
99 1 42 TRP H 1 42 TRP HB3 4.000 . 4.750 3.569 3.536 3.598 . 0 0 "[ . 1 . 2]" 1
100 1 42 TRP H 1 42 TRP HB2 4.000 . 4.750 2.329 2.244 2.446 . 0 0 "[ . 1 . 2]" 1
101 1 42 TRP H 1 42 TRP HD1 4.000 . 4.750 3.444 3.031 3.811 . 0 0 "[ . 1 . 2]" 1
102 1 42 TRP HA 1 42 TRP HD1 3.000 . 3.500 2.036 1.953 2.136 . 0 0 "[ . 1 . 2]" 1
103 1 42 TRP HA 1 42 TRP HE1 5.000 . 6.000 4.541 4.466 4.644 . 0 0 "[ . 1 . 2]" 1
104 1 43 MET H 1 43 MET ME 5.000 . 6.000 3.751 3.397 4.433 . 0 0 "[ . 1 . 2]" 1
105 1 43 MET H 1 43 MET QG 4.000 . 4.750 2.334 1.800 3.928 0.000 8 0 "[ . 1 . 2]" 1
106 1 43 MET HA 1 43 MET ME 5.000 . 6.000 4.592 4.128 5.262 . 0 0 "[ . 1 . 2]" 1
107 1 43 MET HA 1 43 MET QG 3.000 . 3.500 2.951 2.055 3.343 . 0 0 "[ . 1 . 2]" 1
108 1 44 ASN H 1 44 ASN QB 3.000 . 3.500 2.149 2.052 2.489 . 0 0 "[ . 1 . 2]" 1
109 1 44 ASN H 1 44 ASN QD 5.000 . 6.000 3.663 2.423 4.723 . 0 0 "[ . 1 . 2]" 1
110 1 44 ASN HA 1 44 ASN QD 4.000 . 4.750 3.506 1.982 4.251 . 0 0 "[ . 1 . 2]" 1
111 1 45 PHE H 1 45 PHE QD 4.000 . 4.750 3.226 3.062 3.425 . 0 0 "[ . 1 . 2]" 1
112 1 46 TYR H 1 46 TYR QD 4.000 . 4.750 3.309 2.904 3.604 . 0 0 "[ . 1 . 2]" 1
113 1 46 TYR HA 1 46 TYR QD 3.000 . 3.500 2.180 1.938 2.527 . 0 0 "[ . 1 . 2]" 1
114 1 47 ILE H 1 47 ILE HB 3.000 . 3.500 2.520 2.445 2.576 . 0 0 "[ . 1 . 2]" 1
115 1 47 ILE H 1 47 ILE MG 4.000 . 4.750 2.122 2.059 2.175 . 0 0 "[ . 1 . 2]" 1
116 1 47 ILE H 1 47 ILE MD 4.000 . 4.750 4.314 4.109 4.411 . 0 0 "[ . 1 . 2]" 1
117 1 47 ILE H 1 47 ILE QG 4.000 . 4.750 3.993 3.971 4.031 . 0 0 "[ . 1 . 2]" 1
118 1 48 ASN H 1 48 ASN QB 3.000 . 3.500 2.302 2.109 2.668 . 0 0 "[ . 1 . 2]" 1
119 1 49 TYR H 1 49 TYR HA 3.000 . 3.500 2.830 2.785 2.852 . 0 0 "[ . 1 . 2]" 1
120 1 49 TYR H 1 49 TYR HB3 3.000 . 3.500 2.351 2.171 2.677 . 0 0 "[ . 1 . 2]" 1
121 1 49 TYR H 1 49 TYR HB2 3.000 . 3.500 2.619 2.260 2.863 . 0 0 "[ . 1 . 2]" 1
122 1 49 TYR H 1 49 TYR QD 4.000 . 4.750 4.143 4.096 4.169 . 0 0 "[ . 1 . 2]" 1
123 1 49 TYR HA 1 49 TYR HB3 3.000 . 3.500 3.012 2.990 3.027 . 0 0 "[ . 1 . 2]" 1
124 1 49 TYR HA 1 49 TYR HB2 2.500 . 2.800 2.407 2.323 2.557 . 0 0 "[ . 1 . 2]" 1
125 1 49 TYR HA 1 49 TYR QD 3.000 . 3.500 2.547 2.213 3.191 . 0 0 "[ . 1 . 2]" 1
126 1 49 TYR HA 1 49 TYR QE 4.000 . 4.750 4.659 4.543 4.785 0.035 2 0 "[ . 1 . 2]" 1
127 1 49 TYR HB3 1 49 TYR QD 3.000 . 3.500 2.398 2.253 2.682 . 0 0 "[ . 1 . 2]" 1
128 1 49 TYR HB2 1 49 TYR QD 3.000 . 3.500 2.607 2.245 2.759 . 0 0 "[ . 1 . 2]" 1
129 1 50 TYR H 1 50 TYR QB 3.000 . 3.500 2.308 2.116 2.592 . 0 0 "[ . 1 . 2]" 1
130 1 50 TYR H 1 50 TYR QD 3.000 . 3.500 3.165 1.995 3.507 0.007 16 0 "[ . 1 . 2]" 1
131 1 50 TYR H 1 50 TYR QE 5.000 . 6.000 4.770 4.158 5.233 . 0 0 "[ . 1 . 2]" 1
132 1 50 TYR HA 1 50 TYR QD 3.000 . 3.500 2.140 1.805 2.807 . 0 0 "[ . 1 . 2]" 1
133 1 50 TYR HA 1 50 TYR QE 4.000 . 4.750 4.272 4.101 4.544 . 0 0 "[ . 1 . 2]" 1
134 1 51 ARG H 1 51 ARG QB 3.000 . 3.500 2.232 2.030 2.480 . 0 0 "[ . 1 . 2]" 1
135 1 51 ARG H 1 51 ARG QG 4.000 . 4.750 3.321 2.289 4.005 . 0 0 "[ . 1 . 2]" 1
136 1 51 ARG H 1 51 ARG QD 5.000 . 6.000 4.241 3.132 4.674 . 0 0 "[ . 1 . 2]" 1
137 1 52 GLN H 1 52 GLN HA 3.000 . 3.500 2.917 2.851 2.942 . 0 0 "[ . 1 . 2]" 1
138 1 52 GLN H 1 52 GLN QB 3.000 . 3.500 2.249 2.114 2.343 . 0 0 "[ . 1 . 2]" 1
139 1 52 GLN H 1 52 GLN QG 3.000 . 3.500 3.304 2.696 3.546 0.046 10 0 "[ . 1 . 2]" 1
140 1 52 GLN HA 1 52 GLN QG 3.000 . 3.500 2.613 2.101 3.224 . 0 0 "[ . 1 . 2]" 1
141 1 53 GLN H 1 53 GLN QG 4.000 . 4.750 3.277 1.787 4.168 0.013 5 0 "[ . 1 . 2]" 1
142 1 53 GLN HA 1 53 GLN QG 3.000 . 3.500 2.792 2.143 3.371 . 0 0 "[ . 1 . 2]" 1
143 1 53 GLN HA 1 53 GLN QE 5.000 . 6.000 3.669 2.381 5.414 . 0 0 "[ . 1 . 2]" 1
144 1 54 VAL H 1 54 VAL HB 3.000 . 3.500 3.113 2.821 3.523 0.023 15 0 "[ . 1 . 2]" 1
145 1 54 VAL H 1 54 VAL MG1 4.000 . 4.750 3.872 3.647 4.048 . 0 0 "[ . 1 . 2]" 1
146 1 54 VAL H 1 54 VAL MG2 3.000 . 3.500 2.218 1.783 2.599 0.017 4 0 "[ . 1 . 2]" 1
147 1 54 VAL HA 1 54 VAL HB 3.000 . 3.500 2.957 2.908 3.007 . 0 0 "[ . 1 . 2]" 1
148 1 54 VAL HA 1 54 VAL MG1 3.000 . 3.500 2.045 1.935 2.340 . 0 0 "[ . 1 . 2]" 1
149 1 54 VAL HA 1 54 VAL MG2 3.000 . 3.500 2.699 2.348 2.880 . 0 0 "[ . 1 . 2]" 1
150 1 55 THR H 1 55 THR HB 4.000 . 4.750 3.691 2.794 4.013 . 0 0 "[ . 1 . 2]" 1
151 1 55 THR H 1 55 THR MG 4.000 . 4.750 3.197 2.176 3.915 . 0 0 "[ . 1 . 2]" 1
152 1 55 THR HA 1 55 THR HB 3.000 . 3.500 2.571 2.228 3.014 . 0 0 "[ . 1 . 2]" 1
153 1 57 GLU H 1 57 GLU QB 3.000 . 3.500 2.433 2.083 2.896 . 0 0 "[ . 1 . 2]" 1
154 1 59 GLN H 1 59 GLN HA 3.000 . 3.500 2.810 2.752 2.843 . 0 0 "[ . 1 . 2]" 1
155 1 59 GLN H 1 59 GLN QB 3.000 . 3.500 2.294 2.021 2.632 . 0 0 "[ . 1 . 2]" 1
156 1 59 GLN H 1 59 GLN QG 3.000 . 3.500 2.700 1.959 3.520 0.020 16 0 "[ . 1 . 2]" 1
157 1 59 GLN HA 1 59 GLN QG 3.000 . 3.500 2.639 2.008 3.403 . 0 0 "[ . 1 . 2]" 1
158 1 60 GLU H 1 60 GLU HA 3.000 . 3.500 2.822 2.799 2.849 . 0 0 "[ . 1 . 2]" 1
159 1 60 GLU H 1 60 GLU QB 3.000 . 3.500 2.157 2.049 2.379 . 0 0 "[ . 1 . 2]" 1
160 1 60 GLU H 1 60 GLU QG 4.000 . 4.750 3.426 2.367 4.008 . 0 0 "[ . 1 . 2]" 1
161 1 61 ARG H 1 61 ARG QD 4.000 . 4.750 3.523 2.328 4.089 . 0 0 "[ . 1 . 2]" 1
162 1 61 ARG HA 1 61 ARG QD 4.000 . 4.750 4.008 3.478 4.490 . 0 0 "[ . 1 . 2]" 1
163 1 62 ASP H 1 62 ASP HA 3.000 . 3.500 2.766 2.752 2.797 . 0 0 "[ . 1 . 2]" 1
164 1 62 ASP H 1 62 ASP QB 3.000 . 3.500 2.154 2.052 2.335 . 0 0 "[ . 1 . 2]" 1
165 1 63 LYS H 1 63 LYS HA 3.000 . 3.500 2.828 2.769 2.884 . 0 0 "[ . 1 . 2]" 1
166 1 63 LYS H 1 63 LYS QB 3.000 . 3.500 2.185 2.039 2.302 . 0 0 "[ . 1 . 2]" 1
167 1 63 LYS H 1 63 LYS QG 4.000 . 4.750 3.792 2.928 4.021 . 0 0 "[ . 1 . 2]" 1
168 1 64 ALA H 1 64 ALA HA 3.000 . 3.500 2.822 2.787 2.870 . 0 0 "[ . 1 . 2]" 1
169 1 65 LEU H 1 65 LEU HA 3.000 . 3.500 2.807 2.778 2.841 . 0 0 "[ . 1 . 2]" 1
170 1 65 LEU H 1 65 LEU HB3 3.000 . 3.500 3.447 3.361 3.523 0.023 8 0 "[ . 1 . 2]" 1
171 1 65 LEU H 1 65 LEU HB2 3.000 . 3.500 2.146 2.085 2.261 . 0 0 "[ . 1 . 2]" 1
172 1 65 LEU H 1 65 LEU MD1 4.000 . 4.750 2.484 2.011 3.971 . 0 0 "[ . 1 . 2]" 1
173 1 65 LEU H 1 65 LEU MD2 4.000 . 4.750 3.403 2.143 3.875 . 0 0 "[ . 1 . 2]" 1
174 1 65 LEU HA 1 65 LEU HB3 3.000 . 3.500 2.698 2.595 2.775 . 0 0 "[ . 1 . 2]" 1
175 1 65 LEU HA 1 65 LEU HB2 3.000 . 3.500 2.951 2.912 2.997 . 0 0 "[ . 1 . 2]" 1
176 1 65 LEU HA 1 65 LEU MD1 3.000 . 3.500 2.066 1.804 2.238 . 0 0 "[ . 1 . 2]" 1
177 1 65 LEU HA 1 65 LEU MD2 4.000 . 4.750 3.625 2.273 3.817 . 0 0 "[ . 1 . 2]" 1
178 1 65 LEU HB2 1 65 LEU MD1 3.000 . 3.500 2.651 2.459 3.189 . 0 0 "[ . 1 . 2]" 1
179 1 65 LEU HB2 1 65 LEU MD2 3.000 . 3.500 2.167 1.965 2.479 . 0 0 "[ . 1 . 2]" 1
180 1 66 GLN H 1 66 GLN HA 3.000 . 3.500 2.858 2.837 2.873 . 0 0 "[ . 1 . 2]" 1
181 1 66 GLN H 1 66 GLN QB 3.000 . 3.500 2.605 2.499 2.753 . 0 0 "[ . 1 . 2]" 1
182 1 66 GLN H 1 66 GLN QG 4.000 . 4.750 2.046 1.854 2.363 . 0 0 "[ . 1 . 2]" 1
183 1 67 GLU H 1 67 GLU HA 2.500 . 2.800 2.810 2.795 2.837 0.037 6 0 "[ . 1 . 2]" 1
184 1 67 GLU H 1 67 GLU QB 3.000 . 3.500 2.140 2.056 2.231 . 0 0 "[ . 1 . 2]" 1
185 1 68 LEU H 1 68 LEU HA 3.000 . 3.500 2.834 2.817 2.859 . 0 0 "[ . 1 . 2]" 1
186 1 68 LEU H 1 68 LEU QB 3.000 . 3.500 2.104 2.031 2.243 . 0 0 "[ . 1 . 2]" 1
187 1 68 LEU H 1 68 LEU QD 4.000 . 4.750 3.147 2.508 3.713 . 0 0 "[ . 1 . 2]" 1
188 1 69 ARG H 1 69 ARG QB 3.000 . 3.500 2.233 2.051 2.582 . 0 0 "[ . 1 . 2]" 1
189 1 69 ARG H 1 69 ARG QD 5.000 . 6.000 4.370 3.739 4.855 . 0 0 "[ . 1 . 2]" 1
190 1 69 ARG HA 1 69 ARG QG 3.000 . 3.500 2.529 2.033 3.362 . 0 0 "[ . 1 . 2]" 1
191 1 69 ARG HA 1 69 ARG QD 4.000 . 4.750 3.699 2.118 4.559 . 0 0 "[ . 1 . 2]" 1
192 1 70 GLN H 1 70 GLN HA 3.000 . 3.500 2.836 2.791 2.864 . 0 0 "[ . 1 . 2]" 1
193 1 70 GLN H 1 70 GLN QB 3.000 . 3.500 2.236 2.054 2.747 . 0 0 "[ . 1 . 2]" 1
194 1 70 GLN H 1 70 GLN QG 4.000 . 4.750 3.579 1.905 4.048 . 0 0 "[ . 1 . 2]" 1
195 1 70 GLN HA 1 70 GLN QB 2.500 . 2.800 2.423 2.171 2.538 . 0 0 "[ . 1 . 2]" 1
196 1 70 GLN HA 1 70 GLN QG 3.000 . 3.500 2.437 2.026 3.347 . 0 0 "[ . 1 . 2]" 1
197 1 70 GLN HA 1 70 GLN QE 5.000 . 6.000 4.225 2.764 4.847 . 0 0 "[ . 1 . 2]" 1
198 1 71 GLU H 1 71 GLU QB 3.000 . 3.500 2.143 2.035 2.297 . 0 0 "[ . 1 . 2]" 1
199 1 72 LEU H 1 72 LEU HA 3.000 . 3.500 2.840 2.825 2.857 . 0 0 "[ . 1 . 2]" 1
200 1 72 LEU H 1 72 LEU HG 4.000 . 4.750 2.382 1.929 4.577 . 0 0 "[ . 1 . 2]" 1
201 1 72 LEU H 1 72 LEU MD1 5.000 . 6.000 3.115 2.865 4.042 . 0 0 "[ . 1 . 2]" 1
202 1 72 LEU H 1 72 LEU MD2 5.000 . 6.000 3.743 3.476 4.083 . 0 0 "[ . 1 . 2]" 1
203 1 72 LEU HA 1 72 LEU MD1 4.000 . 4.750 3.889 3.390 3.980 . 0 0 "[ . 1 . 2]" 1
204 1 72 LEU HA 1 72 LEU MD2 3.000 . 3.500 2.552 2.072 2.772 . 0 0 "[ . 1 . 2]" 1
205 1 73 ASN H 1 73 ASN HA 3.000 . 3.500 2.753 2.746 2.769 . 0 0 "[ . 1 . 2]" 1
206 1 73 ASN HA 1 73 ASN QB 2.500 . 2.800 2.471 2.152 2.542 . 0 0 "[ . 1 . 2]" 1
207 1 74 THR H 1 74 THR HA 3.000 . 3.500 2.895 2.858 2.912 . 0 0 "[ . 1 . 2]" 1
208 1 74 THR H 1 74 THR HB 3.000 . 3.500 2.906 2.444 3.514 0.014 2 0 "[ . 1 . 2]" 1
209 1 75 LEU H 1 75 LEU HB3 4.000 . 4.750 3.564 3.543 3.598 . 0 0 "[ . 1 . 2]" 1
210 1 75 LEU H 1 75 LEU HB2 4.000 . 4.750 2.343 2.309 2.417 . 0 0 "[ . 1 . 2]" 1
211 1 75 LEU H 1 75 LEU HG 4.000 . 4.750 2.551 2.459 2.650 . 0 0 "[ . 1 . 2]" 1
212 1 75 LEU H 1 75 LEU MD1 5.000 . 6.000 3.749 3.555 3.879 . 0 0 "[ . 1 . 2]" 1
213 1 75 LEU HB3 1 75 LEU MD2 3.000 . 3.500 2.368 2.332 2.447 . 0 0 "[ . 1 . 2]" 1
214 1 77 ASN H 1 77 ASN HA 3.000 . 3.500 2.741 2.725 2.754 . 0 0 "[ . 1 . 2]" 1
215 1 77 ASN HA 1 77 ASN QB 2.500 . 2.800 2.461 2.159 2.538 . 0 0 "[ . 1 . 2]" 1
216 1 79 PHE H 1 79 PHE HA 3.000 . 3.500 2.849 2.831 2.865 . 0 0 "[ . 1 . 2]" 1
217 1 79 PHE H 1 79 PHE HB3 4.000 . 4.750 2.521 2.305 2.639 . 0 0 "[ . 1 . 2]" 1
218 1 79 PHE H 1 79 PHE HB2 3.000 . 3.500 2.477 2.314 2.662 . 0 0 "[ . 1 . 2]" 1
219 1 79 PHE HA 1 79 PHE QD 3.000 . 3.500 2.483 1.921 3.275 . 0 0 "[ . 1 . 2]" 1
220 1 79 PHE HB2 1 79 PHE QD 3.000 . 3.500 2.469 2.237 2.687 . 0 0 "[ . 1 . 2]" 1
221 1 80 LEU H 1 80 LEU MD1 5.000 . 6.000 3.592 3.330 3.836 . 0 0 "[ . 1 . 2]" 1
222 1 80 LEU H 1 80 LEU MD2 5.000 . 6.000 2.955 2.051 3.486 . 0 0 "[ . 1 . 2]" 1
223 1 80 LEU HA 1 80 LEU MD1 4.000 . 4.750 3.487 1.878 3.956 . 0 0 "[ . 1 . 2]" 1
224 1 80 LEU HA 1 80 LEU MD2 3.000 . 3.500 2.235 1.975 2.656 . 0 0 "[ . 1 . 2]" 1
225 1 81 ALA H 1 81 ALA HA 3.000 . 3.500 2.817 2.783 2.859 . 0 0 "[ . 1 . 2]" 1
226 1 82 LYS H 1 82 LYS HA 3.000 . 3.500 2.811 2.796 2.830 . 0 0 "[ . 1 . 2]" 1
227 1 83 TYR H 1 83 TYR HB3 4.000 . 4.750 2.915 2.562 3.136 . 0 0 "[ . 1 . 2]" 1
228 1 83 TYR HA 1 83 TYR QD 4.000 . 4.750 2.463 1.894 2.900 . 0 0 "[ . 1 . 2]" 1
229 1 83 TYR HA 1 83 TYR QE 5.000 . 6.000 4.315 4.093 4.459 . 0 0 "[ . 1 . 2]" 1
230 1 84 ARG H 1 84 ARG QB 3.000 . 3.500 2.307 2.051 2.616 . 0 0 "[ . 1 . 2]" 1
231 1 84 ARG H 1 84 ARG QG 3.000 . 3.500 2.654 1.937 3.514 0.014 6 0 "[ . 1 . 2]" 1
232 1 84 ARG HA 1 84 ARG QG 3.000 . 3.500 2.711 2.062 3.445 . 0 0 "[ . 1 . 2]" 1
233 1 86 PHE H 1 86 PHE HB3 4.000 . 4.750 2.324 2.192 2.470 . 0 0 "[ . 1 . 2]" 1
234 1 86 PHE H 1 86 PHE HB2 3.000 . 3.500 2.748 2.637 2.937 . 0 0 "[ . 1 . 2]" 1
235 1 86 PHE HA 1 86 PHE QD 4.000 . 4.750 2.896 2.493 3.224 . 0 0 "[ . 1 . 2]" 1
236 1 86 PHE HB3 1 86 PHE QD 3.000 . 3.500 2.363 2.276 2.501 . 0 0 "[ . 1 . 2]" 1
237 1 86 PHE HB2 1 86 PHE QD 3.000 . 3.500 2.444 2.307 2.667 . 0 0 "[ . 1 . 2]" 1
238 1 87 LEU H 1 87 LEU HG 4.000 . 4.750 4.158 1.785 4.584 0.015 16 0 "[ . 1 . 2]" 1
239 1 87 LEU HA 1 87 LEU HG 4.000 . 4.750 2.892 2.150 3.699 . 0 0 "[ . 1 . 2]" 1
240 1 87 LEU HA 1 87 LEU QD 4.000 . 4.750 2.397 1.893 3.439 . 0 0 "[ . 1 . 2]" 1
241 1 88 LYS H 1 88 LYS HA 3.000 . 3.500 2.839 2.799 2.861 . 0 0 "[ . 1 . 2]" 1
242 1 88 LYS H 1 88 LYS QB 3.000 . 3.500 2.226 2.050 2.537 . 0 0 "[ . 1 . 2]" 1
243 1 90 HIS HA 1 90 HIS HD2 5.000 . 6.000 4.006 2.126 4.864 . 0 0 "[ . 1 . 2]" 1
244 1 91 GLU H 1 91 GLU HA 3.000 . 3.500 2.691 2.263 2.945 . 0 0 "[ . 1 . 2]" 1
245 1 91 GLU H 1 91 GLU QB 3.000 . 3.500 2.865 2.063 3.491 . 0 0 "[ . 1 . 2]" 1
