NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
306385 |
1p68   |
5687 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p68
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 667
_Distance_constraint_stats_list.Viol_count 814
_Distance_constraint_stats_list.Viol_total 418.598
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0343
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 .]"
1 2 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 3 GLY 0.511 0.066 6 0 "[ . 1 .]"
1 4 LYS 0.159 0.034 2 0 "[ . 1 .]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 6 ASN 0.511 0.066 6 0 "[ . 1 .]"
1 7 ASP 0.092 0.026 14 0 "[ . 1 .]"
1 8 LEU 0.284 0.041 4 0 "[ . 1 .]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 10 GLU 0.082 0.018 5 0 "[ . 1 .]"
1 11 ASP 0.097 0.026 14 0 "[ . 1 .]"
1 12 LEU 0.855 0.052 8 0 "[ . 1 .]"
1 13 GLN 0.379 0.039 8 0 "[ . 1 .]"
1 14 GLU 1.039 0.090 3 0 "[ . 1 .]"
1 15 VAL 0.111 0.034 5 0 "[ . 1 .]"
1 16 LEU 0.668 0.052 8 0 "[ . 1 .]"
1 17 LYS 0.281 0.031 13 0 "[ . 1 .]"
1 18 ASN 1.345 0.090 3 0 "[ . 1 .]"
1 19 LEU 0.086 0.031 13 0 "[ . 1 .]"
1 20 HIS 0.648 0.077 1 0 "[ . 1 .]"
1 21 LYS 1.876 0.160 10 0 "[ . 1 .]"
1 22 ASN 0.075 0.024 1 0 "[ . 1 .]"
1 23 TRP 2.909 0.160 10 0 "[ . 1 .]"
1 24 HIS 0.199 0.094 4 0 "[ . 1 .]"
1 25 GLY 1.130 0.122 12 0 "[ . 1 .]"
1 26 GLY 0.575 0.089 4 0 "[ . 1 .]"
1 27 LYS 0.531 0.063 2 0 "[ . 1 .]"
1 28 ASP 0.213 0.058 3 0 "[ . 1 .]"
1 29 ASN 0.953 0.122 12 0 "[ . 1 .]"
1 30 LEU 2.292 0.168 2 0 "[ . 1 .]"
1 31 HIS 0.325 0.058 3 0 "[ . 1 .]"
1 32 ASP 0.600 0.050 2 0 "[ . 1 .]"
1 33 VAL 1.712 0.209 14 0 "[ . 1 .]"
1 34 ASP 0.132 0.023 14 0 "[ . 1 .]"
1 35 ASN 0.416 0.050 2 0 "[ . 1 .]"
1 36 HIS 0.325 0.065 8 0 "[ . 1 .]"
1 37 LEU 2.935 0.209 14 0 "[ . 1 .]"
1 38 GLN 1.019 0.071 6 0 "[ . 1 .]"
1 39 ASN 0.581 0.065 8 0 "[ . 1 .]"
1 40 VAL 0.445 0.189 4 0 "[ . 1 .]"
1 41 ILE 0.099 0.067 9 0 "[ . 1 .]"
1 42 GLU 0.504 0.067 9 0 "[ . 1 .]"
1 43 ASP 0.865 0.081 2 0 "[ . 1 .]"
1 44 ILE 0.163 0.037 5 0 "[ . 1 .]"
1 45 HIS 0.533 0.119 2 0 "[ . 1 .]"
1 46 ASP 0.790 0.081 2 0 "[ . 1 .]"
1 47 PHE 0.538 0.119 2 0 "[ . 1 .]"
1 48 MET 0.048 0.040 4 0 "[ . 1 .]"
1 49 GLN 0.019 0.010 6 0 "[ . 1 .]"
1 50 GLY 0.259 0.059 14 0 "[ . 1 .]"
1 51 GLY 0.112 0.062 1 0 "[ . 1 .]"
1 52 GLY 0.103 0.062 1 0 "[ . 1 .]"
1 53 SER 0.121 0.034 2 0 "[ . 1 .]"
1 54 GLY 0.312 0.059 14 0 "[ . 1 .]"
1 55 GLY 0.105 0.030 4 0 "[ . 1 .]"
1 56 LYS 0.107 0.034 2 0 "[ . 1 .]"
1 57 LEU 0.015 0.009 13 0 "[ . 1 .]"
1 58 GLN 1.431 0.116 13 0 "[ . 1 .]"
1 59 GLU 0.298 0.022 7 0 "[ . 1 .]"
1 60 MET 0.131 0.019 6 0 "[ . 1 .]"
1 61 MET 1.314 0.116 13 0 "[ . 1 .]"
1 62 LYS 0.205 0.022 7 0 "[ . 1 .]"
1 63 GLU 0.329 0.051 3 0 "[ . 1 .]"
1 64 PHE 0.199 0.051 3 0 "[ . 1 .]"
1 65 GLN 0.232 0.051 3 0 "[ . 1 .]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 67 VAL 0.732 0.058 1 0 "[ . 1 .]"
1 68 LEU 2.024 0.168 2 0 "[ . 1 .]"
1 69 ASP 0.024 0.020 15 0 "[ . 1 .]"
1 70 GLU 0.761 0.058 1 0 "[ . 1 .]"
1 71 LEU 0.866 0.331 8 0 "[ . 1 .]"
1 72 ASN 0.416 0.063 15 0 "[ . 1 .]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 74 HIS 0.992 0.331 8 0 "[ . 1 .]"
1 75 LEU 1.080 0.063 15 0 "[ . 1 .]"
1 76 GLN 0.814 0.061 8 0 "[ . 1 .]"
1 77 GLY 0.150 0.031 10 0 "[ . 1 .]"
1 78 GLY 0.195 0.050 5 0 "[ . 1 .]"
1 79 LYS 0.435 0.063 15 0 "[ . 1 .]"
1 80 HIS 0.639 0.087 9 0 "[ . 1 .]"
1 81 THR 0.569 0.063 15 0 "[ . 1 .]"
1 82 VAL 0.482 0.057 14 0 "[ . 1 .]"
1 83 HIS 0.655 0.087 9 0 "[ . 1 .]"
1 84 HIS 0.283 0.053 13 0 "[ . 1 .]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 86 GLU 0.121 0.026 15 0 "[ . 1 .]"
1 87 GLN 0.404 0.053 13 0 "[ . 1 .]"
1 88 ASN 0.038 0.037 5 0 "[ . 1 .]"
1 89 ILE 0.011 0.005 4 0 "[ . 1 .]"
1 90 LYS 1.247 0.072 2 0 "[ . 1 .]"
1 91 GLU 0.038 0.037 5 0 "[ . 1 .]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 93 PHE 0.725 0.072 2 0 "[ . 1 .]"
1 94 HIS 0.858 0.070 5 0 "[ . 1 .]"
1 95 HIS 0.144 0.043 9 0 "[ . 1 .]"
1 96 LEU 2.455 0.162 10 0 "[ . 1 .]"
1 97 GLU 0.325 0.031 10 0 "[ . 1 .]"
1 98 GLU 2.074 0.162 10 0 "[ . 1 .]"
1 99 LEU 0.175 0.075 2 0 "[ . 1 .]"
1 100 VAL 0.558 0.063 14 0 "[ . 1 .]"
1 101 HIS 0.109 0.035 14 0 "[ . 1 .]"
1 102 ARG 0.188 0.075 2 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 TYR H 3.000 . 3.800 2.399 2.151 3.567 . 0 0 "[ . 1 .]" 1
2 1 2 TYR H 1 3 GLY H 4.000 . 5.500 4.050 3.066 4.611 . 0 0 "[ . 1 .]" 1
3 1 2 TYR HA 1 3 GLY H 3.000 . 3.800 2.299 2.143 2.793 . 0 0 "[ . 1 .]" 1
4 1 2 TYR QD 1 3 GLY H 4.000 . 5.500 4.408 3.789 4.960 . 0 0 "[ . 1 .]" 1
5 1 3 GLY H 1 4 LYS H 3.000 . 3.800 2.022 1.910 2.681 . 0 0 "[ . 1 .]" 1
6 1 3 GLY QA 1 4 LYS H 3.000 . 3.800 2.837 2.715 2.931 . 0 0 "[ . 1 .]" 1
7 1 4 LYS H 1 5 LEU H 2.500 . 2.900 2.549 2.154 2.730 . 0 0 "[ . 1 .]" 1
8 1 4 LYS H 1 6 ASN H 4.000 . 5.500 4.211 3.932 4.335 . 0 0 "[ . 1 .]" 1
9 1 4 LYS HA 1 5 LEU H 3.000 . 3.800 3.414 3.400 3.432 . 0 0 "[ . 1 .]" 1
10 1 5 LEU H 1 6 ASN H 2.500 . 2.900 2.661 2.632 2.705 . 0 0 "[ . 1 .]" 1
11 1 5 LEU H 1 7 ASP H 4.000 . 5.500 4.481 4.326 4.593 . 0 0 "[ . 1 .]" 1
12 1 6 ASN H 1 7 ASP H 2.500 . 2.900 2.714 2.606 2.801 . 0 0 "[ . 1 .]" 1
13 1 6 ASN H 1 8 LEU H 4.000 . 5.500 4.064 3.963 4.139 . 0 0 "[ . 1 .]" 1
14 1 3 GLY QA 1 6 ASN H 3.000 . 3.800 3.834 3.808 3.866 0.066 6 0 "[ . 1 .]" 1
15 1 4 LYS HA 1 6 ASN H 4.000 . 5.500 3.258 3.214 3.288 . 0 0 "[ . 1 .]" 1
16 1 5 LEU HA 1 6 ASN H 3.000 . 3.800 3.443 3.425 3.460 . 0 0 "[ . 1 .]" 1
17 1 5 LEU QB 1 6 ASN H 3.000 . 3.800 2.997 2.906 3.072 . 0 0 "[ . 1 .]" 1
18 1 5 LEU MD1 1 6 ASN H 4.000 . 5.500 4.139 4.027 4.265 . 0 0 "[ . 1 .]" 1
19 1 7 ASP H 1 9 LEU H 4.000 . 5.500 3.961 3.831 4.055 . 0 0 "[ . 1 .]" 1
20 1 7 ASP H 1 8 LEU H 2.500 . 2.900 2.720 2.648 2.755 . 0 0 "[ . 1 .]" 1
21 1 6 ASN HA 1 7 ASP H 4.000 . 5.500 3.530 3.510 3.549 . 0 0 "[ . 1 .]" 1
22 1 5 LEU HA 1 7 ASP H 4.000 . 5.500 4.144 4.064 4.356 . 0 0 "[ . 1 .]" 1
23 1 4 LYS HA 1 7 ASP H 3.000 . 3.800 3.218 3.045 3.410 . 0 0 "[ . 1 .]" 1
24 1 8 LEU H 1 9 LEU H 2.500 . 2.900 2.271 2.237 2.306 . 0 0 "[ . 1 .]" 1
25 1 8 LEU H 1 10 GLU H 4.000 . 5.500 3.930 3.817 4.115 . 0 0 "[ . 1 .]" 1
26 1 7 ASP HA 1 8 LEU H 3.000 . 3.800 3.474 3.463 3.488 . 0 0 "[ . 1 .]" 1
27 1 6 ASN HA 1 8 LEU H 4.000 . 5.500 3.797 3.728 3.912 . 0 0 "[ . 1 .]" 1
28 1 5 LEU HA 1 8 LEU H 3.000 . 3.800 3.468 3.228 3.577 . 0 0 "[ . 1 .]" 1
29 1 4 LYS HA 1 8 LEU H 4.000 . 5.500 5.473 5.119 5.534 0.034 2 0 "[ . 1 .]" 1
30 1 5 LEU MD2 1 8 LEU H 4.000 . 6.000 4.939 4.783 5.058 . 0 0 "[ . 1 .]" 1
31 1 7 ASP QB 1 8 LEU H 3.000 . 3.800 2.838 2.691 3.460 . 0 0 "[ . 1 .]" 1
32 1 5 LEU MD1 1 8 LEU H 4.000 . 5.500 3.470 3.306 3.915 . 0 0 "[ . 1 .]" 1
33 1 9 LEU H 1 10 GLU H 2.500 . 2.900 2.570 2.496 2.693 . 0 0 "[ . 1 .]" 1
34 1 9 LEU H 1 11 ASP H 4.000 . 5.500 4.400 4.231 4.630 . 0 0 "[ . 1 .]" 1
35 1 8 LEU HA 1 9 LEU H 3.000 . 3.800 3.495 3.476 3.519 . 0 0 "[ . 1 .]" 1
36 1 6 ASN HA 1 9 LEU H 3.000 . 3.800 2.761 2.580 2.826 . 0 0 "[ . 1 .]" 1
37 1 7 ASP HA 1 9 LEU H 4.000 . 5.500 4.321 4.215 4.416 . 0 0 "[ . 1 .]" 1
38 1 10 GLU H 1 11 ASP H 2.500 . 2.900 2.840 2.535 2.906 0.006 6 0 "[ . 1 .]" 1
39 1 10 GLU H 1 12 LEU H 4.000 . 5.500 4.427 4.260 4.621 . 0 0 "[ . 1 .]" 1
40 1 7 ASP HA 1 10 GLU H 3.000 . 3.800 3.772 3.690 3.818 0.018 13 0 "[ . 1 .]" 1
41 1 6 ASN HA 1 10 GLU H 4.000 . 5.500 4.004 3.606 4.515 . 0 0 "[ . 1 .]" 1
42 1 9 LEU HA 1 10 GLU H 3.000 . 3.800 3.503 3.394 3.542 . 0 0 "[ . 1 .]" 1
43 1 9 LEU MD1 1 10 GLU H 4.000 . 5.500 4.706 4.512 5.110 . 0 0 "[ . 1 .]" 1
44 1 9 LEU MD2 1 10 GLU H 4.000 . 5.500 4.545 4.032 4.829 . 0 0 "[ . 1 .]" 1
45 1 9 LEU QB 1 10 GLU H 3.000 . 3.800 2.785 2.631 3.181 . 0 0 "[ . 1 .]" 1
46 1 9 LEU HG 1 10 GLU H 4.000 . 5.500 4.944 4.758 5.275 . 0 0 "[ . 1 .]" 1
47 1 11 ASP H 1 12 LEU H . . 2.900 2.834 2.604 2.917 0.017 14 0 "[ . 1 .]" 1
48 1 11 ASP H 1 13 GLN H 4.000 . 5.500 4.642 4.074 4.798 . 0 0 "[ . 1 .]" 1
49 1 10 GLU HA 1 11 ASP H 3.000 . 3.800 3.543 3.500 3.566 . 0 0 "[ . 1 .]" 1
50 1 9 LEU HA 1 11 ASP H 4.000 . 5.500 4.235 3.786 4.496 . 0 0 "[ . 1 .]" 1
51 1 8 LEU HA 1 11 ASP H 4.000 . 5.500 3.680 3.400 3.978 . 0 0 "[ . 1 .]" 1
52 1 7 ASP HA 1 11 ASP H 4.000 . 5.500 5.353 5.059 5.526 0.026 14 0 "[ . 1 .]" 1
53 1 12 LEU H 1 13 GLN H 2.500 . 2.900 2.923 2.896 2.939 0.039 8 0 "[ . 1 .]" 1
54 1 12 LEU H 1 14 GLU H 4.000 . 5.500 4.053 3.958 4.233 . 0 0 "[ . 1 .]" 1
55 1 8 LEU HA 1 12 LEU H 4.000 . 5.500 5.395 5.161 5.541 0.041 4 0 "[ . 1 .]" 1
56 1 11 ASP HA 1 12 LEU H 4.000 . 5.500 3.538 3.516 3.556 . 0 0 "[ . 1 .]" 1
57 1 10 GLU HA 1 12 LEU H 4.000 . 5.500 4.378 4.108 4.834 . 0 0 "[ . 1 .]" 1
58 1 9 LEU HA 1 12 LEU H 3.000 . 3.800 3.531 3.152 3.696 . 0 0 "[ . 1 .]" 1
59 1 11 ASP QB 1 12 LEU H 3.000 . 3.800 2.554 2.375 2.705 . 0 0 "[ . 1 .]" 1
60 1 13 GLN H 1 14 GLU H 2.500 . 2.900 2.795 2.555 2.905 0.005 6 0 "[ . 1 .]" 1
61 1 13 GLN H 1 15 VAL H 4.000 . 5.500 3.981 3.817 4.033 . 0 0 "[ . 1 .]" 1
62 1 11 ASP HA 1 13 GLN H 4.000 . 5.500 4.907 4.403 5.023 . 0 0 "[ . 1 .]" 1
63 1 12 LEU HA 1 13 GLN H 3.000 . 3.800 3.560 3.550 3.568 . 0 0 "[ . 1 .]" 1
64 1 10 GLU HA 1 13 GLN H 3.000 . 3.800 3.647 3.403 3.818 0.018 5 0 "[ . 1 .]" 1
65 1 12 LEU QB 1 13 GLN H 3.000 . 3.800 2.820 2.673 3.104 . 0 0 "[ . 1 .]" 1
66 1 14 GLU H 1 15 VAL H 2.500 . 2.900 2.391 2.364 2.433 . 0 0 "[ . 1 .]" 1
67 1 10 GLU HA 1 14 GLU H 4.000 . 5.500 4.188 4.030 4.370 . 0 0 "[ . 1 .]" 1
68 1 11 ASP HA 1 14 GLU H 3.000 . 3.800 3.619 3.392 3.749 . 0 0 "[ . 1 .]" 1
69 1 12 LEU HA 1 14 GLU H 4.000 . 5.500 4.314 4.206 4.540 . 0 0 "[ . 1 .]" 1
70 1 13 GLN QB 1 14 GLU H 3.000 . 3.400 2.665 2.582 2.716 . 0 0 "[ . 1 .]" 1
71 1 15 VAL H 1 16 LEU H 2.500 . 2.900 2.518 2.438 2.554 . 0 0 "[ . 1 .]" 1
72 1 15 VAL H 1 17 LYS H 4.000 . 5.500 4.158 4.045 4.272 . 0 0 "[ . 1 .]" 1
73 1 14 GLU HA 1 15 VAL H 3.000 . 3.800 3.466 3.434 3.480 . 0 0 "[ . 1 .]" 1
74 1 12 LEU HA 1 15 VAL H 3.000 . 3.800 3.285 3.157 3.577 . 0 0 "[ . 1 .]" 1
75 1 11 ASP HA 1 15 VAL H 4.000 . 5.500 4.084 3.828 4.275 . 0 0 "[ . 1 .]" 1
76 1 14 GLU QG 1 15 VAL H 4.000 . 5.500 4.207 2.526 4.628 . 0 0 "[ . 1 .]" 1
77 1 12 LEU MD2 1 15 VAL H 4.000 . 5.500 5.083 4.480 5.267 . 0 0 "[ . 1 .]" 1
78 1 14 GLU H 1 16 LEU H 4.000 . 5.500 3.937 3.880 4.030 . 0 0 "[ . 1 .]" 1
79 1 16 LEU H 1 17 LYS H . . 2.900 2.602 2.496 2.690 . 0 0 "[ . 1 .]" 1
80 1 16 LEU H 1 18 ASN H 4.000 . 5.500 4.317 4.162 4.446 . 0 0 "[ . 1 .]" 1
81 1 15 VAL HA 1 16 LEU H 3.000 . 3.800 3.466 3.436 3.494 . 0 0 "[ . 1 .]" 1
82 1 14 GLU HA 1 16 LEU H 4.000 . 5.500 3.867 3.710 4.034 . 0 0 "[ . 1 .]" 1
83 1 12 LEU HA 1 16 LEU H 4.000 . 5.800 4.484 4.318 4.820 . 0 0 "[ . 1 .]" 1
84 1 13 GLN HA 1 16 LEU H . . 3.800 3.538 3.486 3.599 . 0 0 "[ . 1 .]" 1
85 1 15 VAL HB 1 16 LEU H 3.000 . 3.800 3.778 3.662 3.834 0.034 5 0 "[ . 1 .]" 1
86 1 12 LEU MD1 1 16 LEU H 4.000 . 5.500 5.512 5.326 5.552 0.052 8 0 "[ . 1 .]" 1
87 1 15 VAL MG2 1 16 LEU H 4.000 . 5.500 4.175 4.106 4.218 . 0 0 "[ . 1 .]" 1
88 1 15 VAL MG1 1 16 LEU H 4.000 . 5.500 2.377 2.269 2.465 . 0 0 "[ . 1 .]" 1
89 1 17 LYS H 1 18 ASN H 2.500 . 2.900 2.851 2.788 2.909 0.009 7 0 "[ . 1 .]" 1
90 1 17 LYS H 1 19 LEU H 4.000 . 5.500 4.229 4.050 4.460 . 0 0 "[ . 1 .]" 1
91 1 16 LEU HA 1 17 LYS H 3.000 . 3.800 3.513 3.482 3.536 . 0 0 "[ . 1 .]" 1
92 1 14 GLU HA 1 17 LYS H 3.000 . 3.800 3.340 3.224 3.486 . 0 0 "[ . 1 .]" 1
93 1 15 VAL HA 1 17 LYS H 4.000 . 5.500 4.023 3.840 4.165 . 0 0 "[ . 1 .]" 1
94 1 13 GLN HA 1 17 LYS H 4.000 . 5.500 5.215 5.044 5.388 . 0 0 "[ . 1 .]" 1
95 1 16 LEU QB 1 17 LYS H 3.000 . 3.800 2.730 2.587 2.873 . 0 0 "[ . 1 .]" 1
96 1 18 ASN H 1 19 LEU H 3.000 . 3.800 2.494 2.367 2.633 . 0 0 "[ . 1 .]" 1
97 1 18 ASN H 1 20 HIS H 4.000 . 5.500 4.148 3.911 4.428 . 0 0 "[ . 1 .]" 1
98 1 17 LYS HA 1 18 ASN H 3.000 . 3.800 3.510 3.484 3.535 . 0 0 "[ . 1 .]" 1
99 1 15 VAL HA 1 18 ASN H 4.000 . 5.500 3.686 3.534 3.902 . 0 0 "[ . 1 .]" 1
100 1 14 GLU HA 1 18 ASN H 4.000 . 5.500 5.569 5.541 5.590 0.090 3 0 "[ . 1 .]" 1
101 1 16 LEU HA 1 18 ASN H 4.000 . 5.500 3.911 3.670 4.080 . 0 0 "[ . 1 .]" 1
102 1 15 VAL MG1 1 18 ASN H 4.000 . 5.500 4.747 4.660 4.893 . 0 0 "[ . 1 .]" 1
103 1 16 LEU MD2 1 18 ASN H 4.000 . 5.500 5.502 5.431 5.533 0.033 13 0 "[ . 1 .]" 1
104 1 17 LYS QB 1 18 ASN H 3.000 . 3.800 2.583 2.452 2.721 . 0 0 "[ . 1 .]" 1
105 1 17 LYS QG 1 18 ASN H 4.000 . 5.500 3.913 3.705 4.146 . 0 0 "[ . 1 .]" 1
106 1 19 LEU H 1 21 LYS H 4.000 . 5.500 4.363 4.105 4.483 . 0 0 "[ . 1 .]" 1
107 1 19 LEU H 1 20 HIS H 3.000 . 3.800 2.897 2.725 3.068 . 0 0 "[ . 1 .]" 1
108 1 18 ASN HA 1 19 LEU H 3.000 . 3.800 3.516 3.492 3.534 . 0 0 "[ . 1 .]" 1
109 1 16 LEU HA 1 19 LEU H 3.000 . 3.800 2.913 2.727 3.006 . 0 0 "[ . 1 .]" 1
110 1 17 LYS HA 1 19 LEU H 4.000 . 5.500 4.602 4.367 4.810 . 0 0 "[ . 1 .]" 1
111 1 15 VAL HA 1 19 LEU H 4.000 . 5.500 5.021 4.844 5.193 . 0 0 "[ . 1 .]" 1
112 1 17 LYS QE 1 19 LEU H 4.000 . 5.500 5.398 4.871 5.531 0.031 13 0 "[ . 1 .]" 1
113 1 18 ASN QB 1 19 LEU H 4.000 . 5.500 2.539 2.357 2.683 . 0 0 "[ . 1 .]" 1
114 1 16 LEU MD1 1 19 LEU H 4.000 . 5.500 4.049 3.860 4.172 . 0 0 "[ . 1 .]" 1
115 1 20 HIS H 1 21 LYS H 3.000 . 3.800 2.840 2.640 2.929 . 0 0 "[ . 1 .]" 1
116 1 20 HIS H 1 22 ASN H 4.000 . 5.500 4.175 4.075 4.359 . 0 0 "[ . 1 .]" 1
117 1 19 LEU HA 1 20 HIS H 3.000 . 3.800 3.541 3.485 3.576 . 0 0 "[ . 1 .]" 1
118 1 18 ASN HA 1 20 HIS H 4.000 . 5.500 4.300 3.871 4.771 . 0 0 "[ . 1 .]" 1
119 1 17 LYS HA 1 20 HIS H 4.000 . 5.500 3.780 3.434 4.050 . 0 0 "[ . 1 .]" 1
120 1 16 LEU HA 1 20 HIS H 4.000 . 5.500 4.204 3.977 4.349 . 0 0 "[ . 1 .]" 1
121 1 19 LEU QB 1 20 HIS H 3.000 . 3.800 2.946 2.668 3.219 . 0 0 "[ . 1 .]" 1
122 1 21 LYS H 1 22 ASN H 2.500 . 2.900 2.554 2.261 2.699 . 0 0 "[ . 1 .]" 1
123 1 21 LYS H 1 23 TRP H 4.000 . 5.500 4.100 3.697 4.344 . 0 0 "[ . 1 .]" 1
124 1 18 ASN HA 1 21 LYS H 3.000 . 3.800 3.661 3.456 3.811 0.011 10 0 "[ . 1 .]" 1
125 1 19 LEU HA 1 21 LYS H 4.000 . 5.500 4.071 3.743 4.276 . 0 0 "[ . 1 .]" 1
126 1 20 HIS HA 1 21 LYS H 3.000 . 3.800 3.508 3.398 3.538 . 0 0 "[ . 1 .]" 1
127 1 17 LYS HA 1 21 LYS H 4.000 . 5.500 5.393 5.137 5.526 0.026 3 0 "[ . 1 .]" 1
128 1 17 LYS QG 1 21 LYS H 4.000 . 5.500 5.497 5.432 5.526 0.026 13 0 "[ . 1 .]" 1
129 1 20 HIS QB 1 21 LYS H 3.000 . 3.800 2.742 2.533 3.778 . 0 0 "[ . 1 .]" 1
130 1 22 ASN H 1 23 TRP H . . 2.900 1.951 1.812 2.377 . 0 0 "[ . 1 .]" 1
131 1 19 LEU HA 1 22 ASN H 3.000 . 3.800 3.385 3.172 3.612 . 0 0 "[ . 1 .]" 1
132 1 21 LYS HA 1 22 ASN H 3.000 . 3.800 3.282 3.122 3.453 . 0 0 "[ . 1 .]" 1
133 1 20 HIS HA 1 22 ASN H 4.000 . 5.500 3.967 3.776 4.363 . 0 0 "[ . 1 .]" 1
134 1 18 ASN HA 1 22 ASN H 4.000 . 5.500 5.388 4.943 5.524 0.024 1 0 "[ . 1 .]" 1
135 1 21 LYS QG 1 22 ASN H 4.000 . 5.500 4.173 3.870 4.263 . 0 0 "[ . 1 .]" 1
136 1 21 LYS QB 1 22 ASN H 3.000 . 3.800 3.441 2.979 3.692 . 0 0 "[ . 1 .]" 1
137 1 23 TRP H 1 24 HIS H 4.000 . 5.500 2.469 2.256 2.691 . 0 0 "[ . 1 .]" 1
138 1 22 ASN HA 1 23 TRP H 3.000 . 3.800 3.211 2.934 3.485 . 0 0 "[ . 1 .]" 1
139 1 19 LEU HA 1 23 TRP H 4.000 . 5.500 4.044 3.458 4.514 . 0 0 "[ . 1 .]" 1
140 1 20 HIS HA 1 23 TRP H 3.000 . 3.800 3.832 3.626 3.877 0.077 1 0 "[ . 1 .]" 1
141 1 21 LYS HA 1 23 TRP H 4.000 . 5.500 4.289 4.155 4.598 . 0 0 "[ . 1 .]" 1
