NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437075 |
2k2d   |
15701 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k2d
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 709
_Distance_constraint_stats_list.Viol_count 321
_Distance_constraint_stats_list.Viol_total 305.971
_Distance_constraint_stats_list.Viol_max 0.291
_Distance_constraint_stats_list.Viol_rms 0.0141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0635
_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 33 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 34 MET 0.488 0.104 3 0 "[ . 1 .]"
1 35 THR 0.513 0.104 3 0 "[ . 1 .]"
1 36 VAL 0.710 0.081 5 0 "[ . 1 .]"
1 37 ASP 0.719 0.291 4 0 "[ . 1 .]"
1 38 ILE 4.990 0.218 8 0 "[ . 1 .]"
1 39 LEU 2.921 0.218 8 0 "[ . 1 .]"
1 40 CYS 0.390 0.079 1 0 "[ . 1 .]"
1 41 ASN 2.207 0.176 6 0 "[ . 1 .]"
1 42 ASP 0.965 0.106 8 0 "[ . 1 .]"
1 43 CYS 1.159 0.106 8 0 "[ . 1 .]"
1 44 ASN 1.128 0.184 5 0 "[ . 1 .]"
1 45 GLY 0.039 0.027 1 0 "[ . 1 .]"
1 46 ARG 1.898 0.291 4 0 "[ . 1 .]"
1 47 SER 0.114 0.039 5 0 "[ . 1 .]"
1 48 THR 0.490 0.113 2 0 "[ . 1 .]"
1 49 VAL 0.372 0.121 13 0 "[ . 1 .]"
1 50 GLN 0.291 0.120 15 0 "[ . 1 .]"
1 51 PHE 1.661 0.120 15 0 "[ . 1 .]"
1 52 HIS 0.936 0.093 2 0 "[ . 1 .]"
1 53 ILE 0.154 0.081 3 0 "[ . 1 .]"
1 54 LEU 0.236 0.081 3 0 "[ . 1 .]"
1 55 GLY 0.157 0.056 13 0 "[ . 1 .]"
1 56 MET 0.987 0.157 15 0 "[ . 1 .]"
1 57 LYS 0.334 0.084 10 0 "[ . 1 .]"
1 58 CYS 2.509 0.266 15 0 "[ . 1 .]"
1 59 LYS 0.090 0.031 11 0 "[ . 1 .]"
1 60 ILE 0.738 0.106 2 0 "[ . 1 .]"
1 61 CYS 0.994 0.106 2 0 "[ . 1 .]"
1 62 GLU 2.761 0.266 15 0 "[ . 1 .]"
1 63 SER 0.051 0.051 3 0 "[ . 1 .]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 65 ASN 0.046 0.036 6 0 "[ . 1 .]"
1 66 THR 2.196 0.176 6 0 "[ . 1 .]"
1 67 ALA 2.254 0.161 6 0 "[ . 1 .]"
1 68 GLN 0.786 0.157 15 0 "[ . 1 .]"
1 69 ALA 1.046 0.165 10 0 "[ . 1 .]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 73 ARG 0.274 0.200 1 0 "[ . 1 .]"
1 74 ILE 0.274 0.200 1 0 "[ . 1 .]"
1 75 SER 0.000 0.000 . 0 "[ . 1 .]"
1 76 LEU 0.697 0.186 15 0 "[ . 1 .]"
1 77 ASP 0.513 0.112 5 0 "[ . 1 .]"
1 78 GLN 0.277 0.186 15 0 "[ . 1 .]"
1 79 GLN 0.000 0.000 . 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 47 SER H 1 47 SER HB3 4.000 . 5.000 3.854 3.789 3.918 . 0 0 "[ . 1 .]" 1
2 1 47 SER H 1 47 SER HB2 4.000 . 5.000 2.778 2.672 2.883 . 0 0 "[ . 1 .]" 1
3 1 38 ILE MG 1 47 SER H 4.000 . 6.000 5.009 4.784 5.198 . 0 0 "[ . 1 .]" 1
4 1 38 ILE MD 1 47 SER H 4.000 . 5.000 3.867 2.538 4.473 . 0 0 "[ . 1 .]" 1
5 1 38 ILE HA 1 69 ALA H 3.000 . 3.500 2.363 1.880 3.317 . 0 0 "[ . 1 .]" 1
6 1 69 ALA H 1 69 ALA MB 3.000 . 3.500 2.270 2.226 2.313 . 0 0 "[ . 1 .]" 1
7 1 37 ASP QB 1 69 ALA H 4.000 . 5.000 4.091 3.323 5.058 0.058 13 0 "[ . 1 .]" 1
8 1 38 ILE HB 1 69 ALA H 4.000 . 6.000 4.802 4.268 5.775 . 0 0 "[ . 1 .]" 1
9 1 39 LEU HB2 1 69 ALA H 4.000 . 6.000 3.983 3.526 4.716 . 0 0 "[ . 1 .]" 1
10 1 38 ILE MG 1 69 ALA H 4.000 . 5.000 3.546 2.933 4.162 . 0 0 "[ . 1 .]" 1
11 1 59 LYS H 1 59 LYS HB2 4.000 . 5.000 2.435 2.205 2.546 . 0 0 "[ . 1 .]" 1
12 1 38 ILE MD 1 59 LYS H 4.000 . 5.000 4.473 4.137 5.020 0.020 1 0 "[ . 1 .]" 1
13 1 49 VAL MG1 1 59 LYS H 4.000 . 5.000 3.664 3.251 4.252 . 0 0 "[ . 1 .]" 1
14 1 59 LYS H 1 66 THR MG 4.000 . 6.000 5.706 4.886 6.013 0.013 2 0 "[ . 1 .]" 1
15 1 40 CYS H 1 46 ARG HA 4.000 . 5.000 3.227 2.833 3.520 . 0 0 "[ . 1 .]" 1
16 1 40 CYS H 1 40 CYS HB2 3.000 . 3.500 2.166 2.015 2.434 . 0 0 "[ . 1 .]" 1
17 1 40 CYS H 1 40 CYS HB3 3.000 . 3.500 3.309 2.826 3.541 0.041 12 0 "[ . 1 .]" 1
18 1 40 CYS H 1 66 THR MG 4.000 . 5.000 3.207 2.929 3.874 . 0 0 "[ . 1 .]" 1
19 1 40 CYS H 1 46 ARG HB2 4.000 . 6.000 5.303 4.711 5.698 . 0 0 "[ . 1 .]" 1
20 1 40 CYS H 1 41 ASN H 4.000 . 5.000 4.573 4.530 4.616 . 0 0 "[ . 1 .]" 1
21 1 41 ASN H 1 41 ASN HD22 4.000 . 5.000 4.507 4.109 5.074 0.074 8 0 "[ . 1 .]" 1
22 1 41 ASN H 1 66 THR HA 3.000 . 3.500 2.681 2.562 2.871 . 0 0 "[ . 1 .]" 1
23 1 41 ASN H 1 41 ASN HB2 3.000 . 3.500 2.476 2.362 2.592 . 0 0 "[ . 1 .]" 1
24 1 41 ASN H 1 41 ASN HB3 4.000 . 5.000 3.623 3.591 3.677 . 0 0 "[ . 1 .]" 1
25 1 41 ASN H 1 66 THR MG 4.000 . 5.000 3.522 3.262 3.777 . 0 0 "[ . 1 .]" 1
26 1 51 PHE H 1 51 PHE HD2 4.000 . 6.000 4.748 4.566 4.813 . 0 0 "[ . 1 .]" 1
27 1 51 PHE H 1 51 PHE HD1 4.000 . 6.000 4.699 4.557 4.890 . 0 0 "[ . 1 .]" 1
28 1 35 THR HA 1 51 PHE H 4.000 . 5.000 3.408 3.045 3.837 . 0 0 "[ . 1 .]" 1
29 1 51 PHE H 1 51 PHE HB2 3.000 . 3.500 2.595 2.474 2.745 . 0 0 "[ . 1 .]" 1
30 1 51 PHE H 1 51 PHE HB3 3.000 . 3.500 2.520 2.403 2.582 . 0 0 "[ . 1 .]" 1
31 1 36 VAL MG1 1 51 PHE H 4.000 . 5.000 4.191 3.490 4.758 . 0 0 "[ . 1 .]" 1
32 1 51 PHE HD1 1 52 HIS H 4.000 . 5.000 3.802 3.585 4.185 . 0 0 "[ . 1 .]" 1
33 1 52 HIS H 1 55 GLY H 4.000 . 5.000 4.819 4.414 5.056 0.056 13 0 "[ . 1 .]" 1
34 1 52 HIS H 1 56 MET HG2 4.000 . 5.000 2.804 1.744 3.668 0.056 8 0 "[ . 1 .]" 1
35 1 52 HIS H 1 56 MET HG3 4.000 . 5.000 2.253 1.742 2.892 0.058 13 0 "[ . 1 .]" 1
36 1 45 GLY H 1 46 ARG H 4.000 . 5.000 4.362 4.163 4.528 . 0 0 "[ . 1 .]" 1
37 1 46 ARG H 1 47 SER H 4.000 . 5.000 4.522 4.470 4.564 . 0 0 "[ . 1 .]" 1
38 1 46 ARG H 1 46 ARG HB3 3.000 . 3.500 2.930 2.742 3.186 . 0 0 "[ . 1 .]" 1
39 1 46 ARG H 1 60 ILE MD 3.000 . 3.500 3.230 2.836 3.593 0.093 1 0 "[ . 1 .]" 1
40 1 57 LYS H 1 57 LYS HB2 4.000 . 5.000 2.795 2.665 3.061 . 0 0 "[ . 1 .]" 1
41 1 49 VAL MG2 1 57 LYS H 4.000 . 5.000 3.068 2.283 4.239 . 0 0 "[ . 1 .]" 1
42 1 57 LYS H 1 57 LYS HB3 4.000 . 5.000 2.524 2.328 2.667 . 0 0 "[ . 1 .]" 1
43 1 38 ILE MD 1 57 LYS H 4.000 . 5.000 3.758 2.956 4.622 . 0 0 "[ . 1 .]" 1
44 1 65 ASN H 1 65 ASN HB2 4.000 . 5.000 2.644 2.423 3.635 . 0 0 "[ . 1 .]" 1
45 1 65 ASN H 1 65 ASN HB3 4.000 . 5.000 2.539 2.374 2.704 . 0 0 "[ . 1 .]" 1
46 1 65 ASN H 1 66 THR MG 4.000 . 5.000 3.680 3.473 3.953 . 0 0 "[ . 1 .]" 1
47 1 36 VAL H 1 37 ASP H 4.000 . 5.000 4.422 4.345 4.471 . 0 0 "[ . 1 .]" 1
48 1 37 ASP H 1 38 ILE H 4.000 . 5.000 4.424 4.358 4.496 . 0 0 "[ . 1 .]" 1
49 1 37 ASP H 1 37 ASP QB 3.000 . 3.500 2.456 2.186 2.902 . 0 0 "[ . 1 .]" 1
50 1 37 ASP H 1 38 ILE MG 4.000 . 5.000 4.398 4.252 4.602 . 0 0 "[ . 1 .]" 1
51 1 41 ASN H 1 42 ASP H 3.000 . 3.500 2.357 2.211 2.570 . 0 0 "[ . 1 .]" 1
52 1 40 CYS HA 1 42 ASP H 4.000 . 5.000 3.560 3.358 4.000 . 0 0 "[ . 1 .]" 1
53 1 40 CYS HB3 1 42 ASP H 3.000 . 3.500 2.330 1.761 3.497 0.039 15 0 "[ . 1 .]" 1
54 1 42 ASP H 1 42 ASP HB3 4.000 . 5.000 3.115 2.840 3.750 . 0 0 "[ . 1 .]" 1
55 1 59 LYS H 1 60 ILE H 3.000 . 3.500 2.602 2.468 2.940 . 0 0 "[ . 1 .]" 1
56 1 60 ILE H 1 62 GLU H 4.000 . 5.000 3.357 2.778 3.674 . 0 0 "[ . 1 .]" 1
57 1 58 CYS HA 1 60 ILE H 4.000 . 5.000 3.760 3.572 3.952 . 0 0 "[ . 1 .]" 1
58 1 60 ILE H 1 61 CYS HB3 4.000 . 5.000 5.024 4.853 5.106 0.106 2 0 "[ . 1 .]" 1
59 1 60 ILE H 1 60 ILE HB 3.000 . 3.500 2.669 2.510 2.794 . 0 0 "[ . 1 .]" 1
60 1 60 ILE H 1 60 ILE HG13 3.000 . 3.500 2.192 1.954 2.640 . 0 0 "[ . 1 .]" 1
61 1 42 ASP H 1 43 CYS H 3.000 . 3.500 2.470 2.261 2.614 . 0 0 "[ . 1 .]" 1
62 1 43 CYS H 1 44 ASN H 4.000 . 5.000 2.353 2.228 2.497 . 0 0 "[ . 1 .]" 1
63 1 43 CYS H 1 44 ASN HA 4.000 . 5.000 4.467 4.372 4.672 . 0 0 "[ . 1 .]" 1
64 1 43 CYS H 1 43 CYS HB3 4.000 . 5.000 2.689 2.582 2.835 . 0 0 "[ . 1 .]" 1
65 1 43 CYS H 1 43 CYS HB2 4.000 . 5.000 3.740 3.701 3.802 . 0 0 "[ . 1 .]" 1
66 1 39 LEU H 1 68 GLN HA 4.000 . 5.000 3.369 2.957 3.623 . 0 0 "[ . 1 .]" 1
67 1 39 LEU H 1 69 ALA HA 4.000 . 5.000 4.480 3.758 4.971 . 0 0 "[ . 1 .]" 1