246 1 92 LEU H 1 92 LEU HA 3.000 . 3.500 2.665 2.273 2.940 . 0 0 "[ . 1 . 2]" 1
247 1 92 LEU H 1 92 LEU HG 3.000 . 3.500 2.710 1.928 3.511 0.011 1 0 "[ . 1 . 2]" 1
248 1 92 LEU H 1 92 LEU QB 3.000 . 3.500 2.858 2.273 3.408 . 0 0 "[ . 1 . 2]" 1
249 1 1 LEU HA 1 2 LEU H 3.000 . 3.500 2.936 2.151 3.550 0.050 15 0 "[ . 1 . 2]" 1
250 1 1 LEU QB 1 2 LEU H 4.000 . 4.750 2.826 1.946 4.013 . 0 0 "[ . 1 . 2]" 1
251 1 1 LEU QD 1 2 LEU H 5.000 . 6.000 3.402 1.999 4.491 . 0 0 "[ . 1 . 2]" 1
252 1 2 LEU H 1 3 LYS H 5.000 . 6.000 3.733 1.940 4.640 . 0 0 "[ . 1 . 2]" 1
253 1 2 LEU HA 1 3 LYS H 3.000 . 3.500 2.789 2.193 3.561 0.061 7 0 "[ . 1 . 2]" 1
254 1 2 LEU QB 1 3 LYS H 4.000 . 4.750 2.737 1.875 4.021 . 0 0 "[ . 1 . 2]" 1
255 1 3 LYS H 1 4 ALA H 3.000 . 3.500 2.628 2.455 2.822 . 0 0 "[ . 1 . 2]" 1
256 1 3 LYS HA 1 4 ALA H 3.000 . 3.500 3.467 3.382 3.528 0.028 15 0 "[ . 1 . 2]" 1
257 1 3 LYS QB 1 4 ALA H 3.000 . 3.500 2.849 2.582 3.519 0.019 20 0 "[ . 1 . 2]" 1
258 1 3 LYS QG 1 4 ALA H 4.000 . 4.750 4.055 2.130 4.692 . 0 0 "[ . 1 . 2]" 1
259 1 4 ALA H 1 5 ASN H 3.000 . 3.500 2.773 2.584 2.853 . 0 0 "[ . 1 . 2]" 1
260 1 4 ALA HA 1 5 ASN H 4.000 . 4.750 3.546 3.521 3.564 . 0 0 "[ . 1 . 2]" 1
261 1 4 ALA MB 1 5 ASN H 4.000 . 4.750 2.541 2.437 2.672 . 0 0 "[ . 1 . 2]" 1
262 1 5 ASN H 1 6 LYS H 3.000 . 3.500 2.726 2.551 2.841 . 0 0 "[ . 1 . 2]" 1
263 1 5 ASN QB 1 6 LYS H 3.000 . 3.500 2.520 2.218 3.327 . 0 0 "[ . 1 . 2]" 1
264 1 6 LYS H 1 7 ASP H 3.000 . 3.500 2.676 2.564 2.790 . 0 0 "[ . 1 . 2]" 1
265 1 6 LYS HA 1 7 ASP H 3.000 . 3.500 3.500 3.478 3.538 0.038 14 0 "[ . 1 . 2]" 1
266 1 6 LYS QB 1 7 ASP H 4.000 . 4.750 2.843 2.646 2.949 . 0 0 "[ . 1 . 2]" 1
267 1 7 ASP H 1 8 LEU H 4.000 . 4.750 2.598 2.438 2.721 . 0 0 "[ . 1 . 2]" 1
268 1 7 ASP HA 1 8 LEU H 4.000 . 4.750 3.548 3.500 3.576 . 0 0 "[ . 1 . 2]" 1
269 1 7 ASP QB 1 8 LEU H 4.000 . 4.750 2.768 2.462 3.347 . 0 0 "[ . 1 . 2]" 1
270 1 8 LEU H 1 9 ILE H 3.000 . 3.500 2.703 2.593 2.758 . 0 0 "[ . 1 . 2]" 1
271 1 8 LEU MD1 1 9 ILE H 5.000 . 6.000 4.167 2.708 4.800 . 0 0 "[ . 1 . 2]" 1
272 1 8 LEU MD1 1 9 ILE HA 5.000 . 6.000 4.406 2.586 5.557 . 0 0 "[ . 1 . 2]" 1
273 1 8 LEU QB 1 9 ILE H 3.000 . 3.500 2.460 2.384 2.598 . 0 0 "[ . 1 . 2]" 1
274 1 9 ILE H 1 10 SER H 3.000 . 3.500 2.799 2.751 2.851 . 0 0 "[ . 1 . 2]" 1
275 1 9 ILE HA 1 10 SER H 4.000 . 4.750 3.590 3.568 3.604 . 0 0 "[ . 1 . 2]" 1
276 1 9 ILE HB 1 10 SER H 3.000 . 3.500 2.678 2.238 3.556 0.056 4 0 "[ . 1 . 2]" 1
277 1 9 ILE MG 1 10 SER H 4.000 . 4.750 2.820 1.839 3.421 . 0 0 "[ . 1 . 2]" 1
278 1 10 SER H 1 11 ALA H 3.000 . 3.500 2.754 2.643 2.843 . 0 0 "[ . 1 . 2]" 1
279 1 10 SER HA 1 11 ALA H 3.000 . 3.500 3.502 3.484 3.522 0.022 14 0 "[ . 1 . 2]" 1
280 1 10 SER QB 1 11 ALA H 3.000 . 3.500 2.851 2.582 3.502 0.002 13 0 "[ . 1 . 2]" 1
281 1 11 ALA H 1 12 GLY H 3.000 . 3.500 2.642 2.563 2.723 . 0 0 "[ . 1 . 2]" 1
282 1 11 ALA HA 1 12 GLY H 3.000 . 3.500 3.527 3.487 3.551 0.051 13 0 "[ . 1 . 2]" 1
283 1 11 ALA MB 1 12 GLY H 3.000 . 3.500 2.605 2.408 2.800 . 0 0 "[ . 1 . 2]" 1
284 1 12 GLY QA 1 13 LEU H 3.000 . 3.500 2.643 2.498 2.775 . 0 0 "[ . 1 . 2]" 1
285 1 13 LEU H 1 14 LYS H 3.000 . 3.500 2.867 2.665 3.008 . 0 0 "[ . 1 . 2]" 1
286 1 13 LEU HA 1 14 LYS H 3.000 . 3.500 3.562 3.551 3.576 0.076 2 0 "[ . 1 . 2]" 1
287 1 13 LEU HB3 1 14 LYS H 3.000 . 3.500 2.740 2.599 2.959 . 0 0 "[ . 1 . 2]" 1
288 1 13 LEU HB2 1 14 LYS H 4.000 . 4.750 2.620 2.352 2.754 . 0 0 "[ . 1 . 2]" 1
289 1 14 LYS H 1 15 GLU H 3.000 . 3.500 2.671 2.527 2.778 . 0 0 "[ . 1 . 2]" 1
290 1 14 LYS HA 1 15 GLU H 3.000 . 3.500 3.489 3.462 3.531 0.031 5 0 "[ . 1 . 2]" 1
291 1 14 LYS QB 1 15 GLU H 3.000 . 3.500 2.924 2.530 3.531 0.031 9 0 "[ . 1 . 2]" 1
292 1 14 LYS QG 1 15 GLU H 4.000 . 4.750 3.952 2.061 4.611 . 0 0 "[ . 1 . 2]" 1
293 1 14 LYS QD 1 15 GLU H 4.000 . 4.750 4.448 3.155 4.817 0.067 20 0 "[ . 1 . 2]" 1
294 1 15 GLU H 1 16 PHE H 3.000 . 3.500 2.657 2.525 2.761 . 0 0 "[ . 1 . 2]" 1
295 1 15 GLU HA 1 16 PHE H 3.000 . 3.500 3.546 3.526 3.561 0.061 18 0 "[ . 1 . 2]" 1
296 1 15 GLU QB 1 16 PHE H 3.000 . 3.500 2.639 2.361 3.468 . 0 0 "[ . 1 . 2]" 1
297 1 16 PHE H 1 17 SER H 3.000 . 3.500 2.544 2.424 2.757 . 0 0 "[ . 1 . 2]" 1
298 1 16 PHE QD 1 17 SER H 4.000 . 4.750 4.346 4.112 4.490 . 0 0 "[ . 1 . 2]" 1
299 1 17 SER H 1 18 VAL H 4.000 . 4.750 2.757 2.649 2.863 . 0 0 "[ . 1 . 2]" 1
300 1 17 SER HA 1 18 VAL H 5.000 . 6.000 3.559 3.543 3.569 . 0 0 "[ . 1 . 2]" 1
301 1 17 SER QB 1 18 VAL H 3.000 . 3.500 2.744 2.323 3.328 . 0 0 "[ . 1 . 2]" 1
302 1 18 VAL H 1 19 LEU H 3.000 . 3.500 2.620 2.522 2.681 . 0 0 "[ . 1 . 2]" 1
303 1 18 VAL HB 1 19 LEU H 3.000 . 3.500 2.646 2.515 2.859 . 0 0 "[ . 1 . 2]" 1
304 1 19 LEU H 1 20 LEU H 4.000 . 4.750 2.631 2.404 2.730 . 0 0 "[ . 1 . 2]" 1
305 1 19 LEU HG 1 20 LEU MD2 5.000 . 6.000 4.372 3.854 5.227 . 0 0 "[ . 1 . 2]" 1
306 1 19 LEU MD1 1 20 LEU HA 5.000 . 6.000 5.036 4.015 5.669 . 0 0 "[ . 1 . 2]" 1
307 1 19 LEU MD1 1 20 LEU MD2 5.000 . 6.000 5.322 4.713 5.918 . 0 0 "[ . 1 . 2]" 1
308 1 19 LEU MD2 1 20 LEU H 5.000 . 6.000 4.180 3.712 4.639 . 0 0 "[ . 1 . 2]" 1
309 1 19 LEU MD2 1 20 LEU HA 5.000 . 6.000 4.537 3.841 5.260 . 0 0 "[ . 1 . 2]" 1
310 1 19 LEU MD2 1 20 LEU MD1 5.000 . 6.000 4.825 4.244 5.798 . 0 0 "[ . 1 . 2]" 1
311 1 19 LEU MD2 1 20 LEU MD2 5.000 . 6.000 3.923 3.052 4.793 . 0 0 "[ . 1 . 2]" 1
312 1 19 LEU QB 1 20 LEU H 5.000 . 6.000 2.562 2.409 2.770 . 0 0 "[ . 1 . 2]" 1
313 1 20 LEU H 1 21 ASN H 3.000 . 3.500 2.606 2.419 2.766 . 0 0 "[ . 1 . 2]" 1
314 1 20 LEU HA 1 21 ASN H 5.000 . 6.000 3.536 3.449 3.569 . 0 0 "[ . 1 . 2]" 1
315 1 20 LEU MD1 1 21 ASN H 5.000 . 6.000 4.292 3.040 4.863 . 0 0 "[ . 1 . 2]" 1
316 1 20 LEU MD2 1 21 ASN H 5.000 . 6.000 4.696 4.062 4.913 . 0 0 "[ . 1 . 2]" 1
317 1 21 ASN H 1 22 GLN H 4.000 . 4.750 2.580 2.410 2.761 . 0 0 "[ . 1 . 2]" 1
318 1 22 GLN H 1 23 GLN H 3.000 . 3.500 2.706 2.570 2.898 . 0 0 "[ . 1 . 2]" 1
319 1 22 GLN HA 1 23 GLN H 4.000 . 4.750 3.186 2.858 3.456 . 0 0 "[ . 1 . 2]" 1
320 1 23 GLN HA 1 24 VAL H 3.000 . 3.500 2.152 2.081 2.206 . 0 0 "[ . 1 . 2]" 1
321 1 23 GLN HA 1 24 VAL MG1 4.000 . 4.750 3.864 3.626 4.287 . 0 0 "[ . 1 . 2]" 1
322 1 24 VAL HA 1 25 PHE H 3.000 . 3.500 2.203 2.146 2.317 . 0 0 "[ . 1 . 2]" 1
323 1 24 VAL MG1 1 25 PHE H 4.000 . 4.750 3.990 3.613 4.178 . 0 0 "[ . 1 . 2]" 1
324 1 24 VAL MG2 1 25 PHE H 5.000 . 6.000 3.285 2.006 4.269 . 0 0 "[ . 1 . 2]" 1
325 1 25 PHE HA 1 26 ASN H 4.000 . 4.750 2.183 2.080 2.273 . 0 0 "[ . 1 . 2]" 1
326 1 25 PHE QD 1 26 ASN H 5.000 . 6.000 4.297 3.875 4.656 . 0 0 "[ . 1 . 2]" 1
327 1 26 ASN H 1 27 ASP H 4.000 . 4.750 2.943 1.903 3.430 . 0 0 "[ . 1 . 2]" 1
328 1 26 ASN H 1 27 ASP HA 5.000 . 6.000 4.914 4.355 5.433 . 0 0 "[ . 1 . 2]" 1
329 1 26 ASN HA 1 27 ASP H 5.000 . 6.000 3.530 3.473 3.569 . 0 0 "[ . 1 . 2]" 1
330 1 27 ASP HA 1 28 PRO QG 4.000 . 4.750 4.108 3.761 4.347 . 0 0 "[ . 1 . 2]" 1
331 1 27 ASP HA 1 28 PRO QD 4.000 . 4.750 2.213 1.852 2.440 . 0 0 "[ . 1 . 2]" 1
332 1 28 PRO QD 1 29 LEU H 5.000 . 6.000 3.954 3.134 4.914 . 0 0 "[ . 1 . 2]" 1
333 1 29 LEU H 1 30 VAL H 4.000 . 4.750 4.266 3.358 4.631 . 0 0 "[ . 1 . 2]" 1
334 1 29 LEU HA 1 30 VAL H 3.000 . 3.500 3.156 2.497 3.532 0.032 15 0 "[ . 1 . 2]" 1
335 1 29 LEU MD1 1 30 VAL H 4.000 . 4.750 3.509 1.898 4.344 . 0 0 "[ . 1 . 2]" 1
336 1 29 LEU QB 1 30 VAL H 5.000 . 6.000 1.845 1.671 2.497 0.129 20 0 "[ . 1 . 2]" 1
337 1 30 VAL H 1 31 SER H 5.000 . 6.000 4.612 4.561 4.636 . 0 0 "[ . 1 . 2]" 1
338 1 30 VAL HA 1 31 SER H 3.000 . 3.500 2.323 2.189 2.390 . 0 0 "[ . 1 . 2]" 1
339 1 30 VAL HB 1 31 SER H 4.000 . 4.750 3.601 3.220 3.961 . 0 0 "[ . 1 . 2]" 1
340 1 30 VAL MG1 1 31 SER H 5.000 . 6.000 3.813 3.111 4.136 . 0 0 "[ . 1 . 2]" 1
341 1 30 VAL MG2 1 31 SER H 5.000 . 6.000 1.917 1.814 2.107 . 0 0 "[ . 1 . 2]" 1
342 1 31 SER HA 1 32 GLU H 4.000 . 4.750 2.480 2.337 2.704 . 0 0 "[ . 1 . 2]" 1
343 1 31 SER HA 1 32 GLU QG 4.000 . 4.750 4.233 3.740 4.753 0.003 1 0 "[ . 1 . 2]" 1
344 1 31 SER QB 1 32 GLU H 4.000 . 4.750 2.581 2.072 3.199 . 0 0 "[ . 1 . 2]" 1
345 1 32 GLU H 1 33 GLU H 4.000 . 4.750 2.586 2.471 2.765 . 0 0 "[ . 1 . 2]" 1
346 1 32 GLU HA 1 33 GLU H 3.000 . 3.500 3.485 3.425 3.545 0.045 12 0 "[ . 1 . 2]" 1
347 1 33 GLU H 1 34 ASP H 4.000 . 4.750 2.646 2.566 2.769 . 0 0 "[ . 1 . 2]" 1
348 1 34 ASP H 1 35 MET H 3.000 . 3.500 2.543 2.453 2.725 . 0 0 "[ . 1 . 2]" 1
349 1 34 ASP HA 1 35 MET H 3.000 . 3.500 3.529 3.476 3.550 0.050 9 0 "[ . 1 . 2]" 1
350 1 34 ASP QB 1 35 MET H 4.000 . 4.750 2.528 2.215 2.790 . 0 0 "[ . 1 . 2]" 1
351 1 35 MET H 1 36 VAL H 4.000 . 4.750 2.685 2.503 2.767 . 0 0 "[ . 1 . 2]" 1
352 1 35 MET HA 1 36 VAL H 5.000 . 6.000 3.539 3.522 3.550 . 0 0 "[ . 1 . 2]" 1
353 1 36 VAL H 1 37 THR H 4.000 . 4.750 2.856 2.693 3.022 . 0 0 "[ . 1 . 2]" 1
354 1 36 VAL HA 1 37 THR H 4.000 . 4.750 3.581 3.529 3.641 . 0 0 "[ . 1 . 2]" 1
355 1 36 VAL HB 1 37 THR H 4.000 . 4.750 2.662 2.550 2.846 . 0 0 "[ . 1 . 2]" 1
356 1 36 VAL MG1 1 37 THR H 5.000 . 6.000 3.093 2.879 3.342 . 0 0 "[ . 1 . 2]" 1
357 1 36 VAL MG1 1 37 THR MG 5.000 . 6.000 4.593 3.403 4.916 . 0 0 "[ . 1 . 2]" 1
358 1 36 VAL MG2 1 37 THR H 5.000 . 6.000 4.023 3.923 4.098 . 0 0 "[ . 1 . 2]" 1
359 1 36 VAL MG2 1 37 THR HA 5.000 . 6.000 5.385 5.339 5.428 . 0 0 "[ . 1 . 2]" 1
360 1 37 THR HB 1 38 VAL H 3.000 . 3.500 2.882 2.619 3.554 0.054 9 0 "[ . 1 . 2]" 1
361 1 37 THR MG 1 38 VAL H 5.000 . 6.000 3.418 2.255 4.270 . 0 0 "[ . 1 . 2]" 1
362 1 37 THR MG 1 38 VAL HA 5.000 . 6.000 3.601 2.996 5.219 . 0 0 "[ . 1 . 2]" 1
363 1 37 THR MG 1 38 VAL MG2 5.000 . 6.000 3.355 1.962 4.581 . 0 0 "[ . 1 . 2]" 1
364 1 38 VAL H 1 39 VAL H 4.000 . 4.750 2.501 2.419 2.570 . 0 0 "[ . 1 . 2]" 1
365 1 38 VAL H 1 39 VAL MG2 5.000 . 6.000 3.995 3.819 4.282 . 0 0 "[ . 1 . 2]" 1
366 1 38 VAL HA 1 39 VAL H 5.000 . 6.000 3.510 3.493 3.535 . 0 0 "[ . 1 . 2]" 1
367 1 38 VAL HB 1 39 VAL H 3.000 . 3.500 2.688 2.447 2.774 . 0 0 "[ . 1 . 2]" 1
368 1 38 VAL HB 1 39 VAL MG1 5.000 . 6.000 5.461 5.302 5.578 . 0 0 "[ . 1 . 2]" 1
369 1 38 VAL MG1 1 39 VAL H 5.000 . 6.000 3.579 3.425 3.719 . 0 0 "[ . 1 . 2]" 1
370 1 38 VAL MG1 1 39 VAL HA 5.000 . 6.000 3.626 3.449 3.809 . 0 0 "[ . 1 . 2]" 1
371 1 38 VAL MG1 1 39 VAL HB 5.000 . 6.000 5.361 5.148 5.556 . 0 0 "[ . 1 . 2]" 1
372 1 38 VAL MG1 1 39 VAL MG2 5.000 . 6.000 3.584 3.274 3.812 . 0 0 "[ . 1 . 2]" 1
373 1 38 VAL MG2 1 39 VAL H 5.000 . 6.000 3.821 3.664 3.901 . 0 0 "[ . 1 . 2]" 1
374 1 39 VAL H 1 40 GLU H 4.000 . 4.750 2.624 2.558 2.718 . 0 0 "[ . 1 . 2]" 1
375 1 39 VAL MG1 1 40 GLU H 5.000 . 6.000 3.360 3.140 3.484 . 0 0 "[ . 1 . 2]" 1
376 1 39 VAL MG1 1 40 GLU HA 5.000 . 6.000 3.485 3.228 3.637 . 0 0 "[ . 1 . 2]" 1
377 1 41 ASP H 1 42 TRP H 3.000 . 3.500 2.707 2.587 2.874 . 0 0 "[ . 1 . 2]" 1
378 1 41 ASP HA 1 42 TRP H 4.000 . 4.750 3.532 3.495 3.559 . 0 0 "[ . 1 . 2]" 1
379 1 41 ASP QB 1 42 TRP H 4.000 . 4.750 2.789 2.461 3.512 . 0 0 "[ . 1 . 2]" 1
380 1 42 TRP H 1 43 MET H 4.000 . 4.750 2.827 2.772 2.866 . 0 0 "[ . 1 . 2]" 1
381 1 42 TRP HB3 1 43 MET H 5.000 . 6.000 3.269 3.111 3.379 . 0 0 "[ . 1 . 2]" 1
382 1 43 MET H 1 44 ASN H 4.000 . 4.750 2.644 2.508 2.744 . 0 0 "[ . 1 . 2]" 1
383 1 44 ASN H 1 45 PHE H 4.000 . 4.750 2.612 2.524 2.678 . 0 0 "[ . 1 . 2]" 1
384 1 45 PHE H 1 46 TYR H 3.000 . 3.500 2.477 2.425 2.556 . 0 0 "[ . 1 . 2]" 1
385 1 45 PHE QB 1 46 TYR H 4.000 . 4.750 3.282 3.096 3.442 . 0 0 "[ . 1 . 2]" 1
386 1 45 PHE QD 1 46 TYR H 4.000 . 4.750 3.149 2.732 3.385 . 0 0 "[ . 1 . 2]" 1
387 1 45 PHE QD 1 46 TYR HA 4.000 . 4.750 3.441 2.790 3.908 . 0 0 "[ . 1 . 2]" 1
388 1 45 PHE QD 1 46 TYR QD 4.000 . 4.750 3.821 3.586 3.949 . 0 0 "[ . 1 . 2]" 1
389 1 46 TYR H 1 47 ILE H 4.000 . 4.750 2.672 2.601 2.742 . 0 0 "[ . 1 . 2]" 1
390 1 46 TYR H 1 47 ILE MG 4.000 . 4.750 3.791 3.719 3.918 . 0 0 "[ . 1 . 2]" 1
391 1 46 TYR QB 1 47 ILE H 4.000 . 4.750 2.557 2.417 2.776 . 0 0 "[ . 1 . 2]" 1
392 1 47 ILE H 1 48 ASN H 4.000 . 4.750 2.850 2.729 2.958 . 0 0 "[ . 1 . 2]" 1
393 1 47 ILE HA 1 48 ASN H 4.000 . 4.750 3.584 3.569 3.605 . 0 0 "[ . 1 . 2]" 1
