NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408363 |
1ywl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ywl
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 901
_Distance_constraint_stats_list.Viol_count 113
_Distance_constraint_stats_list.Viol_total 39.371
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0348
_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 2 GLU 0.000 0.000 . 0 "[ . 1]"
1 3 ASN 0.480 0.132 4 0 "[ . 1]"
1 4 LYS 0.008 0.008 10 0 "[ . 1]"
1 5 LYS 0.170 0.081 8 0 "[ . 1]"
1 6 SER 0.006 0.006 7 0 "[ . 1]"
1 7 HIS 0.015 0.015 4 0 "[ . 1]"
1 8 TYR 0.000 0.000 . 0 "[ . 1]"
1 9 PHE 0.007 0.005 5 0 "[ . 1]"
1 10 TYR 0.027 0.027 4 0 "[ . 1]"
1 11 VAL 0.012 0.012 4 0 "[ . 1]"
1 12 LEU 0.016 0.016 9 0 "[ . 1]"
1 13 LEU 0.000 0.000 . 0 "[ . 1]"
1 14 CYS 0.003 0.002 1 0 "[ . 1]"
1 15 GLN 0.000 0.000 . 0 "[ . 1]"
1 16 ASP 0.000 0.000 . 0 "[ . 1]"
1 17 GLY 0.000 0.000 . 0 "[ . 1]"
1 18 SER 0.001 0.001 9 0 "[ . 1]"
1 19 PHE 0.002 0.002 1 0 "[ . 1]"
1 20 TYR 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 0.000 0.000 . 0 "[ . 1]"
1 22 GLY 0.000 0.000 . 0 "[ . 1]"
1 23 TYR 0.000 0.000 . 0 "[ . 1]"
1 24 THR 0.000 0.000 . 0 "[ . 1]"
1 25 THR 0.509 0.132 4 0 "[ . 1]"
1 26 GLU 0.164 0.045 4 0 "[ . 1]"
1 27 PRO 0.094 0.020 10 0 "[ . 1]"
1 28 GLU 0.015 0.008 10 0 "[ . 1]"
1 29 ARG 0.266 0.071 9 0 "[ . 1]"
1 30 ARG 1.035 0.150 6 0 "[ . 1]"
1 31 LEU 1.114 0.150 6 0 "[ . 1]"
1 32 THR 0.000 0.000 . 0 "[ . 1]"
1 33 GLU 0.000 0.000 . 0 "[ . 1]"
1 34 HIS 0.002 0.002 8 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
1 36 SER 0.000 0.000 . 0 "[ . 1]"
1 37 GLY 0.000 0.000 . 0 "[ . 1]"
1 38 THR 0.002 0.002 8 0 "[ . 1]"
1 39 GLY 0.000 0.000 . 0 "[ . 1]"
1 40 ALA 0.000 0.000 . 0 "[ . 1]"
1 41 LYS 0.000 0.000 . 0 "[ . 1]"
1 45 LEU 0.000 0.000 . 0 "[ . 1]"
1 46 ALA 0.000 0.000 . 0 "[ . 1]"
1 47 LYS 0.000 0.000 . 0 "[ . 1]"
1 48 ARG 0.000 0.000 . 0 "[ . 1]"
1 50 PRO 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 0.000 0.000 . 0 "[ . 1]"
1 53 MET 0.093 0.052 9 0 "[ . 1]"
1 54 ILE 0.069 0.041 9 0 "[ . 1]"
1 55 HIS 0.454 0.167 5 0 "[ . 1]"
1 56 THR 0.000 0.000 . 0 "[ . 1]"
1 57 GLU 0.007 0.005 5 0 "[ . 1]"
1 58 LYS 0.000 0.000 . 0 "[ . 1]"
1 59 PHE 0.002 0.002 7 0 "[ . 1]"
1 60 GLU 0.006 0.006 7 0 "[ . 1]"
1 61 THR 0.017 0.014 9 0 "[ . 1]"
1 62 ARG 0.015 0.014 9 0 "[ . 1]"
1 63 SER 0.000 0.000 . 0 "[ . 1]"
1 64 GLU 0.000 0.000 . 0 "[ . 1]"
1 65 ALA 0.000 0.000 . 0 "[ . 1]"
1 66 THR 0.000 0.000 . 0 "[ . 1]"
1 67 LYS 0.008 0.008 3 0 "[ . 1]"
1 68 ALA 0.008 0.008 3 0 "[ . 1]"
1 69 GLU 0.000 0.000 . 0 "[ . 1]"
1 70 ALA 0.024 0.008 10 0 "[ . 1]"
1 71 ALA 0.000 0.000 . 0 "[ . 1]"
1 72 PHE 0.000 0.000 . 0 "[ . 1]"
1 73 LYS 0.030 0.009 3 0 "[ . 1]"
1 74 LYS 0.024 0.008 10 0 "[ . 1]"
1 75 LEU 0.000 0.000 . 0 "[ . 1]"
1 76 THR 0.880 0.155 6 0 "[ . 1]"
1 77 ARG 0.000 0.000 . 0 "[ . 1]"
1 78 LYS 0.937 0.155 6 0 "[ . 1]"
1 79 GLN 0.000 0.000 . 0 "[ . 1]"
1 80 LYS 0.038 0.009 3 0 "[ . 1]"
1 81 GLU 0.102 0.027 4 0 "[ . 1]"
1 82 GLN 0.199 0.046 4 0 "[ . 1]"
1 83 TYR 0.152 0.046 4 0 "[ . 1]"
1 84 LEU 0.000 0.000 . 0 "[ . 1]"
1 85 LYS 0.144 0.078 3 0 "[ . 1]"
1 86 THR 0.144 0.078 3 0 "[ . 1]"
1 87 PHE 0.000 0.000 7 0 "[ . 1]"
1 88 HIS 0.000 0.000 7 0 "[ . 1]"
1 89 LEU 0.000 0.000 . 0 "[ . 1]"
1 90 GLU 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 2 GLU QB 1 3 ASN HD21 . . 6.000 4.215 2.425 5.191 . 0 0 "[ . 1]" 1
2 1 2 GLU QB 1 3 ASN HD22 . . 6.000 4.372 3.538 5.171 . 0 0 "[ . 1]" 1
3 1 2 GLU QB 1 26 GLU QG . . 7.000 3.774 1.776 5.009 . 0 0 "[ . 1]" 1
4 1 2 GLU HA 1 3 ASN H . . 5.000 2.565 2.213 2.823 . 0 0 "[ . 1]" 1
5 1 2 GLU HA 1 3 ASN HA . . 5.000 4.469 4.259 4.753 . 0 0 "[ . 1]" 1
6 1 3 ASN H 1 25 THR HB . . 5.000 4.411 4.277 4.530 . 0 0 "[ . 1]" 1
7 1 3 ASN H 1 26 GLU HA . . 2.900 2.847 2.514 2.933 0.033 2 0 "[ . 1]" 1
8 1 3 ASN HA 1 4 LYS H . . 3.500 2.477 2.257 3.030 . 0 0 "[ . 1]" 1
9 1 3 ASN HA 1 4 LYS HA . . 5.000 4.505 4.335 4.938 . 0 0 "[ . 1]" 1
10 1 3 ASN HA 1 25 THR HB . . 3.500 3.382 1.992 3.632 0.132 4 0 "[ . 1]" 1
11 1 3 ASN HA 1 26 GLU QB . . 6.000 4.140 2.452 5.126 . 0 0 "[ . 1]" 1
12 1 3 ASN QB 1 4 LYS H . . 6.000 3.043 2.023 3.903 . 0 0 "[ . 1]" 1
13 1 3 ASN HD21 1 26 GLU HA . . 5.000 3.958 2.039 5.045 0.045 4 0 "[ . 1]" 1
14 1 3 ASN HD22 1 26 GLU HA . . 5.000 4.264 2.851 4.954 . 0 0 "[ . 1]" 1
15 1 4 LYS H 1 26 GLU QG . . 6.000 3.869 2.235 5.184 . 0 0 "[ . 1]" 1
16 1 4 LYS HA 1 5 LYS H . . 2.900 2.429 2.177 2.908 0.008 10 0 "[ . 1]" 1
17 1 4 LYS HB2 1 5 LYS H . . 5.000 4.372 3.849 4.689 . 0 0 "[ . 1]" 1
18 1 4 LYS HB3 1 5 LYS H . . 5.000 4.300 3.065 4.702 . 0 0 "[ . 1]" 1
19 1 4 LYS HB2 1 26 GLU QG . . 6.000 4.686 3.529 5.383 . 0 0 "[ . 1]" 1
20 1 4 LYS HB3 1 26 GLU QG . . 6.000 5.059 2.781 5.457 . 0 0 "[ . 1]" 1
21 1 4 LYS QG 1 5 LYS H . . 6.000 3.093 1.937 4.237 . 0 0 "[ . 1]" 1
22 1 4 LYS QG 1 5 LYS HA . . 6.000 4.281 3.512 4.963 . 0 0 "[ . 1]" 1
23 1 4 LYS QG 1 5 LYS QB . . 7.000 3.476 2.575 4.291 . 0 0 "[ . 1]" 1
24 1 5 LYS H 1 5 LYS QD . . 6.000 4.286 2.287 5.089 . 0 0 "[ . 1]" 1
25 1 5 LYS H 1 5 LYS QE . . 6.000 4.642 3.646 5.314 . 0 0 "[ . 1]" 1
26 1 5 LYS H 1 25 THR MG . . 6.000 3.585 2.309 4.819 . 0 0 "[ . 1]" 1
27 1 5 LYS HA 1 6 SER H . . 2.900 2.429 2.176 2.806 . 0 0 "[ . 1]" 1
28 1 5 LYS HA 1 25 THR HB . . 5.000 4.707 3.700 5.081 0.081 8 0 "[ . 1]" 1
29 1 5 LYS QB 1 6 SER H . . 6.000 2.945 2.054 4.003 . 0 0 "[ . 1]" 1
30 1 5 LYS QG 1 6 SER H . . 6.000 3.212 2.300 4.445 . 0 0 "[ . 1]" 1
31 1 6 SER H 1 7 HIS H . . 5.000 4.289 3.285 4.660 . 0 0 "[ . 1]" 1
32 1 6 SER HA 1 7 HIS H . . 3.500 2.622 2.232 3.058 . 0 0 "[ . 1]" 1
33 1 6 SER HA 1 60 GLU HA . . 5.000 3.196 2.009 4.420 . 0 0 "[ . 1]" 1
34 1 6 SER HB2 1 7 HIS H . . 5.000 3.051 2.088 4.526 . 0 0 "[ . 1]" 1
35 1 6 SER HB3 1 7 HIS H . . 5.000 3.365 1.995 4.403 . 0 0 "[ . 1]" 1
36 1 6 SER QB 1 58 LYS QG . . 7.000 4.508 2.623 5.628 . 0 0 "[ . 1]" 1
37 1 6 SER QB 1 59 PHE QB . . 7.000 4.754 3.911 5.418 . 0 0 "[ . 1]" 1
38 1 6 SER HB2 1 60 GLU HA . . 5.000 3.330 2.000 5.006 0.006 7 0 "[ . 1]" 1
39 1 6 SER HB3 1 60 GLU HA . . 5.000 3.345 2.000 4.595 . 0 0 "[ . 1]" 1
40 1 6 SER HB2 1 8 TYR QE . . 7.000 3.806 2.238 5.265 . 0 0 "[ . 1]" 1
41 1 6 SER HB3 1 8 TYR QE . . 7.000 3.990 2.562 5.010 . 0 0 "[ . 1]" 1
42 1 7 HIS H 1 59 PHE H . . 5.000 3.404 3.008 4.039 . 0 0 "[ . 1]" 1
43 1 7 HIS H 1 65 ALA MB . . 6.000 4.841 4.689 4.929 . 0 0 "[ . 1]" 1
44 1 7 HIS HA 1 7 HIS HD2 . . 5.000 2.989 2.060 3.753 . 0 0 "[ . 1]" 1
45 1 7 HIS HA 1 8 TYR H . . 3.500 2.204 2.187 2.232 . 0 0 "[ . 1]" 1
46 1 7 HIS HA 1 8 TYR QB . . 6.000 4.020 3.879 4.274 . 0 0 "[ . 1]" 1
47 1 7 HIS HA 1 23 TYR QB . . 6.000 4.365 3.580 5.048 . 0 0 "[ . 1]" 1
48 1 7 HIS HA 1 25 THR HA . . 5.000 4.651 3.718 5.015 0.015 4 0 "[ . 1]" 1
49 1 7 HIS HA 1 25 THR MG . . 6.000 2.606 1.982 3.070 . 0 0 "[ . 1]" 1
50 1 7 HIS HB2 1 8 TYR H . . 5.000 4.367 3.965 4.541 . 0 0 "[ . 1]" 1
51 1 7 HIS HB3 1 8 TYR H . . 5.000 3.577 3.324 3.939 . 0 0 "[ . 1]" 1
52 1 7 HIS HB2 1 65 ALA MB . . 6.000 3.210 2.917 3.610 . 0 0 "[ . 1]" 1
53 1 7 HIS HB3 1 65 ALA MB . . 6.000 3.882 2.890 4.338 . 0 0 "[ . 1]" 1
54 1 7 HIS QB 1 23 TYR QD . . 8.000 3.092 1.899 4.967 . 0 0 "[ . 1]" 1
55 1 7 HIS HD2 1 25 THR MG . . 6.000 3.344 1.932 4.847 . 0 0 "[ . 1]" 1
56 1 8 TYR H 1 24 THR H . . 5.000 2.833 2.526 3.063 . 0 0 "[ . 1]" 1
57 1 8 TYR H 1 25 THR HA . . 5.000 3.778 3.549 4.093 . 0 0 "[ . 1]" 1
58 1 8 TYR H 1 25 THR MG . . 6.000 3.010 1.931 4.387 . 0 0 "[ . 1]" 1
59 1 8 TYR HA 1 9 PHE H . . 3.500 2.200 2.187 2.221 . 0 0 "[ . 1]" 1
60 1 8 TYR HA 1 57 GLU H . . 5.000 4.685 4.418 4.998 . 0 0 "[ . 1]" 1
61 1 8 TYR HA 1 58 LYS HA . . 5.000 2.306 1.998 2.608 . 0 0 "[ . 1]" 1
62 1 8 TYR HA 1 59 PHE H . . 5.000 3.358 2.901 3.682 . 0 0 "[ . 1]" 1
63 1 8 TYR HB2 1 9 PHE H . . 5.000 4.518 4.386 4.647 . 0 0 "[ . 1]" 1
64 1 8 TYR HB3 1 9 PHE H . . 5.000 3.645 3.367 3.983 . 0 0 "[ . 1]" 1
65 1 8 TYR QB 1 24 THR H . . 6.000 3.449 3.093 3.908 . 0 0 "[ . 1]" 1
66 1 8 TYR QB 1 24 THR MG . . 7.000 4.291 4.009 4.707 . 0 0 "[ . 1]" 1
67 1 8 TYR QB 1 10 TYR QD . . 8.000 3.448 1.989 4.354 . 0 0 "[ . 1]" 1
68 1 9 PHE H 1 57 GLU H . . 3.500 3.351 2.952 3.505 0.005 5 0 "[ . 1]" 1
69 1 9 PHE H 1 58 LYS HA . . 5.000 3.208 2.184 3.715 . 0 0 "[ . 1]" 1
70 1 9 PHE H 1 59 PHE QD . . 7.000 4.104 3.400 5.175 . 0 0 "[ . 1]" 1
71 1 9 PHE H 1 59 PHE QE . . 7.000 3.984 2.615 4.824 . 0 0 "[ . 1]" 1
72 1 9 PHE HA 1 10 TYR H . . 3.500 2.201 2.193 2.245 . 0 0 "[ . 1]" 1
73 1 9 PHE HA 1 23 TYR HA . . 5.000 2.385 1.995 3.037 . 0 0 "[ . 1]" 1
74 1 9 PHE QB 1 56 THR HA . . 6.000 4.717 3.896 5.038 . 0 0 "[ . 1]" 1
75 1 9 PHE HB2 1 57 GLU H . . 5.000 4.633 3.945 5.002 0.002 1 0 "[ . 1]" 1
76 1 9 PHE HB3 1 57 GLU H . . 5.000 3.355 2.750 3.742 . 0 0 "[ . 1]" 1
77 1 9 PHE QB 1 57 GLU HB2 . . 6.000 2.511 2.017 3.877 . 0 0 "[ . 1]" 1
78 1 9 PHE QB 1 57 GLU HB3 . . 6.000 2.526 1.802 3.585 . 0 0 "[ . 1]" 1
79 1 9 PHE HB2 1 68 ALA MB . . 6.000 4.482 4.120 4.705 . 0 0 "[ . 1]" 1
80 1 9 PHE HB3 1 68 ALA MB . . 6.000 4.895 4.638 5.006 . 0 0 "[ . 1]" 1
81 1 9 PHE HB2 1 59 PHE QD . . 7.000 3.527 2.836 4.921 . 0 0 "[ . 1]" 1
82 1 9 PHE HB3 1 59 PHE QD . . 7.000 4.656 4.055 5.431 . 0 0 "[ . 1]" 1
83 1 10 TYR H 1 22 GLY H . . 5.000 2.785 2.607 3.070 . 0 0 "[ . 1]" 1
84 1 10 TYR HA 1 11 VAL H . . 3.500 2.259 2.188 2.575 . 0 0 "[ . 1]" 1
