NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373617 |
1dvv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dvv
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 1014
_Distance_constraint_stats_list.Viol_count 1460
_Distance_constraint_stats_list.Viol_total 1180.912
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0404
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.007 0.007 9 0 "[ . 1 . 2]"
1 2 ASP 0.304 0.045 15 0 "[ . 1 . 2]"
1 3 PRO 1.386 0.078 8 0 "[ . 1 . 2]"
1 4 GLU 0.770 0.078 1 0 "[ . 1 . 2]"
1 5 VAL 1.451 0.085 13 0 "[ . 1 . 2]"
1 6 LEU 2.707 0.085 13 0 "[ . 1 . 2]"
1 7 ALA 0.455 0.061 11 0 "[ . 1 . 2]"
1 8 LYS 0.158 0.044 1 0 "[ . 1 . 2]"
1 9 ASN 0.976 0.067 8 0 "[ . 1 . 2]"
1 10 LYS 0.836 0.089 2 0 "[ . 1 . 2]"
1 11 GLY 0.013 0.010 2 0 "[ . 1 . 2]"
1 12 CYS 1.605 0.089 2 0 "[ . 1 . 2]"
1 13 MET 1.743 0.086 7 0 "[ . 1 . 2]"
1 14 ALA 1.893 0.076 11 0 "[ . 1 . 2]"
1 15 CYS 2.479 0.101 20 0 "[ . 1 . 2]"
1 16 HIS 1.441 0.086 7 0 "[ . 1 . 2]"
1 17 ALA 0.025 0.012 11 0 "[ . 1 . 2]"
1 18 ILE 3.496 0.120 8 0 "[ . 1 . 2]"
1 19 ASP 2.844 0.119 15 0 "[ . 1 . 2]"
1 20 THR 1.148 0.200 18 0 "[ . 1 . 2]"
1 21 LYS 1.649 0.091 12 0 "[ . 1 . 2]"
1 22 MET 0.299 0.045 7 0 "[ . 1 . 2]"
1 23 VAL 1.380 0.081 14 0 "[ . 1 . 2]"
1 24 GLY 0.768 0.061 11 0 "[ . 1 . 2]"
1 25 PRO 0.041 0.032 20 0 "[ . 1 . 2]"
1 26 ALA 0.073 0.024 14 0 "[ . 1 . 2]"
1 27 TYR 2.361 0.120 8 0 "[ . 1 . 2]"
1 28 LYS 1.608 0.075 7 0 "[ . 1 . 2]"
1 29 ASP 2.622 0.093 4 0 "[ . 1 . 2]"
1 30 VAL 1.254 0.065 17 0 "[ . 1 . 2]"
1 31 ALA 1.823 0.065 17 0 "[ . 1 . 2]"
1 32 ALA 0.605 0.050 16 0 "[ . 1 . 2]"
1 33 LYS 2.444 0.067 3 0 "[ . 1 . 2]"
1 34 TYR 0.637 0.058 12 0 "[ . 1 . 2]"
1 35 ALA 0.635 0.067 3 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.938 0.052 12 0 "[ . 1 . 2]"
1 39 GLY 0.020 0.011 3 0 "[ . 1 . 2]"
1 40 ALA 2.281 0.092 7 0 "[ . 1 . 2]"
1 41 GLU 0.971 0.073 14 0 "[ . 1 . 2]"
1 42 ALA 0.270 0.057 11 0 "[ . 1 . 2]"
1 43 TYR 4.566 0.205 3 0 "[ . 1 . 2]"
1 44 LEU 0.837 0.063 2 0 "[ . 1 . 2]"
1 45 ALA 1.722 0.082 15 0 "[ . 1 . 2]"
1 46 GLN 6.340 0.205 3 0 "[ . 1 . 2]"
1 47 ARG 1.157 0.093 3 0 "[ . 1 . 2]"
1 48 ILE 0.233 0.039 10 0 "[ . 1 . 2]"
1 49 LYS 2.968 0.109 3 0 "[ . 1 . 2]"
1 50 ASN 0.186 0.078 2 0 "[ . 1 . 2]"
1 51 GLY 0.951 0.093 3 0 "[ . 1 . 2]"
1 52 SER 3.016 0.223 3 0 "[ . 1 . 2]"
1 53 GLN 0.082 0.041 4 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.539 0.046 1 0 "[ . 1 . 2]"