68 1 39 LEU H 1 46 ARG HA 4.000 . 6.000 4.463 4.165 4.729 . 0 0 "[ . 1 .]" 1
69 1 39 LEU H 1 39 LEU HB3 3.000 . 3.500 2.925 2.694 3.490 . 0 0 "[ . 1 .]" 1
70 1 39 LEU H 1 69 ALA MB 4.000 . 5.000 3.112 2.489 3.717 . 0 0 "[ . 1 .]" 1
71 1 56 MET H 1 57 LYS H 4.000 . 5.000 4.520 4.264 4.611 . 0 0 "[ . 1 .]" 1
72 1 56 MET H 1 56 MET HG2 4.000 . 5.000 4.016 3.767 4.280 . 0 0 "[ . 1 .]" 1
73 1 56 MET H 1 56 MET HG3 4.000 . 5.000 3.325 2.483 4.050 . 0 0 "[ . 1 .]" 1
74 1 56 MET H 1 56 MET ME 4.000 . 5.000 2.900 2.417 3.458 . 0 0 "[ . 1 .]" 1
75 1 56 MET H 1 56 MET HB2 4.000 . 5.000 2.363 2.232 2.522 . 0 0 "[ . 1 .]" 1
76 1 56 MET H 1 56 MET HB3 4.000 . 5.000 3.595 3.513 3.700 . 0 0 "[ . 1 .]" 1
77 1 60 ILE H 1 61 CYS H 3.000 . 3.500 2.311 1.968 2.585 . 0 0 "[ . 1 .]" 1
78 1 59 LYS H 1 61 CYS H 4.000 . 5.000 4.509 4.361 4.701 . 0 0 "[ . 1 .]" 1
79 1 61 CYS H 1 62 GLU H 3.000 . 3.500 1.811 1.747 1.954 0.053 15 0 "[ . 1 .]" 1
80 1 61 CYS H 1 61 CYS HB3 4.000 . 5.000 3.156 3.059 3.270 . 0 0 "[ . 1 .]" 1
81 1 68 GLN H 1 68 GLN HB2 4.000 . 5.000 2.520 2.343 2.705 . 0 0 "[ . 1 .]" 1
82 1 39 LEU H 1 67 ALA H 3.000 . 3.500 3.104 2.677 3.380 . 0 0 "[ . 1 .]" 1
83 1 38 ILE HA 1 67 ALA H 4.000 . 5.000 4.644 4.005 5.107 0.107 1 0 "[ . 1 .]" 1
84 1 40 CYS HA 1 67 ALA H 4.000 . 5.000 3.605 3.445 3.779 . 0 0 "[ . 1 .]" 1
85 1 38 ILE HB 1 67 ALA H 4.000 . 5.000 3.961 3.657 4.240 . 0 0 "[ . 1 .]" 1
86 1 67 ALA H 1 67 ALA MB 3.000 . 3.500 2.444 2.345 2.571 . 0 0 "[ . 1 .]" 1
87 1 48 THR H 1 48 THR MG 4.000 . 5.000 3.817 3.766 3.852 . 0 0 "[ . 1 .]" 1
88 1 48 THR H 1 49 VAL MG1 4.000 . 5.000 3.880 3.648 4.141 . 0 0 "[ . 1 .]" 1
89 1 38 ILE MG 1 67 ALA H 4.000 . 5.000 4.522 4.075 4.936 . 0 0 "[ . 1 .]" 1
90 1 38 ILE MD 1 67 ALA H 4.000 . 5.000 5.075 4.865 5.161 0.161 6 0 "[ . 1 .]" 1
91 1 50 GLN H 1 51 PHE H 4.000 . 5.000 4.599 4.559 4.638 . 0 0 "[ . 1 .]" 1
92 1 50 GLN H 1 50 GLN QB 3.000 . 3.500 2.414 2.207 2.690 . 0 0 "[ . 1 .]" 1
93 1 36 VAL H 1 49 VAL H 4.000 . 5.000 3.311 2.993 3.755 . 0 0 "[ . 1 .]" 1
94 1 37 ASP HA 1 49 VAL H 4.000 . 5.000 3.344 3.045 3.568 . 0 0 "[ . 1 .]" 1
95 1 49 VAL H 1 49 VAL MG1 4.000 . 5.000 3.128 2.930 3.311 . 0 0 "[ . 1 .]" 1
96 1 49 VAL H 1 49 VAL MG2 3.000 . 3.500 2.215 2.098 2.344 . 0 0 "[ . 1 .]" 1
97 1 35 THR H 1 36 VAL H 4.000 . 5.000 4.395 4.208 4.491 . 0 0 "[ . 1 .]" 1
98 1 36 VAL H 1 50 GLN HA 4.000 . 5.000 3.421 2.986 3.714 . 0 0 "[ . 1 .]" 1
99 1 36 VAL H 1 36 VAL MG2 3.000 . 3.500 2.172 2.097 2.269 . 0 0 "[ . 1 .]" 1
100 1 36 VAL H 1 38 ILE MG 4.000 . 6.000 5.048 4.460 5.364 . 0 0 "[ . 1 .]" 1
101 1 36 VAL H 1 49 VAL MG2 4.000 . 6.000 3.804 3.474 4.146 . 0 0 "[ . 1 .]" 1
102 1 44 ASN H 1 44 ASN HB2 4.000 . 5.000 3.299 2.894 3.504 . 0 0 "[ . 1 .]" 1
103 1 44 ASN H 1 44 ASN HB3 4.000 . 5.000 3.963 3.536 4.083 . 0 0 "[ . 1 .]" 1
104 1 35 THR H 1 35 THR HB 4.000 . 5.000 3.651 3.567 3.805 . 0 0 "[ . 1 .]" 1
105 1 35 THR H 1 35 THR MG 4.000 . 5.000 2.944 2.740 3.361 . 0 0 "[ . 1 .]" 1
106 1 38 ILE H 1 48 THR HA 4.000 . 5.000 3.536 3.257 3.716 . 0 0 "[ . 1 .]" 1
107 1 38 ILE H 1 38 ILE QG 4.000 . 5.000 2.105 1.831 2.269 . 0 0 "[ . 1 .]" 1
108 1 38 ILE H 1 48 THR MG 4.000 . 5.000 4.950 4.646 5.113 0.113 2 0 "[ . 1 .]" 1
109 1 38 ILE H 1 38 ILE MG 4.000 . 5.000 3.130 2.933 3.374 . 0 0 "[ . 1 .]" 1
110 1 38 ILE H 1 38 ILE MD 4.000 . 5.000 3.654 2.805 3.934 . 0 0 "[ . 1 .]" 1
111 1 38 ILE H 1 47 SER H 4.000 . 5.000 2.676 2.207 3.115 . 0 0 "[ . 1 .]" 1
112 1 58 CYS H 1 63 SER H 4.000 . 5.000 3.797 3.315 4.147 . 0 0 "[ . 1 .]" 1
113 1 58 CYS HB2 1 63 SER H 4.000 . 5.000 4.523 3.722 5.051 0.051 3 0 "[ . 1 .]" 1
114 1 58 CYS HB3 1 63 SER H 4.000 . 5.000 2.816 2.078 3.345 . 0 0 "[ . 1 .]" 1
115 1 62 GLU H 1 63 SER H 4.000 . 5.000 2.666 2.536 2.932 . 0 0 "[ . 1 .]" 1
116 1 58 CYS HB2 1 62 GLU H 4.000 . 5.000 5.153 4.931 5.266 0.266 15 0 "[ . 1 .]" 1
117 1 62 GLU H 1 62 GLU HG2 4.000 . 5.000 3.299 2.933 4.535 . 0 0 "[ . 1 .]" 1
118 1 40 CYS H 1 45 GLY H 4.000 . 5.000 2.940 2.538 3.314 . 0 0 "[ . 1 .]" 1
119 1 44 ASN H 1 45 GLY H 4.000 . 5.000 2.955 2.741 3.398 . 0 0 "[ . 1 .]" 1
120 1 43 CYS HA 1 45 GLY H 4.000 . 6.000 4.964 4.587 6.011 0.011 6 0 "[ . 1 .]" 1
121 1 40 CYS HB2 1 45 GLY H 3.000 . 3.500 2.281 1.802 3.209 . 0 0 "[ . 1 .]" 1
122 1 40 CYS HB3 1 45 GLY H 4.000 . 5.000 3.142 2.233 4.072 . 0 0 "[ . 1 .]" 1
123 1 45 GLY H 1 60 ILE MD 4.000 . 5.000 3.973 3.384 4.506 . 0 0 "[ . 1 .]" 1
124 1 65 ASN H 1 66 THR H 4.000 . 5.000 4.016 3.158 4.181 . 0 0 "[ . 1 .]" 1
125 1 64 TYR HA 1 66 THR H 4.000 . 5.000 4.577 3.313 4.912 . 0 0 "[ . 1 .]" 1
126 1 41 ASN HB2 1 66 THR H 4.000 . 6.000 5.283 4.867 5.863 . 0 0 "[ . 1 .]" 1
127 1 66 THR H 1 66 THR MG 3.000 . 3.500 3.272 2.920 3.385 . 0 0 "[ . 1 .]" 1
128 1 40 CYS HA 1 66 THR H 4.000 . 6.000 4.755 4.526 5.142 . 0 0 "[ . 1 .]" 1
129 1 77 ASP H 1 77 ASP HB2 4.000 . 5.000 3.015 2.343 3.911 . 0 0 "[ . 1 .]" 1
130 1 77 ASP H 1 77 ASP HB3 4.000 . 5.000 2.955 2.476 3.632 . 0 0 "[ . 1 .]" 1
131 1 77 ASP H 1 78 GLN QB 4.000 . 5.000 4.512 3.616 5.022 0.022 13 0 "[ . 1 .]" 1
132 1 57 LYS H 1 58 CYS H 4.000 . 5.000 4.316 4.222 4.434 . 0 0 "[ . 1 .]" 1
133 1 58 CYS H 1 64 TYR HA 4.000 . 5.000 3.501 2.975 4.166 . 0 0 "[ . 1 .]" 1
134 1 58 CYS H 1 62 GLU HA 4.000 . 5.000 4.137 3.515 4.547 . 0 0 "[ . 1 .]" 1
135 1 58 CYS H 1 63 SER QB 4.000 . 6.000 4.800 4.380 5.242 . 0 0 "[ . 1 .]" 1
136 1 58 CYS H 1 58 CYS HB2 4.000 . 5.000 2.786 2.618 2.974 . 0 0 "[ . 1 .]" 1
137 1 58 CYS H 1 58 CYS HB3 4.000 . 5.000 2.209 2.051 2.400 . 0 0 "[ . 1 .]" 1
138 1 58 CYS H 1 66 THR MG 4.000 . 5.000 3.477 3.115 3.822 . 0 0 "[ . 1 .]" 1
139 1 68 GLN HA 1 69 ALA H 3.000 . 3.500 2.133 2.082 2.253 . 0 0 "[ . 1 .]" 1
140 1 68 GLN HB3 1 69 ALA H 4.000 . 5.000 3.993 2.791 4.305 . 0 0 "[ . 1 .]" 1
141 1 68 GLN HB2 1 69 ALA H 4.000 . 5.000 4.287 3.960 4.476 . 0 0 "[ . 1 .]" 1
142 1 68 GLN HG3 1 69 ALA H 4.000 . 5.000 3.687 3.042 5.031 0.031 10 0 "[ . 1 .]" 1
143 1 68 GLN HG2 1 69 ALA H 4.000 . 5.000 3.422 2.822 4.269 . 0 0 "[ . 1 .]" 1
144 1 58 CYS HA 1 59 LYS H 3.000 . 3.500 2.185 2.127 2.244 . 0 0 "[ . 1 .]" 1
145 1 39 LEU HA 1 40 CYS H 3.000 . 3.500 2.144 2.096 2.317 . 0 0 "[ . 1 .]" 1
146 1 39 LEU HB2 1 40 CYS H 4.000 . 5.000 4.414 4.206 4.532 . 0 0 "[ . 1 .]" 1
147 1 40 CYS HA 1 41 ASN H 3.000 . 3.500 2.149 2.084 2.222 . 0 0 "[ . 1 .]" 1
148 1 40 CYS HB3 1 41 ASN H 4.000 . 5.000 3.149 2.788 3.554 . 0 0 "[ . 1 .]" 1
149 1 40 CYS HB2 1 41 ASN H 4.000 . 6.000 4.181 4.038 4.291 . 0 0 "[ . 1 .]" 1
150 1 51 PHE HA 1 52 HIS H 3.000 . 3.500 2.083 2.033 2.164 . 0 0 "[ . 1 .]" 1
151 1 51 PHE HB2 1 52 HIS H 4.000 . 5.000 4.312 4.134 4.469 . 0 0 "[ . 1 .]" 1
152 1 50 GLN HA 1 51 PHE H 3.000 . 3.500 2.261 2.158 2.355 . 0 0 "[ . 1 .]" 1
153 1 50 GLN QB 1 51 PHE H 4.000 . 5.000 2.899 2.581 3.689 . 0 0 "[ . 1 .]" 1
154 1 50 GLN QG 1 51 PHE H 4.000 . 5.000 3.653 2.352 4.354 . 0 0 "[ . 1 .]" 1
155 1 45 GLY HA3 1 46 ARG H 3.000 . 3.500 2.988 2.872 3.138 . 0 0 "[ . 1 .]" 1
156 1 45 GLY HA2 1 46 ARG H 3.000 . 3.500 2.203 2.118 2.295 . 0 0 "[ . 1 .]" 1
157 1 56 MET HA 1 57 LYS H 3.000 . 3.500 2.199 2.109 2.561 . 0 0 "[ . 1 .]" 1
158 1 56 MET HB3 1 57 LYS H 4.000 . 5.000 3.086 2.161 3.655 . 0 0 "[ . 1 .]" 1
159 1 56 MET HB2 1 57 LYS H 4.000 . 5.000 4.156 3.553 4.426 . 0 0 "[ . 1 .]" 1
160 1 56 MET HG3 1 57 LYS H 4.000 . 5.000 4.332 3.706 5.006 0.006 15 0 "[ . 1 .]" 1
161 1 56 MET HG2 1 57 LYS H 4.000 . 5.000 4.585 3.967 5.033 0.033 11 0 "[ . 1 .]" 1