85 1 10 TYR HA 1 11 VAL HB . . 5.000 4.518 4.257 4.758 . 0 0 "[ . 1]" 1
86 1 10 TYR HA 1 11 VAL MG2 . . 6.000 3.588 3.301 4.460 . 0 0 "[ . 1]" 1
87 1 10 TYR HA 1 55 HIS H . . 5.000 4.790 4.279 5.027 0.027 4 0 "[ . 1]" 1
88 1 10 TYR HA 1 56 THR HA . . 5.000 3.072 2.346 3.512 . 0 0 "[ . 1]" 1
89 1 10 TYR HA 1 56 THR MG . . 6.000 3.686 2.780 4.349 . 0 0 "[ . 1]" 1
90 1 10 TYR HA 1 57 GLU H . . 5.000 3.850 3.505 4.171 . 0 0 "[ . 1]" 1
91 1 10 TYR HB2 1 11 VAL H . . 5.000 3.503 2.322 4.671 . 0 0 "[ . 1]" 1
92 1 10 TYR HB3 1 11 VAL H . . 5.000 4.149 3.664 4.517 . 0 0 "[ . 1]" 1
93 1 10 TYR QB 1 53 MET HG2 . . 6.000 3.643 2.626 5.089 . 0 0 "[ . 1]" 1
94 1 10 TYR QB 1 53 MET HG3 . . 6.000 3.560 3.070 4.012 . 0 0 "[ . 1]" 1
95 1 10 TYR HB2 1 53 MET ME . . 6.000 3.101 2.272 4.559 . 0 0 "[ . 1]" 1
96 1 10 TYR HB3 1 53 MET ME . . 6.000 3.690 3.219 4.007 . 0 0 "[ . 1]" 1
97 1 10 TYR HB2 1 56 THR MG . . 6.000 4.367 3.690 4.765 . 0 0 "[ . 1]" 1
98 1 10 TYR HB3 1 56 THR MG . . 6.000 4.295 3.663 4.727 . 0 0 "[ . 1]" 1
99 1 11 VAL H 1 55 HIS H . . 5.000 3.361 2.800 3.658 . 0 0 "[ . 1]" 1
100 1 11 VAL H 1 55 HIS QB . . 6.000 2.706 2.051 3.566 . 0 0 "[ . 1]" 1
101 1 11 VAL H 1 56 THR HA . . 5.000 4.312 3.276 4.830 . 0 0 "[ . 1]" 1
102 1 11 VAL H 1 56 THR MG . . 6.000 4.274 3.790 4.819 . 0 0 "[ . 1]" 1
103 1 11 VAL HA 1 12 LEU H . . 3.500 2.254 2.184 2.382 . 0 0 "[ . 1]" 1
104 1 11 VAL HA 1 21 GLY HA2 . . 5.000 2.336 2.064 2.844 . 0 0 "[ . 1]" 1
105 1 11 VAL HA 1 21 GLY HA3 . . 5.000 3.258 1.998 4.457 . 0 0 "[ . 1]" 1
106 1 11 VAL HA 1 22 GLY H . . 5.000 3.784 3.090 4.025 . 0 0 "[ . 1]" 1
107 1 11 VAL HB 1 54 ILE H . . 5.000 3.825 2.934 5.012 0.012 4 0 "[ . 1]" 1
108 1 11 VAL HB 1 54 ILE MD . . 6.000 2.608 1.939 3.638 . 0 0 "[ . 1]" 1
109 1 11 VAL HB 1 55 HIS H . . 5.000 3.183 2.109 3.700 . 0 0 "[ . 1]" 1
110 1 11 VAL HB 1 55 HIS HB2 . . 5.000 1.991 1.972 2.000 . 0 0 "[ . 1]" 1
111 1 11 VAL HB 1 55 HIS HB3 . . 5.000 3.078 2.047 3.658 . 0 0 "[ . 1]" 1
112 1 11 VAL HB 1 84 LEU MD2 . . 6.000 4.424 3.911 4.883 . 0 0 "[ . 1]" 1
113 1 11 VAL MG1 1 12 LEU H . . 6.000 2.908 1.942 3.558 . 0 0 "[ . 1]" 1
114 1 11 VAL MG1 1 12 LEU HA . . 6.000 4.012 3.135 4.516 . 0 0 "[ . 1]" 1
115 1 11 VAL MG1 1 19 PHE HA . . 6.000 3.033 2.449 3.557 . 0 0 "[ . 1]" 1
116 1 11 VAL MG1 1 19 PHE HB2 . . 6.000 4.284 3.580 4.887 . 0 0 "[ . 1]" 1
117 1 11 VAL MG1 1 19 PHE HB3 . . 6.000 2.928 2.111 3.617 . 0 0 "[ . 1]" 1
118 1 11 VAL MG1 1 20 TYR H . . 6.000 2.992 2.491 3.526 . 0 0 "[ . 1]" 1
119 1 11 VAL MG2 1 21 GLY HA2 . . 6.000 2.903 1.874 3.818 . 0 0 "[ . 1]" 1
120 1 11 VAL MG2 1 21 GLY HA3 . . 6.000 2.744 2.262 3.696 . 0 0 "[ . 1]" 1
121 1 11 VAL MG2 1 22 GLY H . . 6.000 3.992 3.404 4.399 . 0 0 "[ . 1]" 1
122 1 11 VAL MG2 1 54 ILE QG . . 7.000 4.640 3.976 5.100 . 0 0 "[ . 1]" 1
123 1 11 VAL MG1 1 54 ILE MD . . 7.000 2.186 1.810 2.575 . 0 0 "[ . 1]" 1
124 1 11 VAL MG2 1 54 ILE MD . . 7.000 3.673 3.222 4.153 . 0 0 "[ . 1]" 1
125 1 11 VAL MG1 1 55 HIS H . . 6.000 4.209 2.902 4.966 . 0 0 "[ . 1]" 1
126 1 11 VAL MG2 1 55 HIS H . . 6.000 4.284 3.712 4.894 . 0 0 "[ . 1]" 1
127 1 11 VAL MG1 1 55 HIS QB . . 7.000 3.106 1.939 3.564 . 0 0 "[ . 1]" 1
128 1 11 VAL MG2 1 55 HIS QB . . 7.000 2.093 1.824 3.039 . 0 0 "[ . 1]" 1
129 1 11 VAL MG2 1 80 LYS QG . . 7.000 4.494 4.042 4.836 . 0 0 "[ . 1]" 1
130 1 11 VAL MG1 1 84 LEU MD1 . . 7.000 4.335 4.002 4.637 . 0 0 "[ . 1]" 1
131 1 11 VAL MG1 1 84 LEU MD2 . . 7.000 4.475 3.985 4.668 . 0 0 "[ . 1]" 1
132 1 11 VAL MG2 1 84 LEU MD2 . . 7.000 3.433 2.575 4.512 . 0 0 "[ . 1]" 1
133 1 11 VAL MG2 1 72 PHE HZ . . 6.000 3.038 2.119 4.388 . 0 0 "[ . 1]" 1
134 1 12 LEU H 1 20 TYR H . . 5.000 3.089 2.101 4.134 . 0 0 "[ . 1]" 1
135 1 12 LEU HA 1 13 LEU H . . 3.500 2.274 2.179 2.371 . 0 0 "[ . 1]" 1
136 1 12 LEU HA 1 52 ILE H . . 5.000 3.927 3.630 4.430 . 0 0 "[ . 1]" 1
137 1 12 LEU HA 1 53 MET HA . . 5.000 3.029 2.587 3.508 . 0 0 "[ . 1]" 1
138 1 12 LEU HA 1 54 ILE H . . 5.000 4.177 3.755 5.016 0.016 9 0 "[ . 1]" 1
139 1 12 LEU HA 1 54 ILE MD . . 6.000 4.098 3.318 4.922 . 0 0 "[ . 1]" 1
140 1 12 LEU QB 1 13 LEU H . . 6.000 3.042 2.659 3.382 . 0 0 "[ . 1]" 1
141 1 12 LEU QB 1 20 TYR H . . 6.000 3.932 2.969 5.207 . 0 0 "[ . 1]" 1
142 1 12 LEU QB 1 51 VAL HB . . 6.000 2.436 2.031 3.106 . 0 0 "[ . 1]" 1
143 1 12 LEU QB 1 52 ILE H . . 6.000 3.883 3.415 4.696 . 0 0 "[ . 1]" 1
144 1 12 LEU HG 1 53 MET ME . . 6.000 3.699 2.297 4.576 . 0 0 "[ . 1]" 1
145 1 12 LEU QD 1 13 LEU H . . 7.400 3.287 2.265 4.483 . 0 0 "[ . 1]" 1
146 1 12 LEU QD 1 20 TYR QB . . 8.400 2.956 1.789 4.482 . 0 0 "[ . 1]" 1
147 1 12 LEU QD 1 31 LEU MD1 . . 8.400 2.846 1.788 4.150 . 0 0 "[ . 1]" 1
148 1 12 LEU QD 1 31 LEU MD2 . . 8.400 3.885 2.573 5.052 . 0 0 "[ . 1]" 1
149 1 12 LEU MD1 1 51 VAL HB . . 6.000 3.086 2.021 4.150 . 0 0 "[ . 1]" 1
150 1 12 LEU MD2 1 51 VAL HB . . 6.000 2.501 1.896 4.052 . 0 0 "[ . 1]" 1
151 1 12 LEU MD1 1 51 VAL MG1 . . 7.000 3.159 1.943 4.246 . 0 0 "[ . 1]" 1
152 1 12 LEU MD1 1 51 VAL MG2 . . 7.000 3.614 2.479 4.845 . 0 0 "[ . 1]" 1
153 1 12 LEU MD2 1 51 VAL MG1 . . 7.000 3.142 1.937 4.283 . 0 0 "[ . 1]" 1
154 1 12 LEU MD2 1 51 VAL MG2 . . 7.000 3.081 2.082 4.546 . 0 0 "[ . 1]" 1
155 1 12 LEU QD 1 52 ILE H . . 7.400 3.592 2.605 4.918 . 0 0 "[ . 1]" 1
156 1 12 LEU QD 1 53 MET HA . . 7.400 3.639 2.401 4.799 . 0 0 "[ . 1]" 1
157 1 12 LEU QD 1 53 MET QB . . 8.400 4.187 2.249 5.555 . 0 0 "[ . 1]" 1
158 1 12 LEU QD 1 53 MET HG2 . . 7.400 4.413 3.287 5.176 . 0 0 "[ . 1]" 1
159 1 12 LEU QD 1 53 MET HG3 . . 7.400 3.321 2.085 4.481 . 0 0 "[ . 1]" 1
160 1 12 LEU QD 1 53 MET ME . . 8.400 2.418 1.650 4.162 . 0 0 "[ . 1]" 1
161 1 13 LEU H 1 13 LEU HG . . 5.000 4.270 3.676 4.539 . 0 0 "[ . 1]" 1
162 1 13 LEU H 1 52 ILE H . . 5.000 2.342 2.159 2.636 . 0 0 "[ . 1]" 1
163 1 13 LEU H 1 52 ILE HG12 . . 5.000 3.278 2.755 4.438 . 0 0 "[ . 1]" 1
164 1 13 LEU H 1 52 ILE HG13 . . 5.000 3.238 2.597 3.861 . 0 0 "[ . 1]" 1
165 1 13 LEU H 1 52 ILE MD . . 6.000 4.434 4.145 4.695 . 0 0 "[ . 1]" 1
166 1 13 LEU H 1 53 MET HA . . 5.000 4.081 3.751 4.425 . 0 0 "[ . 1]" 1
167 1 13 LEU H 1 54 ILE MD . . 6.000 4.171 3.313 4.946 . 0 0 "[ . 1]" 1
168 1 13 LEU HA 1 14 CYS H . . 3.500 2.244 2.179 2.325 . 0 0 "[ . 1]" 1
169 1 13 LEU HA 1 19 PHE HA . . 5.000 3.131 2.866 3.306 . 0 0 "[ . 1]" 1
170 1 13 LEU HA 1 52 ILE QG . . 6.000 4.356 4.022 4.675 . 0 0 "[ . 1]" 1
171 1 13 LEU HA 1 54 ILE MD . . 6.000 4.510 3.657 4.928 . 0 0 "[ . 1]" 1
172 1 13 LEU QB 1 14 CYS H . . 6.000 3.657 3.537 3.832 . 0 0 "[ . 1]" 1
173 1 13 LEU QB 1 52 ILE H . . 6.000 3.488 3.139 3.844 . 0 0 "[ . 1]" 1
174 1 13 LEU HB2 1 52 ILE QG . . 6.000 3.620 3.251 3.959 . 0 0 "[ . 1]" 1
175 1 13 LEU HB3 1 52 ILE QG . . 6.000 2.109 1.828 2.620 . 0 0 "[ . 1]" 1
176 1 13 LEU HB2 1 52 ILE MD . . 6.000 4.222 3.878 4.684 . 0 0 "[ . 1]" 1
177 1 13 LEU HB3 1 52 ILE MD . . 6.000 3.087 2.644 3.537 . 0 0 "[ . 1]" 1
178 1 13 LEU HB2 1 54 ILE MG . . 6.000 3.861 2.554 4.744 . 0 0 "[ . 1]" 1
179 1 13 LEU HB3 1 54 ILE MG . . 6.000 3.259 2.530 4.110 . 0 0 "[ . 1]" 1
180 1 13 LEU HB2 1 54 ILE MD . . 6.000 3.094 2.207 3.719 . 0 0 "[ . 1]" 1
181 1 13 LEU HB3 1 54 ILE MD . . 6.000 3.359 2.290 4.333 . 0 0 "[ . 1]" 1
182 1 13 LEU HG 1 14 CYS H . . 5.000 2.865 2.126 4.087 . 0 0 "[ . 1]" 1
183 1 13 LEU HG 1 14 CYS HA . . 5.000 4.248 3.904 4.408 . 0 0 "[ . 1]" 1
184 1 13 LEU MD1 1 14 CYS H . . 6.000 3.508 2.053 4.336 . 0 0 "[ . 1]" 1
185 1 13 LEU MD2 1 14 CYS H . . 6.000 3.678 2.958 5.047 . 0 0 "[ . 1]" 1
186 1 13 LEU MD1 1 17 GLY H . . 6.000 4.158 2.900 4.910 . 0 0 "[ . 1]" 1
187 1 13 LEU MD1 1 17 GLY HA2 . . 6.000 2.593 2.005 3.144 . 0 0 "[ . 1]" 1
188 1 13 LEU MD1 1 17 GLY HA3 . . 6.000 3.750 2.951 4.346 . 0 0 "[ . 1]" 1
189 1 13 LEU MD1 1 18 SER H . . 6.000 4.035 2.479 4.903 . 0 0 "[ . 1]" 1
190 1 13 LEU MD2 1 52 ILE H . . 6.000 3.629 2.631 4.951 . 0 0 "[ . 1]" 1
191 1 13 LEU MD1 1 52 ILE QG . . 7.000 3.434 3.094 3.668 . 0 0 "[ . 1]" 1
192 1 13 LEU MD2 1 52 ILE QG . . 7.000 2.123 1.759 2.612 . 0 0 "[ . 1]" 1
193 1 13 LEU MD1 1 52 ILE MG . . 7.000 4.666 4.595 4.715 . 0 0 "[ . 1]" 1
194 1 13 LEU MD2 1 52 ILE MG . . 7.000 3.158 2.654 4.142 . 0 0 "[ . 1]" 1
195 1 13 LEU MD1 1 52 ILE MD . . 7.000 3.131 2.501 3.947 . 0 0 "[ . 1]" 1
196 1 13 LEU MD2 1 52 ILE MD . . 7.000 2.073 1.742 2.811 . 0 0 "[ . 1]" 1
197 1 13 LEU MD1 1 54 ILE MG . . 7.000 3.554 1.977 4.737 . 0 0 "[ . 1]" 1
198 1 13 LEU MD1 1 19 PHE QE . . 8.000 3.036 2.261 4.200 . 0 0 "[ . 1]" 1
199 1 13 LEU MD1 1 19 PHE HZ . . 6.000 3.791 2.745 4.643 . 0 0 "[ . 1]" 1
200 1 14 CYS H 1 18 SER H . . 5.000 2.335 2.094 2.783 . 0 0 "[ . 1]" 1
201 1 14 CYS H 1 19 PHE HA . . 5.000 4.592 4.295 5.002 0.002 1 0 "[ . 1]" 1
202 1 14 CYS HA 1 15 GLN H . . 5.000 2.627 2.447 2.940 . 0 0 "[ . 1]" 1
203 1 14 CYS HA 1 15 GLN QB . . 6.000 4.562 4.278 4.917 . 0 0 "[ . 1]" 1
204 1 14 CYS HA 1 51 VAL HA . . 5.000 3.342 2.611 3.773 . 0 0 "[ . 1]" 1
205 1 14 CYS HA 1 51 VAL MG1 . . 6.000 3.743 3.225 4.244 . 0 0 "[ . 1]" 1
206 1 14 CYS HA 1 52 ILE H . . 5.000 4.230 3.631 4.479 . 0 0 "[ . 1]" 1
207 1 14 CYS QB 1 16 ASP H . . 6.000 2.770 2.372 3.304 . 0 0 "[ . 1]" 1
208 1 14 CYS HB2 1 18 SER H . . 5.000 2.994 2.039 4.978 . 0 0 "[ . 1]" 1
209 1 14 CYS HB3 1 18 SER H . . 5.000 3.847 2.864 5.001 0.001 9 0 "[ . 1]" 1
210 1 14 CYS QB 1 50 PRO QD . . 7.000 3.952 2.651 4.766 . 0 0 "[ . 1]" 1
211 1 14 CYS QB 1 51 VAL MG1 . . 7.000 4.164 3.151 4.912 . 0 0 "[ . 1]" 1