394 1 47 ILE HB 1 48 ASN H 4.000 . 4.750 3.821 3.752 3.860 . 0 0 "[ . 1 . 2]" 1
395 1 47 ILE MG 1 48 ASN H 4.000 . 4.750 1.846 1.805 1.863 . 0 0 "[ . 1 . 2]" 1
396 1 47 ILE QG 1 48 ASN H 3.000 . 3.500 3.549 3.528 3.576 0.076 18 0 "[ . 1 . 2]" 1
397 1 49 TYR H 1 50 TYR H 3.000 . 3.500 2.659 2.507 2.864 . 0 0 "[ . 1 . 2]" 1
398 1 49 TYR HA 1 50 TYR H 3.000 . 3.500 3.535 3.498 3.554 0.054 14 0 "[ . 1 . 2]" 1
399 1 49 TYR HB3 1 50 TYR H 4.000 . 4.750 2.509 2.145 2.844 . 0 0 "[ . 1 . 2]" 1
400 1 49 TYR HB2 1 50 TYR H 4.000 . 4.750 3.858 3.495 4.098 . 0 0 "[ . 1 . 2]" 1
401 1 49 TYR QD 1 50 TYR H 4.000 . 4.750 3.698 3.162 4.031 . 0 0 "[ . 1 . 2]" 1
402 1 49 TYR QD 1 50 TYR HA 4.000 . 4.750 3.793 2.730 4.395 . 0 0 "[ . 1 . 2]" 1
403 1 49 TYR QD 1 50 TYR QB 5.000 . 6.000 4.775 4.136 5.135 . 0 0 "[ . 1 . 2]" 1
404 1 49 TYR QD 1 50 TYR QD 4.000 . 4.750 3.772 2.455 4.548 . 0 0 "[ . 1 . 2]" 1
405 1 49 TYR QE 1 50 TYR H 5.000 . 6.000 5.496 5.338 5.628 . 0 0 "[ . 1 . 2]" 1
406 1 49 TYR QE 1 50 TYR HA 5.000 . 6.000 4.799 4.339 5.180 . 0 0 "[ . 1 . 2]" 1
407 1 49 TYR QE 1 50 TYR QB 5.000 . 6.000 5.961 5.722 6.060 0.060 18 0 "[ . 1 . 2]" 1
408 1 49 TYR QE 1 50 TYR QD 4.000 . 4.750 4.380 3.490 4.784 0.034 5 0 "[ . 1 . 2]" 1
409 1 50 TYR HA 1 51 ARG H 4.000 . 4.750 3.511 3.450 3.567 . 0 0 "[ . 1 . 2]" 1
410 1 50 TYR QB 1 51 ARG H 3.000 . 3.500 2.780 2.621 2.977 . 0 0 "[ . 1 . 2]" 1
411 1 51 ARG H 1 52 GLN H 4.000 . 4.750 2.676 2.513 2.788 . 0 0 "[ . 1 . 2]" 1
412 1 52 GLN H 1 53 GLN H 3.000 . 3.500 2.243 1.977 2.533 . 0 0 "[ . 1 . 2]" 1
413 1 52 GLN HA 1 53 GLN H 4.000 . 4.750 3.416 3.269 3.551 . 0 0 "[ . 1 . 2]" 1
414 1 52 GLN QB 1 53 GLN H 3.000 . 3.500 3.292 2.722 3.519 0.019 2 0 "[ . 1 . 2]" 1
415 1 52 GLN QB 1 53 GLN QE 5.000 . 6.000 4.768 2.523 5.803 . 0 0 "[ . 1 . 2]" 1
416 1 53 GLN H 1 54 VAL H 3.000 . 3.500 2.893 2.007 3.522 0.022 15 0 "[ . 1 . 2]" 1
417 1 53 GLN HA 1 54 VAL H 4.000 . 4.750 2.945 2.513 3.507 . 0 0 "[ . 1 . 2]" 1
418 1 53 GLN QB 1 54 VAL H 4.000 . 4.750 3.649 2.776 4.031 . 0 0 "[ . 1 . 2]" 1
419 1 53 GLN QG 1 54 VAL H 4.000 . 4.750 4.385 3.932 4.755 0.005 16 0 "[ . 1 . 2]" 1
420 1 54 VAL H 1 55 THR H 4.000 . 4.750 4.460 4.010 4.638 . 0 0 "[ . 1 . 2]" 1
421 1 54 VAL HA 1 55 THR H 3.000 . 3.500 2.382 2.177 3.472 . 0 0 "[ . 1 . 2]" 1
422 1 54 VAL HA 1 55 THR HA 4.000 . 4.750 4.475 4.348 4.757 0.007 7 0 "[ . 1 . 2]" 1
423 1 54 VAL HA 1 55 THR MG 5.000 . 6.000 3.909 3.099 5.348 . 0 0 "[ . 1 . 2]" 1
424 1 54 VAL HB 1 55 THR H 3.000 . 3.500 3.165 1.807 3.560 0.060 9 0 "[ . 1 . 2]" 1
425 1 54 VAL MG1 1 55 THR H 4.000 . 4.750 2.149 1.807 2.591 . 0 0 "[ . 1 . 2]" 1
426 1 54 VAL MG2 1 55 THR H 5.000 . 6.000 4.059 3.513 4.319 . 0 0 "[ . 1 . 2]" 1
427 1 55 THR H 1 56 GLY H 5.000 . 6.000 4.355 4.113 4.522 . 0 0 "[ . 1 . 2]" 1
428 1 55 THR HA 1 56 GLY H 3.000 . 3.500 2.456 2.138 2.647 . 0 0 "[ . 1 . 2]" 1
429 1 55 THR HB 1 56 GLY H 3.000 . 3.500 2.729 2.153 3.560 0.060 19 0 "[ . 1 . 2]" 1
430 1 55 THR MG 1 56 GLY H 4.000 . 4.750 3.461 1.925 4.441 . 0 0 "[ . 1 . 2]" 1
431 1 55 THR MG 1 56 GLY QA 4.000 . 4.750 4.541 3.121 4.827 0.077 18 0 "[ . 1 . 2]" 1
432 1 56 GLY H 1 57 GLU H 4.000 . 4.750 4.186 3.003 4.640 . 0 0 "[ . 1 . 2]" 1
433 1 56 GLY QA 1 57 GLU H 3.000 . 3.500 2.346 2.128 2.734 . 0 0 "[ . 1 . 2]" 1
434 1 57 GLU HA 1 58 PRO HA 4.000 . 4.750 4.448 4.381 4.621 . 0 0 "[ . 1 . 2]" 1
435 1 58 PRO HA 1 59 GLN H 4.000 . 4.750 3.531 3.480 3.619 . 0 0 "[ . 1 . 2]" 1
436 1 59 GLN H 1 60 GLU H 4.000 . 4.750 2.649 2.557 2.858 . 0 0 "[ . 1 . 2]" 1
437 1 59 GLN HA 1 60 GLU H 3.000 . 3.500 3.516 3.490 3.538 0.038 16 0 "[ . 1 . 2]" 1
438 1 59 GLN QB 1 60 GLU H 3.000 . 3.500 2.958 2.502 3.469 . 0 0 "[ . 1 . 2]" 1
439 1 60 GLU H 1 61 ARG H 3.000 . 3.500 2.675 2.598 2.755 . 0 0 "[ . 1 . 2]" 1
440 1 61 ARG H 1 62 ASP H 3.000 . 3.500 2.704 2.506 2.792 . 0 0 "[ . 1 . 2]" 1
441 1 61 ARG HA 1 62 ASP H 4.000 . 4.750 3.542 3.507 3.560 . 0 0 "[ . 1 . 2]" 1
442 1 62 ASP H 1 63 LYS H 3.000 . 3.500 2.894 2.740 3.014 . 0 0 "[ . 1 . 2]" 1
443 1 62 ASP HA 1 63 LYS H 4.000 . 4.750 3.584 3.501 3.647 . 0 0 "[ . 1 . 2]" 1
444 1 62 ASP QB 1 63 LYS H 3.000 . 3.500 2.734 2.568 2.967 . 0 0 "[ . 1 . 2]" 1
445 1 63 LYS H 1 64 ALA H 3.000 . 3.500 2.608 2.451 2.784 . 0 0 "[ . 1 . 2]" 1
446 1 63 LYS HA 1 64 ALA H 3.000 . 3.500 3.528 3.495 3.564 0.064 5 0 "[ . 1 . 2]" 1
447 1 63 LYS QB 1 64 ALA H 3.000 . 3.500 2.562 2.328 2.857 . 0 0 "[ . 1 . 2]" 1
448 1 63 LYS QD 1 64 ALA H 4.000 . 4.750 4.156 3.549 4.736 . 0 0 "[ . 1 . 2]" 1
449 1 64 ALA H 1 65 LEU H 3.000 . 3.500 2.624 2.501 2.789 . 0 0 "[ . 1 . 2]" 1
450 1 64 ALA MB 1 65 LEU H 3.000 . 3.500 2.594 2.408 2.739 . 0 0 "[ . 1 . 2]" 1
451 1 65 LEU H 1 66 GLN H 3.000 . 3.500 2.723 2.594 2.925 . 0 0 "[ . 1 . 2]" 1
452 1 65 LEU MD1 1 66 GLN H 4.000 . 4.750 4.321 4.150 4.654 . 0 0 "[ . 1 . 2]" 1
453 1 66 GLN H 1 67 GLU H 3.000 . 3.500 2.522 2.390 2.572 . 0 0 "[ . 1 . 2]" 1
454 1 66 GLN QB 1 67 GLU H 3.000 . 3.500 3.348 2.476 3.515 0.015 6 0 "[ . 1 . 2]" 1
455 1 66 GLN QG 1 67 GLU H 4.000 . 4.750 2.106 1.877 3.774 . 0 0 "[ . 1 . 2]" 1
456 1 67 GLU H 1 68 LEU H 3.000 . 3.500 2.641 2.549 2.707 . 0 0 "[ . 1 . 2]" 1
457 1 67 GLU HA 1 68 LEU H 3.000 . 3.500 3.524 3.489 3.543 0.043 9 0 "[ . 1 . 2]" 1
458 1 68 LEU H 1 69 ARG H 3.000 . 3.500 2.641 2.548 2.699 . 0 0 "[ . 1 . 2]" 1
459 1 68 LEU HA 1 69 ARG H 3.000 . 3.500 3.544 3.530 3.561 0.061 15 0 "[ . 1 . 2]" 1
460 1 68 LEU QB 1 69 ARG H 4.000 . 4.750 2.475 2.289 2.524 . 0 0 "[ . 1 . 2]" 1
461 1 68 LEU QD 1 69 ARG HA 4.000 . 4.750 4.525 2.708 4.783 0.033 1 0 "[ . 1 . 2]" 1
462 1 69 ARG H 1 70 GLN H 3.000 . 3.500 2.817 2.732 2.925 . 0 0 "[ . 1 . 2]" 1
463 1 69 ARG HA 1 70 GLN H 4.000 . 4.750 3.554 3.518 3.602 . 0 0 "[ . 1 . 2]" 1
464 1 69 ARG QB 1 70 GLN H 3.000 . 3.500 2.694 2.403 3.516 0.016 15 0 "[ . 1 . 2]" 1
465 1 70 GLN H 1 71 GLU H 3.000 . 3.500 2.589 2.511 2.769 . 0 0 "[ . 1 . 2]" 1
466 1 70 GLN HA 1 71 GLU H 4.000 . 4.750 3.532 3.488 3.570 . 0 0 "[ . 1 . 2]" 1
467 1 70 GLN QB 1 71 GLU H 3.000 . 3.500 2.651 2.399 3.409 . 0 0 "[ . 1 . 2]" 1
468 1 71 GLU H 1 72 LEU H 4.000 . 4.750 2.744 2.657 2.804 . 0 0 "[ . 1 . 2]" 1
469 1 71 GLU QB 1 72 LEU H 4.000 . 4.750 2.526 2.340 2.712 . 0 0 "[ . 1 . 2]" 1
470 1 73 ASN HA 1 74 THR H 3.000 . 3.500 3.528 3.495 3.562 0.062 5 0 "[ . 1 . 2]" 1
471 1 73 ASN QB 1 74 THR H 3.000 . 3.500 2.629 2.348 3.377 . 0 0 "[ . 1 . 2]" 1
472 1 74 THR H 1 75 LEU H 4.000 . 4.750 2.504 2.441 2.692 . 0 0 "[ . 1 . 2]" 1
473 1 74 THR HA 1 75 LEU H 4.000 . 4.750 3.538 3.526 3.553 . 0 0 "[ . 1 . 2]" 1
474 1 74 THR MG 1 75 LEU H 5.000 . 6.000 3.117 1.842 4.009 . 0 0 "[ . 1 . 2]" 1
475 1 75 LEU H 1 76 ALA H 4.000 . 4.750 2.970 2.931 3.001 . 0 0 "[ . 1 . 2]" 1
476 1 75 LEU HA 1 76 ALA H 4.000 . 4.750 3.553 3.534 3.566 . 0 0 "[ . 1 . 2]" 1
477 1 75 LEU HB3 1 76 ALA H 5.000 . 6.000 3.287 3.164 3.405 . 0 0 "[ . 1 . 2]" 1
478 1 75 LEU MD1 1 76 ALA H 5.000 . 6.000 4.558 4.405 4.685 . 0 0 "[ . 1 . 2]" 1
479 1 76 ALA H 1 77 ASN H 3.000 . 3.500 2.536 2.486 2.584 . 0 0 "[ . 1 . 2]" 1
480 1 76 ALA MB 1 77 ASN H 5.000 . 6.000 2.873 2.780 2.949 . 0 0 "[ . 1 . 2]" 1
481 1 77 ASN H 1 78 PRO QD 3.000 . 3.500 2.295 2.255 2.358 . 0 0 "[ . 1 . 2]" 1
482 1 77 ASN HA 1 78 PRO QD 4.000 . 4.750 3.530 3.521 3.539 . 0 0 "[ . 1 . 2]" 1
483 1 77 ASN QB 1 78 PRO QD 3.000 . 3.500 2.091 1.892 2.425 . 0 0 "[ . 1 . 2]" 1
484 1 78 PRO HA 1 79 PHE H 5.000 . 6.000 3.523 3.494 3.557 . 0 0 "[ . 1 . 2]" 1
485 1 78 PRO QB 1 79 PHE H 3.000 . 3.500 3.353 3.262 3.441 . 0 0 "[ . 1 . 2]" 1
486 1 78 PRO QD 1 79 PHE H 4.000 . 4.750 2.662 2.583 2.767 . 0 0 "[ . 1 . 2]" 1
487 1 79 PHE H 1 80 LEU H 4.000 . 4.750 2.643 2.596 2.685 . 0 0 "[ . 1 . 2]" 1
488 1 79 PHE HB3 1 80 LEU H 5.000 . 6.000 2.304 2.201 2.415 . 0 0 "[ . 1 . 2]" 1
489 1 79 PHE HB3 1 80 LEU MD1 5.000 . 6.000 4.600 4.325 4.854 . 0 0 "[ . 1 . 2]" 1
490 1 79 PHE HB2 1 80 LEU H 4.000 . 4.750 3.664 3.511 3.801 . 0 0 "[ . 1 . 2]" 1
491 1 79 PHE HB2 1 80 LEU MD1 5.000 . 6.000 5.962 5.764 6.033 0.033 12 0 "[ . 1 . 2]" 1
492 1 79 PHE QD 1 80 LEU MD2 5.000 . 6.000 3.496 2.001 4.184 . 0 0 "[ . 1 . 2]" 1
493 1 79 PHE QE 1 80 LEU MD2 4.000 . 4.750 4.334 2.752 4.766 0.016 5 0 "[ . 1 . 2]" 1
494 1 80 LEU H 1 81 ALA H 4.000 . 4.750 2.731 2.535 2.982 . 0 0 "[ . 1 . 2]" 1
495 1 81 ALA H 1 82 LYS H 3.000 . 3.500 2.699 2.541 2.845 . 0 0 "[ . 1 . 2]" 1
496 1 81 ALA HA 1 82 LYS H 3.000 . 3.500 3.545 3.511 3.561 0.061 3 0 "[ . 1 . 2]" 1
497 1 82 LYS H 1 83 TYR H 3.000 . 3.500 2.642 2.543 2.741 . 0 0 "[ . 1 . 2]" 1
498 1 82 LYS QB 1 83 TYR H 3.000 . 3.500 2.703 2.415 3.522 0.022 1 0 "[ . 1 . 2]" 1
499 1 84 ARG H 1 85 ASP H 4.000 . 4.750 2.820 2.630 3.025 . 0 0 "[ . 1 . 2]" 1
500 1 84 ARG HA 1 85 ASP H 5.000 . 6.000 3.535 3.460 3.605 . 0 0 "[ . 1 . 2]" 1
501 1 85 ASP H 1 86 PHE H 4.000 . 4.750 2.582 2.450 2.747 . 0 0 "[ . 1 . 2]" 1
502 1 86 PHE H 1 87 LEU H 3.000 . 3.500 2.644 2.513 2.736 . 0 0 "[ . 1 . 2]" 1
503 1 86 PHE HB3 1 87 LEU H 4.000 . 4.750 2.721 2.444 2.946 . 0 0 "[ . 1 . 2]" 1
504 1 86 PHE HB2 1 87 LEU H 5.000 . 6.000 4.018 3.845 4.158 . 0 0 "[ . 1 . 2]" 1
505 1 86 PHE HZ 1 87 LEU HA 5.000 . 6.000 5.831 5.261 6.046 0.046 7 0 "[ . 1 . 2]" 1
506 1 86 PHE QD 1 87 LEU H 5.000 . 6.000 3.203 2.659 3.728 . 0 0 "[ . 1 . 2]" 1
507 1 86 PHE QD 1 87 LEU HA 5.000 . 6.000 3.362 2.715 4.074 . 0 0 "[ . 1 . 2]" 1
508 1 86 PHE QD 1 87 LEU QB 5.000 . 6.000 3.660 2.809 4.399 . 0 0 "[ . 1 . 2]" 1
509 1 86 PHE QD 1 87 LEU QD 5.000 . 6.000 2.716 1.812 4.145 . 0 0 "[ . 1 . 2]" 1
510 1 86 PHE QE 1 87 LEU HA 5.000 . 6.000 4.256 3.663 4.801 . 0 0 "[ . 1 . 2]" 1
511 1 86 PHE QE 1 87 LEU HG 5.000 . 6.000 5.304 4.007 6.026 0.026 16 0 "[ . 1 . 2]" 1
512 1 86 PHE QE 1 87 LEU QD 5.000 . 6.000 3.312 1.951 4.766 . 0 0 "[ . 1 . 2]" 1
513 1 87 LEU H 1 88 LYS H 4.000 . 4.750 2.589 2.434 2.857 . 0 0 "[ . 1 . 2]" 1
514 1 87 LEU HA 1 88 LYS H 5.000 . 6.000 3.546 3.505 3.598 . 0 0 "[ . 1 . 2]" 1
515 1 87 LEU HG 1 88 LYS H 5.000 . 6.000 4.778 2.308 5.210 . 0 0 "[ . 1 . 2]" 1
516 1 87 LEU QB 1 88 LYS H 5.000 . 6.000 2.630 2.346 3.351 . 0 0 "[ . 1 . 2]" 1
517 1 87 LEU QD 1 88 LYS H 5.000 . 6.000 3.812 2.629 4.206 . 0 0 "[ . 1 . 2]" 1
518 1 88 LYS H 1 89 SER H 4.000 . 4.750 2.534 2.415 2.698 . 0 0 "[ . 1 . 2]" 1
519 1 88 LYS HA 1 89 SER H 4.000 . 4.750 3.477 3.438 3.537 . 0 0 "[ . 1 . 2]" 1
520 1 88 LYS QB 1 89 SER H 3.000 . 3.500 2.987 2.653 3.553 0.053 1 0 "[ . 1 . 2]" 1
521 1 89 SER H 1 90 HIS H 4.000 . 4.750 2.741 1.711 3.312 0.089 18 0 "[ . 1 . 2]" 1
522 1 90 HIS H 1 91 GLU H 4.000 . 4.750 3.895 2.759 4.625 . 0 0 "[ . 1 . 2]" 1
523 1 90 HIS HA 1 91 GLU H 4.000 . 4.750 2.808 2.130 3.544 . 0 0 "[ . 1 . 2]" 1
524 1 91 GLU H 1 92 LEU H 4.000 . 4.750 3.588 1.932 4.624 . 0 0 "[ . 1 . 2]" 1
525 1 91 GLU HA 1 92 LEU H 3.000 . 3.500 2.884 2.137 3.548 0.048 11 0 "[ . 1 . 2]" 1
526 1 91 GLU QB 1 92 LEU H 4.000 . 4.750 2.887 1.790 4.034 0.010 15 0 "[ . 1 . 2]" 1
527 1 2 LEU H 1 4 ALA H 5.000 . 6.000 4.468 3.399 5.817 . 0 0 "[ . 1 . 2]" 1
528 1 2 LEU HA 1 4 ALA H 4.000 . 4.750 4.001 3.248 4.566 . 0 0 "[ . 1 . 2]" 1
529 1 5 ASN H 1 7 ASP H 4.000 . 4.750 3.866 3.758 4.011 . 0 0 "[ . 1 . 2]" 1
530 1 6 LYS H 1 8 LEU H 5.000 . 6.000 4.339 4.102 4.481 . 0 0 "[ . 1 . 2]" 1
531 1 7 ASP H 1 9 ILE H 4.000 . 4.750 4.101 3.996 4.167 . 0 0 "[ . 1 . 2]" 1
532 1 8 LEU H 1 10 SER H 4.000 . 4.750 4.316 4.164 4.446 . 0 0 "[ . 1 . 2]" 1
533 1 10 SER H 1 12 GLY H 4.000 . 4.750 4.350 4.091 4.511 . 0 0 "[ . 1 . 2]" 1
534 1 12 GLY H 1 14 LYS H 5.000 . 6.000 4.359 4.104 4.577 . 0 0 "[ . 1 . 2]" 1
535 1 14 LYS H 1 16 PHE H 5.000 . 6.000 4.378 4.197 4.475 . 0 0 "[ . 1 . 2]" 1
536 1 15 GLU H 1 17 SER H 4.000 . 4.750 3.942 3.749 4.203 . 0 0 "[ . 1 . 2]" 1
537 1 16 PHE H 1 18 VAL H 5.000 . 6.000 4.285 4.185 4.371 . 0 0 "[ . 1 . 2]" 1
538 1 17 SER H 1 19 LEU H 5.000 . 6.000 3.981 3.752 4.199 . 0 0 "[ . 1 . 2]" 1
539 1 19 LEU HA 1 21 ASN H 5.000 . 6.000 4.529 3.964 4.850 . 0 0 "[ . 1 . 2]" 1
540 1 21 ASN H 1 23 GLN H 5.000 . 6.000 4.249 3.771 4.556 . 0 0 "[ . 1 . 2]" 1
541 1 23 GLN QB 1 25 PHE QE 3.000 . 3.500 2.844 1.927 3.507 0.007 1 0 "[ . 1 . 2]" 1