162 1 64 TYR QB 1 65 ASN H 4.000 . 5.000 3.596 3.158 3.955 . 0 0 "[ . 1 .]" 1
163 1 73 ARG QB 1 74 ILE H 4.000 . 5.000 3.819 2.728 4.020 . 0 0 "[ . 1 .]" 1
164 1 36 VAL HA 1 37 ASP H 3.000 . 3.500 2.261 2.195 2.351 . 0 0 "[ . 1 .]" 1
165 1 36 VAL HB 1 37 ASP H 3.000 . 3.500 2.797 2.512 3.004 . 0 0 "[ . 1 .]" 1
166 1 74 ILE H 1 74 ILE MG 4.000 . 5.000 3.062 1.825 3.913 . 0 0 "[ . 1 .]" 1
167 1 41 ASN HB3 1 42 ASP H 4.000 . 5.000 4.155 3.875 4.410 . 0 0 "[ . 1 .]" 1
168 1 41 ASN HB2 1 42 ASP H 4.000 . 5.000 3.299 3.015 3.888 . 0 0 "[ . 1 .]" 1
169 1 42 ASP H 1 42 ASP HB2 4.000 . 5.000 3.594 2.580 3.766 . 0 0 "[ . 1 .]" 1
170 1 59 LYS HB3 1 60 ILE H 4.000 . 5.000 4.196 3.780 4.397 . 0 0 "[ . 1 .]" 1
171 1 59 LYS HB2 1 60 ILE H 4.000 . 5.000 3.658 3.249 4.483 . 0 0 "[ . 1 .]" 1
172 1 40 CYS HB3 1 43 CYS H 4.000 . 5.000 2.126 1.793 2.662 0.007 11 0 "[ . 1 .]" 1
173 1 38 ILE HA 1 39 LEU H 3.000 . 3.500 2.172 2.103 2.266 . 0 0 "[ . 1 .]" 1
174 1 38 ILE HB 1 39 LEU H 3.000 . 3.500 3.062 2.769 3.268 . 0 0 "[ . 1 .]" 1
175 1 39 LEU H 1 39 LEU HB2 4.000 . 5.000 2.509 2.311 2.594 . 0 0 "[ . 1 .]" 1
176 1 38 ILE QG 1 39 LEU H 4.000 . 5.000 4.302 3.983 4.633 . 0 0 "[ . 1 .]" 1
177 1 39 LEU H 1 67 ALA MB 4.000 . 6.000 3.852 3.654 4.091 . 0 0 "[ . 1 .]" 1
178 1 38 ILE MD 1 39 LEU H 4.000 . 5.000 4.607 4.098 4.828 . 0 0 "[ . 1 .]" 1
179 1 55 GLY QA 1 56 MET H 3.000 . 3.500 2.101 2.076 2.125 . 0 0 "[ . 1 .]" 1
180 1 60 ILE HB 1 61 CYS H 3.000 . 3.500 2.855 2.656 3.025 . 0 0 "[ . 1 .]" 1
181 1 68 GLN H 1 68 GLN HB3 4.000 . 5.000 2.796 2.484 3.624 . 0 0 "[ . 1 .]" 1
182 1 60 ILE HG12 1 61 CYS H 4.000 . 6.000 5.036 4.912 5.126 . 0 0 "[ . 1 .]" 1
183 1 60 ILE HG13 1 61 CYS H 4.000 . 5.000 4.093 3.882 4.279 . 0 0 "[ . 1 .]" 1
184 1 60 ILE MG 1 61 CYS H 4.000 . 5.000 3.817 3.534 4.004 . 0 0 "[ . 1 .]" 1
185 1 47 SER HA 1 48 THR H 3.000 . 3.500 2.202 2.156 2.255 . 0 0 "[ . 1 .]" 1
186 1 47 SER HB3 1 48 THR H 4.000 . 5.000 3.370 3.015 3.587 . 0 0 "[ . 1 .]" 1
187 1 48 THR H 1 48 THR HB 3.000 . 3.500 2.723 2.608 2.835 . 0 0 "[ . 1 .]" 1
188 1 66 THR HA 1 67 ALA H 3.000 . 3.500 2.272 2.170 2.469 . 0 0 "[ . 1 .]" 1
189 1 66 THR HB 1 67 ALA H 3.000 . 3.500 2.519 2.052 2.918 . 0 0 "[ . 1 .]" 1
190 1 66 THR MG 1 67 ALA H 4.000 . 5.000 3.472 3.320 3.664 . 0 0 "[ . 1 .]" 1
191 1 49 VAL HA 1 50 GLN H 3.000 . 3.500 2.496 2.373 2.571 . 0 0 "[ . 1 .]" 1
192 1 49 VAL HB 1 50 GLN H 3.000 . 3.500 2.242 2.061 2.568 . 0 0 "[ . 1 .]" 1
193 1 49 VAL MG1 1 50 GLN H 4.000 . 5.000 3.518 3.373 3.650 . 0 0 "[ . 1 .]" 1
194 1 49 VAL MG2 1 50 GLN H 4.000 . 5.000 3.411 3.247 3.646 . 0 0 "[ . 1 .]" 1
195 1 48 THR HA 1 49 VAL H 3.000 . 3.500 2.099 2.060 2.146 . 0 0 "[ . 1 .]" 1
196 1 48 THR HB 1 49 VAL H 4.000 . 5.000 4.218 4.144 4.278 . 0 0 "[ . 1 .]" 1
197 1 48 THR MG 1 49 VAL H 3.000 . 3.500 3.070 3.004 3.171 . 0 0 "[ . 1 .]" 1
198 1 35 THR HA 1 36 VAL H 3.000 . 3.500 2.105 2.054 2.172 . 0 0 "[ . 1 .]" 1
199 1 35 THR HB 1 36 VAL H 3.000 . 3.500 3.258 2.816 3.377 . 0 0 "[ . 1 .]" 1
200 1 35 THR MG 1 36 VAL H 4.000 . 5.000 3.678 3.512 3.883 . 0 0 "[ . 1 .]" 1
201 1 43 CYS HB2 1 44 ASN H 4.000 . 5.000 4.455 4.378 4.492 . 0 0 "[ . 1 .]" 1
202 1 43 CYS HB3 1 44 ASN H 4.000 . 5.000 4.292 4.195 4.403 . 0 0 "[ . 1 .]" 1
203 1 34 MET HA 1 35 THR H 3.000 . 3.500 2.163 2.097 2.238 . 0 0 "[ . 1 .]" 1
204 1 34 MET HB3 1 35 THR H 4.000 . 5.000 4.319 4.156 4.485 . 0 0 "[ . 1 .]" 1
205 1 34 MET HB2 1 35 THR H 4.000 . 5.000 4.258 3.151 4.560 . 0 0 "[ . 1 .]" 1
206 1 34 MET HG3 1 35 THR H 4.000 . 5.000 3.957 3.363 5.066 0.066 4 0 "[ . 1 .]" 1
207 1 34 MET HG2 1 35 THR H 4.000 . 5.000 3.832 3.198 5.104 0.104 3 0 "[ . 1 .]" 1
208 1 37 ASP HA 1 38 ILE H 3.000 . 3.500 2.122 2.069 2.173 . 0 0 "[ . 1 .]" 1
209 1 37 ASP QB 1 38 ILE H 4.000 . 5.000 3.511 3.049 3.809 . 0 0 "[ . 1 .]" 1
210 1 46 ARG HA 1 47 SER H 3.000 . 3.500 2.236 2.139 2.277 . 0 0 "[ . 1 .]" 1
211 1 46 ARG HB2 1 47 SER H 4.000 . 5.000 2.671 2.476 2.854 . 0 0 "[ . 1 .]" 1
212 1 46 ARG HB3 1 47 SER H 4.000 . 5.000 3.845 3.641 4.013 . 0 0 "[ . 1 .]" 1
213 1 38 ILE QG 1 47 SER H 3.000 . 3.500 2.839 2.487 3.539 0.039 5 0 "[ . 1 .]" 1
214 1 46 ARG QD 1 47 SER H 4.000 . 6.000 4.685 4.235 5.069 . 0 0 "[ . 1 .]" 1
215 1 62 GLU HA 1 63 SER H 4.000 . 5.000 2.927 2.582 3.051 . 0 0 "[ . 1 .]" 1
216 1 61 CYS HB2 1 62 GLU H 4.000 . 5.000 4.337 4.248 4.453 . 0 0 "[ . 1 .]" 1
217 1 61 CYS HB3 1 62 GLU H 4.000 . 5.000 4.294 4.214 4.443 . 0 0 "[ . 1 .]" 1
218 1 44 ASN HB3 1 45 GLY H 4.000 . 5.000 4.365 4.044 4.483 . 0 0 "[ . 1 .]" 1
219 1 44 ASN HB2 1 45 GLY H 4.000 . 5.000 4.323 4.177 4.619 . 0 0 "[ . 1 .]" 1
220 1 65 ASN HA 1 66 THR H 3.000 . 3.500 2.245 2.161 2.758 . 0 0 "[ . 1 .]" 1
221 1 65 ASN HB3 1 66 THR H 4.000 . 5.000 4.453 4.374 4.597 . 0 0 "[ . 1 .]" 1
222 1 65 ASN HB2 1 66 THR H 4.000 . 5.000 4.542 4.477 4.629 . 0 0 "[ . 1 .]" 1
223 1 54 LEU HB3 1 55 GLY H 4.000 . 5.000 4.358 4.215 4.478 . 0 0 "[ . 1 .]" 1
224 1 54 LEU HB2 1 55 GLY H 4.000 . 5.000 3.935 3.450 4.264 . 0 0 "[ . 1 .]" 1
225 1 76 LEU QB 1 77 ASP H 4.000 . 5.000 3.642 2.295 3.945 . 0 0 "[ . 1 .]" 1
226 1 76 LEU MD1 1 77 ASP H 4.000 . 5.000 3.649 2.485 5.036 0.036 4 0 "[ . 1 .]" 1
227 1 67 ALA HA 1 68 GLN H 3.000 . 3.500 2.319 2.120 2.668 . 0 0 "[ . 1 .]" 1
228 1 67 ALA MB 1 68 GLN H 4.000 . 5.000 2.834 2.232 3.251 . 0 0 "[ . 1 .]" 1
229 1 57 LYS HA 1 58 CYS H 3.000 . 3.500 2.113 2.063 2.178 . 0 0 "[ . 1 .]" 1
230 1 57 LYS HG3 1 58 CYS H 4.000 . 5.000 3.496 2.822 4.053 . 0 0 "[ . 1 .]" 1
231 1 57 LYS HG2 1 58 CYS H 4.000 . 5.000 3.677 3.030 5.033 0.033 5 0 "[ . 1 .]" 1
232 1 41 ASN HB3 1 41 ASN HD22 4.000 . 5.000 3.664 3.445 3.824 . 0 0 "[ . 1 .]" 1
233 1 41 ASN HD21 1 67 ALA MB 4.000 . 5.000 4.387 3.727 5.090 0.090 12 0 "[ . 1 .]" 1
234 1 41 ASN HD22 1 67 ALA MB 4.000 . 5.000 2.940 2.271 3.747 . 0 0 "[ . 1 .]" 1
235 1 36 VAL MG1 1 68 GLN HE21 4.000 . 6.000 2.651 1.790 3.711 0.010 13 0 "[ . 1 .]" 1
236 1 36 VAL MG2 1 68 GLN HE21 4.000 . 6.000 3.102 2.012 4.243 . 0 0 "[ . 1 .]" 1
237 1 68 GLN HA 1 68 GLN HE21 4.000 . 5.000 4.691 3.855 5.043 0.043 2 0 "[ . 1 .]" 1
238 1 35 THR MG 1 49 VAL H 4.000 . 5.000 4.343 3.927 4.710 . 0 0 "[ . 1 .]" 1
239 1 35 THR MG 1 51 PHE H 4.000 . 5.000 4.401 4.076 4.789 . 0 0 "[ . 1 .]" 1
240 1 38 ILE H 1 38 ILE HB 4.000 . 5.000 3.735 3.653 3.791 . 0 0 "[ . 1 .]" 1
241 1 38 ILE H 1 49 VAL H 4.000 . 5.000 4.189 3.839 4.401 . 0 0 "[ . 1 .]" 1
242 1 38 ILE H 1 39 LEU HA 4.000 . 6.000 4.855 4.686 4.985 . 0 0 "[ . 1 .]" 1
243 1 38 ILE H 1 47 SER HA 4.000 . 6.000 4.743 4.426 4.959 . 0 0 "[ . 1 .]" 1
244 1 39 LEU HA 1 45 GLY H 4.000 . 5.000 4.501 3.691 5.027 0.027 1 0 "[ . 1 .]" 1
245 1 39 LEU H 1 69 ALA H 4.000 . 5.000 3.247 2.761 4.124 . 0 0 "[ . 1 .]" 1
246 1 39 LEU H 1 40 CYS H 4.000 . 5.000 4.355 4.278 4.494 . 0 0 "[ . 1 .]" 1
247 1 40 CYS H 1 67 ALA H 4.000 . 5.000 4.799 4.614 5.014 0.014 5 0 "[ . 1 .]" 1
248 1 41 ASN H 1 41 ASN HD21 4.000 . 5.000 4.152 3.632 4.915 . 0 0 "[ . 1 .]" 1
249 1 44 ASN H 1 44 ASN QD 4.000 . 5.000 4.070 3.045 4.918 . 0 0 "[ . 1 .]" 1
250 1 47 SER H 1 48 THR H 4.000 . 6.000 4.207 4.089 4.359 . 0 0 "[ . 1 .]" 1
251 1 48 THR H 1 49 VAL H 4.000 . 5.000 4.289 4.235 4.341 . 0 0 "[ . 1 .]" 1
252 1 36 VAL H 1 51 PHE H 4.000 . 5.000 3.982 3.491 4.570 . 0 0 "[ . 1 .]" 1
253 1 55 GLY H 1 56 MET H 4.000 . 5.000 3.690 3.408 3.958 . 0 0 "[ . 1 .]" 1
254 1 55 GLY H 1 56 MET HA 4.000 . 5.000 4.773 4.451 4.988 . 0 0 "[ . 1 .]" 1
255 1 59 LYS HA 1 61 CYS H 4.000 . 5.000 4.177 3.856 4.643 . 0 0 "[ . 1 .]" 1