212 1 15 GLN H 1 15 GLN HG2 . . 5.000 3.332 1.968 4.618 . 0 0 "[ . 1]" 1
213 1 15 GLN H 1 15 GLN HG3 . . 5.000 3.769 3.142 4.435 . 0 0 "[ . 1]" 1
214 1 15 GLN HA 1 15 GLN HE21 . . 5.000 4.093 3.046 4.847 . 0 0 "[ . 1]" 1
215 1 15 GLN HA 1 15 GLN HE22 . . 5.000 4.559 3.925 5.000 . 0 0 "[ . 1]" 1
216 1 15 GLN HA 1 16 ASP H . . 5.000 3.574 3.384 3.646 . 0 0 "[ . 1]" 1
217 1 15 GLN HA 1 17 GLY H . . 5.000 3.910 3.331 4.405 . 0 0 "[ . 1]" 1
218 1 15 GLN QB 1 16 ASP H . . 6.000 2.764 2.148 3.523 . 0 0 "[ . 1]" 1
219 1 15 GLN QB 1 50 PRO QD . . 7.000 3.028 1.950 5.218 . 0 0 "[ . 1]" 1
220 1 15 GLN QG 1 50 PRO QB . . 7.000 4.341 3.103 5.408 . 0 0 "[ . 1]" 1
221 1 15 GLN QG 1 50 PRO QG . . 7.000 2.656 1.930 3.641 . 0 0 "[ . 1]" 1
222 1 15 GLN HG2 1 50 PRO QD . . 6.000 3.435 2.158 5.292 . 0 0 "[ . 1]" 1
223 1 15 GLN HG3 1 50 PRO QD . . 6.000 3.626 2.093 5.062 . 0 0 "[ . 1]" 1
224 1 15 GLN QE 1 50 PRO QB . . 7.000 3.789 2.194 5.029 . 0 0 "[ . 1]" 1
225 1 15 GLN HE21 1 50 PRO QG . . 6.000 2.623 1.868 3.367 . 0 0 "[ . 1]" 1
226 1 15 GLN HE22 1 50 PRO QG . . 6.000 3.501 2.495 4.834 . 0 0 "[ . 1]" 1
227 1 15 GLN HE21 1 50 PRO QD . . 6.000 3.778 2.142 5.094 . 0 0 "[ . 1]" 1
228 1 15 GLN HE22 1 50 PRO QD . . 6.000 4.647 2.050 5.395 . 0 0 "[ . 1]" 1
229 1 16 ASP H 1 17 GLY H . . 3.500 2.710 2.540 2.928 . 0 0 "[ . 1]" 1
230 1 16 ASP H 1 18 SER H . . 5.000 4.146 3.559 4.648 . 0 0 "[ . 1]" 1
231 1 16 ASP HA 1 17 GLY H . . 5.000 3.461 2.925 3.624 . 0 0 "[ . 1]" 1
232 1 17 GLY H 1 18 SER H . . 3.500 2.337 1.964 3.146 . 0 0 "[ . 1]" 1
233 1 17 GLY HA2 1 18 SER H . . 5.000 2.826 2.590 3.002 . 0 0 "[ . 1]" 1
234 1 17 GLY HA3 1 18 SER H . . 5.000 3.621 3.582 3.645 . 0 0 "[ . 1]" 1
235 1 18 SER H 1 19 PHE H . . 5.000 4.398 4.089 4.630 . 0 0 "[ . 1]" 1
236 1 18 SER HA 1 19 PHE H . . 3.500 2.311 2.215 2.652 . 0 0 "[ . 1]" 1
237 1 18 SER QB 1 19 PHE H . . 6.000 3.370 2.159 4.006 . 0 0 "[ . 1]" 1
238 1 19 PHE HA 1 20 TYR H . . 5.000 2.216 2.194 2.238 . 0 0 "[ . 1]" 1
239 1 19 PHE QB 1 20 TYR H . . 6.000 3.654 3.402 3.787 . 0 0 "[ . 1]" 1
240 1 21 GLY H 1 22 GLY H . . 5.000 4.452 4.368 4.621 . 0 0 "[ . 1]" 1
241 1 21 GLY HA2 1 22 GLY H . . 5.000 2.290 2.204 2.509 . 0 0 "[ . 1]" 1
242 1 21 GLY HA3 1 22 GLY H . . 5.000 3.140 2.738 3.448 . 0 0 "[ . 1]" 1
243 1 22 GLY H 1 23 TYR H . . 5.000 4.376 4.259 4.530 . 0 0 "[ . 1]" 1
244 1 22 GLY HA2 1 23 TYR H . . 5.000 2.338 2.200 2.489 . 0 0 "[ . 1]" 1
245 1 22 GLY HA3 1 23 TYR H . . 5.000 2.989 2.759 3.293 . 0 0 "[ . 1]" 1
246 1 22 GLY QA 1 23 TYR QD . . 7.600 3.115 2.735 3.527 . 0 0 "[ . 1]" 1
247 1 23 TYR HA 1 24 THR H . . 3.500 2.221 2.187 2.271 . 0 0 "[ . 1]" 1
248 1 23 TYR HB2 1 24 THR H . . 5.000 3.772 3.365 4.083 . 0 0 "[ . 1]" 1
249 1 23 TYR HB3 1 24 THR H . . 5.000 4.483 4.341 4.594 . 0 0 "[ . 1]" 1
250 1 23 TYR QB 1 59 PHE QD . . 8.000 4.228 2.835 5.623 . 0 0 "[ . 1]" 1
251 1 24 THR HB 1 25 THR H . . 5.000 3.928 3.884 4.048 . 0 0 "[ . 1]" 1
252 1 24 THR MG 1 26 GLU H . . 6.000 3.986 3.784 4.275 . 0 0 "[ . 1]" 1
253 1 24 THR MG 1 26 GLU HA . . 6.000 4.874 4.730 4.975 . 0 0 "[ . 1]" 1
254 1 24 THR MG 1 27 PRO HA . . 6.000 3.133 2.936 3.343 . 0 0 "[ . 1]" 1
255 1 24 THR MG 1 27 PRO HB2 . . 6.000 4.444 3.995 4.740 . 0 0 "[ . 1]" 1
256 1 24 THR MG 1 27 PRO HB3 . . 6.000 3.030 2.485 3.367 . 0 0 "[ . 1]" 1
257 1 24 THR MG 1 27 PRO QG . . 7.000 3.768 3.439 3.953 . 0 0 "[ . 1]" 1
258 1 24 THR MG 1 27 PRO HD2 . . 6.000 4.909 4.726 5.016 . 0 0 "[ . 1]" 1
259 1 24 THR MG 1 27 PRO HD3 . . 6.000 3.734 3.587 3.860 . 0 0 "[ . 1]" 1
260 1 24 THR MG 1 30 ARG H . . 6.000 4.860 4.633 5.033 . 0 0 "[ . 1]" 1
261 1 24 THR MG 1 30 ARG QG . . 7.000 3.592 3.104 3.999 . 0 0 "[ . 1]" 1
262 1 25 THR H 1 26 GLU H . . 5.000 4.403 4.279 4.566 . 0 0 "[ . 1]" 1
263 1 25 THR HA 1 26 GLU H . . 5.000 2.180 2.150 2.236 . 0 0 "[ . 1]" 1
264 1 25 THR HA 1 26 GLU HA . . 5.000 4.289 4.269 4.307 . 0 0 "[ . 1]" 1
265 1 26 GLU H 1 26 GLU HA . . 2.900 2.181 2.171 2.189 . 0 0 "[ . 1]" 1
266 1 26 GLU H 1 26 GLU HG2 . . 5.000 3.752 3.204 5.016 0.016 9 0 "[ . 1]" 1
267 1 26 GLU H 1 26 GLU HG3 . . 5.000 3.803 2.624 4.923 . 0 0 "[ . 1]" 1
268 1 26 GLU H 1 27 PRO HD2 . . 5.000 3.127 3.006 3.366 . 0 0 "[ . 1]" 1
269 1 26 GLU H 1 27 PRO HD3 . . 5.000 2.018 1.944 2.326 . 0 0 "[ . 1]" 1
270 1 26 GLU HA 1 27 PRO QG . . 6.000 4.129 4.081 4.192 . 0 0 "[ . 1]" 1
271 1 26 GLU HA 1 27 PRO HD2 . . 5.000 2.338 2.293 2.397 . 0 0 "[ . 1]" 1
272 1 26 GLU HA 1 27 PRO HD3 . . 5.000 2.599 2.524 2.692 . 0 0 "[ . 1]" 1
273 1 26 GLU HA 1 28 GLU H . . 3.500 3.186 2.978 3.463 . 0 0 "[ . 1]" 1
274 1 26 GLU HA 1 29 ARG H . . 5.000 4.392 4.012 4.867 . 0 0 "[ . 1]" 1
275 1 26 GLU QB 1 28 GLU H . . 6.000 4.090 3.375 4.553 . 0 0 "[ . 1]" 1
276 1 26 GLU HB2 1 29 ARG QD . . 6.000 4.022 2.879 5.104 . 0 0 "[ . 1]" 1
277 1 26 GLU HB3 1 29 ARG QD . . 6.000 3.065 2.253 3.869 . 0 0 "[ . 1]" 1
278 1 26 GLU QB 1 30 ARG H . . 6.000 4.052 3.470 4.426 . 0 0 "[ . 1]" 1
279 1 26 GLU QG 1 28 GLU QG . . 7.000 5.026 4.331 5.554 . 0 0 "[ . 1]" 1
280 1 26 GLU QG 1 29 ARG H . . 6.000 4.614 3.207 5.299 . 0 0 "[ . 1]" 1
281 1 26 GLU HG2 1 29 ARG QD . . 6.000 4.544 4.027 5.150 . 0 0 "[ . 1]" 1
282 1 26 GLU HG3 1 29 ARG QD . . 6.000 4.601 3.585 5.269 . 0 0 "[ . 1]" 1
283 1 27 PRO HA 1 28 GLU H . . 5.000 3.386 3.253 3.488 . 0 0 "[ . 1]" 1
284 1 27 PRO HA 1 30 ARG H . . 5.000 3.132 2.904 3.370 . 0 0 "[ . 1]" 1
285 1 27 PRO HA 1 30 ARG QB . . 6.000 2.216 1.929 2.403 . 0 0 "[ . 1]" 1
286 1 27 PRO HA 1 30 ARG QG . . 6.000 4.294 3.751 4.468 . 0 0 "[ . 1]" 1
287 1 27 PRO HA 1 30 ARG QD . . 6.000 3.357 3.068 3.873 . 0 0 "[ . 1]" 1
288 1 27 PRO HA 1 31 LEU H . . 3.500 3.492 3.324 3.520 0.020 10 0 "[ . 1]" 1
289 1 27 PRO HB2 1 28 GLU H . . 5.000 3.673 3.334 4.014 . 0 0 "[ . 1]" 1
290 1 27 PRO HB3 1 28 GLU H . . 5.000 4.424 4.240 4.604 . 0 0 "[ . 1]" 1
291 1 27 PRO QB 1 31 LEU QD . . 8.400 3.319 2.448 4.032 . 0 0 "[ . 1]" 1
292 1 27 PRO HG2 1 28 GLU H . . 5.000 3.329 2.873 3.838 . 0 0 "[ . 1]" 1
293 1 27 PRO HG3 1 28 GLU H . . 5.000 4.402 4.104 4.741 . 0 0 "[ . 1]" 1
294 1 27 PRO QG 1 28 GLU QG . . 7.000 3.575 3.066 4.315 . 0 0 "[ . 1]" 1
295 1 27 PRO QG 1 53 MET ME . . 7.000 3.681 2.468 4.716 . 0 0 "[ . 1]" 1
296 1 27 PRO HD2 1 28 GLU H . . 5.000 2.413 2.253 2.692 . 0 0 "[ . 1]" 1
297 1 27 PRO HD3 1 28 GLU H . . 5.000 3.709 3.654 3.820 . 0 0 "[ . 1]" 1
298 1 28 GLU H 1 29 ARG H . . 3.500 2.882 2.699 3.003 . 0 0 "[ . 1]" 1
299 1 28 GLU H 1 30 ARG H . . 5.000 4.018 3.446 4.486 . 0 0 "[ . 1]" 1
300 1 28 GLU HA 1 29 ARG H . . 5.000 3.633 3.605 3.646 . 0 0 "[ . 1]" 1
301 1 28 GLU HA 1 30 ARG H . . 5.000 4.624 4.133 5.008 0.008 10 0 "[ . 1]" 1
302 1 28 GLU HA 1 31 LEU H . . 5.000 3.731 3.480 3.973 . 0 0 "[ . 1]" 1
303 1 28 GLU HA 1 31 LEU HB2 . . 5.000 3.487 2.804 4.210 . 0 0 "[ . 1]" 1
304 1 28 GLU HA 1 31 LEU HB3 . . 5.000 3.504 2.667 4.274 . 0 0 "[ . 1]" 1
305 1 28 GLU QB 1 29 ARG H . . 6.000 2.444 2.163 2.611 . 0 0 "[ . 1]" 1
306 1 28 GLU QB 1 29 ARG HG2 . . 6.000 4.618 3.944 5.309 . 0 0 "[ . 1]" 1
307 1 28 GLU QB 1 29 ARG HG3 . . 6.000 4.558 3.251 5.391 . 0 0 "[ . 1]" 1
308 1 28 GLU QG 1 29 ARG H . . 6.000 4.127 3.888 4.325 . 0 0 "[ . 1]" 1
309 1 28 GLU QG 1 31 LEU QD . . 8.400 4.579 3.827 5.154 . 0 0 "[ . 1]" 1
310 1 29 ARG H 1 29 ARG HB2 . . 3.500 2.852 2.093 3.571 0.071 9 0 "[ . 1]" 1
311 1 29 ARG H 1 29 ARG HB3 . . 3.500 2.956 2.382 3.512 0.012 3 0 "[ . 1]" 1
312 1 29 ARG H 1 29 ARG HG2 . . 5.000 3.179 1.963 4.275 . 0 0 "[ . 1]" 1
313 1 29 ARG H 1 29 ARG HG3 . . 5.000 3.248 2.686 3.945 . 0 0 "[ . 1]" 1
314 1 29 ARG H 1 29 ARG QD . . 6.000 3.465 2.228 4.218 . 0 0 "[ . 1]" 1
315 1 29 ARG H 1 30 ARG H . . 3.500 2.585 2.424 2.666 . 0 0 "[ . 1]" 1
316 1 29 ARG HA 1 30 ARG H . . 5.000 3.593 3.519 3.641 . 0 0 "[ . 1]" 1
317 1 29 ARG HA 1 31 LEU H . . 5.000 4.368 4.087 4.995 . 0 0 "[ . 1]" 1
318 1 29 ARG HA 1 32 THR H . . 5.000 3.712 3.449 3.961 . 0 0 "[ . 1]" 1
319 1 29 ARG HA 1 32 THR HB . . 5.000 3.616 2.533 4.369 . 0 0 "[ . 1]" 1
320 1 29 ARG HA 1 33 GLU H . . 5.000 4.016 3.531 4.274 . 0 0 "[ . 1]" 1
321 1 29 ARG QB 1 30 ARG H . . 6.000 3.050 2.424 3.662 . 0 0 "[ . 1]" 1
322 1 29 ARG QG 1 30 ARG H . . 6.000 3.274 2.067 4.473 . 0 0 "[ . 1]" 1
323 1 29 ARG QG 1 32 THR MG . . 7.000 4.120 3.177 4.652 . 0 0 "[ . 1]" 1
324 1 29 ARG QG 1 33 GLU H . . 6.000 5.140 4.703 5.404 . 0 0 "[ . 1]" 1
325 1 29 ARG QD 1 30 ARG H . . 6.000 4.316 4.048 4.635 . 0 0 "[ . 1]" 1
326 1 30 ARG H 1 31 LEU H . . 3.500 2.712 2.549 2.907 . 0 0 "[ . 1]" 1
327 1 30 ARG H 1 31 LEU QB . . 6.000 4.357 4.188 4.549 . 0 0 "[ . 1]" 1
328 1 30 ARG HA 1 31 LEU H . . 3.500 3.602 3.556 3.650 0.150 6 0 "[ . 1]" 1
329 1 30 ARG HA 1 33 GLU QB . . 6.000 2.476 2.043 2.786 . 0 0 "[ . 1]" 1
330 1 30 ARG QG 1 31 LEU H . . 6.000 4.079 3.720 4.340 . 0 0 "[ . 1]" 1
331 1 30 ARG QG 1 31 LEU HA . . 6.000 4.275 3.702 4.708 . 0 0 "[ . 1]" 1
332 1 30 ARG HG2 1 33 GLU QB . . 6.000 3.804 2.993 4.722 . 0 0 "[ . 1]" 1
333 1 30 ARG HG3 1 33 GLU QB . . 6.000 4.395 3.506 5.284 . 0 0 "[ . 1]" 1
334 1 30 ARG QG 1 34 HIS QB . . 7.000 4.247 2.976 5.305 . 0 0 "[ . 1]" 1
335 1 30 ARG QD 1 31 LEU H . . 6.000 4.399 3.803 5.266 . 0 0 "[ . 1]" 1
336 1 31 LEU H 1 31 LEU HG . . 5.000 4.146 2.979 4.443 . 0 0 "[ . 1]" 1
337 1 31 LEU H 1 32 THR H . . 3.500 2.898 2.722 3.104 . 0 0 "[ . 1]" 1
338 1 31 LEU HA 1 32 THR H . . 5.000 3.638 3.633 3.640 . 0 0 "[ . 1]" 1