142 1 19 LEU MD2 1 23 TRP H 4.000 . 5.500 4.788 4.236 5.234 . 0 0 "[ . 1 .]" 1
143 1 22 ASN QB 1 23 TRP H 3.000 . 3.800 3.528 3.099 3.780 . 0 0 "[ . 1 .]" 1
144 1 21 LYS QE 1 23 TRP HE1 4.000 . 6.000 6.112 6.095 6.160 0.160 10 0 "[ . 1 .]" 1
145 1 23 TRP HA 1 24 HIS H 3.000 . 3.800 3.514 3.462 3.580 . 0 0 "[ . 1 .]" 1
146 1 24 HIS H 1 25 GLY H 3.000 . 3.800 2.296 2.154 2.469 . 0 0 "[ . 1 .]" 1
147 1 25 GLY H 1 26 GLY H 4.000 . 5.500 3.800 2.927 4.515 . 0 0 "[ . 1 .]" 1
148 1 24 HIS HA 1 25 GLY H 3.000 . 3.800 3.308 2.556 3.566 . 0 0 "[ . 1 .]" 1
149 1 23 TRP HA 1 25 GLY H 4.000 . 5.500 5.501 5.326 5.536 0.036 10 0 "[ . 1 .]" 1
150 1 24 HIS QB 1 25 GLY H 4.000 . 5.500 2.797 2.304 4.003 . 0 0 "[ . 1 .]" 1
151 1 23 TRP HE1 1 25 GLY H 4.000 . 5.500 3.901 3.184 5.526 0.026 3 0 "[ . 1 .]" 1
152 1 24 HIS HD2 1 25 GLY H 3.000 . 3.800 3.749 3.388 3.894 0.094 4 0 "[ . 1 .]" 1
153 1 25 GLY QA 1 26 GLY H 3.000 . 3.800 2.148 2.058 2.265 . 0 0 "[ . 1 .]" 1
154 1 23 TRP HE1 1 26 GLY H 4.000 . 5.500 4.926 3.549 5.589 0.089 4 0 "[ . 1 .]" 1
155 1 26 GLY H 1 27 LYS H 3.000 . 4.000 3.747 3.188 4.063 0.063 2 0 "[ . 1 .]" 1
156 1 27 LYS H 1 28 ASP H 3.000 . 3.800 2.553 2.222 2.799 . 0 0 "[ . 1 .]" 1
157 1 27 LYS H 1 29 ASN H 4.000 . 5.500 4.619 4.247 5.087 . 0 0 "[ . 1 .]" 1
158 1 26 GLY QA 1 27 LYS H 3.000 . 3.800 2.153 2.067 2.341 . 0 0 "[ . 1 .]" 1
159 1 28 ASP H 1 29 ASN H 3.000 . 3.800 2.867 2.643 3.150 . 0 0 "[ . 1 .]" 1
160 1 28 ASP H 1 30 LEU H 4.000 . 5.500 4.109 3.691 4.379 . 0 0 "[ . 1 .]" 1
161 1 27 LYS HA 1 28 ASP H 3.000 . 3.800 3.431 3.375 3.471 . 0 0 "[ . 1 .]" 1
162 1 26 GLY QA 1 28 ASP H 4.000 . 5.500 3.074 2.892 3.254 . 0 0 "[ . 1 .]" 1
163 1 27 LYS QB 1 28 ASP H 3.000 . 3.800 3.095 2.941 3.251 . 0 0 "[ . 1 .]" 1
164 1 27 LYS QG 1 28 ASP H 4.000 . 5.500 3.867 3.356 4.258 . 0 0 "[ . 1 .]" 1
165 1 29 ASN H 1 30 LEU H 3.000 . 3.800 2.421 2.287 2.572 . 0 0 "[ . 1 .]" 1
166 1 29 ASN H 1 31 HIS H 4.000 . 5.500 3.800 3.603 4.084 . 0 0 "[ . 1 .]" 1
167 1 25 GLY QA 1 29 ASN H 4.000 . 6.000 5.825 5.085 6.122 0.122 12 0 "[ . 1 .]" 1
168 1 28 ASP HA 1 29 ASN H 3.000 . 3.800 3.539 3.490 3.580 . 0 0 "[ . 1 .]" 1
169 1 27 LYS QG 1 29 ASN H 4.000 . 5.500 5.019 4.657 5.513 0.013 3 0 "[ . 1 .]" 1
170 1 28 ASP QB 1 29 ASN H 3.000 . 3.800 2.767 2.238 3.515 . 0 0 "[ . 1 .]" 1
171 1 30 LEU H 1 31 HIS H 3.000 . 3.800 2.535 2.343 2.665 . 0 0 "[ . 1 .]" 1
172 1 30 LEU H 1 32 ASP H 4.000 . 5.500 4.507 4.179 4.820 . 0 0 "[ . 1 .]" 1
173 1 28 ASP HA 1 30 LEU H 4.000 . 5.500 4.634 4.197 4.916 . 0 0 "[ . 1 .]" 1
174 1 27 LYS HA 1 30 LEU H 4.000 . 5.500 3.018 2.846 3.222 . 0 0 "[ . 1 .]" 1
175 1 29 ASN HA 1 30 LEU H 3.000 . 3.800 3.516 3.417 3.564 . 0 0 "[ . 1 .]" 1
176 1 23 TRP HE1 1 30 LEU H 4.000 . 5.500 2.292 2.040 2.682 . 0 0 "[ . 1 .]" 1
177 1 29 ASN QB 1 30 LEU H . . 3.800 2.686 2.373 3.096 . 0 0 "[ . 1 .]" 1
178 1 27 LYS QG 1 30 LEU H 3.000 . 4.200 4.207 4.057 4.248 0.048 2 0 "[ . 1 .]" 1
179 1 20 HIS H 1 30 LEU MD2 4.000 . 5.500 4.390 3.868 5.092 . 0 0 "[ . 1 .]" 1
180 1 23 TRP QB 1 30 LEU MD2 4.000 . 5.500 2.205 1.907 2.506 . 0 0 "[ . 1 .]" 1
181 1 19 LEU HA 1 30 LEU MD2 4.000 . 5.500 5.018 4.526 5.486 . 0 0 "[ . 1 .]" 1
182 1 20 HIS HA 1 30 LEU MD2 4.000 . 5.500 3.108 2.578 3.776 . 0 0 "[ . 1 .]" 1
183 1 30 LEU MD2 1 68 LEU HG 4.000 . 5.500 5.634 5.566 5.668 0.168 2 0 "[ . 1 .]" 1
184 1 19 LEU HG 1 30 LEU MD2 4.000 . 5.500 2.358 1.926 2.750 . 0 0 "[ . 1 .]" 1
185 1 19 LEU QB 1 30 LEU MD2 4.000 . 5.500 4.026 3.738 4.411 . 0 0 "[ . 1 .]" 1
186 1 30 LEU MD2 1 33 VAL HB 4.000 . 5.500 2.635 1.953 3.602 . 0 0 "[ . 1 .]" 1
187 1 30 LEU MD2 1 71 LEU MD1 4.000 . 5.500 2.864 2.034 3.185 . 0 0 "[ . 1 .]" 1
188 1 19 LEU MD2 1 30 LEU MD2 4.000 . 5.500 2.102 1.798 2.846 0.002 13 0 "[ . 1 .]" 1
189 1 19 LEU MD1 1 30 LEU MD2 4.000 . 5.500 2.225 2.015 2.455 . 0 0 "[ . 1 .]" 1
190 1 20 HIS QB 1 30 LEU MD2 4.000 . 6.000 4.577 3.371 5.159 . 0 0 "[ . 1 .]" 1
191 1 31 HIS H 1 32 ASP H 3.000 . 3.800 2.927 2.803 3.063 . 0 0 "[ . 1 .]" 1
192 1 31 HIS H 1 33 VAL H 4.000 . 5.500 3.974 3.833 4.143 . 0 0 "[ . 1 .]" 1
193 1 29 ASN HA 1 31 HIS H 4.000 . 5.500 4.052 3.883 4.229 . 0 0 "[ . 1 .]" 1
194 1 30 LEU HA 1 31 HIS H 3.000 . 3.800 3.491 3.471 3.511 . 0 0 "[ . 1 .]" 1
195 1 28 ASP HA 1 31 HIS H 3.000 . 3.800 3.783 3.479 3.858 0.058 3 0 "[ . 1 .]" 1
196 1 27 LYS HA 1 31 HIS H 4.000 . 5.500 3.673 3.443 3.925 . 0 0 "[ . 1 .]" 1
197 1 30 LEU HG 1 31 HIS H 4.000 . 5.500 5.147 4.887 5.307 . 0 0 "[ . 1 .]" 1
198 1 30 LEU MD1 1 31 HIS H 4.000 . 5.500 3.550 3.241 4.015 . 0 0 "[ . 1 .]" 1
199 1 30 LEU QB 1 31 HIS H 3.000 . 3.800 2.751 2.612 2.857 . 0 0 "[ . 1 .]" 1
200 1 30 LEU MD2 1 31 HIS H 4.000 . 5.500 4.678 4.567 4.767 . 0 0 "[ . 1 .]" 1
201 1 32 ASP H 1 34 ASP H 4.000 . 5.500 4.523 4.139 4.827 . 0 0 "[ . 1 .]" 1
202 1 29 ASN HA 1 32 ASP H 3.000 . 3.800 3.816 3.768 3.843 0.043 2 0 "[ . 1 .]" 1
203 1 31 HIS HA 1 32 ASP H 3.000 . 3.800 3.546 3.515 3.574 . 0 0 "[ . 1 .]" 1
204 1 31 HIS QB 1 32 ASP H 3.000 . 3.800 2.504 2.192 2.802 . 0 0 "[ . 1 .]" 1
205 1 32 ASP H 1 33 VAL H 2.500 . 2.900 2.533 2.420 2.667 . 0 0 "[ . 1 .]" 1
206 1 33 VAL H 1 35 ASN H 4.000 . 5.500 3.428 3.308 3.605 . 0 0 "[ . 1 .]" 1
207 1 33 VAL H 1 34 ASP H . . 2.900 2.566 2.352 2.774 . 0 0 "[ . 1 .]" 1
208 1 29 ASN HA 1 33 VAL H 4.000 . 5.500 5.289 5.125 5.498 . 0 0 "[ . 1 .]" 1
209 1 32 ASP HA 1 33 VAL H 3.000 . 3.800 3.439 3.416 3.464 . 0 0 "[ . 1 .]" 1
210 1 31 HIS HA 1 33 VAL H 4.000 . 5.500 4.052 3.905 4.203 . 0 0 "[ . 1 .]" 1
211 1 30 LEU HA 1 33 VAL H 3.000 . 3.800 3.087 2.957 3.227 . 0 0 "[ . 1 .]" 1
212 1 32 ASP QB 1 33 VAL H 3.000 . 3.800 3.023 2.879 3.097 . 0 0 "[ . 1 .]" 1
213 1 30 LEU MD1 1 33 VAL H 4.000 . 5.500 3.529 3.307 3.750 . 0 0 "[ . 1 .]" 1
214 1 34 ASP H 1 35 ASN H 2.500 . 2.900 2.585 2.479 2.671 . 0 0 "[ . 1 .]" 1
215 1 34 ASP H 1 36 HIS H 4.000 . 5.500 4.210 3.993 4.349 . 0 0 "[ . 1 .]" 1
216 1 33 VAL HA 1 34 ASP H 3.000 . 3.800 3.583 3.553 3.598 . 0 0 "[ . 1 .]" 1
217 1 30 LEU HA 1 34 ASP H 4.000 . 5.500 3.628 3.542 3.778 . 0 0 "[ . 1 .]" 1
218 1 31 HIS HA 1 34 ASP H 3.000 . 3.800 3.782 3.645 3.823 0.023 14 0 "[ . 1 .]" 1
219 1 30 LEU MD2 1 34 ASP H 4.000 . 5.500 3.361 2.979 3.757 . 0 0 "[ . 1 .]" 1
220 1 30 LEU MD1 1 34 ASP H 4.000 . 5.500 1.944 1.785 2.211 0.015 12 0 "[ . 1 .]" 1
221 1 33 VAL MG1 1 34 ASP H 3.000 . 3.800 2.147 1.929 2.451 . 0 0 "[ . 1 .]" 1
222 1 33 VAL MG2 1 34 ASP H 4.000 . 5.500 3.932 3.816 4.030 . 0 0 "[ . 1 .]" 1
223 1 33 VAL HB 1 34 ASP H 3.000 . 3.800 2.943 2.428 3.684 . 0 0 "[ . 1 .]" 1
224 1 35 ASN H 1 36 HIS H 2.500 . 2.900 2.600 2.539 2.673 . 0 0 "[ . 1 .]" 1
225 1 35 ASN H 1 37 LEU H 4.000 . 5.500 4.053 3.913 4.561 . 0 0 "[ . 1 .]" 1
226 1 31 HIS HA 1 35 ASN H 4.000 . 5.500 3.684 3.518 3.914 . 0 0 "[ . 1 .]" 1
227 1 34 ASP HA 1 35 ASN H 3.000 . 3.800 3.474 3.442 3.520 . 0 0 "[ . 1 .]" 1
228 1 33 VAL HA 1 35 ASN H 4.000 . 5.500 4.080 3.941 4.449 . 0 0 "[ . 1 .]" 1
229 1 32 ASP HA 1 35 ASN H 3.000 . 3.800 3.808 3.600 3.850 0.050 2 0 "[ . 1 .]" 1
230 1 34 ASP QB 1 35 ASN H 4.000 . 5.500 3.105 2.901 3.191 . 0 0 "[ . 1 .]" 1
231 1 36 HIS H 1 37 LEU H 3.000 . 3.800 2.565 2.408 2.791 . 0 0 "[ . 1 .]" 1
232 1 36 HIS H 1 38 GLN H 4.000 . 5.500 4.477 3.725 4.595 . 0 0 "[ . 1 .]" 1
233 1 35 ASN HA 1 36 HIS H 3.000 . 3.800 3.495 3.462 3.527 . 0 0 "[ . 1 .]" 1
234 1 33 VAL HA 1 36 HIS H 3.000 . 3.800 3.620 3.475 3.820 0.020 4 0 "[ . 1 .]" 1
235 1 34 ASP HA 1 36 HIS H 4.000 . 5.500 3.859 3.603 4.061 . 0 0 "[ . 1 .]" 1
236 1 35 ASN QB 1 36 HIS H 3.000 . 3.800 2.707 2.567 2.863 . 0 0 "[ . 1 .]" 1
237 1 37 LEU H 1 38 GLN H 3.000 . 3.800 2.938 2.386 3.111 . 0 0 "[ . 1 .]" 1
238 1 34 ASP HA 1 37 LEU H 3.000 . 3.800 2.852 2.665 3.260 . 0 0 "[ . 1 .]" 1
239 1 33 VAL HA 1 37 LEU H 4.000 . 5.500 4.933 4.554 5.509 0.009 4 0 "[ . 1 .]" 1
240 1 36 HIS HA 1 37 LEU H 3.000 . 3.800 3.526 3.474 3.553 . 0 0 "[ . 1 .]" 1
241 1 36 HIS QB 1 37 LEU H 4.000 . 5.500 2.584 2.435 2.833 . 0 0 "[ . 1 .]" 1
242 1 33 VAL MG2 1 37 LEU H 4.000 . 5.500 5.560 5.186 5.709 0.209 14 0 "[ . 1 .]" 1
243 1 38 GLN H 1 39 ASN H 2.500 . 2.900 2.885 2.661 2.925 0.025 1 0 "[ . 1 .]" 1
244 1 38 GLN H 1 40 VAL H 4.000 . 5.500 4.082 3.701 4.200 . 0 0 "[ . 1 .]" 1
245 1 35 ASN HA 1 38 GLN H 3.000 . 3.800 3.710 3.107 3.828 0.028 3 0 "[ . 1 .]" 1
246 1 37 LEU HA 1 38 GLN H 3.000 . 3.800 3.556 3.496 3.566 . 0 0 "[ . 1 .]" 1
247 1 36 HIS HA 1 38 GLN H 4.000 . 5.500 5.121 4.465 5.213 . 0 0 "[ . 1 .]" 1
248 1 34 ASP HA 1 38 GLN H 4.000 . 5.500 3.758 3.435 4.257 . 0 0 "[ . 1 .]" 1
249 1 37 LEU MD2 1 38 GLN H 4.000 . 5.500 4.446 3.598 4.537 . 0 0 "[ . 1 .]" 1
250 1 37 LEU HG 1 38 GLN H 3.000 . 3.800 3.757 2.345 3.871 0.071 6 0 "[ . 1 .]" 1
251 1 37 LEU QB 1 38 GLN H 3.000 . 3.800 1.997 1.853 3.364 . 0 0 "[ . 1 .]" 1
252 1 39 ASN H 1 40 VAL H 2.500 . 2.900 2.547 2.311 2.675 . 0 0 "[ . 1 .]" 1
253 1 39 ASN H 1 41 ILE H 4.000 . 5.500 4.335 4.033 4.636 . 0 0 "[ . 1 .]" 1
254 1 37 LEU H 1 39 ASN H 4.000 . 5.500 4.028 3.715 4.167 . 0 0 "[ . 1 .]" 1
255 1 36 HIS HA 1 39 ASN H 3.000 . 3.800 3.800 3.704 3.865 0.065 8 0 "[ . 1 .]" 1
256 1 35 ASN HA 1 39 ASN H 4.000 . 5.500 3.835 3.576 4.054 . 0 0 "[ . 1 .]" 1
257 1 38 GLN HA 1 39 ASN H 3.000 . 3.800 3.533 3.498 3.549 . 0 0 "[ . 1 .]" 1
258 1 38 GLN QG 1 39 ASN H 4.000 . 5.500 3.907 2.036 4.447 . 0 0 "[ . 1 .]" 1
259 1 38 GLN QB 1 39 ASN H 3.000 . 3.800 2.745 2.522 3.557 . 0 0 "[ . 1 .]" 1
260 1 40 VAL H 1 41 ILE H 2.500 . 2.900 2.584 2.427 2.764 . 0 0 "[ . 1 .]" 1
261 1 40 VAL H 1 42 GLU H 4.000 . 5.500 4.137 3.932 4.291 . 0 0 "[ . 1 .]" 1
262 1 36 HIS HA 1 40 VAL H 4.000 . 5.500 4.561 4.334 4.813 . 0 0 "[ . 1 .]" 1
263 1 37 LEU HA 1 40 VAL H 3.000 . 3.800 3.387 2.764 3.593 . 0 0 "[ . 1 .]" 1
264 1 39 ASN HA 1 40 VAL H 3.000 . 3.800 3.468 3.430 3.493 . 0 0 "[ . 1 .]" 1
265 1 39 ASN QB 1 40 VAL H 3.000 . 3.800 2.904 2.769 3.111 . 0 0 "[ . 1 .]" 1
266 1 37 LEU MD2 1 40 VAL H 4.000 . 5.500 5.530 5.502 5.689 0.189 4 0 "[ . 1 .]" 1
267 1 41 ILE H 1 42 GLU H 3.000 . 3.800 2.904 2.798 3.044 . 0 0 "[ . 1 .]" 1
268 1 41 ILE H 1 43 ASP H 4.000 . 5.500 4.148 3.994 4.310 . 0 0 "[ . 1 .]" 1
269 1 40 VAL HA 1 41 ILE H 3.000 . 3.800 3.549 3.521 3.567 . 0 0 "[ . 1 .]" 1
270 1 38 GLN HA 1 41 ILE H 3.000 . 3.800 3.437 3.273 3.674 . 0 0 "[ . 1 .]" 1
271 1 37 LEU MD1 1 41 ILE H 4.000 . 5.500 3.237 3.000 3.345 . 0 0 "[ . 1 .]" 1
272 1 40 VAL HB 1 41 ILE H 3.000 . 3.800 2.487 2.166 2.772 . 0 0 "[ . 1 .]" 1
273 1 40 VAL MG2 1 41 ILE H 4.000 . 5.500 3.779 3.523 3.989 . 0 0 "[ . 1 .]" 1
274 1 40 VAL MG1 1 41 ILE H 4.000 . 5.500 3.390 3.204 3.538 . 0 0 "[ . 1 .]" 1
275 1 42 GLU H 1 43 ASP H 2.500 . 2.900 2.457 2.393 2.519 . 0 0 "[ . 1 .]" 1
276 1 42 GLU H 1 44 ILE H 3.000 . 3.800 3.792 3.706 3.837 0.037 5 0 "[ . 1 .]" 1
277 1 41 ILE HA 1 42 GLU H 3.000 . 3.800 3.527 3.499 3.561 . 0 0 "[ . 1 .]" 1
278 1 39 ASN HA 1 42 GLU H 3.000 . 3.800 3.768 3.649 3.834 0.034 11 0 "[ . 1 .]" 1
279 1 40 VAL HA 1 42 GLU H 4.000 . 5.500 4.064 3.852 4.384 . 0 0 "[ . 1 .]" 1
280 1 41 ILE HB 1 42 GLU H 3.000 . 3.800 3.276 2.497 3.867 0.067 9 0 "[ . 1 .]" 1
281 1 43 ASP H 1 44 ILE H 2.500 . 2.900 2.368 2.272 2.577 . 0 0 "[ . 1 .]" 1
282 1 43 ASP H 1 45 HIS H 4.000 . 5.500 4.041 3.692 4.313 . 0 0 "[ . 1 .]" 1
283 1 42 GLU HA 1 43 ASP H 3.000 . 3.800 3.478 3.434 3.534 . 0 0 "[ . 1 .]" 1
284 1 40 VAL HA 1 43 ASP H 3.000 . 3.800 3.109 2.937 3.268 . 0 0 "[ . 1 .]" 1
285 1 40 VAL MG2 1 43 ASP H 4.000 . 5.500 4.958 4.790 5.107 . 0 0 "[ . 1 .]" 1
286 1 40 VAL MG1 1 43 ASP H 4.000 . 5.500 3.963 3.711 4.117 . 0 0 "[ . 1 .]" 1
287 1 42 GLU QB 1 43 ASP H 3.000 . 3.800 3.304 2.540 3.592 . 0 0 "[ . 1 .]" 1
288 1 42 GLU QG 1 43 ASP H 3.000 . 3.800 2.587 2.069 3.828 0.028 8 0 "[ . 1 .]" 1
289 1 44 ILE H 1 45 HIS H . . 2.900 2.397 2.234 2.554 . 0 0 "[ . 1 .]" 1
290 1 40 VAL HA 1 44 ILE H 4.000 . 5.500 4.100 3.942 4.330 . 0 0 "[ . 1 .]" 1
291 1 41 ILE HA 1 44 ILE H 3.000 . 3.800 3.354 3.229 3.529 . 0 0 "[ . 1 .]" 1
292 1 43 ASP HA 1 44 ILE H 3.000 . 3.800 3.470 3.456 3.484 . 0 0 "[ . 1 .]" 1
293 1 42 GLU HA 1 44 ILE H 4.000 . 5.500 4.080 3.926 4.188 . 0 0 "[ . 1 .]" 1
294 1 41 ILE MG 1 44 ILE H 4.000 . 5.500 4.613 4.415 4.769 . 0 0 "[ . 1 .]" 1
295 1 40 VAL MG1 1 44 ILE H 4.000 . 5.500 3.466 3.232 3.693 . 0 0 "[ . 1 .]" 1
296 1 43 ASP QB 1 44 ILE H 4.000 . 4.500 2.981 2.843 3.578 . 0 0 "[ . 1 .]" 1
297 1 45 HIS H 1 46 ASP H 2.500 . 2.900 2.612 2.483 2.700 . 0 0 "[ . 1 .]" 1
298 1 44 ILE HA 1 45 HIS H 3.000 . 3.800 3.542 3.464 3.573 . 0 0 "[ . 1 .]" 1
299 1 42 GLU HA 1 45 HIS H 3.000 . 3.800 3.493 3.002 3.803 0.003 14 0 "[ . 1 .]" 1
300 1 44 ILE MG 1 45 HIS H 4.000 . 5.500 3.688 3.362 4.151 . 0 0 "[ . 1 .]" 1
301 1 44 ILE QG 1 45 HIS H 4.000 . 5.500 3.642 3.085 3.918 . 0 0 "[ . 1 .]" 1
302 1 44 ILE MD 1 45 HIS H 4.000 . 5.500 4.470 4.013 4.858 . 0 0 "[ . 1 .]" 1
303 1 44 ILE HB 1 45 HIS H 3.000 . 3.800 2.545 2.235 2.980 . 0 0 "[ . 1 .]" 1
304 1 46 ASP H 1 47 PHE H 2.500 . 2.900 2.353 2.218 2.543 . 0 0 "[ . 1 .]" 1
305 1 46 ASP H 1 48 MET H 4.000 . 5.500 3.954 3.540 4.336 . 0 0 "[ . 1 .]" 1
306 1 44 ILE H 1 46 ASP H 4.000 . 5.500 3.739 3.546 4.257 . 0 0 "[ . 1 .]" 1
307 1 42 GLU HA 1 46 ASP H 4.000 . 5.500 3.508 3.303 3.647 . 0 0 "[ . 1 .]" 1
308 1 45 HIS HA 1 46 ASP H 3.000 . 3.800 3.510 3.477 3.576 . 0 0 "[ . 1 .]" 1
309 1 44 ILE HA 1 46 ASP H 4.000 . 5.500 4.349 4.079 4.995 . 0 0 "[ . 1 .]" 1
310 1 43 ASP HA 1 46 ASP H 3.000 . 3.800 3.853 3.822 3.881 0.081 2 0 "[ . 1 .]" 1
311 1 45 HIS QB 1 46 ASP H 3.000 . 3.800 3.092 2.322 3.572 . 0 0 "[ . 1 .]" 1
312 1 47 PHE H 1 48 MET H 2.500 . 2.900 2.459 2.241 2.612 . 0 0 "[ . 1 .]" 1
313 1 45 HIS H 1 47 PHE H 4.000 . 5.500 3.910 3.458 4.294 . 0 0 "[ . 1 .]" 1
314 1 47 PHE H 1 49 GLN H 4.000 . 5.500 4.078 3.806 4.386 . 0 0 "[ . 1 .]" 1
315 1 43 ASP HA 1 47 PHE H 4.000 . 5.500 3.927 3.468 4.589 . 0 0 "[ . 1 .]" 1
316 1 44 ILE HA 1 47 PHE H 3.000 . 3.800 3.463 3.123 3.709 . 0 0 "[ . 1 .]" 1
317 1 46 ASP HA 1 47 PHE H 3.000 . 3.800 3.470 3.343 3.545 . 0 0 "[ . 1 .]" 1
318 1 46 ASP QB 1 47 PHE H 3.000 . 3.800 2.801 2.428 3.213 . 0 0 "[ . 1 .]" 1
319 1 44 ILE MG 1 47 PHE H 4.000 . 5.500 4.711 4.216 4.992 . 0 0 "[ . 1 .]" 1
320 1 45 HIS HD2 1 47 PHE H 4.000 . 5.500 4.790 4.096 5.619 0.119 2 0 "[ . 1 .]" 1
321 1 48 MET H 1 49 GLN H 3.000 . 3.800 2.803 2.723 2.895 . 0 0 "[ . 1 .]" 1
322 1 44 ILE HA 1 48 MET H 4.000 . 5.500 3.632 3.229 4.164 . 0 0 "[ . 1 .]" 1
323 1 45 HIS HA 1 48 MET H 3.000 . 3.800 3.621 3.100 3.840 0.040 4 0 "[ . 1 .]" 1
324 1 47 PHE HA 1 48 MET H 3.000 . 3.800 3.520 3.449 3.596 . 0 0 "[ . 1 .]" 1
325 1 47 PHE QB 1 48 MET H 3.000 . 3.800 2.786 2.541 3.084 . 0 0 "[ . 1 .]" 1
326 1 49 GLN H 1 50 GLY H 2.500 . 2.900 2.579 2.414 2.684 . 0 0 "[ . 1 .]" 1
327 1 47 PHE HA 1 49 GLN H 4.000 . 5.500 3.784 3.535 4.082 . 0 0 "[ . 1 .]" 1
328 1 48 MET HA 1 49 GLN H 4.000 . 5.500 3.484 3.441 3.528 . 0 0 "[ . 1 .]" 1
329 1 48 MET QB 1 49 GLN H 3.000 . 3.800 3.283 2.706 3.639 . 0 0 "[ . 1 .]" 1
330 1 47 PHE H 1 50 GLY H 4.000 . 5.500 5.289 5.011 5.534 0.034 1 0 "[ . 1 .]" 1
331 1 48 MET H 1 50 GLY H 4.000 . 5.500 4.200 3.974 4.353 . 0 0 "[ . 1 .]" 1
332 1 49 GLN HA 1 50 GLY H 3.000 . 3.800 3.309 3.034 3.485 . 0 0 "[ . 1 .]" 1
333 1 49 GLN QB 1 50 GLY H 4.000 . 4.500 3.286 2.900 3.685 . 0 0 "[ . 1 .]" 1