1 56 TRP 3.830 0.139 6 0 "[ . 1 . 2]"
1 57 GLY 1.092 0.067 10 0 "[ . 1 . 2]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 MET 3.157 0.223 3 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 0.590 0.071 14 0 "[ . 1 . 2]"
1 65 ALA 0.680 0.075 3 0 "[ . 1 . 2]"
1 66 VAL 1.366 0.075 3 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 1.218 0.113 11 0 "[ . 1 . 2]"
1 69 ASP 0.217 0.038 13 0 "[ . 1 . 2]"
1 70 GLU 1.896 0.083 10 0 "[ . 1 . 2]"
1 71 ALA 5.133 0.113 11 0 "[ . 1 . 2]"
1 72 GLN 2.634 0.086 19 0 "[ . 1 . 2]"
1 73 THR 2.184 0.067 18 0 "[ . 1 . 2]"
1 74 LEU 3.644 0.109 11 0 "[ . 1 . 2]"
1 75 ALA 0.371 0.038 1 0 "[ . 1 . 2]"
1 76 LYS 0.289 0.038 14 0 "[ . 1 . 2]"
1 77 TRP 1.549 0.103 13 0 "[ . 1 . 2]"
1 78 ILE 1.323 0.079 7 0 "[ . 1 . 2]"
1 79 LEU 0.062 0.057 2 0 "[ . 1 . 2]"
1 80 SER 0.057 0.057 2 0 "[ . 1 . 2]"
1 81 GLN 1.144 0.079 7 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 1 GLU QG 3.300 . 3.900 2.413 2.027 3.305 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU HA 1 2 ASP H 2.900 . 2.900 2.494 2.216 2.907 0.007 9 0 "[ . 1 . 2]" 1
3 1 1 GLU QB 1 2 ASP H 3.500 . 4.500 3.602 2.175 4.078 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLU QG 1 2 ASP H 5.000 . 6.000 4.018 2.986 4.562 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLU QG 1 5 VAL HB 5.000 . 6.000 3.984 1.905 5.064 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLU QG 1 5 VAL MG2 6.500 . 8.500 4.210 2.705 5.744 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLU QG 1 6 LEU QD 6.000 . 9.400 3.994 2.442 5.903 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASP H 1 2 ASP HA 2.900 . 2.900 2.885 2.791 2.945 0.045 15 0 "[ . 1 . 2]" 1
9 1 2 ASP HA 1 3 PRO QD 2.700 . 3.700 1.964 1.862 2.103 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP H 1 2 ASP QB 2.900 . 3.500 2.037 1.927 2.339 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASP QB 1 3 PRO QD 5.000 . 7.000 2.261 1.859 2.903 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASP QB 1 4 GLU H 5.000 . 6.000 2.427 2.151 2.884 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP QB 1 5 VAL HB 5.000 . 6.000 3.665 2.691 4.198 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP QB 1 5 VAL MG1 5.500 . 7.500 4.593 3.790 5.203 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP QB 1 5 VAL MG2 6.500 . 8.500 2.487 1.810 3.261 . 0 0 "[ . 1 . 2]" 1
16 1 2 ASP QB 1 5 VAL H 5.000 . 6.000 2.897 2.337 3.290 . 0 0 "[ . 1 . 2]" 1