542 1 23 GLN QE 1 25 PHE HZ 4.000 . 4.750 4.105 2.180 4.784 0.034 19 0 "[ . 1 . 2]" 1
543 1 24 VAL MG1 1 26 ASN QD 5.000 . 6.000 4.332 1.961 6.001 0.001 18 0 "[ . 1 . 2]" 1
544 1 24 VAL MG2 1 26 ASN QD 5.000 . 6.000 3.522 1.900 5.084 . 0 0 "[ . 1 . 2]" 1
545 1 27 ASP HA 1 29 LEU H 5.000 . 6.000 4.884 3.897 6.173 0.173 16 0 "[ . 1 . 2]" 1
546 1 27 ASP HA 1 29 LEU MD2 5.000 . 6.000 5.448 3.847 6.131 0.131 8 0 "[ . 1 . 2]" 1
547 1 27 ASP QB 1 29 LEU MD2 4.000 . 4.750 4.078 2.679 4.853 0.103 19 0 "[ . 1 . 2]" 1
548 1 31 SER HA 1 33 GLU H 4.000 . 4.750 4.304 4.042 4.766 0.016 12 0 "[ . 1 . 2]" 1
549 1 31 SER QB 1 33 GLU H 4.000 . 4.750 2.640 2.335 3.121 . 0 0 "[ . 1 . 2]" 1
550 1 32 GLU HA 1 34 ASP H 4.000 . 4.750 4.164 3.841 4.453 . 0 0 "[ . 1 . 2]" 1
551 1 37 THR H 1 39 VAL H 4.000 . 4.750 4.053 3.870 4.171 . 0 0 "[ . 1 . 2]" 1
552 1 50 TYR H 1 52 GLN H 5.000 . 6.000 4.062 3.988 4.152 . 0 0 "[ . 1 . 2]" 1
553 1 50 TYR HA 1 52 GLN H 5.000 . 6.000 3.731 3.438 4.065 . 0 0 "[ . 1 . 2]" 1
554 1 52 GLN H 1 54 VAL H 4.000 . 4.750 4.493 3.846 4.879 0.129 15 0 "[ . 1 . 2]" 1
555 1 60 GLU H 1 62 ASP H 4.000 . 4.750 4.240 4.144 4.336 . 0 0 "[ . 1 . 2]" 1
556 1 70 GLN H 1 72 LEU H 5.000 . 6.000 4.201 4.007 4.397 . 0 0 "[ . 1 . 2]" 1
557 1 77 ASN H 1 79 PHE H 4.000 . 4.750 4.178 4.089 4.283 . 0 0 "[ . 1 . 2]" 1
558 1 79 PHE H 1 81 ALA H 4.000 . 4.750 3.992 3.724 4.338 . 0 0 "[ . 1 . 2]" 1
559 1 85 ASP HA 1 87 LEU H 4.000 . 4.750 4.343 4.122 4.664 . 0 0 "[ . 1 . 2]" 1
560 1 2 LEU H 1 5 ASN QD 5.000 . 6.000 4.813 1.953 6.017 0.017 19 0 "[ . 1 . 2]" 1
561 1 2 LEU QB 1 5 ASN QB 4.000 . 4.750 3.965 2.081 4.826 0.076 2 0 "[ . 1 . 2]" 1
562 1 3 LYS HA 1 6 LYS H 3.000 . 3.500 3.387 3.160 3.535 0.035 15 0 "[ . 1 . 2]" 1
563 1 3 LYS HA 1 6 LYS QB 3.000 . 3.500 2.586 2.264 2.874 . 0 0 "[ . 1 . 2]" 1
564 1 4 ALA HA 1 7 ASP H 3.000 . 3.500 3.519 3.437 3.555 0.055 6 0 "[ . 1 . 2]" 1
565 1 4 ALA HA 1 7 ASP QB 3.000 . 3.500 2.631 2.300 3.054 . 0 0 "[ . 1 . 2]" 1
566 1 5 ASN HA 1 8 LEU H 4.000 . 4.750 3.461 3.354 3.597 . 0 0 "[ . 1 . 2]" 1
567 1 5 ASN HA 1 8 LEU QB 3.000 . 3.500 2.970 2.802 3.187 . 0 0 "[ . 1 . 2]" 1
568 1 6 LYS HA 1 9 ILE HB 3.000 . 3.500 2.964 2.485 3.471 . 0 0 "[ . 1 . 2]" 1
569 1 7 ASP HA 1 10 SER H 3.000 . 3.500 3.544 3.525 3.574 0.074 13 0 "[ . 1 . 2]" 1
570 1 7 ASP HA 1 10 SER QB 3.000 . 3.500 2.723 2.407 3.384 . 0 0 "[ . 1 . 2]" 1
571 1 8 LEU HA 1 11 ALA H 3.000 . 3.500 3.484 3.395 3.538 0.038 19 0 "[ . 1 . 2]" 1
572 1 8 LEU HA 1 11 ALA MB 3.000 . 3.500 2.521 2.247 2.734 . 0 0 "[ . 1 . 2]" 1
573 1 8 LEU MD1 1 11 ALA H 5.000 . 6.000 5.030 4.140 6.025 0.025 17 0 "[ . 1 . 2]" 1
574 1 9 ILE HA 1 12 GLY H 4.000 . 4.750 3.407 3.294 3.652 . 0 0 "[ . 1 . 2]" 1
575 1 10 SER HA 1 13 LEU H 3.000 . 3.500 3.342 3.146 3.516 0.016 3 0 "[ . 1 . 2]" 1
576 1 10 SER HA 1 13 LEU HB3 4.000 . 4.750 3.361 3.154 3.540 . 0 0 "[ . 1 . 2]" 1
577 1 10 SER HA 1 13 LEU HB2 3.000 . 3.500 2.050 1.919 2.223 . 0 0 "[ . 1 . 2]" 1
578 1 11 ALA HA 1 14 LYS H 3.000 . 3.500 3.605 3.541 3.655 0.155 20 0 "[ . 1 . 2]" 1
579 1 11 ALA HA 1 14 LYS QB 3.000 . 3.500 3.147 2.878 3.559 0.059 14 0 "[ . 1 . 2]" 1
580 1 12 GLY QA 1 15 GLU H 5.000 . 6.000 3.430 3.224 3.630 . 0 0 "[ . 1 . 2]" 1
581 1 12 GLY QA 1 15 GLU QB 5.000 . 6.000 2.390 1.951 3.612 . 0 0 "[ . 1 . 2]" 1
582 1 13 LEU HA 1 16 PHE H 3.000 . 3.500 3.551 3.518 3.606 0.106 11 0 "[ . 1 . 2]" 1
583 1 13 LEU HA 1 16 PHE HB3 4.000 . 4.750 3.325 2.990 3.602 . 0 0 "[ . 1 . 2]" 1
584 1 13 LEU HA 1 16 PHE HB2 4.000 . 4.750 3.906 3.492 4.347 . 0 0 "[ . 1 . 2]" 1
585 1 14 LYS HA 1 17 SER H 3.000 . 3.500 3.468 3.290 3.554 0.054 14 0 "[ . 1 . 2]" 1
586 1 15 GLU HA 1 18 VAL H 4.000 . 4.750 3.823 3.510 4.055 . 0 0 "[ . 1 . 2]" 1
587 1 15 GLU HA 1 18 VAL HB 4.000 . 4.750 3.283 2.895 3.440 . 0 0 "[ . 1 . 2]" 1
588 1 15 GLU HA 1 18 VAL MG1 4.000 . 4.750 4.601 4.201 4.757 0.007 19 0 "[ . 1 . 2]" 1
589 1 15 GLU HA 1 18 VAL MG2 4.000 . 4.750 3.398 2.636 3.869 . 0 0 "[ . 1 . 2]" 1
590 1 16 PHE H 1 19 LEU MD2 5.000 . 6.000 5.201 4.879 5.510 . 0 0 "[ . 1 . 2]" 1
591 1 16 PHE HA 1 19 LEU H 3.000 . 3.500 3.425 3.311 3.511 0.011 6 0 "[ . 1 . 2]" 1
592 1 16 PHE HA 1 19 LEU MD1 5.000 . 6.000 4.720 4.244 5.010 . 0 0 "[ . 1 . 2]" 1
593 1 16 PHE HA 1 19 LEU MD2 5.000 . 6.000 3.013 2.695 3.408 . 0 0 "[ . 1 . 2]" 1
594 1 16 PHE HA 1 19 LEU QB 3.000 . 3.500 2.356 2.072 2.608 . 0 0 "[ . 1 . 2]" 1
595 1 16 PHE HB3 1 19 LEU MD2 5.000 . 6.000 5.386 4.981 5.772 . 0 0 "[ . 1 . 2]" 1
596 1 16 PHE QD 1 19 LEU MD1 5.000 . 6.000 4.758 4.392 5.064 . 0 0 "[ . 1 . 2]" 1
597 1 16 PHE QD 1 19 LEU MD2 5.000 . 6.000 2.586 2.027 3.119 . 0 0 "[ . 1 . 2]" 1
598 1 16 PHE QE 1 19 LEU MD1 5.000 . 6.000 5.404 4.918 5.760 . 0 0 "[ . 1 . 2]" 1
599 1 16 PHE QE 1 19 LEU MD2 5.000 . 6.000 2.938 2.334 3.446 . 0 0 "[ . 1 . 2]" 1
600 1 17 SER HA 1 20 LEU H 5.000 . 6.000 3.568 3.287 3.748 . 0 0 "[ . 1 . 2]" 1
601 1 17 SER HA 1 20 LEU MD1 4.000 . 4.750 2.703 1.942 4.384 . 0 0 "[ . 1 . 2]" 1
602 1 17 SER HA 1 20 LEU MD2 5.000 . 6.000 4.840 4.209 5.461 . 0 0 "[ . 1 . 2]" 1
603 1 17 SER HA 1 20 LEU QB 3.000 . 3.500 2.811 2.559 3.069 . 0 0 "[ . 1 . 2]" 1
604 1 17 SER QB 1 20 LEU MD1 5.000 . 6.000 4.226 3.427 5.827 . 0 0 "[ . 1 . 2]" 1
605 1 18 VAL HA 1 21 ASN H 4.000 . 4.750 3.431 3.005 3.758 . 0 0 "[ . 1 . 2]" 1
606 1 18 VAL HA 1 21 ASN QB 3.000 . 3.500 2.756 2.115 3.505 0.005 1 0 "[ . 1 . 2]" 1
607 1 18 VAL HA 1 21 ASN QD 4.000 . 4.750 4.050 1.928 4.760 0.010 4 0 "[ . 1 . 2]" 1
608 1 19 LEU HA 1 22 GLN H 5.000 . 6.000 3.641 3.193 3.991 . 0 0 "[ . 1 . 2]" 1
609 1 19 LEU HA 1 22 GLN QB 3.000 . 3.500 2.859 1.981 3.518 0.018 16 0 "[ . 1 . 2]" 1
610 1 20 LEU HA 1 23 GLN QG 5.000 . 6.000 2.966 1.778 5.070 0.022 13 0 "[ . 1 . 2]" 1
611 1 31 SER H 1 34 ASP H 5.000 . 6.000 3.930 3.316 4.207 . 0 0 "[ . 1 . 2]" 1
612 1 31 SER H 1 34 ASP QB 4.000 . 4.750 2.945 1.917 3.446 . 0 0 "[ . 1 . 2]" 1
613 1 31 SER HA 1 34 ASP H 4.000 . 4.750 4.773 4.422 4.863 0.113 11 0 "[ . 1 . 2]" 1
614 1 33 GLU HA 1 36 VAL H 4.000 . 4.750 3.834 3.644 4.059 . 0 0 "[ . 1 . 2]" 1
615 1 33 GLU HA 1 36 VAL MG1 3.000 . 3.500 3.549 3.536 3.559 0.059 12 0 "[ . 1 . 2]" 1
616 1 33 GLU HA 1 36 VAL MG2 4.000 . 4.750 3.544 3.332 3.911 . 0 0 "[ . 1 . 2]" 1
617 1 34 ASP HA 1 37 THR H 5.000 . 6.000 3.585 3.426 3.890 . 0 0 "[ . 1 . 2]" 1
618 1 34 ASP HA 1 37 THR MG 5.000 . 6.000 3.884 2.736 4.498 . 0 0 "[ . 1 . 2]" 1
619 1 35 MET H 1 38 VAL MG2 4.000 . 4.750 4.233 4.069 4.500 . 0 0 "[ . 1 . 2]" 1
620 1 35 MET HA 1 38 VAL H 3.000 . 3.500 3.448 3.334 3.527 0.027 9 0 "[ . 1 . 2]" 1
621 1 35 MET HA 1 38 VAL HB 3.000 . 3.500 2.739 2.537 3.040 . 0 0 "[ . 1 . 2]" 1
622 1 35 MET HA 1 38 VAL MG1 5.000 . 6.000 4.075 3.876 4.393 . 0 0 "[ . 1 . 2]" 1
623 1 35 MET HA 1 38 VAL MG2 3.000 . 3.500 2.760 2.226 3.329 . 0 0 "[ . 1 . 2]" 1
624 1 35 MET ME 1 38 VAL MG1 5.000 . 6.000 3.151 2.543 4.278 . 0 0 "[ . 1 . 2]" 1
625 1 35 MET ME 1 38 VAL MG2 4.000 . 4.750 3.441 2.798 4.580 . 0 0 "[ . 1 . 2]" 1
626 1 36 VAL H 1 39 VAL MG1 5.000 . 6.000 6.045 6.023 6.077 0.077 10 0 "[ . 1 . 2]" 1
627 1 36 VAL HA 1 39 VAL H 4.000 . 4.750 3.450 3.239 3.809 . 0 0 "[ . 1 . 2]" 1
628 1 36 VAL HA 1 39 VAL HB 3.000 . 3.500 2.683 2.528 2.957 . 0 0 "[ . 1 . 2]" 1
629 1 36 VAL HA 1 39 VAL MG1 5.000 . 6.000 3.976 3.879 4.195 . 0 0 "[ . 1 . 2]" 1
630 1 36 VAL MG1 1 39 VAL MG1 5.000 . 6.000 4.595 4.280 5.061 . 0 0 "[ . 1 . 2]" 1
631 1 37 THR HA 1 40 GLU H 3.000 . 3.500 3.497 3.417 3.531 0.031 15 0 "[ . 1 . 2]" 1
632 1 37 THR HA 1 40 GLU QB 3.000 . 3.500 2.718 2.380 3.671 0.171 2 0 "[ . 1 . 2]" 1
633 1 38 VAL HA 1 41 ASP H 5.000 . 6.000 3.673 3.492 3.821 . 0 0 "[ . 1 . 2]" 1
634 1 38 VAL HA 1 41 ASP QB 4.000 . 4.750 3.000 2.507 4.132 . 0 0 "[ . 1 . 2]" 1
635 1 39 VAL HA 1 42 TRP H 5.000 . 6.000 3.571 3.407 3.751 . 0 0 "[ . 1 . 2]" 1
636 1 39 VAL HA 1 42 TRP HB3 4.000 . 4.750 4.199 3.879 4.563 . 0 0 "[ . 1 . 2]" 1
637 1 39 VAL HA 1 42 TRP HB2 3.000 . 3.500 2.641 2.358 2.948 . 0 0 "[ . 1 . 2]" 1
638 1 39 VAL HA 1 42 TRP HD1 5.000 . 6.000 5.677 5.100 5.976 . 0 0 "[ . 1 . 2]" 1
639 1 39 VAL HA 1 42 TRP HE3 3.000 . 3.500 2.666 2.300 3.446 . 0 0 "[ . 1 . 2]" 1
640 1 39 VAL MG1 1 42 TRP H 5.000 . 6.000 4.720 4.504 4.896 . 0 0 "[ . 1 . 2]" 1
641 1 39 VAL MG1 1 42 TRP HB3 5.000 . 6.000 4.869 4.552 5.186 . 0 0 "[ . 1 . 2]" 1
642 1 39 VAL MG1 1 42 TRP HB2 5.000 . 6.000 3.787 3.410 4.068 . 0 0 "[ . 1 . 2]" 1
643 1 39 VAL MG1 1 42 TRP HE3 4.000 . 4.750 3.699 3.224 4.432 . 0 0 "[ . 1 . 2]" 1
644 1 39 VAL MG1 1 42 TRP HZ3 5.000 . 6.000 4.832 4.283 5.552 . 0 0 "[ . 1 . 2]" 1
645 1 39 VAL MG2 1 42 TRP HE3 4.000 . 4.750 3.550 3.079 4.364 . 0 0 "[ . 1 . 2]" 1
646 1 39 VAL MG2 1 42 TRP HZ3 5.000 . 6.000 3.615 3.113 4.673 . 0 0 "[ . 1 . 2]" 1
647 1 40 GLU HA 1 43 MET H 4.000 . 4.750 3.678 3.440 3.908 . 0 0 "[ . 1 . 2]" 1
648 1 40 GLU HA 1 43 MET ME 3.000 . 3.500 2.560 1.783 3.471 0.017 2 0 "[ . 1 . 2]" 1
649 1 40 GLU QG 1 43 MET ME 3.000 . 3.500 3.196 2.521 3.638 0.138 2 0 "[ . 1 . 2]" 1
650 1 40 GLU QG 1 43 MET QG 5.000 . 6.000 4.330 3.335 5.943 . 0 0 "[ . 1 . 2]" 1
651 1 41 ASP HA 1 44 ASN H 4.000 . 4.750 3.498 3.345 3.754 . 0 0 "[ . 1 . 2]" 1
652 1 41 ASP HA 1 44 ASN QB 3.000 . 3.500 2.693 2.205 3.479 . 0 0 "[ . 1 . 2]" 1
653 1 41 ASP HA 1 44 ASN QD 4.000 . 4.750 3.733 1.926 4.705 . 0 0 "[ . 1 . 2]" 1
654 1 42 TRP HA 1 45 PHE H 4.000 . 4.750 3.629 3.396 3.833 . 0 0 "[ . 1 . 2]" 1
655 1 42 TRP HA 1 45 PHE HZ 5.000 . 6.000 5.451 4.359 6.006 0.006 11 0 "[ . 1 . 2]" 1
656 1 42 TRP HA 1 45 PHE QB 4.000 . 4.750 3.276 2.787 3.776 . 0 0 "[ . 1 . 2]" 1
657 1 42 TRP HA 1 45 PHE QD 4.000 . 4.750 1.869 1.777 2.065 0.023 8 0 "[ . 1 . 2]" 1
658 1 42 TRP HA 1 45 PHE QE 5.000 . 6.000 3.213 2.146 3.769 . 0 0 "[ . 1 . 2]" 1
659 1 42 TRP HD1 1 45 PHE QB 4.000 . 4.750 4.290 3.859 4.755 0.005 12 0 "[ . 1 . 2]" 1
660 1 42 TRP HD1 1 45 PHE QD 3.000 . 3.500 2.968 2.501 3.495 . 0 0 "[ . 1 . 2]" 1
661 1 43 MET HA 1 46 TYR H 3.000 . 3.500 3.463 3.264 3.520 0.020 13 0 "[ . 1 . 2]" 1
662 1 43 MET HA 1 46 TYR QD 3.000 . 3.500 2.703 1.995 3.498 . 0 0 "[ . 1 . 2]" 1
663 1 44 ASN HA 1 47 ILE H 4.000 . 4.750 3.500 3.431 3.582 . 0 0 "[ . 1 . 2]" 1
664 1 44 ASN HA 1 47 ILE HB 3.000 . 3.500 3.588 3.568 3.602 0.102 10 0 "[ . 1 . 2]" 1
665 1 44 ASN HA 1 47 ILE MG 3.000 . 3.500 1.810 1.791 1.875 0.009 6 0 "[ . 1 . 2]" 1
666 1 44 ASN HA 1 47 ILE MD 4.000 . 4.750 4.196 3.803 4.773 0.023 18 0 "[ . 1 . 2]" 1
667 1 44 ASN HA 1 47 ILE QG 5.000 . 6.000 4.653 4.374 4.846 . 0 0 "[ . 1 . 2]" 1
668 1 45 PHE HA 1 48 ASN H 3.000 . 3.500 3.578 3.534 3.615 0.115 3 0 "[ . 1 . 2]" 1
669 1 45 PHE HA 1 48 ASN QB 4.000 . 4.750 3.252 2.686 4.196 . 0 0 "[ . 1 . 2]" 1
670 1 46 TYR HA 1 49 TYR H 3.000 . 3.500 3.518 3.246 3.603 0.103 17 0 "[ . 1 . 2]" 1
671 1 46 TYR HA 1 49 TYR QD 4.000 . 4.750 3.133 2.421 3.939 . 0 0 "[ . 1 . 2]" 1
672 1 46 TYR HA 1 49 TYR QE 5.000 . 6.000 5.161 4.551 5.590 . 0 0 "[ . 1 . 2]" 1
673 1 46 TYR QD 1 49 TYR QD 5.000 . 6.000 3.132 2.488 3.729 . 0 0 "[ . 1 . 2]" 1
674 1 46 TYR QD 1 49 TYR QE 4.000 . 4.750 4.348 3.580 4.816 0.066 13 0 "[ . 1 . 2]" 1
675 1 46 TYR QE 1 49 TYR QD 4.000 . 4.750 4.108 3.594 4.662 . 0 0 "[ . 1 . 2]" 1
676 1 46 TYR QE 1 49 TYR QE 4.000 . 4.750 4.173 2.890 4.773 0.023 11 0 "[ . 1 . 2]" 1
677 1 47 ILE HA 1 50 TYR H 4.000 . 4.750 3.828 3.519 4.120 . 0 0 "[ . 1 . 2]" 1
678 1 47 ILE HA 1 50 TYR QB 4.000 . 4.750 3.176 2.779 3.673 . 0 0 "[ . 1 . 2]" 1
679 1 47 ILE HA 1 50 TYR QD 4.000 . 4.750 3.617 2.711 4.545 . 0 0 "[ . 1 . 2]" 1
680 1 47 ILE HA 1 50 TYR QE 5.000 . 6.000 5.542 4.145 6.046 0.046 6 0 "[ . 1 . 2]" 1
681 1 48 ASN HA 1 51 ARG H 4.000 . 4.750 3.556 3.302 3.783 . 0 0 "[ . 1 . 2]" 1
682 1 48 ASN HA 1 51 ARG QB 3.000 . 3.500 2.694 2.185 3.507 0.007 2 0 "[ . 1 . 2]" 1
683 1 48 ASN HA 1 51 ARG QD 5.000 . 6.000 3.564 1.928 4.955 . 0 0 "[ . 1 . 2]" 1
684 1 49 TYR HA 1 52 GLN H 4.000 . 4.750 3.878 3.588 4.117 . 0 0 "[ . 1 . 2]" 1
685 1 49 TYR HA 1 52 GLN QB 3.000 . 3.500 3.469 3.153 3.557 0.057 7 0 "[ . 1 . 2]" 1
686 1 49 TYR HA 1 52 GLN QE 3.000 . 3.500 3.159 1.967 3.518 0.018 2 0 "[ . 1 . 2]" 1