334 1 50 GLY H 1 51 GLY H 3.000 . 3.800 2.080 1.818 2.528 . 0 0 "[ . 1 .]" 1
335 1 49 GLN H 1 51 GLY H 3.000 . 3.800 3.565 3.236 3.810 0.010 6 0 "[ . 1 .]" 1
336 1 47 PHE H 1 51 GLY H 4.000 . 5.500 4.933 4.614 5.505 0.005 3 0 "[ . 1 .]" 1
337 1 50 GLY QA 1 51 GLY H 3.000 . 3.800 2.882 2.776 2.943 . 0 0 "[ . 1 .]" 1
338 1 49 GLN HA 1 51 GLY H 4.000 . 5.500 4.900 4.547 5.163 . 0 0 "[ . 1 .]" 1
339 1 49 GLN QB 1 51 GLY H 4.000 . 5.500 3.642 2.803 4.350 . 0 0 "[ . 1 .]" 1
340 1 51 GLY H 1 52 GLY H 2.500 . 2.900 2.830 2.600 2.962 0.062 1 0 "[ . 1 .]" 1
341 1 52 GLY H 1 53 SER H 4.000 . 5.500 2.041 1.786 2.233 0.014 1 0 "[ . 1 .]" 1
342 1 51 GLY QA 1 52 GLY H 3.000 . 3.800 2.785 2.661 2.856 . 0 0 "[ . 1 .]" 1
343 1 50 GLY QA 1 52 GLY H 3.000 . 3.800 3.301 2.997 3.801 0.001 15 0 "[ . 1 .]" 1
344 1 52 GLY QA 1 53 SER H 3.000 . 3.800 2.786 2.569 2.854 . 0 0 "[ . 1 .]" 1
345 1 53 SER H 1 54 GLY H 4.000 . 5.500 3.320 2.486 4.621 . 0 0 "[ . 1 .]" 1
346 1 53 SER HA 1 54 GLY H 3.000 . 3.800 3.086 2.243 3.488 . 0 0 "[ . 1 .]" 1
347 1 50 GLY QA 1 54 GLY H 4.000 . 5.500 5.416 5.163 5.559 0.059 14 0 "[ . 1 .]" 1
348 1 54 GLY H 1 55 GLY H . . 3.800 3.410 2.107 3.830 0.030 4 0 "[ . 1 .]" 1
349 1 55 GLY H 1 56 LYS H 3.000 . 3.800 2.021 1.921 2.212 . 0 0 "[ . 1 .]" 1
350 1 54 GLY QA 1 55 GLY H 3.000 . 3.800 2.489 2.346 2.790 . 0 0 "[ . 1 .]" 1
351 1 55 GLY QA 1 56 LYS H 3.000 . 3.800 2.872 2.780 2.920 . 0 0 "[ . 1 .]" 1
352 1 53 SER HA 1 56 LYS H 4.000 . 5.500 3.513 3.252 3.883 . 0 0 "[ . 1 .]" 1
353 1 53 SER H 1 56 LYS H 4.000 . 5.500 5.385 5.191 5.534 0.034 2 0 "[ . 1 .]" 1
354 1 56 LYS H 1 57 LEU H . . 2.900 2.354 2.290 2.428 . 0 0 "[ . 1 .]" 1
355 1 56 LYS H 1 58 GLN H 4.000 . 5.500 3.841 3.689 3.999 . 0 0 "[ . 1 .]" 1
356 1 55 GLY H 1 57 LEU H 4.000 . 5.500 3.110 2.621 4.411 . 0 0 "[ . 1 .]" 1
357 1 57 LEU H 1 58 GLN H 2.500 . 2.900 2.750 2.656 2.859 . 0 0 "[ . 1 .]" 1
358 1 57 LEU H 1 59 GLU H 4.000 . 5.500 4.758 4.686 4.877 . 0 0 "[ . 1 .]" 1
359 1 58 GLN H 1 59 GLU H 2.500 . 2.900 2.470 2.442 2.512 . 0 0 "[ . 1 .]" 1
360 1 58 GLN H 1 60 MET H 4.000 . 5.500 3.424 3.343 3.495 . 0 0 "[ . 1 .]" 1
361 1 57 LEU HA 1 58 GLN H 3.000 . 3.800 3.385 3.357 3.414 . 0 0 "[ . 1 .]" 1
362 1 57 LEU MD2 1 58 GLN H 4.000 . 5.500 4.963 4.678 5.278 . 0 0 "[ . 1 .]" 1
363 1 57 LEU QB 1 58 GLN H 3.000 . 3.800 3.255 3.215 3.303 . 0 0 "[ . 1 .]" 1
364 1 59 GLU H 1 60 MET H 3.000 . 3.800 2.267 2.236 2.312 . 0 0 "[ . 1 .]" 1
365 1 56 LYS HA 1 59 GLU H 3.000 . 3.800 3.563 3.352 3.651 . 0 0 "[ . 1 .]" 1
366 1 58 GLN HA 1 59 GLU H 3.000 . 3.800 3.557 3.550 3.566 . 0 0 "[ . 1 .]" 1
367 1 57 LEU HA 1 59 GLU H 4.000 . 5.500 4.754 4.696 4.821 . 0 0 "[ . 1 .]" 1
368 1 58 GLN QB 1 59 GLU H 4.000 . 5.500 3.254 3.139 3.315 . 0 0 "[ . 1 .]" 1
369 1 60 MET H 1 61 MET H 2.500 . 2.900 2.453 2.429 2.489 . 0 0 "[ . 1 .]" 1
370 1 56 LYS HA 1 60 MET H 4.000 . 5.500 3.531 3.432 3.603 . 0 0 "[ . 1 .]" 1
371 1 59 GLU HA 1 60 MET H 3.000 . 3.800 3.482 3.459 3.502 . 0 0 "[ . 1 .]" 1
372 1 58 GLN HA 1 60 MET H 4.000 . 5.500 4.572 4.477 4.662 . 0 0 "[ . 1 .]" 1
373 1 57 LEU HA 1 60 MET H 3.000 . 3.800 3.742 3.654 3.809 0.009 13 0 "[ . 1 .]" 1
374 1 58 GLN QG 1 60 MET H 3.000 . 3.800 3.794 3.657 3.819 0.019 6 0 "[ . 1 .]" 1
375 1 61 MET H 1 62 LYS H 3.000 . 3.800 2.759 2.698 2.820 . 0 0 "[ . 1 .]" 1
376 1 59 GLU H 1 61 MET H 4.000 . 5.500 3.792 3.708 3.861 . 0 0 "[ . 1 .]" 1
377 1 61 MET H 1 63 GLU H 4.000 . 5.500 3.974 3.864 4.124 . 0 0 "[ . 1 .]" 1
378 1 60 MET HA 1 61 MET H 3.000 . 3.800 3.517 3.498 3.538 . 0 0 "[ . 1 .]" 1
379 1 59 GLU HA 1 61 MET H 4.000 . 5.500 4.240 4.105 4.329 . 0 0 "[ . 1 .]" 1
380 1 58 GLN HA 1 61 MET H 3.000 . 3.800 3.888 3.867 3.916 0.116 13 0 "[ . 1 .]" 1
381 1 57 LEU HA 1 61 MET H 4.000 . 5.500 3.089 2.934 3.167 . 0 0 "[ . 1 .]" 1
382 1 57 LEU MD1 1 61 MET H 4.000 . 5.500 3.768 3.175 4.578 . 0 0 "[ . 1 .]" 1
383 1 60 MET QB 1 61 MET H 3.000 . 3.800 2.813 2.739 2.912 . 0 0 "[ . 1 .]" 1
384 1 60 MET H 1 62 LYS H 4.000 . 5.500 4.256 4.147 4.447 . 0 0 "[ . 1 .]" 1
385 1 62 LYS H 1 63 GLU H . . 2.900 2.616 2.491 2.691 . 0 0 "[ . 1 .]" 1
386 1 62 LYS H 1 64 PHE H 4.000 . 5.500 4.346 4.214 4.519 . 0 0 "[ . 1 .]" 1
387 1 61 MET HA 1 62 LYS H 3.000 . 3.800 3.536 3.503 3.560 . 0 0 "[ . 1 .]" 1
388 1 60 MET HA 1 62 LYS H 4.000 . 5.500 4.156 3.901 4.423 . 0 0 "[ . 1 .]" 1
389 1 59 GLU HA 1 62 LYS H 3.000 . 3.800 3.814 3.807 3.822 0.022 7 0 "[ . 1 .]" 1
390 1 61 MET QB 1 62 LYS H 3.000 . 3.800 2.796 2.587 3.406 . 0 0 "[ . 1 .]" 1
391 1 63 GLU H 1 64 PHE H 3.000 . 3.800 2.525 2.369 2.650 . 0 0 "[ . 1 .]" 1
392 1 63 GLU H 1 65 GLN H 4.000 . 5.500 3.864 3.720 4.009 . 0 0 "[ . 1 .]" 1
393 1 62 LYS HA 1 63 GLU H 3.000 . 3.800 3.431 3.372 3.473 . 0 0 "[ . 1 .]" 1
394 1 61 MET HA 1 63 GLU H 4.000 . 5.500 3.805 3.674 4.001 . 0 0 "[ . 1 .]" 1
395 1 60 MET HA 1 63 GLU H 3.000 . 3.800 3.254 3.007 3.377 . 0 0 "[ . 1 .]" 1
396 1 59 GLU HA 1 63 GLU H 4.000 . 5.500 5.383 4.930 5.521 0.021 3 0 "[ . 1 .]" 1
397 1 62 LYS QB 1 63 GLU H 3.000 . 3.800 3.098 2.895 3.654 . 0 0 "[ . 1 .]" 1
398 1 64 PHE H 1 65 GLN H 3.000 . 3.800 2.294 2.203 2.496 . 0 0 "[ . 1 .]" 1
399 1 64 PHE H 1 66 GLN H 4.000 . 5.500 3.771 3.684 3.912 . 0 0 "[ . 1 .]" 1
400 1 62 LYS HA 1 64 PHE H 4.000 . 5.500 4.131 3.982 4.504 . 0 0 "[ . 1 .]" 1
401 1 61 MET HA 1 64 PHE H 3.000 . 3.800 3.477 3.381 3.557 . 0 0 "[ . 1 .]" 1
402 1 63 GLU HA 1 64 PHE H 3.000 . 3.800 3.512 3.478 3.562 . 0 0 "[ . 1 .]" 1
403 1 63 GLU QB 1 64 PHE H 3.000 . 3.800 2.815 2.657 2.956 . 0 0 "[ . 1 .]" 1
404 1 63 GLU QG 1 64 PHE H 4.000 . 5.500 4.133 3.932 4.397 . 0 0 "[ . 1 .]" 1
405 1 65 GLN H 1 66 GLN H 2.500 . 2.900 2.358 2.296 2.457 . 0 0 "[ . 1 .]" 1
406 1 64 PHE HA 1 65 GLN H 3.000 . 3.800 3.463 3.429 3.499 . 0 0 "[ . 1 .]" 1
407 1 62 LYS HA 1 65 GLN H 3.000 . 3.800 3.304 3.117 3.478 . 0 0 "[ . 1 .]" 1
408 1 64 PHE QB 1 65 GLN H 3.000 . 3.800 3.558 3.488 3.611 . 0 0 "[ . 1 .]" 1
409 1 63 GLU QG 1 65 GLN H 4.000 . 5.500 5.491 5.332 5.551 0.051 3 0 "[ . 1 .]" 1
410 1 66 GLN H 1 68 LEU H 4.000 . 5.500 4.370 4.260 4.767 . 0 0 "[ . 1 .]" 1
411 1 66 GLN H 1 67 VAL H . . 2.900 2.694 2.631 2.756 . 0 0 "[ . 1 .]" 1
412 1 62 LYS HA 1 66 GLN H 4.000 . 5.500 3.723 3.431 3.971 . 0 0 "[ . 1 .]" 1
413 1 64 PHE HA 1 66 GLN H 4.000 . 5.500 4.278 4.196 4.413 . 0 0 "[ . 1 .]" 1
414 1 65 GLN HA 1 66 GLN H 3.000 . 3.800 3.501 3.488 3.521 . 0 0 "[ . 1 .]" 1
415 1 65 GLN QB 1 66 GLN H 3.000 . 3.800 2.877 2.691 3.547 . 0 0 "[ . 1 .]" 1
416 1 67 VAL H 1 68 LEU H 2.500 . 2.900 2.759 2.649 2.907 0.007 6 0 "[ . 1 .]" 1
417 1 65 GLN H 1 67 VAL H 4.000 . 5.500 4.069 3.952 4.181 . 0 0 "[ . 1 .]" 1
418 1 67 VAL H 1 69 ASP H 4.000 . 5.500 3.825 3.680 3.940 . 0 0 "[ . 1 .]" 1
419 1 66 GLN HA 1 67 VAL H 3.000 . 3.800 3.507 3.486 3.535 . 0 0 "[ . 1 .]" 1
420 1 64 PHE HA 1 67 VAL H 3.000 . 3.800 3.773 3.669 3.851 0.051 3 0 "[ . 1 .]" 1
421 1 66 GLN QG 1 67 VAL H 4.000 . 5.500 4.034 3.636 4.581 . 0 0 "[ . 1 .]" 1
422 1 66 GLN QB 1 67 VAL H 3.000 . 3.800 2.714 2.605 2.863 . 0 0 "[ . 1 .]" 1
423 1 63 GLU QG 1 67 VAL H 4.000 . 5.500 5.254 5.083 5.504 0.004 11 0 "[ . 1 .]" 1
424 1 68 LEU H 1 69 ASP H 2.500 . 2.900 2.579 2.481 2.658 . 0 0 "[ . 1 .]" 1
425 1 68 LEU H 1 70 GLU H 4.000 . 5.500 4.797 4.613 4.918 . 0 0 "[ . 1 .]" 1
426 1 67 VAL HA 1 68 LEU H 3.000 . 3.800 3.535 3.512 3.568 . 0 0 "[ . 1 .]" 1
427 1 65 GLN HA 1 68 LEU H 3.000 . 3.800 3.444 3.292 3.604 . 0 0 "[ . 1 .]" 1
428 1 64 PHE HA 1 68 LEU H 4.000 . 5.500 5.409 5.233 5.501 0.001 5 0 "[ . 1 .]" 1
429 1 66 GLN HA 1 68 LEU H 4.000 . 5.500 4.276 4.040 4.771 . 0 0 "[ . 1 .]" 1
430 1 67 VAL QG 1 68 LEU H . . 3.800 3.104 2.752 3.260 . 0 0 "[ . 1 .]" 1
431 1 69 ASP H 1 70 GLU H 2.500 . 2.900 2.662 2.586 2.823 . 0 0 "[ . 1 .]" 1
432 1 69 ASP H 1 71 LEU H 4.000 . 5.500 3.594 3.497 3.689 . 0 0 "[ . 1 .]" 1
433 1 68 LEU HA 1 69 ASP H 3.000 . 3.800 3.368 3.317 3.423 . 0 0 "[ . 1 .]" 1
434 1 66 GLN HA 1 69 ASP H 3.000 . 3.800 3.289 3.140 3.354 . 0 0 "[ . 1 .]" 1
435 1 67 VAL HA 1 69 ASP H 4.000 . 5.500 3.688 3.618 3.829 . 0 0 "[ . 1 .]" 1
436 1 65 GLN HA 1 69 ASP H 4.000 . 5.500 5.147 4.765 5.477 . 0 0 "[ . 1 .]" 1
437 1 68 LEU QB 1 69 ASP H 3.000 . 3.800 3.258 3.148 3.330 . 0 0 "[ . 1 .]" 1
438 1 70 GLU H 1 71 LEU H 3.000 . 3.800 2.580 2.508 2.654 . 0 0 "[ . 1 .]" 1
439 1 70 GLU H 1 72 ASN H 4.000 . 5.500 4.729 4.615 4.867 . 0 0 "[ . 1 .]" 1
440 1 67 VAL HA 1 70 GLU H 3.000 . 3.800 3.829 3.709 3.858 0.058 1 0 "[ . 1 .]" 1
441 1 68 LEU HA 1 70 GLU H 4.000 . 5.500 4.659 4.434 4.811 . 0 0 "[ . 1 .]" 1
442 1 69 ASP HA 1 70 GLU H 3.000 . 3.800 3.573 3.559 3.585 . 0 0 "[ . 1 .]" 1
443 1 66 GLN HA 1 70 GLU H 4.000 . 5.500 4.797 4.586 4.966 . 0 0 "[ . 1 .]" 1
444 1 69 ASP QB 1 70 GLU H 3.000 . 3.800 2.213 2.108 2.355 . 0 0 "[ . 1 .]" 1
445 1 66 GLN QG 1 70 GLU H 4.000 . 5.500 4.327 3.827 5.135 . 0 0 "[ . 1 .]" 1
446 1 71 LEU H 1 73 ASN H 4.000 . 5.500 3.762 3.669 3.874 . 0 0 "[ . 1 .]" 1
447 1 71 LEU H 1 72 ASN H . . 2.900 2.885 2.750 2.931 0.031 3 0 "[ . 1 .]" 1
448 1 67 VAL HA 1 71 LEU H 4.000 . 5.500 4.787 4.676 5.125 . 0 0 "[ . 1 .]" 1
449 1 68 LEU HA 1 71 LEU H 3.000 . 3.800 3.315 3.081 3.418 . 0 0 "[ . 1 .]" 1
450 1 70 GLU HA 1 71 LEU H 3.000 . 3.800 3.446 3.420 3.458 . 0 0 "[ . 1 .]" 1
451 1 69 ASP HA 1 71 LEU H 4.000 . 5.500 4.103 3.844 4.220 . 0 0 "[ . 1 .]" 1
452 1 70 GLU QB 1 71 LEU H 3.000 . 3.800 2.577 2.427 2.850 . 0 0 "[ . 1 .]" 1
453 1 72 ASN H 1 73 ASN H 2.500 . 2.900 2.814 2.783 2.855 . 0 0 "[ . 1 .]" 1
454 1 72 ASN H 1 74 HIS H 4.000 . 5.500 4.234 4.201 4.293 . 0 0 "[ . 1 .]" 1
455 1 69 ASP HA 1 72 ASN H 3.000 . 3.800 3.671 3.445 3.820 0.020 15 0 "[ . 1 .]" 1
456 1 68 LEU HA 1 72 ASN H 4.000 . 5.500 3.351 3.099 4.208 . 0 0 "[ . 1 .]" 1
457 1 71 LEU HA 1 72 ASN H 3.000 . 3.800 3.563 3.558 3.567 . 0 0 "[ . 1 .]" 1
458 1 70 GLU HA 1 72 ASN H 4.000 . 5.500 5.341 5.120 5.499 . 0 0 "[ . 1 .]" 1
459 1 71 LEU QB 1 72 ASN H . . 3.800 2.197 1.953 2.253 . 0 0 "[ . 1 .]" 1
460 1 71 LEU HG 1 72 ASN H 4.000 . 5.500 3.015 2.732 4.491 . 0 0 "[ . 1 .]" 1
461 1 71 LEU MD2 1 72 ASN H 4.000 . 5.500 2.633 2.352 4.066 . 0 0 "[ . 1 .]" 1
462 1 73 ASN H 1 74 HIS H 2.500 . 2.900 2.593 2.498 2.638 . 0 0 "[ . 1 .]" 1
463 1 73 ASN H 1 75 LEU H 4.000 . 5.500 4.494 4.248 4.593 . 0 0 "[ . 1 .]" 1
464 1 71 LEU HA 1 73 ASN H 4.000 . 5.500 4.033 3.762 4.160 . 0 0 "[ . 1 .]" 1
465 1 70 GLU HA 1 73 ASN H 4.000 . 5.500 4.058 3.815 4.188 . 0 0 "[ . 1 .]" 1
466 1 69 ASP HA 1 73 ASN H 4.000 . 5.500 3.930 3.652 4.745 . 0 0 "[ . 1 .]" 1
467 1 72 ASN HA 1 73 ASN H 3.000 . 3.800 3.466 3.433 3.497 . 0 0 "[ . 1 .]" 1
468 1 72 ASN QB 1 73 ASN H 3.000 . 3.800 2.978 2.871 3.573 . 0 0 "[ . 1 .]" 1
469 1 74 HIS H 1 76 GLN H 4.000 . 5.500 5.243 5.098 5.420 . 0 0 "[ . 1 .]" 1
470 1 74 HIS H 1 75 LEU H 2.500 . 2.900 2.216 2.064 2.495 . 0 0 "[ . 1 .]" 1
471 1 70 GLU HA 1 74 HIS H 4.000 . 5.500 5.470 5.045 5.531 0.031 9 0 "[ . 1 .]" 1
472 1 71 LEU HA 1 74 HIS H 3.000 . 3.800 3.740 3.156 3.821 0.021 15 0 "[ . 1 .]" 1
473 1 73 ASN HA 1 74 HIS H 3.000 . 3.800 3.237 3.141 3.555 . 0 0 "[ . 1 .]" 1
474 1 72 ASN HA 1 74 HIS H 4.000 . 5.500 3.601 3.494 4.128 . 0 0 "[ . 1 .]" 1
475 1 71 LEU HG 1 74 HIS H 3.000 . 4.500 4.541 4.471 4.831 0.331 8 0 "[ . 1 .]" 1
476 1 73 ASN QB 1 74 HIS H 3.000 . 3.800 3.502 3.032 3.618 . 0 0 "[ . 1 .]" 1
477 1 71 LEU MD1 1 74 HIS H 4.000 . 5.500 5.290 5.139 5.558 0.058 6 0 "[ . 1 .]" 1
478 1 75 LEU H 1 76 GLN H 4.000 . 5.500 4.091 3.992 4.206 . 0 0 "[ . 1 .]" 1
479 1 74 HIS HA 1 75 LEU H 3.000 . 3.800 2.922 2.857 3.017 . 0 0 "[ . 1 .]" 1
480 1 71 LEU HA 1 75 LEU H 4.000 . 5.500 5.169 4.668 5.408 . 0 0 "[ . 1 .]" 1
481 1 72 ASN HA 1 75 LEU H 3.000 . 3.800 3.818 3.792 3.863 0.063 15 0 "[ . 1 .]" 1
482 1 73 ASN HA 1 75 LEU H 4.000 . 5.500 4.250 4.134 4.430 . 0 0 "[ . 1 .]" 1
483 1 76 GLN H 1 77 GLY H 3.000 . 3.800 3.235 2.400 3.831 0.031 10 0 "[ . 1 .]" 1
484 1 75 LEU HA 1 76 GLN H 3.000 . 3.800 2.258 2.231 2.282 . 0 0 "[ . 1 .]" 1
485 1 75 LEU QB 1 76 GLN H 3.000 . 3.800 3.844 3.804 3.861 0.061 8 0 "[ . 1 .]" 1
486 1 75 LEU MD2 1 76 GLN H 4.000 . 6.000 4.530 4.096 4.768 . 0 0 "[ . 1 .]" 1
487 1 76 GLN QB 1 77 GLY H 4.000 . 5.500 3.350 2.138 4.044 . 0 0 "[ . 1 .]" 1
488 1 76 GLN QG 1 77 GLY H 4.000 . 5.500 4.351 3.844 4.799 . 0 0 "[ . 1 .]" 1
489 1 76 GLN HA 1 77 GLY H 3.000 . 3.800 2.963 2.436 3.575 . 0 0 "[ . 1 .]" 1
490 1 75 LEU HA 1 77 GLY H 4.000 . 5.500 4.153 3.546 4.559 . 0 0 "[ . 1 .]" 1
491 1 77 GLY H 1 78 GLY H 3.000 . 3.800 2.637 2.016 2.845 . 0 0 "[ . 1 .]" 1
492 1 75 LEU HG 1 78 GLY H 4.000 . 5.500 4.374 3.936 4.770 . 0 0 "[ . 1 .]" 1
493 1 76 GLN H 1 78 GLY H 4.000 . 5.500 4.041 3.640 4.596 . 0 0 "[ . 1 .]" 1
494 1 75 LEU MD1 1 78 GLY H 4.000 . 5.500 2.374 2.072 3.319 . 0 0 "[ . 1 .]" 1
495 1 77 GLY QA 1 78 GLY H 3.000 . 3.800 2.732 2.457 2.875 . 0 0 "[ . 1 .]" 1
496 1 76 GLN HA 1 78 GLY H 4.000 . 5.500 4.629 3.964 5.505 0.005 7 0 "[ . 1 .]" 1
497 1 78 GLY H 1 79 LYS H 3.000 . 3.800 3.037 2.091 3.850 0.050 5 0 "[ . 1 .]" 1
498 1 79 LYS H 1 81 THR H 4.000 . 5.500 4.458 4.261 4.817 . 0 0 "[ . 1 .]" 1
499 1 78 GLY QA 1 79 LYS H 3.000 . 3.800 2.490 2.084 2.807 . 0 0 "[ . 1 .]" 1
500 1 75 LEU HA 1 79 LYS H 4.000 . 5.500 5.495 5.400 5.530 0.030 14 0 "[ . 1 .]" 1
501 1 75 LEU HG 1 79 LYS H 4.000 . 5.500 3.521 2.883 3.945 . 0 0 "[ . 1 .]" 1
502 1 75 LEU MD1 1 79 LYS H 4.000 . 5.500 3.105 2.853 3.538 . 0 0 "[ . 1 .]" 1
503 1 80 HIS H 1 81 THR H 3.000 . 3.800 2.788 2.568 2.961 . 0 0 "[ . 1 .]" 1
504 1 79 LYS H 1 80 HIS H 3.000 . 3.800 2.850 2.746 2.967 . 0 0 "[ . 1 .]" 1
505 1 79 LYS HA 1 80 HIS H 3.000 . 3.800 3.494 3.440 3.529 . 0 0 "[ . 1 .]" 1
506 1 78 GLY QA 1 80 HIS H 4.000 . 5.500 3.169 3.000 3.371 . 0 0 "[ . 1 .]" 1
507 1 79 LYS QB 1 80 HIS H 4.000 . 5.500 3.171 2.632 3.708 . 0 0 "[ . 1 .]" 1
508 1 79 LYS QG 1 80 HIS H 4.000 . 5.500 3.271 1.954 4.564 . 0 0 "[ . 1 .]" 1
509 1 81 THR H 1 82 VAL H 2.500 . 2.900 2.924 2.792 2.957 0.057 14 0 "[ . 1 .]" 1
510 1 81 THR H 1 83 HIS H 4.000 . 5.500 3.829 3.706 4.489 . 0 0 "[ . 1 .]" 1
511 1 80 HIS HA 1 81 THR H 3.000 . 3.800 3.505 3.476 3.530 . 0 0 "[ . 1 .]" 1
512 1 79 LYS QE 1 81 THR H 4.000 . 5.500 5.271 4.484 5.563 0.063 15 0 "[ . 1 .]" 1
513 1 80 HIS QB 1 81 THR H 3.000 . 3.800 2.955 2.646 3.563 . 0 0 "[ . 1 .]" 1
514 1 82 VAL H 1 83 HIS H . . 2.900 2.870 2.813 2.916 0.016 6 0 "[ . 1 .]" 1
515 1 82 VAL H 1 84 HIS H 4.000 . 5.500 4.307 4.062 4.369 . 0 0 "[ . 1 .]" 1
516 1 80 HIS H 1 82 VAL H 4.000 . 5.500 4.987 4.392 5.143 . 0 0 "[ . 1 .]" 1
517 1 80 HIS HA 1 82 VAL H 4.000 . 5.500 5.299 4.641 5.442 . 0 0 "[ . 1 .]" 1
518 1 81 THR HA 1 82 VAL H 4.000 . 5.500 3.538 3.527 3.564 . 0 0 "[ . 1 .]" 1
519 1 81 THR MG 1 82 VAL H 3.000 . 3.800 2.266 2.145 2.785 . 0 0 "[ . 1 .]" 1
520 1 83 HIS H 1 85 ILE H 4.000 . 5.500 3.971 3.849 4.522 . 0 0 "[ . 1 .]" 1
521 1 83 HIS H 1 84 HIS H 2.500 . 2.900 2.786 2.725 2.896 . 0 0 "[ . 1 .]" 1
522 1 80 HIS HA 1 83 HIS H 3.000 . 3.800 3.843 3.805 3.887 0.087 9 0 "[ . 1 .]" 1
523 1 82 VAL HA 1 83 HIS H 3.000 . 3.800 3.565 3.554 3.575 . 0 0 "[ . 1 .]" 1
524 1 79 LYS HA 1 83 HIS H 4.000 . 5.500 3.623 3.422 4.015 . 0 0 "[ . 1 .]" 1
525 1 81 THR HA 1 83 HIS H 4.000 . 5.500 4.499 4.309 5.010 . 0 0 "[ . 1 .]" 1
526 1 82 VAL HB 1 83 HIS H 3.000 . 3.800 2.622 2.276 2.736 . 0 0 "[ . 1 .]" 1