339 1 31 LEU HA 1 34 HIS QB . . 6.000 3.261 2.578 4.975 . 0 0 "[ . 1]" 1
340 1 31 LEU HB2 1 32 THR H . . 5.000 3.403 2.554 3.873 . 0 0 "[ . 1]" 1
341 1 31 LEU HB3 1 32 THR H . . 5.000 2.347 2.062 2.656 . 0 0 "[ . 1]" 1
342 1 31 LEU HG 1 32 THR H . . 5.000 4.156 2.950 4.872 . 0 0 "[ . 1]" 1
343 1 31 LEU HG 1 35 ASN QD . . 6.000 3.472 2.266 4.977 . 0 0 "[ . 1]" 1
344 1 31 LEU MD1 1 32 THR H . . 6.000 4.501 4.027 4.790 . 0 0 "[ . 1]" 1
345 1 31 LEU MD2 1 32 THR H . . 6.000 3.745 3.337 4.369 . 0 0 "[ . 1]" 1
346 1 31 LEU QD 1 35 ASN QD . . 8.400 2.671 2.139 3.123 . 0 0 "[ . 1]" 1
347 1 31 LEU MD2 1 35 ASN QD . . 7.000 2.922 2.148 4.269 . 0 0 "[ . 1]" 1
348 1 31 LEU MD1 1 51 VAL MG1 . . 7.000 3.683 2.879 4.652 . 0 0 "[ . 1]" 1
349 1 31 LEU MD2 1 51 VAL MG1 . . 7.000 3.907 3.079 4.650 . 0 0 "[ . 1]" 1
350 1 31 LEU QD 1 53 MET ME . . 8.400 3.587 3.005 4.672 . 0 0 "[ . 1]" 1
351 1 32 THR H 1 32 THR HB . . 3.500 2.340 2.069 2.527 . 0 0 "[ . 1]" 1
352 1 32 THR H 1 33 GLU H . . 5.000 2.903 2.629 3.090 . 0 0 "[ . 1]" 1
353 1 32 THR HA 1 33 GLU H . . 5.000 3.586 3.501 3.631 . 0 0 "[ . 1]" 1
354 1 32 THR HA 1 35 ASN HB2 . . 5.000 2.417 2.000 2.822 . 0 0 "[ . 1]" 1
355 1 32 THR HA 1 35 ASN HB3 . . 5.000 3.608 2.659 4.035 . 0 0 "[ . 1]" 1
356 1 32 THR HB 1 33 GLU H . . 5.000 3.549 2.422 4.245 . 0 0 "[ . 1]" 1
357 1 32 THR MG 1 33 GLU H . . 6.000 2.444 1.998 3.182 . 0 0 "[ . 1]" 1
358 1 32 THR MG 1 33 GLU HA . . 6.000 3.186 2.850 3.432 . 0 0 "[ . 1]" 1
359 1 32 THR MG 1 33 GLU QB . . 7.000 3.593 2.886 4.522 . 0 0 "[ . 1]" 1
360 1 32 THR MG 1 33 GLU QG . . 7.000 4.014 3.399 4.754 . 0 0 "[ . 1]" 1
361 1 32 THR MG 1 36 SER QB . . 7.000 3.846 2.915 4.663 . 0 0 "[ . 1]" 1
362 1 33 GLU H 1 33 GLU HG2 . . 5.000 4.059 2.632 4.599 . 0 0 "[ . 1]" 1
363 1 33 GLU H 1 33 GLU HG3 . . 5.000 3.831 3.047 4.509 . 0 0 "[ . 1]" 1
364 1 33 GLU HA 1 36 SER H . . 5.000 3.704 3.341 4.410 . 0 0 "[ . 1]" 1
365 1 34 HIS HA 1 38 THR H . . 5.000 4.297 3.036 5.002 0.002 8 0 "[ . 1]" 1
366 1 34 HIS QB 1 35 ASN QD . . 7.000 4.507 3.815 5.536 . 0 0 "[ . 1]" 1
367 1 34 HIS HE1 1 35 ASN QD . . 6.000 4.437 2.715 5.369 . 0 0 "[ . 1]" 1
368 1 35 ASN HA 1 36 SER H . . 5.000 3.571 3.162 3.656 . 0 0 "[ . 1]" 1
369 1 35 ASN HB2 1 36 SER H . . 5.000 2.962 2.536 4.042 . 0 0 "[ . 1]" 1
370 1 35 ASN HB3 1 36 SER H . . 5.000 3.022 2.466 4.148 . 0 0 "[ . 1]" 1
371 1 35 ASN QD 1 51 VAL MG2 . . 7.000 4.455 3.720 5.123 . 0 0 "[ . 1]" 1
372 1 36 SER H 1 37 GLY H . . 3.500 2.864 2.462 3.179 . 0 0 "[ . 1]" 1
373 1 36 SER QB 1 37 GLY H . . 6.000 2.992 2.272 3.956 . 0 0 "[ . 1]" 1
374 1 38 THR HA 1 39 GLY H . . 5.000 2.803 2.153 3.633 . 0 0 "[ . 1]" 1
375 1 39 GLY QA 1 40 ALA H . . 5.600 2.293 2.171 2.644 . 0 0 "[ . 1]" 1
376 1 40 ALA H 1 41 LYS HA . . 5.000 4.648 4.357 4.986 . 0 0 "[ . 1]" 1
377 1 40 ALA HA 1 41 LYS H . . 5.000 2.616 2.201 3.642 . 0 0 "[ . 1]" 1
378 1 45 LEU HA 1 46 ALA H . . 5.000 3.451 2.929 3.641 . 0 0 "[ . 1]" 1
379 1 45 LEU QB 1 46 ALA MB . . 7.000 4.342 3.396 4.929 . 0 0 "[ . 1]" 1
380 1 45 LEU QD 1 47 LYS HA . . 7.400 4.526 2.154 5.387 . 0 0 "[ . 1]" 1
381 1 45 LEU QD 1 47 LYS QE . . 8.400 4.398 3.592 5.566 . 0 0 "[ . 1]" 1
382 1 47 LYS H 1 48 ARG H . . 5.000 2.669 2.016 3.165 . 0 0 "[ . 1]" 1
383 1 47 LYS HA 1 48 ARG H . . 5.000 3.576 3.083 3.641 . 0 0 "[ . 1]" 1
384 1 47 LYS QB 1 48 ARG H . . 6.000 2.600 2.201 4.091 . 0 0 "[ . 1]" 1
385 1 47 LYS QD 1 48 ARG H . . 6.000 4.442 3.921 4.831 . 0 0 "[ . 1]" 1
386 1 47 LYS QG 1 48 ARG H . . 6.000 4.173 3.422 4.528 . 0 0 "[ . 1]" 1
387 1 50 PRO HA 1 51 VAL HA . . 5.000 4.352 4.285 4.448 . 0 0 "[ . 1]" 1
388 1 50 PRO HA 1 51 VAL MG1 . . 6.000 3.677 3.354 4.318 . 0 0 "[ . 1]" 1
389 1 50 PRO HA 1 51 VAL MG2 . . 6.000 3.625 3.217 3.925 . 0 0 "[ . 1]" 1
390 1 51 VAL HA 1 52 ILE H . . 3.500 2.209 2.182 2.317 . 0 0 "[ . 1]" 1
391 1 51 VAL HB 1 52 ILE H . . 5.000 3.618 3.152 4.146 . 0 0 "[ . 1]" 1
392 1 51 VAL HB 1 53 MET ME . . 6.000 4.447 3.740 4.898 . 0 0 "[ . 1]" 1
393 1 51 VAL MG1 1 52 ILE H . . 6.000 4.092 3.964 4.257 . 0 0 "[ . 1]" 1
394 1 51 VAL MG2 1 52 ILE H . . 6.000 4.157 3.803 4.329 . 0 0 "[ . 1]" 1
395 1 52 ILE H 1 52 ILE HG12 . . 5.000 2.599 2.352 3.098 . 0 0 "[ . 1]" 1
396 1 52 ILE H 1 52 ILE HG13 . . 5.000 3.097 2.423 3.728 . 0 0 "[ . 1]" 1
397 1 52 ILE H 1 53 MET H . . 5.000 4.503 4.441 4.548 . 0 0 "[ . 1]" 1
398 1 52 ILE HA 1 53 MET H . . 2.900 2.317 2.215 2.437 . 0 0 "[ . 1]" 1
399 1 52 ILE HB 1 53 MET H . . 5.000 2.942 2.601 3.266 . 0 0 "[ . 1]" 1
400 1 52 ILE HB 1 54 ILE MG . . 6.000 3.915 3.647 4.262 . 0 0 "[ . 1]" 1
401 1 52 ILE QG 1 53 MET H . . 6.000 3.565 2.984 3.829 . 0 0 "[ . 1]" 1
402 1 52 ILE QG 1 54 ILE H . . 6.000 4.298 3.855 4.639 . 0 0 "[ . 1]" 1
403 1 52 ILE QG 1 54 ILE QG . . 7.000 4.201 2.716 5.376 . 0 0 "[ . 1]" 1
404 1 52 ILE HG12 1 54 ILE MG . . 6.000 3.664 3.090 4.142 . 0 0 "[ . 1]" 1
405 1 52 ILE HG13 1 54 ILE MG . . 6.000 2.530 2.140 3.064 . 0 0 "[ . 1]" 1
406 1 52 ILE QG 1 54 ILE MD . . 7.000 3.831 2.997 4.950 . 0 0 "[ . 1]" 1
407 1 52 ILE MG 1 53 MET H . . 6.000 4.093 3.935 4.228 . 0 0 "[ . 1]" 1
408 1 52 ILE MG 1 54 ILE MG . . 7.000 4.540 4.300 4.787 . 0 0 "[ . 1]" 1
409 1 52 ILE MD 1 53 MET H . . 6.000 4.125 3.068 4.739 . 0 0 "[ . 1]" 1
410 1 52 ILE MD 1 54 ILE QG . . 7.000 4.240 2.953 5.005 . 0 0 "[ . 1]" 1
411 1 52 ILE MD 1 54 ILE MG . . 7.000 2.300 1.676 2.710 . 0 0 "[ . 1]" 1
412 1 53 MET H 1 53 MET ME . . 6.000 4.214 3.756 4.828 . 0 0 "[ . 1]" 1
413 1 53 MET H 1 54 ILE H . . 5.000 4.444 4.320 4.599 . 0 0 "[ . 1]" 1
414 1 53 MET H 1 54 ILE MG . . 6.000 4.102 3.880 4.490 . 0 0 "[ . 1]" 1
415 1 53 MET HA 1 53 MET ME . . 6.000 3.665 2.896 4.201 . 0 0 "[ . 1]" 1
416 1 53 MET HA 1 54 ILE H . . 3.500 2.229 2.202 2.307 . 0 0 "[ . 1]" 1
417 1 53 MET HA 1 55 HIS H . . 5.000 3.581 3.268 4.024 . 0 0 "[ . 1]" 1
418 1 53 MET HG2 1 54 ILE H . . 5.000 3.995 3.547 4.515 . 0 0 "[ . 1]" 1
419 1 53 MET HG3 1 54 ILE H . . 5.000 3.936 3.237 5.041 0.041 9 0 "[ . 1]" 1
420 1 53 MET HG2 1 55 HIS H . . 5.000 4.095 3.047 5.052 0.052 9 0 "[ . 1]" 1
421 1 53 MET HG3 1 55 HIS H . . 5.000 4.507 3.728 4.990 . 0 0 "[ . 1]" 1
422 1 53 MET HG2 1 56 THR MG . . 6.000 2.941 2.261 3.825 . 0 0 "[ . 1]" 1
423 1 53 MET HG3 1 56 THR MG . . 6.000 3.973 2.885 4.970 . 0 0 "[ . 1]" 1
424 1 53 MET ME 1 56 THR MG . . 7.000 4.439 3.914 4.857 . 0 0 "[ . 1]" 1
425 1 54 ILE H 1 55 HIS H . . 3.500 1.986 1.833 2.350 . 0 0 "[ . 1]" 1
426 1 54 ILE H 1 55 HIS QB . . 6.000 3.870 3.404 4.138 . 0 0 "[ . 1]" 1
427 1 54 ILE H 1 56 THR MG . . 6.000 4.449 3.580 4.879 . 0 0 "[ . 1]" 1
428 1 54 ILE HA 1 55 HIS H . . 5.000 3.377 2.809 3.617 . 0 0 "[ . 1]" 1
429 1 54 ILE HA 1 56 THR MG . . 6.000 4.606 4.131 4.785 . 0 0 "[ . 1]" 1
430 1 54 ILE HB 1 55 HIS H . . 5.000 4.182 3.401 4.592 . 0 0 "[ . 1]" 1
431 1 54 ILE QG 1 55 HIS H . . 6.000 3.027 1.938 3.985 . 0 0 "[ . 1]" 1
432 1 54 ILE MG 1 55 HIS H . . 6.000 4.071 3.826 4.480 . 0 0 "[ . 1]" 1
433 1 54 ILE MD 1 55 HIS H . . 6.000 2.705 2.125 4.500 . 0 0 "[ . 1]" 1
434 1 54 ILE MD 1 55 HIS HA . . 6.000 4.184 3.342 4.979 . 0 0 "[ . 1]" 1
435 1 54 ILE MD 1 55 HIS HB2 . . 6.000 2.911 1.965 3.532 . 0 0 "[ . 1]" 1
436 1 54 ILE MD 1 55 HIS HB3 . . 6.000 4.190 3.406 4.879 . 0 0 "[ . 1]" 1
437 1 54 ILE MD 1 84 LEU MD1 . . 7.000 4.161 3.290 4.628 . 0 0 "[ . 1]" 1
438 1 54 ILE MD 1 84 LEU MD2 . . 7.000 4.243 2.302 4.604 . 0 0 "[ . 1]" 1
439 1 55 HIS H 1 56 THR MG . . 6.000 3.543 2.746 3.924 . 0 0 "[ . 1]" 1
440 1 55 HIS H 1 84 LEU MD2 . . 6.000 4.657 4.388 4.868 . 0 0 "[ . 1]" 1
441 1 55 HIS HA 1 55 HIS HE1 . . 5.000 4.821 4.526 5.167 0.167 5 0 "[ . 1]" 1
442 1 55 HIS HA 1 56 THR H . . 3.500 2.293 2.188 2.394 . 0 0 "[ . 1]" 1
443 1 55 HIS HA 1 56 THR HA . . 5.000 4.458 4.389 4.517 . 0 0 "[ . 1]" 1
444 1 55 HIS QB 1 56 THR H . . 6.000 3.152 2.668 3.945 . 0 0 "[ . 1]" 1
445 1 55 HIS QB 1 56 THR HA . . 6.000 4.097 3.921 4.430 . 0 0 "[ . 1]" 1
446 1 55 HIS HB2 1 84 LEU MD2 . . 6.000 3.194 3.019 3.555 . 0 0 "[ . 1]" 1
447 1 55 HIS HB3 1 84 LEU MD2 . . 6.000 2.616 1.769 4.672 . 0 0 "[ . 1]" 1
448 1 55 HIS HE1 1 81 GLU H . . 5.000 4.486 3.802 5.026 0.026 9 0 "[ . 1]" 1
449 1 55 HIS HE1 1 82 GLN H . . 5.000 4.945 4.810 5.026 0.026 9 0 "[ . 1]" 1
450 1 55 HIS HE1 1 83 TYR QB . . 6.000 4.145 1.977 5.053 . 0 0 "[ . 1]" 1
451 1 56 THR H 1 57 GLU H . . 5.000 4.060 3.641 4.479 . 0 0 "[ . 1]" 1
452 1 56 THR HA 1 57 GLU H . . 3.500 2.198 2.152 2.372 . 0 0 "[ . 1]" 1
453 1 56 THR HB 1 57 GLU H . . 5.000 3.610 2.741 4.038 . 0 0 "[ . 1]" 1
454 1 56 THR MG 1 57 GLU H . . 6.000 4.014 3.703 4.178 . 0 0 "[ . 1]" 1
455 1 57 GLU H 1 58 LYS H . . 5.000 4.382 4.106 4.493 . 0 0 "[ . 1]" 1
456 1 57 GLU HA 1 58 LYS H . . 2.900 2.363 2.245 2.449 . 0 0 "[ . 1]" 1
457 1 57 GLU HB2 1 58 LYS H . . 5.000 4.258 4.096 4.480 . 0 0 "[ . 1]" 1
458 1 57 GLU HB3 1 58 LYS H . . 5.000 3.210 2.803 3.738 . 0 0 "[ . 1]" 1
459 1 57 GLU HG2 1 58 LYS H . . 5.000 3.257 2.270 4.240 . 0 0 "[ . 1]" 1
460 1 57 GLU HG3 1 58 LYS H . . 5.000 3.853 2.377 4.952 . 0 0 "[ . 1]" 1
461 1 58 LYS H 1 58 LYS HG2 . . 5.000 3.207 2.098 4.435 . 0 0 "[ . 1]" 1
462 1 58 LYS H 1 58 LYS HG3 . . 5.000 3.926 2.778 4.939 . 0 0 "[ . 1]" 1
463 1 58 LYS H 1 58 LYS QD . . 6.000 3.450 2.312 4.774 . 0 0 "[ . 1]" 1
464 1 58 LYS H 1 58 LYS QE . . 6.000 3.669 2.023 5.173 . 0 0 "[ . 1]" 1
465 1 58 LYS H 1 59 PHE H . . 5.000 4.333 3.992 4.516 . 0 0 "[ . 1]" 1
466 1 58 LYS HA 1 59 PHE H . . 3.500 2.283 2.178 2.473 . 0 0 "[ . 1]" 1
