NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
389847 |
1nxi   |
5589 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nxi
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 1035
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 60.839
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0155
_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 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.007 0.007 19 0 "[ . 1 . 2]"
1 8 LEU 0.031 0.024 17 0 "[ . 1 . 2]"
1 9 SER 0.106 0.025 11 0 "[ . 1 . 2]"
1 10 VAL 0.011 0.008 19 0 "[ . 1 . 2]"
1 11 GLU 0.033 0.025 11 0 "[ . 1 . 2]"
1 12 GLU 0.054 0.014 2 0 "[ . 1 . 2]"
1 13 LEU 0.022 0.010 3 0 "[ . 1 . 2]"
1 14 ILE 0.005 0.003 8 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.010 0.010 3 0 "[ . 1 . 2]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.006 0.006 2 0 "[ . 1 . 2]"
1 19 GLU 0.073 0.023 11 0 "[ . 1 . 2]"
1 20 GLU 0.042 0.030 5 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.093 0.023 11 0 "[ . 1 . 2]"
1 23 ASP 0.055 0.030 5 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.127 0.023 14 0 "[ . 1 . 2]"
1 26 GLN 0.014 0.013 19 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.010 0.010 8 0 "[ . 1 . 2]"
1 29 LEU 0.090 0.030 3 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 0.046 0.014 9 0 "[ . 1 . 2]"
1 32 GLY 0.183 0.032 16 0 "[ . 1 . 2]"
1 33 SER 0.152 0.032 16 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.008 0.004 8 0 "[ . 1 . 2]"
1 37 ALA 0.008 0.004 8 0 "[ . 1 . 2]"
1 38 LEU 0.022 0.022 15 0 "[ . 1 . 2]"
1 39 TYR 0.009 0.009 11 0 "[ . 1 . 2]"
1 40 GLU 0.123 0.039 4 0 "[ . 1 . 2]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.028 0.012 16 0 "[ . 1 . 2]"
1 45 LEU 0.085 0.019 13 0 "[ . 1 . 2]"
1 46 PHE 0.039 0.014 3 0 "[ . 1 . 2]"
1 47 ALA 0.002 0.002 1 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.007 0.007 1 0 "[ . 1 . 2]"
1 53 LEU 0.006 0.005 16 0 "[ . 1 . 2]"
1 54 GLU 0.007 0.007 1 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.009 0.005 16 0 "[ . 1 . 2]"
1 57 ALA 0.095 0.019 18 0 "[ . 1 . 2]"
1 58 VAL 0.003 0.003 17 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.018 0.011 13 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.001 0.001 3 0 "[ . 1 . 2]"
1 63 MET 0.018 0.011 13 0 "[ . 1 . 2]"
1 64 GLY 0.001 0.001 3 0 "[ . 1 . 2]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.013 0.007 18 0 "[ . 1 . 2]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.556 0.058 17 0 "[ . 1 . 2]"
1 70 ALA 0.336 0.106 9 0 "[ . 1 . 2]"
1 71 GLU 0.042 0.014 20 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.050 0.024 4 0 "[ . 1 . 2]"
1 74 GLU 0.086 0.024 4 0 "[ . 1 . 2]"
1 75 ASP 0.240 0.138 13 0 "[ . 1 . 2]"
1 76 GLU 0.291 0.138 13 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.096 0.044 3 0 "[ . 1 . 2]"
1 79 ASN 0.223 0.114 5 0 "[ . 1 . 2]"
1 80 LYS 0.212 0.114 5 0 "[ . 1 . 2]"
1 81 LEU 0.027 0.015 14 0 "[ . 1 . 2]"
1 82 LEU 0.023 0.013 11 0 "[ . 1 . 2]"
1 83 CYS 0.335 0.106 9 0 "[ . 1 . 2]"
1 84 PHE 0.205 0.020 3 0 "[ . 1 . 2]"
1 85 ASP 0.556 0.058 17 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.013 0.007 18 0 "[ . 1 . 2]"
1 88 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLN 0.123 0.039 4 0 "[ . 1 . 2]"
1 90 SER 0.028 0.024 15 0 "[ . 1 . 2]"
1 91 ALA 0.047 0.024 15 0 "[ . 1 . 2]"
1 92 LEU 0.037 0.022 15 0 "[ . 1 . 2]"
1 93 ASP 0.004 0.003 6 0 "[ . 1 . 2]"
1 94 ALA 0.040 0.023 14 0 "[ . 1 . 2]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.052 0.018 7 0 "[ . 1 . 2]"
1 97 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASP 0.052 0.018 7 0 "[ . 1 . 2]"
1 99 GLU 0.001 0.001 11 0 "[ . 1 . 2]"
1 100 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLU 0.054 0.018 6 0 "[ . 1 . 2]"
1 103 LYS 0.023 0.009 16 0 "[ . 1 . 2]"
1 104 LEU 0.017 0.009 16 0 "[ . 1 . 2]"
1 105 VAL 0.053 0.018 6 0 "[ . 1 . 2]"
1 106 ASN 0.006 0.006 15 0 "[ . 1 . 2]"
1 107 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ALA 0.012 0.012 9 0 "[ . 1 . 2]"
1 109 GLU 0.051 0.025 8 0 "[ . 1 . 2]"
1 110 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PHE 0.051 0.025 8 0 "[ . 1 . 2]"
1 112 ASP 0.096 0.025 3 0 "[ . 1 . 2]"
1 113 ILE 0.108 0.025 3 0 "[ . 1 . 2]"
1 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 TYR 0.022 0.011 10 0 "[ . 1 . 2]"
1 116 ASP 0.064 0.014 3 0 "[ . 1 . 2]"
1 117 GLY 0.047 0.011 10 0 "[ . 1 . 2]"
1 118 TRP 0.048 0.014 17 0 "[ . 1 . 2]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 TYR 0.005 0.005 10 0 "[ . 1 . 2]"
1 123 GLU 0.023 0.018 13 0 "[ . 1 . 2]"
1 124 GLY 0.018 0.018 13 0 "[ . 1 . 2]"
1 125 LEU 0.019 0.019 12 0 "[ . 1 . 2]"
1 126 GLU 0.019 0.019 12 0 "[ . 1 . 2]"
1 127 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 LEU H 1 9 SER H 1.800 . 5.000 3.985 2.007 4.676 . 0 0 "[ . 1 . 2]" 1
2 1 10 VAL H 1 11 GLU H 1.800 . 3.500 2.806 2.378 3.014 . 0 0 "[ . 1 . 2]" 1
3 1 11 GLU H 1 12 GLU H 1.800 . 3.500 2.658 2.367 3.025 . 0 0 "[ . 1 . 2]" 1
4 1 12 GLU H 1 13 LEU H 1.800 . 3.500 2.788 2.591 3.097 . 0 0 "[ . 1 . 2]" 1
5 1 13 LEU H 1 14 ILE H 1.800 . 3.500 2.836 2.609 3.047 . 0 0 "[ . 1 . 2]" 1
6 1 14 ILE H 1 15 GLU H 1.800 . 3.500 2.827 2.635 3.109 . 0 0 "[ . 1 . 2]" 1
7 1 15 GLU H 1 16 ILE H 1.800 . 3.500 2.974 2.822 3.195 . 0 0 "[ . 1 . 2]" 1
8 1 16 ILE H 1 17 GLN H 1.800 . 3.500 2.967 2.626 3.330 . 0 0 "[ . 1 . 2]" 1
9 1 18 LYS H 1 19 GLU H 1.800 . 3.500 2.850 2.506 3.173 . 0 0 "[ . 1 . 2]" 1
10 1 19 GLU H 1 20 GLU H 1.800 . 3.500 2.855 2.574 3.106 . 0 0 "[ . 1 . 2]" 1
11 1 20 GLU H 1 21 THR H 1.800 . 3.500 3.033 2.707 3.371 . 0 0 "[ . 1 . 2]" 1
12 1 21 THR H 1 22 ARG H 1.800 . 3.500 3.036 2.752 3.279 . 0 0 "[ . 1 . 2]" 1
13 1 22 ARG H 1 23 ASP H 1.800 . 3.500 2.945 2.698 3.085 . 0 0 "[ . 1 . 2]" 1
14 1 23 ASP H 1 24 ILE H 1.800 . 3.500 2.774 2.568 2.956 . 0 0 "[ . 1 . 2]" 1
15 1 24 ILE H 1 25 ILE H 1.800 . 3.500 2.909 2.834 3.063 . 0 0 "[ . 1 . 2]" 1
16 1 25 ILE H 1 26 GLN H 1.800 . 3.500 2.944 2.752 3.100 . 0 0 "[ . 1 . 2]" 1
17 1 26 GLN H 1 27 ALA H 1.800 . 3.500 2.802 2.617 3.124 . 0 0 "[ . 1 . 2]" 1
18 1 27 ALA H 1 28 LEU H 1.800 . 3.500 2.876 2.563 3.200 . 0 0 "[ . 1 . 2]" 1
19 1 28 LEU H 1 29 LEU H 1.800 . 3.500 2.919 2.638 3.223 . 0 0 "[ . 1 . 2]" 1
20 1 29 LEU H 1 30 GLU H 1.800 . 3.500 2.893 2.630 3.138 . 0 0 "[ . 1 . 2]" 1
21 1 30 GLU H 1 31 ASP H 1.800 . 3.500 2.742 2.403 3.037 . 0 0 "[ . 1 . 2]" 1
22 1 31 ASP H 1 32 GLY H 1.800 . 3.500 2.630 2.258 2.927 . 0 0 "[ . 1 . 2]" 1
23 1 32 GLY H 1 33 SER H 1.800 . 3.500 1.980 1.768 2.449 0.032 16 0 "[ . 1 . 2]" 1
24 1 36 ASP H 1 37 ALA H 1.800 . 2.800 2.532 2.273 2.804 0.004 8 0 "[ . 1 . 2]" 1
25 1 37 ALA H 1 38 LEU H 1.800 . 3.500 2.642 1.951 3.483 . 0 0 "[ . 1 . 2]" 1
26 1 38 LEU H 1 39 TYR H 1.800 . 5.000 4.357 4.035 4.590 . 0 0 "[ . 1 . 2]" 1
27 1 39 TYR H 1 40 GLU H 1.800 . 5.000 4.446 4.325 4.521 . 0 0 "[ . 1 . 2]" 1
28 1 43 HIS H 1 44 HIS H 1.800 . 5.000 4.495 4.309 4.604 . 0 0 "[ . 1 . 2]" 1
29 1 44 HIS H 1 45 LEU H 1.800 . 5.000 4.349 3.999 4.522 . 0 0 "[ . 1 . 2]" 1
30 1 45 LEU H 1 46 PHE H 1.800 . 5.000 4.406 4.227 4.536 . 0 0 "[ . 1 . 2]" 1
31 1 46 PHE H 1 47 ALA H 1.800 . 5.000 4.497 4.446 4.566 . 0 0 "[ . 1 . 2]" 1
32 1 48 GLU H 1 49 ASP H 1.800 . 5.000 2.025 1.864 2.243 . 0 0 "[ . 1 . 2]" 1
33 1 50 PHE H 1 51 ASP H 1.800 . 3.500 2.827 2.604 3.075 . 0 0 "[ . 1 . 2]" 1
34 1 51 ASP H 1 52 LYS H 1.800 . 3.500 2.977 2.568 3.258 . 0 0 "[ . 1 . 2]" 1
35 1 52 LYS H 1 53 LEU H 1.800 . 3.500 2.748 2.568 2.948 . 0 0 "[ . 1 . 2]" 1
36 1 53 LEU H 1 54 GLU H 1.800 . 3.500 2.815 2.655 2.993 . 0 0 "[ . 1 . 2]" 1
37 1 54 GLU H 1 55 LYS H 1.800 . 3.500 2.700 2.510 2.966 . 0 0 "[ . 1 . 2]" 1
38 1 55 LYS H 1 56 ALA H 1.800 . 3.500 2.860 2.553 3.067 . 0 0 "[ . 1 . 2]" 1
39 1 56 ALA H 1 57 ALA H 1.800 . 3.500 2.772 2.552 2.980 . 0 0 "[ . 1 . 2]" 1
40 1 57 ALA H 1 58 VAL H 1.800 . 3.500 2.822 2.593 3.159 . 0 0 "[ . 1 . 2]" 1
41 1 58 VAL H 1 59 GLU H 1.800 . 3.500 2.902 2.688 3.146 . 0 0 "[ . 1 . 2]" 1
42 1 59 GLU H 1 60 ALA H 1.800 . 3.500 2.829 2.633 3.005 . 0 0 "[ . 1 . 2]" 1
43 1 60 ALA H 1 61 PHE H 1.800 . 3.500 2.837 2.567 3.078 . 0 0 "[ . 1 . 2]" 1
44 1 61 PHE H 1 62 LYS H 1.800 . 3.500 2.775 2.479 3.079 . 0 0 "[ . 1 . 2]" 1
45 1 62 LYS H 1 63 MET H 1.800 . 3.500 2.742 2.477 3.065 . 0 0 "[ . 1 . 2]" 1
46 1 65 PHE H 1 66 GLU H 1.800 . 5.000 4.474 3.792 4.624 . 0 0 "[ . 1 . 2]" 1
47 1 66 GLU H 1 67 VAL H 1.800 . 5.000 3.956 3.688 4.273 . 0 0 "[ . 1 . 2]" 1
48 1 67 VAL H 1 68 LEU H 1.800 . 5.000 4.654 4.560 4.696 . 0 0 "[ . 1 . 2]" 1
49 1 68 LEU H 1 69 GLU H 1.800 . 5.000 4.459 4.268 4.559 . 0 0 "[ . 1 . 2]" 1
50 1 69 GLU H 1 70 ALA H 1.800 . 5.000 4.693 4.663 4.706 . 0 0 "[ . 1 . 2]" 1
51 1 70 ALA H 1 71 GLU H 1.800 . 5.000 4.531 4.466 4.580 . 0 0 "[ . 1 . 2]" 1
52 1 72 GLU H 1 73 THR H 1.800 . 5.000 4.415 4.176 4.638 . 0 0 "[ . 1 . 2]" 1
53 1 73 THR H 1 74 GLU H 1.800 . 5.000 4.232 3.749 4.517 . 0 0 "[ . 1 . 2]" 1
54 1 75 ASP H 1 76 GLU H 1.800 . 5.000 3.493 2.213 4.621 . 0 0 "[ . 1 . 2]" 1
55 1 76 GLU H 1 77 ASP H 1.800 . 5.000 2.682 1.925 3.076 . 0 0 "[ . 1 . 2]" 1
56 1 78 GLY H 1 79 ASN H 1.800 . 3.500 2.299 1.792 3.311 0.008 3 0 "[ . 1 . 2]" 1
57 1 82 LEU H 1 83 CYS H 1.800 . 5.000 4.515 4.399 4.602 . 0 0 "[ . 1 . 2]" 1
58 1 84 PHE H 1 85 ASP H 1.800 . 5.000 4.607 4.573 4.628 . 0 0 "[ . 1 . 2]" 1
59 1 85 ASP H 1 86 ALA H 1.800 . 5.000 4.540 4.466 4.586 . 0 0 "[ . 1 . 2]" 1
60 1 86 ALA H 1 87 THR H 1.800 . 5.000 4.317 3.933 4.483 . 0 0 "[ . 1 . 2]" 1
61 1 87 THR H 1 88 MET H 1.800 . 5.000 4.523 4.432 4.598 . 0 0 "[ . 1 . 2]" 1
62 1 88 MET H 1 89 GLN H 1.800 . 5.000 4.071 3.766 4.416 . 0 0 "[ . 1 . 2]" 1
63 1 89 GLN H 1 90 SER H 1.800 . 5.000 4.533 4.335 4.674 . 0 0 "[ . 1 . 2]" 1
64 1 90 SER H 1 91 ALA H 1.800 . 5.000 4.377 4.295 4.458 . 0 0 "[ . 1 . 2]" 1
65 1 91 ALA H 1 92 LEU H 1.800 . 5.000 4.374 3.005 4.695 . 0 0 "[ . 1 . 2]" 1
66 1 92 LEU H 1 93 ASP H 1.800 . 5.000 4.185 3.518 4.617 . 0 0 "[ . 1 . 2]" 1
67 1 93 ASP H 1 94 ALA H 1.800 . 5.000 4.120 3.619 4.417 . 0 0 "[ . 1 . 2]" 1
68 1 94 ALA H 1 95 LYS H 1.800 . 3.500 2.916 2.538 3.373 . 0 0 "[ . 1 . 2]" 1
69 1 95 LYS H 1 96 LEU H 1.800 . 3.500 2.974 2.724 3.279 . 0 0 "[ . 1 . 2]" 1
70 1 96 LEU H 1 97 ILE H 1.800 . 3.500 2.880 2.639 3.093 . 0 0 "[ . 1 . 2]" 1
71 1 97 ILE H 1 98 ASP H 1.800 . 3.500 2.762 2.518 2.971 . 0 0 "[ . 1 . 2]" 1
72 1 98 ASP H 1 99 GLU H 1.800 . 3.500 2.685 2.469 2.840 . 0 0 "[ . 1 . 2]" 1
73 1 99 GLU H 1 100 GLN H 1.800 . 3.500 2.713 2.550 2.827 . 0 0 "[ . 1 . 2]" 1
74 1 100 GLN H 1 101 VAL H 1.800 . 3.500 2.831 2.649 2.972 . 0 0 "[ . 1 . 2]" 1
75 1 101 VAL H 1 102 GLU H 1.800 . 3.500 2.821 2.520 2.988 . 0 0 "[ . 1 . 2]" 1
76 1 102 GLU H 1 103 LYS H 1.800 . 3.500 2.813 2.594 3.094 . 0 0 "[ . 1 . 2]" 1
77 1 103 LYS H 1 104 LEU H 1.800 . 3.500 2.739 2.561 2.951 . 0 0 "[ . 1 . 2]" 1
78 1 104 LEU H 1 105 VAL H 1.800 . 3.500 2.657 2.544 2.930 . 0 0 "[ . 1 . 2]" 1
79 1 105 VAL H 1 106 ASN H 1.800 . 3.500 2.748 2.553 2.943 . 0 0 "[ . 1 . 2]" 1
80 1 106 ASN H 1 107 LEU H 1.800 . 3.500 2.817 2.689 2.940 . 0 0 "[ . 1 . 2]" 1
81 1 107 LEU H 1 108 ALA H 1.800 . 3.500 2.767 2.554 2.943 . 0 0 "[ . 1 . 2]" 1
82 1 108 ALA H 1 109 GLU H 1.800 . 3.500 3.009 2.853 3.193 . 0 0 "[ . 1 . 2]" 1
83 1 112 ASP H 1 113 ILE H 1.800 . 3.500 1.831 1.775 2.045 0.025 3 0 "[ . 1 . 2]" 1
84 1 113 ILE H 1 114 ILE H 1.800 . 5.000 4.499 4.456 4.543 . 0 0 "[ . 1 . 2]" 1
85 1 115 TYR H 1 116 ASP H 1.800 . 5.000 4.233 3.845 4.523 . 0 0 "[ . 1 . 2]" 1
86 1 116 ASP H 1 117 GLY H 1.800 . 3.500 3.327 3.080 3.510 0.010 13 0 "[ . 1 . 2]" 1
87 1 117 GLY H 1 118 TRP H 1.800 . 3.500 2.932 2.534 3.330 . 0 0 "[ . 1 . 2]" 1
88 1 118 TRP H 1 119 GLY H 1.800 . 5.000 4.456 4.105 4.547 . 0 0 "[ . 1 . 2]" 1
89 1 119 GLY H 1 120 THR H 1.800 . 5.000 4.393 4.285 4.496 . 0 0 "[ . 1 . 2]" 1
90 1 120 THR H 1 121 TYR H 1.800 . 5.000 4.470 4.329 4.576 . 0 0 "[ . 1 . 2]" 1
91 1 121 TYR H 1 122 TYR H 1.800 . 5.000 4.474 4.233 4.663 . 0 0 "[ . 1 . 2]" 1
92 1 123 GLU H 1 124 GLY H 1.800 . 5.000 4.122 3.130 4.642 . 0 0 "[ . 1 . 2]" 1
93 1 124 GLY H 1 125 LEU H 1.800 . 5.000 3.100 1.888 4.609 . 0 0 "[ . 1 . 2]" 1
94 1 125 LEU H 1 126 GLU H 1.800 . 5.000 3.739 2.929 4.540 . 0 0 "[ . 1 . 2]" 1
95 1 14 ILE H 1 16 ILE H 1.800 . 5.000 4.546 4.037 4.958 . 0 0 "[ . 1 . 2]" 1
96 1 15 GLU H 1 17 GLN H 1.800 . 5.000 4.432 3.851 4.991 . 0 0 "[ . 1 . 2]" 1
97 1 16 ILE H 1 18 LYS H 1.800 . 5.000 4.231 3.847 4.881 . 0 0 "[ . 1 . 2]" 1
98 1 18 LYS H 1 20 GLU H 1.800 . 5.000 4.461 3.719 5.006 0.006 2 0 "[ . 1 . 2]" 1
99 1 19 GLU H 1 21 THR H 1.800 . 5.000 4.432 3.836 4.947 . 0 0 "[ . 1 . 2]" 1
100 1 20 GLU H 1 22 ARG H 1.800 . 5.000 4.610 3.897 4.888 . 0 0 "[ . 1 . 2]" 1
101 1 21 THR H 1 23 ASP H 1.800 . 5.000 4.267 3.829 4.691 . 0 0 "[ . 1 . 2]" 1
102 1 22 ARG H 1 24 ILE H 1.800 . 5.000 4.424 4.048 4.620 . 0 0 "[ . 1 . 2]" 1