527 1 81 THR MG 1 83 HIS H 4.000 . 5.500 4.487 4.366 4.989 . 0 0 "[ . 1 .]" 1
528 1 82 VAL MG1 1 83 HIS H 3.000 . 3.800 3.646 3.586 3.757 . 0 0 "[ . 1 .]" 1
529 1 84 HIS H 1 86 GLU H 4.000 . 5.500 3.933 3.664 4.015 . 0 0 "[ . 1 .]" 1
530 1 84 HIS H 1 85 ILE H 2.500 . 2.900 2.444 2.413 2.627 . 0 0 "[ . 1 .]" 1
531 1 81 THR HA 1 84 HIS H 3.000 . 3.800 3.732 3.668 3.799 . 0 0 "[ . 1 .]" 1
532 1 82 VAL HA 1 84 HIS H 4.000 . 5.500 4.097 4.011 4.211 . 0 0 "[ . 1 .]" 1
533 1 80 HIS HA 1 84 HIS H 4.000 . 5.500 4.266 3.715 4.531 . 0 0 "[ . 1 .]" 1
534 1 83 HIS HA 1 84 HIS H 3.000 . 3.800 3.522 3.516 3.538 . 0 0 "[ . 1 .]" 1
535 1 85 ILE H 1 86 GLU H 2.500 . 2.900 2.404 2.356 2.718 . 0 0 "[ . 1 .]" 1
536 1 85 ILE H 1 87 GLN H 4.000 . 5.500 4.034 3.892 4.320 . 0 0 "[ . 1 .]" 1
537 1 81 THR HA 1 85 ILE H 4.000 . 5.500 4.555 3.781 4.768 . 0 0 "[ . 1 .]" 1
538 1 84 HIS HA 1 85 ILE H 3.000 . 3.800 3.490 3.470 3.559 . 0 0 "[ . 1 .]" 1
539 1 82 VAL HA 1 85 ILE H 3.000 . 3.800 2.888 2.754 3.461 . 0 0 "[ . 1 .]" 1
540 1 83 HIS HA 1 85 ILE H 4.000 . 5.500 4.324 4.191 5.055 . 0 0 "[ . 1 .]" 1
541 1 82 VAL MG1 1 85 ILE H 4.000 . 5.500 4.038 3.848 4.695 . 0 0 "[ . 1 .]" 1
542 1 84 HIS QB 1 85 ILE H . . 3.800 2.823 2.210 2.974 . 0 0 "[ . 1 .]" 1
543 1 82 VAL MG2 1 85 ILE H 4.000 . 5.500 4.815 4.717 5.180 . 0 0 "[ . 1 .]" 1
544 1 86 GLU H 1 88 ASN H 4.000 . 5.500 3.621 3.325 3.733 . 0 0 "[ . 1 .]" 1
545 1 86 GLU H 1 87 GLN H 2.500 . 2.900 2.512 2.316 2.615 . 0 0 "[ . 1 .]" 1
546 1 85 ILE HA 1 86 GLU H 3.000 . 3.800 3.495 3.422 3.519 . 0 0 "[ . 1 .]" 1
547 1 83 HIS HA 1 86 GLU H 3.000 . 3.800 3.557 3.491 3.784 . 0 0 "[ . 1 .]" 1
548 1 82 VAL HA 1 86 GLU H 4.000 . 5.500 3.429 3.353 3.501 . 0 0 "[ . 1 .]" 1
549 1 87 GLN H 1 88 ASN H 2.500 . 2.900 2.515 2.388 2.611 . 0 0 "[ . 1 .]" 1
550 1 87 GLN H 1 89 ILE H 4.000 . 5.500 4.458 4.024 4.692 . 0 0 "[ . 1 .]" 1
551 1 84 HIS HA 1 87 GLN H 3.000 . 3.800 3.789 3.372 3.853 0.053 13 0 "[ . 1 .]" 1
552 1 86 GLU HA 1 87 GLN H 3.000 . 3.800 3.562 3.537 3.592 . 0 0 "[ . 1 .]" 1
553 1 85 ILE HA 1 87 GLN H 4.000 . 5.500 4.614 4.436 4.808 . 0 0 "[ . 1 .]" 1
554 1 83 HIS HA 1 87 GLN H 4.000 . 5.500 3.668 3.524 3.756 . 0 0 "[ . 1 .]" 1
555 1 86 GLU QB 1 87 GLN HE22 3.000 . 3.800 3.802 3.732 3.826 0.026 15 0 "[ . 1 .]" 1
556 1 88 ASN H 1 90 LYS H 4.000 . 5.500 3.863 3.612 4.100 . 0 0 "[ . 1 .]" 1
557 1 88 ASN H 1 89 ILE H 2.500 . 2.900 2.609 2.411 2.737 . 0 0 "[ . 1 .]" 1
558 1 85 ILE HA 1 88 ASN H 3.000 . 3.800 3.460 3.392 3.668 . 0 0 "[ . 1 .]" 1
559 1 87 GLN HA 1 88 ASN H 3.000 . 3.800 3.454 3.409 3.471 . 0 0 "[ . 1 .]" 1
560 1 86 GLU HA 1 88 ASN H 4.000 . 5.500 3.904 3.741 4.052 . 0 0 "[ . 1 .]" 1
561 1 84 HIS HA 1 88 ASN H 4.000 . 5.500 4.236 3.911 4.340 . 0 0 "[ . 1 .]" 1
562 1 85 ILE MG 1 88 ASN H 4.000 . 5.500 5.172 4.693 5.277 . 0 0 "[ . 1 .]" 1
563 1 87 GLN QB 1 88 ASN H 3.000 . 3.800 2.874 2.828 2.939 . 0 0 "[ . 1 .]" 1
564 1 89 ILE H 1 90 LYS H 2.500 . 2.900 2.815 2.670 2.905 0.005 4 0 "[ . 1 .]" 1
565 1 89 ILE H 1 91 GLU H 4.000 . 5.500 3.915 3.713 4.092 . 0 0 "[ . 1 .]" 1
566 1 88 ASN HA 1 89 ILE H 4.000 . 5.500 3.573 3.547 3.583 . 0 0 "[ . 1 .]" 1
567 1 87 GLN HA 1 89 ILE H 4.000 . 5.500 5.157 4.699 5.396 . 0 0 "[ . 1 .]" 1
568 1 86 GLU HA 1 89 ILE H 4.000 . 5.500 3.355 3.076 3.567 . 0 0 "[ . 1 .]" 1
569 1 85 ILE HA 1 89 ILE H 4.000 . 5.500 3.456 3.351 3.621 . 0 0 "[ . 1 .]" 1
570 1 88 ASN QB 1 89 ILE H . . 3.800 2.390 2.219 2.727 . 0 0 "[ . 1 .]" 1
571 1 90 LYS H 1 91 GLU H 2.500 . 2.900 2.592 2.500 2.661 . 0 0 "[ . 1 .]" 1
572 1 90 LYS H 1 92 ILE H 4.000 . 5.500 3.810 3.770 3.870 . 0 0 "[ . 1 .]" 1
573 1 88 ASN HA 1 90 LYS H 4.000 . 5.500 4.753 4.248 5.070 . 0 0 "[ . 1 .]" 1
574 1 87 GLN HA 1 90 LYS H 4.000 . 5.500 4.186 3.993 4.334 . 0 0 "[ . 1 .]" 1
575 1 89 ILE HA 1 90 LYS H 3.000 . 3.800 3.557 3.513 3.579 . 0 0 "[ . 1 .]" 1
576 1 86 GLU HA 1 90 LYS H 4.000 . 5.500 2.875 2.755 3.217 . 0 0 "[ . 1 .]" 1
577 1 89 ILE MG 1 90 LYS H 3.000 . 3.800 2.252 2.146 2.554 . 0 0 "[ . 1 .]" 1
578 1 89 ILE QG 1 90 LYS H 4.000 . 5.500 4.370 4.291 4.511 . 0 0 "[ . 1 .]" 1
579 1 91 GLU H 1 92 ILE H 2.500 . 2.900 2.330 2.274 2.362 . 0 0 "[ . 1 .]" 1
580 1 91 GLU H 1 93 PHE H 4.000 . 5.500 4.389 4.270 4.618 . 0 0 "[ . 1 .]" 1
581 1 88 ASN HA 1 91 GLU H 3.000 . 3.800 3.635 3.486 3.837 0.037 5 0 "[ . 1 .]" 1
582 1 87 GLN HA 1 91 GLU H 4.000 . 5.500 4.164 3.843 4.697 . 0 0 "[ . 1 .]" 1
583 1 90 LYS HA 1 91 GLU H 3.000 . 3.800 3.455 3.429 3.469 . 0 0 "[ . 1 .]" 1
584 1 89 ILE HA 1 91 GLU H 4.000 . 5.500 3.967 3.789 4.038 . 0 0 "[ . 1 .]" 1
585 1 90 LYS QB 1 91 GLU H 3.000 . 3.800 2.883 2.824 3.021 . 0 0 "[ . 1 .]" 1
586 1 89 ILE MG 1 91 GLU H 4.000 . 5.500 4.187 4.112 4.300 . 0 0 "[ . 1 .]" 1
587 1 90 LYS QG 1 91 GLU H 4.000 . 5.500 4.204 3.993 4.655 . 0 0 "[ . 1 .]" 1
588 1 92 ILE H 1 93 PHE H 3.000 . 3.800 2.423 2.334 2.575 . 0 0 "[ . 1 .]" 1
589 1 92 ILE H 1 94 HIS H 4.000 . 5.500 3.775 3.680 3.943 . 0 0 "[ . 1 .]" 1
590 1 89 ILE HA 1 92 ILE H 3.000 . 3.800 3.116 3.045 3.180 . 0 0 "[ . 1 .]" 1
591 1 91 GLU HA 1 92 ILE H 3.000 . 3.800 3.295 3.258 3.341 . 0 0 "[ . 1 .]" 1
592 1 90 LYS HA 1 92 ILE H 4.000 . 5.500 3.684 3.602 3.761 . 0 0 "[ . 1 .]" 1
593 1 88 ASN HA 1 92 ILE H 4.000 . 5.500 4.722 4.570 5.093 . 0 0 "[ . 1 .]" 1
594 1 91 GLU QB 1 92 ILE H 3.000 . 3.800 3.345 3.257 3.407 . 0 0 "[ . 1 .]" 1
595 1 93 PHE H 1 94 HIS H 2.500 . 2.900 2.718 2.571 2.908 0.008 10 0 "[ . 1 .]" 1
596 1 93 PHE H 1 95 HIS H 4.000 . 5.500 4.862 4.626 5.007 . 0 0 "[ . 1 .]" 1
597 1 91 GLU HA 1 93 PHE H 4.000 . 5.500 4.292 3.987 4.735 . 0 0 "[ . 1 .]" 1
598 1 90 LYS HA 1 93 PHE H 3.000 . 3.800 3.848 3.828 3.872 0.072 2 0 "[ . 1 .]" 1
599 1 89 ILE HA 1 93 PHE H 4.000 . 5.500 4.465 4.286 4.586 . 0 0 "[ . 1 .]" 1
600 1 92 ILE HA 1 93 PHE H 3.000 . 3.800 3.531 3.499 3.571 . 0 0 "[ . 1 .]" 1
601 1 92 ILE MG 1 93 PHE H 4.000 . 5.500 2.407 1.902 2.841 . 0 0 "[ . 1 .]" 1
602 1 92 ILE HB 1 93 PHE H 3.000 . 3.800 2.978 2.512 3.264 . 0 0 "[ . 1 .]" 1
603 1 89 ILE QG 1 93 PHE H 4.000 . 5.500 5.193 4.783 5.382 . 0 0 "[ . 1 .]" 1
604 1 94 HIS H 1 96 LEU H 4.000 . 5.500 3.523 3.437 3.619 . 0 0 "[ . 1 .]" 1
605 1 94 HIS H 1 95 HIS H 2.500 . 2.900 2.894 2.814 2.943 0.043 9 0 "[ . 1 .]" 1
606 1 91 GLU HA 1 94 HIS H 3.000 . 3.800 3.437 3.267 3.685 . 0 0 "[ . 1 .]" 1
607 1 93 PHE HA 1 94 HIS H 3.000 . 3.800 3.489 3.467 3.552 . 0 0 "[ . 1 .]" 1
608 1 90 LYS HA 1 94 HIS H 4.000 . 5.500 5.465 4.969 5.570 0.070 5 0 "[ . 1 .]" 1
609 1 92 ILE HA 1 94 HIS H 4.000 . 5.500 3.885 3.733 4.361 . 0 0 "[ . 1 .]" 1
610 1 93 PHE QB 1 94 HIS H 3.000 . 3.800 3.440 3.268 3.538 . 0 0 "[ . 1 .]" 1
611 1 95 HIS H 1 96 LEU H 2.500 . 2.900 2.625 2.565 2.655 . 0 0 "[ . 1 .]" 1
612 1 95 HIS H 1 97 GLU H 4.000 . 5.500 4.801 4.616 4.909 . 0 0 "[ . 1 .]" 1
613 1 94 HIS HA 1 95 HIS H 3.000 . 3.800 3.559 3.551 3.565 . 0 0 "[ . 1 .]" 1
614 1 93 PHE HA 1 95 HIS H 4.000 . 5.500 4.949 4.742 5.072 . 0 0 "[ . 1 .]" 1
615 1 91 GLU HA 1 95 HIS H 4.000 . 5.500 4.935 4.191 5.245 . 0 0 "[ . 1 .]" 1
616 1 92 ILE HA 1 95 HIS H 4.000 . 5.500 3.630 3.519 3.791 . 0 0 "[ . 1 .]" 1
617 1 96 LEU H 1 97 GLU H 2.500 . 2.900 2.540 2.440 2.624 . 0 0 "[ . 1 .]" 1
618 1 96 LEU H 1 98 GLU H 4.000 . 5.500 3.204 3.159 3.317 . 0 0 "[ . 1 .]" 1
619 1 94 HIS HA 1 96 LEU H 4.000 . 5.500 3.737 3.699 3.782 . 0 0 "[ . 1 .]" 1
620 1 92 ILE HA 1 96 LEU H 4.000 . 5.500 4.558 4.316 4.760 . 0 0 "[ . 1 .]" 1
621 1 93 PHE HA 1 96 LEU H 3.000 . 3.800 3.379 3.292 3.438 . 0 0 "[ . 1 .]" 1
622 1 95 HIS HA 1 96 LEU H 3.000 . 3.800 3.374 3.363 3.392 . 0 0 "[ . 1 .]" 1
623 1 93 PHE QD 1 96 LEU H 4.000 . 5.500 4.879 4.750 4.932 . 0 0 "[ . 1 .]" 1
624 1 97 GLU H 1 98 GLU H 2.500 . 2.900 2.568 2.507 2.630 . 0 0 "[ . 1 .]" 1
625 1 97 GLU H 1 99 LEU H 4.000 . 5.500 4.176 4.079 4.322 . 0 0 "[ . 1 .]" 1
626 1 96 LEU HA 1 97 GLU H 3.000 . 3.800 3.559 3.549 3.562 . 0 0 "[ . 1 .]" 1
627 1 94 HIS HA 1 97 GLU H 3.000 . 3.800 3.796 3.667 3.831 0.031 10 0 "[ . 1 .]" 1
628 1 95 HIS HA 1 97 GLU H 4.000 . 5.500 5.090 4.890 5.248 . 0 0 "[ . 1 .]" 1
629 1 93 PHE HA 1 97 GLU H 4.000 . 5.500 3.375 3.283 3.523 . 0 0 "[ . 1 .]" 1
630 1 96 LEU MD1 1 97 GLU H 4.000 . 5.500 4.247 4.129 4.378 . 0 0 "[ . 1 .]" 1
631 1 96 LEU QB 1 97 GLU H 3.000 . 3.800 2.198 2.092 2.390 . 0 0 "[ . 1 .]" 1
632 1 96 LEU MD2 1 97 GLU H 4.000 . 5.500 4.468 4.427 4.555 . 0 0 "[ . 1 .]" 1
633 1 98 GLU H 1 100 VAL H 4.000 . 5.500 4.462 4.269 4.881 . 0 0 "[ . 1 .]" 1
634 1 98 GLU H 1 99 LEU H 2.500 . 2.900 2.322 2.226 2.531 . 0 0 "[ . 1 .]" 1
635 1 97 GLU HA 1 98 GLU H 3.000 . 3.800 3.382 3.341 3.411 . 0 0 "[ . 1 .]" 1
636 1 96 LEU HA 1 98 GLU H 4.000 . 5.500 3.810 3.625 3.895 . 0 0 "[ . 1 .]" 1
637 1 94 HIS HA 1 98 GLU H 4.000 . 5.500 4.122 3.888 4.486 . 0 0 "[ . 1 .]" 1
638 1 95 HIS HA 1 98 GLU H 3.000 . 3.800 3.658 3.507 3.764 . 0 0 "[ . 1 .]" 1
639 1 97 GLU QG 1 98 GLU H 4.000 . 5.500 4.538 4.170 4.755 . 0 0 "[ . 1 .]" 1
640 1 96 LEU HG 1 98 GLU H 4.000 . 5.500 5.638 5.605 5.662 0.162 10 0 "[ . 1 .]" 1
641 1 96 LEU MD2 1 98 GLU H 4.000 . 5.500 5.141 5.059 5.253 . 0 0 "[ . 1 .]" 1
642 1 99 LEU H 1 100 VAL H 2.500 . 2.900 2.646 2.219 2.798 . 0 0 "[ . 1 .]" 1
643 1 99 LEU H 1 101 HIS H 4.000 . 5.500 3.683 3.233 3.947 . 0 0 "[ . 1 .]" 1
644 1 96 LEU HA 1 99 LEU H 3.000 . 3.800 3.578 3.409 3.823 0.023 2 0 "[ . 1 .]" 1
645 1 98 GLU HA 1 99 LEU H 3.000 . 3.800 3.400 3.228 3.481 . 0 0 "[ . 1 .]" 1
646 1 97 GLU HA 1 99 LEU H 4.000 . 5.500 3.852 3.370 4.138 . 0 0 "[ . 1 .]" 1
647 1 95 HIS HA 1 99 LEU H 4.000 . 5.500 4.467 4.055 5.414 . 0 0 "[ . 1 .]" 1
648 1 98 GLU QB 1 99 LEU H 3.000 . 3.800 3.115 2.848 3.566 . 0 0 "[ . 1 .]" 1
649 1 98 GLU QG 1 99 LEU H 4.000 . 5.500 4.200 2.487 4.689 . 0 0 "[ . 1 .]" 1
650 1 96 LEU MD2 1 99 LEU H 4.000 . 5.500 4.897 4.763 5.102 . 0 0 "[ . 1 .]" 1
651 1 100 VAL H 1 101 HIS H 3.000 . 3.800 2.638 2.455 2.738 . 0 0 "[ . 1 .]" 1
652 1 99 LEU HA 1 100 VAL H 3.000 . 3.800 3.563 3.549 3.574 . 0 0 "[ . 1 .]" 1
653 1 97 GLU HA 1 100 VAL H 3.000 . 3.800 3.801 3.691 3.819 0.019 1 0 "[ . 1 .]" 1
654 1 98 GLU HA 1 100 VAL H 4.000 . 5.500 4.897 4.660 5.252 . 0 0 "[ . 1 .]" 1
655 1 96 LEU HA 1 100 VAL H 4.000 . 5.500 4.776 4.617 5.213 . 0 0 "[ . 1 .]" 1
656 1 96 LEU MD2 1 100 VAL H 4.000 . 5.500 5.524 5.502 5.563 0.063 14 0 "[ . 1 .]" 1
657 1 101 HIS H 1 102 ARG H 3.000 . 3.800 2.681 2.335 2.949 . 0 0 "[ . 1 .]" 1
658 1 100 VAL HA 1 101 HIS H 3.000 . 3.800 3.507 3.466 3.553 . 0 0 "[ . 1 .]" 1
659 1 99 LEU HA 1 101 HIS H 4.000 . 5.500 4.407 4.142 4.738 . 0 0 "[ . 1 .]" 1
660 1 98 GLU HA 1 101 HIS H 4.000 . 5.500 3.692 3.354 4.036 . 0 0 "[ . 1 .]" 1
661 1 100 VAL HB 1 101 HIS H 3.000 . 3.800 2.782 2.494 2.948 . 0 0 "[ . 1 .]" 1
662 1 100 VAL MG1 1 101 HIS H 3.000 . 3.800 3.725 3.450 3.835 0.035 14 0 "[ . 1 .]" 1
663 1 101 HIS HA 1 102 ARG H 3.000 . 3.800 3.306 2.882 3.542 . 0 0 "[ . 1 .]" 1
664 1 100 VAL HA 1 102 ARG H 4.000 . 5.500 4.068 3.609 4.453 . 0 0 "[ . 1 .]" 1
665 1 99 LEU HG 1 102 ARG H 4.000 . 5.500 5.327 4.999 5.575 0.075 2 0 "[ . 1 .]" 1
666 1 101 HIS QB 1 102 ARG H 3.000 . 3.800 3.104 2.606 3.812 0.012 5 0 "[ . 1 .]" 1
667 1 100 VAL MG2 1 102 ARG H 4.000 . 5.500 5.245 5.129 5.420 . 0 0 "[ . 1 .]" 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 774
_Distance_constraint_stats_list.Viol_count 1609
_Distance_constraint_stats_list.Viol_total 1063.152
_Distance_constraint_stats_list.Viol_max 0.212
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0441
_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 1 MET 0.005 0.005 4 0 "[ . 1 .]"
1 2 TYR 0.500 0.062 14 0 "[ . 1 .]"
1 3 GLY 0.167 0.036 3 0 "[ . 1 .]"
1 4 LYS 3.753 0.203 6 0 "[ . 1 .]"
1 5 LEU 1.599 0.082 13 0 "[ . 1 .]"
1 6 ASN 4.177 0.203 6 0 "[ . 1 .]"
1 7 ASP 0.048 0.013 14 0 "[ . 1 .]"
1 8 LEU 0.367 0.051 3 0 "[ . 1 .]"
1 9 LEU 2.612 0.176 4 0 "[ . 1 .]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 11 ASP 0.009 0.008 4 0 "[ . 1 .]"
1 12 LEU 1.810 0.141 15 0 "[ . 1 .]"
1 13 GLN 2.210 0.197 6 0 "[ . 1 .]"
1 14 GLU 0.515 0.053 5 0 "[ . 1 .]"
1 15 VAL 3.390 0.141 15 0 "[ . 1 .]"
1 16 LEU 1.484 0.190 6 0 "[ . 1 .]"
1 17 LYS 0.220 0.074 10 0 "[ . 1 .]"
1 18 ASN 0.840 0.082 15 0 "[ . 1 .]"
1 19 LEU 2.215 0.092 8 0 "[ . 1 .]"
1 20 HIS 0.769 0.114 10 0 "[ . 1 .]"
1 21 LYS 1.763 0.134 15 0 "[ . 1 .]"
1 22 ASN 0.016 0.013 4 0 "[ . 1 .]"
1 23 TRP 7.231 0.178 4 0 "[ . 1 .]"
1 24 HIS 0.053 0.013 15 0 "[ . 1 .]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 26 GLY 0.021 0.011 2 0 "[ . 1 .]"
1 27 LYS 0.275 0.039 4 0 "[ . 1 .]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 29 ASN 0.100 0.016 10 0 "[ . 1 .]"
1 30 LEU 2.378 0.135 15 0 "[ . 1 .]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 32 ASP 0.687 0.067 12 0 "[ . 1 .]"
1 33 VAL 4.394 0.129 14 0 "[ . 1 .]"
1 34 ASP 0.890 0.079 5 0 "[ . 1 .]"
1 35 ASN 0.029 0.029 8 0 "[ . 1 .]"
1 36 HIS 1.266 0.104 8 0 "[ . 1 .]"
1 37 LEU 0.565 0.097 4 0 "[ . 1 .]"
1 38 GLN 0.087 0.029 8 0 "[ . 1 .]"
1 39 ASN 0.204 0.019 4 0 "[ . 1 .]"
1 40 VAL 0.241 0.036 5 0 "[ . 1 .]"
1 41 ILE 0.413 0.033 15 0 "[ . 1 .]"
1 42 GLU 2.161 0.175 4 0 "[ . 1 .]"
1 43 ASP 0.055 0.023 2 0 "[ . 1 .]"
1 44 ILE 1.553 0.070 7 0 "[ . 1 .]"
1 45 HIS 0.533 0.070 7 0 "[ . 1 .]"
1 46 ASP 0.215 0.058 14 0 "[ . 1 .]"
1 47 PHE 2.073 0.175 4 0 "[ . 1 .]"
1 48 MET 0.699 0.053 5 0 "[ . 1 .]"
1 49 GLN 0.273 0.044 1 0 "[ . 1 .]"
1 50 GLY 0.086 0.036 3 0 "[ . 1 .]"
1 51 GLY 0.172 0.058 14 0 "[ . 1 .]"
1 53 SER 0.377 0.044 1 0 "[ . 1 .]"
1 54 GLY 0.098 0.018 14 0 "[ . 1 .]"
1 55 GLY 0.134 0.026 11 0 "[ . 1 .]"
1 56 LYS 1.530 0.091 7 0 "[ . 1 .]"
1 57 LEU 1.169 0.081 1 0 "[ . 1 .]"
1 58 GLN 0.134 0.026 11 0 "[ . 1 .]"
1 59 GLU 0.065 0.045 15 0 "[ . 1 .]"
1 60 MET 0.697 0.046 14 0 "[ . 1 .]"
1 61 MET 2.072 0.091 7 0 "[ . 1 .]"
1 62 LYS 0.024 0.012 11 0 "[ . 1 .]"
1 63 GLU 0.476 0.042 5 0 "[ . 1 .]"
1 64 PHE 2.103 0.169 10 0 "[ . 1 .]"
1 65 GLN 0.474 0.051 11 0 "[ . 1 .]"
1 66 GLN 0.011 0.003 7 0 "[ . 1 .]"
1 67 VAL 1.284 0.081 8 0 "[ . 1 .]"
1 68 LEU 6.016 0.197 6 0 "[ . 1 .]"
1 69 ASP 0.014 0.014 14 0 "[ . 1 .]"
1 70 GLU 2.143 0.098 14 0 "[ . 1 .]"
1 71 LEU 5.582 0.182 3 0 "[ . 1 .]"
1 72 ASN 0.091 0.064 8 0 "[ . 1 .]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 74 HIS 1.794 0.153 9 0 "[ . 1 .]"
1 75 LEU 3.391 0.139 3 0 "[ . 1 .]"
1 76 GLN 2.289 0.153 9 0 "[ . 1 .]"
1 77 GLY 0.118 0.027 3 0 "[ . 1 .]"
1 78 GLY 0.027 0.022 14 0 "[ . 1 .]"
1 79 LYS 0.185 0.034 15 0 "[ . 1 .]"
1 80 HIS 0.259 0.086 6 0 "[ . 1 .]"
1 81 THR 6.026 0.212 15 0 "[ . 1 .]"
1 82 VAL 5.997 0.182 15 0 "[ . 1 .]"
1 83 HIS 1.025 0.077 11 0 "[ . 1 .]"
1 84 HIS 0.646 0.058 10 0 "[ . 1 .]"
1 85 ILE 7.383 0.212 15 0 "[ . 1 .]"
1 86 GLU 2.531 0.119 13 0 "[ . 1 .]"
1 87 GLN 0.059 0.025 11 0 "[ . 1 .]"
1 88 ASN 0.520 0.072 6 0 "[ . 1 .]"
1 89 ILE 9.457 0.198 5 0 "[ . 1 .]"
1 90 LYS 2.963 0.176 5 0 "[ . 1 .]"
1 91 GLU 0.026 0.014 13 0 "[ . 1 .]"
1 92 ILE 5.594 0.198 5 0 "[ . 1 .]"
1 93 PHE 3.966 0.191 5 0 "[ . 1 .]"
1 94 HIS 0.097 0.020 14 0 "[ . 1 .]"
1 95 HIS 0.246 0.033 5 0 "[ . 1 .]"
1 96 LEU 6.484 0.191 5 0 "[ . 1 .]"
1 97 GLU 0.065 0.015 2 0 "[ . 1 .]"
1 98 GLU 0.073 0.017 9 0 "[ . 1 .]"
1 99 LEU 0.568 0.047 12 0 "[ . 1 .]"
1 100 VAL 0.338 0.062 14 0 "[ . 1 .]"