17 1 2 ASP H 1 5 VAL HB 3.500 . 3.500 3.379 2.860 3.511 0.011 1 0 "[ . 1 . 2]" 1
18 1 2 ASP H 1 5 VAL MG1 5.500 . 6.500 4.151 3.651 4.524 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP H 1 5 VAL MG2 5.500 . 6.500 2.643 2.221 3.472 . 0 0 "[ . 1 . 2]" 1
20 1 3 PRO HA 1 4 GLU H 3.500 . 3.500 3.511 3.450 3.578 0.078 1 0 "[ . 1 . 2]" 1
21 1 3 PRO HA 1 5 VAL H 5.000 . 5.000 4.277 3.977 4.569 . 0 0 "[ . 1 . 2]" 1
22 1 3 PRO HA 1 6 LEU QB 3.300 . 4.300 3.603 2.860 3.951 . 0 0 "[ . 1 . 2]" 1
23 1 3 PRO HA 1 6 LEU QD 5.000 . 7.400 1.877 1.674 2.277 . 0 0 "[ . 1 . 2]" 1
24 1 3 PRO HA 1 6 LEU HG 2.700 . 2.700 2.461 2.148 2.727 0.027 17 0 "[ . 1 . 2]" 1
25 1 3 PRO HA 1 6 LEU H 3.500 . 3.500 3.514 3.319 3.578 0.078 8 0 "[ . 1 . 2]" 1
26 1 3 PRO HA 1 7 ALA H 5.000 . 5.000 4.150 3.799 4.713 . 0 0 "[ . 1 . 2]" 1
27 1 3 PRO HA 1 73 THR MG 5.500 . 6.500 2.827 2.035 3.603 . 0 0 "[ . 1 . 2]" 1
28 1 3 PRO QB 1 4 GLU HA 5.000 . 6.000 3.929 3.798 4.026 . 0 0 "[ . 1 . 2]" 1
29 1 3 PRO QB 1 4 GLU H 3.500 . 4.500 3.042 2.537 3.310 . 0 0 "[ . 1 . 2]" 1
30 1 3 PRO QB 1 6 LEU QD 5.000 . 8.400 2.864 2.446 3.547 . 0 0 "[ . 1 . 2]" 1
31 1 3 PRO QB 1 7 ALA H 5.000 . 6.000 4.766 4.573 4.945 . 0 0 "[ . 1 . 2]" 1
32 1 3 PRO QB 1 73 THR HA 5.000 . 6.000 4.319 3.855 4.778 . 0 0 "[ . 1 . 2]" 1
33 1 3 PRO QB 1 73 THR MG 5.500 . 7.500 2.041 1.765 2.465 . 0 0 "[ . 1 . 2]" 1
34 1 3 PRO QB 1 74 LEU HA 5.000 . 6.000 3.956 3.717 4.218 . 0 0 "[ . 1 . 2]" 1
35 1 3 PRO QB 1 74 LEU QD 6.000 . 9.400 3.934 3.645 4.230 . 0 0 "[ . 1 . 2]" 1
36 1 3 PRO QB 1 74 LEU H 5.000 . 6.000 5.111 4.876 5.346 . 0 0 "[ . 1 . 2]" 1
37 1 3 PRO QB 1 77 TRP HB3 3.300 . 4.300 3.531 3.262 3.817 . 0 0 "[ . 1 . 2]" 1
38 1 3 PRO QB 1 77 TRP HB2 5.000 . 6.000 2.184 1.851 2.664 . 0 0 "[ . 1 . 2]" 1
39 1 3 PRO QB 1 77 TRP HD1 5.000 . 6.000 2.290 1.942 2.762 . 0 0 "[ . 1 . 2]" 1
40 1 3 PRO QB 1 77 TRP HE1 5.000 . 6.000 3.800 3.500 4.155 . 0 0 "[ . 1 . 2]" 1
41 1 3 PRO QB 1 77 TRP H 5.000 . 6.000 4.251 3.608 4.904 . 0 0 "[ . 1 . 2]" 1
42 1 3 PRO QD 1 4 GLU H 3.500 . 4.500 2.735 2.637 2.813 . 0 0 "[ . 1 . 2]" 1
43 1 3 PRO QG 1 4 GLU H 3.500 . 4.500 3.342 2.922 3.622 . 0 0 "[ . 1 . 2]" 1
44 1 3 PRO QG 1 77 TRP HB2 5.000 . 6.000 3.409 3.079 3.709 . 0 0 "[ . 1 . 2]" 1
45 1 3 PRO QG 1 77 TRP HD1 5.000 . 6.000 2.615 2.238 2.869 . 0 0 "[ . 1 . 2]" 1