256 1 59 LYS H 1 59 LYS HB3 4.000 . 5.000 3.507 2.627 3.643 . 0 0 "[ . 1 .]" 1
257 1 58 CYS H 1 59 LYS H 4.000 . 5.000 4.536 4.441 4.628 . 0 0 "[ . 1 .]" 1
258 1 61 CYS H 1 63 SER H 4.000 . 5.000 3.561 3.446 3.821 . 0 0 "[ . 1 .]" 1
259 1 39 LEU H 1 66 THR MG 4.000 . 6.000 4.128 3.912 4.427 . 0 0 "[ . 1 .]" 1
260 1 39 LEU H 1 67 ALA HA 4.000 . 5.000 4.825 4.693 4.912 . 0 0 "[ . 1 .]" 1
261 1 41 ASN H 1 67 ALA H 4.000 . 5.000 4.278 4.035 4.579 . 0 0 "[ . 1 .]" 1
262 1 40 CYS H 1 46 ARG H 4.000 . 5.000 4.681 4.444 4.860 . 0 0 "[ . 1 .]" 1
263 1 37 ASP H 1 48 THR HA 4.000 . 5.000 4.355 3.829 4.639 . 0 0 "[ . 1 .]" 1
264 1 68 GLN HA 1 69 ALA MB 4.000 . 5.000 3.941 3.799 3.989 . 0 0 "[ . 1 .]" 1
265 1 36 VAL MG2 1 68 GLN HA 4.000 . 5.000 4.803 4.160 5.066 0.066 15 0 "[ . 1 .]" 1
266 1 38 ILE HB 1 68 GLN HA 4.000 . 5.000 3.835 3.329 4.488 . 0 0 "[ . 1 .]" 1
267 1 67 ALA MB 1 68 GLN HA 4.000 . 5.000 4.401 4.128 4.642 . 0 0 "[ . 1 .]" 1
268 1 36 VAL MG2 1 68 GLN HG3 4.000 . 5.000 3.713 2.534 4.899 . 0 0 "[ . 1 .]" 1
269 1 38 ILE MG 1 68 GLN HG3 4.000 . 5.000 2.944 2.295 3.871 . 0 0 "[ . 1 .]" 1
270 1 58 CYS HA 1 66 THR MG 4.000 . 5.000 3.963 3.244 4.322 . 0 0 "[ . 1 .]" 1
271 1 49 VAL MG2 1 58 CYS HA 4.000 . 6.000 4.156 3.541 4.911 . 0 0 "[ . 1 .]" 1
272 1 58 CYS HB3 1 62 GLU HA 4.000 . 6.000 4.264 3.567 4.584 . 0 0 "[ . 1 .]" 1
273 1 58 CYS HB2 1 62 GLU HA 4.000 . 6.000 5.775 5.210 6.021 0.021 7 0 "[ . 1 .]" 1
274 1 58 CYS HB3 1 62 GLU H 4.000 . 5.000 3.725 3.366 3.956 . 0 0 "[ . 1 .]" 1
275 1 58 CYS HB2 1 66 THR MG 4.000 . 5.000 2.468 1.849 2.821 . 0 0 "[ . 1 .]" 1
276 1 39 LEU HA 1 66 THR MG 4.000 . 5.000 3.964 3.709 4.392 . 0 0 "[ . 1 .]" 1
277 1 39 LEU HB3 1 69 ALA HA 4.000 . 5.000 4.632 3.730 5.090 0.090 7 0 "[ . 1 .]" 1
278 1 39 LEU H 1 39 LEU HG 4.000 . 6.000 4.392 3.629 4.525 . 0 0 "[ . 1 .]" 1
279 1 39 LEU MD1 1 46 ARG QD 4.000 . 5.000 3.113 2.038 5.028 0.028 5 0 "[ . 1 .]" 1
280 1 39 LEU MD1 1 46 ARG HB3 4.000 . 5.000 2.945 2.110 3.761 . 0 0 "[ . 1 .]" 1
281 1 39 LEU MD2 1 46 ARG HB3 4.000 . 5.000 3.429 2.270 3.938 . 0 0 "[ . 1 .]" 1
282 1 40 CYS HB3 1 66 THR MG 4.000 . 5.000 3.900 3.770 4.116 . 0 0 "[ . 1 .]" 1
283 1 40 CYS HB2 1 66 THR MG 4.000 . 5.000 3.484 2.841 3.766 . 0 0 "[ . 1 .]" 1
284 1 40 CYS HB2 1 44 ASN H 4.000 . 6.000 3.261 2.643 4.061 . 0 0 "[ . 1 .]" 1
285 1 51 PHE HA 1 51 PHE HD1 4.000 . 5.000 2.615 2.482 2.802 . 0 0 "[ . 1 .]" 1
286 1 50 GLN QB 1 51 PHE HB3 4.000 . 6.000 4.760 4.497 5.602 . 0 0 "[ . 1 .]" 1
287 1 36 VAL HB 1 51 PHE HB2 4.000 . 6.000 5.024 4.398 5.773 . 0 0 "[ . 1 .]" 1
288 1 50 GLN QB 1 51 PHE HB2 4.000 . 6.000 5.224 4.908 5.900 . 0 0 "[ . 1 .]" 1
289 1 36 VAL MG1 1 51 PHE HB3 4.000 . 5.000 4.175 3.513 4.918 . 0 0 "[ . 1 .]" 1
290 1 36 VAL MG2 1 51 PHE HB3 4.000 . 5.000 4.063 3.733 4.643 . 0 0 "[ . 1 .]" 1
291 1 35 THR HA 1 50 GLN HA 3.000 . 3.500 2.267 2.014 2.537 . 0 0 "[ . 1 .]" 1
292 1 50 GLN H 1 50 GLN QG 4.000 . 5.000 2.760 1.934 3.986 . 0 0 "[ . 1 .]" 1
293 1 35 THR MG 1 50 GLN QG 4.000 . 5.000 3.167 2.203 4.688 . 0 0 "[ . 1 .]" 1
294 1 44 ASN H 1 45 GLY HA3 4.000 . 6.000 5.155 4.989 5.254 . 0 0 "[ . 1 .]" 1
295 1 38 ILE MD 1 56 MET HA 4.000 . 5.000 4.089 3.793 4.717 . 0 0 "[ . 1 .]" 1
296 1 49 VAL MG1 1 56 MET HB3 4.000 . 6.000 4.219 3.535 5.032 . 0 0 "[ . 1 .]" 1
297 1 56 MET HB3 1 66 THR MG 4.000 . 6.000 4.943 3.914 5.715 . 0 0 "[ . 1 .]" 1
298 1 36 VAL MG2 1 56 MET HG3 4.000 . 6.000 3.963 3.173 4.700 . 0 0 "[ . 1 .]" 1
299 1 36 VAL MG2 1 56 MET HG2 4.000 . 6.000 3.034 2.221 4.163 . 0 0 "[ . 1 .]" 1
300 1 72 ARG H 1 72 ARG QG 4.000 . 5.000 3.126 1.954 4.242 . 0 0 "[ . 1 .]" 1
301 1 73 ARG QD 1 74 ILE HA 4.000 . 5.000 4.214 3.500 5.200 0.200 1 0 "[ . 1 .]" 1
302 1 46 ARG H 1 46 ARG QD 4.000 . 5.000 4.012 3.761 4.387 . 0 0 "[ . 1 .]" 1
303 1 39 LEU HG 1 46 ARG QD 4.000 . 5.000 3.585 2.654 4.462 . 0 0 "[ . 1 .]" 1
304 1 39 LEU MD2 1 46 ARG QD 4.000 . 5.000 4.541 3.720 5.036 0.036 15 0 "[ . 1 .]" 1
305 1 73 ARG QD 1 74 ILE MG 4.000 . 6.000 4.929 3.628 6.021 0.021 1 0 "[ . 1 .]" 1
306 1 34 MET ME 1 36 VAL HB 4.000 . 5.000 4.728 4.380 5.036 0.036 1 0 "[ . 1 .]" 1
307 1 36 VAL HB 1 38 ILE MG 4.000 . 5.000 3.538 3.263 3.829 . 0 0 "[ . 1 .]" 1
308 1 36 VAL MG1 1 68 GLN HE22 4.000 . 5.000 2.813 2.544 3.662 . 0 0 "[ . 1 .]" 1
309 1 36 VAL H 1 36 VAL MG1 4.000 . 5.000 2.987 2.815 3.345 . 0 0 "[ . 1 .]" 1
310 1 36 VAL MG1 1 51 PHE HB2 4.000 . 5.000 2.805 2.125 3.458 . 0 0 "[ . 1 .]" 1
311 1 35 THR HA 1 36 VAL MG2 4.000 . 5.000 3.617 3.388 3.802 . 0 0 "[ . 1 .]" 1
312 1 36 VAL MG2 1 51 PHE HA 4.000 . 5.000 2.710 2.359 3.255 . 0 0 "[ . 1 .]" 1
313 1 36 VAL MG2 1 51 PHE HD1 4.000 . 5.000 2.259 1.777 2.919 0.023 1 0 "[ . 1 .]" 1
314 1 36 VAL MG2 1 51 PHE H 4.000 . 5.000 3.482 3.166 3.914 . 0 0 "[ . 1 .]" 1
315 1 36 VAL MG2 1 51 PHE HB2 4.000 . 5.000 2.663 2.357 3.221 . 0 0 "[ . 1 .]" 1
316 1 36 VAL MG2 1 68 GLN HG2 4.000 . 5.000 4.518 3.136 5.081 0.081 5 0 "[ . 1 .]" 1
317 1 36 VAL MG2 1 56 MET ME 3.000 . 3.500 2.846 2.203 3.573 0.073 13 0 "[ . 1 .]" 1
318 1 39 LEU HB3 1 41 ASN HA 4.000 . 6.000 5.794 5.287 6.067 0.067 14 0 "[ . 1 .]" 1
319 1 49 VAL MG1 1 59 LYS HA 4.000 . 6.000 4.826 4.368 5.802 . 0 0 "[ . 1 .]" 1
320 1 49 VAL MG1 1 59 LYS HB3 4.000 . 6.000 4.853 3.711 5.713 . 0 0 "[ . 1 .]" 1
321 1 49 VAL MG1 1 59 LYS HB2 4.000 . 6.000 4.095 2.664 4.998 . 0 0 "[ . 1 .]" 1
322 1 49 VAL MG1 1 59 LYS HG2 4.000 . 5.000 3.547 2.334 5.010 0.010 10 0 "[ . 1 .]" 1
323 1 49 VAL MG1 1 59 LYS HG3 4.000 . 5.000 3.119 2.368 4.826 . 0 0 "[ . 1 .]" 1
324 1 38 ILE QG 1 47 SER HB3 4.000 . 6.000 4.243 3.746 4.996 . 0 0 "[ . 1 .]" 1
325 1 38 ILE QG 1 58 CYS HA 4.000 . 6.000 3.958 3.378 4.847 . 0 0 "[ . 1 .]" 1
326 1 47 SER HB2 1 59 LYS QD 4.000 . 6.000 5.309 4.105 6.031 0.031 11 0 "[ . 1 .]" 1
327 1 49 VAL MG1 1 59 LYS QE 4.000 . 5.000 2.862 1.822 4.664 . 0 0 "[ . 1 .]" 1
328 1 42 ASP HA 1 43 CYS HB3 4.000 . 6.000 5.498 5.428 5.622 . 0 0 "[ . 1 .]" 1
329 1 38 ILE HA 1 68 GLN HA 3.000 . 3.500 2.293 1.762 2.706 0.038 9 0 "[ . 1 .]" 1
330 1 38 ILE HA 1 69 ALA MB 4.000 . 5.000 3.332 2.596 3.687 . 0 0 "[ . 1 .]" 1
331 1 36 VAL MG2 1 38 ILE HA 4.000 . 5.000 4.818 4.513 5.042 0.042 7 0 "[ . 1 .]" 1
332 1 38 ILE HB 1 66 THR MG 4.000 . 5.000 2.830 2.332 3.438 . 0 0 "[ . 1 .]" 1
333 1 38 ILE MG 1 68 GLN HA 3.000 . 3.500 2.183 1.734 2.792 0.066 13 0 "[ . 1 .]" 1
334 1 38 ILE MG 1 56 MET H 4.000 . 6.000 4.531 3.942 5.490 . 0 0 "[ . 1 .]" 1
335 1 38 ILE MG 1 66 THR HB 4.000 . 5.000 3.339 2.996 3.685 . 0 0 "[ . 1 .]" 1
336 1 38 ILE MG 1 56 MET HB2 3.000 . 3.500 2.648 2.071 3.454 . 0 0 "[ . 1 .]" 1
337 1 38 ILE MG 1 56 MET HB3 4.000 . 5.000 3.151 2.779 3.589 . 0 0 "[ . 1 .]" 1
338 1 49 VAL MG2 1 56 MET HB3 4.000 . 5.000 2.172 1.814 2.755 . 0 0 "[ . 1 .]" 1
339 1 38 ILE MG 1 68 GLN HG2 4.000 . 5.000 3.792 2.212 4.370 . 0 0 "[ . 1 .]" 1
340 1 38 ILE MD 1 58 CYS HA 4.000 . 5.000 2.761 2.396 3.508 . 0 0 "[ . 1 .]" 1
341 1 38 ILE MD 1 56 MET HB2 4.000 . 5.000 2.502 2.066 3.122 . 0 0 "[ . 1 .]" 1
342 1 38 ILE MD 1 56 MET HB3 4.000 . 5.000 2.229 1.815 2.796 . 0 0 "[ . 1 .]" 1
343 1 38 ILE MD 1 66 THR MG 3.000 . 3.500 1.770 1.659 1.982 0.141 2 0 "[ . 1 .]" 1
344 1 39 LEU HG 1 46 ARG HB3 4.000 . 5.000 2.000 1.722 2.578 0.078 4 0 "[ . 1 .]" 1
345 1 46 ARG HB3 1 69 ALA MB 4.000 . 6.000 3.610 2.925 4.310 . 0 0 "[ . 1 .]" 1
346 1 55 GLY QA 1 64 TYR QD 4.000 . 5.000 3.114 2.182 4.460 . 0 0 "[ . 1 .]" 1
347 1 37 ASP QB 1 46 ARG HB2 4.000 . 5.000 3.829 2.348 4.731 . 0 0 "[ . 1 .]" 1