1 101 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 102 ARG 0.010 0.010 3 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LEU MD1 1 96 LEU MD1 3.000 . 4.500 4.195 3.885 4.510 0.010 14 0 "[ . 1 .]" 2
2 1 9 LEU MD2 1 41 ILE HA 3.000 . 4.500 3.405 2.564 3.783 . 0 0 "[ . 1 .]" 2
3 1 9 LEU MD2 1 89 ILE MD 4.000 . 6.000 5.430 5.007 5.884 . 0 0 "[ . 1 .]" 2
4 1 9 LEU MD2 1 96 LEU MD1 3.000 . 4.500 1.998 1.797 2.505 0.003 3 0 "[ . 1 .]" 2
5 1 16 LEU MD2 1 89 ILE MD 3.000 . 4.500 1.820 1.731 1.924 0.069 4 0 "[ . 1 .]" 2
6 1 16 LEU MD1 1 89 ILE MG 3.000 . 4.500 4.458 4.094 4.552 0.052 14 0 "[ . 1 .]" 2
7 1 16 LEU MD1 1 30 LEU MD1 3.000 . 4.500 3.482 2.991 4.299 . 0 0 "[ . 1 .]" 2
8 1 19 LEU MD1 1 30 LEU MD1 4.000 . 5.500 3.118 2.300 3.486 . 0 0 "[ . 1 .]" 2
9 1 19 LEU MD2 1 30 LEU MD1 4.000 . 5.500 1.753 1.716 1.775 0.084 14 0 "[ . 1 .]" 2
10 1 19 LEU MD1 1 89 ILE MD 3.000 . 4.500 3.973 3.865 4.181 . 0 0 "[ . 1 .]" 2
11 1 21 LYS QG 1 81 THR MG 3.000 . 4.500 4.604 4.576 4.634 0.134 15 0 "[ . 1 .]" 2
12 1 33 VAL MG1 1 67 VAL MG2 . . 3.400 2.587 1.824 3.427 0.027 13 0 "[ . 1 .]" 2
13 1 30 LEU MD1 1 33 VAL MG1 4.000 . 5.500 1.838 1.760 1.938 0.040 12 0 "[ . 1 .]" 2
14 1 30 LEU MD2 1 33 VAL MG1 4.000 . 5.500 1.800 1.727 1.955 0.073 4 0 "[ . 1 .]" 2
15 1 30 LEU HA 1 33 VAL MG1 4.000 . 5.500 2.830 1.824 3.588 . 0 0 "[ . 1 .]" 2
16 1 37 LEU MD1 1 89 ILE MD 3.000 . 4.500 3.679 3.385 4.092 . 0 0 "[ . 1 .]" 2
17 1 37 LEU MD2 1 40 VAL MG1 4.000 . 5.500 4.734 4.469 5.495 . 0 0 "[ . 1 .]" 2
18 1 37 LEU MD2 1 89 ILE MD 3.000 . 4.500 2.386 2.179 2.789 . 0 0 "[ . 1 .]" 2
19 1 37 LEU HA 1 40 VAL MG1 4.000 . 5.500 4.109 3.424 4.377 . 0 0 "[ . 1 .]" 2
20 1 40 VAL MG1 1 41 ILE HA 4.000 . 5.500 3.575 3.315 3.830 . 0 0 "[ . 1 .]" 2
21 1 41 ILE MD 1 96 LEU MD1 3.000 . 4.500 4.498 4.386 4.531 0.031 4 0 "[ . 1 .]" 2
22 1 41 ILE QG 1 44 ILE QG 4.000 . 5.500 4.728 3.669 5.400 . 0 0 "[ . 1 .]" 2
23 1 44 ILE QG 1 96 LEU MD1 4.000 . 5.500 3.807 3.249 4.387 . 0 0 "[ . 1 .]" 2
24 1 41 ILE HA 1 44 ILE MD 4.000 . 5.500 3.665 2.062 4.820 . 0 0 "[ . 1 .]" 2
25 1 40 VAL HA 1 44 ILE MD 4.000 . 6.000 4.160 3.554 4.641 . 0 0 "[ . 1 .]" 2
26 1 44 ILE MG 1 96 LEU MD1 3.000 . 4.500 2.730 2.428 2.955 . 0 0 "[ . 1 .]" 2
27 1 57 LEU MD1 1 96 LEU MD1 3.000 . 4.500 2.109 1.898 2.435 . 0 0 "[ . 1 .]" 2
28 1 64 PHE HA 1 67 VAL MG1 4.000 . 5.500 4.812 4.709 4.927 . 0 0 "[ . 1 .]" 2
29 1 67 VAL MG1 1 89 ILE QG 4.000 . 5.500 5.345 5.016 5.543 0.043 8 0 "[ . 1 .]" 2
30 1 68 LEU MD1 1 89 ILE MD 2.500 . 4.000 1.758 1.733 1.828 0.067 3 0 "[ . 1 .]" 2
31 1 71 LEU MD1 1 89 ILE MD 4.000 . 5.500 5.650 5.539 5.682 0.182 3 0 "[ . 1 .]" 2
32 1 75 LEU MD2 1 85 ILE MD 4.000 . 6.000 5.202 4.906 5.854 . 0 0 "[ . 1 .]" 2
33 1 75 LEU MD1 1 81 THR MG 4.000 . 5.500 3.429 3.283 3.644 . 0 0 "[ . 1 .]" 2
34 1 85 ILE MD 1 89 ILE MG 3.000 . 4.500 3.981 3.923 4.109 . 0 0 "[ . 1 .]" 2
35 1 85 ILE MG 1 89 ILE MD 3.000 . 4.500 4.275 3.850 4.492 . 0 0 "[ . 1 .]" 2
36 1 89 ILE HA 1 92 ILE MD 4.000 . 5.500 2.661 1.801 3.095 . 0 0 "[ . 1 .]" 2
37 1 89 ILE MD 1 92 ILE MD 3.000 . 4.500 4.426 3.828 4.516 0.016 5 0 "[ . 1 .]" 2
38 1 92 ILE MG 1 96 LEU MD1 3.000 . 4.500 1.757 1.727 1.800 0.073 4 0 "[ . 1 .]" 2
39 1 89 ILE MD 1 92 ILE MG 3.000 . 4.500 4.510 4.347 4.621 0.121 13 0 "[ . 1 .]" 2
40 1 57 LEU MD2 1 96 LEU MD1 2.500 . 4.000 3.548 3.095 3.852 . 0 0 "[ . 1 .]" 2
41 1 96 LEU MD2 1 99 LEU MD2 2.500 . 4.000 3.648 3.349 4.030 0.030 14 0 "[ . 1 .]" 2
42 1 54 GLY H 1 100 VAL MG1 4.000 . 5.500 2.906 1.846 4.166 . 0 0 "[ . 1 .]" 2
43 1 54 GLY H 1 100 VAL MG2 4.000 . 5.500 3.667 2.003 4.660 . 0 0 "[ . 1 .]" 2
44 1 53 SER H 1 100 VAL MG1 4.000 . 5.500 4.868 4.208 5.523 0.023 2 0 "[ . 1 .]" 2
45 1 53 SER H 1 100 VAL MG2 4.000 . 5.500 4.887 4.354 5.509 0.009 1 0 "[ . 1 .]" 2
46 1 54 GLY QA 1 100 VAL MG1 3.000 . 4.500 1.929 1.791 2.213 0.009 2 0 "[ . 1 .]" 2
47 1 54 GLY QA 1 100 VAL MG2 3.000 . 4.500 3.517 3.210 3.906 . 0 0 "[ . 1 .]" 2
48 1 97 GLU HA 1 100 VAL MG1 4.000 . 5.500 5.076 4.924 5.184 . 0 0 "[ . 1 .]" 2
49 1 97 GLU HA 1 100 VAL MG2 4.000 . 5.500 3.696 3.376 3.981 . 0 0 "[ . 1 .]" 2
50 1 57 LEU MD2 1 100 VAL MG2 3.000 . 4.500 2.350 1.891 2.704 . 0 0 "[ . 1 .]" 2
51 1 1 MET QB 1 3 GLY H 4.000 . 5.500 4.605 3.177 5.505 0.005 4 0 "[ . 1 .]" 2
52 1 6 ASN QB 1 9 LEU H 3.000 . 4.200 4.284 4.237 4.376 0.176 4 0 "[ . 1 .]" 2
53 1 5 LEU MD1 1 9 LEU H 3.000 . 3.800 3.495 3.292 3.685 . 0 0 "[ . 1 .]" 2
54 1 12 LEU MD2 1 40 VAL MG1 3.000 . 4.500 4.380 4.053 4.536 0.036 5 0 "[ . 1 .]" 2
55 1 12 LEU QB 1 15 VAL H 4.000 . 5.500 4.754 4.681 5.018 . 0 0 "[ . 1 .]" 2
56 1 23 TRP HE1 1 30 LEU MD1 4.000 . 5.500 4.832 4.623 4.989 . 0 0 "[ . 1 .]" 2
57 1 23 TRP HE1 1 30 LEU MD2 4.000 . 5.500 3.271 3.010 3.572 . 0 0 "[ . 1 .]" 2
58 1 32 ASP H 1 33 VAL HB 4.000 . 5.500 4.480 4.258 4.626 . 0 0 "[ . 1 .]" 2
59 1 40 VAL HB 1 44 ILE H 4.000 . 5.500 5.347 5.139 5.529 0.029 11 0 "[ . 1 .]" 2
60 1 57 LEU QB 1 59 GLU H 4.000 . 5.500 5.318 5.253 5.367 . 0 0 "[ . 1 .]" 2
61 1 56 LYS QB 1 59 GLU H 4.000 . 5.500 5.120 4.905 5.336 . 0 0 "[ . 1 .]" 2
62 1 59 GLU QB 1 60 MET H 3.000 . 3.800 2.845 2.716 2.952 . 0 0 "[ . 1 .]" 2
63 1 64 PHE H 1 89 ILE MG 4.000 . 6.000 6.072 6.030 6.169 0.169 10 0 "[ . 1 .]" 2
64 1 65 GLN H 1 89 ILE MG 4.000 . 6.000 4.683 4.600 4.825 . 0 0 "[ . 1 .]" 2
65 1 65 GLN H 1 89 ILE HG12 4.000 . 5.500 5.527 5.468 5.551 0.051 11 0 "[ . 1 .]" 2
66 1 64 PHE QB 1 66 GLN H 4.000 . 5.500 5.122 5.044 5.188 . 0 0 "[ . 1 .]" 2
67 1 79 LYS QB 1 81 THR H 4.000 . 5.500 4.768 4.556 5.126 . 0 0 "[ . 1 .]" 2
68 1 81 THR HB 1 84 HIS H 4.000 . 5.500 5.539 5.517 5.558 0.058 10 0 "[ . 1 .]" 2
69 1 85 ILE MG 1 86 GLU H 3.000 . 4.500 3.157 2.095 3.351 . 0 0 "[ . 1 .]" 2
70 1 87 GLN QB 1 88 ASN QD 4.000 . 5.500 3.275 2.850 5.463 . 0 0 "[ . 1 .]" 2
71 1 86 GLU QG 1 88 ASN QD 4.000 . 5.500 5.492 5.395 5.567 0.067 7 0 "[ . 1 .]" 2
72 1 93 PHE H 1 96 LEU H 4.000 . 5.500 4.767 4.648 4.853 . 0 0 "[ . 1 .]" 2
73 1 53 SER HA 1 100 VAL MG1 4.000 . 5.500 4.038 3.712 4.673 . 0 0 "[ . 1 .]" 2
74 1 53 SER HA 1 100 VAL MG2 4.000 . 5.500 3.402 3.096 3.730 . 0 0 "[ . 1 .]" 2
75 1 2 TYR QB 1 3 GLY H 4.000 . 5.500 3.506 2.851 3.914 . 0 0 "[ . 1 .]" 2
76 1 70 GLU QG 1 71 LEU H 3.000 . 4.200 4.135 4.028 4.216 0.016 8 0 "[ . 1 .]" 2
77 1 99 LEU QB 1 100 VAL H 4.000 . 5.500 2.183 1.946 2.401 . 0 0 "[ . 1 .]" 2
78 1 99 LEU HG 1 100 VAL H 4.000 . 5.500 3.593 3.321 4.184 . 0 0 "[ . 1 .]" 2
79 1 40 VAL MG1 1 64 PHE HA 4.000 . 5.500 4.109 3.755 4.429 . 0 0 "[ . 1 .]" 2
80 1 68 LEU QB 1 82 VAL MG1 4.000 . 5.500 3.459 2.999 3.588 . 0 0 "[ . 1 .]" 2
81 1 68 LEU MD1 1 82 VAL MG1 3.000 . 4.500 4.072 3.932 4.543 0.043 15 0 "[ . 1 .]" 2
82 1 72 ASN HA 1 82 VAL MG1 4.000 . 5.500 2.920 2.052 3.816 . 0 0 "[ . 1 .]" 2
83 1 68 LEU HA 1 82 VAL MG1 3.000 . 3.800 3.941 3.813 3.970 0.170 6 0 "[ . 1 .]" 2
84 1 75 LEU HA 1 81 THR MG 4.000 . 5.500 5.613 5.573 5.639 0.139 3 0 "[ . 1 .]" 2
85 1 15 VAL MG2 1 81 THR MG 3.000 . 4.500 4.562 4.544 4.596 0.096 15 0 "[ . 1 .]" 2
86 1 81 THR MG 1 85 ILE MD 4.000 . 5.500 3.829 3.448 4.165 . 0 0 "[ . 1 .]" 2
87 1 68 LEU MD2 1 82 VAL HA 4.000 . 5.500 3.485 2.728 3.714 . 0 0 "[ . 1 .]" 2
88 1 44 ILE HA 1 96 LEU MD2 4.000 . 5.500 5.116 4.869 5.506 0.006 15 0 "[ . 1 .]" 2
89 1 19 LEU HA 1 82 VAL MG2 3.000 . 4.500 3.048 2.824 4.547 0.047 6 0 "[ . 1 .]" 2
90 1 33 VAL MG2 1 67 VAL HA 4.000 . 4.500 2.549 1.817 3.020 . 0 0 "[ . 1 .]" 2
91 1 64 PHE HA 1 67 VAL MG2 4.000 . 5.500 2.700 2.294 3.247 . 0 0 "[ . 1 .]" 2
92 1 33 VAL HA 1 67 VAL MG2 4.000 . 5.500 3.487 3.053 3.761 . 0 0 "[ . 1 .]" 2
93 1 20 HIS HA 1 30 LEU MD1 4.000 . 5.500 3.477 3.229 3.825 . 0 0 "[ . 1 .]" 2
94 1 23 TRP QB 1 30 LEU MD1 4.000 . 5.500 4.310 4.004 4.553 . 0 0 "[ . 1 .]" 2
95 1 13 GLN HA 1 89 ILE QG 4.000 . 5.500 5.464 5.196 5.527 0.027 7 0 "[ . 1 .]" 2
96 1 13 GLN HA 1 89 ILE MD 4.000 . 5.500 4.152 4.038 4.257 . 0 0 "[ . 1 .]" 2
97 1 82 VAL HA 1 85 ILE MG 4.000 . 5.500 1.759 1.618 1.797 0.182 15 0 "[ . 1 .]" 2
98 1 9 LEU HA 1 92 ILE MD 4.000 . 5.500 4.049 3.338 4.482 . 0 0 "[ . 1 .]" 2
99 1 8 LEU HA 1 92 ILE MD 4.000 . 5.500 4.924 4.497 5.479 . 0 0 "[ . 1 .]" 2
100 1 89 ILE HA 1 92 ILE MG 4.000 . 5.500 3.250 2.718 3.727 . 0 0 "[ . 1 .]" 2
101 1 18 ASN HA 1 21 LYS QG 4.000 . 5.500 3.307 3.009 4.773 . 0 0 "[ . 1 .]" 2
102 1 4 LYS HB3 1 5 LEU H 4.000 . 5.500 3.174 3.076 3.257 . 0 0 "[ . 1 .]" 2
103 1 4 LYS HB2 1 5 LEU H 4.000 . 5.500 4.108 4.052 4.173 . 0 0 "[ . 1 .]" 2
104 1 4 LYS HB3 1 6 ASN H 4.000 . 5.500 4.856 4.799 4.900 . 0 0 "[ . 1 .]" 2
105 1 4 LYS HB2 1 6 ASN H 4.000 . 5.500 5.315 5.261 5.351 . 0 0 "[ . 1 .]" 2
106 1 4 LYS QB 1 5 LEU MD1 4.000 . 5.500 5.547 5.512 5.582 0.082 13 0 "[ . 1 .]" 2
107 1 4 LYS QB 1 5 LEU MD2 4.000 . 5.500 4.350 4.119 4.594 . 0 0 "[ . 1 .]" 2
108 1 4 LYS QG 1 5 LEU MD1 4.000 . 5.500 5.497 5.399 5.528 0.028 13 0 "[ . 1 .]" 2
109 1 4 LYS QG 1 5 LEU MD2 4.000 . 5.500 4.982 4.684 5.236 . 0 0 "[ . 1 .]" 2
110 1 6 ASN HA 1 9 LEU MD1 4.000 . 5.500 2.330 1.945 3.141 . 0 0 "[ . 1 .]" 2
111 1 9 LEU QB 1 96 LEU MD1 4.000 . 5.500 4.481 4.014 4.705 . 0 0 "[ . 1 .]" 2
112 1 9 LEU QB 1 96 LEU MD2 4.000 . 5.500 3.588 2.916 3.972 . 0 0 "[ . 1 .]" 2
113 1 15 VAL HA 1 85 ILE MG 4.000 . 5.500 4.150 3.871 5.578 0.078 6 0 "[ . 1 .]" 2
114 1 19 LEU HA 1 30 LEU MD1 4.000 . 6.000 5.950 5.851 6.046 0.046 8 0 "[ . 1 .]" 2
115 1 32 ASP HA 1 34 ASP H 4.000 . 5.500 5.093 4.762 5.322 . 0 0 "[ . 1 .]" 2
116 1 33 VAL HA 1 67 VAL MG1 4.000 . 6.000 4.171 3.806 4.618 . 0 0 "[ . 1 .]" 2
117 1 36 HIS QB 1 67 VAL MG2 4.000 . 5.500 2.432 2.249 2.780 . 0 0 "[ . 1 .]" 2
118 1 37 LEU HA 1 67 VAL MG2 4.000 . 5.500 2.948 2.381 3.753 . 0 0 "[ . 1 .]" 2
119 1 37 LEU HA 1 40 VAL MG2 . . 3.400 2.272 1.882 2.820 . 0 0 "[ . 1 .]" 2
120 1 44 ILE MG 1 45 HIS HA 4.000 . 5.500 3.882 3.485 4.625 . 0 0 "[ . 1 .]" 2
121 1 44 ILE MG 1 47 PHE QB 4.000 . 5.500 3.871 3.260 4.264 . 0 0 "[ . 1 .]" 2
122 1 44 ILE MD 1 47 PHE QB 4.000 . 5.500 4.730 3.835 5.526 0.026 13 0 "[ . 1 .]" 2
123 1 54 GLY QA 1 57 LEU QB 4.000 . 5.500 4.726 4.246 5.149 . 0 0 "[ . 1 .]" 2
124 1 54 GLY QA 1 57 LEU MD2 4.000 . 5.500 5.333 4.821 5.518 0.018 14 0 "[ . 1 .]" 2
125 1 40 VAL MG2 1 64 PHE HA 4.000 . 5.500 3.093 2.596 3.659 . 0 0 "[ . 1 .]" 2
126 1 40 VAL MG2 1 64 PHE QB 4.000 . 5.500 2.916 2.127 3.731 . 0 0 "[ . 1 .]" 2
127 1 64 PHE QB 1 89 ILE MD 4.000 . 5.500 4.249 3.918 4.541 . 0 0 "[ . 1 .]" 2
128 1 33 VAL MG1 1 67 VAL HA 4.000 . 5.500 2.354 1.756 3.404 0.044 12 0 "[ . 1 .]" 2
129 1 68 LEU HA 1 71 LEU MD1 4.000 . 5.500 3.772 2.289 4.025 . 0 0 "[ . 1 .]" 2
130 1 33 VAL MG2 1 70 GLU QB 4.000 . 5.500 1.973 1.823 2.186 . 0 0 "[ . 1 .]" 2
131 1 33 VAL MG1 1 70 GLU QB 4.000 . 5.500 2.845 2.661 3.059 . 0 0 "[ . 1 .]" 2
132 1 75 LEU MD1 1 78 GLY QA 4.000 . 5.500 3.105 2.470 3.761 . 0 0 "[ . 1 .]" 2
133 1 75 LEU MD2 1 78 GLY QA 4.000 . 5.500 5.323 4.783 5.522 0.022 14 0 "[ . 1 .]" 2
134 1 75 LEU MD1 1 81 THR HA 4.000 . 5.500 5.273 5.145 5.437 . 0 0 "[ . 1 .]" 2
135 1 68 LEU MD2 1 86 GLU QG 3.000 . 4.500 3.411 3.295 3.633 . 0 0 "[ . 1 .]" 2
136 1 68 LEU MD1 1 86 GLU QG 4.000 . 5.500 5.490 5.416 5.516 0.016 6 0 "[ . 1 .]" 2
137 1 92 ILE MG 1 93 PHE HA 4.000 . 5.500 2.861 2.783 3.037 . 0 0 "[ . 1 .]" 2
138 1 57 LEU MD2 1 97 GLU HA 3.000 . 4.500 2.526 1.831 4.165 . 0 0 "[ . 1 .]" 2
139 1 4 LYS HA 1 7 ASP QB 3.000 . 3.800 3.576 3.245 3.813 0.013 14 0 "[ . 1 .]" 2
140 1 5 LEU HA 1 8 LEU QB 3.000 . 3.800 3.136 2.772 3.391 . 0 0 "[ . 1 .]" 2
141 1 6 ASN HA 1 9 LEU QB 3.000 . 3.800 1.936 1.804 2.171 . 0 0 "[ . 1 .]" 2
142 1 7 ASP HA 1 10 GLU QB 3.000 . 3.800 3.206 2.946 3.584 . 0 0 "[ . 1 .]" 2
143 1 8 LEU HA 1 11 ASP QB 3.000 . 3.800 3.505 3.276 3.801 0.001 5 0 "[ . 1 .]" 2
144 1 9 LEU HA 1 12 LEU QB 3.000 . 3.800 3.001 2.511 3.337 . 0 0 "[ . 1 .]" 2
145 1 11 ASP HA 1 14 GLU QB 3.000 . 3.800 2.814 2.608 3.808 0.008 4 0 "[ . 1 .]" 2
146 1 12 LEU HA 1 15 VAL HB 3.000 . 3.800 2.621 2.447 2.885 . 0 0 "[ . 1 .]" 2
147 1 15 VAL HA 1 18 ASN QB 3.000 . 3.800 3.633 3.295 3.803 0.003 14 0 "[ . 1 .]" 2
148 1 17 LYS HA 1 20 HIS QB 3.000 . 3.800 3.521 3.072 3.874 0.074 10 0 "[ . 1 .]" 2
149 1 20 HIS HA 1 23 TRP QB 3.000 . 3.800 3.175 2.604 3.704 . 0 0 "[ . 1 .]" 2
150 1 27 LYS HA 1 30 LEU QB 3.000 . 3.800 2.256 1.894 2.528 . 0 0 "[ . 1 .]" 2
151 1 28 ASP HA 1 31 HIS QB 3.000 . 3.800 2.818 2.384 3.128 . 0 0 "[ . 1 .]" 2
152 1 30 LEU HA 1 33 VAL HB 3.000 . 3.800 2.449 1.937 3.293 . 0 0 "[ . 1 .]" 2
153 1 31 HIS HA 1 34 ASP QB 3.000 . 3.800 3.231 3.030 3.357 . 0 0 "[ . 1 .]" 2
154 1 32 ASP HA 1 35 ASN QB 3.000 . 3.800 2.495 2.107 2.746 . 0 0 "[ . 1 .]" 2
155 1 33 VAL HA 1 36 HIS QB 3.000 . 3.800 3.141 3.024 3.341 . 0 0 "[ . 1 .]" 2
156 1 34 ASP HA 1 37 LEU QB 3.000 . 3.800 2.372 1.998 3.603 . 0 0 "[ . 1 .]" 2
157 1 35 ASN HA 1 38 GLN QB 3.000 . 3.800 2.945 1.897 3.829 0.029 8 0 "[ . 1 .]" 2
158 1 37 LEU HA 1 40 VAL HB 3.000 . 3.800 2.944 1.947 3.403 . 0 0 "[ . 1 .]" 2
159 1 38 GLN HA 1 41 ILE HB 3.000 . 3.800 3.210 2.828 3.689 . 0 0 "[ . 1 .]" 2
160 1 39 ASN HA 1 42 GLU QB 3.000 . 3.800 3.813 3.801 3.819 0.019 4 0 "[ . 1 .]" 2
161 1 40 VAL HA 1 43 ASP QB 3.000 . 3.800 2.385 2.060 2.879 . 0 0 "[ . 1 .]" 2
162 1 42 GLU HA 1 45 HIS QB 3.000 . 3.800 3.113 1.943 3.813 0.013 9 0 "[ . 1 .]" 2
163 1 43 ASP HA 1 46 ASP QB 3.000 . 3.800 3.093 2.945 3.376 . 0 0 "[ . 1 .]" 2
164 1 44 ILE HA 1 47 PHE QB 3.000 . 3.800 2.538 1.798 2.910 0.002 3 0 "[ . 1 .]" 2
165 1 46 ASP HA 1 49 GLN QB 3.000 . 3.800 3.632 3.283 3.814 0.014 2 0 "[ . 1 .]" 2
166 1 55 GLY QA 1 58 GLN QB 3.000 . 3.800 3.778 3.590 3.826 0.026 11 0 "[ . 1 .]" 2
167 1 56 LYS HA 1 59 GLU QB 3.000 . 3.800 3.693 3.527 3.785 . 0 0 "[ . 1 .]" 2
168 1 57 LEU HA 1 60 MET QB 3.000 . 3.800 2.692 2.538 2.900 . 0 0 "[ . 1 .]" 2
169 1 61 MET HA 1 64 PHE QB 3.000 . 3.800 3.816 3.807 3.825 0.025 1 0 "[ . 1 .]" 2
170 1 62 LYS HA 1 65 GLN QB 3.000 . 3.800 2.739 2.431 3.807 0.007 9 0 "[ . 1 .]" 2
171 1 64 PHE HA 1 67 VAL HB 3.000 . 3.800 3.772 3.590 3.820 0.020 7 0 "[ . 1 .]" 2
172 1 65 GLN HA 1 68 LEU QB 3.000 . 3.800 3.092 2.783 3.432 . 0 0 "[ . 1 .]" 2
173 1 67 VAL HA 1 70 GLU QB 3.000 . 3.800 3.746 3.608 3.810 0.010 13 0 "[ . 1 .]" 2
174 1 68 LEU HA 1 71 LEU QB 3.000 . 3.800 1.945 1.799 2.030 0.001 15 0 "[ . 1 .]" 2
175 1 69 ASP HA 1 72 ASN QB 3.000 . 3.800 3.066 2.684 3.814 0.014 14 0 "[ . 1 .]" 2
176 1 70 GLU HA 1 73 ASN QB 3.000 . 3.800 3.117 2.753 3.341 . 0 0 "[ . 1 .]" 2
177 1 71 LEU HA 1 74 HIS QB 3.000 . 3.800 3.379 3.106 3.765 . 0 0 "[ . 1 .]" 2
178 1 79 LYS HA 1 82 VAL HB 3.000 . 3.800 3.316 2.979 3.803 0.003 6 0 "[ . 1 .]" 2
179 1 80 HIS HA 1 83 HIS QB 3.000 . 3.800 2.446 2.300 2.782 . 0 0 "[ . 1 .]" 2
180 1 81 THR HA 1 84 HIS QB 3.000 . 3.800 3.282 2.950 3.431 . 0 0 "[ . 1 .]" 2
181 1 83 HIS HA 1 86 GLU QB 3.000 . 3.800 3.868 3.860 3.877 0.077 11 0 "[ . 1 .]" 2
182 1 84 HIS HA 1 87 GLN QB 3.000 . 3.800 2.900 2.450 3.050 . 0 0 "[ . 1 .]" 2
183 1 85 ILE HA 1 88 ASN QB 3.000 . 3.800 2.339 2.236 2.408 . 0 0 "[ . 1 .]" 2
184 1 89 ILE HA 1 92 ILE HB 3.000 . 3.800 1.938 1.794 2.435 0.006 5 0 "[ . 1 .]" 2
185 1 90 LYS HA 1 93 PHE QB 3.000 . 3.800 3.772 3.654 3.813 0.013 5 0 "[ . 1 .]" 2
186 1 91 GLU HA 1 94 HIS QB 3.000 . 3.800 2.825 2.584 3.082 . 0 0 "[ . 1 .]" 2
187 1 92 ILE HA 1 95 HIS QB 3.000 . 3.800 3.419 2.872 3.760 . 0 0 "[ . 1 .]" 2
188 1 93 PHE HA 1 96 LEU QB 3.000 . 3.800 1.891 1.842 2.009 . 0 0 "[ . 1 .]" 2
189 1 94 HIS HA 1 97 GLU QB 3.000 . 3.800 3.478 3.262 3.613 . 0 0 "[ . 1 .]" 2
190 1 95 HIS HA 1 98 GLU QB 3.000 . 3.800 2.345 2.099 2.945 . 0 0 "[ . 1 .]" 2
191 1 96 LEU HA 1 99 LEU QB 3.000 . 3.800 3.164 2.942 3.814 0.014 2 0 "[ . 1 .]" 2
192 1 97 GLU HA 1 100 VAL HB 3.000 . 3.800 3.724 3.542 3.815 0.015 2 0 "[ . 1 .]" 2
193 1 99 LEU HA 1 102 ARG QB 3.000 . 3.800 3.026 2.639 3.810 0.010 3 0 "[ . 1 .]" 2