103 1 23 ASP H 1 25 ILE H 1.800 . 5.000 4.634 4.225 5.019 0.019 4 0 "[ . 1 . 2]" 1
104 1 24 ILE H 1 26 GLN H 1.800 . 5.000 4.042 3.623 4.557 . 0 0 "[ . 1 . 2]" 1
105 1 27 ALA H 1 29 LEU H 1.800 . 5.000 4.466 3.841 4.982 . 0 0 "[ . 1 . 2]" 1
106 1 28 LEU H 1 30 GLU H 1.800 . 5.000 4.335 3.715 4.925 . 0 0 "[ . 1 . 2]" 1
107 1 29 LEU H 1 31 ASP H 1.800 . 5.000 4.111 3.671 4.651 . 0 0 "[ . 1 . 2]" 1
108 1 30 GLU H 1 32 GLY H 1.800 . 5.000 4.184 3.774 4.643 . 0 0 "[ . 1 . 2]" 1
109 1 31 ASP H 1 33 SER H 1.800 . 5.000 4.013 3.557 4.520 . 0 0 "[ . 1 . 2]" 1
110 1 51 ASP H 1 53 LEU H 1.800 . 5.000 3.747 3.519 4.075 . 0 0 "[ . 1 . 2]" 1
111 1 52 LYS H 1 54 GLU H 1.800 . 5.000 4.682 4.353 5.007 0.007 1 0 "[ . 1 . 2]" 1
112 1 54 GLU H 1 56 ALA H 1.800 . 5.000 4.690 4.150 4.995 . 0 0 "[ . 1 . 2]" 1
113 1 55 LYS H 1 57 ALA H 1.800 . 5.000 4.016 3.652 4.744 . 0 0 "[ . 1 . 2]" 1
114 1 57 ALA H 1 59 GLU H 1.800 . 5.000 4.348 3.761 4.776 . 0 0 "[ . 1 . 2]" 1
115 1 58 VAL H 1 60 ALA H 1.800 . 5.000 4.308 3.900 4.723 . 0 0 "[ . 1 . 2]" 1
116 1 59 GLU H 1 61 PHE H 1.800 . 5.000 4.378 3.970 4.891 . 0 0 "[ . 1 . 2]" 1
117 1 60 ALA H 1 62 LYS H 1.800 . 5.000 4.236 3.827 4.758 . 0 0 "[ . 1 . 2]" 1
118 1 61 PHE H 1 63 MET H 1.800 . 5.000 4.225 3.781 4.725 . 0 0 "[ . 1 . 2]" 1
119 1 62 LYS H 1 64 GLY H 1.800 . 5.000 4.433 4.053 4.783 . 0 0 "[ . 1 . 2]" 1
120 1 75 ASP H 1 77 ASP H 1.800 . 5.000 3.435 2.686 4.448 . 0 0 "[ . 1 . 2]" 1
121 1 76 GLU H 1 78 GLY H 1.800 . 5.000 3.900 2.623 4.664 . 0 0 "[ . 1 . 2]" 1
122 1 77 ASP H 1 79 ASN H 1.800 . 5.000 3.727 2.502 4.669 . 0 0 "[ . 1 . 2]" 1
123 1 94 ALA H 1 96 LEU H 1.800 . 5.000 4.388 3.980 4.890 . 0 0 "[ . 1 . 2]" 1
124 1 96 LEU H 1 98 ASP H 1.800 . 4.000 3.923 3.740 4.018 0.018 7 0 "[ . 1 . 2]" 1
125 1 97 ILE H 1 99 GLU H 1.800 . 5.000 4.540 4.189 4.832 . 0 0 "[ . 1 . 2]" 1
126 1 99 GLU H 1 101 VAL H 1.800 . 5.000 4.419 3.991 4.988 . 0 0 "[ . 1 . 2]" 1
127 1 100 GLN H 1 102 GLU H 1.800 . 5.000 4.231 3.822 4.668 . 0 0 "[ . 1 . 2]" 1
128 1 102 GLU H 1 104 LEU H 1.800 . 5.000 4.463 4.029 4.892 . 0 0 "[ . 1 . 2]" 1
129 1 103 LYS H 1 105 VAL H 1.800 . 5.000 3.875 3.590 4.654 . 0 0 "[ . 1 . 2]" 1
130 1 105 VAL H 1 107 LEU H 1.800 . 5.000 4.037 3.521 4.604 . 0 0 "[ . 1 . 2]" 1
131 1 106 ASN H 1 108 ALA H 1.800 . 5.000 4.361 3.839 4.796 . 0 0 "[ . 1 . 2]" 1
132 1 108 ALA H 1 110 LYS H 1.800 . 5.000 3.952 3.726 4.260 . 0 0 "[ . 1 . 2]" 1
133 1 111 PHE H 1 113 ILE H 1.800 . 5.000 3.934 3.832 4.061 . 0 0 "[ . 1 . 2]" 1
134 1 9 SER H 1 12 GLU H 1.800 . 5.000 4.385 3.383 5.014 0.014 2 0 "[ . 1 . 2]" 1
135 1 19 GLU H 1 22 ARG H 1.800 . 5.000 4.927 4.790 5.023 0.023 11 0 "[ . 1 . 2]" 1
136 1 20 GLU H 1 23 ASP H 1.800 . 5.000 4.876 4.665 5.030 0.030 5 0 "[ . 1 . 2]" 1
137 1 23 ASP H 1 26 GLN H 1.800 . 5.000 4.802 4.478 5.000 . 0 0 "[ . 1 . 2]" 1
138 1 26 GLN H 1 29 LEU H 1.800 . 5.000 4.843 4.603 5.013 0.013 19 0 "[ . 1 . 2]" 1
139 1 27 ALA H 1 30 GLU H 1.800 . 5.000 4.819 4.551 4.945 . 0 0 "[ . 1 . 2]" 1
140 1 28 LEU H 1 31 ASP H 1.800 . 5.000 4.732 4.432 4.934 . 0 0 "[ . 1 . 2]" 1
141 1 29 LEU H 1 32 GLY H 1.800 . 5.000 4.926 4.719 5.030 0.030 3 0 "[ . 1 . 2]" 1
142 1 49 ASP H 1 52 LYS H 1.800 . 5.000 4.753 4.358 4.978 . 0 0 "[ . 1 . 2]" 1
143 1 60 ALA H 1 63 MET H 1.800 . 5.000 4.855 4.626 5.011 0.011 13 0 "[ . 1 . 2]" 1
144 1 75 ASP H 1 78 GLY H 1.800 . 5.000 3.375 2.263 4.345 . 0 0 "[ . 1 . 2]" 1
145 1 99 GLU H 1 102 GLU H 1.800 . 5.000 4.772 4.465 4.990 . 0 0 "[ . 1 . 2]" 1
146 1 75 ASP H 1 79 ASN H 1.800 . 4.000 2.994 2.285 3.878 . 0 0 "[ . 1 . 2]" 1
147 1 4 GLN HA 1 5 ASP H 1.800 . 4.000 2.697 2.211 3.573 . 0 0 "[ . 1 . 2]" 1
148 1 7 TYR HA 1 8 LEU H 1.800 . 2.800 2.398 2.188 2.807 0.007 19 0 "[ . 1 . 2]" 1
149 1 13 LEU HA 1 14 ILE H 1.800 . 4.000 3.565 3.485 3.588 . 0 0 "[ . 1 . 2]" 1
150 1 14 ILE HA 1 15 GLU H 1.800 . 4.000 3.567 3.517 3.589 . 0 0 "[ . 1 . 2]" 1
151 1 15 GLU HA 1 16 ILE H 1.800 . 4.000 3.584 3.560 3.591 . 0 0 "[ . 1 . 2]" 1
152 1 35 PRO HA 1 36 ASP H 1.800 . 4.000 3.435 3.284 3.555 . 0 0 "[ . 1 . 2]" 1
153 1 36 ASP HA 1 37 ALA H 1.800 . 4.000 3.319 3.079 3.511 . 0 0 "[ . 1 . 2]" 1
154 1 39 TYR HA 1 40 GLU H 1.800 . 2.800 2.357 2.203 2.521 . 0 0 "[ . 1 . 2]" 1
155 1 40 GLU HA 1 41 ILE H 1.800 . 2.800 2.208 2.185 2.284 . 0 0 "[ . 1 . 2]" 1
156 1 41 ILE HA 1 42 GLU H 1.800 . 2.800 2.280 2.187 2.410 . 0 0 "[ . 1 . 2]" 1
157 1 42 GLU HA 1 43 HIS H 1.800 . 2.800 2.220 2.186 2.308 . 0 0 "[ . 1 . 2]" 1
158 1 43 HIS HA 1 44 HIS H 1.800 . 2.800 2.281 2.196 2.396 . 0 0 "[ . 1 . 2]" 1
159 1 45 LEU HA 1 46 PHE H 1.800 . 2.800 2.261 2.199 2.334 . 0 0 "[ . 1 . 2]" 1
160 1 46 PHE HA 1 47 ALA H 1.800 . 2.800 2.391 2.303 2.506 . 0 0 "[ . 1 . 2]" 1
161 1 47 ALA HA 1 48 GLU H 1.800 . 2.800 2.546 2.398 2.622 . 0 0 "[ . 1 . 2]" 1
162 1 48 GLU HA 1 49 ASP H 1.800 . 4.000 3.469 3.314 3.581 . 0 0 "[ . 1 . 2]" 1
163 1 49 ASP HA 1 50 PHE H 1.800 . 2.800 2.219 2.192 2.298 . 0 0 "[ . 1 . 2]" 1
164 1 50 PHE HA 1 51 ASP H 1.800 . 4.000 3.499 3.399 3.569 . 0 0 "[ . 1 . 2]" 1
165 1 51 ASP HA 1 52 LYS H 1.800 . 4.000 3.580 3.565 3.588 . 0 0 "[ . 1 . 2]" 1
166 1 52 LYS HA 1 53 LEU H 1.800 . 4.000 3.502 3.432 3.570 . 0 0 "[ . 1 . 2]" 1
167 1 53 LEU HA 1 54 GLU H 1.800 . 4.000 3.582 3.559 3.590 . 0 0 "[ . 1 . 2]" 1
168 1 55 LYS HA 1 56 ALA H 1.800 . 4.000 3.585 3.567 3.591 . 0 0 "[ . 1 . 2]" 1
169 1 56 ALA HA 1 57 ALA H 1.800 . 4.000 3.551 3.477 3.590 . 0 0 "[ . 1 . 2]" 1
170 1 57 ALA HA 1 58 VAL H 1.800 . 4.000 3.576 3.530 3.591 . 0 0 "[ . 1 . 2]" 1
171 1 58 VAL HA 1 59 GLU H 1.800 . 4.000 3.573 3.505 3.593 . 0 0 "[ . 1 . 2]" 1
172 1 60 ALA HA 1 61 PHE H 1.800 . 4.000 3.569 3.532 3.590 . 0 0 "[ . 1 . 2]" 1
173 1 61 PHE HA 1 62 LYS H 1.800 . 4.000 3.554 3.452 3.590 . 0 0 "[ . 1 . 2]" 1
174 1 62 LYS HA 1 63 MET H 1.800 . 4.000 3.543 3.437 3.590 . 0 0 "[ . 1 . 2]" 1
175 1 63 MET HA 1 64 GLY H 1.800 . 4.000 3.571 3.485 3.592 . 0 0 "[ . 1 . 2]" 1
176 1 64 GLY QA 1 65 PHE H 1.800 . 5.000 2.803 2.406 2.933 . 0 0 "[ . 1 . 2]" 1
177 1 65 PHE HA 1 66 GLU H 1.800 . 2.800 2.286 2.190 2.491 . 0 0 "[ . 1 . 2]" 1
178 1 66 GLU HA 1 67 VAL H 1.800 . 2.800 2.367 2.236 2.489 . 0 0 "[ . 1 . 2]" 1
179 1 67 VAL HA 1 68 LEU H 1.800 . 2.800 2.265 2.188 2.444 . 0 0 "[ . 1 . 2]" 1
180 1 68 LEU HA 1 69 GLU H 1.800 . 4.000 2.254 2.206 2.308 . 0 0 "[ . 1 . 2]" 1
181 1 69 GLU HA 1 70 ALA H 1.800 . 2.800 2.373 2.259 2.521 . 0 0 "[ . 1 . 2]" 1
182 1 70 ALA HA 1 71 GLU H 1.800 . 2.800 2.538 2.379 2.614 . 0 0 "[ . 1 . 2]" 1
183 1 71 GLU HA 1 72 GLU H 1.800 . 2.800 2.282 2.192 2.712 . 0 0 "[ . 1 . 2]" 1
184 1 72 GLU HA 1 73 THR H 1.800 . 4.000 2.215 2.186 2.318 . 0 0 "[ . 1 . 2]" 1
185 1 73 THR HA 1 74 GLU H 1.800 . 4.000 2.889 2.500 3.252 . 0 0 "[ . 1 . 2]" 1
186 1 74 GLU HA 1 75 ASP H 1.800 . 2.800 2.298 2.190 2.694 . 0 0 "[ . 1 . 2]" 1
187 1 75 ASP HA 1 76 GLU H 1.800 . 4.000 3.020 2.531 3.586 . 0 0 "[ . 1 . 2]" 1
188 1 76 GLU HA 1 77 ASP H 1.800 . 4.000 3.145 2.885 3.577 . 0 0 "[ . 1 . 2]" 1
189 1 77 ASP HA 1 78 GLY H 1.800 . 4.000 3.410 2.993 3.584 . 0 0 "[ . 1 . 2]" 1
190 1 78 GLY QA 1 79 ASN H 1.800 . 5.000 2.685 2.310 2.938 . 0 0 "[ . 1 . 2]" 1
191 1 79 ASN HA 1 80 LYS H 1.800 . 4.000 2.838 2.192 3.590 . 0 0 "[ . 1 . 2]" 1
192 1 80 LYS HA 1 81 LEU H 1.800 . 4.000 2.258 2.189 2.471 . 0 0 "[ . 1 . 2]" 1
193 1 81 LEU HA 1 82 LEU H 1.800 . 2.800 2.491 2.256 2.810 0.010 19 0 "[ . 1 . 2]" 1
194 1 82 LEU HA 1 83 CYS H 1.800 . 2.800 2.230 2.196 2.268 . 0 0 "[ . 1 . 2]" 1
195 1 83 CYS HA 1 84 PHE H 1.800 . 2.800 2.223 2.185 2.260 . 0 0 "[ . 1 . 2]" 1
196 1 84 PHE HA 1 85 ASP H 1.800 . 2.800 2.373 2.278 2.494 . 0 0 "[ . 1 . 2]" 1
197 1 85 ASP HA 1 86 ALA H 1.800 . 2.800 2.373 2.251 2.516 . 0 0 "[ . 1 . 2]" 1
198 1 86 ALA HA 1 87 THR H 1.800 . 2.800 2.247 2.193 2.418 . 0 0 "[ . 1 . 2]" 1
199 1 87 THR HA 1 88 MET H 1.800 . 2.800 2.325 2.227 2.449 . 0 0 "[ . 1 . 2]" 1
200 1 88 MET HA 1 89 GLN H 1.800 . 2.800 2.225 2.189 2.357 . 0 0 "[ . 1 . 2]" 1
201 1 89 GLN HA 1 90 SER H 1.800 . 2.800 2.212 2.183 2.276 . 0 0 "[ . 1 . 2]" 1
202 1 90 SER HA 1 91 ALA H 1.800 . 2.800 2.493 2.244 2.824 0.024 15 0 "[ . 1 . 2]" 1
203 1 91 ALA HA 1 92 LEU H 1.800 . 2.800 2.450 2.188 2.808 0.008 17 0 "[ . 1 . 2]" 1
204 1 92 LEU HA 1 93 ASP H 1.800 . 2.800 2.256 2.187 2.388 . 0 0 "[ . 1 . 2]" 1
205 1 94 ALA HA 1 95 LYS H 1.800 . 4.000 3.573 3.532 3.588 . 0 0 "[ . 1 . 2]" 1
206 1 95 LYS HA 1 96 LEU H 1.800 . 4.000 3.575 3.508 3.595 . 0 0 "[ . 1 . 2]" 1
207 1 96 LEU HA 1 97 ILE H 1.800 . 4.000 3.579 3.537 3.589 . 0 0 "[ . 1 . 2]" 1
208 1 97 ILE HA 1 98 ASP H 1.800 . 4.000 3.506 3.460 3.556 . 0 0 "[ . 1 . 2]" 1
209 1 98 ASP HA 1 99 GLU H 1.800 . 4.000 3.572 3.531 3.588 . 0 0 "[ . 1 . 2]" 1
210 1 99 GLU HA 1 100 GLN H 1.800 . 4.000 3.562 3.531 3.587 . 0 0 "[ . 1 . 2]" 1
211 1 100 GLN HA 1 101 VAL H 1.800 . 4.000 3.580 3.539 3.592 . 0 0 "[ . 1 . 2]" 1
212 1 101 VAL HA 1 102 GLU H 1.800 . 4.000 3.564 3.480 3.590 . 0 0 "[ . 1 . 2]" 1
213 1 102 GLU HA 1 103 LYS H 1.800 . 4.000 3.548 3.480 3.578 . 0 0 "[ . 1 . 2]" 1
214 1 104 LEU HA 1 105 VAL H 1.800 . 4.000 3.495 3.423 3.587 . 0 0 "[ . 1 . 2]" 1
215 1 105 VAL HA 1 106 ASN H 1.800 . 5.000 3.579 3.545 3.591 . 0 0 "[ . 1 . 2]" 1
216 1 106 ASN HA 1 107 LEU H 1.800 . 4.000 3.566 3.526 3.588 . 0 0 "[ . 1 . 2]" 1
217 1 107 LEU HA 1 108 ALA H 1.800 . 4.000 3.574 3.536 3.591 . 0 0 "[ . 1 . 2]" 1
218 1 108 ALA HA 1 109 GLU H 1.800 . 5.000 3.584 3.565 3.593 . 0 0 "[ . 1 . 2]" 1
219 1 109 GLU HA 1 110 LYS H 1.800 . 4.000 3.497 3.434 3.567 . 0 0 "[ . 1 . 2]" 1
220 1 110 LYS HA 1 111 PHE H 1.800 . 4.000 3.513 3.466 3.544 . 0 0 "[ . 1 . 2]" 1
221 1 111 PHE HA 1 112 ASP H 1.800 . 4.000 3.567 3.556 3.575 . 0 0 "[ . 1 . 2]" 1
222 1 112 ASP HA 1 113 ILE H 1.800 . 4.000 2.917 2.778 2.967 . 0 0 "[ . 1 . 2]" 1
223 1 113 ILE HA 1 114 ILE H 1.800 . 2.800 2.460 2.229 2.616 . 0 0 "[ . 1 . 2]" 1
224 1 114 ILE HA 1 115 TYR H 1.800 . 2.800 2.225 2.188 2.318 . 0 0 "[ . 1 . 2]" 1
225 1 115 TYR HA 1 116 ASP H 1.800 . 2.800 2.231 2.194 2.314 . 0 0 "[ . 1 . 2]" 1
226 1 116 ASP HA 1 117 GLY H 1.800 . 4.000 2.393 2.319 2.567 . 0 0 "[ . 1 . 2]" 1
227 1 117 GLY QA 1 118 TRP H 1.800 . 3.800 2.362 2.241 2.533 . 0 0 "[ . 1 . 2]" 1
228 1 118 TRP HA 1 119 GLY H 1.800 . 2.800 2.289 2.198 2.456 . 0 0 "[ . 1 . 2]" 1
229 1 119 GLY QA 1 120 THR H 1.800 . 3.800 2.283 2.209 2.331 . 0 0 "[ . 1 . 2]" 1
230 1 120 THR HA 1 121 TYR H 1.800 . 2.800 2.424 2.199 2.580 . 0 0 "[ . 1 . 2]" 1
231 1 121 TYR HA 1 122 TYR H 1.800 . 2.800 2.263 2.188 2.488 . 0 0 "[ . 1 . 2]" 1
232 1 122 TYR HA 1 123 GLU H 1.800 . 2.800 2.316 2.185 2.625 . 0 0 "[ . 1 . 2]" 1
233 1 123 GLU HA 1 124 GLY H 1.800 . 2.800 2.435 2.194 2.818 0.018 13 0 "[ . 1 . 2]" 1
234 1 124 GLY QA 1 125 LEU H 1.800 . 3.800 2.493 2.159 2.926 . 0 0 "[ . 1 . 2]" 1
235 1 125 LEU HA 1 126 GLU H 1.800 . 2.800 2.371 2.187 2.819 0.019 12 0 "[ . 1 . 2]" 1
236 1 126 GLU HA 1 127 HIS H 1.800 . 5.000 2.751 2.192 3.578 . 0 0 "[ . 1 . 2]" 1
237 1 31 ASP H 1 32 GLY QA 1.800 . 6.000 4.481 3.892 4.693 . 0 0 "[ . 1 . 2]" 1
238 1 35 PRO QD 1 36 ASP H 1.800 . 3.500 2.870 2.606 3.056 . 0 0 "[ . 1 . 2]" 1
239 1 9 SER HA 1 11 GLU H 1.800 . 4.000 3.629 3.050 4.025 0.025 11 0 "[ . 1 . 2]" 1
240 1 29 LEU HA 1 31 ASP H 1.800 . 5.000 4.199 3.840 4.653 . 0 0 "[ . 1 . 2]" 1
241 1 30 GLU HA 1 32 GLY H 1.800 . 5.000 4.141 3.760 4.751 . 0 0 "[ . 1 . 2]" 1
242 1 31 ASP HA 1 33 SER H 1.800 . 5.000 4.811 4.104 5.014 0.014 9 0 "[ . 1 . 2]" 1
243 1 35 PRO HA 1 37 ALA H 1.800 . 5.000 3.576 3.165 3.991 . 0 0 "[ . 1 . 2]" 1
244 1 49 ASP HA 1 51 ASP H 1.800 . 4.000 3.676 3.276 3.976 . 0 0 "[ . 1 . 2]" 1
245 1 51 ASP HA 1 53 LEU H 1.800 . 5.000 4.139 3.843 4.526 . 0 0 "[ . 1 . 2]" 1
246 1 56 ALA HA 1 58 VAL H 1.800 . 5.000 4.669 4.193 5.003 0.003 17 0 "[ . 1 . 2]" 1
247 1 57 ALA HA 1 59 GLU H 1.800 . 5.000 4.626 4.033 4.997 . 0 0 "[ . 1 . 2]" 1
248 1 61 PHE HA 1 63 MET H 1.800 . 5.000 4.338 3.746 4.906 . 0 0 "[ . 1 . 2]" 1
249 1 62 LYS HA 1 64 GLY H 1.800 . 5.000 4.642 4.012 5.001 0.001 3 0 "[ . 1 . 2]" 1
250 1 75 ASP HA 1 77 ASP H 1.800 . 5.000 4.247 3.864 4.984 . 0 0 "[ . 1 . 2]" 1
251 1 76 GLU HA 1 78 GLY H 1.800 . 5.000 4.376 3.663 5.044 0.044 3 0 "[ . 1 . 2]" 1
252 1 97 ILE HA 1 99 GLU H 1.800 . 5.000 4.606 4.195 4.959 . 0 0 "[ . 1 . 2]" 1
253 1 105 VAL HA 1 107 LEU H 1.800 . 5.000 4.599 4.132 4.986 . 0 0 "[ . 1 . 2]" 1
254 1 109 GLU HA 1 111 PHE H 1.800 . 4.000 3.945 3.681 4.025 0.025 8 0 "[ . 1 . 2]" 1
255 1 115 TYR HA 1 117 GLY H 1.800 . 5.000 4.841 4.290 5.011 0.011 10 0 "[ . 1 . 2]" 1
256 1 9 SER HA 1 12 GLU H 1.800 . 5.000 3.882 2.874 4.933 . 0 0 "[ . 1 . 2]" 1
257 1 10 VAL HA 1 13 LEU H 1.800 . 4.000 3.654 3.147 4.008 0.008 19 0 "[ . 1 . 2]" 1
258 1 11 GLU HA 1 14 ILE H 1.800 . 4.000 3.648 3.291 4.003 0.003 8 0 "[ . 1 . 2]" 1