348 1 60 ILE HB 1 61 CYS HB2 4.000 . 6.000 5.168 5.027 5.329 . 0 0 "[ . 1 .]" 1
349 1 60 ILE H 1 60 ILE HG12 4.000 . 5.000 3.501 3.223 3.874 . 0 0 "[ . 1 .]" 1
350 1 60 ILE H 1 60 ILE MG 4.000 . 5.000 3.824 3.778 3.922 . 0 0 "[ . 1 .]" 1
351 1 53 ILE MG 1 55 GLY H 4.000 . 6.000 4.579 4.388 4.781 . 0 0 "[ . 1 .]" 1
352 1 60 ILE MG 1 61 CYS HA 4.000 . 5.000 4.075 3.703 4.304 . 0 0 "[ . 1 .]" 1
353 1 53 ILE MG 1 54 LEU HA 4.000 . 5.000 3.626 3.283 4.012 . 0 0 "[ . 1 .]" 1
354 1 60 ILE MG 1 61 CYS HB3 4.000 . 5.000 3.368 2.673 3.711 . 0 0 "[ . 1 .]" 1
355 1 60 ILE MG 1 61 CYS HB2 4.000 . 5.000 4.815 4.175 5.066 0.066 7 0 "[ . 1 .]" 1
356 1 45 GLY HA3 1 60 ILE MD 3.000 . 3.500 2.305 1.981 2.743 . 0 0 "[ . 1 .]" 1
357 1 45 GLY HA2 1 60 ILE MD 4.000 . 5.000 3.452 3.029 3.888 . 0 0 "[ . 1 .]" 1
358 1 60 ILE H 1 60 ILE MD 4.000 . 5.000 3.597 3.334 3.912 . 0 0 "[ . 1 .]" 1
359 1 47 SER HB3 1 49 VAL MG1 4.000 . 5.000 2.513 2.220 3.025 . 0 0 "[ . 1 .]" 1
360 1 47 SER HB3 1 59 LYS QD 4.000 . 6.000 4.038 2.830 5.067 . 0 0 "[ . 1 .]" 1
361 1 38 ILE QG 1 47 SER HB2 4.000 . 6.000 2.854 2.256 3.794 . 0 0 "[ . 1 .]" 1
362 1 38 ILE MD 1 47 SER HB3 4.000 . 5.000 4.145 3.477 4.830 . 0 0 "[ . 1 .]" 1
363 1 38 ILE MD 1 47 SER HB2 4.000 . 5.000 2.844 2.120 3.477 . 0 0 "[ . 1 .]" 1
364 1 41 ASN H 1 66 THR HB 4.000 . 5.000 5.060 4.955 5.176 0.176 6 0 "[ . 1 .]" 1
365 1 40 CYS HA 1 66 THR HA 4.000 . 5.000 2.183 1.963 2.440 . 0 0 "[ . 1 .]" 1
366 1 41 ASN HB2 1 66 THR HA 4.000 . 5.000 4.355 3.978 4.680 . 0 0 "[ . 1 .]" 1
367 1 38 ILE HB 1 66 THR HB 4.000 . 5.000 2.059 1.864 2.449 . 0 0 "[ . 1 .]" 1
368 1 38 ILE MD 1 66 THR HB 4.000 . 5.000 2.931 2.559 3.323 . 0 0 "[ . 1 .]" 1
369 1 64 TYR HA 1 66 THR MG 4.000 . 5.000 3.433 2.957 4.039 . 0 0 "[ . 1 .]" 1
370 1 40 CYS HA 1 66 THR MG 4.000 . 5.000 1.884 1.752 2.134 0.048 9 0 "[ . 1 .]" 1
371 1 58 CYS HB3 1 66 THR MG 4.000 . 5.000 3.235 2.948 3.615 . 0 0 "[ . 1 .]" 1
372 1 57 LYS HA 1 66 THR MG 4.000 . 5.000 4.646 4.113 5.084 0.084 10 0 "[ . 1 .]" 1
373 1 71 GLY QA 1 72 ARG HA 4.000 . 5.000 3.996 3.932 4.091 . 0 0 "[ . 1 .]" 1
374 1 76 LEU QB 1 77 ASP HA 4.000 . 5.000 4.635 4.418 4.781 . 0 0 "[ . 1 .]" 1
375 1 47 SER HB2 1 49 VAL MG1 4.000 . 5.000 3.016 2.632 3.409 . 0 0 "[ . 1 .]" 1
376 1 49 VAL MG1 1 59 LYS QD 4.000 . 5.000 2.954 2.232 3.588 . 0 0 "[ . 1 .]" 1
377 1 38 ILE QG 1 49 VAL MG1 4.000 . 5.000 3.715 3.083 4.242 . 0 0 "[ . 1 .]" 1
378 1 38 ILE MD 1 49 VAL MG1 3.000 . 3.500 3.353 2.843 3.621 0.121 13 0 "[ . 1 .]" 1
379 1 49 VAL MG2 1 56 MET HA 4.000 . 5.000 3.572 3.269 3.809 . 0 0 "[ . 1 .]" 1
380 1 37 ASP HA 1 48 THR HA 4.000 . 5.000 2.143 1.936 2.438 . 0 0 "[ . 1 .]" 1
381 1 47 SER HA 1 48 THR HA 4.000 . 5.000 4.408 4.362 4.435 . 0 0 "[ . 1 .]" 1
382 1 48 THR HA 1 49 VAL HA 4.000 . 6.000 4.402 4.387 4.429 . 0 0 "[ . 1 .]" 1
383 1 48 THR HA 1 49 VAL MG1 4.000 . 5.000 3.970 3.737 4.159 . 0 0 "[ . 1 .]" 1
384 1 38 ILE MG 1 48 THR HA 4.000 . 6.000 5.171 4.629 5.484 . 0 0 "[ . 1 .]" 1
385 1 48 THR HA 1 49 VAL MG2 4.000 . 6.000 3.577 3.451 3.770 . 0 0 "[ . 1 .]" 1
386 1 37 ASP HA 1 48 THR MG 4.000 . 5.000 3.202 2.883 3.493 . 0 0 "[ . 1 .]" 1
387 1 35 THR HA 1 48 THR MG 4.000 . 5.000 4.068 3.714 4.456 . 0 0 "[ . 1 .]" 1
388 1 36 VAL HA 1 48 THR MG 4.000 . 5.000 3.760 3.293 4.324 . 0 0 "[ . 1 .]" 1
389 1 35 THR HB 1 48 THR MG 3.000 . 3.500 2.182 1.798 2.588 0.002 7 0 "[ . 1 .]" 1
390 1 36 VAL H 1 48 THR MG 4.000 . 5.000 3.740 3.328 4.211 . 0 0 "[ . 1 .]" 1
391 1 34 MET HA 1 35 THR HA 4.000 . 5.000 4.376 4.311 4.433 . 0 0 "[ . 1 .]" 1
392 1 35 THR HA 1 50 GLN QB 4.000 . 5.000 4.218 3.701 4.635 . 0 0 "[ . 1 .]" 1
393 1 35 THR HA 1 36 VAL MG1 4.000 . 5.000 3.841 3.554 4.068 . 0 0 "[ . 1 .]" 1
394 1 35 THR HB 1 50 GLN HA 4.000 . 5.000 4.350 3.932 4.687 . 0 0 "[ . 1 .]" 1
395 1 35 THR MG 1 50 GLN QB 4.000 . 5.000 3.559 2.981 4.138 . 0 0 "[ . 1 .]" 1
396 1 35 THR MG 1 50 GLN HA 4.000 . 5.000 2.681 2.335 2.918 . 0 0 "[ . 1 .]" 1
397 1 35 THR MG 1 50 GLN H 4.000 . 5.000 3.562 2.929 4.029 . 0 0 "[ . 1 .]" 1
398 1 43 CYS HB2 1 61 CYS HB2 4.000 . 5.000 4.804 4.604 5.030 0.030 6 0 "[ . 1 .]" 1
399 1 36 VAL MG2 1 50 GLN QB 4.000 . 6.000 5.146 4.784 5.452 . 0 0 "[ . 1 .]" 1
400 1 49 VAL MG1 1 50 GLN QB 4.000 . 6.000 5.118 4.707 5.444 . 0 0 "[ . 1 .]" 1
401 1 37 ASP HA 1 48 THR H 4.000 . 5.000 4.335 3.890 4.665 . 0 0 "[ . 1 .]" 1
402 1 36 VAL MG2 1 37 ASP HA 4.000 . 5.000 4.164 3.917 4.381 . 0 0 "[ . 1 .]" 1
403 1 37 ASP HA 1 38 ILE MG 4.000 . 5.000 3.982 3.687 4.219 . 0 0 "[ . 1 .]" 1
404 1 36 VAL MG2 1 37 ASP QB 4.000 . 6.000 5.038 4.827 5.297 . 0 0 "[ . 1 .]" 1
405 1 39 LEU HA 1 46 ARG HA 4.000 . 5.000 2.082 1.917 2.299 . 0 0 "[ . 1 .]" 1
406 1 46 ARG HA 1 60 ILE MD 4.000 . 5.000 4.002 3.734 4.178 . 0 0 "[ . 1 .]" 1
407 1 46 ARG H 1 46 ARG HB2 4.000 . 5.000 3.702 3.659 3.763 . 0 0 "[ . 1 .]" 1
408 1 39 LEU MD2 1 46 ARG HB2 4.000 . 5.000 4.748 3.516 5.205 0.205 14 0 "[ . 1 .]" 1
409 1 39 LEU MD1 1 46 ARG HB2 4.000 . 5.000 4.109 3.464 4.698 . 0 0 "[ . 1 .]" 1
410 1 39 LEU HG 1 46 ARG HB2 4.000 . 6.000 3.545 3.211 3.991 . 0 0 "[ . 1 .]" 1
411 1 46 ARG HB2 1 69 ALA MB 4.000 . 5.000 3.596 2.907 4.252 . 0 0 "[ . 1 .]" 1
412 1 46 ARG HG3 1 69 ALA MB 4.000 . 6.000 5.210 4.503 5.672 . 0 0 "[ . 1 .]" 1
413 1 46 ARG HG2 1 69 ALA MB 4.000 . 6.000 5.193 4.387 5.729 . 0 0 "[ . 1 .]" 1
414 1 61 CYS H 1 62 GLU HA 4.000 . 5.000 4.004 3.932 4.108 . 0 0 "[ . 1 .]" 1
415 1 57 LYS HG3 1 62 GLU HA 4.000 . 5.000 2.882 2.435 3.870 . 0 0 "[ . 1 .]" 1
416 1 57 LYS HG2 1 62 GLU HA 4.000 . 5.000 2.999 2.168 4.684 . 0 0 "[ . 1 .]" 1
417 1 62 GLU H 1 62 GLU HG3 4.000 . 5.000 4.081 2.970 4.639 . 0 0 "[ . 1 .]" 1
418 1 43 CYS HB2 1 61 CYS HB3 4.000 . 5.000 3.606 3.486 3.860 . 0 0 "[ . 1 .]" 1
419 1 46 ARG QD 1 69 ALA MB 4.000 . 5.000 3.282 2.504 3.849 . 0 0 "[ . 1 .]" 1
420 1 37 ASP QB 1 69 ALA MB 3.000 . 3.500 2.930 1.843 3.527 0.027 15 0 "[ . 1 .]" 1
421 1 39 LEU MD1 1 69 ALA MB 4.000 . 5.000 2.565 2.265 3.191 . 0 0 "[ . 1 .]" 1
422 1 38 ILE MG 1 69 ALA MB 4.000 . 5.000 4.554 4.001 4.852 . 0 0 "[ . 1 .]" 1
423 1 39 LEU MD2 1 69 ALA MB 4.000 . 5.000 4.222 3.393 5.043 0.043 12 0 "[ . 1 .]" 1
424 1 38 ILE HA 1 69 ALA HA 4.000 . 5.000 4.822 4.155 5.165 0.165 10 0 "[ . 1 .]" 1
425 1 69 ALA HA 1 70 GLY QA 4.000 . 5.000 4.028 3.865 4.412 . 0 0 "[ . 1 .]" 1
426 1 39 LEU HB2 1 69 ALA HA 4.000 . 5.000 3.794 2.746 4.557 . 0 0 "[ . 1 .]" 1
427 1 69 ALA MB 1 70 GLY QA 4.000 . 5.000 3.777 3.419 4.105 . 0 0 "[ . 1 .]" 1
428 1 53 ILE HA 1 54 LEU HA 4.000 . 6.000 4.675 4.621 4.727 . 0 0 "[ . 1 .]" 1
429 1 54 LEU HA 1 55 GLY QA 4.000 . 6.000 4.058 3.900 4.124 . 0 0 "[ . 1 .]" 1
430 1 54 LEU HA 1 54 LEU MD1 4.000 . 5.000 2.643 1.862 3.892 . 0 0 "[ . 1 .]" 1
431 1 78 GLN H 1 78 GLN QG 4.000 . 5.000 3.198 2.066 4.447 . 0 0 "[ . 1 .]" 1
432 1 76 LEU MD1 1 78 GLN QG 4.000 . 6.000 3.943 2.574 5.633 . 0 0 "[ . 1 .]" 1
433 1 72 ARG HA 1 72 ARG QD 4.000 . 5.000 3.350 2.001 4.266 . 0 0 "[ . 1 .]" 1
434 1 76 LEU MD2 1 78 GLN QG 4.000 . 6.000 4.306 2.237 6.186 0.186 15 0 "[ . 1 .]" 1
435 1 67 ALA HA 1 68 GLN HA 4.000 . 5.000 4.353 4.271 4.424 . 0 0 "[ . 1 .]" 1
436 1 40 CYS HA 1 67 ALA MB 4.000 . 6.000 5.063 4.894 5.349 . 0 0 "[ . 1 .]" 1
437 1 67 ALA MB 1 69 ALA HA 4.000 . 6.000 4.682 4.506 4.950 . 0 0 "[ . 1 .]" 1
438 1 51 PHE HD1 1 52 HIS HA 4.000 . 6.000 6.030 5.869 6.093 0.093 2 0 "[ . 1 .]" 1
439 1 52 HIS HA 1 52 HIS HD2 4.000 . 5.000 2.727 2.420 2.991 . 0 0 "[ . 1 .]" 1
440 1 52 HIS HA 1 53 ILE MD 4.000 . 5.000 3.603 2.816 4.789 . 0 0 "[ . 1 .]" 1