194 1 10 GLU HA 1 13 GLN QB 3.000 . 3.800 3.045 2.671 3.185 . 0 0 "[ . 1 .]" 2
195 1 16 LEU HA 1 19 LEU QB 3.000 . 3.800 1.897 1.826 2.051 . 0 0 "[ . 1 .]" 2
196 1 18 ASN HA 1 21 LYS QB 3.000 . 3.800 3.768 3.258 3.829 0.029 3 0 "[ . 1 .]" 2
197 1 19 LEU HA 1 22 ASN QB 3.000 . 3.800 3.133 2.659 3.722 . 0 0 "[ . 1 .]" 2
198 1 29 ASN HA 1 32 ASP QB 3.000 . 3.800 3.744 3.519 3.816 0.016 10 0 "[ . 1 .]" 2
199 1 36 HIS HA 1 39 ASN QB 3.000 . 3.800 2.791 2.450 3.533 . 0 0 "[ . 1 .]" 2
200 1 41 ILE HA 1 44 ILE HB 3.000 . 3.800 2.875 2.602 3.652 . 0 0 "[ . 1 .]" 2
201 1 59 GLU HA 1 62 LYS QB 3.000 . 3.800 3.511 3.323 3.812 0.012 11 0 "[ . 1 .]" 2
202 1 60 MET HA 1 63 GLU QB 3.000 . 3.800 2.575 2.183 2.840 . 0 0 "[ . 1 .]" 2
203 1 63 GLU HA 1 66 GLN QB 3.000 . 3.800 2.688 2.300 2.931 . 0 0 "[ . 1 .]" 2
204 1 66 GLN HA 1 69 ASP QB 3.000 . 3.800 2.259 1.995 3.151 . 0 0 "[ . 1 .]" 2
205 1 82 VAL HA 1 85 ILE HB 3.000 . 3.800 3.953 3.909 3.981 0.181 14 0 "[ . 1 .]" 2
206 1 87 GLN HA 1 90 LYS QB 3.000 . 3.800 3.109 2.878 3.324 . 0 0 "[ . 1 .]" 2
207 1 98 GLU HA 1 101 HIS QB 3.000 . 3.800 2.769 2.273 3.554 . 0 0 "[ . 1 .]" 2
208 1 1 MET HA 1 2 TYR QD 4.000 . 5.500 4.228 2.763 5.489 . 0 0 "[ . 1 .]" 2
209 1 3 GLY H 1 4 LYS HA 4.000 . 5.500 4.563 4.450 4.924 . 0 0 "[ . 1 .]" 2
210 1 32 ASP HA 1 35 ASN QD 4.000 . 5.500 4.139 2.110 5.426 . 0 0 "[ . 1 .]" 2
211 1 7 ASP QB 1 8 LEU HA 4.000 . 5.500 4.118 3.929 4.654 . 0 0 "[ . 1 .]" 2
212 1 11 ASP H 1 12 LEU HA 4.000 . 5.500 5.396 5.190 5.456 . 0 0 "[ . 1 .]" 2
213 1 12 LEU HA 1 15 VAL MG2 3.900 2.700 5.400 3.825 3.722 3.918 . 0 0 "[ . 1 .]" 2
214 1 18 ASN H 1 19 LEU HA 4.000 . 5.500 5.112 5.005 5.208 . 0 0 "[ . 1 .]" 2
215 1 30 LEU HA 1 33 VAL MG2 4.000 . 5.500 3.583 2.827 4.395 . 0 0 "[ . 1 .]" 2
216 1 37 LEU HA 1 39 ASN H 4.000 . 5.500 4.327 3.952 4.510 . 0 0 "[ . 1 .]" 2
217 1 37 LEU HA 1 41 ILE H 4.000 . 5.500 4.467 3.904 4.729 . 0 0 "[ . 1 .]" 2
218 1 12 LEU MD2 1 37 LEU HA 4.000 . 5.500 5.147 4.765 5.525 0.025 6 0 "[ . 1 .]" 2
219 1 57 LEU MD1 1 61 MET HA 4.000 . 5.500 3.314 2.880 3.930 . 0 0 "[ . 1 .]" 2
220 1 60 MET QB 1 61 MET HA 4.000 . 5.500 3.991 3.906 4.246 . 0 0 "[ . 1 .]" 2
221 1 61 MET HA 1 65 GLN H 4.000 . 5.500 4.557 4.284 4.701 . 0 0 "[ . 1 .]" 2
222 1 61 MET HA 1 64 PHE HZ 4.000 . 5.500 4.560 4.391 4.921 . 0 0 "[ . 1 .]" 2
223 1 61 MET HA 1 64 PHE QE 4.000 . 5.500 2.352 2.200 2.618 . 0 0 "[ . 1 .]" 2
224 1 61 MET HA 1 64 PHE QD 4.000 . 5.500 1.917 1.822 1.980 . 0 0 "[ . 1 .]" 2
225 1 7 ASP HA 1 10 GLU QG 4.000 . 5.500 4.179 2.692 5.185 . 0 0 "[ . 1 .]" 2
226 1 13 GLN HA 1 14 GLU H 4.000 . 5.500 3.527 3.508 3.552 . 0 0 "[ . 1 .]" 2
227 1 12 LEU MD1 1 13 GLN HA 4.000 . 5.500 4.087 2.547 4.387 . 0 0 "[ . 1 .]" 2
228 1 13 GLN HA 1 16 LEU HA 4.000 . 5.500 5.501 5.404 5.538 0.038 5 0 "[ . 1 .]" 2
229 1 15 VAL HA 1 16 LEU HA 4.000 . 5.500 4.795 4.755 4.828 . 0 0 "[ . 1 .]" 2
230 1 20 HIS HA 1 24 HIS H 4.000 . 5.500 5.104 4.847 5.395 . 0 0 "[ . 1 .]" 2
231 1 20 HIS HA 1 30 LEU HG 4.000 . 5.500 1.921 1.765 2.467 0.035 10 0 "[ . 1 .]" 2
232 1 23 TRP HE1 1 25 GLY QA 4.000 . 5.500 4.889 4.570 5.160 . 0 0 "[ . 1 .]" 2
233 1 26 GLY QA 1 29 ASN H 4.000 . 5.000 4.024 3.237 5.008 0.008 9 0 "[ . 1 .]" 2
234 1 25 GLY H 1 26 GLY QA 4.000 . 5.500 4.684 4.209 5.462 . 0 0 "[ . 1 .]" 2
235 1 23 TRP HE1 1 26 GLY QA 4.000 . 5.500 4.849 4.453 5.101 . 0 0 "[ . 1 .]" 2
236 1 26 GLY QA 1 27 LYS HA 4.000 . 5.500 4.042 3.916 4.186 . 0 0 "[ . 1 .]" 2
237 1 26 GLY QA 1 27 LYS QB 4.000 . 5.500 3.881 3.818 4.013 . 0 0 "[ . 1 .]" 2
238 1 27 LYS H 1 28 ASP HA 4.000 . 5.500 5.054 4.724 5.335 . 0 0 "[ . 1 .]" 2
239 1 30 LEU QB 1 31 HIS HA 4.000 . 5.500 3.927 3.865 3.992 . 0 0 "[ . 1 .]" 2
240 1 34 ASP HA 1 37 LEU MD2 4.000 . 4.500 3.773 2.562 4.035 . 0 0 "[ . 1 .]" 2
241 1 41 ILE HA 1 43 ASP H 4.000 . 5.500 4.269 4.068 4.528 . 0 0 "[ . 1 .]" 2
242 1 40 VAL H 1 41 ILE HA 4.000 . 5.500 5.169 5.031 5.326 . 0 0 "[ . 1 .]" 2
243 1 44 ILE HA 1 45 HIS QB 4.000 . 5.500 5.367 5.299 5.511 0.011 6 0 "[ . 1 .]" 2
244 1 44 ILE HA 1 96 LEU MD1 4.000 . 6.000 5.686 5.468 5.941 . 0 0 "[ . 1 .]" 2
245 1 45 HIS HA 1 48 MET QB 4.000 . 5.500 3.102 2.036 4.195 . 0 0 "[ . 1 .]" 2
246 1 46 ASP HA 1 48 MET H 4.000 . 5.500 4.509 3.973 5.003 . 0 0 "[ . 1 .]" 2
247 1 47 PHE HA 1 51 GLY H 4.000 . 5.500 2.428 1.976 3.224 . 0 0 "[ . 1 .]" 2
248 1 47 PHE HA 1 50 GLY H 4.000 . 5.500 3.437 2.943 3.851 . 0 0 "[ . 1 .]" 2
249 1 46 ASP H 1 47 PHE HA 4.000 . 5.500 5.016 4.908 5.187 . 0 0 "[ . 1 .]" 2
250 1 54 GLY QA 1 57 LEU H 4.000 . 5.500 4.777 4.497 5.122 . 0 0 "[ . 1 .]" 2
251 1 55 GLY QA 1 58 GLN H 4.000 . 5.500 3.830 3.663 4.044 . 0 0 "[ . 1 .]" 2
252 1 54 GLY H 1 55 GLY QA 4.000 . 5.500 4.706 4.195 4.892 . 0 0 "[ . 1 .]" 2
253 1 55 GLY QA 1 58 GLN QG 4.000 . 5.500 2.765 2.010 3.636 . 0 0 "[ . 1 .]" 2
254 1 56 LYS HA 1 61 MET H 4.000 . 5.500 5.566 5.528 5.591 0.091 7 0 "[ . 1 .]" 2
255 1 62 LYS HA 1 65 GLN QG 4.000 . 5.500 4.193 1.880 4.979 . 0 0 "[ . 1 .]" 2
256 1 65 GLN HA 1 68 LEU MD1 4.000 . 6.000 2.902 2.760 3.027 . 0 0 "[ . 1 .]" 2
257 1 57 LEU HA 1 60 MET QG 4.000 . 5.500 4.279 4.055 4.578 . 0 0 "[ . 1 .]" 2
258 1 72 ASN HA 1 82 VAL MG2 4.000 . 5.500 3.187 2.606 4.184 . 0 0 "[ . 1 .]" 2
259 1 82 VAL MG2 1 83 HIS HA 4.000 . 5.500 5.317 4.971 5.378 . 0 0 "[ . 1 .]" 2
260 1 82 VAL HA 1 85 ILE MD 3.000 . 3.800 3.211 2.925 3.607 . 0 0 "[ . 1 .]" 2
261 1 84 HIS HA 1 86 GLU H 4.000 . 5.500 4.416 4.091 4.536 . 0 0 "[ . 1 .]" 2
262 1 83 HIS HA 1 84 HIS HA 4.000 . 5.500 4.705 4.695 4.713 . 0 0 "[ . 1 .]" 2
263 1 89 ILE QG 1 92 ILE HA 4.000 . 5.500 5.632 5.553 5.698 0.198 5 0 "[ . 1 .]" 2
264 1 89 ILE HA 1 92 ILE HA 4.000 . 5.500 4.539 4.491 4.682 . 0 0 "[ . 1 .]" 2
265 1 93 PHE HA 1 96 LEU MD1 4.000 . 5.500 2.154 2.018 2.319 . 0 0 "[ . 1 .]" 2
266 1 93 PHE HA 1 96 LEU MD2 4.000 . 5.500 4.317 4.270 4.362 . 0 0 "[ . 1 .]" 2
267 1 94 HIS HA 1 95 HIS HA 4.000 . 5.500 4.716 4.695 4.745 . 0 0 "[ . 1 .]" 2
268 1 9 LEU HA 1 13 GLN H 4.000 . 5.500 4.729 4.232 5.197 . 0 0 "[ . 1 .]" 2
269 1 9 LEU HA 1 96 LEU MD2 3.000 . 3.800 3.862 3.842 3.899 0.099 2 0 "[ . 1 .]" 2
270 1 100 VAL HA 1 101 HIS HA 4.000 . 5.500 4.712 4.596 4.812 . 0 0 "[ . 1 .]" 2
271 1 23 TRP HE1 1 27 LYS HA 4.000 . 5.500 3.904 3.228 4.386 . 0 0 "[ . 1 .]" 2
272 1 27 LYS HA 1 30 LEU MD1 4.000 . 5.500 4.206 3.756 4.692 . 0 0 "[ . 1 .]" 2
273 1 38 GLN HA 1 41 ILE MD 3.000 . 4.500 3.953 2.324 4.525 0.025 4 0 "[ . 1 .]" 2
274 1 95 HIS HA 1 98 GLU QG 4.000 . 5.500 3.628 2.249 4.625 . 0 0 "[ . 1 .]" 2
275 1 59 GLU H 1 60 MET HA 4.000 . 5.500 4.945 4.914 4.983 . 0 0 "[ . 1 .]" 2
276 1 40 VAL MG2 1 63 GLU HA 4.000 . 4.500 3.979 3.776 4.306 . 0 0 "[ . 1 .]" 2
277 1 40 VAL MG1 1 63 GLU HA 4.000 . 5.500 5.331 5.061 5.507 0.007 13 0 "[ . 1 .]" 2
278 1 23 TRP HE1 1 30 LEU QB 4.000 . 5.500 2.192 2.029 2.431 . 0 0 "[ . 1 .]" 2
279 1 27 LYS QB 1 30 LEU QB 4.000 . 5.500 3.743 3.551 3.906 . 0 0 "[ . 1 .]" 2
280 1 6 ASN QB 1 7 ASP H 4.000 . 5.500 3.195 2.471 3.412 . 0 0 "[ . 1 .]" 2
281 1 6 ASN QB 1 9 LEU MD1 3.000 . 4.500 3.291 2.819 3.833 . 0 0 "[ . 1 .]" 2
282 1 6 ASN QB 1 9 LEU HG 4.000 . 6.000 5.209 4.653 5.768 . 0 0 "[ . 1 .]" 2
283 1 4 LYS QD 1 7 ASP QB 2.500 . 3.400 3.036 2.343 3.413 0.013 14 0 "[ . 1 .]" 2
284 1 8 LEU QB 1 9 LEU H 4.000 . 5.500 2.830 2.643 2.916 . 0 0 "[ . 1 .]" 2
285 1 8 LEU QB 1 96 LEU MD2 4.000 . 5.500 4.361 3.897 4.923 . 0 0 "[ . 1 .]" 2
286 1 10 GLU QB 1 11 ASP H 2.500 . 3.400 2.584 2.430 2.746 . 0 0 "[ . 1 .]" 2
287 1 14 GLU QB 1 15 VAL H 4.000 . 5.500 2.925 2.782 3.650 . 0 0 "[ . 1 .]" 2
288 1 20 HIS QB 1 30 LEU MD1 4.000 . 5.500 3.863 2.159 4.454 . 0 0 "[ . 1 .]" 2
289 1 23 TRP QB 1 24 HIS H 4.000 . 5.500 3.353 3.123 3.527 . 0 0 "[ . 1 .]" 2
290 1 23 TRP QB 1 30 LEU HG 4.000 . 5.500 3.419 2.954 4.002 . 0 0 "[ . 1 .]" 2
291 1 30 LEU MD1 1 33 VAL HB 4.000 . 6.000 3.223 1.941 4.116 . 0 0 "[ . 1 .]" 2
292 1 48 MET QB 1 49 GLN HA 4.000 . 5.500 4.209 3.773 4.563 . 0 0 "[ . 1 .]" 2
293 1 53 SER QB 1 55 GLY H 4.000 . 5.500 4.987 4.675 5.497 . 0 0 "[ . 1 .]" 2
294 1 53 SER QB 1 54 GLY H 4.000 . 5.500 3.100 2.392 3.932 . 0 0 "[ . 1 .]" 2
295 1 56 LYS QB 1 57 LEU H 4.000 . 5.500 3.135 2.264 3.618 . 0 0 "[ . 1 .]" 2
296 1 67 VAL HB 1 68 LEU H . . 2.900 2.582 2.323 2.717 . 0 0 "[ . 1 .]" 2
297 1 81 THR HB 1 82 VAL H 4.000 . 5.500 2.253 2.176 2.529 . 0 0 "[ . 1 .]" 2
298 1 82 VAL HB 1 83 HIS HA 4.000 . 5.000 4.069 3.702 4.156 . 0 0 "[ . 1 .]" 2
299 1 85 ILE HB 1 86 GLU H 4.000 . 5.500 4.249 4.079 4.334 . 0 0 "[ . 1 .]" 2
300 1 89 ILE HB 1 90 LYS H 4.000 . 5.500 3.103 2.863 3.391 . 0 0 "[ . 1 .]" 2
301 1 89 ILE MD 1 92 ILE HB 4.000 . 6.000 4.730 4.672 4.842 . 0 0 "[ . 1 .]" 2
302 1 97 GLU QB 1 98 GLU H 4.000 . 5.500 3.201 3.112 3.294 . 0 0 "[ . 1 .]" 2
303 1 45 HIS HA 1 48 MET QG 4.000 . 5.500 3.000 1.991 4.375 . 0 0 "[ . 1 .]" 2
304 1 11 ASP HA 1 13 GLN QB 4.000 . 5.500 5.376 5.233 5.495 . 0 0 "[ . 1 .]" 2
305 1 9 LEU MD1 1 13 GLN QB 4.000 . 6.000 5.751 5.461 6.008 0.008 6 0 "[ . 1 .]" 2
306 1 14 GLU QB 1 15 VAL MG2 4.000 . 6.000 4.765 4.642 5.317 . 0 0 "[ . 1 .]" 2
307 1 16 LEU QB 1 17 LYS HA 4.000 . 5.500 3.886 3.814 3.935 . 0 0 "[ . 1 .]" 2
308 1 19 LEU QB 1 20 HIS HD2 4.000 . 5.500 4.400 3.370 5.531 0.031 14 0 "[ . 1 .]" 2
309 1 19 LEU QB 1 85 ILE MD 4.000 . 6.000 1.782 1.750 1.793 0.050 6 0 "[ . 1 .]" 2
310 1 21 LYS QB 1 23 TRP H 4.000 . 5.500 5.041 4.795 5.306 . 0 0 "[ . 1 .]" 2
311 1 21 LYS QB 1 22 ASN QD 4.000 . 5.500 3.151 2.030 4.756 . 0 0 "[ . 1 .]" 2
312 1 20 HIS QB 1 21 LYS QB 4.000 . 5.500 4.370 4.260 4.758 . 0 0 "[ . 1 .]" 2
313 1 22 ASN QB 1 76 GLN H 4.000 . 5.500 4.232 3.933 4.744 . 0 0 "[ . 1 .]" 2
314 1 22 ASN QB 1 75 LEU MD1 4.000 . 5.500 2.314 1.852 2.818 . 0 0 "[ . 1 .]" 2
315 1 22 ASN QB 1 75 LEU MD2 4.000 . 5.500 4.208 3.464 4.793 . 0 0 "[ . 1 .]" 2
316 1 24 HIS QB 1 74 HIS HA 4.000 . 5.500 4.394 4.307 4.578 . 0 0 "[ . 1 .]" 2
317 1 27 LYS QB 1 28 ASP HA 4.000 . 5.500 4.324 4.127 4.523 . 0 0 "[ . 1 .]" 2
318 1 19 LEU MD1 1 33 VAL HB 4.000 . 6.000 5.122 4.642 5.597 . 0 0 "[ . 1 .]" 2
319 1 34 ASP QB 1 85 ILE MD 4.000 . 5.500 5.559 5.523 5.579 0.079 5 0 "[ . 1 .]" 2
320 1 36 HIS QB 1 67 VAL HB 4.000 . 5.500 4.934 4.773 5.181 . 0 0 "[ . 1 .]" 2
321 1 37 LEU MD2 1 40 VAL HB 4.000 . 5.500 4.559 4.368 5.156 . 0 0 "[ . 1 .]" 2
322 1 43 ASP QB 1 56 LYS QD 4.000 . 5.500 3.407 2.423 4.501 . 0 0 "[ . 1 .]" 2
323 1 40 VAL MG1 1 43 ASP QB 4.000 . 5.500 3.079 2.646 3.627 . 0 0 "[ . 1 .]" 2
324 1 40 VAL HB 1 43 ASP QB 4.000 . 5.500 4.946 4.620 5.514 0.014 3 0 "[ . 1 .]" 2
325 1 43 ASP QB 1 44 ILE HA 4.000 . 5.500 4.019 3.938 4.633 . 0 0 "[ . 1 .]" 2
326 1 44 ILE HB 1 56 LYS QD 4.000 . 5.500 5.222 4.502 5.561 0.061 15 0 "[ . 1 .]" 2
327 1 44 ILE MG 1 45 HIS QB 4.000 . 5.500 4.700 4.147 5.508 0.008 11 0 "[ . 1 .]" 2
328 1 56 LYS QB 1 57 LEU MD1 4.000 . 5.500 4.971 4.029 5.509 0.009 3 0 "[ . 1 .]" 2
329 1 40 VAL MG2 1 63 GLU QB 4.000 . 4.500 1.836 1.793 1.893 0.007 1 0 "[ . 1 .]" 2
330 1 40 VAL MG1 1 63 GLU QB 4.000 . 5.500 2.830 2.612 3.062 . 0 0 "[ . 1 .]" 2
331 1 40 VAL HB 1 41 ILE HA 4.000 . 5.500 4.169 3.970 4.375 . 0 0 "[ . 1 .]" 2
332 1 64 PHE QD 1 67 VAL HB 4.000 . 6.000 5.010 4.872 5.269 . 0 0 "[ . 1 .]" 2
333 1 68 LEU QB 1 69 ASP HA 4.000 . 5.500 4.063 4.012 4.102 . 0 0 "[ . 1 .]" 2
334 1 16 LEU MD1 1 68 LEU QB 4.000 . 5.500 4.435 4.350 4.586 . 0 0 "[ . 1 .]" 2
335 1 22 ASN HA 1 76 GLN QB 4.000 . 5.500 3.573 2.747 4.150 . 0 0 "[ . 1 .]" 2
336 1 93 PHE QB 1 96 LEU MD2 4.000 . 5.500 5.529 5.490 5.570 0.070 13 0 "[ . 1 .]" 2
337 1 57 LEU MD2 1 97 GLU QB 4.000 . 5.500 3.799 2.502 5.511 0.011 10 0 "[ . 1 .]" 2
338 1 57 LEU MD2 1 100 VAL HB 3.000 . 4.500 3.512 2.902 4.342 . 0 0 "[ . 1 .]" 2
339 1 44 ILE MG 1 48 MET QG 4.000 . 5.500 4.022 2.641 5.184 . 0 0 "[ . 1 .]" 2
340 1 40 VAL MG2 1 63 GLU QG 4.000 . 4.500 2.084 1.843 2.825 . 0 0 "[ . 1 .]" 2
341 1 57 LEU MD2 1 97 GLU QG 4.000 . 4.500 2.892 1.890 4.406 . 0 0 "[ . 1 .]" 2
342 1 97 GLU QG 1 100 VAL MG2 4.000 . 5.500 4.801 4.383 5.168 . 0 0 "[ . 1 .]" 2
343 1 33 VAL MG2 1 70 GLU QG 4.000 . 5.500 2.401 2.016 2.787 . 0 0 "[ . 1 .]" 2
344 1 40 VAL MG2 1 60 MET QG 4.000 . 5.500 2.509 1.949 3.086 . 0 0 "[ . 1 .]" 2
345 1 100 VAL MG2 1 101 HIS H 4.000 . 6.000 3.795 3.691 3.868 . 0 0 "[ . 1 .]" 2
346 1 99 LEU QB 1 100 VAL MG1 4.000 . 6.000 5.013 4.729 5.122 . 0 0 "[ . 1 .]" 2
347 1 67 VAL MG1 1 68 LEU H 4.000 . 5.500 3.280 2.820 3.521 . 0 0 "[ . 1 .]" 2
348 1 64 PHE QD 1 67 VAL MG1 4.000 . 6.000 5.786 5.522 5.998 . 0 0 "[ . 1 .]" 2
349 1 66 GLN QB 1 67 VAL MG1 4.000 . 6.000 5.350 5.185 5.445 . 0 0 "[ . 1 .]" 2
350 1 40 VAL MG1 1 64 PHE H 4.000 . 6.000 3.412 3.094 3.672 . 0 0 "[ . 1 .]" 2
351 1 40 VAL MG1 1 64 PHE QD 4.000 . 6.000 2.937 2.366 3.448 . 0 0 "[ . 1 .]" 2
352 1 40 VAL MG1 1 64 PHE QE 4.000 . 6.000 4.752 4.207 5.246 . 0 0 "[ . 1 .]" 2
353 1 40 VAL MG1 1 60 MET QG 4.000 . 5.500 1.831 1.787 2.084 0.013 9 0 "[ . 1 .]" 2
354 1 40 VAL MG1 1 60 MET QB 4.000 . 5.500 3.298 3.025 3.590 . 0 0 "[ . 1 .]" 2
355 1 33 VAL MG1 1 36 HIS QB 4.000 . 5.500 4.192 3.712 4.787 . 0 0 "[ . 1 .]" 2
356 1 18 ASN QB 1 82 VAL MG1 4.000 . 6.000 6.042 6.022 6.082 0.082 15 0 "[ . 1 .]" 2
357 1 82 VAL MG1 1 86 GLU QG 3.000 . 4.500 2.184 1.946 2.705 . 0 0 "[ . 1 .]" 2
358 1 15 VAL MG1 1 85 ILE MD 3.000 . 4.500 2.713 2.537 3.008 . 0 0 "[ . 1 .]" 2
359 1 12 LEU MD2 1 64 PHE QE 4.000 . 6.000 5.441 3.607 6.023 0.023 6 0 "[ . 1 .]" 2
360 1 11 ASP QB 1 12 LEU MD2 4.000 . 6.000 5.051 4.665 5.477 . 0 0 "[ . 1 .]" 2
361 1 40 VAL MG2 1 64 PHE QD 4.000 . 6.000 4.214 3.529 4.900 . 0 0 "[ . 1 .]" 2
362 1 40 VAL MG2 1 64 PHE H 4.000 . 5.500 3.220 2.542 3.756 . 0 0 "[ . 1 .]" 2
363 1 39 ASN HA 1 40 VAL MG2 4.000 . 5.500 4.916 4.833 5.040 . 0 0 "[ . 1 .]" 2
364 1 36 HIS HA 1 40 VAL MG2 4.000 . 5.500 3.888 3.554 4.113 . 0 0 "[ . 1 .]" 2
365 1 39 ASN QB 1 40 VAL MG2 4.000 . 5.500 3.281 3.087 3.426 . 0 0 "[ . 1 .]" 2
366 1 15 VAL MG2 1 85 ILE MD 4.000 . 5.500 3.811 3.638 4.176 . 0 0 "[ . 1 .]" 2
367 1 95 HIS HA 1 99 LEU MD1 4.000 . 5.500 5.412 4.583 5.533 0.033 5 0 "[ . 1 .]" 2
368 1 8 LEU MD1 1 96 LEU MD2 3.000 . 4.500 3.410 2.794 4.435 . 0 0 "[ . 1 .]" 2
369 1 57 LEU MD1 1 97 GLU HA 4.000 . 5.500 4.268 3.977 4.880 . 0 0 "[ . 1 .]" 2
370 1 67 VAL MG2 1 68 LEU H 4.000 . 5.500 3.891 3.804 4.042 . 0 0 "[ . 1 .]" 2
371 1 37 LEU H 1 67 VAL MG2 4.000 . 4.000 2.202 1.935 2.405 . 0 0 "[ . 1 .]" 2
372 1 27 LYS QD 1 30 LEU MD1 4.000 . 5.500 4.552 3.705 5.503 0.003 4 0 "[ . 1 .]" 2
373 1 75 LEU MD1 1 76 GLN H 4.000 . 6.000 3.269 3.027 3.384 . 0 0 "[ . 1 .]" 2
374 1 23 TRP HA 1 75 LEU MD1 4.000 . 5.500 3.409 3.250 3.663 . 0 0 "[ . 1 .]" 2
375 1 30 LEU MD1 1 71 LEU MD1 3.000 . 4.500 4.501 3.868 4.635 0.135 15 0 "[ . 1 .]" 2
376 1 64 PHE HZ 1 96 LEU MD1 4.000 . 6.000 3.371 2.572 4.005 . 0 0 "[ . 1 .]" 2
377 1 64 PHE QE 1 96 LEU MD1 4.000 . 6.000 2.717 1.976 3.261 . 0 0 "[ . 1 .]" 2
378 1 64 PHE QE 1 68 LEU MD1 4.000 . 6.000 4.466 4.134 4.660 . 0 0 "[ . 1 .]" 2
379 1 64 PHE QD 1 68 LEU MD1 4.000 . 6.000 3.592 3.415 3.689 . 0 0 "[ . 1 .]" 2
380 1 19 LEU MD1 1 89 ILE MG 4.000 . 5.500 5.363 5.182 5.518 0.018 6 0 "[ . 1 .]" 2
381 1 36 HIS QB 1 37 LEU MD2 3.000 . 4.500 4.513 4.506 4.525 0.025 4 0 "[ . 1 .]" 2
382 1 15 VAL HB 1 16 LEU MD1 4.000 . 5.500 5.443 4.822 5.538 0.038 1 0 "[ . 1 .]" 2
383 1 19 LEU MD2 1 23 TRP HE1 4.000 . 5.500 5.508 5.168 5.567 0.067 10 0 "[ . 1 .]" 2
384 1 19 LEU MD2 1 23 TRP HA 4.000 . 5.500 5.518 5.380 5.592 0.092 8 0 "[ . 1 .]" 2
385 1 19 LEU MD2 1 23 TRP QB 3.000 . 3.400 3.332 3.188 3.406 0.006 10 0 "[ . 1 .]" 2
386 1 8 LEU MD1 1 9 LEU HA 3.000 . 4.500 2.748 2.532 3.338 . 0 0 "[ . 1 .]" 2
387 1 85 ILE QG 1 88 ASN QB 4.000 . 6.000 4.459 3.678 4.739 . 0 0 "[ . 1 .]" 2