259 1 12 GLU HA 1 15 GLU H 1.800 . 4.000 3.581 3.243 3.945 . 0 0 "[ . 1 . 2]" 1
260 1 13 LEU HA 1 16 ILE H 1.800 . 4.000 3.798 3.476 4.010 0.010 3 0 "[ . 1 . 2]" 1
261 1 14 ILE HA 1 17 GLN H 1.800 . 5.000 3.772 3.280 4.317 . 0 0 "[ . 1 . 2]" 1
262 1 15 GLU HA 1 18 LYS H 1.800 . 4.000 3.603 3.155 3.954 . 0 0 "[ . 1 . 2]" 1
263 1 16 ILE HA 1 19 GLU H 1.800 . 4.000 3.573 3.333 3.790 . 0 0 "[ . 1 . 2]" 1
264 1 18 LYS HA 1 21 THR H 1.800 . 5.000 4.012 3.388 4.536 . 0 0 "[ . 1 . 2]" 1
265 1 19 GLU HA 1 22 ARG H 1.800 . 4.000 3.750 3.429 4.001 0.001 17 0 "[ . 1 . 2]" 1
266 1 20 GLU HA 1 23 ASP H 1.800 . 4.000 3.588 3.154 3.827 . 0 0 "[ . 1 . 2]" 1
267 1 21 THR HA 1 24 ILE H 1.800 . 5.000 3.342 3.027 3.664 . 0 0 "[ . 1 . 2]" 1
268 1 22 ARG HA 1 25 ILE H 1.800 . 4.000 3.906 3.625 4.015 0.015 2 0 "[ . 1 . 2]" 1
269 1 23 ASP HA 1 26 GLN H 1.800 . 4.000 3.850 3.619 3.996 . 0 0 "[ . 1 . 2]" 1
270 1 24 ILE HA 1 27 ALA H 1.800 . 4.000 3.402 3.150 3.855 . 0 0 "[ . 1 . 2]" 1
271 1 25 ILE HA 1 28 LEU H 1.800 . 4.000 3.717 3.472 4.010 0.010 8 0 "[ . 1 . 2]" 1
272 1 29 LEU HA 1 32 GLY H 1.800 . 5.000 3.407 3.178 3.781 . 0 0 "[ . 1 . 2]" 1
273 1 50 PHE HA 1 53 LEU H 1.800 . 5.000 3.559 3.365 3.812 . 0 0 "[ . 1 . 2]" 1
274 1 51 ASP HA 1 54 GLU H 1.800 . 4.000 3.698 3.216 3.993 . 0 0 "[ . 1 . 2]" 1
275 1 52 LYS HA 1 55 LYS H 1.800 . 5.000 3.418 3.023 3.720 . 0 0 "[ . 1 . 2]" 1
276 1 53 LEU HA 1 56 ALA H 1.800 . 4.000 3.849 3.510 4.005 0.005 16 0 "[ . 1 . 2]" 1
277 1 54 GLU HA 1 57 ALA H 1.800 . 4.000 3.696 3.384 3.957 . 0 0 "[ . 1 . 2]" 1
278 1 55 LYS HA 1 58 VAL H 1.800 . 5.000 3.770 3.432 4.215 . 0 0 "[ . 1 . 2]" 1
279 1 56 ALA HA 1 59 GLU H 1.800 . 4.000 3.658 3.340 3.962 . 0 0 "[ . 1 . 2]" 1
280 1 57 ALA HA 1 60 ALA H 1.800 . 4.000 3.537 3.304 3.864 . 0 0 "[ . 1 . 2]" 1
281 1 58 VAL HA 1 61 PHE H 1.800 . 4.000 3.585 3.166 3.900 . 0 0 "[ . 1 . 2]" 1
282 1 59 GLU HA 1 62 LYS H 1.800 . 4.000 3.502 3.135 3.794 . 0 0 "[ . 1 . 2]" 1
283 1 60 ALA HA 1 63 MET H 1.800 . 4.000 3.520 3.163 3.941 . 0 0 "[ . 1 . 2]" 1
284 1 61 PHE HA 1 64 GLY H 1.800 . 5.000 3.569 3.209 4.173 . 0 0 "[ . 1 . 2]" 1
285 1 94 ALA HA 1 97 ILE H 1.800 . 4.000 3.600 3.283 3.923 . 0 0 "[ . 1 . 2]" 1
286 1 95 LYS HA 1 98 ASP H 1.800 . 4.000 3.580 3.242 3.886 . 0 0 "[ . 1 . 2]" 1
287 1 97 ILE HA 1 100 GLN H 1.800 . 4.000 3.543 3.299 3.703 . 0 0 "[ . 1 . 2]" 1
288 1 98 ASP HA 1 101 VAL H 1.800 . 4.000 3.750 3.444 3.981 . 0 0 "[ . 1 . 2]" 1
289 1 99 GLU HA 1 102 GLU H 1.800 . 4.000 3.697 3.122 4.001 0.001 11 0 "[ . 1 . 2]" 1
290 1 101 VAL HA 1 104 LEU H 1.800 . 4.000 3.388 3.139 3.617 . 0 0 "[ . 1 . 2]" 1
291 1 102 GLU HA 1 105 VAL H 1.800 . 4.000 3.516 3.201 3.855 . 0 0 "[ . 1 . 2]" 1
292 1 103 LYS HA 1 106 ASN H 1.800 . 4.000 3.706 3.439 4.006 0.006 15 0 "[ . 1 . 2]" 1
293 1 104 LEU HA 1 107 LEU H 1.800 . 4.000 3.781 3.400 3.963 . 0 0 "[ . 1 . 2]" 1
294 1 105 VAL HA 1 108 ALA H 1.800 . 4.000 3.668 3.394 3.978 . 0 0 "[ . 1 . 2]" 1
295 1 106 ASN HA 1 109 GLU H 1.800 . 4.000 3.883 3.612 3.983 . 0 0 "[ . 1 . 2]" 1
296 1 108 ALA HA 1 111 PHE H 1.800 . 5.000 3.720 3.440 3.949 . 0 0 "[ . 1 . 2]" 1
297 1 109 GLU HA 1 112 ASP H 1.800 . 5.000 4.300 3.989 4.632 . 0 0 "[ . 1 . 2]" 1
298 1 13 LEU HA 1 17 GLN H 1.800 . 5.000 3.979 3.331 4.398 . 0 0 "[ . 1 . 2]" 1
299 1 14 ILE HA 1 18 LYS H 1.800 . 5.000 4.081 3.544 4.535 . 0 0 "[ . 1 . 2]" 1
300 1 20 GLU HA 1 24 ILE H 1.800 . 5.000 4.399 4.040 4.688 . 0 0 "[ . 1 . 2]" 1
301 1 23 ASP HA 1 27 ALA H 1.800 . 5.000 4.308 3.977 4.551 . 0 0 "[ . 1 . 2]" 1
302 1 25 ILE HA 1 29 LEU H 1.800 . 5.000 3.860 3.548 4.454 . 0 0 "[ . 1 . 2]" 1
303 1 26 GLN HA 1 30 GLU H 1.800 . 5.000 3.949 3.333 4.466 . 0 0 "[ . 1 . 2]" 1
304 1 29 LEU HA 1 33 SER H 1.800 . 5.000 3.274 2.871 3.582 . 0 0 "[ . 1 . 2]" 1
305 1 50 PHE HA 1 54 GLU H 1.800 . 5.000 4.005 3.484 4.589 . 0 0 "[ . 1 . 2]" 1
306 1 51 ASP HA 1 55 LYS H 1.800 . 5.000 4.466 4.092 4.740 . 0 0 "[ . 1 . 2]" 1
307 1 52 LYS HA 1 56 ALA H 1.800 . 5.000 3.839 3.589 4.295 . 0 0 "[ . 1 . 2]" 1
308 1 56 ALA HA 1 60 ALA H 1.800 . 5.000 4.175 3.736 4.547 . 0 0 "[ . 1 . 2]" 1
309 1 58 VAL HA 1 62 LYS H 1.800 . 5.000 4.236 3.929 4.524 . 0 0 "[ . 1 . 2]" 1
310 1 59 GLU HA 1 63 MET H 1.800 . 5.000 4.278 3.682 4.589 . 0 0 "[ . 1 . 2]" 1
311 1 61 PHE HA 1 65 PHE H 1.800 . 4.000 2.949 2.235 3.970 . 0 0 "[ . 1 . 2]" 1
312 1 74 GLU HA 1 78 GLY H 1.800 . 5.000 4.613 4.011 5.019 0.019 18 0 "[ . 1 . 2]" 1
313 1 94 ALA HA 1 98 ASP H 1.800 . 5.000 4.106 3.721 4.523 . 0 0 "[ . 1 . 2]" 1
314 1 97 ILE HA 1 101 VAL H 1.800 . 5.000 3.768 3.543 4.398 . 0 0 "[ . 1 . 2]" 1
315 1 98 ASP HA 1 102 GLU H 1.800 . 5.000 3.840 3.478 4.427 . 0 0 "[ . 1 . 2]" 1
316 1 101 VAL HA 1 105 VAL H 1.800 . 5.000 4.113 3.720 4.403 . 0 0 "[ . 1 . 2]" 1
317 1 102 GLU HA 1 106 ASN H 1.800 . 5.000 3.952 3.733 4.284 . 0 0 "[ . 1 . 2]" 1
318 1 104 LEU HA 1 108 ALA H 1.800 . 5.000 3.627 3.336 3.885 . 0 0 "[ . 1 . 2]" 1
319 1 105 VAL HA 1 109 GLU H 1.800 . 5.000 4.009 3.582 4.220 . 0 0 "[ . 1 . 2]" 1
320 1 106 ASN HA 1 110 LYS H 1.800 . 5.000 4.230 3.883 4.558 . 0 0 "[ . 1 . 2]" 1
321 1 107 LEU HA 1 111 PHE H 1.800 . 5.000 4.423 4.271 4.542 . 0 0 "[ . 1 . 2]" 1
322 1 109 GLU HA 1 113 ILE H 1.800 . 5.000 3.830 3.488 4.229 . 0 0 "[ . 1 . 2]" 1
323 1 8 LEU QB 1 9 SER H 1.800 . 6.000 2.988 1.776 4.022 0.024 17 0 "[ . 1 . 2]" 1
324 1 36 ASP QB 1 37 ALA H 1.800 . 6.000 3.429 2.902 3.929 . 0 0 "[ . 1 . 2]" 1
325 1 39 TYR QB 1 40 GLU H 1.800 . 4.500 2.878 2.475 3.398 . 0 0 "[ . 1 . 2]" 1
326 1 69 GLU QB 1 70 ALA H 1.800 . 4.500 2.859 2.284 3.500 . 0 0 "[ . 1 . 2]" 1
327 1 70 ALA MB 1 71 GLU H 1.800 . 4.500 2.237 2.075 2.541 . 0 0 "[ . 1 . 2]" 1
328 1 72 GLU QB 1 73 THR H 1.800 . 4.500 3.536 3.068 3.908 . 0 0 "[ . 1 . 2]" 1
329 1 73 THR HB 1 74 GLU H 1.800 . 3.500 3.281 2.282 3.524 0.024 4 0 "[ . 1 . 2]" 1
330 1 75 ASP QB 1 76 GLU H 1.800 . 4.500 2.811 1.662 4.051 0.138 13 0 "[ . 1 . 2]" 1
331 1 79 ASN QB 1 80 LYS H 1.800 . 5.000 3.002 1.686 3.882 0.114 5 0 "[ . 1 . 2]" 1
332 1 105 VAL HB 1 106 ASN H 1.800 . 3.500 2.415 2.030 2.782 . 0 0 "[ . 1 . 2]" 1
333 1 7 TYR QD 1 8 LEU H 1.800 . 7.400 3.943 2.639 4.873 . 0 0 "[ . 1 . 2]" 1
334 1 17 GLN QG 1 18 LYS H 1.800 . 6.000 4.152 3.310 4.614 . 0 0 "[ . 1 . 2]" 1
335 1 44 HIS HD2 1 45 LEU H 1.800 . 5.000 4.154 2.335 5.012 0.012 16 0 "[ . 1 . 2]" 1
336 1 46 PHE QD 1 47 ALA H 1.800 . 7.000 4.504 4.166 4.664 . 0 0 "[ . 1 . 2]" 1
337 1 61 PHE QD 1 62 LYS H 1.800 . 7.000 3.248 2.220 4.008 . 0 0 "[ . 1 . 2]" 1
338 1 36 ASP H 1 37 ALA MB 1.800 . 6.000 4.056 3.754 4.453 . 0 0 "[ . 1 . 2]" 1
339 1 38 LEU H 1 39 TYR QD 1.800 . 7.000 4.113 3.085 4.910 . 0 0 "[ . 1 . 2]" 1
340 1 40 GLU H 1 41 ILE MD 1.800 . 6.000 3.689 3.014 4.154 . 0 0 "[ . 1 . 2]" 1
341 1 29 LEU QB 1 31 ASP H 1.800 . 6.000 4.507 4.209 4.940 . 0 0 "[ . 1 . 2]" 1
342 1 29 LEU QD 1 31 ASP H 1.800 . 7.400 4.964 4.260 5.491 . 0 0 "[ . 1 . 2]" 1
343 1 26 GLN QB 1 28 LEU H 1.800 . 6.000 4.758 4.430 5.305 . 0 0 "[ . 1 . 2]" 1
344 1 30 GLU QB 1 32 GLY H 1.800 . 6.000 4.681 4.373 5.107 . 0 0 "[ . 1 . 2]" 1
345 1 31 ASP QB 1 33 SER H 1.800 . 6.000 3.385 2.654 5.419 . 0 0 "[ . 1 . 2]" 1
346 1 9 SER QB 1 11 GLU H 1.800 . 5.000 3.678 2.622 4.546 . 0 0 "[ . 1 . 2]" 1
347 1 35 PRO QD 1 37 ALA H 1.800 . 6.000 4.669 4.289 5.039 . 0 0 "[ . 1 . 2]" 1
348 1 47 ALA MB 1 49 ASP H 1.800 . 6.000 2.852 2.515 3.498 . 0 0 "[ . 1 . 2]" 1
349 1 49 ASP QB 1 51 ASP H 1.800 . 6.000 2.996 2.368 3.624 . 0 0 "[ . 1 . 2]" 1
350 1 55 LYS QB 1 57 ALA H 1.800 . 6.000 4.478 4.117 4.950 . 0 0 "[ . 1 . 2]" 1
351 1 56 ALA MB 1 58 VAL H 1.800 . 6.000 4.695 4.384 4.964 . 0 0 "[ . 1 . 2]" 1
352 1 57 ALA MB 1 59 GLU H 1.800 . 6.000 4.584 4.177 4.874 . 0 0 "[ . 1 . 2]" 1
353 1 59 GLU QB 1 61 PHE H 1.800 . 6.000 4.775 4.440 5.243 . 0 0 "[ . 1 . 2]" 1
354 1 60 ALA MB 1 62 LYS H 1.800 . 6.000 4.492 4.102 4.827 . 0 0 "[ . 1 . 2]" 1
355 1 62 LYS QB 1 64 GLY H 1.800 . 6.000 4.909 4.456 5.331 . 0 0 "[ . 1 . 2]" 1
356 1 63 MET QB 1 65 PHE H 1.800 . 6.000 3.436 2.920 4.674 . 0 0 "[ . 1 . 2]" 1
357 1 75 ASP QB 1 77 ASP H 1.800 . 6.000 3.228 2.155 4.968 . 0 0 "[ . 1 . 2]" 1
358 1 77 ASP QB 1 79 ASN H 1.800 . 6.000 4.313 2.891 5.401 . 0 0 "[ . 1 . 2]" 1
359 1 84 PHE QD 1 86 ALA H 1.800 . 7.000 5.279 4.948 5.539 . 0 0 "[ . 1 . 2]" 1
360 1 96 LEU QB 1 98 ASP H 1.800 . 6.000 4.334 4.044 4.485 . 0 0 "[ . 1 . 2]" 1
361 1 98 ASP QB 1 100 GLN H 1.800 . 6.000 4.672 4.383 5.004 . 0 0 "[ . 1 . 2]" 1
362 1 101 VAL QG 1 103 LYS H 1.800 . 7.400 4.436 4.121 4.848 . 0 0 "[ . 1 . 2]" 1
363 1 109 GLU QB 1 111 PHE H 1.800 . 6.000 4.671 4.437 4.811 . 0 0 "[ . 1 . 2]" 1
364 1 111 PHE QB 1 113 ILE H 1.800 . 6.000 3.372 3.215 3.650 . 0 0 "[ . 1 . 2]" 1
365 1 115 TYR QD 1 117 GLY H 1.800 . 7.000 4.026 2.968 4.549 . 0 0 "[ . 1 . 2]" 1
366 1 10 VAL HA 1 13 LEU QB 1.800 . 5.000 3.069 2.376 3.664 . 0 0 "[ . 1 . 2]" 1
367 1 11 GLU HA 1 14 ILE HB 1.800 . 4.000 2.782 2.475 3.022 . 0 0 "[ . 1 . 2]" 1
368 1 12 GLU HA 1 15 GLU QB 1.800 . 6.000 2.686 2.259 3.297 . 0 0 "[ . 1 . 2]" 1
369 1 14 ILE HA 1 17 GLN QB 1.800 . 5.000 2.679 2.265 3.233 . 0 0 "[ . 1 . 2]" 1
370 1 15 GLU HA 1 18 LYS QB 1.800 . 5.000 2.638 2.200 3.167 . 0 0 "[ . 1 . 2]" 1
371 1 16 ILE HA 1 19 GLU QB 1.800 . 5.000 3.090 2.626 3.749 . 0 0 "[ . 1 . 2]" 1
372 1 17 GLN HA 1 20 GLU QB 1.800 . 5.000 2.638 2.341 3.155 . 0 0 "[ . 1 . 2]" 1
373 1 21 THR HA 1 24 ILE HB 1.800 . 5.000 2.839 2.448 3.214 . 0 0 "[ . 1 . 2]" 1
374 1 22 ARG HA 1 25 ILE HB 1.800 . 4.000 2.918 2.645 3.217 . 0 0 "[ . 1 . 2]" 1
375 1 23 ASP HA 1 26 GLN QB 1.800 . 5.000 2.789 2.458 3.119 . 0 0 "[ . 1 . 2]" 1
376 1 24 ILE HA 1 27 ALA MB 1.800 . 5.000 2.765 2.316 3.206 . 0 0 "[ . 1 . 2]" 1
377 1 25 ILE HA 1 28 LEU QB 1.800 . 6.000 2.786 2.410 3.175 . 0 0 "[ . 1 . 2]" 1
378 1 27 ALA HA 1 30 GLU QB 1.800 . 5.000 2.718 2.376 3.058 . 0 0 "[ . 1 . 2]" 1
379 1 28 LEU HA 1 31 ASP QB 1.800 . 5.000 2.840 2.210 4.171 . 0 0 "[ . 1 . 2]" 1
380 1 50 PHE HA 1 53 LEU QB 1.800 . 5.000 2.341 2.100 2.785 . 0 0 "[ . 1 . 2]" 1
381 1 51 ASP HA 1 54 GLU QB 1.800 . 5.000 3.352 2.777 3.830 . 0 0 "[ . 1 . 2]" 1
382 1 53 LEU HA 1 56 ALA MB 1.800 . 5.000 3.255 2.943 3.543 . 0 0 "[ . 1 . 2]" 1
383 1 54 GLU HA 1 57 ALA MB 1.800 . 5.000 2.443 2.162 2.674 . 0 0 "[ . 1 . 2]" 1
384 1 55 LYS HA 1 58 VAL HB 1.800 . 4.000 2.998 2.554 3.587 . 0 0 "[ . 1 . 2]" 1
385 1 56 ALA HA 1 59 GLU QB 1.800 . 5.000 2.840 2.214 3.215 . 0 0 "[ . 1 . 2]" 1
386 1 57 ALA HA 1 60 ALA MB 1.800 . 5.000 2.623 2.274 3.041 . 0 0 "[ . 1 . 2]" 1
387 1 58 VAL HA 1 61 PHE QB 1.800 . 6.000 2.823 2.293 3.350 . 0 0 "[ . 1 . 2]" 1
388 1 60 ALA HA 1 63 MET QB 1.800 . 5.000 2.805 2.215 3.440 . 0 0 "[ . 1 . 2]" 1
389 1 98 ASP HA 1 101 VAL HB 1.800 . 5.000 2.922 2.439 3.322 . 0 0 "[ . 1 . 2]" 1
390 1 102 GLU HA 1 105 VAL HB 1.800 . 5.000 2.480 2.249 2.773 . 0 0 "[ . 1 . 2]" 1
391 1 104 LEU HA 1 107 LEU QB 1.800 . 6.000 2.687 2.434 2.992 . 0 0 "[ . 1 . 2]" 1
392 1 105 VAL HA 1 108 ALA MB 1.800 . 5.000 2.555 2.208 2.791 . 0 0 "[ . 1 . 2]" 1
393 1 106 ASN HA 1 109 GLU QB 1.800 . 5.000 3.229 2.846 3.466 . 0 0 "[ . 1 . 2]" 1
394 1 107 LEU HA 1 110 LYS QB 1.800 . 5.000 2.201 2.051 2.551 . 0 0 "[ . 1 . 2]" 1
395 1 11 GLU HA 1 14 ILE MG 1.800 . 5.000 4.043 3.767 4.132 . 0 0 "[ . 1 . 2]" 1
396 1 11 GLU HA 1 14 ILE MD 1.800 . 6.000 2.588 2.165 3.027 . 0 0 "[ . 1 . 2]" 1
397 1 13 LEU HA 1 16 ILE MD 1.800 . 6.000 2.858 2.149 4.643 . 0 0 "[ . 1 . 2]" 1
398 1 15 GLU HA 1 18 LYS QD 1.800 . 6.000 3.461 2.226 4.909 . 0 0 "[ . 1 . 2]" 1
399 1 15 GLU HA 1 18 LYS QE 1.800 . 6.000 3.562 2.192 4.752 . 0 0 "[ . 1 . 2]" 1
400 1 21 THR HA 1 24 ILE MG 1.800 . 6.000 4.209 3.872 4.586 . 0 0 "[ . 1 . 2]" 1
401 1 21 THR HA 1 24 ILE MD 1.800 . 6.000 2.621 2.164 3.052 . 0 0 "[ . 1 . 2]" 1
402 1 23 ASP HA 1 26 GLN QG 1.800 . 4.000 3.198 2.267 3.636 . 0 0 "[ . 1 . 2]" 1
403 1 25 ILE HA 1 28 LEU MD1 1.800 . 6.000 2.961 2.161 4.351 . 0 0 "[ . 1 . 2]" 1
404 1 27 ALA HA 1 30 GLU QG 1.800 . 6.000 4.493 3.647 4.977 . 0 0 "[ . 1 . 2]" 1
405 1 55 LYS HA 1 58 VAL QG 1.800 . 7.400 3.273 2.456 3.746 . 0 0 "[ . 1 . 2]" 1
406 1 56 ALA HA 1 59 GLU QG 1.800 . 6.000 4.347 2.771 5.226 . 0 0 "[ . 1 . 2]" 1
407 1 60 ALA HA 1 63 MET QG 1.800 . 6.000 3.767 2.548 4.502 . 0 0 "[ . 1 . 2]" 1
408 1 94 ALA HA 1 97 ILE MG 1.800 . 6.000 3.927 3.499 4.369 . 0 0 "[ . 1 . 2]" 1
409 1 94 ALA HA 1 97 ILE MD 1.800 . 6.000 2.582 2.099 2.908 . 0 0 "[ . 1 . 2]" 1
410 1 98 ASP HA 1 101 VAL MG1 1.800 . 6.000 4.203 3.558 4.627 . 0 0 "[ . 1 . 2]" 1
411 1 98 ASP HA 1 101 VAL MG2 1.800 . 6.000 3.606 2.894 4.118 . 0 0 "[ . 1 . 2]" 1
412 1 101 VAL HA 1 104 LEU QD 1.800 . 7.400 2.797 2.189 3.310 . 0 0 "[ . 1 . 2]" 1
413 1 102 GLU HA 1 105 VAL MG1 1.800 . 6.000 3.714 3.475 3.948 . 0 0 "[ . 1 . 2]" 1
414 1 102 GLU HA 1 105 VAL MG2 1.800 . 6.000 3.003 2.407 3.733 . 0 0 "[ . 1 . 2]" 1
415 1 107 LEU HA 1 110 LYS QG 1.800 . 6.000 3.954 2.816 4.548 . 0 0 "[ . 1 . 2]" 1