46 1 4 GLU HA 1 4 GLU QG 3.300 . 3.900 2.573 2.006 3.379 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLU HA 1 5 VAL H 5.000 . 5.000 3.550 3.500 3.584 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU HA 1 7 ALA MB 5.500 . 6.500 2.201 1.940 2.543 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU HA 1 7 ALA H 3.500 . 3.500 3.405 3.112 3.534 0.034 6 0 "[ . 1 . 2]" 1
50 1 4 GLU HA 1 77 TRP HE1 5.000 . 5.000 2.918 2.195 3.746 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLU HA 1 77 TRP HH2 5.000 . 5.000 4.953 4.581 5.050 0.050 2 0 "[ . 1 . 2]" 1
52 1 4 GLU HA 1 77 TRP HZ2 5.000 . 5.000 3.322 3.072 3.667 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLU QB 1 5 VAL H 5.500 . 6.500 2.777 2.299 3.493 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLU QB 1 77 TRP HE1 5.500 . 6.500 2.903 2.159 4.015 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLU QG 1 7 ALA MB 6.500 . 8.500 3.661 2.796 4.734 . 0 0 "[ . 1 . 2]" 1
56 1 4 GLU QG 1 77 TRP HE1 5.000 . 6.000 3.356 1.880 5.080 . 0 0 "[ . 1 . 2]" 1
57 1 4 GLU H 1 5 VAL H 2.900 . 2.900 2.613 2.433 2.911 0.011 11 0 "[ . 1 . 2]" 1
58 1 4 GLU H 1 77 TRP HE1 5.000 . 5.000 3.926 3.353 4.525 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL H 1 5 VAL HA 2.900 . 2.900 2.855 2.791 2.900 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL HA 1 6 LEU H 3.500 . 3.500 3.570 3.531 3.585 0.085 13 0 "[ . 1 . 2]" 1
61 1 5 VAL HA 1 8 LYS QB 3.300 . 4.300 3.188 2.577 3.674 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL HA 1 8 LYS QD 6.500 . 7.500 4.649 3.505 5.901 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL HA 1 8 LYS H 5.000 . 5.000 3.671 3.430 3.893 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL H 1 5 VAL HB 2.900 . 2.900 2.320 2.129 2.545 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL HB 1 6 LEU QD 5.000 . 7.400 3.901 2.827 4.627 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL HB 1 6 LEU H 3.500 . 3.500 2.375 2.143 2.671 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL H 1 5 VAL MG1 4.000 . 4.600 3.682 3.621 3.710 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL MG1 1 6 LEU HG 6.500 . 7.500 4.527 3.603 5.433 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL MG1 1 6 LEU H 5.500 . 6.500 3.087 2.664 3.486 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL H 1 5 VAL MG2 4.000 . 4.600 2.213 1.834 2.591 . 0 0 "[ . 1 . 2]" 1
71 1 5 VAL MG2 1 6 LEU HA 6.500 . 7.500 5.441 5.385 5.490 . 0 0 "[ . 1 . 2]" 1
72 1 5 VAL MG2 1 6 LEU H 5.500 . 6.500 3.814 3.669 3.947 . 0 0 "[ . 1 . 2]" 1