388 1 89 ILE HA 1 92 ILE QG 4.000 . 5.500 2.941 2.654 3.355 . 0 0 "[ . 1 .]" 2
389 1 9 LEU QB 1 41 ILE QG 4.000 . 5.500 3.398 2.072 4.486 . 0 0 "[ . 1 .]" 2
390 1 9 LEU QB 1 41 ILE MD 4.000 . 5.500 2.353 1.817 3.623 . 0 0 "[ . 1 .]" 2
391 1 9 LEU HG 1 41 ILE MD 4.000 . 5.500 4.286 3.711 5.246 . 0 0 "[ . 1 .]" 2
392 1 12 LEU QB 1 41 ILE MD 4.000 . 5.500 3.908 3.329 4.302 . 0 0 "[ . 1 .]" 2
393 1 13 GLN QG 1 41 ILE MD 4.000 . 5.500 3.556 2.339 4.199 . 0 0 "[ . 1 .]" 2
394 1 92 ILE MD 1 93 PHE QD 4.000 . 5.500 5.572 5.551 5.617 0.117 5 0 "[ . 1 .]" 2
395 1 88 ASN QB 1 92 ILE MD 4.000 . 5.500 2.766 2.400 3.450 . 0 0 "[ . 1 .]" 2
396 1 85 ILE MD 1 88 ASN QB 4.000 . 5.500 5.188 5.011 5.515 0.015 7 0 "[ . 1 .]" 2
397 1 68 LEU MD1 1 85 ILE MD 4.000 . 5.500 1.835 1.799 1.872 0.001 10 0 "[ . 1 .]" 2
398 1 13 GLN QG 1 41 ILE MG 4.000 . 5.500 3.795 2.874 4.725 . 0 0 "[ . 1 .]" 2
399 1 9 LEU QB 1 41 ILE MG 4.000 . 5.500 4.048 2.531 5.409 . 0 0 "[ . 1 .]" 2
400 1 9 LEU QB 1 44 ILE MG 4.000 . 5.500 4.204 3.894 4.624 . 0 0 "[ . 1 .]" 2
401 1 44 ILE MG 1 48 MET QB 4.000 . 5.500 3.365 2.926 4.161 . 0 0 "[ . 1 .]" 2
402 1 44 ILE MG 1 64 PHE QB 4.000 . 5.500 5.502 5.332 5.534 0.034 10 0 "[ . 1 .]" 2
403 1 89 ILE MG 1 90 LYS HA 4.000 . 5.500 2.799 2.746 2.855 . 0 0 "[ . 1 .]" 2
404 1 89 ILE MG 1 90 LYS QB 4.000 . 5.500 3.513 2.968 3.871 . 0 0 "[ . 1 .]" 2
405 1 92 ILE MG 1 93 PHE QD 4.000 . 5.500 4.495 3.874 4.835 . 0 0 "[ . 1 .]" 2
406 1 89 ILE QG 1 92 ILE MG 4.000 . 5.500 3.206 2.936 3.385 . 0 0 "[ . 1 .]" 2
407 1 68 LEU HA 1 85 ILE MG 4.000 . 6.000 5.831 4.166 6.093 0.093 11 0 "[ . 1 .]" 2
408 1 82 VAL MG1 1 85 ILE MG 2.500 . 3.900 3.192 2.465 3.334 . 0 0 "[ . 1 .]" 2
409 1 68 LEU MD1 1 85 ILE MG 3.000 . 4.500 4.404 3.413 4.577 0.077 10 0 "[ . 1 .]" 2
410 1 30 LEU MD2 1 33 VAL MG2 4.000 . 6.000 3.033 2.476 3.438 . 0 0 "[ . 1 .]" 2
411 1 30 LEU MD1 1 33 VAL MG2 4.000 . 6.000 3.973 3.353 4.186 . 0 0 "[ . 1 .]" 2
412 1 68 LEU HA 1 71 LEU HG 4.000 . 4.500 4.221 4.126 4.576 0.076 6 0 "[ . 1 .]" 2
413 1 75 LEU HG 1 76 GLN H 4.000 . 5.500 5.521 5.367 5.583 0.083 9 0 "[ . 1 .]" 2
414 1 12 LEU MD1 1 16 LEU HG 4.000 . 5.500 4.852 4.664 5.504 0.004 5 0 "[ . 1 .]" 2
415 1 37 LEU HG 1 67 VAL MG2 4.000 . 5.500 3.906 3.734 4.188 . 0 0 "[ . 1 .]" 2
416 1 8 LEU HG 1 9 LEU H 4.000 . 6.000 5.066 4.981 5.131 . 0 0 "[ . 1 .]" 2
417 1 8 LEU HG 1 9 LEU HA 4.000 . 5.500 5.518 5.437 5.551 0.051 3 0 "[ . 1 .]" 2
418 1 19 LEU HG 1 68 LEU HA 4.000 . 5.500 5.113 4.856 5.354 . 0 0 "[ . 1 .]" 2
419 1 57 LEU HG 1 58 GLN H 4.000 . 6.000 4.889 4.253 5.746 . 0 0 "[ . 1 .]" 2
420 1 2 TYR QD 1 5 LEU HG 4.000 . 6.000 5.975 5.607 6.052 0.052 13 0 "[ . 1 .]" 2
421 1 82 VAL MG1 1 89 ILE MD 4.000 . 6.000 5.054 4.723 5.572 . 0 0 "[ . 1 .]" 2
422 1 89 ILE MD 1 92 ILE H 4.000 . 6.000 5.898 5.825 5.941 . 0 0 "[ . 1 .]" 2
423 1 23 TRP HE3 1 30 LEU MD2 4.000 . 6.000 4.040 3.374 4.508 . 0 0 "[ . 1 .]" 2
424 1 23 TRP HD1 1 30 LEU MD1 4.000 . 6.000 4.134 4.040 4.393 . 0 0 "[ . 1 .]" 2
425 1 37 LEU MD2 1 89 ILE MG 3.000 . 4.500 3.933 3.772 4.594 0.094 4 0 "[ . 1 .]" 2
426 1 19 LEU HA 1 75 LEU MD1 4.000 . 6.000 4.729 4.593 5.105 . 0 0 "[ . 1 .]" 2
427 1 2 TYR QB 1 100 VAL MG2 3.000 . 4.500 4.507 4.365 4.562 0.062 14 0 "[ . 1 .]" 2
428 1 23 TRP HE3 1 71 LEU MD1 4.000 . 6.000 4.069 3.564 4.144 . 0 0 "[ . 1 .]" 2
429 1 66 GLN QE 1 67 VAL MG2 4.000 . 6.000 5.170 3.563 6.003 0.003 1 0 "[ . 1 .]" 2
430 1 23 TRP HE3 1 75 LEU MD1 4.000 . 6.000 6.005 5.720 6.073 0.073 6 0 "[ . 1 .]" 2
431 1 12 LEU MD1 1 64 PHE QD 4.000 . 6.000 2.814 1.934 4.341 . 0 0 "[ . 1 .]" 2
432 1 12 LEU MD1 1 64 PHE HZ 4.000 . 6.000 4.982 4.091 6.063 0.063 5 0 "[ . 1 .]" 2
433 1 75 LEU MD2 1 82 VAL HA 4.000 . 5.500 4.372 4.151 4.804 . 0 0 "[ . 1 .]" 2
434 1 5 LEU HG 1 96 LEU MD1 4.000 . 5.500 5.500 5.286 5.539 0.039 2 0 "[ . 1 .]" 2
435 1 9 LEU MD1 1 41 ILE HA 4.000 . 6.000 3.084 2.335 3.643 . 0 0 "[ . 1 .]" 2
436 1 9 LEU MD1 1 45 HIS QB 4.000 . 6.000 3.668 2.302 4.612 . 0 0 "[ . 1 .]" 2
437 1 9 LEU MD1 1 45 HIS HD2 4.000 . 6.500 3.868 1.932 5.711 . 0 0 "[ . 1 .]" 2
438 1 2 TYR HA 1 99 LEU MD2 3.000 . 4.500 3.653 2.483 4.512 0.012 5 0 "[ . 1 .]" 2
439 1 2 TYR QB 1 99 LEU MD2 3.000 . 4.500 2.248 1.848 2.838 . 0 0 "[ . 1 .]" 2
440 1 64 PHE QD 1 89 ILE MD 4.000 . 6.000 3.596 3.045 3.900 . 0 0 "[ . 1 .]" 2
441 1 89 ILE MD 1 90 LYS H 4.000 . 6.000 4.719 4.515 4.953 . 0 0 "[ . 1 .]" 2
442 1 44 ILE MD 1 64 PHE QD 3.000 . 4.500 3.336 2.621 3.966 . 0 0 "[ . 1 .]" 2
443 1 44 ILE MD 1 96 LEU QB 4.000 . 5.500 4.359 3.597 5.112 . 0 0 "[ . 1 .]" 2
444 1 44 ILE MD 1 57 LEU QB 4.000 . 6.000 4.406 3.099 5.995 . 0 0 "[ . 1 .]" 2
445 1 41 ILE MG 1 45 HIS HD2 4.000 . 6.000 4.207 2.952 4.807 . 0 0 "[ . 1 .]" 2
446 1 64 PHE QD 1 89 ILE MG 4.000 . 6.000 2.652 2.411 3.003 . 0 0 "[ . 1 .]" 2
447 1 40 VAL HA 1 60 MET QG 4.000 . 5.500 3.132 2.452 3.969 . 0 0 "[ . 1 .]" 2
448 1 43 ASP QB 1 60 MET QG 4.000 . 5.500 2.682 2.264 3.433 . 0 0 "[ . 1 .]" 2
449 1 56 LYS QD 1 60 MET QG 3.000 . 4.500 3.177 1.963 4.531 0.031 15 0 "[ . 1 .]" 2
450 1 61 MET QG 1 64 PHE QE 4.000 . 5.500 2.330 1.887 3.963 . 0 0 "[ . 1 .]" 2
451 1 61 MET QG 1 64 PHE HZ 4.000 . 5.500 3.053 2.328 5.011 . 0 0 "[ . 1 .]" 2
452 1 4 LYS HA 1 6 ASN HA 4.000 . 5.500 5.677 5.653 5.703 0.203 6 0 "[ . 1 .]" 2
453 1 5 LEU MD1 1 8 LEU HA 4.000 . 6.000 4.665 4.288 4.996 . 0 0 "[ . 1 .]" 2
454 1 8 LEU HA 1 9 LEU QB 4.000 . 5.500 5.238 5.164 5.319 . 0 0 "[ . 1 .]" 2
455 1 61 MET HA 1 96 LEU QB 4.000 . 5.500 5.336 4.949 5.518 0.018 2 0 "[ . 1 .]" 2
456 1 57 LEU QB 1 61 MET HA 4.000 . 5.500 5.546 5.437 5.581 0.081 1 0 "[ . 1 .]" 2
457 1 68 LEU HA 1 82 VAL MG2 4.000 . 5.500 4.813 4.624 5.505 0.005 6 0 "[ . 1 .]" 2
458 1 69 ASP HA 1 71 LEU QB 4.000 . 5.500 4.654 4.399 4.805 . 0 0 "[ . 1 .]" 2
459 1 4 LYS QE 1 7 ASP HA 4.000 . 5.500 4.460 3.912 5.503 0.003 6 0 "[ . 1 .]" 2
460 1 12 LEU QB 1 13 GLN HA 4.000 . 5.500 4.611 4.554 4.731 . 0 0 "[ . 1 .]" 2
461 1 15 VAL HA 1 16 LEU QB 4.000 . 5.500 5.276 5.235 5.357 . 0 0 "[ . 1 .]" 2
462 1 19 LEU HG 1 20 HIS HA 3.000 . 4.000 3.345 2.985 3.684 . 0 0 "[ . 1 .]" 2
463 1 20 HIS HA 1 27 LYS QB 4.000 . 4.500 4.479 4.002 4.539 0.039 4 0 "[ . 1 .]" 2
464 1 26 GLY QA 1 29 ASN QD 4.000 . 6.000 4.940 1.932 6.011 0.011 2 0 "[ . 1 .]" 2
465 1 33 VAL HA 1 36 HIS HD2 4.000 . 5.000 4.351 3.444 5.008 0.008 4 0 "[ . 1 .]" 2
466 1 33 VAL HA 1 67 VAL HA 3.000 . 4.000 4.029 4.015 4.064 0.064 12 0 "[ . 1 .]" 2
467 1 19 LEU MD1 1 34 ASP HA 4.000 . 5.500 4.601 4.120 4.988 . 0 0 "[ . 1 .]" 2
468 1 13 GLN HA 1 68 LEU MD1 4.000 . 6.000 6.115 6.088 6.197 0.197 6 0 "[ . 1 .]" 2
469 1 38 GLN QB 1 39 ASN HA 4.000 . 5.500 3.976 3.742 4.385 . 0 0 "[ . 1 .]" 2
470 1 39 ASN HA 1 42 GLU QG 3.000 . 3.800 2.753 2.061 3.807 0.007 3 0 "[ . 1 .]" 2
471 1 42 GLU QB 1 43 ASP HA 4.000 . 5.500 4.379 3.866 4.641 . 0 0 "[ . 1 .]" 2
472 1 44 ILE HA 1 45 HIS HD2 4.000 . 5.500 5.171 4.261 5.570 0.070 7 0 "[ . 1 .]" 2
473 1 44 ILE HA 1 56 LYS QD 3.000 . 4.500 2.928 1.947 3.784 . 0 0 "[ . 1 .]" 2
474 1 44 ILE HB 1 45 HIS HA 4.000 . 5.000 4.049 3.784 4.263 . 0 0 "[ . 1 .]" 2
475 1 45 HIS H 1 46 ASP HA 4.000 . 5.500 5.231 5.128 5.316 . 0 0 "[ . 1 .]" 2
476 1 46 ASP HA 1 51 GLY H 4.000 . 5.500 5.480 5.291 5.558 0.058 14 0 "[ . 1 .]" 2
477 1 46 ASP HA 1 49 GLN QG 4.000 . 5.500 4.779 3.866 5.508 0.008 3 0 "[ . 1 .]" 2
478 1 54 GLY HA2 1 100 VAL MG1 3.000 . 4.500 1.959 1.819 2.250 . 0 0 "[ . 1 .]" 2
479 1 54 GLY HA3 1 100 VAL MG1 4.000 . 5.500 2.955 2.469 3.376 . 0 0 "[ . 1 .]" 2
480 1 65 GLN HA 1 89 ILE HB 4.000 . 5.500 5.395 5.246 5.518 0.018 3 0 "[ . 1 .]" 2
481 1 65 GLN HA 1 90 LYS QD 4.000 . 5.500 4.925 4.281 5.506 0.006 13 0 "[ . 1 .]" 2
482 1 65 GLN HA 1 66 GLN HA 4.000 . 5.000 4.849 4.817 4.872 . 0 0 "[ . 1 .]" 2
483 1 67 VAL HA 1 71 LEU QB 4.000 . 5.500 5.011 4.903 5.581 0.081 8 0 "[ . 1 .]" 2
484 1 70 GLU HA 1 74 HIS HD2 4.000 . 5.500 3.675 2.816 5.327 . 0 0 "[ . 1 .]" 2
485 1 57 LEU HA 1 64 PHE QE 4.000 . 5.500 5.277 4.993 5.506 0.006 10 0 "[ . 1 .]" 2
486 1 75 LEU MD1 1 76 GLN HA 4.000 . 6.000 4.915 4.673 5.168 . 0 0 "[ . 1 .]" 2
487 1 75 LEU HA 1 76 GLN HA 4.000 . 5.000 4.479 4.467 4.497 . 0 0 "[ . 1 .]" 2
488 1 74 HIS HA 1 76 GLN HA 4.000 . 5.000 5.120 5.082 5.153 0.153 9 0 "[ . 1 .]" 2
489 1 83 HIS HA 1 86 GLU QG 3.000 . 3.800 1.916 1.896 1.941 . 0 0 "[ . 1 .]" 2
490 1 81 THR HA 1 85 ILE MG 4.000 . 6.000 3.686 3.560 3.865 . 0 0 "[ . 1 .]" 2
491 1 81 THR HA 1 85 ILE QG 4.000 . 6.000 6.073 6.042 6.212 0.212 15 0 "[ . 1 .]" 2
492 1 82 VAL HA 1 84 HIS QB 4.000 . 5.500 4.878 4.802 5.050 . 0 0 "[ . 1 .]" 2
493 1 82 VAL HA 1 86 GLU HA 4.000 . 5.500 5.448 5.121 5.540 0.040 13 0 "[ . 1 .]" 2
494 1 82 VAL HA 1 85 ILE HA 4.000 . 5.500 4.783 4.691 5.225 . 0 0 "[ . 1 .]" 2
495 1 81 THR MG 1 82 VAL HA 4.000 . 6.000 2.986 2.938 3.094 . 0 0 "[ . 1 .]" 2
496 1 84 HIS HA 1 87 GLN QG 4.000 . 4.500 4.283 3.780 4.525 0.025 11 0 "[ . 1 .]" 2
497 1 68 LEU MD2 1 85 ILE HA 4.000 . 6.000 4.319 3.747 4.457 . 0 0 "[ . 1 .]" 2
498 1 64 PHE HZ 1 90 LYS HA 4.000 . 5.000 4.460 3.941 4.795 . 0 0 "[ . 1 .]" 2
499 1 89 ILE QG 1 90 LYS HA 4.000 . 5.000 5.122 5.074 5.176 0.176 5 0 "[ . 1 .]" 2
500 1 90 LYS HA 1 91 GLU HA 4.000 . 5.000 4.640 4.620 4.675 . 0 0 "[ . 1 .]" 2
501 1 86 GLU HA 1 90 LYS HA 4.000 . 5.000 5.072 5.049 5.119 0.119 13 0 "[ . 1 .]" 2
502 1 64 PHE HZ 1 93 PHE HA 2.500 . 3.500 3.039 2.460 3.509 0.009 9 0 "[ . 1 .]" 2
503 1 94 HIS HA 1 95 HIS QB 4.000 . 5.500 5.382 5.238 5.520 0.020 14 0 "[ . 1 .]" 2
504 1 94 HIS HA 1 98 GLU QG 4.000 . 5.500 4.483 3.039 5.517 0.017 9 0 "[ . 1 .]" 2
505 1 8 LEU QB 1 9 LEU HA 4.000 . 5.500 4.223 3.896 4.384 . 0 0 "[ . 1 .]" 2
506 1 6 ASN QB 1 44 ILE HB 4.000 . 5.500 5.512 5.506 5.524 0.024 6 0 "[ . 1 .]" 2
507 1 11 ASP QB 1 12 LEU QB 4.000 . 5.500 3.877 3.736 3.977 . 0 0 "[ . 1 .]" 2
508 1 12 LEU HA 1 13 GLN QB 4.000 . 5.500 5.216 5.207 5.224 . 0 0 "[ . 1 .]" 2
509 1 24 HIS QB 1 75 LEU HA 4.000 . 5.500 5.483 5.371 5.513 0.013 15 0 "[ . 1 .]" 2
510 1 33 VAL HB 1 36 HIS QB 4.000 . 5.500 5.552 5.522 5.604 0.104 8 0 "[ . 1 .]" 2
511 1 32 ASP HA 1 33 VAL HB 4.000 . 5.500 5.541 5.524 5.567 0.067 12 0 "[ . 1 .]" 2
512 1 85 ILE MG 1 88 ASN QB 3.000 . 4.500 4.524 4.506 4.572 0.072 6 0 "[ . 1 .]" 2
513 1 32 ASP QB 1 35 ASN QB 4.000 . 6.000 4.313 3.983 4.512 . 0 0 "[ . 1 .]" 2
514 1 37 LEU MD1 1 38 GLN QB 4.000 . 6.000 4.343 4.202 4.509 . 0 0 "[ . 1 .]" 2
515 1 16 LEU HG 1 37 LEU QB 3.000 . 4.500 3.067 2.724 4.314 . 0 0 "[ . 1 .]" 2
516 1 16 LEU QB 1 37 LEU QB 4.000 . 5.500 4.280 3.850 5.597 0.097 4 0 "[ . 1 .]" 2
517 1 9 LEU QB 1 41 ILE HB 4.000 . 5.500 5.151 4.572 5.533 0.033 15 0 "[ . 1 .]" 2
518 1 41 ILE MG 1 42 GLU QB 4.000 . 6.000 3.611 2.745 4.820 . 0 0 "[ . 1 .]" 2
519 1 39 ASN QB 1 43 ASP QB 4.000 . 6.000 5.166 4.588 5.789 . 0 0 "[ . 1 .]" 2
520 1 43 ASP QB 1 60 MET QB 4.000 . 5.500 3.743 3.285 4.608 . 0 0 "[ . 1 .]" 2
521 1 43 ASP QB 1 56 LYS QB 4.000 . 5.500 4.033 3.176 4.829 . 0 0 "[ . 1 .]" 2
522 1 42 GLU HA 1 43 ASP QB 4.000 . 5.500 5.306 5.232 5.422 . 0 0 "[ . 1 .]" 2
523 1 9 LEU QB 1 44 ILE HB 4.000 . 5.500 4.413 4.130 4.731 . 0 0 "[ . 1 .]" 2
524 1 59 GLU QG 1 62 LYS QB 4.000 . 5.500 4.962 4.026 5.415 . 0 0 "[ . 1 .]" 2
525 1 56 LYS QE 1 57 LEU QB 4.000 . 5.500 3.683 1.800 5.283 . 0 0 "[ . 1 .]" 2
526 1 58 GLN QB 1 60 MET H 4.000 . 5.500 4.930 4.818 4.995 . 0 0 "[ . 1 .]" 2
527 1 56 LYS QD 1 60 MET QB 4.000 . 5.500 2.659 1.766 3.985 0.034 10 0 "[ . 1 .]" 2
528 1 60 MET QB 1 61 MET QB 4.000 . 5.500 4.237 4.170 4.352 . 0 0 "[ . 1 .]" 2
529 1 56 LYS QB 1 60 MET QB 4.000 . 5.500 3.129 2.683 3.796 . 0 0 "[ . 1 .]" 2
530 1 36 HIS HA 1 63 GLU QB 4.000 . 5.500 5.486 5.185 5.542 0.042 10 0 "[ . 1 .]" 2
531 1 36 HIS QB 1 63 GLU QB 4.000 . 5.500 4.331 4.032 4.575 . 0 0 "[ . 1 .]" 2
532 1 37 LEU MD1 1 63 GLU QB 4.000 . 6.000 5.086 4.696 5.634 . 0 0 "[ . 1 .]" 2
533 1 9 LEU QB 1 41 ILE HA 4.000 . 5.500 4.157 3.610 4.615 . 0 0 "[ . 1 .]" 2
534 1 62 LYS QD 1 66 GLN QB 4.000 . 5.500 4.434 3.089 5.503 0.003 7 0 "[ . 1 .]" 2
535 1 65 GLN QE 1 68 LEU QB 4.000 . 6.000 4.900 2.579 5.734 . 0 0 "[ . 1 .]" 2
536 1 74 HIS QB 1 75 LEU HA 4.000 . 5.500 4.438 4.325 4.473 . 0 0 "[ . 1 .]" 2
537 1 75 LEU QB 1 79 LYS QD 4.000 . 5.500 4.778 3.621 5.534 0.034 15 0 "[ . 1 .]" 2
538 1 75 LEU HA 1 76 GLN QB 4.000 . 5.500 4.205 4.119 4.530 . 0 0 "[ . 1 .]" 2
539 1 82 VAL MG2 1 85 ILE HB 4.000 . 6.000 5.296 5.171 5.675 . 0 0 "[ . 1 .]" 2
540 1 16 LEU QB 1 85 ILE HB 4.000 . 5.500 5.473 5.265 5.690 0.190 6 0 "[ . 1 .]" 2
541 1 82 VAL HB 1 86 GLU QB 4.000 . 5.500 4.527 3.886 4.718 . 0 0 "[ . 1 .]" 2
542 1 82 VAL MG1 1 86 GLU QB 4.000 . 5.500 2.332 2.113 2.485 . 0 0 "[ . 1 .]" 2
543 1 89 ILE HB 1 91 GLU H 4.000 . 5.500 5.065 4.936 5.234 . 0 0 "[ . 1 .]" 2
544 1 64 PHE QE 1 92 ILE HB 4.000 . 5.500 3.816 2.910 4.529 . 0 0 "[ . 1 .]" 2
545 1 64 PHE HZ 1 93 PHE QB 3.000 . 4.500 1.834 1.788 2.153 0.012 2 0 "[ . 1 .]" 2
546 1 93 PHE QB 1 96 LEU QB 4.000 . 5.500 3.526 3.464 3.675 . 0 0 "[ . 1 .]" 2
547 1 96 LEU QB 1 97 GLU QB 4.000 . 5.500 3.797 3.542 4.131 . 0 0 "[ . 1 .]" 2
548 1 53 SER QB 1 56 LYS H 4.000 . 5.500 5.106 4.747 5.505 0.005 3 0 "[ . 1 .]" 2
549 1 49 GLN HA 1 53 SER QB 4.000 . 5.500 5.515 5.506 5.544 0.044 1 0 "[ . 1 .]" 2
550 1 38 GLN HA 1 41 ILE MG 4.000 . 5.500 3.529 1.974 4.651 . 0 0 "[ . 1 .]" 2
551 1 23 TRP HD1 1 71 LEU HA 4.000 . 5.500 5.384 5.236 5.661 0.161 8 0 "[ . 1 .]" 2
552 1 23 TRP HE3 1 71 LEU HA 4.000 . 5.500 1.872 1.778 2.530 0.022 12 0 "[ . 1 .]" 2
553 1 79 LYS HA 1 82 VAL MG2 4.000 . 5.500 3.340 1.910 3.795 . 0 0 "[ . 1 .]" 2
554 1 86 GLU HA 1 88 ASN QB 4.000 . 5.500 4.805 4.484 5.047 . 0 0 "[ . 1 .]" 2
555 1 42 GLU HA 1 47 PHE H 4.000 . 5.500 5.628 5.579 5.675 0.175 4 0 "[ . 1 .]" 2
556 1 57 LEU QB 1 58 GLN HA 4.000 . 5.500 4.126 3.902 4.382 . 0 0 "[ . 1 .]" 2
557 1 58 GLN HA 1 97 GLU QG 4.000 . 5.500 4.399 3.299 5.478 . 0 0 "[ . 1 .]" 2
558 1 48 MET HA 1 50 GLY H 4.000 . 5.000 3.764 3.456 4.216 . 0 0 "[ . 1 .]" 2
559 1 5 LEU QB 1 48 MET HA 4.000 . 5.500 5.394 4.625 5.553 0.053 5 0 "[ . 1 .]" 2
560 1 48 MET HA 1 99 LEU QB 4.000 . 5.500 5.231 4.481 5.520 0.020 9 0 "[ . 1 .]" 2
561 1 60 MET QG 1 63 GLU HA 4.000 . 5.500 5.505 5.423 5.542 0.042 5 0 "[ . 1 .]" 2
562 1 75 LEU MD2 1 81 THR HB 4.000 . 6.000 5.076 4.168 5.394 . 0 0 "[ . 1 .]" 2
563 1 75 LEU MD1 1 81 THR HB 3.000 . 4.500 3.155 2.742 3.482 . 0 0 "[ . 1 .]" 2
564 1 81 THR HB 1 82 VAL MG2 3.000 . 4.500 3.194 3.119 3.296 . 0 0 "[ . 1 .]" 2
565 1 81 THR HB 1 82 VAL MG1 4.000 . 6.000 5.485 5.246 5.540 . 0 0 "[ . 1 .]" 2
566 1 75 LEU HA 1 81 THR HB 4.000 . 6.000 5.974 5.879 6.037 0.037 8 0 "[ . 1 .]" 2
567 1 36 HIS QB 1 63 GLU QG 4.000 . 5.500 2.617 1.949 3.430 . 0 0 "[ . 1 .]" 2
568 1 40 VAL HB 1 63 GLU QG 4.000 . 5.500 4.560 4.095 5.500 0.000 11 0 "[ . 1 .]" 2
569 1 8 LEU MD1 1 91 GLU QG 4.000 . 6.000 5.201 4.645 6.014 0.014 13 0 "[ . 1 .]" 2
570 1 8 LEU MD2 1 91 GLU QG 4.000 . 6.000 5.173 4.233 6.012 0.012 3 0 "[ . 1 .]" 2
571 1 86 GLU QG 1 87 GLN QB 3.000 . 4.500 3.470 3.280 3.776 . 0 0 "[ . 1 .]" 2
572 1 82 VAL MG2 1 86 GLU QG 3.000 . 4.500 4.493 4.329 4.548 0.048 15 0 "[ . 1 .]" 2
573 1 94 HIS HA 1 97 GLU QG 4.000 . 5.500 5.096 4.475 5.503 0.003 3 0 "[ . 1 .]" 2
574 1 56 LYS HA 1 59 GLU QG 4.000 . 5.500 5.238 4.391 5.505 0.005 4 0 "[ . 1 .]" 2
575 1 67 VAL HA 1 70 GLU QG 4.000 . 5.500 5.514 5.380 5.570 0.070 5 0 "[ . 1 .]" 2
576 1 13 GLN QG 1 16 LEU H 4.000 . 5.500 4.785 4.546 5.218 . 0 0 "[ . 1 .]" 2
577 1 13 GLN QG 1 14 GLU HA 4.000 . 5.500 4.220 3.681 5.000 . 0 0 "[ . 1 .]" 2
578 1 37 LEU MD1 1 38 GLN QG 4.000 . 5.500 4.606 3.858 5.369 . 0 0 "[ . 1 .]" 2
579 1 60 MET QG 1 64 PHE QD 4.000 . 5.500 4.402 3.866 4.761 . 0 0 "[ . 1 .]" 2
580 1 44 ILE MG 1 60 MET QG 3.000 . 4.500 4.508 4.324 4.546 0.046 14 0 "[ . 1 .]" 2