441 1 57 LYS HA 1 64 TYR HA 4.000 . 5.000 3.253 2.406 4.078 . 0 0 "[ . 1 .]" 1
442 1 57 LYS H 1 57 LYS QE 4.000 . 5.000 4.506 4.291 5.009 0.009 14 0 "[ . 1 .]" 1
443 1 53 ILE HA 1 55 GLY H 4.000 . 5.000 3.647 3.484 3.901 . 0 0 "[ . 1 .]" 1
444 1 53 ILE HB 1 55 GLY H 4.000 . 6.000 5.016 4.850 5.149 . 0 0 "[ . 1 .]" 1
445 1 52 HIS HA 1 53 ILE HB 4.000 . 5.000 4.580 4.366 4.832 . 0 0 "[ . 1 .]" 1
446 1 53 ILE HB 1 54 LEU HA 4.000 . 5.000 4.575 4.322 4.839 . 0 0 "[ . 1 .]" 1
447 1 54 LEU HA 1 54 LEU MD2 4.000 . 5.000 2.832 2.068 3.616 . 0 0 "[ . 1 .]" 1
448 1 39 LEU HA 1 46 ARG H 4.000 . 6.000 4.185 3.963 4.468 . 0 0 "[ . 1 .]" 1
449 1 39 LEU HA 1 67 ALA H 4.000 . 6.000 4.754 4.513 4.986 . 0 0 "[ . 1 .]" 1
450 1 39 LEU HB3 1 40 CYS H 4.000 . 5.000 3.838 3.103 4.082 . 0 0 "[ . 1 .]" 1
451 1 56 MET ME 1 68 GLN HA 4.000 . 5.000 4.397 3.179 5.157 0.157 15 0 "[ . 1 .]" 1
452 1 56 MET HA 1 56 MET ME 4.000 . 5.000 4.277 4.032 4.440 . 0 0 "[ . 1 .]" 1
453 1 55 GLY QA 1 56 MET ME 4.000 . 5.000 3.978 3.461 4.651 . 0 0 "[ . 1 .]" 1
454 1 38 ILE MG 1 56 MET ME 3.000 . 3.500 2.171 1.838 2.587 . 0 0 "[ . 1 .]" 1
455 1 52 HIS H 1 56 MET ME 4.000 . 5.000 3.942 3.350 4.776 . 0 0 "[ . 1 .]" 1
456 1 51 PHE HD1 1 56 MET ME 3.000 . 3.500 2.979 2.817 3.180 . 0 0 "[ . 1 .]" 1
457 1 51 PHE HE1 1 56 MET ME 4.000 . 5.000 2.797 2.568 3.061 . 0 0 "[ . 1 .]" 1
458 1 34 MET ME 1 51 PHE HB3 4.000 . 5.000 3.261 2.510 4.623 . 0 0 "[ . 1 .]" 1
459 1 34 MET ME 1 36 VAL MG1 4.000 . 5.000 2.281 1.869 2.539 . 0 0 "[ . 1 .]" 1
460 1 34 MET ME 1 68 GLN HE22 4.000 . 5.000 4.115 3.216 5.049 0.049 15 0 "[ . 1 .]" 1
461 1 34 MET ME 1 51 PHE HD2 4.000 . 5.000 3.802 3.059 5.095 0.095 11 0 "[ . 1 .]" 1
462 1 68 GLN HA 1 68 GLN HG3 4.000 . 5.000 2.636 2.334 3.124 . 0 0 "[ . 1 .]" 1
463 1 68 GLN HA 1 68 GLN HG2 4.000 . 5.000 2.948 2.401 3.207 . 0 0 "[ . 1 .]" 1
464 1 39 LEU HB2 1 69 ALA MB 3.000 . 3.500 2.110 1.703 2.981 0.097 11 0 "[ . 1 .]" 1
465 1 39 LEU HG 1 40 CYS H 4.000 . 5.000 3.707 3.182 4.494 . 0 0 "[ . 1 .]" 1
466 1 39 LEU HA 1 39 LEU MD1 4.000 . 5.000 3.723 3.560 3.854 . 0 0 "[ . 1 .]" 1
467 1 39 LEU HB2 1 39 LEU MD1 3.000 . 3.500 2.222 2.143 2.326 . 0 0 "[ . 1 .]" 1
468 1 39 LEU HA 1 39 LEU MD2 4.000 . 5.000 2.717 2.092 3.181 . 0 0 "[ . 1 .]" 1
469 1 39 LEU HB2 1 39 LEU MD2 3.000 . 3.500 3.186 3.100 3.230 . 0 0 "[ . 1 .]" 1
470 1 40 CYS HB2 1 43 CYS H 4.000 . 5.000 3.261 2.742 4.031 . 0 0 "[ . 1 .]" 1
471 1 56 MET HA 1 56 MET HG3 4.000 . 5.000 2.597 2.371 2.959 . 0 0 "[ . 1 .]" 1
472 1 56 MET HA 1 56 MET HG2 4.000 . 5.000 3.202 2.430 3.682 . 0 0 "[ . 1 .]" 1
473 1 73 ARG HA 1 73 ARG QD 4.000 . 5.000 2.860 1.871 4.079 . 0 0 "[ . 1 .]" 1
474 1 73 ARG QB 1 73 ARG QD 3.000 . 3.500 2.399 2.074 2.841 . 0 0 "[ . 1 .]" 1
475 1 46 ARG HB2 1 46 ARG QD 3.000 . 3.500 2.396 2.213 2.765 . 0 0 "[ . 1 .]" 1
476 1 73 ARG QD 1 74 ILE H 4.000 . 5.000 3.283 2.512 4.903 . 0 0 "[ . 1 .]" 1
477 1 36 VAL HA 1 36 VAL MG1 3.000 . 3.500 2.338 2.275 2.383 . 0 0 "[ . 1 .]" 1
478 1 36 VAL MG2 1 37 ASP H 4.000 . 5.000 3.789 3.566 3.971 . 0 0 "[ . 1 .]" 1
479 1 59 LYS HA 1 59 LYS HG3 4.000 . 5.000 3.114 2.500 3.843 . 0 0 "[ . 1 .]" 1
480 1 59 LYS HA 1 59 LYS HG2 4.000 . 5.000 2.802 2.423 3.667 . 0 0 "[ . 1 .]" 1
481 1 59 LYS HA 1 59 LYS QD 4.000 . 5.000 3.513 1.887 4.257 . 0 0 "[ . 1 .]" 1
482 1 59 LYS HA 1 59 LYS QE 4.000 . 6.000 4.154 2.197 4.979 . 0 0 "[ . 1 .]" 1
483 1 59 LYS HB3 1 59 LYS QE 4.000 . 5.000 3.376 1.935 4.514 . 0 0 "[ . 1 .]" 1
484 1 59 LYS HB2 1 59 LYS QE 4.000 . 5.000 3.522 1.925 4.514 . 0 0 "[ . 1 .]" 1
485 1 42 ASP HB3 1 43 CYS H 4.000 . 5.000 3.959 3.440 4.084 . 0 0 "[ . 1 .]" 1
486 1 42 ASP HB2 1 43 CYS H 4.000 . 5.000 3.339 2.607 3.829 . 0 0 "[ . 1 .]" 1
487 1 38 ILE HA 1 38 ILE MD 4.000 . 5.000 4.109 3.843 4.207 . 0 0 "[ . 1 .]" 1
488 1 38 ILE HA 1 38 ILE MG 3.000 . 3.500 2.246 2.178 2.308 . 0 0 "[ . 1 .]" 1
489 1 38 ILE QG 1 38 ILE MG 3.000 . 3.500 2.190 2.041 2.263 . 0 0 "[ . 1 .]" 1
490 1 38 ILE QG 1 49 VAL MG2 4.000 . 5.000 2.260 2.004 2.484 . 0 0 "[ . 1 .]" 1
491 1 38 ILE MD 1 38 ILE MG 3.000 . 3.500 2.404 2.108 3.149 . 0 0 "[ . 1 .]" 1
492 1 38 ILE MD 1 49 VAL MG2 3.000 . 3.500 2.414 2.249 2.728 . 0 0 "[ . 1 .]" 1
493 1 38 ILE MG 1 39 LEU H 4.000 . 5.000 3.608 3.256 3.754 . 0 0 "[ . 1 .]" 1
494 1 38 ILE HB 1 38 ILE MD 3.000 . 3.500 2.279 2.188 2.350 . 0 0 "[ . 1 .]" 1
495 1 60 ILE HA 1 60 ILE HG12 4.000 . 5.000 2.724 2.606 2.909 . 0 0 "[ . 1 .]" 1
496 1 60 ILE HA 1 60 ILE HG13 4.000 . 5.000 3.096 2.983 3.241 . 0 0 "[ . 1 .]" 1
497 1 60 ILE HA 1 60 ILE MG 3.000 . 3.500 2.335 2.240 2.440 . 0 0 "[ . 1 .]" 1
498 1 60 ILE HG12 1 60 ILE MG 3.000 . 3.500 2.330 2.239 2.365 . 0 0 "[ . 1 .]" 1
499 1 53 ILE HG12 1 53 ILE MG 3.000 . 3.500 2.387 2.122 3.218 . 0 0 "[ . 1 .]" 1
500 1 60 ILE HA 1 60 ILE MD 4.000 . 5.000 3.936 3.883 4.008 . 0 0 "[ . 1 .]" 1
501 1 60 ILE HB 1 60 ILE MD 3.000 . 3.500 2.403 2.336 2.448 . 0 0 "[ . 1 .]" 1
502 1 60 ILE MD 1 60 ILE MG 2.000 . 2.700 2.013 1.958 2.149 . 0 0 "[ . 1 .]" 1
503 1 60 ILE MD 1 61 CYS H 4.000 . 5.000 4.605 4.446 4.758 . 0 0 "[ . 1 .]" 1
504 1 47 SER HB2 1 48 THR H 4.000 . 5.000 4.215 3.998 4.346 . 0 0 "[ . 1 .]" 1
505 1 49 VAL HA 1 49 VAL MG1 3.000 . 3.500 2.325 2.288 2.368 . 0 0 "[ . 1 .]" 1
506 1 35 THR H 1 36 VAL MG1 4.000 . 5.000 4.316 3.981 4.562 . 0 0 "[ . 1 .]" 1
507 1 36 VAL MG1 1 37 ASP H 4.000 . 6.000 3.729 3.410 3.827 . 0 0 "[ . 1 .]" 1
508 1 48 THR HA 1 48 THR MG 3.000 . 3.500 2.280 2.227 2.358 . 0 0 "[ . 1 .]" 1
509 1 35 THR HA 1 35 THR MG 3.000 . 3.500 2.248 2.188 2.325 . 0 0 "[ . 1 .]" 1
510 1 34 MET HA 1 34 MET HG3 4.000 . 5.000 2.956 2.533 3.809 . 0 0 "[ . 1 .]" 1
511 1 34 MET HA 1 34 MET HG2 4.000 . 5.000 3.134 2.374 3.779 . 0 0 "[ . 1 .]" 1
512 1 38 ILE QG 1 46 ARG HA 4.000 . 5.000 4.195 3.671 5.053 0.053 11 0 "[ . 1 .]" 1
513 1 46 ARG HA 1 46 ARG QD 4.000 . 5.000 4.281 4.185 4.456 . 0 0 "[ . 1 .]" 1
514 1 37 ASP HA 1 46 ARG QD 4.000 . 6.000 5.273 4.553 6.291 0.291 4 0 "[ . 1 .]" 1
515 1 62 GLU HA 1 62 GLU HG3 4.000 . 5.000 3.456 2.404 3.773 . 0 0 "[ . 1 .]" 1
516 1 62 GLU HA 1 62 GLU HG2 4.000 . 5.000 2.923 2.327 3.644 . 0 0 "[ . 1 .]" 1
517 1 69 ALA MB 1 70 GLY H 4.000 . 5.000 2.906 2.004 3.578 . 0 0 "[ . 1 .]" 1
518 1 72 ARG HA 1 72 ARG QG 3.000 . 3.500 2.715 2.329 3.366 . 0 0 "[ . 1 .]" 1
519 1 76 LEU HA 1 76 LEU MD1 4.000 . 5.000 2.783 1.984 4.071 . 0 0 "[ . 1 .]" 1
520 1 76 LEU HA 1 76 LEU MD2 4.000 . 5.000 3.555 1.901 3.913 . 0 0 "[ . 1 .]" 1
521 1 76 LEU QB 1 76 LEU MD1 3.000 . 3.500 2.217 2.058 2.357 . 0 0 "[ . 1 .]" 1
522 1 76 LEU QB 1 76 LEU MD2 3.000 . 3.500 2.149 2.060 2.365 . 0 0 "[ . 1 .]" 1
523 1 76 LEU MD2 1 77 ASP H 4.000 . 5.000 4.362 3.056 5.081 0.081 8 0 "[ . 1 .]" 1
524 1 78 GLN QG 1 79 GLN H 4.000 . 6.000 3.836 2.567 4.504 . 0 0 "[ . 1 .]" 1
525 1 57 LYS HB3 1 57 LYS QE 4.000 . 5.000 2.808 2.038 3.682 . 0 0 "[ . 1 .]" 1
526 1 57 LYS HB2 1 57 LYS QE 4.000 . 5.000 2.383 1.943 3.086 . 0 0 "[ . 1 .]" 1
527 1 78 GLN QB 1 79 GLN H 4.000 . 6.000 3.195 2.155 3.980 . 0 0 "[ . 1 .]" 1
528 1 74 ILE HA 1 74 ILE MD 4.000 . 5.000 3.789 1.986 4.219 . 0 0 "[ . 1 .]" 1
529 1 74 ILE HB 1 75 SER H 4.000 . 6.000 3.713 2.494 4.448 . 0 0 "[ . 1 .]" 1
530 1 74 ILE MD 1 74 ILE MG 2.000 . 2.700 2.015 1.982 2.082 . 0 0 "[ . 1 .]" 1
531 1 53 ILE HA 1 53 ILE MG 3.000 . 3.500 2.512 2.299 2.735 . 0 0 "[ . 1 .]" 1
532 1 53 ILE HG13 1 53 ILE MG 3.000 . 3.500 2.684 2.323 3.196 . 0 0 "[ . 1 .]" 1
533 1 53 ILE HA 1 53 ILE MD 4.000 . 5.000 3.104 2.030 3.955 . 0 0 "[ . 1 .]" 1