687 1 50 TYR HA 1 53 GLN H 4.000 . 4.750 2.981 2.714 3.464 . 0 0 "[ . 1 . 2]" 1
688 1 50 TYR HA 1 53 GLN QB 4.000 . 4.750 2.654 1.888 4.240 . 0 0 "[ . 1 . 2]" 1
689 1 50 TYR HA 1 53 GLN QG 4.000 . 4.750 3.358 1.795 4.566 0.005 11 0 "[ . 1 . 2]" 1
690 1 50 TYR HA 1 53 GLN QE 5.000 . 6.000 4.497 1.957 5.697 . 0 0 "[ . 1 . 2]" 1
691 1 50 TYR QD 1 53 GLN QB 4.000 . 4.750 3.327 2.448 4.828 0.078 5 0 "[ . 1 . 2]" 1
692 1 50 TYR QD 1 53 GLN QG 4.000 . 4.750 3.553 2.380 4.648 . 0 0 "[ . 1 . 2]" 1
693 1 50 TYR QD 1 53 GLN QE 5.000 . 6.000 4.844 2.118 5.761 . 0 0 "[ . 1 . 2]" 1
694 1 50 TYR QE 1 53 GLN QB 5.000 . 6.000 4.796 4.088 5.734 . 0 0 "[ . 1 . 2]" 1
695 1 50 TYR QE 1 53 GLN QG 4.000 . 4.750 4.482 3.890 4.816 0.066 6 0 "[ . 1 . 2]" 1
696 1 50 TYR QE 1 53 GLN QE 5.000 . 6.000 5.459 2.553 6.036 0.036 6 0 "[ . 1 . 2]" 1
697 1 51 ARG HA 1 54 VAL H 5.000 . 6.000 5.012 3.909 5.988 . 0 0 "[ . 1 . 2]" 1
698 1 51 ARG HA 1 54 VAL MG1 5.000 . 6.000 5.084 4.321 5.435 . 0 0 "[ . 1 . 2]" 1
699 1 51 ARG HA 1 54 VAL MG2 3.000 . 3.500 2.808 2.279 3.193 . 0 0 "[ . 1 . 2]" 1
700 1 57 GLU H 1 60 GLU H 5.000 . 6.000 4.586 4.049 5.598 . 0 0 "[ . 1 . 2]" 1
701 1 57 GLU HA 1 60 GLU H 5.000 . 6.000 4.696 3.968 5.091 . 0 0 "[ . 1 . 2]" 1
702 1 58 PRO HA 1 61 ARG H 3.000 . 3.500 3.490 3.283 3.560 0.060 4 0 "[ . 1 . 2]" 1
703 1 58 PRO HA 1 61 ARG QD 3.000 . 3.500 2.622 1.788 3.499 0.012 3 0 "[ . 1 . 2]" 1
704 1 59 GLN H 1 62 ASP H 5.000 . 6.000 4.822 4.650 5.091 . 0 0 "[ . 1 . 2]" 1
705 1 59 GLN HA 1 62 ASP H 4.000 . 4.750 3.667 3.352 3.939 . 0 0 "[ . 1 . 2]" 1
706 1 59 GLN HA 1 62 ASP QB 3.000 . 3.500 2.705 2.464 2.900 . 0 0 "[ . 1 . 2]" 1
707 1 60 GLU H 1 63 LYS H 4.000 . 4.750 4.734 4.436 4.828 0.078 7 0 "[ . 1 . 2]" 1
708 1 60 GLU HA 1 63 LYS H 4.000 . 4.750 3.635 3.383 3.832 . 0 0 "[ . 1 . 2]" 1
709 1 60 GLU HA 1 63 LYS QB 3.000 . 3.500 2.909 2.516 3.069 . 0 0 "[ . 1 . 2]" 1
710 1 60 GLU HA 1 63 LYS QD 3.000 . 3.500 3.446 3.017 3.530 0.030 17 0 "[ . 1 . 2]" 1
711 1 60 GLU QB 1 63 LYS H 5.000 . 6.000 5.016 4.829 5.133 . 0 0 "[ . 1 . 2]" 1
712 1 61 ARG HA 1 64 ALA H 4.000 . 4.750 3.580 3.396 3.900 . 0 0 "[ . 1 . 2]" 1
713 1 61 ARG HA 1 64 ALA MB 4.000 . 4.750 2.732 2.446 3.144 . 0 0 "[ . 1 . 2]" 1
714 1 62 ASP HA 1 65 LEU H 3.000 . 3.500 3.529 3.344 3.598 0.098 6 0 "[ . 1 . 2]" 1
715 1 62 ASP HA 1 65 LEU HB3 4.000 . 4.750 3.854 3.483 4.245 . 0 0 "[ . 1 . 2]" 1
716 1 62 ASP HA 1 65 LEU HB2 3.000 . 3.500 2.508 2.274 2.783 . 0 0 "[ . 1 . 2]" 1
717 1 62 ASP HA 1 65 LEU MD1 4.000 . 4.750 4.192 3.755 4.841 0.091 15 0 "[ . 1 . 2]" 1
718 1 63 LYS HA 1 66 GLN H 3.000 . 3.500 3.504 3.360 3.571 0.071 6 0 "[ . 1 . 2]" 1
719 1 63 LYS HA 1 66 GLN QB 4.000 . 4.750 3.832 2.923 4.228 . 0 0 "[ . 1 . 2]" 1
720 1 63 LYS HA 1 66 GLN QG 3.000 . 3.500 1.988 1.837 2.336 . 0 0 "[ . 1 . 2]" 1
721 1 63 LYS HA 1 66 GLN QE 4.000 . 4.750 3.045 1.983 4.670 . 0 0 "[ . 1 . 2]" 1
722 1 63 LYS QG 1 66 GLN QG 3.000 . 3.500 3.315 3.004 3.545 0.045 5 0 "[ . 1 . 2]" 1
723 1 64 ALA HA 1 67 GLU QB 3.000 . 3.500 2.680 2.310 3.171 . 0 0 "[ . 1 . 2]" 1
724 1 65 LEU HA 1 68 LEU QD 5.000 . 6.000 3.519 2.800 4.259 . 0 0 "[ . 1 . 2]" 1
725 1 66 GLN HA 1 69 ARG H 3.000 . 3.500 3.502 3.384 3.579 0.079 15 0 "[ . 1 . 2]" 1
726 1 67 GLU HA 1 70 GLN H 3.000 . 3.500 3.516 3.326 3.563 0.063 20 0 "[ . 1 . 2]" 1
727 1 67 GLU HA 1 70 GLN QB 4.000 . 4.750 2.886 2.462 3.922 . 0 0 "[ . 1 . 2]" 1
728 1 67 GLU HA 1 70 GLN QE 5.000 . 6.000 4.942 3.250 6.066 0.066 16 0 "[ . 1 . 2]" 1
729 1 68 LEU HA 1 71 GLU QB 4.000 . 4.750 2.525 2.287 2.962 . 0 0 "[ . 1 . 2]" 1
730 1 68 LEU QD 1 71 GLU H 5.000 . 6.000 4.616 4.273 4.927 . 0 0 "[ . 1 . 2]" 1
731 1 68 LEU QD 1 71 GLU HA 5.000 . 6.000 5.724 5.324 5.999 . 0 0 "[ . 1 . 2]" 1
732 1 68 LEU QD 1 71 GLU QB 3.000 . 3.500 3.236 2.946 3.514 0.014 5 0 "[ . 1 . 2]" 1
733 1 69 ARG H 1 72 LEU MD1 5.000 . 6.000 3.889 3.408 5.987 . 0 0 "[ . 1 . 2]" 1
734 1 69 ARG HA 1 72 LEU H 4.000 . 4.750 3.645 3.491 3.863 . 0 0 "[ . 1 . 2]" 1
735 1 69 ARG HA 1 72 LEU HG 4.000 . 4.750 4.193 3.735 4.771 0.021 18 0 "[ . 1 . 2]" 1
736 1 69 ARG HA 1 72 LEU MD1 5.000 . 6.000 2.361 1.943 3.720 . 0 0 "[ . 1 . 2]" 1
737 1 69 ARG HA 1 72 LEU QB 3.000 . 3.500 3.024 2.833 3.306 . 0 0 "[ . 1 . 2]" 1
738 1 70 GLN HA 1 73 ASN H 3.000 . 3.500 3.484 3.374 3.559 0.059 9 0 "[ . 1 . 2]" 1
739 1 70 GLN HA 1 73 ASN QB 3.000 . 3.500 2.401 2.033 2.892 . 0 0 "[ . 1 . 2]" 1
740 1 70 GLN HA 1 73 ASN QD 4.000 . 4.750 3.462 1.827 4.530 . 0 0 "[ . 1 . 2]" 1
741 1 71 GLU HA 1 74 THR H 4.000 . 4.750 3.792 3.705 3.993 . 0 0 "[ . 1 . 2]" 1
742 1 71 GLU HA 1 74 THR HB 4.000 . 4.750 4.161 3.410 4.754 0.004 15 0 "[ . 1 . 2]" 1
743 1 71 GLU HA 1 74 THR MG 4.000 . 4.750 3.907 2.184 4.759 0.009 13 0 "[ . 1 . 2]" 1
744 1 72 LEU H 1 75 LEU HB3 5.000 . 6.000 6.029 6.002 6.049 0.049 16 0 "[ . 1 . 2]" 1
745 1 72 LEU HA 1 75 LEU H 4.000 . 4.750 3.585 3.448 3.814 . 0 0 "[ . 1 . 2]" 1
746 1 72 LEU HA 1 75 LEU MD1 5.000 . 6.000 2.967 2.606 3.228 . 0 0 "[ . 1 . 2]" 1
747 1 72 LEU HA 1 75 LEU MD2 5.000 . 6.000 4.867 4.717 4.992 . 0 0 "[ . 1 . 2]" 1
748 1 72 LEU MD2 1 75 LEU HB3 5.000 . 6.000 4.530 3.466 4.831 . 0 0 "[ . 1 . 2]" 1
749 1 72 LEU MD2 1 75 LEU HG 5.000 . 6.000 5.385 4.762 5.743 . 0 0 "[ . 1 . 2]" 1
750 1 72 LEU MD2 1 75 LEU MD1 5.000 . 6.000 3.390 3.079 3.639 . 0 0 "[ . 1 . 2]" 1
751 1 72 LEU MD2 1 75 LEU MD2 5.000 . 6.000 5.428 4.902 5.670 . 0 0 "[ . 1 . 2]" 1
752 1 73 ASN HA 1 76 ALA H 4.000 . 4.750 4.171 3.892 4.324 . 0 0 "[ . 1 . 2]" 1
753 1 73 ASN HA 1 76 ALA MB 4.000 . 4.750 3.574 3.316 3.800 . 0 0 "[ . 1 . 2]" 1
754 1 74 THR HA 1 77 ASN H 3.000 . 3.500 3.422 3.259 3.552 0.052 4 0 "[ . 1 . 2]" 1
755 1 74 THR HA 1 77 ASN QB 4.000 . 4.750 2.425 2.138 2.706 . 0 0 "[ . 1 . 2]" 1
756 1 74 THR MG 1 77 ASN QB 5.000 . 6.000 3.901 3.208 4.843 . 0 0 "[ . 1 . 2]" 1
757 1 76 ALA HA 1 79 PHE H 3.000 . 3.500 3.341 3.262 3.428 . 0 0 "[ . 1 . 2]" 1
758 1 76 ALA MB 1 79 PHE H 5.000 . 6.000 4.384 4.293 4.512 . 0 0 "[ . 1 . 2]" 1
759 1 76 ALA MB 1 79 PHE QD 4.000 . 4.750 4.314 3.903 4.777 0.027 14 0 "[ . 1 . 2]" 1
760 1 78 PRO HA 1 81 ALA H 4.000 . 4.750 3.807 3.484 4.014 . 0 0 "[ . 1 . 2]" 1
761 1 78 PRO HA 1 81 ALA MB 3.000 . 3.500 2.844 2.334 3.114 . 0 0 "[ . 1 . 2]" 1
762 1 78 PRO QB 1 81 ALA MB 5.000 . 6.000 4.308 3.900 4.528 . 0 0 "[ . 1 . 2]" 1
763 1 79 PHE HA 1 82 LYS H 4.000 . 4.750 3.722 3.476 3.996 . 0 0 "[ . 1 . 2]" 1
764 1 80 LEU HA 1 83 TYR H 3.000 . 3.500 3.531 3.442 3.572 0.072 19 0 "[ . 1 . 2]" 1
765 1 80 LEU HA 1 83 TYR HB2 3.000 . 3.500 3.138 2.860 3.512 0.012 15 0 "[ . 1 . 2]" 1
766 1 80 LEU HA 1 83 TYR QD 5.000 . 6.000 4.448 3.676 4.928 . 0 0 "[ . 1 . 2]" 1
767 1 81 ALA HA 1 84 ARG H 3.000 . 3.500 3.557 3.510 3.606 0.106 7 0 "[ . 1 . 2]" 1
768 1 82 LYS HA 1 85 ASP H 5.000 . 6.000 3.672 3.398 4.097 . 0 0 "[ . 1 . 2]" 1
769 1 82 LYS HA 1 85 ASP QB 3.000 . 3.500 2.842 2.221 3.503 0.003 19 0 "[ . 1 . 2]" 1
770 1 83 TYR HA 1 86 PHE H 4.000 . 4.750 3.281 3.152 3.493 . 0 0 "[ . 1 . 2]" 1
771 1 83 TYR HA 1 86 PHE HB3 3.000 . 3.500 2.389 1.990 2.752 . 0 0 "[ . 1 . 2]" 1
772 1 83 TYR HA 1 86 PHE HB2 4.000 . 4.750 3.422 3.191 3.885 . 0 0 "[ . 1 . 2]" 1
773 1 83 TYR HA 1 86 PHE QD 4.000 . 4.750 3.768 3.009 4.275 . 0 0 "[ . 1 . 2]" 1
774 1 83 TYR QD 1 86 PHE QD 5.000 . 6.000 3.851 2.718 4.456 . 0 0 "[ . 1 . 2]" 1
775 1 83 TYR QE 1 86 PHE HB3 5.000 . 6.000 4.855 4.358 5.134 . 0 0 "[ . 1 . 2]" 1
776 1 83 TYR QE 1 86 PHE HB2 5.000 . 6.000 5.839 5.337 6.021 0.021 7 0 "[ . 1 . 2]" 1
777 1 83 TYR QE 1 86 PHE QD 4.000 . 4.750 3.798 2.767 4.411 . 0 0 "[ . 1 . 2]" 1
778 1 83 TYR QE 1 86 PHE QE 4.000 . 4.750 4.094 2.914 4.769 0.019 5 0 "[ . 1 . 2]" 1
779 1 87 LEU HA 1 90 HIS H 4.000 . 4.750 4.160 3.636 4.777 0.027 18 0 "[ . 1 . 2]" 1
780 1 87 LEU HA 1 90 HIS HD2 5.000 . 6.000 4.782 2.941 6.013 0.013 17 0 "[ . 1 . 2]" 1
781 1 87 LEU HA 1 90 HIS QB 4.000 . 4.750 4.069 2.880 4.847 0.097 1 0 "[ . 1 . 2]" 1
782 1 87 LEU QD 1 90 HIS HD2 5.000 . 6.000 4.982 2.126 6.015 0.015 10 0 "[ . 1 . 2]" 1
783 1 3 LYS HA 1 7 ASP H 4.000 . 4.750 4.022 3.823 4.188 . 0 0 "[ . 1 . 2]" 1
784 1 4 ALA HA 1 8 LEU H 4.000 . 4.750 4.260 4.160 4.358 . 0 0 "[ . 1 . 2]" 1
785 1 5 ASN HA 1 9 ILE H 4.000 . 4.750 4.305 4.055 4.530 . 0 0 "[ . 1 . 2]" 1
786 1 6 LYS HA 1 10 SER H 4.000 . 4.750 3.838 3.633 3.946 . 0 0 "[ . 1 . 2]" 1
787 1 7 ASP HA 1 11 ALA H 4.000 . 4.750 4.023 3.548 4.304 . 0 0 "[ . 1 . 2]" 1
788 1 8 LEU HA 1 12 GLY H 4.000 . 4.750 4.386 4.305 4.508 . 0 0 "[ . 1 . 2]" 1
789 1 8 LEU MD1 1 12 GLY H 5.000 . 6.000 4.666 3.613 5.830 . 0 0 "[ . 1 . 2]" 1
790 1 9 ILE HA 1 13 LEU H 4.000 . 4.750 4.162 3.932 4.439 . 0 0 "[ . 1 . 2]" 1
791 1 10 SER HA 1 14 LYS H 5.000 . 6.000 3.621 3.438 3.822 . 0 0 "[ . 1 . 2]" 1
792 1 11 ALA HA 1 15 GLU H 5.000 . 6.000 3.927 3.773 4.058 . 0 0 "[ . 1 . 2]" 1
793 1 14 LYS HA 1 18 VAL H 4.000 . 4.750 3.675 3.265 3.947 . 0 0 "[ . 1 . 2]" 1
794 1 14 LYS HA 1 18 VAL MG2 3.000 . 3.500 3.378 2.968 3.565 0.065 16 0 "[ . 1 . 2]" 1
795 1 15 GLU HA 1 19 LEU MD2 5.000 . 6.000 5.697 5.315 6.010 0.010 16 0 "[ . 1 . 2]" 1
796 1 16 PHE HA 1 20 LEU H 4.000 . 4.750 3.854 3.564 4.221 . 0 0 "[ . 1 . 2]" 1
797 1 16 PHE HZ 1 20 LEU MD1 5.000 . 6.000 3.606 2.885 5.084 . 0 0 "[ . 1 . 2]" 1
798 1 16 PHE HZ 1 20 LEU MD2 5.000 . 6.000 2.811 2.262 4.327 . 0 0 "[ . 1 . 2]" 1
799 1 16 PHE QD 1 20 LEU MD1 5.000 . 6.000 3.150 2.389 5.188 . 0 0 "[ . 1 . 2]" 1
800 1 16 PHE QD 1 20 LEU MD2 5.000 . 6.000 3.488 2.398 5.171 . 0 0 "[ . 1 . 2]" 1
801 1 16 PHE QE 1 20 LEU HA 4.000 . 4.750 4.616 4.084 4.776 0.026 2 0 "[ . 1 . 2]" 1
802 1 16 PHE QE 1 20 LEU MD1 4.000 . 4.750 3.192 2.556 4.751 0.001 11 0 "[ . 1 . 2]" 1
803 1 16 PHE QE 1 20 LEU MD2 5.000 . 6.000 2.371 1.931 4.018 . 0 0 "[ . 1 . 2]" 1
804 1 17 SER HA 1 21 ASN H 5.000 . 6.000 4.098 3.742 4.435 . 0 0 "[ . 1 . 2]" 1
805 1 18 VAL HA 1 22 GLN H 4.000 . 4.750 4.229 3.263 4.821 0.071 16 0 "[ . 1 . 2]" 1
806 1 18 VAL MG1 1 22 GLN QG 4.000 . 4.750 3.033 1.876 3.908 . 0 0 "[ . 1 . 2]" 1
807 1 18 VAL MG2 1 22 GLN QG 5.000 . 6.000 5.329 4.351 6.046 0.046 13 0 "[ . 1 . 2]" 1
808 1 19 LEU HG 1 23 GLN QE 5.000 . 6.000 4.554 2.871 5.955 . 0 0 "[ . 1 . 2]" 1
809 1 19 LEU MD1 1 23 GLN QG 5.000 . 6.000 4.626 3.167 6.011 0.011 12 0 "[ . 1 . 2]" 1
810 1 19 LEU MD1 1 23 GLN QE 5.000 . 6.000 4.806 3.570 5.959 . 0 0 "[ . 1 . 2]" 1
811 1 25 PHE HA 1 29 LEU MD1 5.000 . 6.000 3.840 2.458 5.352 . 0 0 "[ . 1 . 2]" 1
812 1 30 VAL HB 1 34 ASP H 5.000 . 6.000 6.010 5.789 6.122 0.122 3 0 "[ . 1 . 2]" 1
813 1 30 VAL MG1 1 34 ASP QB 5.000 . 6.000 3.396 1.777 4.216 0.023 9 0 "[ . 1 . 2]" 1
814 1 30 VAL MG2 1 34 ASP QB 5.000 . 6.000 1.745 1.686 1.869 0.114 3 0 "[ . 1 . 2]" 1
815 1 32 GLU HA 1 36 VAL H 4.000 . 4.750 3.474 3.356 3.574 . 0 0 "[ . 1 . 2]" 1
816 1 32 GLU HA 1 36 VAL MG2 4.000 . 4.750 3.446 3.195 3.739 . 0 0 "[ . 1 . 2]" 1
817 1 32 GLU QB 1 36 VAL MG2 4.000 . 4.750 2.707 2.263 3.059 . 0 0 "[ . 1 . 2]" 1
818 1 35 MET HA 1 39 VAL MG2 5.000 . 6.000 3.614 3.095 4.024 . 0 0 "[ . 1 . 2]" 1
819 1 35 MET ME 1 39 VAL MG1 5.000 . 6.000 4.901 4.176 5.551 . 0 0 "[ . 1 . 2]" 1
820 1 35 MET ME 1 39 VAL MG2 5.000 . 6.000 2.791 2.149 3.308 . 0 0 "[ . 1 . 2]" 1
821 1 36 VAL MG1 1 40 GLU QB 3.000 . 3.500 3.375 3.125 3.516 0.016 1 0 "[ . 1 . 2]" 1
822 1 37 THR MG 1 41 ASP H 5.000 . 6.000 4.114 3.769 4.845 . 0 0 "[ . 1 . 2]" 1
823 1 37 THR MG 1 41 ASP HA 5.000 . 6.000 5.443 5.075 6.037 0.037 15 0 "[ . 1 . 2]" 1
824 1 37 THR MG 1 41 ASP QB 5.000 . 6.000 3.665 3.339 4.371 . 0 0 "[ . 1 . 2]" 1
825 1 38 VAL MG1 1 42 TRP HD1 5.000 . 6.000 3.983 3.543 4.358 . 0 0 "[ . 1 . 2]" 1
826 1 38 VAL MG1 1 42 TRP HE1 5.000 . 6.000 3.041 2.607 3.442 . 0 0 "[ . 1 . 2]" 1
827 1 38 VAL MG1 1 42 TRP HZ2 5.000 . 6.000 2.633 2.431 2.870 . 0 0 "[ . 1 . 2]" 1
828 1 38 VAL MG1 1 42 TRP HZ3 5.000 . 6.000 3.590 2.917 4.257 . 0 0 "[ . 1 . 2]" 1
829 1 38 VAL MG1 1 42 TRP HH2 5.000 . 6.000 3.029 2.536 3.533 . 0 0 "[ . 1 . 2]" 1
830 1 39 VAL MG1 1 43 MET H 5.000 . 6.000 3.952 3.787 4.099 . 0 0 "[ . 1 . 2]" 1