416 1 107 LEU HA 1 110 LYS QD 1.800 . 6.000 3.368 2.845 4.185 . 0 0 "[ . 1 . 2]" 1
417 1 39 TYR H 1 90 SER H 1.800 . 4.000 3.078 2.649 3.325 . 0 0 "[ . 1 . 2]" 1
418 1 39 TYR H 1 91 ALA H 1.800 . 5.000 4.721 4.288 5.009 0.009 11 0 "[ . 1 . 2]" 1
419 1 40 GLU H 1 121 TYR H 1.800 . 5.000 4.089 3.525 4.925 . 0 0 "[ . 1 . 2]" 1
420 1 41 ILE H 1 90 SER H 1.800 . 5.000 4.093 3.447 4.992 . 0 0 "[ . 1 . 2]" 1
421 1 41 ILE H 1 88 MET H 1.800 . 5.000 2.915 2.648 3.210 . 0 0 "[ . 1 . 2]" 1
422 1 42 GLU H 1 119 GLY H 1.800 . 4.000 3.199 2.908 3.477 . 0 0 "[ . 1 . 2]" 1
423 1 44 HIS H 1 117 GLY H 1.800 . 5.000 4.220 3.680 4.539 . 0 0 "[ . 1 . 2]" 1
424 1 44 HIS H 1 118 TRP H 1.800 . 5.000 4.832 4.608 5.009 0.009 12 0 "[ . 1 . 2]" 1
425 1 44 HIS H 1 119 GLY H 1.800 . 6.000 5.157 4.602 5.561 . 0 0 "[ . 1 . 2]" 1
426 1 45 LEU H 1 84 PHE H 1.800 . 4.000 3.873 3.533 4.019 0.019 13 0 "[ . 1 . 2]" 1
427 1 45 LEU H 1 86 ALA H 1.800 . 6.000 4.911 4.625 5.267 . 0 0 "[ . 1 . 2]" 1
428 1 46 PHE H 1 116 ASP H 1.800 . 5.000 4.922 4.680 5.014 0.014 3 0 "[ . 1 . 2]" 1
429 1 47 ALA H 1 82 LEU H 1.800 . 4.000 3.433 2.993 3.918 . 0 0 "[ . 1 . 2]" 1
430 1 47 ALA H 1 83 CYS H 1.800 . 6.000 5.355 5.269 5.406 . 0 0 "[ . 1 . 2]" 1
431 1 47 ALA H 1 84 PHE H 1.800 . 6.000 4.871 4.546 5.329 . 0 0 "[ . 1 . 2]" 1
432 1 66 GLU H 1 87 THR H 1.800 . 4.000 2.628 2.086 3.179 . 0 0 "[ . 1 . 2]" 1
433 1 68 LEU H 1 85 ASP H 1.800 . 5.000 2.812 2.491 3.128 . 0 0 "[ . 1 . 2]" 1
434 1 70 ALA H 1 83 CYS H 1.800 . 6.000 5.553 5.289 5.872 . 0 0 "[ . 1 . 2]" 1
435 1 71 GLU H 1 83 CYS H 1.800 . 5.000 2.591 2.335 2.939 . 0 0 "[ . 1 . 2]" 1
436 1 73 THR H 1 81 LEU H 1.800 . 4.000 3.137 2.380 3.793 . 0 0 "[ . 1 . 2]" 1
437 1 93 ASP H 1 97 ILE H 1.800 . 5.000 3.911 3.465 4.333 . 0 0 "[ . 1 . 2]" 1
438 1 38 LEU HA 1 92 LEU H 1.800 . 5.000 4.290 3.527 5.022 0.022 15 0 "[ . 1 . 2]" 1
439 1 39 TYR H 1 91 ALA HA 1.800 . 4.000 3.156 2.749 3.557 . 0 0 "[ . 1 . 2]" 1
440 1 39 TYR H 1 89 GLN HA 1.800 . 5.000 4.567 4.001 4.962 . 0 0 "[ . 1 . 2]" 1
441 1 40 GLU HA 1 88 MET H 1.800 . 5.000 4.197 3.989 4.596 . 0 0 "[ . 1 . 2]" 1
442 1 40 GLU HA 1 90 SER H 1.800 . 4.000 3.372 2.958 3.902 . 0 0 "[ . 1 . 2]" 1
443 1 41 ILE H 1 89 GLN HA 1.800 . 4.000 3.412 3.111 3.609 . 0 0 "[ . 1 . 2]" 1
444 1 41 ILE H 1 87 THR HA 1.800 . 5.000 4.701 4.380 4.981 . 0 0 "[ . 1 . 2]" 1
445 1 41 ILE HA 1 121 TYR H 1.800 . 5.000 4.294 3.607 4.938 . 0 0 "[ . 1 . 2]" 1
446 1 42 GLU HA 1 88 MET H 1.800 . 5.000 3.955 3.529 4.165 . 0 0 "[ . 1 . 2]" 1
447 1 42 GLU H 1 120 THR HA 1.800 . 5.000 3.133 2.717 3.610 . 0 0 "[ . 1 . 2]" 1
448 1 43 HIS H 1 87 THR HA 1.800 . 5.000 3.610 3.312 3.962 . 0 0 "[ . 1 . 2]" 1
449 1 43 HIS HA 1 119 GLY H 1.800 . 4.000 3.643 3.327 3.956 . 0 0 "[ . 1 . 2]" 1
450 1 44 HIS H 1 118 TRP HA 1.800 . 5.000 3.291 2.833 3.753 . 0 0 "[ . 1 . 2]" 1
451 1 44 HIS HA 1 86 ALA H 1.800 . 5.000 3.800 3.607 4.099 . 0 0 "[ . 1 . 2]" 1
452 1 45 LEU H 1 85 ASP HA 1.800 . 4.000 3.355 3.018 3.681 . 0 0 "[ . 1 . 2]" 1
453 1 45 LEU HA 1 116 ASP H 1.800 . 4.000 3.757 3.501 3.970 . 0 0 "[ . 1 . 2]" 1
454 1 46 PHE H 1 83 CYS HA 1.800 . 5.000 4.577 4.385 4.827 . 0 0 "[ . 1 . 2]" 1
455 1 46 PHE H 1 115 TYR HA 1.800 . 5.000 4.292 3.819 4.780 . 0 0 "[ . 1 . 2]" 1
456 1 46 PHE HA 1 83 CYS H 1.800 . 5.000 4.775 4.677 4.949 . 0 0 "[ . 1 . 2]" 1
457 1 46 PHE HA 1 84 PHE H 1.800 . 4.000 3.106 2.915 3.492 . 0 0 "[ . 1 . 2]" 1
458 1 47 ALA H 1 83 CYS HA 1.800 . 4.000 3.874 3.637 3.996 . 0 0 "[ . 1 . 2]" 1
459 1 47 ALA H 1 81 LEU HA 1.800 . 6.000 5.497 4.985 6.002 0.002 1 0 "[ . 1 . 2]" 1
460 1 65 PHE HA 1 87 THR H 1.800 . 5.000 4.389 3.895 4.934 . 0 0 "[ . 1 . 2]" 1
461 1 66 GLU H 1 86 ALA HA 1.800 . 5.000 4.200 3.587 4.742 . 0 0 "[ . 1 . 2]" 1
462 1 67 VAL HA 1 87 THR H 1.800 . 4.000 3.905 3.699 4.007 0.007 18 0 "[ . 1 . 2]" 1
463 1 68 LEU H 1 86 ALA HA 1.800 . 4.000 3.250 2.850 3.648 . 0 0 "[ . 1 . 2]" 1
464 1 69 GLU HA 1 85 ASP H 1.800 . 5.000 5.019 4.815 5.058 0.058 17 0 "[ . 1 . 2]" 1
465 1 70 ALA H 1 84 PHE HA 1.800 . 4.000 3.934 3.802 4.020 0.020 3 0 "[ . 1 . 2]" 1
466 1 71 GLU H 1 84 PHE HA 1.800 . 5.000 4.356 4.219 4.690 . 0 0 "[ . 1 . 2]" 1
467 1 71 GLU H 1 82 LEU HA 1.800 . 5.000 4.104 3.738 4.448 . 0 0 "[ . 1 . 2]" 1
468 1 71 GLU HA 1 83 CYS H 1.800 . 5.000 4.920 4.717 5.014 0.014 20 0 "[ . 1 . 2]" 1
469 1 73 THR H 1 82 LEU HA 1.800 . 4.000 3.777 3.490 4.013 0.013 11 0 "[ . 1 . 2]" 1
470 1 74 GLU HA 1 79 ASN H 1.800 . 5.000 3.473 2.490 4.286 . 0 0 "[ . 1 . 2]" 1
471 1 74 GLU HA 1 80 LYS H 1.800 . 5.000 4.384 2.485 5.004 0.004 15 0 "[ . 1 . 2]" 1
472 1 74 GLU HA 1 81 LEU H 1.800 . 4.000 3.652 3.150 4.015 0.015 14 0 "[ . 1 . 2]" 1
473 1 72 GLU HA 1 83 CYS H 1.800 . 5.000 4.442 3.885 4.963 . 0 0 "[ . 1 . 2]" 1
474 1 105 VAL HA 1 115 TYR H 1.800 . 5.000 4.812 4.532 4.996 . 0 0 "[ . 1 . 2]" 1
475 1 108 ALA HA 1 113 ILE H 1.800 . 4.000 3.581 3.366 3.730 . 0 0 "[ . 1 . 2]" 1
476 1 40 GLU HA 1 89 GLN HA 1.800 . 5.000 2.390 2.201 2.731 . 0 0 "[ . 1 . 2]" 1
477 1 42 GLU HA 1 87 THR HA 1.800 . 4.000 2.461 2.195 2.731 . 0 0 "[ . 1 . 2]" 1
478 1 43 HIS HA 1 118 TRP HA 1.800 . 4.000 2.324 2.184 2.526 . 0 0 "[ . 1 . 2]" 1
479 1 44 HIS HA 1 85 ASP HA 1.800 . 5.000 2.579 2.219 2.945 . 0 0 "[ . 1 . 2]" 1
480 1 45 LEU HA 1 115 TYR HA 1.800 . 5.000 3.123 2.657 3.647 . 0 0 "[ . 1 . 2]" 1
481 1 46 PHE HA 1 83 CYS HA 1.800 . 3.000 2.176 2.155 2.196 . 0 0 "[ . 1 . 2]" 1
482 1 48 GLU HA 1 81 LEU HA 1.800 . 5.000 4.094 3.615 4.879 . 0 0 "[ . 1 . 2]" 1
483 1 67 VAL HA 1 86 ALA HA 1.800 . 4.000 2.236 2.185 2.361 . 0 0 "[ . 1 . 2]" 1
484 1 69 GLU HA 1 84 PHE HA 1.800 . 5.000 4.577 4.302 4.759 . 0 0 "[ . 1 . 2]" 1
485 1 70 ALA HA 1 84 PHE HA 1.800 . 6.000 2.260 2.187 2.521 . 0 0 "[ . 1 . 2]" 1
486 1 72 GLU HA 1 82 LEU HA 1.800 . 5.000 3.186 2.721 3.723 . 0 0 "[ . 1 . 2]" 1
487 1 74 GLU HA 1 80 LYS HA 1.800 . 5.000 3.675 2.927 4.613 . 0 0 "[ . 1 . 2]" 1
488 1 107 LEU HA 1 110 LYS HA 1.800 . 6.000 4.892 4.584 5.250 . 0 0 "[ . 1 . 2]" 1
489 1 9 SER QB 1 12 GLU H 1.800 . 6.000 3.487 2.043 5.210 . 0 0 "[ . 1 . 2]" 1
490 1 9 SER H 1 12 GLU QB 1.800 . 6.000 4.866 4.186 5.311 . 0 0 "[ . 1 . 2]" 1
491 1 9 SER H 1 12 GLU QG 1.800 . 6.000 3.767 2.976 4.849 . 0 0 "[ . 1 . 2]" 1
492 1 11 GLU H 1 14 ILE MD 1.800 . 6.000 4.256 3.620 4.850 . 0 0 "[ . 1 . 2]" 1
493 1 16 ILE MG 1 19 GLU H 1.800 . 6.000 4.607 4.310 4.833 . 0 0 "[ . 1 . 2]" 1
494 1 16 ILE MG 1 20 GLU H 1.800 . 6.000 3.661 3.329 4.039 . 0 0 "[ . 1 . 2]" 1
495 1 21 THR MG 1 24 ILE H 1.800 . 6.000 4.464 4.138 4.904 . 0 0 "[ . 1 . 2]" 1
496 1 21 THR H 1 118 TRP HE1 1.800 . 6.000 4.167 3.584 4.852 . 0 0 "[ . 1 . 2]" 1
497 1 21 THR H 1 24 ILE MD 1.800 . 6.000 4.245 3.745 4.757 . 0 0 "[ . 1 . 2]" 1
498 1 24 ILE MD 1 120 THR H 1.800 . 6.000 4.475 3.921 4.883 . 0 0 "[ . 1 . 2]" 1
499 1 24 ILE MG 1 120 THR H 1.800 . 6.000 4.394 3.973 4.868 . 0 0 "[ . 1 . 2]" 1
500 1 24 ILE MG 1 28 LEU H 1.800 . 6.000 3.636 3.143 4.298 . 0 0 "[ . 1 . 2]" 1
501 1 25 ILE HB 1 94 ALA H 1.800 . 5.000 4.793 4.210 5.023 0.023 14 0 "[ . 1 . 2]" 1
502 1 25 ILE MD 1 93 ASP H 1.800 . 6.000 4.207 3.568 4.739 . 0 0 "[ . 1 . 2]" 1
503 1 25 ILE MD 1 94 ALA H 1.800 . 6.000 4.265 3.542 4.767 . 0 0 "[ . 1 . 2]" 1
504 1 25 ILE MG 1 94 ALA H 1.800 . 6.000 2.975 2.260 3.631 . 0 0 "[ . 1 . 2]" 1
505 1 25 ILE H 1 118 TRP HZ2 1.800 . 5.000 4.935 4.692 5.014 0.014 17 0 "[ . 1 . 2]" 1
506 1 25 ILE H 1 97 ILE MD 1.800 . 6.000 4.791 4.415 5.039 . 0 0 "[ . 1 . 2]" 1
507 1 26 GLN QB 1 29 LEU H 1.800 . 6.000 5.139 4.453 5.412 . 0 0 "[ . 1 . 2]" 1
508 1 28 LEU QB 1 33 SER H 1.800 . 6.000 4.492 3.997 5.388 . 0 0 "[ . 1 . 2]" 1
509 1 28 LEU QD 1 120 THR H 1.800 . 7.400 4.918 4.612 5.418 . 0 0 "[ . 1 . 2]" 1
510 1 28 LEU QD 1 122 TYR H 1.800 . 7.400 4.670 3.742 5.369 . 0 0 "[ . 1 . 2]" 1
511 1 28 LEU QD 1 123 GLU H 1.800 . 7.400 4.583 2.513 5.315 . 0 0 "[ . 1 . 2]" 1
512 1 28 LEU H 1 92 LEU QD 1.800 . 7.400 4.582 4.298 4.873 . 0 0 "[ . 1 . 2]" 1
513 1 29 LEU QB 1 33 SER H 1.800 . 6.000 5.197 4.880 5.382 . 0 0 "[ . 1 . 2]" 1
514 1 29 LEU QD 1 32 GLY H 1.800 . 7.400 4.294 3.384 5.033 . 0 0 "[ . 1 . 2]" 1
515 1 29 LEU QD 1 33 SER H 1.800 . 7.400 4.138 3.452 4.764 . 0 0 "[ . 1 . 2]" 1
516 1 29 LEU H 1 92 LEU QD 1.800 . 7.400 3.687 3.090 4.335 . 0 0 "[ . 1 . 2]" 1
517 1 33 SER H 1 122 TYR QE 1.800 . 7.000 5.001 4.048 6.100 . 0 0 "[ . 1 . 2]" 1
518 1 33 SER H 1 39 TYR QE 1.800 . 7.000 6.066 5.199 6.313 . 0 0 "[ . 1 . 2]" 1
519 1 37 ALA H 1 39 TYR QD 1.800 . 7.000 4.655 4.212 5.079 . 0 0 "[ . 1 . 2]" 1
520 1 38 LEU QB 1 90 SER H 1.800 . 6.000 4.735 3.875 5.368 . 0 0 "[ . 1 . 2]" 1
521 1 38 LEU QD 1 90 SER H 1.800 . 7.400 3.184 2.604 4.110 . 0 0 "[ . 1 . 2]" 1
522 1 38 LEU QD 1 91 ALA H 1.800 . 7.400 3.626 2.668 4.803 . 0 0 "[ . 1 . 2]" 1
523 1 38 LEU QD 1 92 LEU H 1.800 . 7.400 4.788 4.238 5.195 . 0 0 "[ . 1 . 2]" 1
524 1 39 TYR QB 1 90 SER H 1.800 . 6.000 3.927 3.567 4.250 . 0 0 "[ . 1 . 2]" 1
525 1 39 TYR QD 1 90 SER H 1.800 . 7.000 5.801 5.544 6.096 . 0 0 "[ . 1 . 2]" 1
526 1 39 TYR QE 1 122 TYR H 1.800 . 7.000 4.929 4.573 5.864 . 0 0 "[ . 1 . 2]" 1
527 1 39 TYR QE 1 92 LEU H 1.800 . 7.000 5.471 4.632 6.492 . 0 0 "[ . 1 . 2]" 1
528 1 39 TYR H 1 41 ILE MD 1.800 . 6.000 4.487 4.173 4.845 . 0 0 "[ . 1 . 2]" 1
529 1 40 GLU QB 1 121 TYR H 1.800 . 6.000 4.080 3.030 5.183 . 0 0 "[ . 1 . 2]" 1
530 1 40 GLU H 1 89 GLN HA 1.800 . 5.000 4.943 4.757 5.039 0.039 4 0 "[ . 1 . 2]" 1
531 1 41 ILE HB 1 88 MET H 1.800 . 4.000 3.564 2.873 3.991 . 0 0 "[ . 1 . 2]" 1
532 1 41 ILE MD 1 90 SER H 1.800 . 5.000 3.510 2.965 4.036 . 0 0 "[ . 1 . 2]" 1
533 1 41 ILE QG 1 90 SER H 1.800 . 6.000 4.184 2.880 5.406 . 0 0 "[ . 1 . 2]" 1
534 1 41 ILE MG 1 119 GLY H 1.800 . 6.000 3.693 3.149 4.523 . 0 0 "[ . 1 . 2]" 1
535 1 41 ILE MG 1 88 MET H 1.800 . 7.000 4.612 3.953 5.068 . 0 0 "[ . 1 . 2]" 1
536 1 41 ILE H 1 87 THR MG 1.800 . 6.000 4.278 3.676 4.721 . 0 0 "[ . 1 . 2]" 1
537 1 41 ILE H 1 88 MET QB 1.800 . 6.000 3.773 3.384 4.197 . 0 0 "[ . 1 . 2]" 1
538 1 42 GLU QB 1 119 GLY H 1.800 . 6.000 3.584 2.867 4.819 . 0 0 "[ . 1 . 2]" 1
539 1 42 GLU H 1 118 TRP QB 1.800 . 6.000 4.761 4.268 5.074 . 0 0 "[ . 1 . 2]" 1
540 1 42 GLU H 1 120 THR HB 1.800 . 5.000 4.114 3.187 4.840 . 0 0 "[ . 1 . 2]" 1
541 1 42 GLU H 1 87 THR MG 1.800 . 6.000 4.604 4.268 4.870 . 0 0 "[ . 1 . 2]" 1
542 1 43 HIS HA 1 86 ALA H 1.800 . 6.000 4.801 4.571 5.075 . 0 0 "[ . 1 . 2]" 1
543 1 43 HIS QB 1 86 ALA H 1.800 . 6.000 3.530 3.185 3.934 . 0 0 "[ . 1 . 2]" 1
544 1 43 HIS HE1 1 101 VAL H 1.800 . 5.000 4.428 3.859 4.983 . 0 0 "[ . 1 . 2]" 1
545 1 43 HIS H 1 104 LEU MD1 1.800 . 6.000 4.841 4.406 5.073 . 0 0 "[ . 1 . 2]" 1
546 1 43 HIS H 1 85 ASP QB 1.800 . 7.000 4.651 3.964 5.272 . 0 0 "[ . 1 . 2]" 1
547 1 43 HIS H 1 86 ALA MB 1.800 . 6.000 3.238 2.936 3.607 . 0 0 "[ . 1 . 2]" 1
548 1 43 HIS H 1 87 THR MG 1.800 . 6.000 4.216 3.837 4.612 . 0 0 "[ . 1 . 2]" 1
549 1 44 HIS QB 1 117 GLY H 1.800 . 6.000 4.522 3.964 4.985 . 0 0 "[ . 1 . 2]" 1
550 1 44 HIS H 1 115 TYR QD 1.800 . 7.000 4.156 3.191 4.983 . 0 0 "[ . 1 . 2]" 1
551 1 45 LEU QB 1 84 PHE H 1.800 . 6.000 4.182 3.725 4.385 . 0 0 "[ . 1 . 2]" 1
552 1 45 LEU QD 1 108 ALA H 1.800 . 7.400 4.420 3.929 4.840 . 0 0 "[ . 1 . 2]" 1
553 1 45 LEU QD 1 116 ASP H 1.800 . 7.400 4.464 4.038 5.009 . 0 0 "[ . 1 . 2]" 1
554 1 45 LEU QD 1 86 ALA H 1.800 . 7.400 3.753 3.139 4.192 . 0 0 "[ . 1 . 2]" 1
555 1 45 LEU HG 1 116 ASP H 1.800 . 6.000 4.167 3.564 4.745 . 0 0 "[ . 1 . 2]" 1
556 1 45 LEU HG 1 117 GLY H 1.800 . 6.000 5.723 5.318 5.959 . 0 0 "[ . 1 . 2]" 1
557 1 46 PHE QB 1 84 PHE H 1.800 . 6.000 4.360 4.045 4.793 . 0 0 "[ . 1 . 2]" 1
558 1 46 PHE H 1 113 ILE HB 1.800 . 5.000 3.699 3.406 4.122 . 0 0 "[ . 1 . 2]" 1
559 1 46 PHE H 1 113 ILE MD 1.800 . 6.000 4.457 4.047 4.773 . 0 0 "[ . 1 . 2]" 1
560 1 46 PHE H 1 113 ILE MG 1.800 . 6.000 4.681 4.363 4.944 . 0 0 "[ . 1 . 2]" 1
561 1 46 PHE H 1 84 PHE HZ 1.800 . 5.000 4.755 4.485 4.963 . 0 0 "[ . 1 . 2]" 1
562 1 46 PHE HZ 1 116 ASP H 1.800 . 5.000 3.369 2.526 4.699 . 0 0 "[ . 1 . 2]" 1
563 1 47 ALA MB 1 114 ILE H 1.800 . 6.000 4.803 4.526 4.964 . 0 0 "[ . 1 . 2]" 1
564 1 47 ALA H 1 53 LEU QD 1.800 . 7.400 3.033 2.336 3.594 . 0 0 "[ . 1 . 2]" 1
565 1 47 ALA H 1 81 LEU QD 1.800 . 7.400 4.039 3.225 5.288 . 0 0 "[ . 1 . 2]" 1
566 1 47 ALA H 1 82 LEU QB 1.800 . 6.000 3.457 3.159 3.780 . 0 0 "[ . 1 . 2]" 1
567 1 47 ALA H 1 84 PHE QE 1.800 . 7.000 3.434 2.759 3.885 . 0 0 "[ . 1 . 2]" 1
568 1 48 GLU H 1 113 ILE MG 1.800 . 6.000 3.788 3.352 4.127 . 0 0 "[ . 1 . 2]" 1
569 1 49 ASP QB 1 52 LYS H 1.800 . 6.000 2.386 1.959 2.850 . 0 0 "[ . 1 . 2]" 1
570 1 49 ASP H 1 112 ASP QB 1.800 . 6.000 5.254 5.103 5.356 . 0 0 "[ . 1 . 2]" 1
571 1 49 ASP H 1 113 ILE MG 1.800 . 6.000 4.662 4.397 4.952 . 0 0 "[ . 1 . 2]" 1
572 1 49 ASP H 1 52 LYS QG 1.800 . 6.000 4.142 2.933 5.247 . 0 0 "[ . 1 . 2]" 1