534 1 53 ILE HB 1 53 ILE MD 3.000 . 3.500 2.521 2.297 3.253 . 0 0 "[ . 1 .]" 1
535 1 34 MET HA 1 35 THR MG 4.000 . 5.000 4.136 3.886 4.602 . 0 0 "[ . 1 .]" 1
536 1 35 THR HB 1 48 THR HB 4.000 . 5.000 4.589 4.008 5.017 0.017 5 0 "[ . 1 .]" 1
537 1 35 THR MG 1 48 THR MG 4.000 . 5.000 3.181 2.849 3.460 . 0 0 "[ . 1 .]" 1
538 1 35 THR MG 1 49 VAL HA 4.000 . 5.000 3.536 2.605 4.109 . 0 0 "[ . 1 .]" 1
539 1 35 THR HA 1 36 VAL HA 4.000 . 6.000 4.381 4.347 4.443 . 0 0 "[ . 1 .]" 1
540 1 35 THR HB 1 36 VAL HA 4.000 . 5.000 4.416 4.235 4.629 . 0 0 "[ . 1 .]" 1
541 1 37 ASP QB 1 46 ARG QD 4.000 . 5.000 3.654 2.197 4.805 . 0 0 "[ . 1 .]" 1
542 1 37 ASP QB 1 48 THR HA 4.000 . 5.000 3.495 2.955 4.244 . 0 0 "[ . 1 .]" 1
543 1 37 ASP HA 1 38 ILE HA 4.000 . 5.000 4.379 4.320 4.413 . 0 0 "[ . 1 .]" 1
544 1 38 ILE HA 1 66 THR HB 4.000 . 5.000 4.005 3.524 4.665 . 0 0 "[ . 1 .]" 1
545 1 38 ILE MD 1 66 THR HA 4.000 . 5.000 4.735 4.491 4.939 . 0 0 "[ . 1 .]" 1
546 1 37 ASP HA 1 38 ILE QG 4.000 . 6.000 3.534 3.155 3.794 . 0 0 "[ . 1 .]" 1
547 1 38 ILE QG 1 56 MET ME 4.000 . 5.000 4.074 3.206 4.667 . 0 0 "[ . 1 .]" 1
548 1 38 ILE QG 1 66 THR HB 4.000 . 5.000 3.966 3.582 4.210 . 0 0 "[ . 1 .]" 1
549 1 38 ILE MG 1 66 THR MG 4.000 . 5.000 3.911 3.561 4.317 . 0 0 "[ . 1 .]" 1
550 1 38 ILE MD 1 39 LEU HA 4.000 . 5.000 4.917 3.969 5.218 0.218 8 0 "[ . 1 .]" 1
551 1 39 LEU HB3 1 67 ALA MB 4.000 . 5.000 3.677 3.336 4.536 . 0 0 "[ . 1 .]" 1
552 1 73 ARG QB 1 74 ILE MG 4.000 . 6.000 5.172 4.305 6.053 0.053 12 0 "[ . 1 .]" 1
553 1 39 LEU HA 1 40 CYS HA 4.000 . 5.000 4.347 4.284 4.416 . 0 0 "[ . 1 .]" 1
554 1 40 CYS HA 1 41 ASN HB2 4.000 . 5.000 4.591 4.451 4.744 . 0 0 "[ . 1 .]" 1
555 1 40 CYS HB3 1 43 CYS HA 4.000 . 5.000 4.660 4.506 4.817 . 0 0 "[ . 1 .]" 1
556 1 40 CYS HB2 1 45 GLY HA3 4.000 . 5.000 4.119 3.773 4.447 . 0 0 "[ . 1 .]" 1
557 1 41 ASN HA 1 42 ASP HA 4.000 . 5.000 4.605 4.477 4.694 . 0 0 "[ . 1 .]" 1
558 1 41 ASN HA 1 67 ALA MB 4.000 . 5.000 5.024 4.798 5.138 0.138 11 0 "[ . 1 .]" 1
559 1 42 ASP H 1 43 CYS HB3 4.000 . 5.000 5.048 4.866 5.106 0.106 8 0 "[ . 1 .]" 1
560 1 40 CYS HB3 1 43 CYS HB3 4.000 . 5.000 4.344 4.126 4.736 . 0 0 "[ . 1 .]" 1
561 1 40 CYS HB2 1 44 ASN HA 4.000 . 5.000 3.800 3.420 4.611 . 0 0 "[ . 1 .]" 1
562 1 44 ASN HA 1 45 GLY HA2 4.000 . 5.000 4.415 4.302 4.492 . 0 0 "[ . 1 .]" 1
563 1 35 THR MG 1 48 THR HB 4.000 . 5.000 4.839 4.452 5.102 0.102 10 0 "[ . 1 .]" 1
564 1 48 THR MG 1 49 VAL HA 4.000 . 5.000 4.068 3.949 4.248 . 0 0 "[ . 1 .]" 1
565 1 35 THR HB 1 49 VAL H 4.000 . 5.000 4.161 3.655 4.581 . 0 0 "[ . 1 .]" 1
566 1 51 PHE HA 1 56 MET ME 4.000 . 5.000 3.971 3.630 4.489 . 0 0 "[ . 1 .]" 1
567 1 36 VAL MG1 1 51 PHE HD2 4.000 . 6.000 5.427 4.676 6.047 0.047 8 0 "[ . 1 .]" 1
568 1 36 VAL MG1 1 51 PHE HD1 4.000 . 6.000 3.199 2.401 4.388 . 0 0 "[ . 1 .]" 1
569 1 49 VAL MG2 1 51 PHE H 4.000 . 6.000 4.895 4.590 5.162 . 0 0 "[ . 1 .]" 1
570 1 52 HIS HA 1 53 ILE HA 4.000 . 5.000 4.351 4.285 4.419 . 0 0 "[ . 1 .]" 1
571 1 55 GLY QA 1 56 MET HA 4.000 . 5.000 4.017 3.939 4.081 . 0 0 "[ . 1 .]" 1
572 1 56 MET HB2 1 56 MET ME 2.000 . 2.700 2.103 1.955 2.200 . 0 0 "[ . 1 .]" 1
573 1 51 PHE HB2 1 56 MET ME 4.000 . 5.000 4.993 4.670 5.086 0.086 3 0 "[ . 1 .]" 1
574 1 56 MET HB3 1 56 MET ME 4.000 . 5.000 3.361 3.007 3.505 . 0 0 "[ . 1 .]" 1
575 1 60 ILE HB 1 61 CYS HA 4.000 . 5.000 4.607 4.449 4.729 . 0 0 "[ . 1 .]" 1
576 1 59 LYS HA 1 60 ILE HA 4.000 . 5.000 4.654 4.441 4.782 . 0 0 "[ . 1 .]" 1
577 1 59 LYS HA 1 62 GLU HA 4.000 . 6.000 3.959 3.488 4.373 . 0 0 "[ . 1 .]" 1
578 1 60 ILE MG 1 62 GLU H 4.000 . 6.000 5.254 4.996 5.428 . 0 0 "[ . 1 .]" 1
579 1 40 CYS HA 1 41 ASN HA 4.000 . 5.000 4.362 4.313 4.387 . 0 0 "[ . 1 .]" 1
580 1 40 CYS HB2 1 43 CYS HA 4.000 . 6.000 5.369 4.825 6.079 0.079 1 0 "[ . 1 .]" 1
581 1 40 CYS HB2 1 66 THR HA 4.000 . 6.000 5.017 4.710 5.175 . 0 0 "[ . 1 .]" 1
582 1 66 THR HA 1 67 ALA MB 4.000 . 5.000 3.954 3.873 4.023 . 0 0 "[ . 1 .]" 1
583 1 66 THR HB 1 67 ALA HA 4.000 . 5.000 4.209 4.003 4.454 . 0 0 "[ . 1 .]" 1
584 1 38 ILE MG 1 68 GLN H 4.000 . 5.000 3.823 3.376 4.528 . 0 0 "[ . 1 .]" 1
585 1 37 ASP H 1 48 THR MG 4.000 . 5.000 3.727 3.204 4.235 . 0 0 "[ . 1 .]" 1
586 1 40 CYS H 1 46 ARG HB3 4.000 . 5.000 4.464 3.906 4.917 . 0 0 "[ . 1 .]" 1
587 1 47 SER H 1 60 ILE MD 4.000 . 5.000 4.594 4.119 4.879 . 0 0 "[ . 1 .]" 1
588 1 47 SER HA 1 60 ILE MD 4.000 . 5.000 4.079 3.581 4.539 . 0 0 "[ . 1 .]" 1
589 1 52 HIS HE1 1 54 LEU HG 4.000 . 5.000 4.462 3.995 5.045 0.045 12 0 "[ . 1 .]" 1
590 1 33 ASN HA 1 33 ASN QD 4.000 . 5.000 3.233 1.900 4.096 . 0 0 "[ . 1 .]" 1
591 1 34 MET QB 1 51 PHE HB3 4.000 . 6.000 3.452 2.568 5.135 . 0 0 "[ . 1 .]" 1
592 1 34 MET ME 1 34 MET QG 3.000 . 3.500 2.313 2.205 2.449 . 0 0 "[ . 1 .]" 1
593 1 34 MET QG 1 35 THR H 4.000 . 5.000 3.394 2.916 4.182 . 0 0 "[ . 1 .]" 1
594 1 34 MET QG 1 36 VAL MG1 4.000 . 5.000 2.781 2.184 4.243 . 0 0 "[ . 1 .]" 1
595 1 36 VAL HB 1 68 GLN QG 4.000 . 5.000 2.969 2.690 3.566 . 0 0 "[ . 1 .]" 1
596 1 36 VAL MG1 1 68 GLN QG 4.000 . 6.000 3.794 3.341 4.073 . 0 0 "[ . 1 .]" 1
597 1 36 VAL MG2 1 56 MET QG 4.000 . 5.000 2.924 2.187 3.898 . 0 0 "[ . 1 .]" 1
598 1 36 VAL MG2 1 68 GLN QB 4.000 . 5.000 4.473 3.794 4.907 . 0 0 "[ . 1 .]" 1
599 1 36 VAL MG2 1 68 GLN QG 4.000 . 5.000 3.382 2.501 3.646 . 0 0 "[ . 1 .]" 1
600 1 37 ASP H 1 68 GLN QG 4.000 . 6.000 4.238 3.409 5.548 . 0 0 "[ . 1 .]" 1
601 1 38 ILE HA 1 68 GLN QG 4.000 . 5.000 3.747 3.215 4.178 . 0 0 "[ . 1 .]" 1
602 1 38 ILE MG 1 56 MET QG 4.000 . 5.000 3.249 1.920 4.444 . 0 0 "[ . 1 .]" 1
603 1 38 ILE MG 1 68 GLN QG 4.000 . 5.000 2.743 2.140 3.071 . 0 0 "[ . 1 .]" 1
604 1 38 ILE QG 1 47 SER QB 4.000 . 5.000 2.808 2.239 3.685 . 0 0 "[ . 1 .]" 1
605 1 38 ILE MD 1 47 SER QB 4.000 . 5.000 2.795 2.102 3.403 . 0 0 "[ . 1 .]" 1
606 1 38 ILE MD 1 56 MET QG 4.000 . 5.000 3.704 3.213 4.314 . 0 0 "[ . 1 .]" 1
607 1 38 ILE MD 1 58 CYS QB 4.000 . 6.000 2.820 2.422 3.525 . 0 0 "[ . 1 .]" 1
608 1 39 LEU HA 1 39 LEU QD 3.000 . 3.500 2.637 2.083 2.970 . 0 0 "[ . 1 .]" 1
609 1 39 LEU HA 1 46 ARG QG 4.000 . 5.000 4.500 4.200 4.964 . 0 0 "[ . 1 .]" 1
610 1 39 LEU HB3 1 39 LEU QD 3.000 . 3.500 2.113 2.065 2.135 . 0 0 "[ . 1 .]" 1
611 1 39 LEU HG 1 46 ARG QG 4.000 . 5.000 3.612 2.945 4.548 . 0 0 "[ . 1 .]" 1
612 1 39 LEU QD 1 40 CYS H 3.000 . 3.500 2.499 1.992 2.849 . 0 0 "[ . 1 .]" 1
613 1 39 LEU QD 1 40 CYS HA 4.000 . 5.000 4.241 4.075 4.930 . 0 0 "[ . 1 .]" 1
614 1 39 LEU QD 1 40 CYS HB2 4.000 . 5.000 3.712 3.311 4.139 . 0 0 "[ . 1 .]" 1
615 1 39 LEU QD 1 44 ASN H 4.000 . 6.000 4.223 3.871 5.025 . 0 0 "[ . 1 .]" 1
616 1 39 LEU QD 1 44 ASN HA 3.000 . 3.500 2.688 2.305 3.425 . 0 0 "[ . 1 .]" 1
617 1 39 LEU QD 1 44 ASN QB 4.000 . 5.000 3.541 3.029 4.221 . 0 0 "[ . 1 .]" 1
618 1 39 LEU QD 1 45 GLY H 4.000 . 5.000 3.120 2.010 3.830 . 0 0 "[ . 1 .]" 1
619 1 39 LEU QD 1 46 ARG H 4.000 . 5.000 3.678 2.934 4.039 . 0 0 "[ . 1 .]" 1
620 1 39 LEU QD 1 46 ARG HA 4.000 . 5.000 3.598 2.734 3.836 . 0 0 "[ . 1 .]" 1
621 1 39 LEU QD 1 46 ARG HB2 4.000 . 5.000 3.779 3.416 4.073 . 0 0 "[ . 1 .]" 1
622 1 39 LEU QD 1 46 ARG HB3 4.000 . 5.000 2.637 2.102 3.055 . 0 0 "[ . 1 .]" 1
623 1 39 LEU QD 1 46 ARG QG 4.000 . 5.000 3.561 2.810 4.151 . 0 0 "[ . 1 .]" 1
624 1 39 LEU QD 1 47 SER H 4.000 . 6.000 5.110 4.570 5.295 . 0 0 "[ . 1 .]" 1
625 1 39 LEU QD 1 69 ALA HA 4.000 . 5.000 3.831 2.606 4.599 . 0 0 "[ . 1 .]" 1
626 1 39 LEU QD 1 69 ALA MB 4.000 . 5.000 2.542 2.256 3.158 . 0 0 "[ . 1 .]" 1