831 1 39 VAL MG1 1 43 MET ME 4.000 . 4.750 2.212 1.792 3.269 0.008 8 0 "[ . 1 . 2]" 1
832 1 39 VAL MG1 1 43 MET QG 5.000 . 6.000 3.390 2.548 4.743 . 0 0 "[ . 1 . 2]" 1
833 1 40 GLU QB 1 44 ASN QD 5.000 . 6.000 4.299 2.463 6.000 . 0 0 "[ . 1 . 2]" 1
834 1 40 GLU QG 1 44 ASN QD 5.000 . 6.000 4.768 3.256 6.020 0.020 5 0 "[ . 1 . 2]" 1
835 1 42 TRP HA 1 46 TYR QE 5.000 . 6.000 4.670 4.208 5.569 . 0 0 "[ . 1 . 2]" 1
836 1 45 PHE QD 1 49 TYR QD 5.000 . 6.000 2.969 2.788 3.327 . 0 0 "[ . 1 . 2]" 1
837 1 45 PHE QD 1 49 TYR QE 4.000 . 4.750 4.821 4.764 4.875 0.125 1 0 "[ . 1 . 2]" 1
838 1 45 PHE QE 1 49 TYR QD 4.000 . 4.750 2.209 1.859 2.917 . 0 0 "[ . 1 . 2]" 1
839 1 45 PHE QE 1 49 TYR QE 3.000 . 3.500 3.225 2.781 3.513 0.013 11 0 "[ . 1 . 2]" 1
840 1 46 TYR HA 1 50 TYR H 4.000 . 4.750 3.571 3.283 4.143 . 0 0 "[ . 1 . 2]" 1
841 1 46 TYR HA 1 50 TYR QD 4.000 . 4.750 3.671 2.848 4.518 . 0 0 "[ . 1 . 2]" 1
842 1 46 TYR QB 1 50 TYR QD 3.000 . 3.500 2.760 2.198 3.630 0.130 6 0 "[ . 1 . 2]" 1
843 1 46 TYR QB 1 50 TYR QE 4.000 . 4.750 2.635 1.849 3.700 . 0 0 "[ . 1 . 2]" 1
844 1 46 TYR QD 1 50 TYR QE 3.000 . 3.500 2.565 1.997 3.523 0.023 14 0 "[ . 1 . 2]" 1
845 1 47 ILE MG 1 51 ARG HE 4.000 . 4.750 4.240 3.058 4.771 0.021 6 0 "[ . 1 . 2]" 1
846 1 47 ILE QG 1 51 ARG QB 4.000 . 4.750 3.551 3.040 4.381 . 0 0 "[ . 1 . 2]" 1
847 1 49 TYR QD 1 53 GLN QB 4.000 . 4.750 3.792 2.771 4.815 0.065 6 0 "[ . 1 . 2]" 1
848 1 49 TYR QD 1 53 GLN QG 4.000 . 4.750 3.753 2.037 4.789 0.039 15 0 "[ . 1 . 2]" 1
849 1 49 TYR QD 1 53 GLN QE 3.000 . 3.500 3.229 2.257 3.610 0.110 7 0 "[ . 1 . 2]" 1
850 1 49 TYR QE 1 53 GLN H 5.000 . 6.000 5.545 4.875 6.031 0.031 7 0 "[ . 1 . 2]" 1
851 1 49 TYR QE 1 53 GLN QB 4.000 . 4.750 3.673 2.830 4.771 0.021 15 0 "[ . 1 . 2]" 1
852 1 49 TYR QE 1 53 GLN QG 4.000 . 4.750 3.163 2.119 4.528 . 0 0 "[ . 1 . 2]" 1
853 1 49 TYR QE 1 53 GLN QE 4.000 . 4.750 2.164 1.793 3.584 0.007 7 0 "[ . 1 . 2]" 1
854 1 50 TYR QB 1 54 VAL QG 5.000 . 6.000 3.551 2.874 4.343 . 0 0 "[ . 1 . 2]" 1
855 1 57 GLU H 1 61 ARG H 5.000 . 6.000 5.390 4.817 5.974 . 0 0 "[ . 1 . 2]" 1
856 1 64 ALA HA 1 68 LEU QD 4.000 . 4.750 4.079 3.532 4.770 0.020 5 0 "[ . 1 . 2]" 1
857 1 64 ALA MB 1 68 LEU QD 3.000 . 3.500 3.215 2.651 3.519 0.019 16 0 "[ . 1 . 2]" 1
858 1 68 LEU QB 1 72 LEU MD1 5.000 . 6.000 2.970 2.509 5.644 . 0 0 "[ . 1 . 2]" 1
859 1 68 LEU QD 1 72 LEU H 5.000 . 6.000 4.249 3.266 4.892 . 0 0 "[ . 1 . 2]" 1
860 1 68 LEU QD 1 72 LEU HG 4.000 . 4.750 3.295 1.927 4.242 . 0 0 "[ . 1 . 2]" 1
861 1 68 LEU QD 1 72 LEU MD1 5.000 . 6.000 2.732 1.790 4.823 0.010 5 0 "[ . 1 . 2]" 1
862 1 68 LEU QD 1 72 LEU MD2 5.000 . 6.000 3.461 2.852 4.413 . 0 0 "[ . 1 . 2]" 1
863 1 69 ARG HA 1 73 ASN H 4.000 . 4.750 3.881 3.708 4.110 . 0 0 "[ . 1 . 2]" 1
864 1 69 ARG QG 1 73 ASN QD 4.000 . 4.750 3.491 1.913 4.765 0.015 15 0 "[ . 1 . 2]" 1
865 1 70 GLN QE 1 74 THR MG 5.000 . 6.000 4.836 3.096 6.000 0.000 12 0 "[ . 1 . 2]" 1
866 1 71 GLU HA 1 75 LEU MD2 4.000 . 4.750 4.748 4.614 4.777 0.027 13 0 "[ . 1 . 2]" 1
867 1 73 ASN HA 1 77 ASN H 4.000 . 4.750 4.494 4.235 4.751 0.001 8 0 "[ . 1 . 2]" 1
868 1 76 ALA HA 1 80 LEU H 5.000 . 6.000 4.042 3.663 4.379 . 0 0 "[ . 1 . 2]" 1
869 1 76 ALA MB 1 80 LEU H 5.000 . 6.000 4.043 3.763 4.291 . 0 0 "[ . 1 . 2]" 1
870 1 79 PHE HA 1 83 TYR H 4.000 . 4.750 4.009 3.819 4.278 . 0 0 "[ . 1 . 2]" 1
871 1 79 PHE QD 1 83 TYR HA 5.000 . 6.000 5.008 4.464 6.006 0.006 13 0 "[ . 1 . 2]" 1
872 1 79 PHE QD 1 83 TYR HB3 4.000 . 4.750 4.432 3.943 4.772 0.022 1 0 "[ . 1 . 2]" 1
873 1 79 PHE QE 1 83 TYR HA 5.000 . 6.000 5.009 4.285 6.023 0.023 9 0 "[ . 1 . 2]" 1
874 1 81 ALA HA 1 85 ASP H 4.000 . 4.750 4.026 3.561 4.346 . 0 0 "[ . 1 . 2]" 1
875 1 83 TYR HA 1 87 LEU H 4.000 . 4.750 4.130 3.844 4.443 . 0 0 "[ . 1 . 2]" 1
876 1 83 TYR QD 1 87 LEU QD 5.000 . 6.000 3.199 1.960 4.391 . 0 0 "[ . 1 . 2]" 1
877 1 83 TYR QE 1 87 LEU HA 5.000 . 6.000 5.947 5.538 6.033 0.033 10 0 "[ . 1 . 2]" 1
878 1 83 TYR QE 1 87 LEU HG 5.000 . 6.000 4.976 3.795 6.007 0.007 3 0 "[ . 1 . 2]" 1
879 1 83 TYR QE 1 87 LEU QD 4.000 . 4.750 2.851 2.260 4.255 . 0 0 "[ . 1 . 2]" 1
880 1 86 PHE HZ 1 90 HIS HE1 5.000 . 6.000 4.427 2.232 6.015 0.015 10 0 "[ . 1 . 2]" 1
881 1 86 PHE QD 1 90 HIS HE1 4.000 . 4.750 3.990 2.629 4.810 0.060 18 0 "[ . 1 . 2]" 1
882 1 86 PHE QE 1 90 HIS HE1 5.000 . 6.000 3.267 1.970 4.259 . 0 0 "[ . 1 . 2]" 1
883 1 5 ASN QD 1 55 THR H 4.000 . 4.750 3.701 2.002 4.795 0.045 6 0 "[ . 1 . 2]" 1
884 1 5 ASN QD 1 55 THR MG 5.000 . 6.000 4.764 1.800 6.055 0.055 14 0 "[ . 1 . 2]" 1
885 1 5 ASN QD 1 64 ALA MB 5.000 . 6.000 4.711 3.199 5.972 . 0 0 "[ . 1 . 2]" 1
886 1 8 LEU MD1 1 49 TYR QD 5.000 . 6.000 4.769 3.241 5.715 . 0 0 "[ . 1 . 2]" 1
887 1 8 LEU MD1 1 49 TYR QE 5.000 . 6.000 3.951 1.888 5.655 . 0 0 "[ . 1 . 2]" 1
888 1 8 LEU MD2 1 49 TYR QD 5.000 . 6.000 4.878 2.629 5.682 . 0 0 "[ . 1 . 2]" 1
889 1 8 LEU MD2 1 49 TYR QE 5.000 . 6.000 4.270 2.788 5.649 . 0 0 "[ . 1 . 2]" 1
890 1 8 LEU HA 1 50 TYR QD 5.000 . 6.000 5.765 5.171 6.079 0.079 5 0 "[ . 1 . 2]" 1
891 1 8 LEU HA 1 50 TYR QE 4.000 . 4.750 4.513 4.037 4.803 0.053 6 0 "[ . 1 . 2]" 1
892 1 8 LEU HG 1 50 TYR QD 4.000 . 4.750 3.450 2.734 4.662 . 0 0 "[ . 1 . 2]" 1
893 1 8 LEU MD1 1 50 TYR HA 4.000 . 4.750 3.946 2.954 4.771 0.021 16 0 "[ . 1 . 2]" 1
894 1 8 LEU MD1 1 50 TYR QD 4.000 . 4.750 2.922 1.824 4.177 . 0 0 "[ . 1 . 2]" 1
895 1 8 LEU MD1 1 50 TYR QE 3.000 . 3.500 2.780 1.812 3.535 0.035 13 0 "[ . 1 . 2]" 1
896 1 8 LEU MD2 1 50 TYR HA 4.000 . 4.750 3.720 2.652 4.797 0.047 7 0 "[ . 1 . 2]" 1
897 1 8 LEU QB 1 50 TYR QD 4.000 . 4.750 4.475 3.949 4.793 0.043 4 0 "[ . 1 . 2]" 1
898 1 8 LEU QB 1 50 TYR QE 4.000 . 4.750 4.329 2.978 4.787 0.037 2 0 "[ . 1 . 2]" 1
899 1 8 LEU MD1 1 53 GLN HA 5.000 . 6.000 5.266 4.254 6.052 0.052 19 0 "[ . 1 . 2]" 1
900 1 8 LEU MD1 1 53 GLN QB 4.000 . 4.750 3.155 2.422 3.633 . 0 0 "[ . 1 . 2]" 1
901 1 8 LEU MD2 1 53 GLN QB 4.000 . 4.750 2.865 1.777 3.974 0.023 13 0 "[ . 1 . 2]" 1
902 1 9 ILE HA 1 68 LEU QD 5.000 . 6.000 2.901 2.420 4.177 . 0 0 "[ . 1 . 2]" 1
903 1 12 GLY QA 1 46 TYR QE 3.000 . 3.500 3.181 2.359 3.527 0.027 2 0 "[ . 1 . 2]" 1
904 1 12 GLY H 1 50 TYR QE 4.000 . 4.750 4.004 3.118 4.445 . 0 0 "[ . 1 . 2]" 1
905 1 12 GLY QA 1 50 TYR QD 5.000 . 6.000 4.711 4.229 5.095 . 0 0 "[ . 1 . 2]" 1
906 1 12 GLY QA 1 50 TYR QE 3.000 . 3.500 2.882 2.162 3.359 . 0 0 "[ . 1 . 2]" 1
907 1 13 LEU H 1 75 LEU MD1 5.000 . 6.000 5.904 5.364 6.055 0.055 2 0 "[ . 1 . 2]" 1
908 1 13 LEU HB3 1 75 LEU MD1 5.000 . 6.000 4.753 4.251 5.326 . 0 0 "[ . 1 . 2]" 1
909 1 13 LEU HB2 1 75 LEU MD1 5.000 . 6.000 5.561 5.053 5.898 . 0 0 "[ . 1 . 2]" 1
910 1 16 PHE QE 1 35 MET ME 5.000 . 6.000 5.797 5.287 6.068 0.068 11 0 "[ . 1 . 2]" 1
911 1 16 PHE HZ 1 39 VAL MG1 4.000 . 4.750 3.037 2.592 3.590 . 0 0 "[ . 1 . 2]" 1
912 1 16 PHE HZ 1 39 VAL MG2 4.000 . 4.750 4.270 3.346 4.754 0.004 19 0 "[ . 1 . 2]" 1
913 1 16 PHE QE 1 39 VAL MG1 4.000 . 4.750 3.729 2.996 4.198 . 0 0 "[ . 1 . 2]" 1
914 1 16 PHE QE 1 39 VAL MG2 4.000 . 4.750 4.265 3.805 4.751 0.001 19 0 "[ . 1 . 2]" 1
915 1 16 PHE QE 1 42 TRP HB3 4.000 . 4.750 4.586 4.045 4.768 0.018 12 0 "[ . 1 . 2]" 1
916 1 16 PHE QE 1 42 TRP HZ3 4.000 . 4.750 3.587 2.717 4.075 . 0 0 "[ . 1 . 2]" 1
917 1 16 PHE HZ 1 43 MET ME 4.000 . 4.750 4.569 4.051 4.761 0.011 8 0 "[ . 1 . 2]" 1
918 1 16 PHE QE 1 43 MET H 5.000 . 6.000 5.791 5.369 6.011 0.011 5 0 "[ . 1 . 2]" 1
919 1 16 PHE QE 1 43 MET QG 5.000 . 6.000 5.191 3.115 6.026 0.026 5 0 "[ . 1 . 2]" 1
920 1 16 PHE H 1 72 LEU MD2 5.000 . 6.000 5.500 5.085 6.029 0.029 18 0 "[ . 1 . 2]" 1
921 1 16 PHE HA 1 72 LEU MD2 5.000 . 6.000 5.215 4.693 5.822 . 0 0 "[ . 1 . 2]" 1
922 1 16 PHE HB3 1 72 LEU MD2 5.000 . 6.000 4.071 3.554 4.572 . 0 0 "[ . 1 . 2]" 1
923 1 16 PHE HB2 1 72 LEU MD2 5.000 . 6.000 3.558 3.059 4.154 . 0 0 "[ . 1 . 2]" 1
924 1 16 PHE QD 1 72 LEU HA 4.000 . 4.750 3.373 2.902 3.941 . 0 0 "[ . 1 . 2]" 1
925 1 16 PHE QD 1 72 LEU MD2 5.000 . 6.000 2.356 1.962 2.891 . 0 0 "[ . 1 . 2]" 1
926 1 16 PHE QE 1 72 LEU HA 3.000 . 3.500 2.472 1.962 3.244 . 0 0 "[ . 1 . 2]" 1
927 1 16 PHE QE 1 72 LEU MD2 5.000 . 6.000 2.416 1.961 3.064 . 0 0 "[ . 1 . 2]" 1
928 1 16 PHE H 1 75 LEU MD1 5.000 . 6.000 5.072 4.549 5.436 . 0 0 "[ . 1 . 2]" 1
929 1 16 PHE HB3 1 75 LEU MD1 5.000 . 6.000 2.982 2.308 3.461 . 0 0 "[ . 1 . 2]" 1
930 1 16 PHE HB2 1 75 LEU MD1 5.000 . 6.000 4.101 3.394 4.707 . 0 0 "[ . 1 . 2]" 1
931 1 16 PHE QD 1 75 LEU HB3 5.000 . 6.000 3.454 2.256 4.239 . 0 0 "[ . 1 . 2]" 1
932 1 16 PHE QE 1 75 LEU HB3 3.000 . 3.500 2.899 2.175 3.507 0.007 14 0 "[ . 1 . 2]" 1
933 1 16 PHE QE 1 75 LEU HB2 4.000 . 4.750 2.750 1.988 3.493 . 0 0 "[ . 1 . 2]" 1
934 1 16 PHE QE 1 76 ALA H 4.000 . 4.750 3.458 2.641 4.208 . 0 0 "[ . 1 . 2]" 1
935 1 16 PHE QE 1 76 ALA MB 4.000 . 4.750 3.069 2.555 3.587 . 0 0 "[ . 1 . 2]" 1
936 1 16 PHE QE 1 79 PHE QE 4.000 . 4.750 4.384 3.414 4.809 0.059 14 0 "[ . 1 . 2]" 1
937 1 17 SER H 1 75 LEU MD1 5.000 . 6.000 4.300 3.591 4.785 . 0 0 "[ . 1 . 2]" 1
938 1 17 SER HA 1 75 LEU MD1 4.000 . 4.750 4.164 3.166 4.762 0.012 9 0 "[ . 1 . 2]" 1
939 1 17 SER HA 1 75 LEU MD2 4.000 . 4.750 4.215 3.274 4.782 0.032 13 0 "[ . 1 . 2]" 1
940 1 19 LEU MD1 1 38 VAL MG1 5.000 . 6.000 4.717 3.999 5.186 . 0 0 "[ . 1 . 2]" 1
941 1 19 LEU MD2 1 38 VAL MG1 5.000 . 6.000 4.070 3.629 4.584 . 0 0 "[ . 1 . 2]" 1
942 1 19 LEU MD2 1 39 VAL HA 5.000 . 6.000 4.947 4.576 5.371 . 0 0 "[ . 1 . 2]" 1
943 1 19 LEU MD1 1 42 TRP HB3 5.000 . 6.000 5.942 5.608 6.019 0.019 20 0 "[ . 1 . 2]" 1
944 1 19 LEU MD1 1 42 TRP HE1 5.000 . 6.000 4.712 4.155 5.494 . 0 0 "[ . 1 . 2]" 1
945 1 19 LEU MD2 1 42 TRP HA 5.000 . 6.000 5.273 4.755 5.709 . 0 0 "[ . 1 . 2]" 1
946 1 19 LEU MD2 1 42 TRP HB3 5.000 . 6.000 3.774 3.450 4.156 . 0 0 "[ . 1 . 2]" 1
947 1 19 LEU MD2 1 42 TRP HD1 5.000 . 6.000 4.705 4.135 5.341 . 0 0 "[ . 1 . 2]" 1
948 1 19 LEU MD2 1 42 TRP HE1 5.000 . 6.000 4.099 3.521 4.907 . 0 0 "[ . 1 . 2]" 1
949 1 19 LEU MD2 1 42 TRP HE3 5.000 . 6.000 2.715 2.395 3.196 . 0 0 "[ . 1 . 2]" 1
950 1 19 LEU MD2 1 42 TRP HZ2 5.000 . 6.000 3.335 3.003 3.988 . 0 0 "[ . 1 . 2]" 1
951 1 19 LEU MD2 1 42 TRP HZ3 5.000 . 6.000 2.644 2.255 3.117 . 0 0 "[ . 1 . 2]" 1
952 1 19 LEU MD2 1 45 PHE QD 5.000 . 6.000 5.876 5.521 6.029 0.029 18 0 "[ . 1 . 2]" 1
953 1 19 LEU MD2 1 45 PHE QE 5.000 . 6.000 4.661 3.976 5.138 . 0 0 "[ . 1 . 2]" 1
954 1 19 LEU MD1 1 46 TYR QE 5.000 . 6.000 5.649 5.232 6.006 0.006 9 0 "[ . 1 . 2]" 1
955 1 19 LEU MD2 1 46 TYR QD 5.000 . 6.000 5.322 4.791 5.908 . 0 0 "[ . 1 . 2]" 1
956 1 19 LEU MD2 1 46 TYR QE 4.000 . 4.750 3.705 3.410 4.100 . 0 0 "[ . 1 . 2]" 1
957 1 19 LEU MD1 1 79 PHE QE 5.000 . 6.000 5.734 4.362 6.005 0.005 1 0 "[ . 1 . 2]" 1
958 1 19 LEU MD2 1 79 PHE QD 5.000 . 6.000 5.663 5.123 6.011 0.011 10 0 "[ . 1 . 2]" 1
959 1 19 LEU MD2 1 79 PHE QE 5.000 . 6.000 4.779 3.965 5.343 . 0 0 "[ . 1 . 2]" 1
960 1 20 LEU MD2 1 35 MET ME 5.000 . 6.000 4.830 4.041 5.591 . 0 0 "[ . 1 . 2]" 1
961 1 20 LEU MD1 1 39 VAL MG1 5.000 . 6.000 5.394 4.646 6.010 0.010 5 0 "[ . 1 . 2]" 1
962 1 20 LEU MD1 1 39 VAL MG2 5.000 . 6.000 5.811 5.101 6.028 0.028 8 0 "[ . 1 . 2]" 1
963 1 20 LEU MD2 1 39 VAL HA 5.000 . 6.000 5.580 4.812 6.047 0.047 11 0 "[ . 1 . 2]" 1
964 1 20 LEU MD2 1 39 VAL MG1 5.000 . 6.000 4.136 3.281 4.683 . 0 0 "[ . 1 . 2]" 1
965 1 20 LEU MD2 1 39 VAL MG2 5.000 . 6.000 4.063 3.435 4.664 . 0 0 "[ . 1 . 2]" 1
966 1 20 LEU HA 1 42 TRP HZ3 5.000 . 6.000 4.800 3.530 5.402 . 0 0 "[ . 1 . 2]" 1
967 1 20 LEU MD1 1 42 TRP HZ3 5.000 . 6.000 5.980 5.853 6.027 0.027 11 0 "[ . 1 . 2]" 1
968 1 20 LEU MD2 1 42 TRP HE3 5.000 . 6.000 4.450 3.982 5.143 . 0 0 "[ . 1 . 2]" 1
969 1 20 LEU MD2 1 42 TRP HZ3 5.000 . 6.000 3.925 3.428 4.216 . 0 0 "[ . 1 . 2]" 1
970 1 20 LEU MD2 1 42 TRP HH2 5.000 . 6.000 5.679 5.119 6.013 0.013 14 0 "[ . 1 . 2]" 1
971 1 20 LEU MD1 1 75 LEU H 5.000 . 6.000 5.659 4.954 6.045 0.045 11 0 "[ . 1 . 2]" 1
972 1 20 LEU MD1 1 75 LEU HA 5.000 . 6.000 4.160 3.764 4.666 . 0 0 "[ . 1 . 2]" 1
973 1 20 LEU MD1 1 75 LEU HB3 5.000 . 6.000 2.756 1.940 3.499 . 0 0 "[ . 1 . 2]" 1