73 1 5 VAL MG2 1 9 ASN HD22 5.500 . 6.500 4.615 3.835 5.263 . 0 0 "[ . 1 . 2]" 1
74 1 5 VAL H 1 6 LEU H 2.900 . 2.900 2.775 2.623 2.866 . 0 0 "[ . 1 . 2]" 1
75 1 5 VAL H 1 7 ALA H 5.000 . 5.000 3.857 3.539 4.393 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU HA 1 6 LEU QD 3.300 . 5.300 2.948 1.831 3.381 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU H 1 6 LEU HA 2.900 . 2.900 2.880 2.828 2.909 0.009 16 0 "[ . 1 . 2]" 1
78 1 6 LEU HA 1 7 ALA H 3.500 . 3.500 3.501 3.448 3.561 0.061 11 0 "[ . 1 . 2]" 1
79 1 6 LEU HA 1 9 ASN QB 3.300 . 4.300 2.737 2.342 3.300 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU HA 1 9 ASN HD22 5.000 . 5.000 4.216 3.225 5.015 0.015 17 0 "[ . 1 . 2]" 1
81 1 6 LEU HA 1 9 ASN H 3.500 . 3.500 3.341 3.165 3.542 0.042 11 0 "[ . 1 . 2]" 1
82 1 6 LEU HA 1 10 LYS QG 5.000 . 6.000 3.825 2.908 5.395 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU HA 1 10 LYS H 5.000 . 5.000 4.147 3.757 4.457 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU H 1 6 LEU QB 2.900 . 3.500 2.380 2.177 2.667 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU QB 1 7 ALA H 2.900 . 3.900 3.262 2.208 3.613 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU QB 1 10 LYS QE 3.300 . 5.300 3.561 2.194 4.095 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU QB 1 74 LEU QD 3.300 . 6.700 3.476 1.885 4.304 . 0 0 "[ . 1 . 2]" 1
88 1 6 LEU QD 1 10 LYS HB2 5.000 . 7.400 4.179 3.340 5.397 . 0 0 "[ . 1 . 2]" 1
89 1 6 LEU QD 1 10 LYS QE 5.000 . 8.400 3.339 2.476 4.849 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU QD 1 10 LYS QG 6.000 . 9.400 3.188 2.210 5.253 . 0 0 "[ . 1 . 2]" 1
91 1 6 LEU QD 1 70 GLU QB 6.000 . 9.400 3.626 2.859 4.321 . 0 0 "[ . 1 . 2]" 1
92 1 6 LEU QD 1 70 GLU QG 6.000 . 9.400 3.420 1.995 4.606 . 0 0 "[ . 1 . 2]" 1
93 1 6 LEU QD 1 73 THR HB 5.000 . 7.400 2.612 2.001 3.205 . 0 0 "[ . 1 . 2]" 1
94 1 6 LEU QD 1 73 THR MG 5.500 . 8.900 2.278 1.710 3.004 . 0 0 "[ . 1 . 2]" 1
95 1 6 LEU QD 1 74 LEU HB3 5.000 . 7.400 4.658 4.062 5.192 . 0 0 "[ . 1 . 2]" 1
96 1 6 LEU QD 1 74 LEU QD 6.000 . 10.800 2.085 1.690 2.869 . 0 0 "[ . 1 . 2]" 1
97 1 6 LEU QD 1 74 LEU HG 5.000 . 7.400 2.578 1.849 2.938 . 0 0 "[ . 1 . 2]" 1
98 1 6 LEU H 1 7 ALA MB 5.500 . 6.500 4.099 3.942 4.302 . 0 0 "[ . 1 . 2]" 1
99 1 6 LEU H 1 7 ALA H 2.900 . 2.900 2.579 2.449 2.840 . 0 0 "[ . 1 . 2]" 1
100 1 7 ALA H 1 7 ALA HA 2.900 . 2.900 2.865 2.800 2.912 0.012 8 0 "[ . 1 . 2]" 1