573 1 49 ASP H 1 82 LEU QD 1.800 . 7.400 4.934 4.178 5.388 . 0 0 "[ . 1 . 2]" 1
574 1 50 PHE H 1 53 LEU QD 1.800 . 7.400 4.724 4.334 5.193 . 0 0 "[ . 1 . 2]" 1
575 1 50 PHE H 1 82 LEU QD 1.800 . 7.400 3.747 3.214 4.791 . 0 0 "[ . 1 . 2]" 1
576 1 51 ASP H 1 53 LEU QD 1.800 . 7.400 5.348 5.094 5.517 . 0 0 "[ . 1 . 2]" 1
577 1 52 LYS QG 1 113 ILE H 1.800 . 6.000 4.821 4.358 5.168 . 0 0 "[ . 1 . 2]" 1
578 1 53 LEU QD 1 70 ALA H 1.800 . 7.400 4.648 3.789 5.356 . 0 0 "[ . 1 . 2]" 1
579 1 53 LEU QD 1 83 CYS H 1.800 . 7.400 4.329 3.939 4.694 . 0 0 "[ . 1 . 2]" 1
580 1 53 LEU QD 1 84 PHE H 1.800 . 7.400 3.510 3.232 3.994 . 0 0 "[ . 1 . 2]" 1
581 1 56 ALA MB 1 111 PHE H 1.800 . 6.000 4.728 4.535 4.896 . 0 0 "[ . 1 . 2]" 1
582 1 56 ALA MB 1 113 ILE H 1.800 . 6.000 4.859 4.655 5.025 . 0 0 "[ . 1 . 2]" 1
583 1 58 VAL QG 1 61 PHE H 1.800 . 7.400 4.355 3.933 4.724 . 0 0 "[ . 1 . 2]" 1
584 1 58 VAL QG 1 62 LYS H 1.800 . 7.400 3.856 3.623 4.132 . 0 0 "[ . 1 . 2]" 1
585 1 60 ALA MB 1 63 MET H 1.800 . 6.000 4.600 4.293 4.808 . 0 0 "[ . 1 . 2]" 1
586 1 60 ALA MB 1 65 PHE H 1.800 . 6.000 4.262 3.787 4.689 . 0 0 "[ . 1 . 2]" 1
587 1 60 ALA H 1 107 LEU QD 1.800 . 7.400 3.409 2.952 3.863 . 0 0 "[ . 1 . 2]" 1
588 1 60 ALA H 1 67 VAL QG 1.800 . 7.400 5.212 4.606 5.438 . 0 0 "[ . 1 . 2]" 1
589 1 61 PHE H 1 67 VAL HB 1.800 . 5.000 3.977 3.442 4.496 . 0 0 "[ . 1 . 2]" 1
590 1 61 PHE H 1 67 VAL QG 1.800 . 7.400 3.927 3.607 4.324 . 0 0 "[ . 1 . 2]" 1
591 1 64 GLY H 1 88 MET ME 1.800 . 6.000 4.538 3.784 4.952 . 0 0 "[ . 1 . 2]" 1
592 1 65 PHE QB 1 87 THR H 1.800 . 6.000 3.739 3.124 4.178 . 0 0 "[ . 1 . 2]" 1
593 1 65 PHE QD 1 88 MET H 1.800 . 7.000 4.788 4.317 5.280 . 0 0 "[ . 1 . 2]" 1
594 1 65 PHE H 1 88 MET ME 1.800 . 6.000 4.317 3.118 4.833 . 0 0 "[ . 1 . 2]" 1
595 1 66 GLU QB 1 87 THR H 1.800 . 6.000 2.582 2.262 3.026 . 0 0 "[ . 1 . 2]" 1
596 1 66 GLU QG 1 87 THR H 1.800 . 6.000 4.404 3.534 4.842 . 0 0 "[ . 1 . 2]" 1
597 1 66 GLU H 1 87 THR HB 1.800 . 5.000 4.114 3.626 4.642 . 0 0 "[ . 1 . 2]" 1
598 1 66 GLU H 1 87 THR MG 1.800 . 6.000 5.010 4.812 5.075 . 0 0 "[ . 1 . 2]" 1
599 1 68 LEU QB 1 85 ASP H 1.800 . 6.000 2.572 2.136 3.022 . 0 0 "[ . 1 . 2]" 1
600 1 68 LEU H 1 84 PHE QD 1.800 . 7.000 3.975 3.413 4.424 . 0 0 "[ . 1 . 2]" 1
601 1 68 LEU H 1 85 ASP QB 1.800 . 6.000 3.645 3.211 4.149 . 0 0 "[ . 1 . 2]" 1
602 1 70 ALA MB 1 83 CYS H 1.800 . 6.000 1.891 1.694 2.195 0.106 9 0 "[ . 1 . 2]" 1
603 1 70 ALA MB 1 84 PHE H 1.800 . 6.000 2.862 2.661 3.095 . 0 0 "[ . 1 . 2]" 1
604 1 70 ALA MB 1 85 ASP H 1.800 . 6.000 4.290 4.129 4.487 . 0 0 "[ . 1 . 2]" 1
605 1 70 ALA H 1 84 PHE QB 1.800 . 6.000 3.702 3.305 3.987 . 0 0 "[ . 1 . 2]" 1
606 1 71 GLU QB 1 83 CYS H 1.800 . 6.000 4.851 4.302 5.317 . 0 0 "[ . 1 . 2]" 1
607 1 71 GLU H 1 82 LEU QD 1.800 . 7.400 5.027 4.479 5.420 . 0 0 "[ . 1 . 2]" 1
608 1 71 GLU H 1 83 CYS QB 1.800 . 6.000 3.814 3.183 4.651 . 0 0 "[ . 1 . 2]" 1
609 1 72 GLU QB 1 81 LEU H 1.800 . 6.000 4.702 4.210 5.121 . 0 0 "[ . 1 . 2]" 1
610 1 73 THR MG 1 81 LEU H 1.800 . 6.000 3.591 2.149 4.940 . 0 0 "[ . 1 . 2]" 1
611 1 73 THR MG 1 83 CYS H 1.800 . 6.000 3.738 3.215 4.585 . 0 0 "[ . 1 . 2]" 1
612 1 73 THR H 1 82 LEU QD 1.800 . 7.400 4.889 4.152 5.350 . 0 0 "[ . 1 . 2]" 1
613 1 74 GLU QB 1 78 GLY H 1.800 . 6.000 3.615 2.347 5.369 . 0 0 "[ . 1 . 2]" 1
614 1 74 GLU QB 1 79 ASN H 1.800 . 6.000 3.072 1.966 5.115 . 0 0 "[ . 1 . 2]" 1
615 1 74 GLU QG 1 78 GLY H 1.800 . 6.000 4.169 3.025 5.338 . 0 0 "[ . 1 . 2]" 1
616 1 74 GLU QG 1 79 ASN H 1.800 . 6.000 3.964 2.103 5.241 . 0 0 "[ . 1 . 2]" 1
617 1 75 ASP H 1 79 ASN QB 1.800 . 6.000 3.754 2.162 5.315 . 0 0 "[ . 1 . 2]" 1
618 1 75 ASP H 1 81 LEU QD 1.800 . 7.400 2.714 1.955 3.671 . 0 0 "[ . 1 . 2]" 1
619 1 75 ASP H 1 81 LEU HG 1.800 . 5.000 4.525 3.353 4.982 . 0 0 "[ . 1 . 2]" 1
620 1 76 GLU H 1 81 LEU QD 1.800 . 7.400 4.808 4.333 5.459 . 0 0 "[ . 1 . 2]" 1
621 1 77 ASP H 1 79 ASN QB 1.800 . 6.000 4.741 3.413 5.316 . 0 0 "[ . 1 . 2]" 1
622 1 90 SER HG 1 93 ASP H 1.800 . 5.000 4.697 4.200 5.003 0.003 6 0 "[ . 1 . 2]" 1
623 1 91 ALA H 1 96 LEU QD 1.800 . 7.400 3.133 2.440 4.908 . 0 0 "[ . 1 . 2]" 1
624 1 93 ASP QB 1 95 LYS H 1.800 . 6.000 3.513 2.893 4.093 . 0 0 "[ . 1 . 2]" 1
625 1 93 ASP QB 1 96 LEU H 1.800 . 5.000 2.393 2.094 2.983 . 0 0 "[ . 1 . 2]" 1
626 1 93 ASP QB 1 97 ILE H 1.800 . 6.000 3.738 3.202 4.183 . 0 0 "[ . 1 . 2]" 1
627 1 93 ASP H 1 96 LEU QD 1.800 . 7.400 4.168 3.283 5.101 . 0 0 "[ . 1 . 2]" 1
628 1 93 ASP H 1 97 ILE MD 1.800 . 6.000 2.712 1.949 3.334 . 0 0 "[ . 1 . 2]" 1
629 1 94 ALA H 1 96 LEU QB 1.800 . 6.000 5.052 4.528 5.405 . 0 0 "[ . 1 . 2]" 1
630 1 97 ILE MG 1 100 GLN H 1.800 . 6.000 4.716 4.423 4.900 . 0 0 "[ . 1 . 2]" 1
631 1 97 ILE MG 1 101 VAL H 1.800 . 6.000 3.608 3.275 4.195 . 0 0 "[ . 1 . 2]" 1
632 1 98 ASP H 1 101 VAL QG 1.800 . 7.400 4.693 4.439 5.021 . 0 0 "[ . 1 . 2]" 1
633 1 101 VAL QG 1 105 VAL H 1.800 . 7.400 3.769 3.248 4.060 . 0 0 "[ . 1 . 2]" 1
634 1 101 VAL QG 1 118 TRP H 1.800 . 7.400 5.368 5.129 5.492 . 0 0 "[ . 1 . 2]" 1
635 1 102 GLU H 1 105 VAL HB 1.800 . 5.000 4.866 4.642 5.018 0.018 6 0 "[ . 1 . 2]" 1
636 1 102 GLU H 1 105 VAL QG 1.800 . 7.400 4.261 3.692 4.760 . 0 0 "[ . 1 . 2]" 1
637 1 104 LEU QD 1 107 LEU H 1.800 . 7.400 5.025 4.583 5.367 . 0 0 "[ . 1 . 2]" 1
638 1 104 LEU QD 1 108 ALA H 1.800 . 7.400 4.582 4.080 4.978 . 0 0 "[ . 1 . 2]" 1
639 1 104 LEU H 1 115 TYR QD 1.800 . 7.000 5.929 4.749 6.266 . 0 0 "[ . 1 . 2]" 1
640 1 105 VAL H 1 115 TYR QD 1.800 . 7.000 4.685 2.773 5.161 . 0 0 "[ . 1 . 2]" 1
641 1 107 LEU QD 1 110 LYS H 1.800 . 7.400 4.624 4.253 4.887 . 0 0 "[ . 1 . 2]" 1
642 1 108 ALA MB 1 113 ILE H 1.800 . 5.000 3.626 3.210 3.906 . 0 0 "[ . 1 . 2]" 1
643 1 111 PHE H 1 113 ILE MD 1.800 . 6.000 4.798 4.591 4.906 . 0 0 "[ . 1 . 2]" 1
644 1 111 PHE H 1 113 ILE QG 1.800 . 6.000 4.009 3.867 4.413 . 0 0 "[ . 1 . 2]" 1
645 1 115 TYR QD 1 118 TRP H 1.800 . 7.000 6.067 5.691 6.449 . 0 0 "[ . 1 . 2]" 1
646 1 122 TYR H 1 125 LEU QD 1.800 . 7.400 4.094 2.509 5.297 . 0 0 "[ . 1 . 2]" 1
647 1 10 VAL HA 1 109 GLU QG 1.800 . 6.000 4.876 3.672 5.347 . 0 0 "[ . 1 . 2]" 1
648 1 10 VAL HA 1 12 GLU QG 1.800 . 6.000 4.994 3.978 5.411 . 0 0 "[ . 1 . 2]" 1
649 1 10 VAL QG 1 106 ASN HA 1.800 . 7.400 3.899 3.038 4.828 . 0 0 "[ . 1 . 2]" 1
650 1 14 ILE HA 1 105 VAL QG 1.800 . 7.400 3.965 3.476 4.316 . 0 0 "[ . 1 . 2]" 1
651 1 14 ILE MD 1 102 GLU HA 1.800 . 5.000 3.573 2.725 3.997 . 0 0 "[ . 1 . 2]" 1
652 1 14 ILE MG 1 102 GLU HA 1.800 . 6.000 4.567 3.875 4.837 . 0 0 "[ . 1 . 2]" 1
653 1 18 LYS HA 1 21 THR MG 1.800 . 6.000 4.382 3.994 4.900 . 0 0 "[ . 1 . 2]" 1
654 1 19 GLU HA 1 22 ARG HE 1.800 . 5.000 3.831 2.394 4.990 . 0 0 "[ . 1 . 2]" 1
655 1 20 GLU HA 1 23 ASP QB 1.800 . 6.000 2.813 2.396 3.410 . 0 0 "[ . 1 . 2]" 1
656 1 21 THR HA 1 118 TRP HE1 1.800 . 5.000 4.051 3.750 4.292 . 0 0 "[ . 1 . 2]" 1
657 1 21 THR HA 1 25 ILE MD 1.800 . 6.000 3.826 3.206 4.270 . 0 0 "[ . 1 . 2]" 1
658 1 21 THR HA 1 97 ILE MG 1.800 . 6.000 4.692 4.415 4.873 . 0 0 "[ . 1 . 2]" 1
659 1 21 THR MG 1 94 ALA HA 1.800 . 6.000 2.613 2.151 3.134 . 0 0 "[ . 1 . 2]" 1
660 1 22 ARG HA 1 94 ALA MB 1.800 . 6.000 3.184 2.528 3.616 . 0 0 "[ . 1 . 2]" 1
661 1 24 ILE HA 1 28 LEU H 1.800 . 5.000 4.022 3.762 4.573 . 0 0 "[ . 1 . 2]" 1
662 1 25 ILE HA 1 92 LEU QD 1.800 . 7.400 2.846 2.448 3.364 . 0 0 "[ . 1 . 2]" 1
663 1 25 ILE MD 1 92 LEU HA 1.800 . 6.000 4.330 3.689 4.818 . 0 0 "[ . 1 . 2]" 1
664 1 25 ILE MD 1 93 ASP HA 1.800 . 6.000 4.651 4.196 4.988 . 0 0 "[ . 1 . 2]" 1
665 1 25 ILE MD 1 94 ALA HA 1.800 . 6.000 3.592 3.091 4.165 . 0 0 "[ . 1 . 2]" 1
666 1 26 GLN HA 1 29 LEU QD 1.800 . 7.400 3.629 2.430 4.653 . 0 0 "[ . 1 . 2]" 1
667 1 29 LEU QD 1 35 PRO HA 1.800 . 7.400 4.956 4.330 5.410 . 0 0 "[ . 1 . 2]" 1
668 1 35 PRO HA 1 92 LEU QD 1.800 . 7.400 3.796 3.239 4.395 . 0 0 "[ . 1 . 2]" 1
669 1 38 LEU HA 1 91 ALA MB 1.800 . 6.000 3.913 3.567 4.299 . 0 0 "[ . 1 . 2]" 1
670 1 38 LEU QD 1 89 GLN HA 1.800 . 7.400 3.834 3.029 4.623 . 0 0 "[ . 1 . 2]" 1
671 1 38 LEU QD 1 90 SER HA 1.800 . 7.400 3.081 2.239 3.899 . 0 0 "[ . 1 . 2]" 1
672 1 39 TYR HA 1 41 ILE MD 1.800 . 6.000 4.589 4.178 4.870 . 0 0 "[ . 1 . 2]" 1
673 1 41 ILE HA 1 120 THR MG 1.800 . 6.000 4.468 3.869 4.991 . 0 0 "[ . 1 . 2]" 1
674 1 41 ILE MD 1 120 THR HA 1.800 . 7.000 4.179 3.276 5.433 . 0 0 "[ . 1 . 2]" 1
675 1 41 ILE MG 1 118 TRP HA 1.800 . 6.000 4.597 4.248 4.876 . 0 0 "[ . 1 . 2]" 1
676 1 42 GLU HA 1 87 THR MG 1.800 . 5.000 2.844 2.541 3.229 . 0 0 "[ . 1 . 2]" 1
677 1 45 LEU QD 1 108 ALA HA 1.800 . 7.400 3.968 3.393 4.508 . 0 0 "[ . 1 . 2]" 1
678 1 45 LEU QD 1 115 TYR HA 1.800 . 7.400 3.065 2.398 3.889 . 0 0 "[ . 1 . 2]" 1
679 1 45 LEU HG 1 115 TYR HA 1.800 . 5.000 2.965 2.247 3.813 . 0 0 "[ . 1 . 2]" 1
680 1 46 PHE HA 1 53 LEU QD 1.800 . 8.400 3.678 3.181 4.293 . 0 0 "[ . 1 . 2]" 1
681 1 46 PHE HA 1 53 LEU HG 1.800 . 5.000 4.814 4.418 4.993 . 0 0 "[ . 1 . 2]" 1
682 1 46 PHE HA 1 83 CYS QB 1.800 . 6.000 3.683 3.270 4.038 . 0 0 "[ . 1 . 2]" 1
683 1 47 ALA HA 1 113 ILE MG 1.800 . 6.000 2.731 2.148 3.244 . 0 0 "[ . 1 . 2]" 1
684 1 47 ALA HA 1 114 ILE MG 1.800 . 6.000 4.139 3.861 4.417 . 0 0 "[ . 1 . 2]" 1
685 1 47 ALA MB 1 113 ILE HA 1.800 . 5.000 3.705 3.387 4.026 . 0 0 "[ . 1 . 2]" 1
686 1 47 ALA MB 1 53 LEU HA 1.800 . 6.000 2.816 2.429 3.146 . 0 0 "[ . 1 . 2]" 1
687 1 48 GLU HA 1 81 LEU QD 1.800 . 7.400 4.525 3.030 5.401 . 0 0 "[ . 1 . 2]" 1
688 1 50 PHE HA 1 82 LEU QD 1.800 . 7.400 3.040 2.373 3.769 . 0 0 "[ . 1 . 2]" 1
689 1 52 LYS HA 1 113 ILE MG 1.800 . 7.000 5.259 4.897 5.814 . 0 0 "[ . 1 . 2]" 1
690 1 52 LYS QD 1 111 PHE HA 1.800 . 6.000 3.904 2.680 5.298 . 0 0 "[ . 1 . 2]" 1
691 1 53 LEU HA 1 113 ILE MD 1.800 . 6.000 4.252 3.432 4.692 . 0 0 "[ . 1 . 2]" 1
692 1 53 LEU HA 1 113 ILE MG 1.800 . 6.000 3.248 2.673 3.562 . 0 0 "[ . 1 . 2]" 1
693 1 53 LEU QD 1 83 CYS HA 1.800 . 7.400 4.020 3.636 4.665 . 0 0 "[ . 1 . 2]" 1
694 1 56 ALA HA 1 107 LEU MD1 1.800 . 5.000 3.591 3.130 3.903 . 0 0 "[ . 1 . 2]" 1
695 1 56 ALA HA 1 107 LEU MD2 1.800 . 5.000 3.095 2.371 3.732 . 0 0 "[ . 1 . 2]" 1
696 1 56 ALA MB 1 111 PHE HA 1.800 . 7.000 5.040 4.586 5.384 . 0 0 "[ . 1 . 2]" 1
697 1 57 ALA HA 1 67 VAL MG1 1.800 . 6.000 4.714 4.415 4.941 . 0 0 "[ . 1 . 2]" 1
698 1 57 ALA HA 1 67 VAL MG2 1.800 . 6.000 3.307 2.722 3.877 . 0 0 "[ . 1 . 2]" 1
699 1 60 ALA HA 1 107 LEU QD 1.800 . 7.400 3.503 2.866 3.939 . 0 0 "[ . 1 . 2]" 1
700 1 60 ALA HA 1 63 MET ME 1.800 . 6.000 2.510 2.118 3.266 . 0 0 "[ . 1 . 2]" 1
701 1 60 ALA MB 1 61 PHE HA 1.800 . 6.000 3.746 3.629 3.868 . 0 0 "[ . 1 . 2]" 1
702 1 61 PHE HA 1 67 VAL QG 1.800 . 7.400 3.884 3.177 4.478 . 0 0 "[ . 1 . 2]" 1
703 1 63 MET ME 1 104 LEU HA 1.800 . 6.000 4.196 3.007 4.745 . 0 0 "[ . 1 . 2]" 1
704 1 64 GLY QA 1 88 MET ME 1.800 . 7.000 3.169 2.204 3.723 . 0 0 "[ . 1 . 2]" 1
705 1 65 PHE HA 1 86 ALA MB 1.800 . 6.000 4.242 3.750 4.529 . 0 0 "[ . 1 . 2]" 1
706 1 65 PHE HA 1 88 MET QB 1.800 . 6.000 3.117 2.409 3.682 . 0 0 "[ . 1 . 2]" 1
707 1 65 PHE HA 1 88 MET ME 1.800 . 6.000 3.696 3.006 4.482 . 0 0 "[ . 1 . 2]" 1
708 1 67 VAL MG1 1 86 ALA HA 1.800 . 6.000 4.860 4.747 4.983 . 0 0 "[ . 1 . 2]" 1
709 1 67 VAL MG2 1 86 ALA HA 1.800 . 6.000 3.997 3.761 4.344 . 0 0 "[ . 1 . 2]" 1
710 1 69 GLU HA 1 70 ALA MB 1.800 . 6.000 3.996 3.951 4.023 . 0 0 "[ . 1 . 2]" 1
711 1 70 ALA MB 1 71 GLU HA 1.800 . 6.000 3.953 3.835 4.080 . 0 0 "[ . 1 . 2]" 1
712 1 70 ALA MB 1 83 CYS HA 1.800 . 6.000 3.428 3.233 3.588 . 0 0 "[ . 1 . 2]" 1
713 1 70 ALA MB 1 84 PHE HA 1.800 . 6.000 2.222 2.143 2.480 . 0 0 "[ . 1 . 2]" 1
714 1 72 GLU HA 1 73 THR MG 1.800 . 6.000 3.836 3.243 4.961 . 0 0 "[ . 1 . 2]" 1
715 1 72 GLU HA 1 82 LEU QD 1.800 . 7.400 3.881 2.994 4.460 . 0 0 "[ . 1 . 2]" 1
716 1 73 THR MG 1 74 GLU HA 1.800 . 6.000 3.657 3.221 4.849 . 0 0 "[ . 1 . 2]" 1
717 1 74 GLU HA 1 81 LEU QD 1.800 . 7.400 2.644 2.165 3.625 . 0 0 "[ . 1 . 2]" 1
718 1 75 ASP HA 1 81 LEU QD 1.800 . 7.400 3.826 2.499 4.836 . 0 0 "[ . 1 . 2]" 1
719 1 85 ASP HA 1 86 ALA MB 1.800 . 7.000 3.834 3.756 3.903 . 0 0 "[ . 1 . 2]" 1
720 1 88 MET ME 1 100 GLN HA 1.800 . 6.000 4.734 4.321 4.906 . 0 0 "[ . 1 . 2]" 1
721 1 90 SER HA 1 91 ALA MB 1.800 . 6.000 4.132 3.994 4.256 . 0 0 "[ . 1 . 2]" 1
722 1 92 LEU HA 1 97 ILE MD 1.800 . 6.000 3.456 2.842 4.022 . 0 0 "[ . 1 . 2]" 1
723 1 97 ILE MG 1 98 ASP HA 1.800 . 6.000 3.480 3.269 3.885 . 0 0 "[ . 1 . 2]" 1
724 1 100 GLN HA 1 103 LYS QD 1.800 . 6.000 3.883 2.373 5.319 . 0 0 "[ . 1 . 2]" 1
725 1 101 VAL HA 1 105 VAL QG 1.800 . 7.400 3.864 3.350 4.398 . 0 0 "[ . 1 . 2]" 1
726 1 101 VAL MG1 1 102 GLU HA 1.800 . 6.000 3.330 2.876 3.700 . 0 0 "[ . 1 . 2]" 1
727 1 102 GLU HA 1 106 ASN QD 1.800 . 6.000 3.873 2.937 5.031 . 0 0 "[ . 1 . 2]" 1
728 1 103 LYS HA 1 106 ASN QD 1.800 . 6.000 3.975 2.653 5.364 . 0 0 "[ . 1 . 2]" 1