467 1 58 LYS HB2 1 59 PHE H . . 5.000 3.480 2.547 4.318 . 0 0 "[ . 1]" 1
468 1 58 LYS HB3 1 59 PHE H . . 5.000 3.991 2.789 4.567 . 0 0 "[ . 1]" 1
469 1 58 LYS HG2 1 59 PHE H . . 5.000 3.979 2.748 4.732 . 0 0 "[ . 1]" 1
470 1 58 LYS HG3 1 59 PHE H . . 5.000 4.298 3.711 4.928 . 0 0 "[ . 1]" 1
471 1 59 PHE H 1 60 GLU HA . . 5.000 4.550 4.325 4.801 . 0 0 "[ . 1]" 1
472 1 59 PHE H 1 59 PHE QE . . 7.000 4.973 3.894 5.715 . 0 0 "[ . 1]" 1
473 1 59 PHE HA 1 60 GLU H . . 3.500 2.226 2.192 2.336 . 0 0 "[ . 1]" 1
474 1 59 PHE HA 1 61 THR H . . 5.000 3.671 3.333 4.231 . 0 0 "[ . 1]" 1
475 1 59 PHE HB2 1 60 GLU H . . 5.000 4.108 2.939 4.463 . 0 0 "[ . 1]" 1
476 1 59 PHE HB3 1 60 GLU H . . 5.000 3.638 3.186 4.257 . 0 0 "[ . 1]" 1
477 1 59 PHE HB2 1 61 THR H . . 5.000 4.269 2.522 5.002 0.002 7 0 "[ . 1]" 1
478 1 59 PHE HB3 1 61 THR H . . 5.000 3.563 2.782 4.564 . 0 0 "[ . 1]" 1
479 1 59 PHE QB 1 64 GLU H . . 6.000 4.756 4.165 5.039 . 0 0 "[ . 1]" 1
480 1 59 PHE QB 1 64 GLU HB2 . . 6.000 3.579 3.125 4.184 . 0 0 "[ . 1]" 1
481 1 59 PHE QB 1 64 GLU HB3 . . 6.000 3.519 2.468 4.145 . 0 0 "[ . 1]" 1
482 1 59 PHE QB 1 65 ALA H . . 6.000 3.233 2.595 3.645 . 0 0 "[ . 1]" 1
483 1 59 PHE QB 1 65 ALA MB . . 7.000 2.603 2.117 3.664 . 0 0 "[ . 1]" 1
484 1 60 GLU H 1 60 GLU HG2 . . 5.000 2.845 1.967 4.531 . 0 0 "[ . 1]" 1
485 1 60 GLU H 1 60 GLU HG3 . . 5.000 3.575 2.124 4.413 . 0 0 "[ . 1]" 1
486 1 60 GLU H 1 61 THR H . . 3.500 2.290 1.921 2.590 . 0 0 "[ . 1]" 1
487 1 60 GLU H 1 61 THR MG . . 6.000 3.857 3.371 4.481 . 0 0 "[ . 1]" 1
488 1 60 GLU HA 1 61 THR H . . 5.000 3.501 3.312 3.624 . 0 0 "[ . 1]" 1
489 1 60 GLU HB2 1 61 THR H . . 5.000 4.096 3.738 4.336 . 0 0 "[ . 1]" 1
490 1 60 GLU HB3 1 61 THR H . . 5.000 3.749 2.512 4.523 . 0 0 "[ . 1]" 1
491 1 60 GLU HB2 1 61 THR MG . . 6.000 3.881 3.179 4.154 . 0 0 "[ . 1]" 1
492 1 60 GLU HB3 1 61 THR MG . . 6.000 3.887 2.548 4.626 . 0 0 "[ . 1]" 1
493 1 60 GLU HG2 1 61 THR H . . 5.000 3.177 2.060 4.262 . 0 0 "[ . 1]" 1
494 1 60 GLU HG3 1 61 THR H . . 5.000 3.764 2.730 4.972 . 0 0 "[ . 1]" 1
495 1 60 GLU HG2 1 61 THR MG . . 6.000 2.832 1.980 3.751 . 0 0 "[ . 1]" 1
496 1 60 GLU HG3 1 61 THR MG . . 6.000 2.887 1.973 4.663 . 0 0 "[ . 1]" 1
497 1 61 THR H 1 62 ARG H . . 5.000 4.536 4.456 4.592 . 0 0 "[ . 1]" 1
498 1 61 THR H 1 64 GLU H . . 5.000 4.518 3.971 4.938 . 0 0 "[ . 1]" 1
499 1 61 THR H 1 64 GLU QB . . 6.000 3.493 3.075 3.807 . 0 0 "[ . 1]" 1
500 1 61 THR H 1 64 GLU QG . . 6.000 4.923 4.500 5.283 . 0 0 "[ . 1]" 1
501 1 61 THR H 1 65 ALA MB . . 6.000 4.592 4.146 4.858 . 0 0 "[ . 1]" 1
502 1 61 THR HB 1 62 ARG H . . 3.500 2.868 2.482 3.213 . 0 0 "[ . 1]" 1
503 1 61 THR HB 1 62 ARG HA . . 5.000 4.915 4.818 5.014 0.014 9 0 "[ . 1]" 1
504 1 61 THR HB 1 63 SER H . . 5.000 3.010 2.503 3.391 . 0 0 "[ . 1]" 1
505 1 61 THR HB 1 64 GLU H . . 5.000 3.415 3.080 3.954 . 0 0 "[ . 1]" 1
506 1 61 THR HA 1 62 ARG H . . 3.500 2.331 2.209 2.498 . 0 0 "[ . 1]" 1
507 1 61 THR HA 1 62 ARG HA . . 5.000 4.225 4.206 4.241 . 0 0 "[ . 1]" 1
508 1 61 THR MG 1 62 ARG H . . 6.000 3.926 3.754 4.023 . 0 0 "[ . 1]" 1
509 1 61 THR MG 1 64 GLU H . . 6.000 4.468 4.351 4.587 . 0 0 "[ . 1]" 1
510 1 62 ARG H 1 62 ARG QD . . 6.000 4.403 3.799 4.685 . 0 0 "[ . 1]" 1
511 1 62 ARG QG 1 65 ALA H . . 6.000 4.657 4.270 5.250 . 0 0 "[ . 1]" 1
512 1 62 ARG QG 1 66 THR H . . 6.000 3.809 3.024 4.876 . 0 0 "[ . 1]" 1
513 1 62 ARG QG 1 66 THR MG . . 7.000 4.105 3.276 4.946 . 0 0 "[ . 1]" 1
514 1 62 ARG QD 1 66 THR MG . . 7.000 3.997 2.487 4.997 . 0 0 "[ . 1]" 1
515 1 63 SER HA 1 64 GLU H . . 5.000 3.626 3.586 3.649 . 0 0 "[ . 1]" 1
516 1 63 SER HA 1 65 ALA H . . 5.000 4.603 4.058 4.999 . 0 0 "[ . 1]" 1
517 1 63 SER HA 1 66 THR H . . 5.000 3.960 3.835 4.063 . 0 0 "[ . 1]" 1
518 1 63 SER HA 1 66 THR HB . . 5.000 4.336 3.906 4.722 . 0 0 "[ . 1]" 1
519 1 63 SER HA 1 66 THR MG . . 6.000 2.223 2.022 2.430 . 0 0 "[ . 1]" 1
520 1 63 SER HA 1 67 LYS H . . 5.000 4.255 3.930 4.501 . 0 0 "[ . 1]" 1
521 1 63 SER HB2 1 64 GLU H . . 5.000 2.600 2.055 2.965 . 0 0 "[ . 1]" 1
522 1 63 SER HB3 1 64 GLU H . . 5.000 3.252 2.752 3.458 . 0 0 "[ . 1]" 1
523 1 63 SER HB2 1 64 GLU HA . . 5.000 4.528 4.045 4.907 . 0 0 "[ . 1]" 1
524 1 63 SER HB3 1 64 GLU HA . . 5.000 4.066 3.807 4.283 . 0 0 "[ . 1]" 1
525 1 63 SER QB 1 64 GLU QB . . 7.000 4.009 3.740 4.310 . 0 0 "[ . 1]" 1
526 1 64 GLU H 1 65 ALA H . . 3.500 2.630 2.382 2.934 . 0 0 "[ . 1]" 1
527 1 64 GLU H 1 65 ALA MB . . 6.000 4.152 4.007 4.351 . 0 0 "[ . 1]" 1
528 1 64 GLU H 1 66 THR H . . 5.000 4.526 3.890 4.919 . 0 0 "[ . 1]" 1
529 1 64 GLU H 1 67 LYS H . . 5.000 4.561 4.363 4.809 . 0 0 "[ . 1]" 1
530 1 64 GLU HA 1 65 ALA H . . 5.000 3.595 3.504 3.637 . 0 0 "[ . 1]" 1
531 1 64 GLU HA 1 67 LYS H . . 5.000 3.281 3.134 3.539 . 0 0 "[ . 1]" 1
532 1 64 GLU HA 1 67 LYS HB2 . . 5.000 2.683 2.104 3.523 . 0 0 "[ . 1]" 1
533 1 64 GLU HA 1 67 LYS HB3 . . 5.000 2.544 2.047 3.372 . 0 0 "[ . 1]" 1
534 1 64 GLU HA 1 67 LYS QG . . 6.000 4.146 3.947 4.382 . 0 0 "[ . 1]" 1
535 1 64 GLU HA 1 67 LYS QD . . 6.000 3.057 2.701 3.457 . 0 0 "[ . 1]" 1
536 1 64 GLU HA 1 68 ALA H . . 5.000 3.863 3.510 4.079 . 0 0 "[ . 1]" 1
537 1 64 GLU HB2 1 65 ALA H . . 5.000 2.950 2.603 3.412 . 0 0 "[ . 1]" 1
538 1 64 GLU HB3 1 65 ALA H . . 5.000 3.310 2.603 3.791 . 0 0 "[ . 1]" 1
539 1 64 GLU HB2 1 65 ALA MB . . 6.000 4.349 4.044 4.807 . 0 0 "[ . 1]" 1
540 1 64 GLU HB3 1 65 ALA MB . . 6.000 4.494 4.007 4.851 . 0 0 "[ . 1]" 1
541 1 64 GLU QG 1 65 ALA H . . 6.000 4.386 4.200 4.706 . 0 0 "[ . 1]" 1
542 1 65 ALA H 1 66 THR H . . 3.500 2.956 2.712 3.164 . 0 0 "[ . 1]" 1
543 1 65 ALA H 1 66 THR MG . . 6.000 4.091 3.855 4.429 . 0 0 "[ . 1]" 1
544 1 65 ALA H 1 67 LYS H . . 5.000 3.875 3.557 4.142 . 0 0 "[ . 1]" 1
545 1 65 ALA H 1 68 ALA MB . . 6.000 4.679 4.392 4.844 . 0 0 "[ . 1]" 1
546 1 65 ALA HA 1 66 THR H . . 5.000 3.636 3.611 3.642 . 0 0 "[ . 1]" 1
547 1 65 ALA HA 1 68 ALA H . . 5.000 3.497 3.066 3.830 . 0 0 "[ . 1]" 1
548 1 65 ALA HA 1 68 ALA MB . . 6.000 2.824 2.447 3.070 . 0 0 "[ . 1]" 1
549 1 65 ALA HA 1 69 GLU H . . 5.000 4.446 4.144 4.671 . 0 0 "[ . 1]" 1
550 1 65 ALA MB 1 66 THR H . . 6.000 2.275 1.997 2.555 . 0 0 "[ . 1]" 1
551 1 65 ALA MB 1 66 THR MG . . 7.000 3.895 3.618 4.259 . 0 0 "[ . 1]" 1
552 1 65 ALA MB 1 68 ALA H . . 6.000 4.610 4.250 4.921 . 0 0 "[ . 1]" 1
553 1 65 ALA MB 1 68 ALA MB . . 7.000 4.079 3.744 4.374 . 0 0 "[ . 1]" 1
554 1 66 THR H 1 67 LYS H . . 3.500 2.706 2.555 2.815 . 0 0 "[ . 1]" 1
555 1 66 THR H 1 67 LYS QB . . 6.000 4.379 4.253 4.549 . 0 0 "[ . 1]" 1
556 1 66 THR H 1 68 ALA H . . 5.000 4.381 4.159 4.690 . 0 0 "[ . 1]" 1
557 1 66 THR HA 1 67 LYS H . . 5.000 3.554 3.506 3.599 . 0 0 "[ . 1]" 1
558 1 66 THR HA 1 68 ALA H . . 5.000 4.520 4.286 4.841 . 0 0 "[ . 1]" 1
559 1 66 THR HA 1 69 GLU H . . 5.000 3.309 3.205 3.482 . 0 0 "[ . 1]" 1
560 1 66 THR HA 1 69 GLU HB2 . . 5.000 2.956 2.098 4.674 . 0 0 "[ . 1]" 1
561 1 66 THR HA 1 69 GLU HB3 . . 5.000 3.251 2.726 3.906 . 0 0 "[ . 1]" 1
562 1 66 THR HB 1 67 LYS H . . 5.000 4.012 3.845 4.134 . 0 0 "[ . 1]" 1
563 1 66 THR MG 1 67 LYS H . . 6.000 2.219 1.919 2.590 . 0 0 "[ . 1]" 1
564 1 66 THR MG 1 67 LYS HA . . 6.000 3.132 2.960 3.208 . 0 0 "[ . 1]" 1
565 1 66 THR MG 1 68 ALA H . . 6.000 4.449 4.332 4.678 . 0 0 "[ . 1]" 1
566 1 66 THR MG 1 69 GLU H . . 6.000 4.843 4.722 4.920 . 0 0 "[ . 1]" 1
567 1 66 THR MG 1 70 ALA H . . 6.000 4.706 4.508 4.844 . 0 0 "[ . 1]" 1
568 1 67 LYS H 1 67 LYS HB2 . . 3.500 2.294 2.017 2.696 . 0 0 "[ . 1]" 1
569 1 67 LYS H 1 67 LYS HB3 . . 3.500 2.758 2.362 3.279 . 0 0 "[ . 1]" 1
570 1 67 LYS H 1 67 LYS HG2 . . 5.000 4.459 4.320 4.613 . 0 0 "[ . 1]" 1
571 1 67 LYS H 1 67 LYS HG3 . . 5.000 4.146 3.492 4.536 . 0 0 "[ . 1]" 1
572 1 67 LYS H 1 67 LYS QD . . 6.000 4.142 3.487 4.461 . 0 0 "[ . 1]" 1
573 1 67 LYS H 1 67 LYS QE . . 6.000 4.916 4.645 5.342 . 0 0 "[ . 1]" 1
574 1 67 LYS H 1 68 ALA H . . 3.500 2.656 2.301 2.826 . 0 0 "[ . 1]" 1
575 1 67 LYS H 1 68 ALA MB . . 6.000 4.182 3.954 4.350 . 0 0 "[ . 1]" 1
576 1 67 LYS H 1 69 GLU H . . 5.000 3.916 3.667 4.152 . 0 0 "[ . 1]" 1
577 1 67 LYS H 1 70 ALA MB . . 6.000 4.675 4.463 4.810 . 0 0 "[ . 1]" 1
578 1 67 LYS HA 1 67 LYS QE . . 6.000 4.089 3.355 4.831 . 0 0 "[ . 1]" 1
579 1 67 LYS HA 1 68 ALA H . . 5.000 3.616 3.582 3.636 . 0 0 "[ . 1]" 1
580 1 67 LYS HA 1 70 ALA H . . 5.000 3.346 3.060 3.503 . 0 0 "[ . 1]" 1
581 1 67 LYS HA 1 70 ALA MB . . 6.000 2.571 2.306 2.836 . 0 0 "[ . 1]" 1
582 1 67 LYS HA 1 71 ALA H . . 5.000 4.115 3.757 4.435 . 0 0 "[ . 1]" 1
583 1 67 LYS HB2 1 68 ALA H . . 5.000 3.627 3.004 4.056 . 0 0 "[ . 1]" 1
584 1 67 LYS HB3 1 68 ALA H . . 5.000 2.708 2.359 2.875 . 0 0 "[ . 1]" 1
585 1 67 LYS QB 1 68 ALA MB . . 7.000 3.850 3.659 3.978 . 0 0 "[ . 1]" 1
586 1 67 LYS HG2 1 68 ALA H . . 5.000 4.310 3.568 4.939 . 0 0 "[ . 1]" 1
587 1 67 LYS HG3 1 68 ALA H . . 5.000 4.838 4.524 5.008 0.008 3 0 "[ . 1]" 1
588 1 67 LYS QG 1 68 ALA HA . . 6.000 4.337 3.564 5.289 . 0 0 "[ . 1]" 1
589 1 67 LYS HG2 1 70 ALA MB . . 6.000 4.237 3.776 4.785 . 0 0 "[ . 1]" 1
590 1 67 LYS HG3 1 70 ALA MB . . 6.000 3.743 3.288 4.477 . 0 0 "[ . 1]" 1
591 1 67 LYS QG 1 71 ALA H . . 6.000 4.377 3.718 4.975 . 0 0 "[ . 1]" 1
592 1 67 LYS QG 1 71 ALA MB . . 7.000 3.980 3.314 4.389 . 0 0 "[ . 1]" 1
593 1 68 ALA H 1 69 GLU H . . 3.500 2.707 2.546 2.858 . 0 0 "[ . 1]" 1
594 1 68 ALA H 1 69 GLU QB . . 6.000 4.453 4.244 4.780 . 0 0 "[ . 1]" 1