101 1 7 ALA HA 1 10 LYS HB2 5.000 . 5.000 3.186 2.683 3.597 . 0 0 "[ . 1 . 2]" 1
102 1 7 ALA HA 1 10 LYS QG 5.000 . 6.000 4.000 3.128 5.400 . 0 0 "[ . 1 . 2]" 1
103 1 7 ALA HA 1 10 LYS H 5.000 . 5.000 3.814 3.570 4.030 . 0 0 "[ . 1 . 2]" 1
104 1 7 ALA HA 1 12 CYS HB2 3.300 . 3.300 2.660 1.854 3.177 . 0 0 "[ . 1 . 2]" 1
105 1 7 ALA HA 1 13 MET H 5.000 . 5.000 4.528 3.903 4.982 . 0 0 "[ . 1 . 2]" 1
106 1 7 ALA HA 1 74 LEU QD 3.300 . 5.700 2.523 2.163 3.007 . 0 0 "[ . 1 . 2]" 1
107 1 7 ALA H 1 7 ALA MB 3.400 . 4.000 2.050 1.908 2.148 . 0 0 "[ . 1 . 2]" 1
108 1 7 ALA MB 1 8 LYS H 5.500 . 6.500 2.622 2.301 2.929 . 0 0 "[ . 1 . 2]" 1
109 1 7 ALA MB 1 12 CYS HB3 6.500 . 7.500 3.552 3.131 3.890 . 0 0 "[ . 1 . 2]" 1
110 1 7 ALA MB 1 12 CYS HB2 5.500 . 6.500 2.449 2.157 2.830 . 0 0 "[ . 1 . 2]" 1
111 1 7 ALA MB 1 13 MET ME 7.000 . 9.000 4.141 3.350 5.073 . 0 0 "[ . 1 . 2]" 1
112 1 7 ALA MB 1 13 MET QG 6.500 . 8.500 2.202 1.733 2.800 . 0 0 "[ . 1 . 2]" 1
113 1 7 ALA MB 1 13 MET H 5.500 . 6.500 3.557 3.079 3.973 . 0 0 "[ . 1 . 2]" 1
114 1 7 ALA MB 1 27 TYR QD 5.500 . 8.900 5.646 4.999 6.007 . 0 0 "[ . 1 . 2]" 1
115 1 7 ALA MB 1 74 LEU QD 5.500 . 8.900 2.776 2.307 3.412 . 0 0 "[ . 1 . 2]" 1
116 1 7 ALA MB 1 77 TRP HH2 5.500 . 6.500 2.757 2.152 3.109 . 0 0 "[ . 1 . 2]" 1
117 1 7 ALA MB 1 77 TRP HZ3 5.500 . 6.500 3.171 2.674 3.574 . 0 0 "[ . 1 . 2]" 1
118 1 7 ALA H 1 8 LYS H 2.900 . 2.900 2.666 2.463 2.889 . 0 0 "[ . 1 . 2]" 1
119 1 7 ALA H 1 9 ASN H 5.000 . 5.000 4.203 3.836 4.799 . 0 0 "[ . 1 . 2]" 1
120 1 7 ALA H 1 74 LEU QD 5.000 . 7.400 3.694 2.760 4.179 . 0 0 "[ . 1 . 2]" 1
121 1 8 LYS HA 1 11 GLY H 3.500 . 3.500 3.328 3.066 3.510 0.010 2 0 "[ . 1 . 2]" 1
122 1 8 LYS HA 1 13 MET HB3 5.000 . 5.000 4.380 3.853 4.912 . 0 0 "[ . 1 . 2]" 1
123 1 8 LYS HA 1 13 MET HB2 5.000 . 5.000 2.757 2.189 3.455 . 0 0 "[ . 1 . 2]" 1
124 1 8 LYS HA 1 13 MET QG 3.300 . 4.300 3.224 2.372 3.855 . 0 0 "[ . 1 . 2]" 1
125 1 8 LYS HA 1 13 MET H 3.500 . 3.500 3.085 2.618 3.544 0.044 1 0 "[ . 1 . 2]" 1
126 1 8 LYS H 1 8 LYS QB 3.500 . 4.100 2.050 1.924 2.220 . 0 0 "[ . 1 . 2]" 1
127 1 8 LYS QB 1 9 ASN H 3.500 . 4.500 2.558 2.252 2.844 . 0 0 "[ . 1 . 2]" 1
128 1 8 LYS QG 1 13 MET QG 5.000 . 7.000 3.265 2.137 4.443 . 0 0 "[ . 1 . 2]" 1
129 1 8 LYS H 1 9 ASN H 2.900 . 2.900 2.533 2.311 2.818 . 0 0 "[ . 1 . 2]" 1
130 1 8 LYS H 1 10 LYS H 5.000 . 5.000 3.926 3.593 4.357 . 0 0 "[ . 1 . 2]" 1
131 1 9 ASN H 1 9 ASN QB 2.900 . 3.500 2.570 2.534 2.593 . 0 0 "[ . 1 . 2]" 1