729 1 108 ALA HA 1 113 ILE HB 1.800 . 5.000 4.717 4.492 5.012 0.012 9 0 "[ . 1 . 2]" 1
730 1 108 ALA HA 1 113 ILE MD 1.800 . 6.000 2.350 2.143 2.591 . 0 0 "[ . 1 . 2]" 1
731 1 108 ALA HA 1 113 ILE MG 1.800 . 6.000 4.080 3.738 4.262 . 0 0 "[ . 1 . 2]" 1
732 1 108 ALA MB 1 114 ILE HA 1.800 . 6.000 3.448 2.820 3.806 . 0 0 "[ . 1 . 2]" 1
733 1 108 ALA MB 1 115 TYR HA 1.800 . 5.000 4.072 3.750 4.223 . 0 0 "[ . 1 . 2]" 1
734 1 111 PHE HA 1 113 ILE MG 1.800 . 7.000 5.492 5.202 5.650 . 0 0 "[ . 1 . 2]" 1
735 1 113 ILE HA 1 114 ILE MG 1.800 . 6.000 3.483 3.303 3.899 . 0 0 "[ . 1 . 2]" 1
736 1 114 ILE MD 1 116 ASP HA 1.800 . 6.000 4.478 3.870 4.930 . 0 0 "[ . 1 . 2]" 1
737 1 9 SER QB 1 13 LEU HG 1.800 . 5.000 4.255 3.690 4.518 . 0 0 "[ . 1 . 2]" 1
738 1 10 VAL QG 1 14 ILE MD 1.800 . 8.400 2.687 2.058 3.783 . 0 0 "[ . 1 . 2]" 1
739 1 10 VAL QG 1 106 ASN QD 1.800 . 8.400 4.023 2.764 5.020 . 0 0 "[ . 1 . 2]" 1
740 1 10 VAL QG 1 109 GLU QB 1.800 . 8.400 3.345 2.142 4.297 . 0 0 "[ . 1 . 2]" 1
741 1 10 VAL QG 1 109 GLU QG 1.800 . 7.400 2.524 1.942 3.483 . 0 0 "[ . 1 . 2]" 1
742 1 13 LEU QD 1 16 ILE HB 1.800 . 7.400 4.190 3.866 4.758 . 0 0 "[ . 1 . 2]" 1
743 1 13 LEU QD 1 16 ILE MD 1.800 . 8.400 3.200 2.505 4.722 . 0 0 "[ . 1 . 2]" 1
744 1 13 LEU QD 1 115 TYR QD 1.800 . 9.400 4.492 3.851 5.450 . 0 0 "[ . 1 . 2]" 1
745 1 13 LEU QD 1 115 TYR QE 1.800 . 9.400 5.283 4.457 6.059 . 0 0 "[ . 1 . 2]" 1
746 1 13 LEU HG 1 105 VAL QG 1.800 . 7.400 5.031 4.376 5.515 . 0 0 "[ . 1 . 2]" 1
747 1 14 ILE MD 1 18 LYS QE 1.800 . 7.000 4.762 4.390 5.094 . 0 0 "[ . 1 . 2]" 1
748 1 14 ILE MD 1 102 GLU QB 1.800 . 7.000 3.945 2.838 4.790 . 0 0 "[ . 1 . 2]" 1
749 1 14 ILE MD 1 102 GLU QG 1.800 . 6.000 2.707 2.150 3.454 . 0 0 "[ . 1 . 2]" 1
750 1 14 ILE MD 1 105 VAL HB 1.800 . 6.000 3.986 3.547 4.459 . 0 0 "[ . 1 . 2]" 1
751 1 14 ILE MD 1 105 VAL QG 1.800 . 8.400 2.819 2.240 3.416 . 0 0 "[ . 1 . 2]" 1
752 1 14 ILE MD 1 106 ASN QD 1.800 . 7.000 3.743 2.507 4.594 . 0 0 "[ . 1 . 2]" 1
753 1 14 ILE QG 1 105 VAL QG 1.800 . 8.400 2.597 2.093 3.041 . 0 0 "[ . 1 . 2]" 1
754 1 14 ILE MG 1 18 LYS QD 1.800 . 7.000 3.376 2.109 4.281 . 0 0 "[ . 1 . 2]" 1
755 1 14 ILE MG 1 18 LYS QE 1.800 . 7.000 2.381 2.010 3.154 . 0 0 "[ . 1 . 2]" 1
756 1 14 ILE MG 1 18 LYS QG 1.800 . 7.000 3.348 2.418 4.454 . 0 0 "[ . 1 . 2]" 1
757 1 14 ILE MG 1 102 GLU QG 1.800 . 7.000 3.780 2.409 4.843 . 0 0 "[ . 1 . 2]" 1
758 1 14 ILE MG 1 105 VAL QG 1.800 . 8.400 4.307 3.743 4.742 . 0 0 "[ . 1 . 2]" 1
759 1 15 GLU QB 1 16 ILE MG 1.800 . 7.000 4.982 4.808 5.167 . 0 0 "[ . 1 . 2]" 1
760 1 17 GLN QB 1 101 VAL MG1 1.800 . 7.000 3.178 2.605 3.871 . 0 0 "[ . 1 . 2]" 1
761 1 17 GLN QB 1 101 VAL MG2 1.800 . 7.000 4.055 3.331 4.937 . 0 0 "[ . 1 . 2]" 1
762 1 17 GLN QG 1 101 VAL MG1 1.800 . 7.000 2.781 1.959 3.865 . 0 0 "[ . 1 . 2]" 1
763 1 17 GLN QG 1 101 VAL MG2 1.800 . 7.000 3.669 2.519 4.896 . 0 0 "[ . 1 . 2]" 1
764 1 20 GLU QB 1 24 ILE MD 1.800 . 7.000 3.647 3.195 4.484 . 0 0 "[ . 1 . 2]" 1
765 1 20 GLU QG 1 24 ILE MD 1.800 . 7.000 3.491 2.267 5.003 . 0 0 "[ . 1 . 2]" 1
766 1 21 THR HA 1 118 TRP HH2 1.800 . 5.000 3.962 3.616 4.555 . 0 0 "[ . 1 . 2]" 1
767 1 21 THR HA 1 118 TRP HZ2 1.800 . 4.000 2.257 2.194 2.523 . 0 0 "[ . 1 . 2]" 1
768 1 21 THR HB 1 25 ILE MD 1.800 . 6.000 4.723 4.164 4.949 . 0 0 "[ . 1 . 2]" 1
769 1 21 THR MG 1 24 ILE MD 1.800 . 7.000 3.612 3.233 4.184 . 0 0 "[ . 1 . 2]" 1
770 1 21 THR MG 1 24 ILE MG 1.800 . 7.000 4.170 3.579 4.571 . 0 0 "[ . 1 . 2]" 1
771 1 21 THR MG 1 25 ILE MD 1.800 . 6.000 2.394 1.963 2.743 . 0 0 "[ . 1 . 2]" 1
772 1 21 THR MG 1 25 ILE MG 1.800 . 7.000 4.183 3.959 4.571 . 0 0 "[ . 1 . 2]" 1
773 1 21 THR MG 1 94 ALA MB 1.800 . 7.000 2.800 2.204 3.450 . 0 0 "[ . 1 . 2]" 1
774 1 21 THR MG 1 97 ILE MD 1.800 . 7.000 2.245 1.923 2.711 . 0 0 "[ . 1 . 2]" 1
775 1 21 THR MG 1 97 ILE MG 1.800 . 6.000 2.258 1.945 2.644 . 0 0 "[ . 1 . 2]" 1
776 1 21 THR MG 1 118 TRP HH2 1.800 . 7.000 2.821 2.240 3.477 . 0 0 "[ . 1 . 2]" 1
777 1 21 THR MG 1 118 TRP HZ2 1.800 . 6.000 2.478 2.161 3.043 . 0 0 "[ . 1 . 2]" 1
778 1 24 ILE MD 1 118 TRP HZ2 1.800 . 7.000 2.224 2.026 2.624 . 0 0 "[ . 1 . 2]" 1
779 1 24 ILE MG 1 28 LEU QD 1.800 . 8.400 2.239 1.880 2.854 . 0 0 "[ . 1 . 2]" 1
780 1 24 ILE MG 1 28 LEU HG 1.800 . 6.000 3.213 2.203 4.774 . 0 0 "[ . 1 . 2]" 1
781 1 24 ILE MG 1 118 TRP HH2 1.800 . 6.000 3.355 2.925 3.870 . 0 0 "[ . 1 . 2]" 1
782 1 24 ILE MG 1 118 TRP HZ2 1.800 . 6.000 3.949 3.648 4.300 . 0 0 "[ . 1 . 2]" 1
783 1 24 ILE MG 1 118 TRP HZ3 1.800 . 7.000 4.870 4.530 5.565 . 0 0 "[ . 1 . 2]" 1
784 1 24 ILE MG 1 120 THR MG 1.800 . 7.000 2.800 2.363 3.418 . 0 0 "[ . 1 . 2]" 1
785 1 25 ILE MD 1 39 TYR QE 1.800 . 8.000 5.760 5.341 6.086 . 0 0 "[ . 1 . 2]" 1
786 1 25 ILE MD 1 92 LEU QD 1.800 . 8.400 2.375 1.929 2.753 . 0 0 "[ . 1 . 2]" 1
787 1 25 ILE MD 1 92 LEU HG 1.800 . 6.000 3.008 2.170 4.044 . 0 0 "[ . 1 . 2]" 1
788 1 25 ILE MD 1 94 ALA MB 1.800 . 7.000 3.824 3.453 4.328 . 0 0 "[ . 1 . 2]" 1
789 1 25 ILE MD 1 97 ILE MD 1.800 . 7.000 2.014 1.871 2.293 . 0 0 "[ . 1 . 2]" 1
790 1 25 ILE MD 1 97 ILE MG 1.800 . 7.000 3.877 3.482 4.205 . 0 0 "[ . 1 . 2]" 1
791 1 25 ILE MD 1 118 TRP HH2 1.800 . 6.000 2.827 2.354 3.292 . 0 0 "[ . 1 . 2]" 1
792 1 25 ILE MD 1 118 TRP HZ2 1.800 . 7.000 3.979 3.511 4.513 . 0 0 "[ . 1 . 2]" 1
793 1 25 ILE QG 1 92 LEU QD 1.800 . 8.400 3.529 1.998 4.245 . 0 0 "[ . 1 . 2]" 1
794 1 25 ILE MG 1 28 LEU QD 1.800 . 8.400 3.970 3.384 4.662 . 0 0 "[ . 1 . 2]" 1
795 1 25 ILE MG 1 29 LEU QD 1.800 . 8.400 2.520 1.993 3.413 . 0 0 "[ . 1 . 2]" 1
796 1 25 ILE MG 1 29 LEU HG 1.800 . 6.000 3.758 2.535 4.833 . 0 0 "[ . 1 . 2]" 1
797 1 25 ILE MG 1 92 LEU QD 1.800 . 8.400 2.512 1.949 3.251 . 0 0 "[ . 1 . 2]" 1
798 1 25 ILE MG 1 92 LEU HG 1.800 . 6.000 3.153 2.226 4.818 . 0 0 "[ . 1 . 2]" 1
799 1 25 ILE MG 1 94 ALA MB 1.800 . 7.000 3.107 2.370 3.680 . 0 0 "[ . 1 . 2]" 1
800 1 25 ILE MG 1 97 ILE MD 1.800 . 7.000 3.838 3.321 4.718 . 0 0 "[ . 1 . 2]" 1
801 1 25 ILE H 1 118 TRP HH2 1.800 . 5.000 4.786 4.469 4.990 . 0 0 "[ . 1 . 2]" 1
802 1 27 ALA MB 1 30 GLU QB 1.800 . 7.000 4.042 3.724 4.367 . 0 0 "[ . 1 . 2]" 1
803 1 28 LEU QD 1 122 TYR QE 1.800 . 9.400 3.539 2.211 5.407 . 0 0 "[ . 1 . 2]" 1
804 1 28 LEU MD1 1 92 LEU QD 1.800 . 8.400 2.335 1.889 3.904 . 0 0 "[ . 1 . 2]" 1
805 1 28 LEU MD1 1 120 THR MG 1.800 . 8.400 2.641 2.236 3.913 . 0 0 "[ . 1 . 2]" 1
806 1 29 LEU QD 1 35 PRO QB 1.800 . 8.400 3.978 3.273 4.580 . 0 0 "[ . 1 . 2]" 1
807 1 29 LEU HG 1 92 LEU QD 1.800 . 7.400 3.747 2.426 4.682 . 0 0 "[ . 1 . 2]" 1
808 1 34 ASP QB 1 37 ALA MB 1.800 . 7.000 2.865 1.923 4.527 . 0 0 "[ . 1 . 2]" 1
809 1 37 ALA MB 1 39 TYR QD 1.800 . 8.000 4.086 3.297 4.827 . 0 0 "[ . 1 . 2]" 1
810 1 37 ALA MB 1 39 TYR QE 1.800 . 8.000 3.857 2.327 4.966 . 0 0 "[ . 1 . 2]" 1
811 1 37 ALA MB 1 123 GLU QB 1.800 . 7.000 4.073 2.971 5.197 . 0 0 "[ . 1 . 2]" 1
812 1 37 ALA MB 1 123 GLU QG 1.800 . 7.000 3.981 2.180 5.074 . 0 0 "[ . 1 . 2]" 1
813 1 38 LEU QD 1 89 GLN QB 1.800 . 8.400 2.553 1.967 3.756 . 0 0 "[ . 1 . 2]" 1
814 1 38 LEU QD 1 89 GLN QE 1.800 . 8.400 4.755 3.422 5.312 . 0 0 "[ . 1 . 2]" 1
815 1 38 LEU QD 1 89 GLN QG 1.800 . 8.400 3.573 2.387 4.867 . 0 0 "[ . 1 . 2]" 1
816 1 38 LEU QD 1 91 ALA MB 1.800 . 8.400 3.434 2.792 4.122 . 0 0 "[ . 1 . 2]" 1
817 1 39 TYR QB 1 41 ILE MD 1.800 . 7.000 2.547 2.135 2.992 . 0 0 "[ . 1 . 2]" 1
818 1 39 TYR QD 1 92 LEU QD 1.800 . 9.400 2.773 2.391 3.168 . 0 0 "[ . 1 . 2]" 1
819 1 39 TYR QD 1 120 THR MG 1.800 . 8.000 3.585 2.345 4.338 . 0 0 "[ . 1 . 2]" 1
820 1 39 TYR QD 1 121 TYR H 1.800 . 7.400 4.105 3.079 5.205 . 0 0 "[ . 1 . 2]" 1
821 1 39 TYR QE 1 92 LEU QD 1.800 . 9.400 2.873 2.462 3.177 . 0 0 "[ . 1 . 2]" 1
822 1 39 TYR QE 1 120 THR MG 1.800 . 8.000 3.620 2.187 4.658 . 0 0 "[ . 1 . 2]" 1
823 1 39 TYR QE 1 123 GLU H 1.800 . 7.400 3.679 3.067 4.406 . 0 0 "[ . 1 . 2]" 1
824 1 40 GLU QB 1 87 THR MG 1.800 . 7.000 3.446 2.517 4.481 . 0 0 "[ . 1 . 2]" 1
825 1 40 GLU QG 1 87 THR MG 1.800 . 7.000 3.816 2.335 5.054 . 0 0 "[ . 1 . 2]" 1
826 1 41 ILE MD 1 90 SER QB 1.800 . 7.000 3.546 2.608 4.507 . 0 0 "[ . 1 . 2]" 1
827 1 41 ILE MD 1 92 LEU QD 1.800 . 8.400 3.592 2.788 4.544 . 0 0 "[ . 1 . 2]" 1
828 1 41 ILE MD 1 97 ILE MD 1.800 . 7.000 3.401 2.595 4.154 . 0 0 "[ . 1 . 2]" 1
829 1 41 ILE MD 1 97 ILE QG 1.800 . 7.000 3.099 2.276 3.624 . 0 0 "[ . 1 . 2]" 1
830 1 41 ILE MD 1 118 TRP HZ3 1.800 . 6.000 3.553 2.590 4.745 . 0 0 "[ . 1 . 2]" 1
831 1 41 ILE MD 1 120 THR HB 1.800 . 6.000 3.133 2.299 4.174 . 0 0 "[ . 1 . 2]" 1
832 1 41 ILE MD 1 120 THR MG 1.800 . 7.000 4.062 3.305 4.797 . 0 0 "[ . 1 . 2]" 1
833 1 41 ILE MG 1 97 ILE MD 1.800 . 7.000 3.944 3.198 4.581 . 0 0 "[ . 1 . 2]" 1
834 1 41 ILE MG 1 101 VAL MG2 1.800 . 7.000 4.009 3.602 4.461 . 0 0 "[ . 1 . 2]" 1
835 1 41 ILE MG 1 118 TRP QB 1.800 . 7.000 3.497 3.158 3.883 . 0 0 "[ . 1 . 2]" 1
836 1 41 ILE MG 1 120 THR MG 1.800 . 7.000 4.242 3.694 4.654 . 0 0 "[ . 1 . 2]" 1
837 1 42 GLU QB 1 87 THR MG 1.800 . 6.000 2.852 2.183 3.886 . 0 0 "[ . 1 . 2]" 1
838 1 42 GLU H 1 118 TRP HE3 1.800 . 6.000 3.638 2.972 4.332 . 0 0 "[ . 1 . 2]" 1
839 1 43 HIS QB 1 86 ALA MB 1.800 . 7.000 2.515 2.124 2.925 . 0 0 "[ . 1 . 2]" 1
840 1 43 HIS QB 1 104 LEU QD 1.800 . 8.400 2.490 2.011 2.803 . 0 0 "[ . 1 . 2]" 1
841 1 43 HIS HD2 1 86 ALA MB 1.800 . 6.000 3.280 2.711 4.798 . 0 0 "[ . 1 . 2]" 1
842 1 43 HIS HD2 1 104 LEU MD1 1.800 . 6.000 3.322 2.116 4.200 . 0 0 "[ . 1 . 2]" 1
843 1 43 HIS HE1 1 101 VAL MG2 1.800 . 6.000 2.640 2.047 3.436 . 0 0 "[ . 1 . 2]" 1
844 1 44 HIS HD2 1 86 ALA H 1.800 . 6.000 4.704 3.209 6.000 . 0 0 "[ . 1 . 2]" 1
845 1 45 LEU QD 1 56 ALA MB 1.800 . 8.400 4.043 3.693 4.391 . 0 0 "[ . 1 . 2]" 1
846 1 45 LEU QD 1 60 ALA MB 1.800 . 8.400 3.854 3.449 4.313 . 0 0 "[ . 1 . 2]" 1
847 1 45 LEU QD 1 84 PHE QE 1.800 . 9.400 2.648 2.217 3.194 . 0 0 "[ . 1 . 2]" 1
848 1 45 LEU QD 1 84 PHE HZ 1.800 . 7.400 3.259 2.728 3.679 . 0 0 "[ . 1 . 2]" 1
849 1 45 LEU QD 1 86 ALA MB 1.800 . 8.400 2.708 2.330 3.187 . 0 0 "[ . 1 . 2]" 1
850 1 45 LEU QD 1 104 LEU QD 1.800 . 9.800 2.390 1.912 2.742 . 0 0 "[ . 1 . 2]" 1
851 1 45 LEU QD 1 108 ALA MB 1.800 . 8.400 2.669 2.234 3.307 . 0 0 "[ . 1 . 2]" 1
852 1 45 LEU QD 1 113 ILE MD 1.800 . 8.400 2.313 1.925 2.798 . 0 0 "[ . 1 . 2]" 1
853 1 45 LEU QD 1 113 ILE QG 1.800 . 8.400 3.240 2.707 4.067 . 0 0 "[ . 1 . 2]" 1
854 1 45 LEU QD 1 115 TYR QD 1.800 . 9.400 2.616 2.122 3.473 . 0 0 "[ . 1 . 2]" 1
855 1 45 LEU QD 1 115 TYR QE 1.800 . 7.400 3.793 3.227 4.353 . 0 0 "[ . 1 . 2]" 1
856 1 45 LEU HG 1 115 TYR QE 1.800 . 7.000 4.576 3.752 5.121 . 0 0 "[ . 1 . 2]" 1
857 1 46 PHE QD 1 73 THR MG 1.800 . 8.000 4.925 3.919 5.333 . 0 0 "[ . 1 . 2]" 1
858 1 46 PHE QD 1 83 CYS QB 1.800 . 6.000 2.793 2.096 3.719 . 0 0 "[ . 1 . 2]" 1
859 1 46 PHE QD 1 84 PHE H 1.800 . 7.000 4.433 3.942 5.349 . 0 0 "[ . 1 . 2]" 1
860 1 46 PHE QD 1 114 ILE MD 1.800 . 8.000 4.892 3.538 6.048 . 0 0 "[ . 1 . 2]" 1
861 1 46 PHE QD 1 114 ILE MG 1.800 . 8.000 2.341 1.971 3.283 . 0 0 "[ . 1 . 2]" 1
862 1 46 PHE QE 1 73 THR MG 1.800 . 8.000 5.854 5.515 6.078 . 0 0 "[ . 1 . 2]" 1
863 1 46 PHE QE 1 114 ILE MD 1.800 . 8.000 3.661 2.264 4.699 . 0 0 "[ . 1 . 2]" 1
864 1 46 PHE QE 1 116 ASP H 1.800 . 7.400 3.580 3.098 3.912 . 0 0 "[ . 1 . 2]" 1
865 1 46 PHE HZ 1 114 ILE MD 1.800 . 6.000 4.464 2.806 4.915 . 0 0 "[ . 1 . 2]" 1
866 1 46 PHE HZ 1 114 ILE MG 1.800 . 6.000 3.880 2.225 4.539 . 0 0 "[ . 1 . 2]" 1
867 1 47 ALA MB 1 53 LEU QD 1.800 . 8.400 2.338 1.921 2.744 . 0 0 "[ . 1 . 2]" 1
868 1 47 ALA MB 1 56 ALA MB 1.800 . 7.000 4.266 3.847 4.704 . 0 0 "[ . 1 . 2]" 1
869 1 47 ALA MB 1 113 ILE HB 1.800 . 6.000 3.522 3.103 3.810 . 0 0 "[ . 1 . 2]" 1
870 1 47 ALA MB 1 113 ILE MD 1.800 . 7.000 3.710 3.473 3.916 . 0 0 "[ . 1 . 2]" 1
871 1 47 ALA MB 1 113 ILE MG 1.800 . 7.000 1.930 1.843 2.045 . 0 0 "[ . 1 . 2]" 1
872 1 47 ALA MB 1 114 ILE MG 1.800 . 8.000 4.989 4.735 5.169 . 0 0 "[ . 1 . 2]" 1
873 1 48 GLU QG 1 81 LEU QD 1.800 . 8.400 4.076 2.010 5.273 . 0 0 "[ . 1 . 2]" 1
874 1 50 PHE QB 1 82 LEU QD 1.800 . 7.400 2.994 2.596 4.453 . 0 0 "[ . 1 . 2]" 1
875 1 50 PHE QD 1 82 LEU QD 1.800 . 9.400 3.063 2.029 4.529 . 0 0 "[ . 1 . 2]" 1
876 1 52 LYS QB 1 113 ILE MG 1.800 . 7.000 3.716 3.331 4.319 . 0 0 "[ . 1 . 2]" 1
877 1 52 LYS QG 1 84 PHE QE 1.800 . 8.000 6.076 5.311 6.508 . 0 0 "[ . 1 . 2]" 1
878 1 53 LEU QD 1 56 ALA MB 1.800 . 8.400 4.099 3.560 4.558 . 0 0 "[ . 1 . 2]" 1
879 1 53 LEU QD 1 70 ALA MB 1.800 . 7.400 2.968 2.391 3.368 . 0 0 "[ . 1 . 2]" 1
880 1 53 LEU QD 1 82 LEU QD 1.800 . 9.800 2.316 1.962 2.771 . 0 0 "[ . 1 . 2]" 1
881 1 53 LEU QD 1 84 PHE QD 1.800 . 8.400 2.219 2.018 2.636 . 0 0 "[ . 1 . 2]" 1
882 1 53 LEU QD 1 84 PHE QE 1.800 . 9.400 2.626 2.101 3.223 . 0 0 "[ . 1 . 2]" 1
883 1 53 LEU HG 1 56 ALA MB 1.800 . 6.000 4.521 4.172 4.804 . 0 0 "[ . 1 . 2]" 1