595 1 68 ALA H 1 70 ALA H . . 5.000 4.459 4.034 4.683 . 0 0 "[ . 1]" 1
596 1 68 ALA HA 1 69 GLU H . . 5.000 3.580 3.548 3.613 . 0 0 "[ . 1]" 1
597 1 68 ALA HA 1 71 ALA MB . . 6.000 2.933 2.579 3.517 . 0 0 "[ . 1]" 1
598 1 68 ALA HA 1 72 PHE H . . 5.000 4.022 3.747 4.242 . 0 0 "[ . 1]" 1
599 1 68 ALA MB 1 69 GLU H . . 6.000 2.751 2.576 2.942 . 0 0 "[ . 1]" 1
600 1 68 ALA MB 1 69 GLU QB . . 7.000 3.926 3.735 4.159 . 0 0 "[ . 1]" 1
601 1 68 ALA MB 1 70 ALA H . . 6.000 4.835 4.606 4.997 . 0 0 "[ . 1]" 1
602 1 68 ALA MB 1 71 ALA MB . . 7.000 4.138 3.904 4.645 . 0 0 "[ . 1]" 1
603 1 68 ALA MB 1 72 PHE H . . 6.000 4.508 4.266 4.772 . 0 0 "[ . 1]" 1
604 1 69 GLU H 1 70 ALA H . . 3.500 2.708 2.397 2.901 . 0 0 "[ . 1]" 1
605 1 69 GLU H 1 70 ALA MB . . 6.000 4.171 4.015 4.345 . 0 0 "[ . 1]" 1
606 1 69 GLU H 1 71 ALA H . . 5.000 4.198 3.770 4.636 . 0 0 "[ . 1]" 1
607 1 69 GLU HA 1 70 ALA H . . 5.000 3.633 3.590 3.644 . 0 0 "[ . 1]" 1
608 1 69 GLU HA 1 72 PHE H . . 5.000 3.278 3.003 3.407 . 0 0 "[ . 1]" 1
609 1 69 GLU HA 1 72 PHE QB . . 6.000 2.126 1.967 2.298 . 0 0 "[ . 1]" 1
610 1 69 GLU HA 1 73 LYS H . . 5.000 4.151 3.523 4.642 . 0 0 "[ . 1]" 1
611 1 69 GLU HB2 1 70 ALA H . . 5.000 3.413 2.714 3.894 . 0 0 "[ . 1]" 1
612 1 69 GLU HB3 1 70 ALA H . . 5.000 2.638 2.214 3.990 . 0 0 "[ . 1]" 1
613 1 69 GLU QB 1 70 ALA MB . . 7.000 3.834 3.608 4.634 . 0 0 "[ . 1]" 1
614 1 69 GLU HG2 1 70 ALA H . . 5.000 4.489 2.417 4.955 . 0 0 "[ . 1]" 1
615 1 69 GLU HG3 1 70 ALA H . . 5.000 4.648 2.284 4.994 . 0 0 "[ . 1]" 1
616 1 70 ALA H 1 71 ALA H . . 3.500 2.955 2.813 3.197 . 0 0 "[ . 1]" 1
617 1 70 ALA H 1 72 PHE H . . 5.000 4.341 3.990 4.473 . 0 0 "[ . 1]" 1
618 1 70 ALA HA 1 71 ALA H . . 5.000 3.618 3.554 3.642 . 0 0 "[ . 1]" 1
619 1 70 ALA HA 1 73 LYS H . . 5.000 3.650 3.414 3.967 . 0 0 "[ . 1]" 1
620 1 70 ALA HA 1 73 LYS QB . . 6.000 2.804 2.473 3.134 . 0 0 "[ . 1]" 1
621 1 70 ALA HA 1 73 LYS QG . . 6.000 4.341 3.798 5.127 . 0 0 "[ . 1]" 1
622 1 70 ALA HA 1 73 LYS QD . . 6.000 4.122 2.511 5.392 . 0 0 "[ . 1]" 1
623 1 70 ALA HA 1 74 LYS H . . 5.000 4.886 4.525 5.008 0.008 10 0 "[ . 1]" 1
624 1 70 ALA MB 1 71 ALA H . . 6.000 2.487 2.130 2.897 . 0 0 "[ . 1]" 1
625 1 70 ALA MB 1 73 LYS QB . . 7.000 4.096 3.771 4.462 . 0 0 "[ . 1]" 1
626 1 70 ALA MB 1 74 LYS QE . . 7.000 3.900 2.969 4.932 . 0 0 "[ . 1]" 1
627 1 71 ALA H 1 72 PHE H . . 3.500 2.733 2.434 2.904 . 0 0 "[ . 1]" 1
628 1 71 ALA HA 1 72 PHE H . . 5.000 3.629 3.609 3.638 . 0 0 "[ . 1]" 1
629 1 71 ALA HA 1 74 LYS H . . 5.000 3.217 2.821 3.412 . 0 0 "[ . 1]" 1
630 1 71 ALA HA 1 74 LYS QB . . 6.000 2.833 2.367 3.999 . 0 0 "[ . 1]" 1
631 1 71 ALA HA 1 74 LYS QD . . 6.000 3.400 1.874 4.383 . 0 0 "[ . 1]" 1
632 1 71 ALA MB 1 72 PHE H . . 6.000 2.486 2.330 2.632 . 0 0 "[ . 1]" 1
633 1 71 ALA MB 1 73 LYS H . . 6.000 4.330 4.082 4.631 . 0 0 "[ . 1]" 1
634 1 71 ALA MB 1 74 LYS H . . 6.000 4.278 4.077 4.364 . 0 0 "[ . 1]" 1
635 1 71 ALA MB 1 74 LYS QB . . 7.000 4.091 3.779 5.017 . 0 0 "[ . 1]" 1
636 1 71 ALA MB 1 75 LEU MD1 . . 7.000 2.517 1.958 3.470 . 0 0 "[ . 1]" 1
637 1 72 PHE H 1 72 PHE QB . . 3.900 1.982 1.863 2.107 . 0 0 "[ . 1]" 1
638 1 72 PHE H 1 73 LYS H . . 3.500 2.852 2.677 3.039 . 0 0 "[ . 1]" 1
639 1 72 PHE H 1 73 LYS QB . . 6.000 4.517 4.220 4.879 . 0 0 "[ . 1]" 1
640 1 72 PHE H 1 74 LYS H . . 5.000 4.121 3.893 4.350 . 0 0 "[ . 1]" 1
641 1 72 PHE H 1 75 LEU QB . . 6.000 4.749 4.373 5.081 . 0 0 "[ . 1]" 1
642 1 72 PHE HA 1 75 LEU H . . 5.000 3.274 2.861 3.988 . 0 0 "[ . 1]" 1
643 1 72 PHE HA 1 75 LEU QB . . 6.000 2.396 1.986 2.732 . 0 0 "[ . 1]" 1
644 1 72 PHE HA 1 75 LEU HG . . 5.000 3.177 2.228 4.014 . 0 0 "[ . 1]" 1
645 1 72 PHE HA 1 75 LEU MD1 . . 6.000 2.485 2.249 2.984 . 0 0 "[ . 1]" 1
646 1 72 PHE HA 1 75 LEU MD2 . . 6.000 4.483 3.934 5.048 . 0 0 "[ . 1]" 1
647 1 72 PHE HB2 1 73 LYS H . . 5.000 3.680 2.819 4.397 . 0 0 "[ . 1]" 1
648 1 72 PHE HB3 1 73 LYS H . . 5.000 2.917 2.316 3.341 . 0 0 "[ . 1]" 1
649 1 72 PHE QB 1 74 LYS H . . 6.000 4.562 4.247 4.887 . 0 0 "[ . 1]" 1
650 1 73 LYS H 1 73 LYS HG2 . . 5.000 3.971 3.236 4.504 . 0 0 "[ . 1]" 1
651 1 73 LYS H 1 73 LYS HG3 . . 5.000 3.863 2.153 4.582 . 0 0 "[ . 1]" 1
652 1 73 LYS H 1 73 LYS QD . . 6.000 4.391 3.403 4.701 . 0 0 "[ . 1]" 1
653 1 73 LYS H 1 74 LYS H . . 3.500 2.486 2.182 2.830 . 0 0 "[ . 1]" 1
654 1 73 LYS H 1 75 LEU H . . 5.000 3.971 3.767 4.364 . 0 0 "[ . 1]" 1
655 1 73 LYS HA 1 73 LYS QE . . 6.000 3.764 2.600 4.623 . 0 0 "[ . 1]" 1
656 1 73 LYS HA 1 74 LYS H . . 5.000 3.528 3.449 3.587 . 0 0 "[ . 1]" 1
657 1 73 LYS HA 1 75 LEU H . . 5.000 4.306 3.449 4.985 . 0 0 "[ . 1]" 1
658 1 73 LYS HA 1 80 LYS HE2 . . 5.000 4.978 4.814 5.009 0.009 3 0 "[ . 1]" 1
659 1 73 LYS HA 1 80 LYS HE3 . . 5.000 4.381 3.965 4.713 . 0 0 "[ . 1]" 1
660 1 73 LYS QB 1 74 LYS H . . 6.000 3.028 2.785 3.277 . 0 0 "[ . 1]" 1
661 1 74 LYS H 1 74 LYS HG2 . . 5.000 4.012 2.374 4.651 . 0 0 "[ . 1]" 1
662 1 74 LYS H 1 74 LYS HG3 . . 5.000 3.465 2.414 4.001 . 0 0 "[ . 1]" 1
663 1 74 LYS H 1 74 LYS QE . . 6.000 4.262 3.418 5.092 . 0 0 "[ . 1]" 1
664 1 74 LYS H 1 75 LEU HA . . 5.000 4.884 4.673 4.981 . 0 0 "[ . 1]" 1
665 1 74 LYS H 1 75 LEU MD1 . . 6.000 4.699 4.131 4.960 . 0 0 "[ . 1]" 1
666 1 74 LYS H 1 75 LEU MD2 . . 6.000 4.709 3.726 4.961 . 0 0 "[ . 1]" 1
667 1 74 LYS HA 1 75 LEU H . . 5.000 3.457 3.031 3.625 . 0 0 "[ . 1]" 1
668 1 74 LYS QB 1 75 LEU MD2 . . 7.000 3.653 2.818 4.325 . 0 0 "[ . 1]" 1
669 1 75 LEU H 1 75 LEU HG . . 5.000 2.350 1.953 3.136 . 0 0 "[ . 1]" 1
670 1 75 LEU H 1 76 THR H . . 5.000 4.600 4.417 4.661 . 0 0 "[ . 1]" 1
671 1 75 LEU H 1 80 LYS QG . . 6.000 4.591 4.335 5.009 . 0 0 "[ . 1]" 1
672 1 75 LEU H 1 80 LYS HE2 . . 5.000 4.467 3.876 4.958 . 0 0 "[ . 1]" 1
673 1 75 LEU H 1 80 LYS HE3 . . 5.000 3.855 3.167 4.563 . 0 0 "[ . 1]" 1
674 1 75 LEU HA 1 76 THR H . . 3.500 2.466 2.351 2.551 . 0 0 "[ . 1]" 1
675 1 75 LEU HA 1 79 GLN QB . . 6.000 2.442 1.926 2.761 . 0 0 "[ . 1]" 1
676 1 75 LEU HA 1 80 LYS QD . . 6.000 4.268 3.893 4.832 . 0 0 "[ . 1]" 1
677 1 75 LEU HB2 1 76 THR H . . 5.000 3.619 3.440 3.838 . 0 0 "[ . 1]" 1
678 1 75 LEU HB3 1 76 THR H . . 5.000 2.505 2.337 2.761 . 0 0 "[ . 1]" 1
679 1 75 LEU QB 1 76 THR MG . . 7.000 4.084 3.885 4.401 . 0 0 "[ . 1]" 1
680 1 75 LEU QB 1 79 GLN H . . 6.000 4.311 4.007 4.524 . 0 0 "[ . 1]" 1
681 1 75 LEU QB 1 79 GLN HB2 . . 6.000 2.704 1.986 3.258 . 0 0 "[ . 1]" 1
682 1 75 LEU QB 1 79 GLN HB3 . . 6.000 2.107 1.957 2.675 . 0 0 "[ . 1]" 1
683 1 75 LEU QB 1 79 GLN QG . . 7.000 3.691 3.532 3.825 . 0 0 "[ . 1]" 1
684 1 75 LEU HB2 1 80 LYS H . . 5.000 4.193 3.711 4.614 . 0 0 "[ . 1]" 1
685 1 75 LEU HB3 1 80 LYS H . . 5.000 2.894 2.386 3.288 . 0 0 "[ . 1]" 1
686 1 75 LEU QB 1 80 LYS HA . . 6.000 3.234 2.728 3.705 . 0 0 "[ . 1]" 1
687 1 75 LEU QB 1 80 LYS QG . . 7.000 2.009 1.773 2.412 . 0 0 "[ . 1]" 1
688 1 75 LEU QB 1 80 LYS QD . . 7.000 2.652 2.389 3.058 . 0 0 "[ . 1]" 1
689 1 75 LEU QB 1 80 LYS QE . . 7.000 2.406 1.987 3.013 . 0 0 "[ . 1]" 1
690 1 75 LEU MD1 1 76 THR H . . 6.000 4.532 4.286 4.805 . 0 0 "[ . 1]" 1
691 1 75 LEU MD2 1 76 THR H . . 6.000 3.491 3.366 3.566 . 0 0 "[ . 1]" 1
692 1 75 LEU MD2 1 79 GLN H . . 6.000 4.479 4.251 4.613 . 0 0 "[ . 1]" 1
693 1 75 LEU MD2 1 79 GLN HA . . 6.000 3.840 3.349 4.348 . 0 0 "[ . 1]" 1
694 1 75 LEU MD1 1 79 GLN HB2 . . 6.000 4.303 3.167 5.001 . 0 0 "[ . 1]" 1
695 1 75 LEU MD1 1 79 GLN HB3 . . 6.000 3.043 2.401 3.579 . 0 0 "[ . 1]" 1
696 1 75 LEU MD2 1 79 GLN HB2 . . 6.000 2.755 2.320 3.138 . 0 0 "[ . 1]" 1
697 1 75 LEU MD2 1 79 GLN HB3 . . 6.000 1.925 1.821 2.185 . 0 0 "[ . 1]" 1
698 1 75 LEU MD2 1 79 GLN QG . . 7.000 2.003 1.759 2.456 . 0 0 "[ . 1]" 1
699 1 75 LEU MD2 1 79 GLN QE . . 7.000 3.142 2.014 4.070 . 0 0 "[ . 1]" 1
700 1 75 LEU MD1 1 80 LYS H . . 6.000 4.103 3.801 4.418 . 0 0 "[ . 1]" 1
701 1 75 LEU MD1 1 80 LYS HA . . 6.000 2.853 2.397 3.303 . 0 0 "[ . 1]" 1
702 1 75 LEU MD1 1 80 LYS QG . . 7.000 2.491 2.239 2.699 . 0 0 "[ . 1]" 1
703 1 75 LEU MD2 1 80 LYS QD . . 7.000 4.739 4.486 5.083 . 0 0 "[ . 1]" 1
704 1 75 LEU MD1 1 83 TYR H . . 6.000 4.442 3.868 4.903 . 0 0 "[ . 1]" 1
705 1 75 LEU MD1 1 83 TYR HB2 . . 6.000 2.893 1.980 4.281 . 0 0 "[ . 1]" 1
706 1 75 LEU MD1 1 83 TYR HB3 . . 6.000 3.386 2.336 4.696 . 0 0 "[ . 1]" 1
707 1 75 LEU MD1 1 83 TYR QD . . 8.000 3.177 2.083 4.947 . 0 0 "[ . 1]" 1
708 1 76 THR H 1 78 LYS H . . 3.500 3.587 3.510 3.655 0.155 6 0 "[ . 1]" 1
709 1 76 THR H 1 79 GLN H . . 5.000 2.926 2.805 3.029 . 0 0 "[ . 1]" 1
710 1 76 THR H 1 79 GLN HA . . 5.000 4.466 4.079 4.756 . 0 0 "[ . 1]" 1
711 1 76 THR H 1 79 GLN HB2 . . 5.000 1.961 1.916 2.043 . 0 0 "[ . 1]" 1
712 1 76 THR H 1 79 GLN HB3 . . 5.000 2.928 2.251 3.712 . 0 0 "[ . 1]" 1
713 1 76 THR H 1 79 GLN QG . . 6.000 3.917 2.948 4.221 . 0 0 "[ . 1]" 1
714 1 76 THR H 1 79 GLN QE . . 6.000 4.573 3.580 5.387 . 0 0 "[ . 1]" 1
715 1 76 THR H 1 80 LYS HD2 . . 5.000 3.011 2.696 3.313 . 0 0 "[ . 1]" 1
716 1 76 THR H 1 80 LYS HD3 . . 5.000 4.576 4.280 5.005 0.005 6 0 "[ . 1]" 1
717 1 76 THR HA 1 77 ARG H . . 5.000 2.699 2.605 2.814 . 0 0 "[ . 1]" 1
718 1 76 THR HA 1 78 LYS H . . 5.000 4.059 4.003 4.110 . 0 0 "[ . 1]" 1
719 1 76 THR HB 1 77 ARG H . . 5.000 3.636 3.567 3.859 . 0 0 "[ . 1]" 1
720 1 76 THR HB 1 78 LYS H . . 5.000 4.177 4.123 4.216 . 0 0 "[ . 1]" 1
721 1 76 THR MG 1 77 ARG H . . 6.000 2.990 2.605 3.424 . 0 0 "[ . 1]" 1