974 1 20 LEU MD1 1 75 LEU HB2 5.000 . 6.000 4.137 3.238 5.019 . 0 0 "[ . 1 . 2]" 1
975 1 20 LEU MD1 1 75 LEU HG 5.000 . 6.000 4.934 4.320 5.826 . 0 0 "[ . 1 . 2]" 1
976 1 20 LEU MD1 1 75 LEU MD1 5.000 . 6.000 3.178 2.580 4.425 . 0 0 "[ . 1 . 2]" 1
977 1 20 LEU MD1 1 75 LEU MD2 5.000 . 6.000 3.018 2.581 3.653 . 0 0 "[ . 1 . 2]" 1
978 1 20 LEU MD2 1 75 LEU HA 5.000 . 6.000 5.374 4.811 6.009 0.009 20 0 "[ . 1 . 2]" 1
979 1 20 LEU MD2 1 75 LEU MD1 5.000 . 6.000 4.777 4.229 5.597 . 0 0 "[ . 1 . 2]" 1
980 1 20 LEU MD1 1 76 ALA H 5.000 . 6.000 4.827 3.949 5.462 . 0 0 "[ . 1 . 2]" 1
981 1 20 LEU MD1 1 76 ALA HA 5.000 . 6.000 4.018 3.054 4.618 . 0 0 "[ . 1 . 2]" 1
982 1 20 LEU MD1 1 76 ALA MB 5.000 . 6.000 4.559 3.835 5.341 . 0 0 "[ . 1 . 2]" 1
983 1 20 LEU MD2 1 76 ALA HA 5.000 . 6.000 3.456 2.531 4.030 . 0 0 "[ . 1 . 2]" 1
984 1 20 LEU MD2 1 76 ALA MB 5.000 . 6.000 4.053 3.135 4.734 . 0 0 "[ . 1 . 2]" 1
985 1 20 LEU HA 1 79 PHE QD 4.000 . 4.750 3.969 2.938 4.455 . 0 0 "[ . 1 . 2]" 1
986 1 20 LEU HA 1 79 PHE QE 3.000 . 3.500 3.309 2.137 3.575 0.075 16 0 "[ . 1 . 2]" 1
987 1 20 LEU MD1 1 79 PHE H 5.000 . 6.000 5.312 3.509 5.840 . 0 0 "[ . 1 . 2]" 1
988 1 20 LEU MD1 1 79 PHE HB3 5.000 . 6.000 4.981 3.093 5.703 . 0 0 "[ . 1 . 2]" 1
989 1 20 LEU MD1 1 79 PHE HB2 5.000 . 6.000 3.999 1.838 4.571 . 0 0 "[ . 1 . 2]" 1
990 1 20 LEU MD1 1 79 PHE QD 5.000 . 6.000 3.841 1.879 4.253 . 0 0 "[ . 1 . 2]" 1
991 1 20 LEU MD1 1 79 PHE QE 5.000 . 6.000 4.988 3.601 5.593 . 0 0 "[ . 1 . 2]" 1
992 1 20 LEU MD2 1 79 PHE H 5.000 . 6.000 4.635 3.734 5.382 . 0 0 "[ . 1 . 2]" 1
993 1 20 LEU MD2 1 79 PHE HA 5.000 . 6.000 4.530 3.253 5.100 . 0 0 "[ . 1 . 2]" 1
994 1 20 LEU MD2 1 79 PHE HB3 5.000 . 6.000 3.603 2.810 4.354 . 0 0 "[ . 1 . 2]" 1
995 1 20 LEU MD2 1 79 PHE HB2 4.000 . 4.750 2.760 1.920 3.455 . 0 0 "[ . 1 . 2]" 1
996 1 20 LEU MD2 1 79 PHE QD 5.000 . 6.000 1.885 1.775 2.217 0.025 14 0 "[ . 1 . 2]" 1
997 1 20 LEU MD2 1 79 PHE QE 5.000 . 6.000 2.602 2.049 3.176 . 0 0 "[ . 1 . 2]" 1
998 1 20 LEU QB 1 79 PHE HB2 4.000 . 4.750 4.448 3.466 4.820 0.070 13 0 "[ . 1 . 2]" 1
999 1 23 GLN QG 1 35 MET ME 5.000 . 6.000 3.790 2.607 5.975 . 0 0 "[ . 1 . 2]" 1
1000 1 23 GLN QE 1 35 MET ME 4.000 . 4.750 2.310 1.794 4.021 0.006 19 0 "[ . 1 . 2]" 1
1001 1 25 PHE HZ 1 35 MET ME 5.000 . 6.000 4.732 2.921 5.707 . 0 0 "[ . 1 . 2]" 1
1002 1 25 PHE QD 1 35 MET ME 5.000 . 6.000 5.644 4.636 6.013 0.013 13 0 "[ . 1 . 2]" 1
1003 1 25 PHE QE 1 35 MET ME 5.000 . 6.000 4.049 2.725 4.686 . 0 0 "[ . 1 . 2]" 1
1004 1 25 PHE HZ 1 79 PHE HA 5.000 . 6.000 4.652 3.192 6.045 0.045 18 0 "[ . 1 . 2]" 1
1005 1 25 PHE HZ 1 79 PHE QE 4.000 . 4.750 2.404 1.776 4.013 0.024 18 0 "[ . 1 . 2]" 1
1006 1 25 PHE QE 1 79 PHE QE 4.000 . 4.750 2.785 1.898 4.282 . 0 0 "[ . 1 . 2]" 1
1007 1 25 PHE QD 1 82 LYS QB 5.000 . 6.000 4.446 2.931 5.821 . 0 0 "[ . 1 . 2]" 1
1008 1 25 PHE HA 1 83 TYR QE 5.000 . 6.000 4.691 3.844 5.350 . 0 0 "[ . 1 . 2]" 1
1009 1 25 PHE HB2 1 83 TYR QE 5.000 . 6.000 5.250 4.044 6.035 0.035 10 0 "[ . 1 . 2]" 1
1010 1 25 PHE HZ 1 83 TYR H 5.000 . 6.000 5.378 4.273 6.042 0.042 18 0 "[ . 1 . 2]" 1
1011 1 25 PHE HZ 1 83 TYR HA 5.000 . 6.000 5.044 3.831 5.474 . 0 0 "[ . 1 . 2]" 1
1012 1 25 PHE HZ 1 83 TYR HB3 5.000 . 6.000 5.889 5.114 6.035 0.035 19 0 "[ . 1 . 2]" 1
1013 1 25 PHE HZ 1 83 TYR QD 5.000 . 6.000 3.283 2.422 4.444 . 0 0 "[ . 1 . 2]" 1
1014 1 25 PHE QD 1 83 TYR HA 5.000 . 6.000 4.320 3.858 4.934 . 0 0 "[ . 1 . 2]" 1
1015 1 25 PHE QD 1 83 TYR QD 5.000 . 6.000 3.394 2.402 4.103 . 0 0 "[ . 1 . 2]" 1
1016 1 25 PHE QD 1 83 TYR QE 5.000 . 6.000 2.781 2.044 3.661 . 0 0 "[ . 1 . 2]" 1
1017 1 25 PHE QE 1 83 TYR HA 5.000 . 6.000 4.067 3.457 4.694 . 0 0 "[ . 1 . 2]" 1
1018 1 25 PHE QE 1 83 TYR QE 5.000 . 6.000 2.829 1.980 4.365 . 0 0 "[ . 1 . 2]" 1
1019 1 25 PHE HA 1 86 PHE QE 5.000 . 6.000 4.274 3.328 4.878 . 0 0 "[ . 1 . 2]" 1
1020 1 25 PHE HB3 1 86 PHE QD 4.000 . 4.750 3.312 2.397 4.350 . 0 0 "[ . 1 . 2]" 1
1021 1 25 PHE HB3 1 86 PHE QE 5.000 . 6.000 3.127 2.298 4.042 . 0 0 "[ . 1 . 2]" 1
1022 1 25 PHE HB2 1 86 PHE HZ 5.000 . 6.000 4.947 2.711 6.031 0.031 9 0 "[ . 1 . 2]" 1
1023 1 25 PHE HB2 1 86 PHE QD 4.000 . 4.750 3.752 3.003 4.609 . 0 0 "[ . 1 . 2]" 1
1024 1 25 PHE HB2 1 86 PHE QE 4.000 . 4.750 3.925 2.813 4.761 0.011 19 0 "[ . 1 . 2]" 1
1025 1 25 PHE QD 1 86 PHE HB3 5.000 . 6.000 4.546 3.878 5.336 . 0 0 "[ . 1 . 2]" 1
1026 1 25 PHE QD 1 86 PHE HB2 4.000 . 4.750 4.092 2.744 4.761 0.011 14 0 "[ . 1 . 2]" 1
1027 1 26 ASN H 1 86 PHE QE 5.000 . 6.000 3.786 1.949 5.186 . 0 0 "[ . 1 . 2]" 1
1028 1 26 ASN HA 1 86 PHE HZ 4.000 . 4.750 4.454 3.074 4.797 0.047 18 0 "[ . 1 . 2]" 1
1029 1 26 ASN HA 1 86 PHE QE 4.000 . 4.750 3.558 1.947 4.795 0.045 1 0 "[ . 1 . 2]" 1
1030 1 27 ASP HA 1 86 PHE HZ 5.000 . 6.000 3.308 2.321 4.258 . 0 0 "[ . 1 . 2]" 1
1031 1 27 ASP HA 1 86 PHE QE 5.000 . 6.000 3.977 2.673 4.883 . 0 0 "[ . 1 . 2]" 1
1032 1 28 PRO HA 1 86 PHE HZ 5.000 . 6.000 3.171 1.987 4.186 . 0 0 "[ . 1 . 2]" 1
1033 1 28 PRO HA 1 86 PHE QD 4.000 . 4.750 4.474 3.300 4.799 0.049 19 0 "[ . 1 . 2]" 1
1034 1 28 PRO HA 1 86 PHE QE 3.000 . 3.500 2.732 1.979 3.505 0.005 18 0 "[ . 1 . 2]" 1
1035 1 28 PRO QG 1 86 PHE HZ 5.000 . 6.000 5.091 4.404 6.015 0.015 15 0 "[ . 1 . 2]" 1
1036 1 28 PRO QD 1 86 PHE HZ 5.000 . 6.000 3.736 3.144 4.451 . 0 0 "[ . 1 . 2]" 1
1037 1 28 PRO QD 1 86 PHE QE 5.000 . 6.000 4.152 3.542 4.826 . 0 0 "[ . 1 . 2]" 1
1038 1 29 LEU MD1 1 83 TYR QE 5.000 . 6.000 4.670 1.939 6.033 0.033 17 0 "[ . 1 . 2]" 1
1039 1 29 LEU H 1 86 PHE HZ 4.000 . 4.750 4.361 2.615 4.814 0.064 18 0 "[ . 1 . 2]" 1
1040 1 29 LEU H 1 86 PHE QE 5.000 . 6.000 4.030 2.253 5.206 . 0 0 "[ . 1 . 2]" 1
1041 1 29 LEU MD1 1 86 PHE QD 5.000 . 6.000 5.627 4.293 6.054 0.054 8 0 "[ . 1 . 2]" 1
1042 1 29 LEU QB 1 86 PHE QD 5.000 . 6.000 5.597 4.179 6.091 0.091 1 0 "[ . 1 . 2]" 1
1043 1 30 VAL MG1 1 35 MET ME 4.000 . 4.750 3.792 3.167 4.700 . 0 0 "[ . 1 . 2]" 1
1044 1 30 VAL MG2 1 35 MET ME 4.000 . 4.750 4.461 3.610 4.813 0.063 9 0 "[ . 1 . 2]" 1
1045 1 30 VAL MG2 1 83 TYR QE 5.000 . 6.000 3.598 2.448 5.480 . 0 0 "[ . 1 . 2]" 1
1046 1 31 SER HA 1 83 TYR QE 5.000 . 6.000 3.775 2.640 5.010 . 0 0 "[ . 1 . 2]" 1
1047 1 32 GLU HA 1 37 THR H 5.000 . 6.000 6.018 5.951 6.045 0.045 7 0 "[ . 1 . 2]" 1
1048 1 32 GLU HA 1 83 TYR QD 5.000 . 6.000 2.707 1.928 3.920 . 0 0 "[ . 1 . 2]" 1
1049 1 32 GLU HA 1 83 TYR QE 4.000 . 4.750 2.700 1.888 3.796 . 0 0 "[ . 1 . 2]" 1
1050 1 32 GLU QG 1 83 TYR QD 5.000 . 6.000 3.286 1.866 5.280 . 0 0 "[ . 1 . 2]" 1
1051 1 32 GLU QG 1 83 TYR QE 5.000 . 6.000 3.911 1.974 5.735 . 0 0 "[ . 1 . 2]" 1
1052 1 32 GLU H 1 87 LEU QD 5.000 . 6.000 2.696 2.028 4.280 . 0 0 "[ . 1 . 2]" 1
1053 1 32 GLU QG 1 87 LEU QD 5.000 . 6.000 2.668 1.759 4.148 0.041 3 0 "[ . 1 . 2]" 1
1054 1 35 MET ME 1 42 TRP HZ3 5.000 . 6.000 3.419 2.861 4.224 . 0 0 "[ . 1 . 2]" 1
1055 1 35 MET ME 1 42 TRP HH2 5.000 . 6.000 3.379 2.568 3.966 . 0 0 "[ . 1 . 2]" 1
1056 1 35 MET ME 1 79 PHE QD 5.000 . 6.000 4.460 3.790 5.203 . 0 0 "[ . 1 . 2]" 1
1057 1 35 MET ME 1 79 PHE QE 5.000 . 6.000 2.880 1.970 3.798 . 0 0 "[ . 1 . 2]" 1
1058 1 35 MET QG 1 79 PHE QD 4.000 . 4.750 4.376 3.487 4.812 0.062 7 0 "[ . 1 . 2]" 1
1059 1 35 MET QG 1 79 PHE QE 4.000 . 4.750 3.126 1.846 4.044 . 0 0 "[ . 1 . 2]" 1
1060 1 35 MET ME 1 80 LEU MD2 4.000 . 4.750 4.714 4.431 4.789 0.039 13 0 "[ . 1 . 2]" 1
1061 1 35 MET H 1 83 TYR QE 5.000 . 6.000 4.042 3.346 4.902 . 0 0 "[ . 1 . 2]" 1
1062 1 35 MET HA 1 83 TYR QE 5.000 . 6.000 5.179 4.484 5.706 . 0 0 "[ . 1 . 2]" 1
1063 1 35 MET ME 1 83 TYR QD 5.000 . 6.000 4.853 4.198 5.276 . 0 0 "[ . 1 . 2]" 1
1064 1 35 MET ME 1 83 TYR QE 5.000 . 6.000 4.454 3.733 5.039 . 0 0 "[ . 1 . 2]" 1
1065 1 35 MET QB 1 83 TYR QE 5.000 . 6.000 2.844 1.861 3.998 . 0 0 "[ . 1 . 2]" 1
1066 1 36 VAL HA 1 80 LEU MD1 4.000 . 4.750 3.673 2.069 4.757 0.007 5 0 "[ . 1 . 2]" 1
1067 1 36 VAL MG2 1 83 TYR QE 5.000 . 6.000 5.225 4.157 6.006 0.006 16 0 "[ . 1 . 2]" 1
1068 1 39 VAL MG1 1 76 ALA HA 5.000 . 6.000 3.863 3.350 4.392 . 0 0 "[ . 1 . 2]" 1
1069 1 39 VAL MG1 1 76 ALA MB 4.000 . 4.750 2.329 1.899 2.793 . 0 0 "[ . 1 . 2]" 1
1070 1 39 VAL MG2 1 76 ALA MB 5.000 . 6.000 3.847 3.442 4.448 . 0 0 "[ . 1 . 2]" 1
1071 1 39 VAL MG1 1 79 PHE HB3 5.000 . 6.000 4.184 3.593 4.776 . 0 0 "[ . 1 . 2]" 1
1072 1 39 VAL MG1 1 79 PHE HB2 5.000 . 6.000 5.240 4.520 5.990 . 0 0 "[ . 1 . 2]" 1
1073 1 39 VAL MG1 1 79 PHE QD 5.000 . 6.000 4.023 3.162 4.839 . 0 0 "[ . 1 . 2]" 1
1074 1 39 VAL MG1 1 79 PHE QE 5.000 . 6.000 4.717 3.786 5.529 . 0 0 "[ . 1 . 2]" 1
1075 1 39 VAL MG2 1 79 PHE HB3 5.000 . 6.000 4.180 3.442 5.009 . 0 0 "[ . 1 . 2]" 1
1076 1 39 VAL MG2 1 79 PHE QD 4.000 . 4.750 3.388 2.409 4.039 . 0 0 "[ . 1 . 2]" 1
1077 1 39 VAL MG2 1 79 PHE QE 4.000 . 4.750 3.294 2.443 4.169 . 0 0 "[ . 1 . 2]" 1
1078 1 39 VAL H 1 80 LEU MD2 4.000 . 4.750 4.612 4.167 4.788 0.038 20 0 "[ . 1 . 2]" 1
1079 1 39 VAL MG1 1 80 LEU H 5.000 . 6.000 4.861 4.326 5.405 . 0 0 "[ . 1 . 2]" 1
1080 1 39 VAL MG1 1 80 LEU MD2 4.000 . 4.750 2.493 1.792 3.067 0.008 13 0 "[ . 1 . 2]" 1
1081 1 42 TRP HZ3 1 79 PHE QD 5.000 . 6.000 4.898 4.009 5.836 . 0 0 "[ . 1 . 2]" 1
1082 1 42 TRP HZ3 1 79 PHE QE 4.000 . 4.750 3.359 2.206 4.605 . 0 0 "[ . 1 . 2]" 1
1083 1 43 MET ME 1 72 LEU MD1 5.000 . 6.000 4.290 1.922 5.579 . 0 0 "[ . 1 . 2]" 1
1084 1 43 MET ME 1 72 LEU MD2 5.000 . 6.000 4.085 3.193 5.025 . 0 0 "[ . 1 . 2]" 1
1085 1 43 MET QG 1 72 LEU MD1 5.000 . 6.000 3.530 1.810 5.010 . 0 0 "[ . 1 . 2]" 1
1086 1 43 MET ME 1 73 ASN HA 4.000 . 4.750 4.117 3.239 4.759 0.009 2 0 "[ . 1 . 2]" 1
1087 1 43 MET ME 1 73 ASN QB 5.000 . 6.000 5.472 4.529 6.022 0.022 2 0 "[ . 1 . 2]" 1
1088 1 43 MET ME 1 76 ALA MB 4.000 . 4.750 2.727 2.208 3.155 . 0 0 "[ . 1 . 2]" 1
1089 1 46 TYR QB 1 72 LEU MD1 5.000 . 6.000 2.977 2.395 5.054 . 0 0 "[ . 1 . 2]" 1
1090 1 46 TYR QD 1 72 LEU MD1 5.000 . 6.000 3.923 2.939 5.474 . 0 0 "[ . 1 . 2]" 1
1091 1 46 TYR QD 1 72 LEU MD2 5.000 . 6.000 2.987 2.203 4.291 . 0 0 "[ . 1 . 2]" 1
1092 1 47 ILE H 1 72 LEU MD1 5.000 . 6.000 3.996 3.449 5.638 . 0 0 "[ . 1 . 2]" 1
1093 1 47 ILE MG 1 72 LEU MD1 5.000 . 6.000 4.459 3.968 5.202 . 0 0 "[ . 1 . 2]" 1
1094 1 47 ILE MD 1 72 LEU MD1 5.000 . 6.000 4.159 3.200 5.194 . 0 0 "[ . 1 . 2]" 1
1095 1 47 ILE QG 1 72 LEU MD1 5.000 . 6.000 4.873 4.055 6.051 0.051 18 0 "[ . 1 . 2]" 1
1096 1 50 TYR QB 1 65 LEU MD2 4.000 . 4.750 4.509 2.883 4.794 0.044 5 0 "[ . 1 . 2]" 1
1097 1 50 TYR QE 1 65 LEU MD1 5.000 . 6.000 5.983 5.691 6.071 0.071 15 0 "[ . 1 . 2]" 1
1098 1 50 TYR H 1 68 LEU QD 4.000 . 4.750 4.566 4.006 4.806 0.056 2 0 "[ . 1 . 2]" 1
1099 1 50 TYR QB 1 68 LEU QD 4.000 . 4.750 2.771 2.198 3.497 . 0 0 "[ . 1 . 2]" 1
1100 1 50 TYR QD 1 68 LEU QB 5.000 . 6.000 3.633 3.088 4.439 . 0 0 "[ . 1 . 2]" 1
1101 1 50 TYR QE 1 68 LEU QB 4.000 . 4.750 4.598 4.047 4.783 0.033 5 0 "[ . 1 . 2]" 1
1102 1 50 TYR QE 1 68 LEU QD 4.000 . 4.750 2.285 1.839 2.686 . 0 0 "[ . 1 . 2]" 1
1103 1 54 VAL MG1 1 61 ARG H 4.000 . 4.750 3.215 2.520 4.086 . 0 0 "[ . 1 . 2]" 1
1104 1 54 VAL MG1 1 61 ARG HA 4.000 . 4.750 2.095 1.811 2.832 . 0 0 "[ . 1 . 2]" 1
1105 1 54 VAL MG1 1 61 ARG HE 5.000 . 6.000 3.342 1.936 4.646 . 0 0 "[ . 1 . 2]" 1
1106 1 54 VAL MG1 1 61 ARG QD 4.000 . 4.750 3.399 1.776 4.356 0.024 5 0 "[ . 1 . 2]" 1
1107 1 54 VAL MG2 1 61 ARG H 4.000 . 4.750 4.610 4.010 4.839 0.089 4 0 "[ . 1 . 2]" 1
1108 1 54 VAL MG2 1 61 ARG HA 4.000 . 4.750 2.671 1.970 3.245 . 0 0 "[ . 1 . 2]" 1
1109 1 54 VAL MG2 1 61 ARG HE 4.000 . 4.750 4.368 3.373 4.817 0.067 5 0 "[ . 1 . 2]" 1
1110 1 54 VAL MG2 1 61 ARG QD 4.000 . 4.750 3.342 2.241 4.655 . 0 0 "[ . 1 . 2]" 1
1111 1 54 VAL MG1 1 64 ALA MB 4.000 . 4.750 3.143 2.034 4.323 . 0 0 "[ . 1 . 2]" 1
1112 1 54 VAL MG2 1 64 ALA MB 4.000 . 4.750 3.412 2.142 4.223 . 0 0 "[ . 1 . 2]" 1
1113 1 55 THR HA 1 61 ARG QD 5.000 . 6.000 4.837 3.642 5.580 . 0 0 "[ . 1 . 2]" 1
1114 1 56 GLY H 1 61 ARG HE 4.000 . 4.750 4.364 3.646 4.847 0.097 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 108
_Distance_constraint_stats_list.Viol_count 771
_Distance_constraint_stats_list.Viol_total 400.405