884 1 54 GLU QB 1 57 ALA MB 1.800 . 7.000 4.223 3.961 4.444 . 0 0 "[ . 1 . 2]" 1
885 1 56 ALA HA 1 111 PHE QE 1.800 . 7.000 2.855 2.313 3.732 . 0 0 "[ . 1 . 2]" 1
886 1 56 ALA MB 1 59 GLU QB 1.800 . 7.000 4.086 3.654 4.373 . 0 0 "[ . 1 . 2]" 1
887 1 56 ALA MB 1 84 PHE QD 1.800 . 8.000 5.391 5.173 5.707 . 0 0 "[ . 1 . 2]" 1
888 1 56 ALA MB 1 84 PHE QE 1.800 . 8.000 3.831 3.453 4.181 . 0 0 "[ . 1 . 2]" 1
889 1 56 ALA MB 1 84 PHE HZ 1.800 . 7.000 3.398 3.100 3.766 . 0 0 "[ . 1 . 2]" 1
890 1 56 ALA MB 1 107 LEU QD 1.800 . 8.400 2.585 2.089 2.946 . 0 0 "[ . 1 . 2]" 1
891 1 56 ALA MB 1 107 LEU HG 1.800 . 6.000 3.760 3.144 4.220 . 0 0 "[ . 1 . 2]" 1
892 1 56 ALA MB 1 108 ALA MB 1.800 . 7.000 4.671 4.380 4.788 . 0 0 "[ . 1 . 2]" 1
893 1 56 ALA MB 1 111 PHE QD 1.800 . 8.000 2.618 2.240 3.337 . 0 0 "[ . 1 . 2]" 1
894 1 56 ALA MB 1 111 PHE QE 1.800 . 8.000 3.687 3.277 4.099 . 0 0 "[ . 1 . 2]" 1
895 1 56 ALA MB 1 113 ILE MD 1.800 . 7.000 2.105 1.885 2.339 . 0 0 "[ . 1 . 2]" 1
896 1 56 ALA MB 1 113 ILE MG 1.800 . 7.000 2.856 2.460 3.104 . 0 0 "[ . 1 . 2]" 1
897 1 57 ALA HA 1 84 PHE QE 1.800 . 7.000 3.485 3.008 3.706 . 0 0 "[ . 1 . 2]" 1
898 1 57 ALA HA 1 84 PHE HZ 1.800 . 5.000 4.952 4.706 5.019 0.019 18 0 "[ . 1 . 2]" 1
899 1 57 ALA MB 1 60 ALA MB 1.800 . 7.000 3.862 3.569 4.165 . 0 0 "[ . 1 . 2]" 1
900 1 57 ALA MB 1 84 PHE QD 1.800 . 8.000 3.464 3.001 3.825 . 0 0 "[ . 1 . 2]" 1
901 1 57 ALA MB 1 84 PHE QE 1.800 . 8.000 3.632 3.352 3.957 . 0 0 "[ . 1 . 2]" 1
902 1 57 ALA MB 1 84 PHE HZ 1.800 . 6.000 4.467 4.198 4.861 . 0 0 "[ . 1 . 2]" 1
903 1 59 GLU QB 1 60 ALA MB 1.800 . 7.000 3.834 3.701 3.974 . 0 0 "[ . 1 . 2]" 1
904 1 59 GLU QG 1 107 LEU QD 1.800 . 8.400 2.624 2.073 3.273 . 0 0 "[ . 1 . 2]" 1
905 1 60 ALA MB 1 63 MET ME 1.800 . 6.000 3.586 2.920 3.989 . 0 0 "[ . 1 . 2]" 1
906 1 60 ALA MB 1 65 PHE QB 1.800 . 7.000 2.533 2.135 2.933 . 0 0 "[ . 1 . 2]" 1
907 1 60 ALA MB 1 65 PHE QD 1.800 . 8.000 3.591 2.603 4.251 . 0 0 "[ . 1 . 2]" 1
908 1 60 ALA MB 1 67 VAL MG1 1.800 . 7.000 4.328 3.940 4.697 . 0 0 "[ . 1 . 2]" 1
909 1 60 ALA MB 1 67 VAL MG2 1.800 . 7.000 3.836 2.715 4.506 . 0 0 "[ . 1 . 2]" 1
910 1 60 ALA MB 1 84 PHE QD 1.800 . 8.000 4.727 4.254 5.257 . 0 0 "[ . 1 . 2]" 1
911 1 60 ALA MB 1 84 PHE QE 1.800 . 8.000 4.026 3.795 4.305 . 0 0 "[ . 1 . 2]" 1
912 1 60 ALA MB 1 84 PHE HZ 1.800 . 7.000 5.665 5.473 5.821 . 0 0 "[ . 1 . 2]" 1
913 1 60 ALA MB 1 86 ALA MB 1.800 . 7.000 3.387 2.991 3.676 . 0 0 "[ . 1 . 2]" 1
914 1 60 ALA MB 1 104 LEU MD2 1.800 . 7.000 3.097 2.187 3.539 . 0 0 "[ . 1 . 2]" 1
915 1 60 ALA MB 1 107 LEU QD 1.800 . 8.400 3.120 2.467 3.678 . 0 0 "[ . 1 . 2]" 1
916 1 61 PHE QD 1 67 VAL MG1 1.800 . 8.000 3.012 2.155 4.119 . 0 0 "[ . 1 . 2]" 1
917 1 61 PHE QD 1 67 VAL H 1.800 . 7.000 3.162 2.152 4.099 . 0 0 "[ . 1 . 2]" 1
918 1 59 GLU QG 1 63 MET ME 1.800 . 7.000 3.675 2.407 4.779 . 0 0 "[ . 1 . 2]" 1
919 1 63 MET ME 1 65 PHE QD 1.800 . 8.000 3.820 2.631 4.917 . 0 0 "[ . 1 . 2]" 1
920 1 63 MET ME 1 103 LYS QD 1.800 . 7.000 4.007 3.041 4.981 . 0 0 "[ . 1 . 2]" 1
921 1 63 MET ME 1 103 LYS QG 1.800 . 7.000 4.148 1.983 5.124 . 0 0 "[ . 1 . 2]" 1
922 1 63 MET ME 1 104 LEU MD2 1.800 . 7.000 3.353 2.531 4.000 . 0 0 "[ . 1 . 2]" 1
923 1 63 MET ME 1 107 LEU QB 1.800 . 7.000 3.099 2.286 3.614 . 0 0 "[ . 1 . 2]" 1
924 1 63 MET ME 1 107 LEU QD 1.800 . 7.400 2.218 1.945 2.502 . 0 0 "[ . 1 . 2]" 1
925 1 63 MET ME 1 107 LEU HG 1.800 . 6.000 4.688 4.342 5.004 . 0 0 "[ . 1 . 2]" 1
926 1 63 MET H 1 65 PHE QD 1.800 . 7.000 4.374 3.813 4.949 . 0 0 "[ . 1 . 2]" 1
927 1 64 GLY H 1 65 PHE QD 1.800 . 6.000 2.842 2.170 3.765 . 0 0 "[ . 1 . 2]" 1
928 1 65 PHE QB 1 86 ALA MB 1.800 . 7.000 2.266 2.013 2.577 . 0 0 "[ . 1 . 2]" 1
929 1 65 PHE QD 1 86 ALA MB 1.800 . 8.000 2.699 2.272 3.186 . 0 0 "[ . 1 . 2]" 1
930 1 65 PHE QD 1 87 THR H 1.800 . 7.000 4.341 3.565 4.860 . 0 0 "[ . 1 . 2]" 1
931 1 65 PHE QD 1 88 MET QB 1.800 . 8.000 2.526 2.176 3.006 . 0 0 "[ . 1 . 2]" 1
932 1 65 PHE QD 1 88 MET ME 1.800 . 8.000 3.294 2.644 3.971 . 0 0 "[ . 1 . 2]" 1
933 1 65 PHE QE 1 88 MET QB 1.800 . 8.000 2.835 2.200 3.453 . 0 0 "[ . 1 . 2]" 1
934 1 65 PHE QE 1 88 MET ME 1.800 . 8.000 2.704 2.062 3.439 . 0 0 "[ . 1 . 2]" 1
935 1 67 VAL MG2 1 84 PHE QD 1.800 . 8.000 2.456 2.134 3.296 . 0 0 "[ . 1 . 2]" 1
936 1 67 VAL MG2 1 84 PHE QE 1.800 . 8.000 3.965 3.455 4.835 . 0 0 "[ . 1 . 2]" 1
937 1 68 LEU QD 1 87 THR MG 1.800 . 8.400 3.658 2.494 4.318 . 0 0 "[ . 1 . 2]" 1
938 1 70 ALA MB 1 82 LEU MD1 1.800 . 7.000 4.497 4.074 4.790 . 0 0 "[ . 1 . 2]" 1
939 1 70 ALA MB 1 82 LEU MD2 1.800 . 7.000 3.177 2.513 4.011 . 0 0 "[ . 1 . 2]" 1
940 1 70 ALA MB 1 82 LEU HG 1.800 . 6.000 4.105 3.288 5.038 . 0 0 "[ . 1 . 2]" 1
941 1 70 ALA MB 1 83 CYS QB 1.800 . 7.000 3.713 3.442 4.081 . 0 0 "[ . 1 . 2]" 1
942 1 70 ALA MB 1 84 PHE QD 1.800 . 8.000 2.830 2.220 3.286 . 0 0 "[ . 1 . 2]" 1
943 1 71 GLU HG2 1 73 THR MG 1.800 . 7.000 4.878 3.145 5.774 . 0 0 "[ . 1 . 2]" 1
944 1 72 GLU QB 1 82 LEU QD 1.800 . 8.400 4.359 3.273 5.344 . 0 0 "[ . 1 . 2]" 1
945 1 72 GLU QG 1 82 LEU QD 1.800 . 8.400 3.990 2.806 5.505 . 0 0 "[ . 1 . 2]" 1
946 1 73 THR HB 1 81 LEU QD 1.800 . 7.400 4.459 2.227 5.174 . 0 0 "[ . 1 . 2]" 1
947 1 73 THR MG 1 81 LEU QB 1.800 . 8.400 4.095 2.048 5.299 . 0 0 "[ . 1 . 2]" 1
948 1 73 THR MG 1 81 LEU QD 1.800 . 8.400 2.455 1.950 3.616 . 0 0 "[ . 1 . 2]" 1
949 1 73 THR MG 1 81 LEU HG 1.800 . 6.000 3.476 2.217 4.778 . 0 0 "[ . 1 . 2]" 1
950 1 73 THR MG 1 83 CYS QB 1.800 . 7.000 2.711 2.002 3.764 . 0 0 "[ . 1 . 2]" 1
951 1 75 ASP QB 1 81 LEU QD 1.800 . 8.400 2.718 2.080 4.046 . 0 0 "[ . 1 . 2]" 1
952 1 84 PHE QD 1 86 ALA MB 1.800 . 8.000 3.842 3.508 4.129 . 0 0 "[ . 1 . 2]" 1
953 1 84 PHE QE 1 86 ALA MB 1.800 . 8.000 4.315 3.689 4.895 . 0 0 "[ . 1 . 2]" 1
954 1 84 PHE QE 1 113 ILE MD 1.800 . 8.000 3.323 3.053 3.520 . 0 0 "[ . 1 . 2]" 1
955 1 84 PHE HZ 1 113 ILE MD 1.800 . 7.000 2.254 1.984 2.520 . 0 0 "[ . 1 . 2]" 1
956 1 86 ALA MB 1 104 LEU MD1 1.800 . 7.000 3.589 2.904 4.270 . 0 0 "[ . 1 . 2]" 1
957 1 86 ALA MB 1 104 LEU MD2 1.800 . 7.000 3.653 3.160 4.392 . 0 0 "[ . 1 . 2]" 1
958 1 87 THR MG 1 89 GLN QE 1.800 . 7.000 4.386 3.184 5.108 . 0 0 "[ . 1 . 2]" 1
959 1 91 ALA MB 1 93 ASP QB 1.800 . 7.000 3.427 2.928 4.122 . 0 0 "[ . 1 . 2]" 1
960 1 91 ALA MB 1 96 LEU QD 1.800 . 8.400 3.091 2.172 4.386 . 0 0 "[ . 1 . 2]" 1
961 1 92 LEU QD 1 97 ILE MD 1.800 . 8.400 2.978 2.119 3.691 . 0 0 "[ . 1 . 2]" 1
962 1 92 LEU QD 1 118 TRP HH2 1.800 . 7.400 4.532 3.591 5.241 . 0 0 "[ . 1 . 2]" 1
963 1 92 LEU QD 1 120 THR MG 1.800 . 8.400 3.279 2.111 4.262 . 0 0 "[ . 1 . 2]" 1
964 1 94 ALA MB 1 97 ILE MD 1.800 . 6.000 3.782 3.364 4.035 . 0 0 "[ . 1 . 2]" 1
965 1 97 ILE MD 1 118 TRP HH2 1.800 . 7.000 2.754 2.236 3.498 . 0 0 "[ . 1 . 2]" 1
966 1 97 ILE MD 1 118 TRP HZ2 1.800 . 7.000 4.105 3.551 4.494 . 0 0 "[ . 1 . 2]" 1
967 1 97 ILE MD 1 120 THR MG 1.800 . 7.000 4.116 3.769 4.498 . 0 0 "[ . 1 . 2]" 1
968 1 97 ILE MG 1 101 VAL MG2 1.800 . 6.000 2.228 1.896 2.693 . 0 0 "[ . 1 . 2]" 1
969 1 97 ILE MG 1 118 TRP HE1 1.800 . 6.000 4.707 4.033 4.979 . 0 0 "[ . 1 . 2]" 1
970 1 97 ILE MG 1 118 TRP HZ2 1.800 . 6.000 3.774 3.351 4.159 . 0 0 "[ . 1 . 2]" 1
971 1 101 VAL QG 1 115 TYR QD 1.800 . 9.400 3.590 3.311 4.018 . 0 0 "[ . 1 . 2]" 1
972 1 101 VAL MG1 1 105 VAL QG 1.800 . 7.400 2.223 1.945 2.609 . 0 0 "[ . 1 . 2]" 1
973 1 101 VAL MG1 1 115 TYR QE 1.800 . 8.000 2.240 1.985 2.685 . 0 0 "[ . 1 . 2]" 1
974 1 101 VAL MG2 1 105 VAL QG 1.800 . 8.400 4.235 3.831 4.568 . 0 0 "[ . 1 . 2]" 1
975 1 101 VAL MG2 1 115 TYR QE 1.800 . 8.000 3.354 2.786 3.748 . 0 0 "[ . 1 . 2]" 1
976 1 102 GLU QG 1 106 ASN QD 1.800 . 7.000 2.795 1.824 4.738 . 0 0 "[ . 1 . 2]" 1
977 1 104 LEU QD 1 107 LEU QD 1.800 . 9.800 3.002 2.508 3.478 . 0 0 "[ . 1 . 2]" 1
978 1 104 LEU QD 1 107 LEU HG 1.800 . 8.400 5.426 4.972 5.817 . 0 0 "[ . 1 . 2]" 1
979 1 104 LEU QD 1 115 TYR QD 1.800 . 9.400 3.572 3.275 3.997 . 0 0 "[ . 1 . 2]" 1
980 1 105 VAL QG 1 108 ALA MB 1.800 . 8.400 3.465 3.235 3.717 . 0 0 "[ . 1 . 2]" 1
981 1 105 VAL QG 1 115 TYR QD 1.800 . 9.400 2.264 2.023 2.635 . 0 0 "[ . 1 . 2]" 1
982 1 107 LEU QD 1 108 ALA MB 1.800 . 8.400 3.574 3.023 4.291 . 0 0 "[ . 1 . 2]" 1
983 1 107 LEU QD 1 113 ILE MD 1.800 . 8.400 3.009 2.345 3.825 . 0 0 "[ . 1 . 2]" 1
984 1 107 LEU HG 1 108 ALA MB 1.800 . 6.000 4.850 4.580 5.021 . 0 0 "[ . 1 . 2]" 1
985 1 108 ALA MB 1 113 ILE MD 1.800 . 7.000 2.666 2.188 3.025 . 0 0 "[ . 1 . 2]" 1
986 1 108 ALA MB 1 113 ILE MG 1.800 . 7.000 4.348 4.113 4.512 . 0 0 "[ . 1 . 2]" 1
987 1 108 ALA MB 1 115 TYR QD 1.800 . 8.000 3.983 2.907 4.410 . 0 0 "[ . 1 . 2]" 1
988 1 111 PHE QB 1 113 ILE MD 1.800 . 7.000 3.323 2.894 3.559 . 0 0 "[ . 1 . 2]" 1
989 1 118 TRP HE3 1 119 GLY H 1.800 . 6.000 2.930 1.809 3.961 . 0 0 "[ . 1 . 2]" 1
990 1 118 TRP HE3 1 120 THR H 1.800 . 6.000 4.825 4.362 5.432 . 0 0 "[ . 1 . 2]" 1
991 1 118 TRP HZ3 1 119 GLY H 1.800 . 6.000 4.815 3.804 5.897 . 0 0 "[ . 1 . 2]" 1
992 1 118 TRP HZ3 1 120 THR MG 1.800 . 6.000 3.013 2.218 4.076 . 0 0 "[ . 1 . 2]" 1
993 1 118 TRP HZ3 1 120 THR H 1.800 . 6.000 4.288 3.333 5.467 . 0 0 "[ . 1 . 2]" 1
994 1 122 TYR QD 1 123 GLU H 1.800 . 7.000 2.857 1.795 4.327 0.005 10 0 "[ . 1 . 2]" 1
995 1 122 TYR QD 1 124 GLY H 1.800 . 7.000 4.489 3.053 6.176 . 0 0 "[ . 1 . 2]" 1
996 1 122 TYR QD 1 125 LEU QD 1.800 . 9.400 3.405 2.166 4.778 . 0 0 "[ . 1 . 2]" 1
997 1 122 TYR QE 1 125 LEU QD 1.800 . 9.400 4.648 2.194 5.906 . 0 0 "[ . 1 . 2]" 1
998 1 24 ILE HA 1 24 ILE MD 1.800 . 5.000 3.821 3.770 3.916 . 0 0 "[ . 1 . 2]" 1
999 1 43 HIS H 1 43 HIS HD2 1.800 . 5.000 2.840 2.013 4.033 . 0 0 "[ . 1 . 2]" 1
1000 1 88 MET HA 1 88 MET ME 1.800 . 6.000 4.160 3.674 4.454 . 0 0 "[ . 1 . 2]" 1
1001 1 110 LYS HA 1 110 LYS QD 1.800 . 5.000 3.624 2.365 4.113 . 0 0 "[ . 1 . 2]" 1
1002 1 110 LYS HA 1 110 LYS QE 1.800 . 6.000 4.362 3.462 5.026 . 0 0 "[ . 1 . 2]" 1
1003 1 9 SER HA 1 10 VAL QG 1.800 . 7.400 3.955 3.225 4.788 . 0 0 "[ . 1 . 2]" 1
1004 1 14 ILE MG 1 15 GLU HA 1.800 . 5.000 3.221 2.963 3.588 . 0 0 "[ . 1 . 2]" 1
1005 1 16 ILE MG 1 17 GLN HA 1.800 . 5.000 3.410 2.985 4.028 . 0 0 "[ . 1 . 2]" 1
1006 1 21 THR MG 1 22 ARG HA 1.800 . 6.000 3.712 3.219 4.069 . 0 0 "[ . 1 . 2]" 1
1007 1 24 ILE MG 1 25 ILE HA 1.800 . 6.000 3.405 2.962 3.996 . 0 0 "[ . 1 . 2]" 1
1008 1 24 ILE H 1 25 ILE MD 1.800 . 6.000 4.434 3.979 4.869 . 0 0 "[ . 1 . 2]" 1
1009 1 25 ILE H 1 26 GLN QB 1.800 . 6.000 4.828 4.478 5.056 . 0 0 "[ . 1 . 2]" 1
1010 1 26 GLN H 1 27 ALA MB 1.800 . 6.000 4.379 4.142 4.583 . 0 0 "[ . 1 . 2]" 1
1011 1 26 GLN QG 1 27 ALA MB 1.800 . 8.000 5.109 3.397 5.421 . 0 0 "[ . 1 . 2]" 1
1012 1 27 ALA MB 1 28 LEU HA 1.800 . 6.000 3.729 3.634 3.894 . 0 0 "[ . 1 . 2]" 1
1013 1 27 ALA H 1 28 LEU QB 1.800 . 6.000 4.725 4.283 5.195 . 0 0 "[ . 1 . 2]" 1
1014 1 28 LEU H 1 29 LEU QD 1.800 . 7.400 4.939 4.097 5.552 . 0 0 "[ . 1 . 2]" 1
1015 1 29 LEU H 1 30 GLU QB 1.800 . 6.000 4.589 4.358 4.874 . 0 0 "[ . 1 . 2]" 1
1016 1 30 GLU H 1 31 ASP QB 1.800 . 6.000 4.617 4.209 5.202 . 0 0 "[ . 1 . 2]" 1
1017 1 32 GLY H 1 33 SER QB 1.800 . 6.000 3.885 3.397 4.502 . 0 0 "[ . 1 . 2]" 1
1018 1 51 ASP H 1 52 LYS QB 1.800 . 6.000 4.767 4.327 5.197 . 0 0 "[ . 1 . 2]" 1
1019 1 56 ALA H 1 57 ALA MB 1.800 . 6.000 4.372 4.177 4.554 . 0 0 "[ . 1 . 2]" 1
1020 1 59 GLU H 1 60 ALA MB 1.800 . 6.000 4.413 4.193 4.579 . 0 0 "[ . 1 . 2]" 1
1021 1 66 GLU HA 1 67 VAL MG1 1.800 . 6.000 3.711 3.332 4.155 . 0 0 "[ . 1 . 2]" 1
1022 1 65 PHE QD 1 66 GLU H 1.800 . 7.000 3.914 3.222 4.467 . 0 0 "[ . 1 . 2]" 1
1023 1 86 ALA H 1 87 THR MG 1.800 . 6.000 4.613 4.073 4.828 . 0 0 "[ . 1 . 2]" 1
1024 1 90 SER HG 1 91 ALA H 1.800 . 5.000 3.404 2.269 4.443 . 0 0 "[ . 1 . 2]" 1
1025 1 98 ASP H 1 99 GLU QB 1.800 . 6.000 4.622 4.323 5.024 . 0 0 "[ . 1 . 2]" 1
1026 1 98 ASP H 1 99 GLU QG 1.800 . 6.000 4.572 3.508 5.243 . 0 0 "[ . 1 . 2]" 1
1027 1 100 GLN H 1 101 VAL QG 1.800 . 7.400 4.365 4.113 4.577 . 0 0 "[ . 1 . 2]" 1
1028 1 103 LYS H 1 104 LEU HG 1.800 . 5.000 4.575 4.126 5.009 0.009 16 0 "[ . 1 . 2]" 1
1029 1 105 VAL H 1 106 ASN QB 1.800 . 6.000 4.593 4.300 4.964 . 0 0 "[ . 1 . 2]" 1
1030 1 107 LEU H 1 108 ALA MB 1.800 . 6.000 4.311 4.159 4.454 . 0 0 "[ . 1 . 2]" 1
1031 1 108 ALA MB 1 109 GLU HA 1.800 . 5.000 3.770 3.683 3.863 . 0 0 "[ . 1 . 2]" 1
1032 1 109 GLU QB 1 110 LYS HA 1.800 . 6.000 3.932 3.845 4.007 . 0 0 "[ . 1 . 2]" 1
1033 1 109 GLU H 1 110 LYS QB 1.800 . 6.000 4.387 4.210 4.697 . 0 0 "[ . 1 . 2]" 1
1034 1 110 LYS H 1 111 PHE QB 1.800 . 6.000 4.566 4.193 4.890 . 0 0 "[ . 1 . 2]" 1
1035 1 115 TYR QD 1 116 ASP H 1.800 . 7.000 3.572 1.969 4.136 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 116
_Distance_constraint_stats_list.Viol_count 221
_Distance_constraint_stats_list.Viol_total 53.856
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0122