627 1 41 ASN H 1 41 ASN QD 4.000 . 5.000 3.827 3.403 4.446 . 0 0 "[ . 1 .]" 1
628 1 41 ASN HA 1 41 ASN QD 4.000 . 5.000 3.838 2.784 4.171 . 0 0 "[ . 1 .]" 1
629 1 41 ASN HB2 1 65 ASN QD 4.000 . 5.000 2.601 1.790 3.900 0.010 13 0 "[ . 1 .]" 1
630 1 41 ASN HB3 1 41 ASN QD 3.000 . 3.500 2.585 2.128 2.898 . 0 0 "[ . 1 .]" 1
631 1 41 ASN HB3 1 65 ASN QD 4.000 . 5.000 3.574 2.899 5.036 0.036 6 0 "[ . 1 .]" 1
632 1 41 ASN QD 1 67 ALA MB 4.000 . 5.000 2.896 2.252 3.656 . 0 0 "[ . 1 .]" 1
633 1 42 ASP H 1 42 ASP QB 3.000 . 3.500 2.893 2.537 3.145 . 0 0 "[ . 1 .]" 1
634 1 42 ASP QB 1 43 CYS H 4.000 . 5.000 3.167 2.533 3.502 . 0 0 "[ . 1 .]" 1
635 1 44 ASN HA 1 44 ASN QD 3.000 . 3.500 3.301 1.741 3.684 0.184 5 0 "[ . 1 .]" 1
636 1 44 ASN QB 1 45 GLY H 4.000 . 5.000 3.861 3.774 4.032 . 0 0 "[ . 1 .]" 1
637 1 45 GLY HA2 1 46 ARG QG 4.000 . 5.000 3.834 3.501 4.280 . 0 0 "[ . 1 .]" 1
638 1 46 ARG H 1 46 ARG QG 3.000 . 3.500 2.122 1.934 2.371 . 0 0 "[ . 1 .]" 1
639 1 46 ARG QG 1 47 SER H 4.000 . 6.000 3.805 3.552 4.106 . 0 0 "[ . 1 .]" 1
640 1 46 ARG QG 1 60 ILE MD 4.000 . 5.000 4.167 3.678 4.821 . 0 0 "[ . 1 .]" 1
641 1 46 ARG QG 1 69 ALA MB 4.000 . 5.000 4.631 3.984 5.038 0.038 8 0 "[ . 1 .]" 1
642 1 47 SER QB 1 48 THR H 4.000 . 5.000 3.241 2.932 3.427 . 0 0 "[ . 1 .]" 1
643 1 47 SER QB 1 49 VAL MG1 3.000 . 3.500 2.387 2.121 2.831 . 0 0 "[ . 1 .]" 1
644 1 47 SER QB 1 59 LYS H 4.000 . 5.000 2.518 2.196 3.571 . 0 0 "[ . 1 .]" 1
645 1 47 SER QB 1 59 LYS QB 4.000 . 5.000 3.282 2.712 4.250 . 0 0 "[ . 1 .]" 1
646 1 47 SER QB 1 59 LYS QG 4.000 . 5.000 3.265 2.256 4.930 . 0 0 "[ . 1 .]" 1
647 1 47 SER QB 1 59 LYS QD 4.000 . 5.000 3.909 2.782 4.819 . 0 0 "[ . 1 .]" 1
648 1 47 SER QB 1 60 ILE MD 4.000 . 5.000 4.269 3.928 4.614 . 0 0 "[ . 1 .]" 1
649 1 49 VAL MG1 1 56 MET QG 4.000 . 6.000 4.882 4.246 5.795 . 0 0 "[ . 1 .]" 1
650 1 49 VAL MG1 1 59 LYS QB 4.000 . 5.000 3.874 2.608 4.699 . 0 0 "[ . 1 .]" 1
651 1 49 VAL MG1 1 59 LYS QG 4.000 . 5.000 2.815 2.213 4.022 . 0 0 "[ . 1 .]" 1
652 1 49 VAL MG2 1 56 MET QG 3.000 . 3.500 2.717 2.225 3.497 . 0 0 "[ . 1 .]" 1
653 1 50 GLN HA 1 50 GLN QE 4.000 . 5.000 4.032 2.876 4.836 . 0 0 "[ . 1 .]" 1
654 1 50 GLN QE 1 51 PHE H 4.000 . 5.000 4.605 3.405 5.120 0.120 15 0 "[ . 1 .]" 1
655 1 51 PHE HA 1 56 MET QG 4.000 . 5.000 2.493 1.913 3.144 . 0 0 "[ . 1 .]" 1
656 1 51 PHE HD1 1 68 GLN QG 4.000 . 6.000 5.112 3.751 5.923 . 0 0 "[ . 1 .]" 1
657 1 52 HIS QB 1 54 LEU QD 4.000 . 6.000 5.047 4.463 5.464 . 0 0 "[ . 1 .]" 1
658 1 52 HIS QB 1 55 GLY H 4.000 . 5.000 3.390 2.630 3.872 . 0 0 "[ . 1 .]" 1
659 1 52 HIS QB 1 56 MET HA 4.000 . 6.000 2.477 2.177 3.212 . 0 0 "[ . 1 .]" 1
660 1 52 HIS HD2 1 54 LEU QD 4.000 . 6.000 4.583 3.827 5.777 . 0 0 "[ . 1 .]" 1
661 1 52 HIS HE1 1 54 LEU QB 4.000 . 5.000 2.392 2.130 2.599 . 0 0 "[ . 1 .]" 1
662 1 52 HIS HE1 1 54 LEU QD 4.000 . 5.000 3.490 2.914 4.236 . 0 0 "[ . 1 .]" 1
663 1 53 ILE HB 1 54 LEU QD 3.000 . 3.500 2.800 2.222 3.581 0.081 3 0 "[ . 1 .]" 1
664 1 53 ILE QG 1 53 ILE MG 3.000 . 3.500 2.138 2.045 2.303 . 0 0 "[ . 1 .]" 1
665 1 54 LEU HA 1 54 LEU QD 3.000 . 3.500 2.119 1.831 3.105 . 0 0 "[ . 1 .]" 1
666 1 56 MET H 1 56 MET QG 4.000 . 5.000 3.140 2.453 3.678 . 0 0 "[ . 1 .]" 1
667 1 56 MET ME 1 56 MET QG 3.000 . 3.500 2.413 2.352 2.471 . 0 0 "[ . 1 .]" 1
668 1 56 MET QG 1 57 LYS H 4.000 . 5.000 3.862 3.520 4.179 . 0 0 "[ . 1 .]" 1
669 1 57 LYS H 1 57 LYS QB 3.000 . 3.500 2.344 2.208 2.472 . 0 0 "[ . 1 .]" 1
670 1 57 LYS H 1 57 LYS QG 4.000 . 5.000 4.025 3.940 4.161 . 0 0 "[ . 1 .]" 1
671 1 57 LYS QB 1 57 LYS QE 4.000 . 5.000 2.099 1.920 2.304 . 0 0 "[ . 1 .]" 1
672 1 57 LYS QB 1 58 CYS H 4.000 . 5.000 3.851 3.726 3.959 . 0 0 "[ . 1 .]" 1
673 1 57 LYS QB 1 58 CYS HA 4.000 . 6.000 4.922 4.704 5.089 . 0 0 "[ . 1 .]" 1
674 1 57 LYS QD 1 62 GLU HA 4.000 . 5.000 3.117 2.052 4.302 . 0 0 "[ . 1 .]" 1
675 1 57 LYS QD 1 62 GLU QB 4.000 . 5.000 3.331 2.264 5.029 0.029 13 0 "[ . 1 .]" 1
676 1 57 LYS QD 1 62 GLU QG 4.000 . 6.000 3.652 2.145 4.565 . 0 0 "[ . 1 .]" 1
677 1 58 CYS HA 1 59 LYS QG 4.000 . 6.000 4.007 3.481 5.738 . 0 0 "[ . 1 .]" 1
678 1 58 CYS QB 1 59 LYS H 4.000 . 5.000 3.757 3.545 3.848 . 0 0 "[ . 1 .]" 1
679 1 58 CYS QB 1 61 CYS H 4.000 . 5.000 3.659 3.268 3.927 . 0 0 "[ . 1 .]" 1
680 1 58 CYS QB 1 62 GLU H 4.000 . 5.000 3.641 3.312 3.844 . 0 0 "[ . 1 .]" 1
681 1 58 CYS QB 1 62 GLU HA 4.000 . 5.000 4.157 3.509 4.450 . 0 0 "[ . 1 .]" 1
682 1 58 CYS QB 1 63 SER H 3.000 . 3.500 2.789 2.068 3.300 . 0 0 "[ . 1 .]" 1
683 1 58 CYS QB 1 63 SER QB 4.000 . 6.000 3.556 2.979 4.006 . 0 0 "[ . 1 .]" 1
684 1 58 CYS QB 1 66 THR MG 4.000 . 5.000 2.380 1.837 2.678 . 0 0 "[ . 1 .]" 1
685 1 59 LYS H 1 59 LYS QG 4.000 . 5.000 2.677 2.134 4.071 . 0 0 "[ . 1 .]" 1
686 1 59 LYS HA 1 59 LYS QG 3.000 . 3.500 2.522 2.333 2.958 . 0 0 "[ . 1 .]" 1
687 1 59 LYS QB 1 59 LYS QD 2.000 . 2.700 2.266 2.099 2.346 . 0 0 "[ . 1 .]" 1
688 1 59 LYS QB 1 59 LYS QE 4.000 . 5.000 2.959 1.901 3.862 . 0 0 "[ . 1 .]" 1
689 1 59 LYS QB 1 60 ILE H 4.000 . 5.000 3.415 3.136 3.768 . 0 0 "[ . 1 .]" 1
690 1 59 LYS QE 1 59 LYS QG 3.000 . 3.500 2.295 2.138 2.370 . 0 0 "[ . 1 .]" 1
691 1 59 LYS QG 1 60 ILE H 4.000 . 6.000 4.420 4.213 4.857 . 0 0 "[ . 1 .]" 1
692 1 61 CYS HA 1 62 GLU QG 4.000 . 6.000 4.008 3.637 5.302 . 0 0 "[ . 1 .]" 1
693 1 62 GLU H 1 62 GLU QG 4.000 . 5.000 3.011 2.797 3.494 . 0 0 "[ . 1 .]" 1
694 1 65 ASN QB 1 66 THR H 4.000 . 5.000 4.005 3.982 4.049 . 0 0 "[ . 1 .]" 1
695 1 67 ALA MB 1 68 GLN QB 4.000 . 5.000 4.316 3.954 4.578 . 0 0 "[ . 1 .]" 1
696 1 68 GLN H 1 68 GLN QB 3.000 . 3.500 2.304 2.208 2.416 . 0 0 "[ . 1 .]" 1
697 1 68 GLN H 1 68 GLN QG 4.000 . 5.000 3.686 2.374 4.063 . 0 0 "[ . 1 .]" 1
698 1 68 GLN QB 1 69 ALA H 4.000 . 5.000 3.645 2.738 3.889 . 0 0 "[ . 1 .]" 1
699 1 68 GLN QG 1 69 ALA H 4.000 . 5.000 3.135 2.666 4.049 . 0 0 "[ . 1 .]" 1
700 1 74 ILE H 1 74 ILE QG 4.000 . 5.000 2.625 1.999 4.063 . 0 0 "[ . 1 .]" 1
701 1 76 LEU HA 1 77 ASP QB 4.000 . 5.000 4.272 4.000 4.667 . 0 0 "[ . 1 .]" 1
702 1 76 LEU QB 1 77 ASP QB 4.000 . 6.000 5.053 3.898 5.512 . 0 0 "[ . 1 .]" 1
703 1 76 LEU QD 1 77 ASP H 4.000 . 5.000 3.155 2.467 4.092 . 0 0 "[ . 1 .]" 1
704 1 76 LEU QD 1 77 ASP QB 4.000 . 5.000 4.562 3.854 5.112 0.112 5 0 "[ . 1 .]" 1
705 1 76 LEU QD 1 78 GLN QB 4.000 . 5.000 2.894 2.075 4.963 . 0 0 "[ . 1 .]" 1
706 1 76 LEU QD 1 78 GLN QG 4.000 . 5.000 3.312 2.212 4.129 . 0 0 "[ . 1 .]" 1
707 1 76 LEU QD 1 78 GLN QE 4.000 . 5.000 3.576 1.756 4.788 0.044 10 0 "[ . 1 .]" 1
708 1 77 ASP HA 1 77 ASP QB 2.000 . 2.700 2.342 2.181 2.437 . 0 0 "[ . 1 .]" 1
709 1 77 ASP QB 1 78 GLN H 4.000 . 5.000 3.559 2.563 4.054 . 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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 36 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 47 SER 0.000 0.000 . 0 "[ . 1 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 67 ALA 0.000 0.000 . 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 36 VAL H 1 49 VAL O 2.000 . 2.300 1.954 1.859 2.067 . 0 0 "[ . 1 .]" 2
2 1 36 VAL N 1 49 VAL O 3.000 2.700 3.300 2.852 2.779 2.920 . 0 0 "[ . 1 .]" 2
3 1 38 ILE H 1 47 SER O 2.000 . 2.300 2.082 1.968 2.209 . 0 0 "[ . 1 .]" 2
4 1 38 ILE N 1 47 SER O 3.000 2.700 3.300 3.044 2.928 3.148 . 0 0 "[ . 1 .]" 2
5 1 39 LEU H 1 67 ALA O 2.000 . 2.300 1.910 1.838 2.078 . 0 0 "[ . 1 .]" 2
6 1 39 LEU N 1 67 ALA O 3.000 2.700 3.300 2.851 2.801 2.895 . 0 0 "[ . 1 .]" 2
stop_
save_
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