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0260
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.404 0.081 2 0 "[ . 1 . 2]"
1 4 ALA 0.719 0.074 6 0 "[ . 1 . 2]"
1 5 ASN 0.405 0.061 6 0 "[ . 1 . 2]"
1 6 LYS 0.014 0.010 6 0 "[ . 1 . 2]"
1 7 ASP 0.702 0.081 2 0 "[ . 1 . 2]"
1 8 LEU 2.271 0.148 2 0 "[ . 1 . 2]"
1 9 ILE 0.541 0.061 6 0 "[ . 1 . 2]"
1 10 SER 1.635 0.103 11 0 "[ . 1 . 2]"
1 11 ALA 0.634 0.057 9 0 "[ . 1 . 2]"
1 12 GLY 1.824 0.148 2 0 "[ . 1 . 2]"
1 13 LEU 0.605 0.060 14 0 "[ . 1 . 2]"
1 14 LYS 1.835 0.103 11 0 "[ . 1 . 2]"
1 15 GLU 0.693 0.057 9 0 "[ . 1 . 2]"
1 16 PHE 0.376 0.039 17 0 "[ . 1 . 2]"
1 17 SER 0.659 0.060 14 0 "[ . 1 . 2]"
1 18 VAL 0.213 0.047 14 0 "[ . 1 . 2]"
1 19 LEU 0.357 0.052 20 0 "[ . 1 . 2]"
1 20 LEU 0.104 0.018 13 0 "[ . 1 . 2]"
1 21 ASN 0.190 0.032 17 0 "[ . 1 . 2]"
1 32 GLU 0.614 0.043 13 0 "[ . 1 . 2]"
1 33 GLU 0.273 0.047 15 0 "[ . 1 . 2]"
1 34 ASP 0.157 0.037 14 0 "[ . 1 . 2]"
1 35 MET 0.281 0.050 11 0 "[ . 1 . 2]"
1 36 VAL 0.740 0.043 13 0 "[ . 1 . 2]"
1 37 THR 0.471 0.047 15 0 "[ . 1 . 2]"
1 38 VAL 0.393 0.037 14 0 "[ . 1 . 2]"
1 39 VAL 0.387 0.050 11 0 "[ . 1 . 2]"
1 40 GLU 0.248 0.043 10 0 "[ . 1 . 2]"
1 41 ASP 0.244 0.044 10 0 "[ . 1 . 2]"
1 42 TRP 0.987 0.084 5 0 "[ . 1 . 2]"
1 43 MET 0.126 0.039 5 0 "[ . 1 . 2]"
1 44 ASN 0.976 0.061 11 0 "[ . 1 . 2]"
1 45 PHE 0.758 0.058 2 0 "[ . 1 . 2]"
1 46 TYR 1.642 0.084 5 0 "[ . 1 . 2]"
1 47 ILE 0.783 0.094 18 0 "[ . 1 . 2]"
1 48 ASN 0.854 0.061 11 0 "[ . 1 . 2]"
1 49 TYR 0.712 0.058 2 0 "[ . 1 . 2]"
1 50 TYR 0.891 0.062 2 0 "[ . 1 . 2]"
1 51 ARG 0.764 0.094 18 0 "[ . 1 . 2]"
1 58 PRO 0.110 0.037 5 0 "[ . 1 . 2]"
1 59 GLN 0.154 0.061 4 0 "[ . 1 . 2]"
1 60 GLU 0.489 0.086 5 0 "[ . 1 . 2]"
1 61 ARG 0.910 0.084 5 0 "[ . 1 . 2]"
1 62 ASP 0.790 0.101 19 0 "[ . 1 . 2]"
1 63 LYS 0.324 0.061 4 0 "[ . 1 . 2]"
1 64 ALA 0.619 0.086 5 0 "[ . 1 . 2]"
1 65 LEU 1.242 0.084 5 0 "[ . 1 . 2]"
1 66 GLN 0.737 0.101 19 0 "[ . 1 . 2]"
1 67 GLU 0.208 0.043 4 0 "[ . 1 . 2]"
1 68 LEU 0.147 0.025 16 0 "[ . 1 . 2]"
1 69 ARG 0.397 0.035 17 0 "[ . 1 . 2]"
1 70 GLN 0.286 0.055 4 0 "[ . 1 . 2]"
1 71 GLU 0.444 0.029 4 0 "[ . 1 . 2]"
1 72 LEU 0.663 0.067 9 0 "[ . 1 . 2]"
1 73 ASN 0.066 0.019 6 0 "[ . 1 . 2]"
1 74 THR 0.229 0.055 4 0 "[ . 1 . 2]"
1 75 LEU 0.406 0.029 4 0 "[ . 1 . 2]"
1 76 ALA 0.646 0.067 9 0 "[ . 1 . 2]"
1 78 PRO 0.732 0.075 4 0 "[ . 1 . 2]"
1 79 PHE 0.147 0.027 8 0 "[ . 1 . 2]"
1 80 LEU 0.231 0.047 10 0 "[ . 1 . 2]"
1 81 ALA 0.153 0.038 10 0 "[ . 1 . 2]"
1 82 LYS 1.248 0.079 19 0 "[ . 1 . 2]"
1 83 TYR 0.261 0.035 20 0 "[ . 1 . 2]"
1 84 ARG 0.340 0.047 10 0 "[ . 1 . 2]"
1 85 ASP 0.496 0.074 18 0 "[ . 1 . 2]"
1 86 PHE 0.516 0.079 19 0 "[ . 1 . 2]"
1 87 LEU 0.114 0.035 20 0 "[ . 1 . 2]"
1 88 LYS 0.109 0.044 15 0 "[ . 1 . 2]"
1 89 SER 0.343 0.074 18 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 LYS O 1 7 ASP H 1.950 . 2.100 1.898 1.797 2.108 0.008 13 0 "[ . 1 . 2]" 2
2 1 3 LYS O 1 7 ASP N 2.900 2.700 3.100 2.719 2.619 2.919 0.081 2 0 "[ . 1 . 2]" 2
3 1 4 ALA O 1 8 LEU H 1.950 . 2.100 2.136 2.103 2.174 0.074 6 0 "[ . 1 . 2]" 2
4 1 4 ALA O 1 8 LEU N 2.900 2.700 3.100 3.047 2.978 3.107 0.007 7 0 "[ . 1 . 2]" 2
5 1 5 ASN O 1 9 ILE H 1.950 . 2.100 2.107 1.992 2.161 0.061 6 0 "[ . 1 . 2]" 2
6 1 5 ASN O 1 9 ILE N 2.900 2.700 3.100 3.067 2.969 3.103 0.003 3 0 "[ . 1 . 2]" 2
7 1 6 LYS O 1 10 SER H 1.950 . 2.100 1.925 1.790 2.104 0.010 6 0 "[ . 1 . 2]" 2
8 1 6 LYS O 1 10 SER N 2.900 2.700 3.100 2.885 2.761 3.050 . 0 0 "[ . 1 . 2]" 2
9 1 7 ASP O 1 11 ALA H 1.950 . 2.100 1.982 1.812 2.138 0.038 13 0 "[ . 1 . 2]" 2
10 1 7 ASP O 1 11 ALA N 2.900 2.700 3.100 2.812 2.644 2.999 0.056 4 0 "[ . 1 . 2]" 2
11 1 8 LEU O 1 12 GLY H 1.950 . 2.100 2.175 2.100 2.248 0.148 2 0 "[ . 1 . 2]" 2
12 1 8 LEU O 1 12 GLY N 2.900 2.700 3.100 3.064 3.006 3.119 0.019 6 0 "[ . 1 . 2]" 2
13 1 9 ILE O 1 13 LEU H 1.950 . 2.100 1.898 1.764 2.120 0.036 17 0 "[ . 1 . 2]" 2
14 1 9 ILE O 1 13 LEU N 2.900 2.700 3.100 2.812 2.697 3.074 0.003 8 0 "[ . 1 . 2]" 2
15 1 10 SER O 1 14 LYS H 1.950 . 2.100 1.730 1.697 1.780 0.103 11 0 "[ . 1 . 2]" 2
16 1 10 SER O 1 14 LYS N 2.900 2.700 3.100 2.698 2.655 2.758 0.045 11 0 "[ . 1 . 2]" 2
17 1 11 ALA O 1 15 GLU H 1.950 . 2.100 2.078 1.889 2.157 0.057 9 0 "[ . 1 . 2]" 2
18 1 11 ALA O 1 15 GLU N 2.900 2.700 3.100 2.897 2.817 3.002 . 0 0 "[ . 1 . 2]" 2
19 1 12 GLY O 1 16 PHE H 1.950 . 2.100 1.909 1.761 2.136 0.039 17 0 "[ . 1 . 2]" 2
20 1 12 GLY O 1 16 PHE N 2.900 2.700 3.100 2.828 2.690 3.056 0.010 10 0 "[ . 1 . 2]" 2
21 1 13 LEU O 1 17 SER H 1.950 . 2.100 1.798 1.746 1.944 0.054 14 0 "[ . 1 . 2]" 2
22 1 13 LEU O 1 17 SER N 2.900 2.700 3.100 2.740 2.640 2.899 0.060 14 0 "[ . 1 . 2]" 2
23 1 14 LYS O 1 18 VAL H 1.950 . 2.100 1.982 1.769 2.147 0.047 14 0 "[ . 1 . 2]" 2
24 1 14 LYS O 1 18 VAL N 2.900 2.700 3.100 2.931 2.715 3.104 0.004 14 0 "[ . 1 . 2]" 2
25 1 15 GLU O 1 19 LEU H 1.950 . 2.100 2.077 1.854 2.152 0.052 20 0 "[ . 1 . 2]" 2
26 1 15 GLU O 1 19 LEU N 2.900 2.700 3.100 2.955 2.692 3.069 0.008 13 0 "[ . 1 . 2]" 2
27 1 16 PHE O 1 20 LEU H 1.950 . 2.100 1.868 1.785 2.108 0.015 2 0 "[ . 1 . 2]" 2
28 1 16 PHE O 1 20 LEU N 2.900 2.700 3.100 2.759 2.682 2.882 0.018 13 0 "[ . 1 . 2]" 2
29 1 17 SER O 1 21 ASN H 1.950 . 2.100 1.985 1.784 2.132 0.032 17 0 "[ . 1 . 2]" 2
30 1 17 SER O 1 21 ASN N 2.900 2.700 3.100 2.887 2.668 3.100 0.032 11 0 "[ . 1 . 2]" 2
31 1 32 GLU O 1 36 VAL H 1.950 . 2.100 1.782 1.757 1.804 0.043 13 0 "[ . 1 . 2]" 2
32 1 32 GLU O 1 36 VAL N 2.900 2.700 3.100 2.689 2.667 2.722 0.033 9 0 "[ . 1 . 2]" 2
33 1 33 GLU O 1 37 THR H 1.950 . 2.100 2.104 2.022 2.147 0.047 15 0 "[ . 1 . 2]" 2
34 1 33 GLU O 1 37 THR N 2.900 2.700 3.100 2.991 2.859 3.074 . 0 0 "[ . 1 . 2]" 2
35 1 34 ASP O 1 38 VAL H 1.950 . 2.100 2.020 1.802 2.137 0.037 14 0 "[ . 1 . 2]" 2
36 1 34 ASP O 1 38 VAL N 2.900 2.700 3.100 2.893 2.701 3.050 . 0 0 "[ . 1 . 2]" 2
37 1 35 MET O 1 39 VAL H 1.950 . 2.100 1.827 1.750 1.914 0.050 11 0 "[ . 1 . 2]" 2
38 1 35 MET O 1 39 VAL N 2.900 2.700 3.100 2.725 2.659 2.832 0.041 4 0 "[ . 1 . 2]" 2
39 1 36 VAL O 1 40 GLU H 1.950 . 2.100 1.891 1.757 2.058 0.043 10 0 "[ . 1 . 2]" 2
40 1 36 VAL O 1 40 GLU N 2.900 2.700 3.100 2.843 2.721 2.985 . 0 0 "[ . 1 . 2]" 2
41 1 37 THR O 1 41 ASP H 1.950 . 2.100 2.085 1.979 2.144 0.044 10 0 "[ . 1 . 2]" 2
42 1 37 THR O 1 41 ASP N 2.900 2.700 3.100 3.032 2.950 3.099 . 0 0 "[ . 1 . 2]" 2
43 1 38 VAL O 1 42 TRP H 1.950 . 2.100 2.106 2.020 2.134 0.034 8 0 "[ . 1 . 2]" 2
44 1 38 VAL O 1 42 TRP N 2.900 2.700 3.100 3.009 2.905 3.065 . 0 0 "[ . 1 . 2]" 2
45 1 39 VAL O 1 43 MET H 1.950 . 2.100 2.050 1.947 2.139 0.039 5 0 "[ . 1 . 2]" 2
46 1 39 VAL O 1 43 MET N 2.900 2.700 3.100 3.015 2.912 3.088 . 0 0 "[ . 1 . 2]" 2
47 1 40 GLU O 1 44 ASN H 1.950 . 2.100 1.969 1.789 2.128 0.028 10 0 "[ . 1 . 2]" 2
48 1 40 GLU O 1 44 ASN N 2.900 2.700 3.100 2.879 2.683 3.036 0.017 8 0 "[ . 1 . 2]" 2
49 1 41 ASP O 1 45 PHE H 1.950 . 2.100 1.992 1.789 2.121 0.021 9 0 "[ . 1 . 2]" 2
50 1 41 ASP O 1 45 PHE N 2.900 2.700 3.100 2.854 2.698 2.991 0.002 16 0 "[ . 1 . 2]" 2
51 1 42 TRP O 1 46 TYR H 1.950 . 2.100 2.130 1.996 2.184 0.084 5 0 "[ . 1 . 2]" 2
52 1 42 TRP O 1 46 TYR N 2.900 2.700 3.100 3.055 2.916 3.116 0.016 10 0 "[ . 1 . 2]" 2
53 1 43 MET O 1 47 ILE H 1.950 . 2.100 1.954 1.798 2.117 0.017 6 0 "[ . 1 . 2]" 2
54 1 43 MET O 1 47 ILE N 2.900 2.700 3.100 2.902 2.751 3.044 . 0 0 "[ . 1 . 2]" 2
55 1 44 ASN O 1 48 ASN H 1.950 . 2.100 2.135 2.070 2.161 0.061 11 0 "[ . 1 . 2]" 2
56 1 44 ASN O 1 48 ASN N 2.900 2.700 3.100 3.097 3.018 3.123 0.023 11 0 "[ . 1 . 2]" 2
57 1 45 PHE O 1 49 TYR H 1.950 . 2.100 1.837 1.783 2.121 0.021 14 0 "[ . 1 . 2]" 2
58 1 45 PHE O 1 49 TYR N 2.900 2.700 3.100 2.682 2.642 2.892 0.058 2 0 "[ . 1 . 2]" 2
59 1 46 TYR O 1 50 TYR H 1.950 . 2.100 1.783 1.738 2.054 0.062 2 0 "[ . 1 . 2]" 2
60 1 46 TYR O 1 50 TYR N 2.900 2.700 3.100 2.713 2.645 3.009 0.055 12 0 "[ . 1 . 2]" 2
61 1 47 ILE O 1 51 ARG H 1.950 . 2.100 2.135 2.054 2.194 0.094 18 0 "[ . 1 . 2]" 2
62 1 47 ILE O 1 51 ARG N 2.900 2.700 3.100 2.984 2.837 3.109 0.009 18 0 "[ . 1 . 2]" 2
63 1 58 PRO O 1 62 ASP H 1.950 . 2.100 1.978 1.763 2.111 0.037 5 0 "[ . 1 . 2]" 2
64 1 58 PRO O 1 62 ASP N 2.900 2.700 3.100 2.936 2.665 3.091 0.035 5 0 "[ . 1 . 2]" 2
65 1 59 GLN O 1 63 LYS H 1.950 . 2.100 2.079 1.897 2.161 0.061 4 0 "[ . 1 . 2]" 2
66 1 59 GLN O 1 63 LYS N 2.900 2.700 3.100 2.976 2.699 3.073 0.001 6 0 "[ . 1 . 2]" 2
67 1 60 GLU O 1 64 ALA H 1.950 . 2.100 2.097 1.844 2.186 0.086 5 0 "[ . 1 . 2]" 2
68 1 60 GLU O 1 64 ALA N 2.900 2.700 3.100 3.026 2.814 3.138 0.038 5 0 "[ . 1 . 2]" 2
69 1 61 ARG O 1 65 LEU H 1.950 . 2.100 1.786 1.720 1.990 0.080 19 0 "[ . 1 . 2]" 2
70 1 61 ARG O 1 65 LEU N 2.900 2.700 3.100 2.716 2.616 2.873 0.084 5 0 "[ . 1 . 2]" 2
71 1 62 ASP O 1 66 GLN H 1.950 . 2.100 2.106 1.816 2.201 0.101 19 0 "[ . 1 . 2]" 2
72 1 62 ASP O 1 66 GLN N 2.900 2.700 3.100 3.005 2.692 3.112 0.012 5 0 "[ . 1 . 2]" 2
73 1 63 LYS O 1 67 GLU H 1.950 . 2.100 1.989 1.768 2.143 0.043 4 0 "[ . 1 . 2]" 2
74 1 63 LYS O 1 67 GLU N 2.900 2.700 3.100 2.917 2.718 3.073 . 0 0 "[ . 1 . 2]" 2
75 1 64 ALA O 1 68 LEU H 1.950 . 2.100 1.961 1.783 2.125 0.025 16 0 "[ . 1 . 2]" 2
76 1 64 ALA O 1 68 LEU N 2.900 2.700 3.100 2.845 2.691 2.997 0.009 5 0 "[ . 1 . 2]" 2
77 1 65 LEU O 1 69 ARG H 1.950 . 2.100 2.105 2.046 2.135 0.035 17 0 "[ . 1 . 2]" 2
78 1 65 LEU O 1 69 ARG N 2.900 2.700 3.100 3.056 2.981 3.108 0.008 8 0 "[ . 1 . 2]" 2
79 1 66 GLN O 1 70 GLN H 1.950 . 2.100 1.996 1.784 2.128 0.028 15 0 "[ . 1 . 2]" 2
80 1 66 GLN O 1 70 GLN N 2.900 2.700 3.100 2.918 2.743 3.034 . 0 0 "[ . 1 . 2]" 2
81 1 67 GLU O 1 71 GLU H 1.950 . 2.100 1.989 1.804 2.115 0.015 8 0 "[ . 1 . 2]" 2
82 1 67 GLU O 1 71 GLU N 2.900 2.700 3.100 2.892 2.766 3.028 . 0 0 "[ . 1 . 2]" 2
83 1 68 LEU O 1 72 LEU H 1.950 . 2.100 1.908 1.783 2.063 0.017 14 0 "[ . 1 . 2]" 2
84 1 68 LEU O 1 72 LEU N 2.900 2.700 3.100 2.861 2.738 2.994 . 0 0 "[ . 1 . 2]" 2
85 1 69 ARG O 1 73 ASN H 1.950 . 2.100 1.916 1.781 2.099 0.019 6 0 "[ . 1 . 2]" 2
86 1 69 ARG O 1 73 ASN N 2.900 2.700 3.100 2.847 2.706 3.025 . 0 0 "[ . 1 . 2]" 2
87 1 70 GLN O 1 74 THR H 1.950 . 2.100 2.057 1.862 2.155 0.055 4 0 "[ . 1 . 2]" 2
88 1 70 GLN O 1 74 THR N 2.900 2.700 3.100 2.981 2.817 3.075 . 0 0 "[ . 1 . 2]" 2
89 1 71 GLU O 1 75 LEU H 1.950 . 2.100 1.797 1.771 1.865 0.029 4 0 "[ . 1 . 2]" 2
90 1 71 GLU O 1 75 LEU N 2.900 2.700 3.100 2.698 2.677 2.757 0.023 6 0 "[ . 1 . 2]" 2
91 1 72 LEU O 1 76 ALA H 1.950 . 2.100 1.774 1.733 1.835 0.067 9 0 "[ . 1 . 2]" 2
92 1 72 LEU O 1 76 ALA N 2.900 2.700 3.100 2.726 2.670 2.785 0.030 9 0 "[ . 1 . 2]" 2
93 1 78 PRO O 1 82 LYS H 1.950 . 2.100 2.134 2.044 2.175 0.075 4 0 "[ . 1 . 2]" 2
94 1 78 PRO O 1 82 LYS N 2.900 2.700 3.100 3.030 2.937 3.073 . 0 0 "[ . 1 . 2]" 2
95 1 79 PHE O 1 83 TYR H 1.950 . 2.100 1.935 1.776 2.127 0.027 8 0 "[ . 1 . 2]" 2
96 1 79 PHE O 1 83 TYR N 2.900 2.700 3.100 2.829 2.692 3.046 0.008 15 0 "[ . 1 . 2]" 2
97 1 80 LEU O 1 84 ARG H 1.950 . 2.100 1.841 1.753 2.069 0.047 10 0 "[ . 1 . 2]" 2
98 1 80 LEU O 1 84 ARG N 2.900 2.700 3.100 2.812 2.703 3.021 . 0 0 "[ . 1 . 2]" 2
99 1 81 ALA O 1 85 ASP H 1.950 . 2.100 2.039 1.820 2.138 0.038 10 0 "[ . 1 . 2]" 2
100 1 81 ALA O 1 85 ASP N 2.900 2.700 3.100 2.956 2.783 3.053 . 0 0 "[ . 1 . 2]" 2
101 1 82 LYS O 1 86 PHE H 1.950 . 2.100 2.084 1.888 2.179 0.079 19 0 "[ . 1 . 2]" 2
102 1 82 LYS O 1 86 PHE N 2.900 2.700 3.100 2.929 2.744 3.028 . 0 0 "[ . 1 . 2]" 2
103 1 83 TYR O 1 87 LEU H 1.950 . 2.100 1.927 1.772 2.135 0.035 20 0 "[ . 1 . 2]" 2
104 1 83 TYR O 1 87 LEU N 2.900 2.700 3.100 2.835 2.699 3.007 0.001 11 0 "[ . 1 . 2]" 2
105 1 84 ARG O 1 88 LYS H 1.950 . 2.100 1.942 1.777 2.144 0.044 15 0 "[ . 1 . 2]" 2
106 1 84 ARG O 1 88 LYS N 2.900 2.700 3.100 2.882 2.715 3.112 0.012 15 0 "[ . 1 . 2]" 2
107 1 85 ASP O 1 89 SER H 1.950 . 2.100 1.985 1.777 2.174 0.074 18 0 "[ . 1 . 2]" 2
108 1 85 ASP O 1 89 SER N 2.900 2.700 3.100 2.786 2.681 2.995 0.019 17 0 "[ . 1 . 2]" 2
stop_
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