_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 11 GLU 0.004 0.004 13 0 "[ . 1 . 2]"
1 12 GLU 0.009 0.009 2 0 "[ . 1 . 2]"
1 13 LEU 0.025 0.022 9 0 "[ . 1 . 2]"
1 14 ILE 0.025 0.019 8 0 "[ . 1 . 2]"
1 15 GLU 0.153 0.040 11 0 "[ . 1 . 2]"
1 16 ILE 0.011 0.009 2 0 "[ . 1 . 2]"
1 17 GLN 0.085 0.022 13 0 "[ . 1 . 2]"
1 18 LYS 0.060 0.023 3 0 "[ . 1 . 2]"
1 19 GLU 0.154 0.040 11 0 "[ . 1 . 2]"
1 20 GLU 0.002 0.002 1 0 "[ . 1 . 2]"
1 21 THR 0.146 0.028 5 0 "[ . 1 . 2]"
1 22 ARG 0.057 0.023 3 0 "[ . 1 . 2]"
1 23 ASP 0.025 0.018 5 0 "[ . 1 . 2]"
1 24 ILE 0.033 0.017 18 0 "[ . 1 . 2]"
1 25 ILE 0.102 0.028 5 0 "[ . 1 . 2]"
1 26 GLN 0.041 0.015 5 0 "[ . 1 . 2]"
1 27 ALA 0.025 0.018 5 0 "[ . 1 . 2]"
1 28 LEU 0.033 0.017 18 0 "[ . 1 . 2]"
1 29 LEU 0.016 0.008 15 0 "[ . 1 . 2]"
1 30 GLU 0.019 0.015 5 0 "[ . 1 . 2]"
1 31 ASP 0.006 0.006 18 0 "[ . 1 . 2]"
1 34 ASP 0.083 0.023 19 0 "[ . 1 . 2]"
1 37 ALA 0.083 0.023 19 0 "[ . 1 . 2]"
1 39 TYR 0.076 0.019 2 0 "[ . 1 . 2]"
1 41 ILE 0.144 0.049 4 0 "[ . 1 . 2]"
1 42 GLU 0.010 0.010 14 0 "[ . 1 . 2]"
1 43 HIS 0.076 0.021 5 0 "[ . 1 . 2]"
1 44 HIS 0.052 0.018 3 0 "[ . 1 . 2]"
1 45 LEU 0.302 0.040 14 0 "[ . 1 . 2]"
1 47 ALA 0.454 0.048 12 0 "[ . 1 . 2]"
1 49 ASP 0.037 0.020 1 0 "[ . 1 . 2]"
1 50 PHE 0.036 0.015 11 0 "[ . 1 . 2]"
1 51 ASP 0.060 0.028 16 0 "[ . 1 . 2]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.052 0.020 1 0 "[ . 1 . 2]"
1 54 GLU 0.067 0.015 11 0 "[ . 1 . 2]"
1 55 LYS 0.069 0.028 16 0 "[ . 1 . 2]"
1 56 ALA 0.015 0.007 11 0 "[ . 1 . 2]"
1 57 ALA 0.033 0.018 3 0 "[ . 1 . 2]"
1 58 VAL 0.061 0.020 1 0 "[ . 1 . 2]"
1 59 GLU 0.024 0.008 9 0 "[ . 1 . 2]"
1 60 ALA 0.015 0.007 11 0 "[ . 1 . 2]"
1 61 PHE 0.018 0.018 3 0 "[ . 1 . 2]"
1 62 LYS 0.030 0.020 1 0 "[ . 1 . 2]"
1 63 MET 0.014 0.008 8 0 "[ . 1 . 2]"
1 66 GLU 0.031 0.019 14 0 "[ . 1 . 2]"
1 68 LEU 0.061 0.021 5 0 "[ . 1 . 2]"
1 82 LEU 0.454 0.048 12 0 "[ . 1 . 2]"
1 84 PHE 0.302 0.040 14 0 "[ . 1 . 2]"
1 85 ASP 0.061 0.021 5 0 "[ . 1 . 2]"
1 86 ALA 0.076 0.021 5 0 "[ . 1 . 2]"
1 87 THR 0.031 0.019 14 0 "[ . 1 . 2]"
1 88 MET 0.144 0.049 4 0 "[ . 1 . 2]"
1 90 SER 0.076 0.019 2 0 "[ . 1 . 2]"
1 93 ASP 0.016 0.016 10 0 "[ . 1 . 2]"
1 94 ALA 0.153 0.032 11 0 "[ . 1 . 2]"
1 95 LYS 0.037 0.018 4 0 "[ . 1 . 2]"
1 96 LEU 0.035 0.014 12 0 "[ . 1 . 2]"
1 97 ILE 0.020 0.016 10 0 "[ . 1 . 2]"
1 98 ASP 0.241 0.032 11 0 "[ . 1 . 2]"
1 99 GLU 0.043 0.018 4 0 "[ . 1 . 2]"
1 100 GLN 0.096 0.032 18 0 "[ . 1 . 2]"
1 101 VAL 0.083 0.019 20 0 "[ . 1 . 2]"
1 102 GLU 0.088 0.027 6 0 "[ . 1 . 2]"
1 103 LYS 0.006 0.005 3 0 "[ . 1 . 2]"
1 104 LEU 0.079 0.032 18 0 "[ . 1 . 2]"
1 105 VAL 0.078 0.019 20 0 "[ . 1 . 2]"
1 106 ASN 0.021 0.013 18 0 "[ . 1 . 2]"
1 107 LEU 0.105 0.024 3 0 "[ . 1 . 2]"
1 108 ALA 0.018 0.017 9 0 "[ . 1 . 2]"
1 109 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LYS 0.021 0.013 18 0 "[ . 1 . 2]"
1 111 PHE 0.105 0.024 3 0 "[ . 1 . 2]"
1 117 GLY 0.052 0.018 3 0 "[ . 1 . 2]"
1 119 GLY 0.010 0.010 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLU O 1 15 GLU N 2.800 2.800 3.300 3.045 2.801 3.268 . 0 0 "[ . 1 . 2]" 2
2 1 11 GLU O 1 15 GLU H 1.800 . 2.300 2.113 1.827 2.304 0.004 13 0 "[ . 1 . 2]" 2
3 1 12 GLU O 1 16 ILE N 2.800 2.800 3.300 3.059 2.824 3.276 . 0 0 "[ . 1 . 2]" 2
4 1 12 GLU O 1 16 ILE H 1.800 . 2.300 2.107 1.860 2.309 0.009 2 0 "[ . 1 . 2]" 2
5 1 13 LEU O 1 17 GLN N 2.800 2.800 3.300 2.984 2.778 3.212 0.022 9 0 "[ . 1 . 2]" 2
6 1 13 LEU O 1 17 GLN H 1.800 . 2.300 2.078 1.870 2.299 . 0 0 "[ . 1 . 2]" 2
7 1 14 ILE O 1 18 LYS N 2.800 2.800 3.300 2.903 2.781 3.139 0.019 8 0 "[ . 1 . 2]" 2
8 1 14 ILE O 1 18 LYS H 1.800 . 2.300 2.041 1.813 2.303 0.003 18 0 "[ . 1 . 2]" 2
9 1 15 GLU O 1 19 GLU N 2.800 2.800 3.300 3.155 2.779 3.305 0.021 15 0 "[ . 1 . 2]" 2
10 1 15 GLU O 1 19 GLU H 1.800 . 2.300 2.225 1.805 2.340 0.040 11 0 "[ . 1 . 2]" 2
11 1 16 ILE O 1 20 GLU N 2.800 2.800 3.300 3.020 2.811 3.252 . 0 0 "[ . 1 . 2]" 2
12 1 16 ILE O 1 20 GLU H 1.800 . 2.300 2.103 1.877 2.302 0.002 1 0 "[ . 1 . 2]" 2
13 1 17 GLN O 1 21 THR N 2.800 2.800 3.300 2.942 2.778 3.227 0.022 13 0 "[ . 1 . 2]" 2
14 1 17 GLN O 1 21 THR H 1.800 . 2.300 2.039 1.816 2.302 0.002 12 0 "[ . 1 . 2]" 2
15 1 18 LYS O 1 22 ARG N 2.800 2.800 3.300 3.122 2.898 3.291 . 0 0 "[ . 1 . 2]" 2
16 1 18 LYS O 1 22 ARG H 1.800 . 2.300 2.177 1.953 2.323 0.023 3 0 "[ . 1 . 2]" 2
17 1 19 GLU O 1 23 ASP N 2.800 2.800 3.300 3.058 2.813 3.254 . 0 0 "[ . 1 . 2]" 2
18 1 19 GLU O 1 23 ASP H 1.800 . 2.300 2.136 1.866 2.304 0.004 12 0 "[ . 1 . 2]" 2
19 1 20 GLU O 1 24 ILE N 2.800 2.800 3.300 3.079 2.877 3.211 . 0 0 "[ . 1 . 2]" 2
20 1 20 GLU O 1 24 ILE H 1.800 . 2.300 2.155 1.960 2.300 . 0 0 "[ . 1 . 2]" 2
21 1 21 THR O 1 25 ILE N 2.800 2.800 3.300 2.892 2.772 3.081 0.028 5 0 "[ . 1 . 2]" 2
22 1 21 THR O 1 25 ILE H 1.800 . 2.300 2.026 1.836 2.271 . 0 0 "[ . 1 . 2]" 2
23 1 22 ARG O 1 26 GLN N 2.800 2.800 3.300 2.987 2.798 3.243 0.002 9 0 "[ . 1 . 2]" 2
24 1 22 ARG O 1 26 GLN H 1.800 . 2.300 2.109 1.881 2.309 0.009 14 0 "[ . 1 . 2]" 2
25 1 23 ASP O 1 27 ALA N 2.800 2.800 3.300 3.115 2.923 3.285 . 0 0 "[ . 1 . 2]" 2
26 1 23 ASP O 1 27 ALA H 1.800 . 2.300 2.179 1.946 2.318 0.018 5 0 "[ . 1 . 2]" 2
27 1 24 ILE O 1 28 LEU N 2.800 2.800 3.300 2.970 2.792 3.276 0.008 4 0 "[ . 1 . 2]" 2
28 1 24 ILE O 1 28 LEU H 1.800 . 2.300 2.036 1.826 2.317 0.017 18 0 "[ . 1 . 2]" 2
29 1 25 ILE O 1 29 LEU N 2.800 2.800 3.300 2.969 2.792 3.196 0.008 15 0 "[ . 1 . 2]" 2
30 1 25 ILE O 1 29 LEU H 1.800 . 2.300 2.043 1.830 2.276 . 0 0 "[ . 1 . 2]" 2
31 1 26 GLN O 1 30 GLU N 2.800 2.800 3.300 2.923 2.785 3.116 0.015 5 0 "[ . 1 . 2]" 2
32 1 26 GLN O 1 30 GLU H 1.800 . 2.300 2.009 1.843 2.302 0.002 6 0 "[ . 1 . 2]" 2
33 1 27 ALA O 1 31 ASP N 2.800 2.800 3.300 2.973 2.803 3.187 . 0 0 "[ . 1 . 2]" 2
34 1 27 ALA O 1 31 ASP H 1.800 . 2.300 2.121 1.857 2.306 0.006 18 0 "[ . 1 . 2]" 2
35 1 34 ASP O 1 37 ALA N 2.800 2.800 3.300 3.061 2.788 3.277 0.012 8 0 "[ . 1 . 2]" 2
36 1 34 ASP O 1 37 ALA H 1.800 . 2.300 2.158 1.869 2.323 0.023 19 0 "[ . 1 . 2]" 2
37 1 39 TYR O 1 90 SER N 2.800 2.800 3.300 2.952 2.781 3.181 0.019 2 0 "[ . 1 . 2]" 2
38 1 39 TYR O 1 90 SER H 1.800 . 2.300 2.011 1.811 2.265 . 0 0 "[ . 1 . 2]" 2
39 1 41 ILE O 1 88 MET N 2.800 2.800 3.300 3.063 2.790 3.205 0.010 19 0 "[ . 1 . 2]" 2
40 1 41 ILE O 1 88 MET H 1.800 . 2.300 2.225 2.016 2.312 0.012 6 0 "[ . 1 . 2]" 2
41 1 42 GLU O 1 119 GLY N 2.800 2.800 3.300 3.043 2.843 3.218 . 0 0 "[ . 1 . 2]" 2
42 1 42 GLU O 1 119 GLY H 1.800 . 2.300 2.121 1.926 2.310 0.010 14 0 "[ . 1 . 2]" 2
43 1 43 HIS O 1 86 ALA N 2.800 2.800 3.300 2.974 2.795 3.209 0.005 6 0 "[ . 1 . 2]" 2
44 1 43 HIS O 1 86 ALA H 1.800 . 2.300 2.115 1.873 2.308 0.008 5 0 "[ . 1 . 2]" 2
45 1 45 LEU O 1 84 PHE N 2.800 2.800 3.300 3.018 2.859 3.112 . 0 0 "[ . 1 . 2]" 2
46 1 45 LEU O 1 84 PHE H 1.800 . 2.300 2.288 2.156 2.340 0.040 14 0 "[ . 1 . 2]" 2
47 1 49 ASP O 1 53 LEU N 2.800 2.800 3.300 2.990 2.780 3.237 0.020 1 0 "[ . 1 . 2]" 2
48 1 49 ASP O 1 53 LEU H 1.800 . 2.300 2.083 1.880 2.297 . 0 0 "[ . 1 . 2]" 2
49 1 50 PHE O 1 54 GLU N 2.800 2.800 3.300 3.073 2.851 3.282 . 0 0 "[ . 1 . 2]" 2
50 1 50 PHE O 1 54 GLU H 1.800 . 2.300 2.129 1.902 2.315 0.015 11 0 "[ . 1 . 2]" 2
51 1 51 ASP O 1 55 LYS N 2.800 2.800 3.300 3.136 2.904 3.272 . 0 0 "[ . 1 . 2]" 2
52 1 51 ASP O 1 55 LYS H 1.800 . 2.300 2.228 2.015 2.328 0.028 16 0 "[ . 1 . 2]" 2
53 1 52 LYS O 1 56 ALA N 2.800 2.800 3.300 2.988 2.802 3.202 . 0 0 "[ . 1 . 2]" 2
54 1 52 LYS O 1 56 ALA H 1.800 . 2.300 2.035 1.837 2.237 . 0 0 "[ . 1 . 2]" 2
55 1 53 LEU O 1 57 ALA N 2.800 2.800 3.300 2.897 2.788 3.142 0.012 5 0 "[ . 1 . 2]" 2
56 1 53 LEU O 1 57 ALA H 1.800 . 2.300 1.989 1.834 2.283 . 0 0 "[ . 1 . 2]" 2
57 1 54 GLU O 1 58 VAL N 2.800 2.800 3.300 2.928 2.787 3.221 0.013 17 0 "[ . 1 . 2]" 2
58 1 54 GLU O 1 58 VAL H 1.800 . 2.300 2.009 1.828 2.284 . 0 0 "[ . 1 . 2]" 2
59 1 55 LYS O 1 59 GLU N 2.800 2.800 3.300 3.139 2.813 3.276 . 0 0 "[ . 1 . 2]" 2
60 1 55 LYS O 1 59 GLU H 1.800 . 2.300 2.183 1.886 2.308 0.008 9 0 "[ . 1 . 2]" 2
61 1 56 ALA O 1 60 ALA N 2.800 2.800 3.300 3.051 2.793 3.286 0.007 18 0 "[ . 1 . 2]" 2
62 1 56 ALA O 1 60 ALA H 1.800 . 2.300 2.128 1.868 2.307 0.007 11 0 "[ . 1 . 2]" 2
63 1 57 ALA O 1 61 PHE N 2.800 2.800 3.300 3.016 2.782 3.237 0.018 3 0 "[ . 1 . 2]" 2
64 1 57 ALA O 1 61 PHE H 1.800 . 2.300 2.083 1.826 2.298 . 0 0 "[ . 1 . 2]" 2
65 1 58 VAL O 1 62 LYS N 2.800 2.800 3.300 3.026 2.780 3.213 0.020 1 0 "[ . 1 . 2]" 2
66 1 58 VAL O 1 62 LYS H 1.800 . 2.300 2.119 1.927 2.282 . 0 0 "[ . 1 . 2]" 2
67 1 59 GLU O 1 63 MET N 2.800 2.800 3.300 3.047 2.803 3.221 . 0 0 "[ . 1 . 2]" 2
68 1 59 GLU O 1 63 MET H 1.800 . 2.300 2.155 1.889 2.308 0.008 8 0 "[ . 1 . 2]" 2
69 1 66 GLU O 1 87 THR N 2.800 2.800 3.300 3.083 2.900 3.250 . 0 0 "[ . 1 . 2]" 2
70 1 66 GLU O 1 87 THR H 1.800 . 2.300 2.225 1.991 2.319 0.019 14 0 "[ . 1 . 2]" 2
71 1 68 LEU O 1 85 ASP N 2.800 2.800 3.300 3.155 3.028 3.256 . 0 0 "[ . 1 . 2]" 2
72 1 68 LEU O 1 85 ASP H 1.800 . 2.300 2.255 2.121 2.321 0.021 5 0 "[ . 1 . 2]" 2
73 1 47 ALA N 1 82 LEU O 2.800 2.800 3.300 3.204 3.116 3.278 . 0 0 "[ . 1 . 2]" 2
74 1 47 ALA H 1 82 LEU O 1.800 . 2.300 2.316 2.234 2.348 0.048 12 0 "[ . 1 . 2]" 2
75 1 45 LEU N 1 84 PHE O 2.800 2.800 3.300 3.207 3.000 3.303 0.003 10 0 "[ . 1 . 2]" 2
76 1 45 LEU H 1 84 PHE O 1.800 . 2.300 2.246 2.027 2.329 0.029 10 0 "[ . 1 . 2]" 2
77 1 43 HIS N 1 86 ALA O 2.800 2.800 3.300 2.874 2.779 3.090 0.021 5 0 "[ . 1 . 2]" 2
78 1 43 HIS H 1 86 ALA O 1.800 . 2.300 1.937 1.798 2.163 0.002 5 0 "[ . 1 . 2]" 2
79 1 41 ILE N 1 88 MET O 2.800 2.800 3.300 3.054 2.751 3.238 0.049 4 0 "[ . 1 . 2]" 2
80 1 41 ILE H 1 88 MET O 1.800 . 2.300 2.114 1.802 2.311 0.011 18 0 "[ . 1 . 2]" 2
81 1 39 TYR N 1 90 SER O 2.800 2.800 3.300 2.906 2.784 3.170 0.016 10 0 "[ . 1 . 2]" 2
82 1 39 TYR H 1 90 SER O 1.800 . 2.300 2.052 1.822 2.315 0.015 19 0 "[ . 1 . 2]" 2
83 1 93 ASP O 1 97 ILE N 2.800 2.800 3.300 2.973 2.804 3.245 . 0 0 "[ . 1 . 2]" 2
84 1 93 ASP O 1 97 ILE H 1.800 . 2.300 2.046 1.837 2.316 0.016 10 0 "[ . 1 . 2]" 2
85 1 94 ALA O 1 98 ASP N 2.800 2.800 3.300 2.828 2.768 2.985 0.032 11 0 "[ . 1 . 2]" 2
86 1 94 ALA O 1 98 ASP H 1.800 . 2.300 1.994 1.856 2.187 . 0 0 "[ . 1 . 2]" 2
87 1 95 LYS O 1 99 GLU N 2.800 2.800 3.300 3.160 3.016 3.264 . 0 0 "[ . 1 . 2]" 2
88 1 95 LYS O 1 99 GLU H 1.800 . 2.300 2.243 2.072 2.318 0.018 4 0 "[ . 1 . 2]" 2
89 1 96 LEU O 1 100 GLN N 2.800 2.800 3.300 3.040 2.792 3.278 0.008 19 0 "[ . 1 . 2]" 2
90 1 96 LEU O 1 100 GLN H 1.800 . 2.300 2.080 1.816 2.314 0.014 12 0 "[ . 1 . 2]" 2
91 1 97 ILE O 1 101 VAL N 2.800 2.800 3.300 2.975 2.802 3.210 . 0 0 "[ . 1 . 2]" 2
92 1 97 ILE O 1 101 VAL H 1.800 . 2.300 2.032 1.896 2.305 0.005 1 0 "[ . 1 . 2]" 2
93 1 98 ASP O 1 102 GLU N 2.800 2.800 3.300 2.869 2.773 3.089 0.027 6 0 "[ . 1 . 2]" 2
94 1 98 ASP O 1 102 GLU H 1.800 . 2.300 1.963 1.820 2.199 . 0 0 "[ . 1 . 2]" 2
95 1 99 GLU O 1 103 LYS N 2.800 2.800 3.300 3.055 2.866 3.253 . 0 0 "[ . 1 . 2]" 2
96 1 99 GLU O 1 103 LYS H 1.800 . 2.300 2.183 1.979 2.305 0.005 3 0 "[ . 1 . 2]" 2
97 1 100 GLN O 1 104 LEU N 2.800 2.800 3.300 3.112 2.901 3.295 . 0 0 "[ . 1 . 2]" 2
98 1 100 GLN O 1 104 LEU H 1.800 . 2.300 2.165 1.980 2.332 0.032 18 0 "[ . 1 . 2]" 2
99 1 101 VAL O 1 105 VAL N 2.800 2.800 3.300 2.842 2.781 3.067 0.019 20 0 "[ . 1 . 2]" 2
100 1 101 VAL O 1 105 VAL H 1.800 . 2.300 2.002 1.829 2.302 0.002 17 0 "[ . 1 . 2]" 2
101 1 102 GLU O 1 106 ASN N 2.800 2.800 3.300 3.018 2.822 3.227 . 0 0 "[ . 1 . 2]" 2
102 1 102 GLU O 1 106 ASN H 1.800 . 2.300 2.073 1.861 2.297 . 0 0 "[ . 1 . 2]" 2
103 1 103 LYS O 1 107 LEU N 2.800 2.800 3.300 3.017 2.811 3.184 . 0 0 "[ . 1 . 2]" 2
104 1 103 LYS O 1 107 LEU H 1.800 . 2.300 2.071 1.862 2.269 . 0 0 "[ . 1 . 2]" 2
105 1 104 LEU O 1 108 ALA N 2.800 2.800 3.300 2.928 2.783 3.139 0.017 9 0 "[ . 1 . 2]" 2
106 1 104 LEU O 1 108 ALA H 1.800 . 2.300 2.041 1.853 2.300 . 0 0 "[ . 1 . 2]" 2
107 1 105 VAL O 1 109 GLU N 2.800 2.800 3.300 3.083 2.820 3.238 . 0 0 "[ . 1 . 2]" 2
108 1 105 VAL O 1 109 GLU H 1.800 . 2.300 2.125 1.849 2.266 . 0 0 "[ . 1 . 2]" 2
109 1 106 ASN O 1 110 LYS N 2.800 2.800 3.300 2.868 2.787 2.982 0.013 18 0 "[ . 1 . 2]" 2
110 1 106 ASN O 1 110 LYS H 1.800 . 2.300 2.095 1.844 2.288 . 0 0 "[ . 1 . 2]" 2
111 1 107 LEU O 1 111 PHE N 2.800 2.800 3.300 3.067 2.968 3.166 . 0 0 "[ . 1 . 2]" 2
112 1 107 LEU O 1 111 PHE H 1.800 . 2.300 2.275 2.204 2.324 0.024 3 0 "[ . 1 . 2]" 2
113 1 44 HIS N 1 117 GLY O 2.800 2.800 3.300 2.831 2.782 2.988 0.018 3 0 "[ . 1 . 2]" 2
114 1 44 HIS H 1 117 GLY O 1.800 . 2.300 2.061 1.851 2.307 0.007 17 0 "[ . 1 . 2]" 2
115 1 42 GLU N 1 119 GLY O 2.800 2.800 3.300 2.946 2.816 3.159 . 0 0 "[ . 1 . 2]" 2
116 1 42 GLU H 1 119 GLY O 1.800 . 2.300 2.070 1.877 2.273 . 0 0 "[ . 1 . 2]" 2
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