722 1 76 THR MG 1 77 ARG HA . . 6.000 4.437 4.157 4.730 . 0 0 "[ . 1]" 1
723 1 76 THR MG 1 78 LYS H . . 6.000 1.836 1.718 1.918 . 0 0 "[ . 1]" 1
724 1 76 THR MG 1 78 LYS QB . . 7.000 2.241 2.006 2.452 . 0 0 "[ . 1]" 1
725 1 76 THR MG 1 78 LYS QG . . 7.000 3.956 3.595 4.311 . 0 0 "[ . 1]" 1
726 1 76 THR MG 1 79 GLN H . . 6.000 1.977 1.880 2.155 . 0 0 "[ . 1]" 1
727 1 76 THR MG 1 79 GLN HB2 . . 6.000 2.555 1.948 3.228 . 0 0 "[ . 1]" 1
728 1 76 THR MG 1 79 GLN HB3 . . 6.000 3.980 3.325 4.593 . 0 0 "[ . 1]" 1
729 1 76 THR MG 1 79 GLN QG . . 7.000 3.896 2.827 4.438 . 0 0 "[ . 1]" 1
730 1 76 THR MG 1 79 GLN QE . . 7.000 3.807 2.623 4.678 . 0 0 "[ . 1]" 1
731 1 76 THR MG 1 80 LYS QD . . 7.000 4.058 3.904 4.284 . 0 0 "[ . 1]" 1
732 1 77 ARG H 1 77 ARG HG2 . . 5.000 2.977 2.031 4.427 . 0 0 "[ . 1]" 1
733 1 77 ARG H 1 77 ARG HG3 . . 5.000 3.859 3.222 4.473 . 0 0 "[ . 1]" 1
734 1 77 ARG H 1 77 ARG QD . . 6.000 3.448 2.287 4.709 . 0 0 "[ . 1]" 1
735 1 77 ARG H 1 78 LYS H . . 5.000 2.770 2.664 2.929 . 0 0 "[ . 1]" 1
736 1 77 ARG HA 1 80 LYS QB . . 6.000 3.008 2.666 3.283 . 0 0 "[ . 1]" 1
737 1 77 ARG HA 1 80 LYS HD2 . . 5.000 3.916 3.321 4.223 . 0 0 "[ . 1]" 1
738 1 77 ARG HA 1 80 LYS HD3 . . 5.000 3.363 2.780 4.078 . 0 0 "[ . 1]" 1
739 1 77 ARG HB2 1 78 LYS H . . 5.000 4.177 3.684 4.362 . 0 0 "[ . 1]" 1
740 1 77 ARG HB3 1 78 LYS H . . 5.000 3.903 3.092 4.286 . 0 0 "[ . 1]" 1
741 1 77 ARG QB 1 81 GLU QB . . 7.000 4.716 3.949 5.396 . 0 0 "[ . 1]" 1
742 1 77 ARG QG 1 78 LYS H . . 6.000 2.970 2.210 4.497 . 0 0 "[ . 1]" 1
743 1 77 ARG QG 1 78 LYS QB . . 7.000 3.578 2.874 5.409 . 0 0 "[ . 1]" 1
744 1 77 ARG QD 1 78 LYS H . . 6.000 4.384 3.772 5.124 . 0 0 "[ . 1]" 1
745 1 78 LYS H 1 78 LYS HB2 . . 3.500 2.265 2.119 2.433 . 0 0 "[ . 1]" 1
746 1 78 LYS H 1 78 LYS HB3 . . 3.500 3.070 2.811 3.348 . 0 0 "[ . 1]" 1
747 1 78 LYS H 1 79 GLN H . . 3.500 2.701 2.638 2.804 . 0 0 "[ . 1]" 1
748 1 78 LYS H 1 79 GLN QB . . 6.000 4.080 3.945 4.413 . 0 0 "[ . 1]" 1
749 1 78 LYS H 1 80 LYS H . . 5.000 3.563 3.345 3.888 . 0 0 "[ . 1]" 1
750 1 78 LYS HA 1 79 GLN H . . 5.000 3.628 3.626 3.632 . 0 0 "[ . 1]" 1
751 1 78 LYS HA 1 81 GLU H . . 3.500 3.456 3.279 3.527 0.027 4 0 "[ . 1]" 1
752 1 78 LYS HA 1 81 GLU HB2 . . 5.000 3.324 2.821 3.913 . 0 0 "[ . 1]" 1
753 1 78 LYS HA 1 81 GLU HB3 . . 5.000 2.963 2.573 3.404 . 0 0 "[ . 1]" 1
754 1 78 LYS HA 1 81 GLU QG . . 6.000 4.531 4.213 4.739 . 0 0 "[ . 1]" 1
755 1 78 LYS HA 1 82 GLN H . . 5.000 4.284 3.951 4.544 . 0 0 "[ . 1]" 1
756 1 78 LYS HB2 1 79 GLN H . . 3.500 3.014 2.630 3.313 . 0 0 "[ . 1]" 1
757 1 78 LYS HB3 1 79 GLN H . . 5.000 2.154 1.983 2.452 . 0 0 "[ . 1]" 1
758 1 78 LYS HG2 1 79 GLN H . . 5.000 4.463 3.945 4.784 . 0 0 "[ . 1]" 1
759 1 78 LYS HG3 1 79 GLN H . . 5.000 4.624 4.131 4.844 . 0 0 "[ . 1]" 1
760 1 79 GLN H 1 80 LYS H . . 3.500 3.035 2.927 3.204 . 0 0 "[ . 1]" 1
761 1 79 GLN H 1 82 GLN H . . 5.000 4.879 4.665 5.000 . 0 0 "[ . 1]" 1
762 1 79 GLN H 1 82 GLN QB . . 6.000 4.785 4.305 5.125 . 0 0 "[ . 1]" 1
763 1 79 GLN HA 1 80 LYS H . . 5.000 3.605 3.561 3.645 . 0 0 "[ . 1]" 1
764 1 79 GLN HA 1 82 GLN H . . 5.000 3.576 3.324 3.834 . 0 0 "[ . 1]" 1
765 1 79 GLN HA 1 82 GLN QB . . 4.500 2.824 2.157 3.239 . 0 0 "[ . 1]" 1
766 1 79 GLN HB2 1 80 LYS H . . 5.000 3.040 2.642 3.419 . 0 0 "[ . 1]" 1
767 1 79 GLN HB3 1 80 LYS H . . 5.000 3.115 2.620 3.736 . 0 0 "[ . 1]" 1
768 1 80 LYS H 1 80 LYS QD . . 6.000 2.909 2.685 3.091 . 0 0 "[ . 1]" 1
769 1 80 LYS H 1 81 GLU H . . 5.000 2.847 2.721 2.983 . 0 0 "[ . 1]" 1
770 1 80 LYS H 1 82 GLN H . . 5.000 4.106 3.601 4.612 . 0 0 "[ . 1]" 1
771 1 80 LYS HA 1 81 GLU H . . 5.000 3.633 3.620 3.640 . 0 0 "[ . 1]" 1
772 1 80 LYS HA 1 82 GLN H . . 5.000 4.242 3.755 4.695 . 0 0 "[ . 1]" 1
773 1 80 LYS HA 1 83 TYR H . . 5.000 3.399 3.048 3.624 . 0 0 "[ . 1]" 1
774 1 80 LYS HA 1 83 TYR HB2 . . 5.000 3.323 2.881 4.081 . 0 0 "[ . 1]" 1
775 1 80 LYS HA 1 83 TYR HB3 . . 5.000 2.293 1.959 3.032 . 0 0 "[ . 1]" 1
776 1 80 LYS HA 1 83 TYR QD . . 7.000 3.266 2.322 4.836 . 0 0 "[ . 1]" 1
777 1 80 LYS QB 1 81 GLU H . . 6.000 2.483 2.313 2.622 . 0 0 "[ . 1]" 1
778 1 80 LYS QD 1 81 GLU H . . 6.000 4.374 4.218 4.536 . 0 0 "[ . 1]" 1
779 1 81 GLU H 1 81 GLU HG2 . . 5.000 4.588 4.409 4.659 . 0 0 "[ . 1]" 1
780 1 81 GLU H 1 81 GLU HG3 . . 5.000 4.321 4.166 4.410 . 0 0 "[ . 1]" 1
781 1 81 GLU H 1 82 GLN H . . 3.500 2.932 2.676 3.123 . 0 0 "[ . 1]" 1
782 1 81 GLU H 1 83 TYR H . . 5.000 4.485 4.302 4.740 . 0 0 "[ . 1]" 1
783 1 81 GLU HA 1 82 GLN H . . 5.000 3.581 3.456 3.640 . 0 0 "[ . 1]" 1
784 1 81 GLU HA 1 84 LEU H . . 5.000 3.850 3.229 4.160 . 0 0 "[ . 1]" 1
785 1 81 GLU HA 1 84 LEU QB . . 6.000 3.285 2.373 3.699 . 0 0 "[ . 1]" 1
786 1 81 GLU HA 1 84 LEU MD1 . . 6.000 3.723 2.775 4.898 . 0 0 "[ . 1]" 1
787 1 81 GLU HA 1 85 LYS H . . 5.000 4.235 3.721 4.453 . 0 0 "[ . 1]" 1
788 1 81 GLU QB 1 82 GLN H . . 4.500 2.658 2.308 3.171 . 0 0 "[ . 1]" 1
789 1 81 GLU QG 1 82 GLN H . . 6.000 3.840 3.350 4.375 . 0 0 "[ . 1]" 1
790 1 81 GLU QG 1 82 GLN HA . . 6.000 3.911 3.369 4.653 . 0 0 "[ . 1]" 1
791 1 81 GLU QG 1 82 GLN HE21 . . 6.000 4.041 3.135 4.608 . 0 0 "[ . 1]" 1
792 1 81 GLU QG 1 82 GLN HE22 . . 6.000 4.786 3.692 5.325 . 0 0 "[ . 1]" 1
793 1 82 GLN H 1 82 GLN HB2 . . 3.500 2.112 2.040 2.288 . 0 0 "[ . 1]" 1
794 1 82 GLN H 1 82 GLN HB3 . . 3.500 3.145 2.824 3.428 . 0 0 "[ . 1]" 1
795 1 82 GLN H 1 83 TYR H . . 3.500 2.612 2.466 2.736 . 0 0 "[ . 1]" 1
796 1 82 GLN H 1 83 TYR HB2 . . 5.000 4.983 4.817 5.046 0.046 4 0 "[ . 1]" 1
797 1 82 GLN H 1 83 TYR HB3 . . 5.000 4.248 4.070 4.416 . 0 0 "[ . 1]" 1
798 1 82 GLN H 1 85 LYS QB . . 6.000 4.504 4.074 5.321 . 0 0 "[ . 1]" 1
799 1 82 GLN HA 1 83 TYR H . . 5.000 3.626 3.592 3.645 . 0 0 "[ . 1]" 1
800 1 82 GLN HA 1 83 TYR HA . . 5.000 4.913 4.753 4.974 . 0 0 "[ . 1]" 1
801 1 82 GLN HA 1 85 LYS H . . 5.000 3.199 2.795 3.582 . 0 0 "[ . 1]" 1
802 1 82 GLN HA 1 85 LYS QB . . 6.000 2.329 1.881 3.234 . 0 0 "[ . 1]" 1
803 1 82 GLN HA 1 86 THR H . . 5.000 3.522 3.004 3.933 . 0 0 "[ . 1]" 1
804 1 82 GLN HB2 1 83 TYR H . . 5.000 3.130 2.708 3.491 . 0 0 "[ . 1]" 1
805 1 82 GLN HB3 1 83 TYR H . . 5.000 2.773 2.319 3.405 . 0 0 "[ . 1]" 1
806 1 82 GLN QG 1 83 TYR H . . 6.000 4.293 4.042 4.489 . 0 0 "[ . 1]" 1
807 1 83 TYR H 1 84 LEU H . . 3.500 2.926 2.502 3.153 . 0 0 "[ . 1]" 1
808 1 83 TYR H 1 84 LEU QB . . 6.000 4.828 4.279 5.064 . 0 0 "[ . 1]" 1
809 1 83 TYR H 1 85 LYS H . . 5.000 4.339 3.877 4.605 . 0 0 "[ . 1]" 1
810 1 83 TYR HA 1 83 TYR QE . . 6.000 4.899 4.740 5.108 . 0 0 "[ . 1]" 1
811 1 83 TYR HA 1 84 LEU H . . 5.000 3.601 3.532 3.637 . 0 0 "[ . 1]" 1
812 1 83 TYR HA 1 86 THR H . . 5.000 3.981 3.689 4.233 . 0 0 "[ . 1]" 1
813 1 83 TYR HA 1 86 THR MG . . 6.000 2.617 1.860 3.479 . 0 0 "[ . 1]" 1
814 1 83 TYR HB2 1 84 LEU H . . 5.000 3.984 3.821 4.204 . 0 0 "[ . 1]" 1
815 1 83 TYR HB3 1 84 LEU H . . 5.000 2.616 2.371 2.968 . 0 0 "[ . 1]" 1
816 1 83 TYR QB 1 84 LEU MD1 . . 7.000 3.322 2.354 4.845 . 0 0 "[ . 1]" 1
817 1 83 TYR QD 1 84 LEU H . . 7.000 3.235 2.374 3.922 . 0 0 "[ . 1]" 1
818 1 83 TYR QD 1 84 LEU MD1 . . 8.000 2.260 1.898 3.043 . 0 0 "[ . 1]" 1
819 1 83 TYR QD 1 84 LEU MD2 . . 8.000 3.448 1.802 4.427 . 0 0 "[ . 1]" 1
820 1 83 TYR QE 1 84 LEU MD1 . . 6.000 3.151 2.547 3.800 . 0 0 "[ . 1]" 1
821 1 83 TYR QE 1 84 LEU MD2 . . 6.000 3.735 3.010 4.286 . 0 0 "[ . 1]" 1
822 1 83 TYR QE 1 87 PHE HB2 . . 7.000 4.991 3.883 6.329 . 0 0 "[ . 1]" 1
823 1 83 TYR QE 1 87 PHE HB3 . . 7.000 5.339 3.992 6.166 . 0 0 "[ . 1]" 1
824 1 84 LEU H 1 85 LYS H . . 3.500 2.515 2.260 2.784 . 0 0 "[ . 1]" 1
825 1 84 LEU HA 1 85 LYS H . . 5.000 3.608 3.523 3.635 . 0 0 "[ . 1]" 1
826 1 84 LEU HA 1 87 PHE H . . 5.000 3.482 3.274 3.819 . 0 0 "[ . 1]" 1
827 1 84 LEU HA 1 88 HIS H . . 5.000 4.005 3.704 4.434 . 0 0 "[ . 1]" 1
828 1 84 LEU HB2 1 85 LYS H . . 5.000 2.729 2.484 3.101 . 0 0 "[ . 1]" 1
829 1 84 LEU HB3 1 85 LYS H . . 5.000 3.481 3.188 4.005 . 0 0 "[ . 1]" 1
830 1 84 LEU QB 1 87 PHE H . . 6.000 4.641 4.464 4.875 . 0 0 "[ . 1]" 1
831 1 84 LEU MD1 1 85 LYS H . . 6.000 4.136 3.657 4.690 . 0 0 "[ . 1]" 1
832 1 85 LYS H 1 85 LYS HG2 . . 5.000 4.329 3.502 4.620 . 0 0 "[ . 1]" 1
833 1 85 LYS H 1 85 LYS HG3 . . 5.000 3.965 2.616 4.473 . 0 0 "[ . 1]" 1
834 1 85 LYS H 1 85 LYS QD . . 6.000 4.248 3.808 4.611 . 0 0 "[ . 1]" 1
835 1 85 LYS H 1 86 THR H . . 2.900 2.894 2.778 2.978 0.078 3 0 "[ . 1]" 1
836 1 85 LYS H 1 86 THR MG . . 6.000 4.359 4.084 4.747 . 0 0 "[ . 1]" 1
837 1 85 LYS HA 1 87 PHE H . . 5.000 3.897 3.718 4.022 . 0 0 "[ . 1]" 1
838 1 85 LYS HA 1 88 HIS H . . 5.000 3.021 2.797 3.370 . 0 0 "[ . 1]" 1
839 1 85 LYS HA 1 89 LEU MD2 . . 6.000 4.467 3.618 4.791 . 0 0 "[ . 1]" 1
840 1 85 LYS QB 1 86 THR H . . 6.000 2.434 2.284 2.607 . 0 0 "[ . 1]" 1
841 1 85 LYS QB 1 87 PHE H . . 6.000 4.452 4.317 4.701 . 0 0 "[ . 1]" 1
842 1 85 LYS QG 1 86 THR H . . 6.000 3.967 3.493 4.346 . 0 0 "[ . 1]" 1
843 1 85 LYS QG 1 89 LEU MD1 . . 7.000 3.008 1.785 4.515 . 0 0 "[ . 1]" 1
844 1 85 LYS QG 1 89 LEU MD2 . . 7.000 3.035 2.143 4.694 . 0 0 "[ . 1]" 1
845 1 85 LYS QD 1 86 THR H . . 6.000 4.670 4.017 5.207 . 0 0 "[ . 1]" 1
846 1 85 LYS QE 1 89 LEU MD1 . . 7.000 3.538 2.210 4.649 . 0 0 "[ . 1]" 1
847 1 85 LYS QE 1 89 LEU MD2 . . 7.000 3.307 1.915 5.012 . 0 0 "[ . 1]" 1
848 1 86 THR H 1 87 PHE H . . 3.500 2.886 2.794 2.954 . 0 0 "[ . 1]" 1
849 1 86 THR HB 1 87 PHE H . . 5.000 3.865 3.684 4.096 . 0 0 "[ . 1]" 1