581 1 57 LEU HA 1 61 MET QG 4.000 . 5.500 5.107 4.142 5.533 0.033 14 0 "[ . 1 .]" 2
582 1 57 LEU HG 1 61 MET QG 4.000 . 5.500 4.481 3.588 5.516 0.016 13 0 "[ . 1 .]" 2
583 1 57 LEU MD1 1 61 MET QG 4.000 . 5.500 3.861 3.092 4.606 . 0 0 "[ . 1 .]" 2
584 1 80 HIS H 1 83 HIS QB 4.000 . 5.500 4.216 4.058 4.828 . 0 0 "[ . 1 .]" 2
585 1 67 VAL MG1 1 68 LEU MD2 4.000 . 6.000 4.950 4.364 5.249 . 0 0 "[ . 1 .]" 2
586 1 40 VAL MG1 1 44 ILE HB 4.000 . 5.500 3.885 3.484 4.679 . 0 0 "[ . 1 .]" 2
587 1 40 VAL MG1 1 56 LYS QD 4.000 . 6.000 4.281 3.328 5.304 . 0 0 "[ . 1 .]" 2
588 1 32 ASP QB 1 33 VAL MG1 4.000 . 5.500 5.046 4.528 5.299 . 0 0 "[ . 1 .]" 2
589 1 82 VAL MG1 1 83 HIS HA 4.000 . 5.500 3.732 3.622 4.279 . 0 0 "[ . 1 .]" 2
590 1 15 VAL MG1 1 16 LEU HA 4.000 . 5.500 2.883 2.753 3.054 . 0 0 "[ . 1 .]" 2
591 1 12 LEU QB 1 15 VAL MG1 4.000 . 5.500 3.247 3.053 3.421 . 0 0 "[ . 1 .]" 2
592 1 22 ASN QB 1 81 THR MG 4.000 . 5.500 1.930 1.798 2.286 0.002 3 0 "[ . 1 .]" 2
593 1 20 HIS HD2 1 30 LEU MD2 4.000 . 5.500 4.584 3.624 5.614 0.114 10 0 "[ . 1 .]" 2
594 1 30 LEU MD2 1 34 ASP QB 4.000 . 5.500 3.517 3.165 4.203 . 0 0 "[ . 1 .]" 2
595 1 12 LEU MD2 1 37 LEU HG 4.000 . 5.500 3.774 2.774 4.343 . 0 0 "[ . 1 .]" 2
596 1 68 LEU MD2 1 85 ILE HB 4.000 . 5.500 3.928 3.608 4.050 . 0 0 "[ . 1 .]" 2
597 1 19 LEU QB 1 68 LEU MD2 4.000 . 5.500 4.239 3.699 4.368 . 0 0 "[ . 1 .]" 2
598 1 68 LEU MD2 1 86 GLU HA 4.000 . 5.500 1.946 1.823 2.281 . 0 0 "[ . 1 .]" 2
599 1 12 LEU QB 1 15 VAL MG2 4.000 . 5.500 5.068 4.881 5.164 . 0 0 "[ . 1 .]" 2
600 1 15 VAL MG2 1 88 ASN QB 4.000 . 5.500 2.233 1.827 2.421 . 0 0 "[ . 1 .]" 2
601 1 48 MET HA 1 99 LEU MD1 4.000 . 5.500 5.310 4.084 5.547 0.047 12 0 "[ . 1 .]" 2
602 1 96 LEU MD2 1 99 LEU MD1 4.000 . 6.500 4.563 1.974 5.143 . 0 0 "[ . 1 .]" 2
603 1 64 PHE QD 1 96 LEU MD2 4.000 . 5.500 5.462 5.231 5.527 0.027 14 0 "[ . 1 .]" 2
604 1 5 LEU HG 1 96 LEU MD2 4.000 . 5.500 2.897 2.733 3.279 . 0 0 "[ . 1 .]" 2
605 1 72 ASN H 1 82 VAL MG2 4.000 . 5.500 3.983 3.766 4.379 . 0 0 "[ . 1 .]" 2
606 1 82 VAL MG2 1 83 HIS H 4.000 . 5.500 3.675 2.979 3.796 . 0 0 "[ . 1 .]" 2
607 1 23 TRP HD1 1 71 LEU MD1 4.000 . 6.000 4.077 3.614 4.297 . 0 0 "[ . 1 .]" 2
608 1 23 TRP HZ3 1 71 LEU MD1 4.000 . 6.000 6.087 5.336 6.178 0.178 4 0 "[ . 1 .]" 2
609 1 68 LEU HG 1 71 LEU MD1 3.000 . 4.500 3.882 3.309 4.029 . 0 0 "[ . 1 .]" 2
610 1 68 LEU QB 1 71 LEU MD1 4.000 . 5.500 5.021 4.226 5.199 . 0 0 "[ . 1 .]" 2
611 1 68 LEU MD1 1 71 LEU MD1 4.000 . 6.000 4.680 3.952 4.903 . 0 0 "[ . 1 .]" 2
612 1 23 TRP HD1 1 33 VAL MG2 4.000 . 6.000 6.075 6.047 6.112 0.112 4 0 "[ . 1 .]" 2
613 1 23 TRP HZ3 1 33 VAL MG2 4.000 . 6.000 5.257 4.808 5.808 . 0 0 "[ . 1 .]" 2
614 1 23 TRP HZ2 1 33 VAL MG2 4.000 . 6.000 5.307 4.820 6.048 0.048 8 0 "[ . 1 .]" 2
615 1 57 LEU MD1 1 64 PHE QD 4.000 . 5.500 3.841 3.642 4.219 . 0 0 "[ . 1 .]" 2
616 1 57 LEU MD1 1 64 PHE QE 4.000 . 5.500 3.191 2.716 3.711 . 0 0 "[ . 1 .]" 2
617 1 57 LEU MD1 1 64 PHE HZ 4.000 . 5.500 4.978 4.385 5.510 0.010 11 0 "[ . 1 .]" 2
618 1 57 LEU MD1 1 60 MET QB 4.000 . 5.500 3.533 3.251 3.979 . 0 0 "[ . 1 .]" 2
619 1 57 LEU MD1 1 96 LEU QB 3.000 . 4.500 2.024 1.804 2.523 . 0 0 "[ . 1 .]" 2
620 1 56 LYS QD 1 57 LEU MD1 4.000 . 5.500 3.206 2.642 3.803 . 0 0 "[ . 1 .]" 2
621 1 33 VAL MG2 1 67 VAL MG2 4.000 . 5.500 3.317 2.759 3.860 . 0 0 "[ . 1 .]" 2
622 1 75 LEU MD1 1 79 LYS HA 4.000 . 5.500 2.008 1.790 2.556 0.010 13 0 "[ . 1 .]" 2
623 1 71 LEU MD1 1 72 ASN QB 4.000 . 5.500 5.183 4.953 5.564 0.064 8 0 "[ . 1 .]" 2
624 1 23 TRP HE3 1 75 LEU MD2 4.000 . 6.000 5.430 4.551 5.710 . 0 0 "[ . 1 .]" 2
625 1 75 LEU MD2 1 79 LYS HA 3.000 . 4.500 3.082 2.810 3.694 . 0 0 "[ . 1 .]" 2
626 1 75 LEU MD2 1 79 LYS QE 4.000 . 5.500 4.753 2.360 5.524 0.024 13 0 "[ . 1 .]" 2
627 1 92 ILE HA 1 96 LEU MD1 4.000 . 5.500 4.305 4.105 4.485 . 0 0 "[ . 1 .]" 2
628 1 56 LYS QE 1 96 LEU MD1 4.000 . 6.000 5.438 4.657 6.038 0.038 14 0 "[ . 1 .]" 2
629 1 57 LEU MD2 1 64 PHE QD 4.000 . 6.000 5.960 5.634 6.032 0.032 11 0 "[ . 1 .]" 2
630 1 57 LEU MD2 1 64 PHE QE 4.000 . 6.000 5.033 4.659 5.766 . 0 0 "[ . 1 .]" 2
631 1 57 LEU MD2 1 96 LEU HA 4.000 . 5.500 3.419 2.754 4.292 . 0 0 "[ . 1 .]" 2
632 1 57 LEU MD2 1 96 LEU QB 4.000 . 5.500 2.334 1.879 3.414 . 0 0 "[ . 1 .]" 2
633 1 9 LEU MD1 1 44 ILE HB 2.500 . 3.500 2.095 1.849 2.455 . 0 0 "[ . 1 .]" 2
634 1 95 HIS QB 1 99 LEU MD2 4.000 . 5.500 5.314 4.162 5.515 0.015 12 0 "[ . 1 .]" 2
635 1 19 LEU MD1 1 20 HIS HA 4.000 . 5.500 4.635 4.390 4.761 . 0 0 "[ . 1 .]" 2
636 1 16 LEU HA 1 19 LEU MD1 3.000 . 4.500 3.246 3.003 3.456 . 0 0 "[ . 1 .]" 2
637 1 19 LEU MD1 1 34 ASP QB 4.000 . 5.500 3.876 3.185 4.289 . 0 0 "[ . 1 .]" 2
638 1 13 GLN QG 1 37 LEU MD2 4.000 . 5.500 5.032 4.346 5.350 . 0 0 "[ . 1 .]" 2
639 1 12 LEU MD2 1 37 LEU MD2 3.000 . 4.500 3.589 2.504 4.133 . 0 0 "[ . 1 .]" 2
640 1 16 LEU MD1 1 34 ASP HA 4.000 . 5.500 3.991 3.720 4.641 . 0 0 "[ . 1 .]" 2
641 1 9 LEU MD2 1 44 ILE HB 3.000 . 4.500 3.470 2.994 4.093 . 0 0 "[ . 1 .]" 2
642 1 19 LEU MD1 1 23 TRP HE3 4.000 . 6.000 5.163 4.862 6.029 0.029 8 0 "[ . 1 .]" 2
643 1 19 LEU MD1 1 68 LEU H 4.000 . 6.000 4.146 3.657 4.326 . 0 0 "[ . 1 .]" 2
644 1 13 GLN QB 1 37 LEU MD1 4.000 . 5.500 3.409 2.803 3.873 . 0 0 "[ . 1 .]" 2
645 1 12 LEU MD2 1 37 LEU MD1 4.000 . 5.500 2.153 1.778 2.589 0.022 4 0 "[ . 1 .]" 2
646 1 16 LEU MD2 1 85 ILE HA 4.000 . 6.000 5.160 4.759 5.513 . 0 0 "[ . 1 .]" 2
647 1 13 GLN HA 1 16 LEU MD2 4.000 . 6.000 1.825 1.765 1.873 0.035 8 0 "[ . 1 .]" 2
648 1 15 VAL HB 1 16 LEU MD2 4.000 . 6.000 4.073 3.899 4.299 . 0 0 "[ . 1 .]" 2
649 1 12 LEU HG 1 16 LEU MD2 4.000 . 6.000 2.496 2.168 4.444 . 0 0 "[ . 1 .]" 2
650 1 5 LEU MD2 1 95 HIS QB 4.000 . 6.000 2.578 2.057 3.204 . 0 0 "[ . 1 .]" 2
651 1 5 LEU MD2 1 96 LEU MD2 4.000 . 6.000 4.015 3.833 4.459 . 0 0 "[ . 1 .]" 2
652 1 8 LEU MD2 1 11 ASP QB 4.000 . 6.000 2.853 2.174 4.088 . 0 0 "[ . 1 .]" 2
653 1 7 ASP QB 1 8 LEU MD2 4.000 . 6.000 5.096 4.370 5.667 . 0 0 "[ . 1 .]" 2
654 1 8 LEU MD2 1 92 ILE MG 4.000 . 6.000 5.098 4.268 6.005 0.005 15 0 "[ . 1 .]" 2
655 1 44 ILE QG 1 56 LYS QD 4.000 . 6.000 3.652 2.667 4.791 . 0 0 "[ . 1 .]" 2
656 1 12 LEU HG 1 89 ILE MD 4.000 . 6.000 2.717 2.365 4.088 . 0 0 "[ . 1 .]" 2
657 1 85 ILE MD 1 89 ILE MD 4.000 . 6.000 2.333 2.191 2.659 . 0 0 "[ . 1 .]" 2
658 1 44 ILE MD 1 56 LYS QD 4.000 . 6.000 3.314 1.797 5.236 0.003 9 0 "[ . 1 .]" 2
659 1 41 ILE MD 1 44 ILE MD 4.000 . 6.000 3.995 2.397 5.958 . 0 0 "[ . 1 .]" 2
660 1 12 LEU HA 1 92 ILE MD 3.000 . 4.500 3.417 2.788 3.731 . 0 0 "[ . 1 .]" 2
661 1 38 GLN QG 1 41 ILE MG 4.000 . 6.000 3.937 2.582 6.007 0.007 10 0 "[ . 1 .]" 2
662 1 13 GLN QB 1 41 ILE MG 4.000 . 6.000 3.665 3.125 4.186 . 0 0 "[ . 1 .]" 2
663 1 41 ILE MG 1 42 GLU HA 4.000 . 6.000 3.339 3.036 3.802 . 0 0 "[ . 1 .]" 2
664 1 44 ILE MG 1 56 LYS QD 4.000 . 6.000 3.468 2.882 4.223 . 0 0 "[ . 1 .]" 2
665 1 89 ILE MG 1 93 PHE QB 4.000 . 6.000 4.422 3.983 4.608 . 0 0 "[ . 1 .]" 2
666 1 64 PHE QB 1 92 ILE MG 4.000 . 6.000 4.092 3.908 4.437 . 0 0 "[ . 1 .]" 2
667 1 92 ILE MG 1 93 PHE QB 4.000 . 6.000 3.338 2.980 3.537 . 0 0 "[ . 1 .]" 2
668 1 92 ILE MG 1 96 LEU QB 4.000 . 6.000 3.401 3.282 3.526 . 0 0 "[ . 1 .]" 2
669 1 18 ASN QD 1 85 ILE MG 4.000 . 6.000 4.377 3.621 5.080 . 0 0 "[ . 1 .]" 2
670 1 53 SER H 1 56 LYS QG 4.000 . 6.000 4.785 3.740 6.031 0.031 11 0 "[ . 1 .]" 2
671 1 43 ASP HA 1 56 LYS QG 4.000 . 6.000 5.385 4.209 6.023 0.023 2 0 "[ . 1 .]" 2
672 1 27 LYS QG 1 28 ASP HA 4.000 . 6.000 3.855 3.269 4.412 . 0 0 "[ . 1 .]" 2
673 1 19 LEU HG 1 30 LEU HG 2.500 . 3.400 3.053 2.728 3.425 0.025 8 0 "[ . 1 .]" 2
674 1 12 LEU HG 1 15 VAL MG1 4.000 . 6.000 3.624 3.246 4.902 . 0 0 "[ . 1 .]" 2
675 1 92 ILE MG 1 96 LEU HG 4.000 . 6.000 2.297 1.941 2.593 . 0 0 "[ . 1 .]" 2
676 1 5 LEU MD1 1 96 LEU HG 4.000 . 6.000 3.337 2.783 3.702 . 0 0 "[ . 1 .]" 2
677 1 93 PHE HA 1 96 LEU HG 3.000 . 4.000 3.215 3.001 3.475 . 0 0 "[ . 1 .]" 2
678 1 96 LEU HA 1 99 LEU HG 4.000 . 6.000 5.484 3.160 6.003 0.003 3 0 "[ . 1 .]" 2
679 1 16 LEU HG 1 34 ASP HA 4.000 . 6.000 3.583 3.252 4.020 . 0 0 "[ . 1 .]" 2
680 1 19 LEU QB 1 68 LEU HG 4.000 . 6.000 3.799 3.452 3.890 . 0 0 "[ . 1 .]" 2
681 1 68 LEU HG 1 71 LEU QB 4.000 . 6.000 3.414 3.332 3.492 . 0 0 "[ . 1 .]" 2
682 1 68 LEU HG 1 85 ILE HB 4.000 . 6.000 4.930 4.820 5.447 . 0 0 "[ . 1 .]" 2
683 1 12 LEU MD1 1 37 LEU HG 4.000 . 6.000 3.578 3.192 4.439 . 0 0 "[ . 1 .]" 2
684 1 37 LEU HG 1 41 ILE MD 4.000 . 6.000 4.608 3.613 5.768 . 0 0 "[ . 1 .]" 2
685 1 16 LEU QB 1 19 LEU HG 4.000 . 6.000 4.919 4.627 5.172 . 0 0 "[ . 1 .]" 2
686 1 57 LEU HG 1 64 PHE QE 4.000 . 6.000 4.651 4.020 5.696 . 0 0 "[ . 1 .]" 2
687 1 4 LYS H 1 5 LEU QB 4.000 . 5.000 4.248 3.878 4.423 . 0 0 "[ . 1 .]" 2
688 1 4 LYS H 1 48 MET QG 4.000 . 5.000 4.911 4.091 5.050 0.050 11 0 "[ . 1 .]" 2
689 1 2 TYR QB 1 4 LYS H 4.000 . 5.500 4.774 3.790 5.247 . 0 0 "[ . 1 .]" 2
690 1 3 GLY H 1 6 ASN H 4.000 . 5.500 5.150 4.525 5.530 0.030 15 0 "[ . 1 .]" 2
691 1 10 GLU H 1 12 LEU QB 4.000 . 5.500 5.114 4.943 5.475 . 0 0 "[ . 1 .]" 2
692 1 12 LEU H 1 15 VAL MG2 4.000 . 5.500 5.606 5.578 5.641 0.141 15 0 "[ . 1 .]" 2
693 1 13 GLN H 1 16 LEU QB 4.000 . 5.500 5.446 5.279 5.534 0.034 5 0 "[ . 1 .]" 2
694 1 13 GLN H 1 89 ILE QG 4.000 . 5.500 5.125 5.016 5.368 . 0 0 "[ . 1 .]" 2
695 1 85 ILE MD 1 86 GLU H 4.000 . 5.500 4.301 3.905 4.641 . 0 0 "[ . 1 .]" 2
696 1 82 VAL HB 1 86 GLU H 4.000 . 5.500 4.791 4.666 5.062 . 0 0 "[ . 1 .]" 2
697 1 14 GLU H 1 15 VAL MG2 4.000 . 5.500 5.534 5.518 5.553 0.053 5 0 "[ . 1 .]" 2
698 1 16 LEU H 1 19 LEU QB 4.000 . 5.500 4.500 4.409 4.640 . 0 0 "[ . 1 .]" 2
699 1 18 ASN H 1 19 LEU QB 4.000 . 5.000 3.993 3.913 4.061 . 0 0 "[ . 1 .]" 2
700 1 19 LEU H 1 85 ILE MD 4.000 . 5.500 3.355 3.239 3.424 . 0 0 "[ . 1 .]" 2
701 1 19 LEU H 1 22 ASN H 4.000 . 5.500 5.182 4.905 5.361 . 0 0 "[ . 1 .]" 2
702 1 19 LEU QB 1 22 ASN H 4.000 . 6.000 4.868 4.721 4.999 . 0 0 "[ . 1 .]" 2
703 1 22 ASN H 1 75 LEU MD1 4.000 . 6.000 4.891 4.469 5.439 . 0 0 "[ . 1 .]" 2
704 1 23 TRP H 1 75 LEU MD1 4.000 . 6.000 4.615 4.217 5.101 . 0 0 "[ . 1 .]" 2
705 1 23 TRP H 1 23 TRP HD1 3.000 . 3.800 3.328 3.019 3.593 . 0 0 "[ . 1 .]" 2
706 1 27 LYS H 1 27 LYS QD 4.000 . 5.000 4.453 4.022 4.772 . 0 0 "[ . 1 .]" 2
707 1 24 HIS H 1 75 LEU MD1 4.000 . 6.000 5.445 4.976 5.820 . 0 0 "[ . 1 .]" 2
708 1 24 HIS H 1 76 GLN QB 4.000 . 6.000 3.717 3.183 4.417 . 0 0 "[ . 1 .]" 2
709 1 33 VAL H 1 34 ASP HA 4.000 . 5.500 5.135 5.017 5.296 . 0 0 "[ . 1 .]" 2
710 1 33 VAL H 1 36 HIS QB 4.000 . 5.500 5.298 5.070 5.493 . 0 0 "[ . 1 .]" 2
711 1 27 LYS QB 1 31 HIS H 4.000 . 5.500 4.682 4.490 4.870 . 0 0 "[ . 1 .]" 2
712 1 36 HIS H 1 67 VAL MG2 4.000 . 6.000 3.478 3.240 3.712 . 0 0 "[ . 1 .]" 2
713 1 36 HIS H 1 37 LEU QB 4.000 . 5.500 4.262 4.124 4.699 . 0 0 "[ . 1 .]" 2
714 1 37 LEU QB 1 39 ASN H 4.000 . 6.000 4.366 4.218 4.949 . 0 0 "[ . 1 .]" 2
715 1 39 ASN H 1 40 VAL MG2 4.000 . 6.000 3.993 3.791 4.219 . 0 0 "[ . 1 .]" 2
716 1 36 HIS H 1 39 ASN H 4.000 . 6.000 4.676 4.543 4.777 . 0 0 "[ . 1 .]" 2
717 1 37 LEU HG 1 41 ILE H 4.000 . 6.000 5.855 4.748 6.027 0.027 10 0 "[ . 1 .]" 2
718 1 41 ILE QG 1 42 GLU H 4.000 . 6.000 4.104 3.802 4.591 . 0 0 "[ . 1 .]" 2
719 1 41 ILE MG 1 42 GLU H 4.000 . 6.000 2.646 1.909 3.700 . 0 0 "[ . 1 .]" 2
720 1 43 ASP H 1 44 ILE HA 4.000 . 5.500 5.036 4.953 5.225 . 0 0 "[ . 1 .]" 2
721 1 43 ASP H 1 60 MET QG 4.000 . 6.000 4.680 4.180 5.223 . 0 0 "[ . 1 .]" 2
722 1 44 ILE H 1 56 LYS QD 4.000 . 5.500 4.628 4.016 5.401 . 0 0 "[ . 1 .]" 2
723 1 44 ILE H 1 46 ASP QB 4.000 . 5.500 4.818 4.595 5.199 . 0 0 "[ . 1 .]" 2
724 1 45 HIS H 1 46 ASP QB 4.000 . 5.500 4.452 4.314 4.631 . 0 0 "[ . 1 .]" 2
725 1 44 ILE QG 1 47 PHE H 4.000 . 6.000 5.457 5.143 5.893 . 0 0 "[ . 1 .]" 2
726 1 3 GLY QA 1 50 GLY H 4.000 . 6.000 5.789 4.902 6.036 0.036 3 0 "[ . 1 .]" 2
727 1 55 GLY H 1 57 LEU QB 4.000 . 6.000 4.048 3.659 5.536 . 0 0 "[ . 1 .]" 2
728 1 55 GLY H 1 56 LYS QB 4.000 . 6.000 4.230 3.753 4.582 . 0 0 "[ . 1 .]" 2
729 1 55 GLY H 1 100 VAL MG2 4.000 . 6.000 4.315 3.885 5.523 . 0 0 "[ . 1 .]" 2
730 1 53 SER HA 1 55 GLY H 4.000 . 6.000 4.081 3.817 4.343 . 0 0 "[ . 1 .]" 2
731 1 55 GLY H 1 58 GLN H 4.000 . 6.000 4.200 3.845 5.470 . 0 0 "[ . 1 .]" 2
732 1 64 PHE QD 1 68 LEU H 4.000 . 5.500 5.324 5.101 5.517 0.017 11 0 "[ . 1 .]" 2
733 1 56 LYS QD 1 59 GLU H 4.000 . 6.000 5.473 4.978 6.045 0.045 15 0 "[ . 1 .]" 2
734 1 66 GLN H 1 67 VAL MG2 4.000 . 6.000 4.273 3.956 4.606 . 0 0 "[ . 1 .]" 2
735 1 36 HIS QB 1 67 VAL H 4.000 . 5.000 4.448 4.135 4.760 . 0 0 "[ . 1 .]" 2
736 1 69 ASP H 1 72 ASN H 4.000 . 5.500 4.485 4.311 4.978 . 0 0 "[ . 1 .]" 2
737 1 69 ASP H 1 70 GLU QB 4.000 . 5.500 4.286 4.206 4.434 . 0 0 "[ . 1 .]" 2
738 1 67 VAL HB 1 69 ASP H 4.000 . 5.500 4.646 4.450 4.746 . 0 0 "[ . 1 .]" 2
739 1 67 VAL MG1 1 69 ASP H 4.000 . 6.000 4.441 4.300 4.590 . 0 0 "[ . 1 .]" 2
740 1 33 VAL MG2 1 69 ASP H 4.000 . 6.000 4.818 4.071 5.310 . 0 0 "[ . 1 .]" 2
741 1 68 LEU MD1 1 69 ASP H 4.000 . 6.000 4.544 4.313 4.629 . 0 0 "[ . 1 .]" 2
742 1 68 LEU MD2 1 69 ASP H 4.000 . 6.000 5.260 5.159 5.338 . 0 0 "[ . 1 .]" 2
743 1 72 ASN H 1 73 ASN QB 4.000 . 6.000 4.636 4.521 4.858 . 0 0 "[ . 1 .]" 2
744 1 74 HIS H 1 75 LEU QB 4.000 . 6.000 3.971 3.851 4.160 . 0 0 "[ . 1 .]" 2
745 1 75 LEU MD1 1 77 GLY H 4.000 . 6.000 3.723 3.171 4.264 . 0 0 "[ . 1 .]" 2
746 1 75 LEU QB 1 77 GLY H 3.000 . 4.500 3.893 3.330 4.527 0.027 3 0 "[ . 1 .]" 2
747 1 22 ASN QB 1 77 GLY H 4.000 . 6.000 4.765 3.294 6.013 0.013 4 0 "[ . 1 .]" 2
748 1 79 LYS H 1 80 HIS QB 4.000 . 6.000 4.690 4.463 5.056 . 0 0 "[ . 1 .]" 2
749 1 75 LEU MD2 1 80 HIS H 4.000 . 6.000 5.941 5.716 6.086 0.086 6 0 "[ . 1 .]" 2
750 1 75 LEU MD1 1 81 THR H 4.000 . 6.000 3.567 3.410 3.890 . 0 0 "[ . 1 .]" 2
751 1 75 LEU MD2 1 81 THR H 4.000 . 6.000 5.505 5.312 5.811 . 0 0 "[ . 1 .]" 2
752 1 83 HIS H 1 84 HIS HA 4.000 . 6.000 5.386 5.341 5.468 . 0 0 "[ . 1 .]" 2
753 1 84 HIS H 1 85 ILE HB 4.000 . 6.000 5.808 5.018 5.947 . 0 0 "[ . 1 .]" 2
754 1 88 ASN H 1 89 ILE HB 4.000 . 6.000 4.443 4.352 4.511 . 0 0 "[ . 1 .]" 2
755 1 88 ASN H 1 89 ILE MG 4.000 . 6.000 5.057 4.986 5.212 . 0 0 "[ . 1 .]" 2
756 1 86 GLU H 1 89 ILE H 4.000 . 5.500 4.426 4.254 4.596 . 0 0 "[ . 1 .]" 2
757 1 89 ILE H 1 90 LYS QB 4.000 . 6.000 4.757 4.479 4.999 . 0 0 "[ . 1 .]" 2
758 1 92 ILE H 1 93 PHE QB 4.000 . 6.000 4.190 4.101 4.360 . 0 0 "[ . 1 .]" 2
759 1 94 HIS H 1 96 LEU QB 4.000 . 6.000 4.228 4.154 4.351 . 0 0 "[ . 1 .]" 2
760 1 92 ILE MG 1 95 HIS H 4.000 . 6.000 4.904 4.722 5.055 . 0 0 "[ . 1 .]" 2
761 1 92 ILE H 1 96 LEU QB 4.000 . 6.000 6.093 6.077 6.109 0.109 9 0 "[ . 1 .]" 2
762 1 96 LEU H 1 99 LEU H 4.000 . 6.000 4.582 4.315 5.132 . 0 0 "[ . 1 .]" 2
763 1 93 PHE QE 1 96 LEU H 4.000 . 6.000 6.157 6.092 6.191 0.191 5 0 "[ . 1 .]" 2
764 1 95 HIS QB 1 96 LEU H 4.000 . 6.000 3.243 3.198 3.282 . 0 0 "[ . 1 .]" 2
765 1 96 LEU H 1 97 GLU QB 4.000 . 6.000 4.255 4.139 4.480 . 0 0 "[ . 1 .]" 2
766 1 5 LEU MD1 1 96 LEU H 4.000 . 6.000 3.815 3.481 4.341 . 0 0 "[ . 1 .]" 2
767 1 92 ILE HA 1 93 PHE QD 4.000 . 6.000 4.985 4.493 5.841 . 0 0 "[ . 1 .]" 2
768 1 93 PHE QE 1 94 HIS HA 4.000 . 6.000 3.492 3.146 3.786 . 0 0 "[ . 1 .]" 2
769 1 47 PHE QD 1 57 LEU QB 4.000 . 6.000 5.639 3.732 6.020 0.020 7 0 "[ . 1 .]" 2
770 1 47 PHE QD 1 60 MET QB 4.000 . 6.000 5.378 4.374 5.813 . 0 0 "[ . 1 .]" 2
771 1 23 TRP HD1 1 70 GLU QB 4.000 . 6.000 6.055 6.045 6.072 0.072 10 0 "[ . 1 .]" 2
772 1 23 TRP HD1 1 70 GLU QG 4.000 . 6.000 6.057 6.010 6.098 0.098 14 0 "[ . 1 .]" 2
773 1 23 TRP HD1 1 33 VAL MG1 4.000 . 6.000 4.940 4.041 5.778 . 0 0 "[ . 1 .]" 2
774 1 23 TRP HZ3 1 33 VAL MG1 4.000 . 6.000 6.032 5.915 6.129 0.129 14 0 "[ . 1 .]" 2
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