850 1 86 THR HA 1 87 PHE H . . 5.000 3.553 3.499 3.581 . 0 0 "[ . 1]" 1
851 1 86 THR HA 1 89 LEU MD1 . . 6.000 3.209 1.938 5.025 . 0 0 "[ . 1]" 1
852 1 86 THR HA 1 89 LEU MD2 . . 6.000 4.090 2.288 4.924 . 0 0 "[ . 1]" 1
853 1 86 THR MG 1 87 PHE H . . 6.000 2.736 1.954 3.999 . 0 0 "[ . 1]" 1
854 1 87 PHE H 1 88 HIS H . . 5.000 2.355 2.244 2.460 . 0 0 "[ . 1]" 1
855 1 87 PHE H 1 88 HIS HA . . 5.000 4.924 4.835 5.000 0.000 7 0 "[ . 1]" 1
856 1 87 PHE H 1 88 HIS QB . . 6.000 4.009 3.928 4.114 . 0 0 "[ . 1]" 1
857 1 87 PHE H 1 89 LEU QB . . 6.000 4.773 4.371 5.037 . 0 0 "[ . 1]" 1
858 1 87 PHE HA 1 88 HIS H . . 5.000 3.606 3.541 3.643 . 0 0 "[ . 1]" 1
859 1 87 PHE HA 1 90 GLU H . . 5.000 3.633 3.228 3.879 . 0 0 "[ . 1]" 1
860 1 87 PHE HB2 1 88 HIS H . . 5.000 3.869 3.423 4.201 . 0 0 "[ . 1]" 1
861 1 87 PHE HB3 1 88 HIS H . . 5.000 2.539 2.122 2.959 . 0 0 "[ . 1]" 1
862 1 87 PHE QD 1 88 HIS H . . 7.000 3.131 2.480 4.235 . 0 0 "[ . 1]" 1
863 1 88 HIS H 1 89 LEU H . . 3.500 2.744 2.548 2.984 . 0 0 "[ . 1]" 1
864 1 88 HIS HA 1 89 LEU H . . 5.000 3.584 3.420 3.623 . 0 0 "[ . 1]" 1
865 1 88 HIS HA 1 90 GLU H . . 5.000 4.787 4.365 4.991 . 0 0 "[ . 1]" 1
866 1 88 HIS HB2 1 89 LEU H . . 5.000 3.782 3.196 4.025 . 0 0 "[ . 1]" 1
867 1 88 HIS HB3 1 89 LEU H . . 5.000 2.867 2.644 3.655 . 0 0 "[ . 1]" 1
868 1 88 HIS QB 1 90 GLU H . . 6.000 5.173 4.941 5.300 . 0 0 "[ . 1]" 1
869 1 89 LEU H 1 90 GLU H . . 3.500 2.988 2.534 3.223 . 0 0 "[ . 1]" 1
870 1 89 LEU HA 1 90 GLU H . . 5.000 3.636 3.616 3.640 . 0 0 "[ . 1]" 1
871 1 89 LEU HB2 1 90 GLU H . . 3.500 2.513 2.279 3.141 . 0 0 "[ . 1]" 1
872 1 89 LEU HB3 1 90 GLU H . . 3.500 3.082 2.521 3.452 . 0 0 "[ . 1]" 1
873 1 89 LEU QB 1 90 GLU QB . . 7.000 3.565 3.204 3.795 . 0 0 "[ . 1]" 1
874 1 89 LEU MD1 1 90 GLU H . . 6.000 4.203 3.961 4.507 . 0 0 "[ . 1]" 1
875 1 89 LEU MD2 1 90 GLU H . . 6.000 4.566 4.236 4.729 . 0 0 "[ . 1]" 1
876 1 23 TYR QD 1 24 THR H . . 7.000 4.528 3.878 4.823 . 0 0 "[ . 1]" 1
877 1 23 TYR QD 1 65 ALA MB . . 8.000 4.566 2.599 5.613 . 0 0 "[ . 1]" 1
878 1 8 TYR QE 1 58 LYS HD2 . . 7.000 3.724 2.702 4.986 . 0 0 "[ . 1]" 1
879 1 8 TYR QE 1 58 LYS HD3 . . 7.000 3.593 2.295 4.688 . 0 0 "[ . 1]" 1
880 1 8 TYR QD 1 25 THR HA . . 7.000 3.813 1.997 4.862 . 0 0 "[ . 1]" 1
881 1 10 TYR QE 1 12 LEU QD . . 9.400 2.905 1.936 4.944 . 0 0 "[ . 1]" 1
882 1 10 TYR QD 1 12 LEU MD1 . . 8.000 3.493 1.989 4.910 . 0 0 "[ . 1]" 1
883 1 10 TYR QD 1 12 LEU MD2 . . 8.000 3.491 1.890 4.998 . 0 0 "[ . 1]" 1
884 1 10 TYR QD 1 24 THR MG . . 8.000 4.288 3.349 5.968 . 0 0 "[ . 1]" 1
885 1 10 TYR QD 1 53 MET ME . . 8.000 2.847 2.266 3.697 . 0 0 "[ . 1]" 1
886 1 9 PHE QD 1 10 TYR H . . 7.000 3.514 2.895 4.013 . 0 0 "[ . 1]" 1
887 1 9 PHE QD 1 57 GLU H . . 7.000 4.561 3.947 5.165 . 0 0 "[ . 1]" 1
888 1 9 PHE QD 1 68 ALA MB . . 8.000 3.907 2.769 4.616 . 0 0 "[ . 1]" 1
889 1 9 PHE QE 1 11 VAL MG2 . . 8.000 2.311 1.813 3.213 . 0 0 "[ . 1]" 1
890 1 9 PHE HZ 1 11 VAL MG2 . . 6.000 4.038 2.925 4.954 . 0 0 "[ . 1]" 1
891 1 72 PHE QD 1 75 LEU MD1 . . 8.000 3.624 2.355 4.878 . 0 0 "[ . 1]" 1
892 1 72 PHE QE 1 80 LYS HE2 . . 7.000 3.455 2.531 4.032 . 0 0 "[ . 1]" 1
893 1 72 PHE QE 1 80 LYS HE3 . . 7.000 4.608 3.824 5.182 . 0 0 "[ . 1]" 1
894 1 19 PHE QE 1 54 ILE MD . . 8.000 2.600 1.922 3.542 . 0 0 "[ . 1]" 1
895 1 19 PHE QE 1 81 GLU HA . . 7.000 5.068 3.603 6.068 . 0 0 "[ . 1]" 1
896 1 19 PHE HZ 1 54 ILE MD . . 6.000 4.173 3.331 4.826 . 0 0 "[ . 1]" 1
897 1 59 PHE QD 1 64 GLU QB . . 8.000 3.071 1.970 4.126 . 0 0 "[ . 1]" 1
898 1 59 PHE QD 1 65 ALA HA . . 7.000 3.087 2.597 3.600 . 0 0 "[ . 1]" 1
899 1 59 PHE QD 1 65 ALA MB . . 8.000 2.867 1.987 3.910 . 0 0 "[ . 1]" 1
900 1 59 PHE QD 1 68 ALA MB . . 8.000 3.654 3.378 4.084 . 0 0 "[ . 1]" 1
901 1 59 PHE QE 1 68 ALA MB . . 8.000 2.647 1.966 3.638 . 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 54
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 3.825
_Distance_constraint_stats_list.Viol_max 0.028
_Distance_constraint_stats_list.Viol_rms 0.0034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0091
_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 7 HIS 0.010 0.004 5 0 "[ . 1]"
1 8 TYR 0.118 0.028 8 0 "[ . 1]"
1 9 PHE 0.008 0.008 8 0 "[ . 1]"
1 10 TYR 0.015 0.006 6 0 "[ . 1]"
1 12 LEU 0.000 0.000 . 0 "[ . 1]"
1 13 LEU 0.053 0.025 9 0 "[ . 1]"
1 20 TYR 0.000 0.000 . 0 "[ . 1]"
1 22 GLY 0.015 0.006 6 0 "[ . 1]"
1 24 THR 0.118 0.028 8 0 "[ . 1]"
1 28 GLU 0.018 0.008 9 0 "[ . 1]"
1 29 ARG 0.000 0.000 . 0 "[ . 1]"
1 32 THR 0.018 0.008 9 0 "[ . 1]"
1 33 GLU 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 0.053 0.025 9 0 "[ . 1]"
1 57 GLU 0.008 0.008 8 0 "[ . 1]"
1 59 PHE 0.010 0.004 5 0 "[ . 1]"
1 63 SER 0.003 0.003 7 0 "[ . 1]"
1 64 GLU 0.000 0.000 . 0 "[ . 1]"
1 65 ALA 0.012 0.009 7 0 "[ . 1]"
1 66 THR 0.000 0.000 . 0 "[ . 1]"
1 67 LYS 0.003 0.003 7 0 "[ . 1]"
1 68 ALA 0.004 0.004 1 0 "[ . 1]"
1 69 GLU 0.032 0.012 7 0 "[ . 1]"
1 70 ALA 0.000 0.000 . 0 "[ . 1]"
1 71 ALA 0.000 0.000 . 0 "[ . 1]"
1 72 PHE 0.004 0.004 1 0 "[ . 1]"
1 73 LYS 0.020 0.012 7 0 "[ . 1]"
1 78 LYS 0.000 0.000 . 0 "[ . 1]"
1 79 GLN 0.030 0.019 9 0 "[ . 1]"
1 80 LYS 0.015 0.012 9 0 "[ . 1]"
1 81 GLU 0.077 0.025 9 0 "[ . 1]"
1 82 GLN 0.000 0.000 . 0 "[ . 1]"
1 83 TYR 0.030 0.019 9 0 "[ . 1]"
1 84 LEU 0.015 0.012 9 0 "[ . 1]"
1 85 LYS 0.077 0.025 9 0 "[ . 1]"
1 86 THR 0.000 0.000 . 0 "[ . 1]"
1 88 HIS 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 7 HIS O 1 59 PHE N . . 3.300 2.946 2.686 3.276 . 0 0 "[ . 1]" 2
2 1 7 HIS O 1 59 PHE H . . 2.300 2.119 1.833 2.304 0.004 5 0 "[ . 1]" 2
3 1 8 TYR O 1 24 THR N . . 3.300 3.116 2.906 3.238 . 0 0 "[ . 1]" 2
4 1 8 TYR O 1 24 THR H . . 2.300 2.196 1.988 2.328 0.028 8 0 "[ . 1]" 2
5 1 9 PHE O 1 57 GLU N . . 3.300 2.999 2.620 3.295 . 0 0 "[ . 1]" 2
6 1 9 PHE O 1 57 GLU H . . 2.300 2.176 1.933 2.308 0.008 8 0 "[ . 1]" 2
7 1 10 TYR O 1 22 GLY N . . 3.300 3.132 2.993 3.241 . 0 0 "[ . 1]" 2
8 1 10 TYR O 1 22 GLY H . . 2.300 2.237 2.022 2.306 0.006 6 0 "[ . 1]" 2
9 1 12 LEU O 1 20 TYR N . . 3.300 3.066 2.810 3.243 . 0 0 "[ . 1]" 2
10 1 12 LEU O 1 20 TYR H . . 2.300 2.114 1.827 2.260 . 0 0 "[ . 1]" 2
11 1 13 LEU O 1 52 ILE N . . 3.300 3.177 2.842 3.274 . 0 0 "[ . 1]" 2
12 1 13 LEU O 1 52 ILE H . . 2.300 2.258 1.913 2.325 0.025 9 0 "[ . 1]" 2
13 1 12 LEU N 1 20 TYR O . . 3.300 2.972 2.691 3.127 . 0 0 "[ . 1]" 2
14 1 12 LEU H 1 20 TYR O . . 2.300 2.162 2.023 2.296 . 0 0 "[ . 1]" 2
15 1 10 TYR N 1 22 GLY O . . 3.300 3.073 2.884 3.243 . 0 0 "[ . 1]" 2
16 1 10 TYR H 1 22 GLY O . . 2.300 2.140 1.912 2.302 0.002 2 0 "[ . 1]" 2
17 1 8 TYR N 1 24 THR O . . 3.300 3.175 2.981 3.262 . 0 0 "[ . 1]" 2
18 1 8 TYR H 1 24 THR O . . 2.300 2.284 2.227 2.323 0.023 6 0 "[ . 1]" 2
19 1 28 GLU O 1 32 THR N . . 3.300 3.172 2.826 3.302 0.002 10 0 "[ . 1]" 2
20 1 28 GLU O 1 32 THR H . . 2.300 2.198 1.868 2.308 0.008 9 0 "[ . 1]" 2
21 1 29 ARG O 1 33 GLU N . . 3.300 2.918 2.581 3.086 . 0 0 "[ . 1]" 2
22 1 29 ARG O 1 33 GLU H . . 2.300 2.026 1.708 2.223 . 0 0 "[ . 1]" 2
23 1 13 LEU N 1 52 ILE O . . 3.300 2.910 2.673 3.183 . 0 0 "[ . 1]" 2
24 1 13 LEU H 1 52 ILE O . . 2.300 2.037 1.827 2.301 0.001 6 0 "[ . 1]" 2
25 1 9 PHE N 1 57 GLU O . . 3.300 2.820 2.507 3.154 . 0 0 "[ . 1]" 2
26 1 9 PHE H 1 57 GLU O . . 2.300 2.038 1.615 2.286 . 0 0 "[ . 1]" 2
27 1 7 HIS N 1 59 PHE O . . 3.300 2.997 2.558 3.241 . 0 0 "[ . 1]" 2
28 1 7 HIS H 1 59 PHE O . . 2.300 2.117 1.787 2.301 0.001 4 0 "[ . 1]" 2
29 1 63 SER O 1 67 LYS N . . 3.300 2.961 2.657 3.180 . 0 0 "[ . 1]" 2
30 1 63 SER O 1 67 LYS H . . 2.300 2.126 1.775 2.303 0.003 7 0 "[ . 1]" 2
31 1 64 GLU O 1 68 ALA N . . 3.300 2.662 2.502 2.930 . 0 0 "[ . 1]" 2
32 1 64 GLU O 1 68 ALA H . . 2.300 1.737 1.553 2.027 . 0 0 "[ . 1]" 2
33 1 65 ALA O 1 69 GLU N . . 3.300 3.059 2.760 3.205 . 0 0 "[ . 1]" 2
34 1 65 ALA O 1 69 GLU H . . 2.300 2.169 1.836 2.309 0.009 7 0 "[ . 1]" 2
35 1 66 THR O 1 70 ALA N . . 3.300 2.898 2.663 3.077 . 0 0 "[ . 1]" 2
36 1 66 THR O 1 70 ALA H . . 2.300 1.926 1.667 2.201 . 0 0 "[ . 1]" 2
37 1 67 LYS O 1 71 ALA N . . 3.300 3.032 2.744 3.255 . 0 0 "[ . 1]" 2
38 1 67 LYS O 1 71 ALA H . . 2.300 2.072 1.750 2.292 . 0 0 "[ . 1]" 2
39 1 68 ALA O 1 72 PHE N . . 3.300 2.887 2.667 3.186 . 0 0 "[ . 1]" 2
40 1 68 ALA O 1 72 PHE H . . 2.300 1.928 1.694 2.304 0.004 1 0 "[ . 1]" 2
41 1 69 GLU O 1 73 LYS N . . 3.300 2.751 2.543 3.009 . 0 0 "[ . 1]" 2
42 1 69 GLU O 1 73 LYS H . . 2.300 1.976 1.545 2.312 0.012 7 0 "[ . 1]" 2
43 1 78 LYS O 1 82 GLN N . . 3.300 2.953 2.606 3.169 . 0 0 "[ . 1]" 2
44 1 78 LYS O 1 82 GLN H . . 2.300 2.085 1.857 2.297 . 0 0 "[ . 1]" 2
45 1 79 GLN O 1 83 TYR N . . 3.300 2.705 2.485 3.155 . 0 0 "[ . 1]" 2
46 1 79 GLN O 1 83 TYR H . . 2.300 1.791 1.535 2.319 0.019 9 0 "[ . 1]" 2
47 1 80 LYS O 1 84 LEU N . . 3.300 2.958 2.647 3.232 . 0 0 "[ . 1]" 2
48 1 80 LYS O 1 84 LEU H . . 2.300 2.021 1.657 2.312 0.012 9 0 "[ . 1]" 2
49 1 81 GLU O 1 85 LYS N . . 3.300 3.037 2.669 3.304 0.004 9 0 "[ . 1]" 2
50 1 81 GLU O 1 85 LYS H . . 2.300 2.117 1.757 2.325 0.025 9 0 "[ . 1]" 2
51 1 82 GLN O 1 86 THR N . . 3.300 2.662 2.473 2.956 . 0 0 "[ . 1]" 2
52 1 82 GLN O 1 86 THR H . . 2.300 1.717 1.485 1.998 . 0 0 "[ . 1]" 2
53 1 84 LEU O 1 88 HIS N . . 3.300 2.605 2.498 2.768 . 0 0 "[ . 1]" 2
54 1 84 LEU O 1 88 HIS H . . 2.300 1.688 1.532 1.955 . 0 0 "[ . 1]" 2
stop_
save_
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