132 1 9 ASN QB 1 10 LYS H 5.000 . 6.000 2.804 2.542 3.131 . 0 0 "[ . 1 . 2]" 1
133 1 9 ASN H 1 9 ASN HD22 2.900 . 2.900 2.946 2.916 2.967 0.067 8 0 "[ . 1 . 2]" 1
134 1 9 ASN H 1 10 LYS H 2.900 . 2.900 2.684 2.599 2.772 . 0 0 "[ . 1 . 2]" 1
135 1 10 LYS HB3 1 66 VAL MG1 6.500 . 7.500 2.720 2.444 3.073 . 0 0 "[ . 1 . 2]" 1
136 1 10 LYS H 1 10 LYS HB2 3.500 . 3.500 2.314 2.073 2.521 . 0 0 "[ . 1 . 2]" 1
137 1 10 LYS HB2 1 74 LEU QD 6.000 . 8.400 3.264 3.012 3.541 . 0 0 "[ . 1 . 2]" 1
138 1 10 LYS HA 1 10 LYS QD 3.300 . 3.900 2.293 1.824 3.532 . 0 0 "[ . 1 . 2]" 1
139 1 10 LYS HB3 1 10 LYS QD 3.300 . 3.900 2.474 1.963 3.417 . 0 0 "[ . 1 . 2]" 1
140 1 10 LYS H 1 10 LYS QD 3.500 . 4.100 3.400 2.324 3.754 . 0 0 "[ . 1 . 2]" 1
141 1 10 LYS QD 1 66 VAL HA 3.300 . 4.300 3.519 2.990 3.895 . 0 0 "[ . 1 . 2]" 1
142 1 10 LYS QD 1 66 VAL MG1 5.500 . 7.500 2.195 1.747 3.283 . 0 0 "[ . 1 . 2]" 1
143 1 10 LYS QE 1 10 LYS QG 3.300 . 4.500 2.116 2.019 2.231 . 0 0 "[ . 1 . 2]" 1
144 1 10 LYS QE 1 66 VAL HA 3.300 . 4.300 2.821 1.847 3.913 . 0 0 "[ . 1 . 2]" 1
145 1 10 LYS QE 1 66 VAL MG1 5.500 . 7.500 2.506 1.791 3.489 . 0 0 "[ . 1 . 2]" 1
146 1 10 LYS QE 1 70 GLU QB 5.000 . 7.000 3.159 2.274 4.370 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS H 1 10 LYS QG 3.500 . 4.100 2.508 1.958 3.518 . 0 0 "[ . 1 . 2]" 1
148 1 10 LYS QG 1 66 VAL MG1 6.500 . 8.500 2.345 1.760 3.139 . 0 0 "[ . 1 . 2]" 1
149 1 10 LYS QG 1 74 LEU QD 5.000 . 8.400 2.893 2.275 3.696 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS H 1 11 GLY H 2.900 . 2.900 2.299 2.120 2.474 . 0 0 "[ . 1 . 2]" 1
151 1 10 LYS H 1 12 CYS H 3.500 . 3.500 3.541 3.484 3.589 0.089 2 0 "[ . 1 . 2]" 1
152 1 11 GLY QA 1 12 CYS H 2.900 . 3.900 2.918 2.892 2.933 . 0 0 "[ . 1 . 2]" 1
153 1 11 GLY H 1 12 CYS H 2.900 . 2.900 2.261 2.075 2.413 . 0 0 "[ . 1 . 2]" 1
154 1 12 CYS HA 1 13 MET H 5.000 . 5.000 3.541 3.446 3.581 . 0 0 "[ . 1 . 2]" 1
155 1 12 CYS HA 1 14 ALA H 5.000 . 5.000 3.655 3.584 3.774 . 0 0 "[ . 1 . 2]" 1
156 1 12 CYS HA 1 15 CYS HB2 5.000 . 5.000 4.608 4.154 5.032 0.032 16 0 "[ . 1 . 2]" 1
157 1 12 CYS HA 1 15 CYS H 5.000 . 5.000 4.158 3.990 4.413 . 0 0 "[ . 1 . 2]" 1
158 1 12 CYS HA 1 16 HIS HD2 5.000 . 5.000 3.574 3.269 3.812 . 0 0 "[ . 1 . 2]" 1
159 1 12 CYS H 1 12 CYS HB3 3.500 . 3.500 3.536 3.521 3.547 0.047 12 0 "[ . 1 . 2]" 1
160 1 12 CYS HB3 1 13 MET H 5.000 . 5.000 3.851 3.642 4.157 . 0 0 "[ . 1 . 2]" 1
161 1 12 CYS HB3 1 16 HIS HD2 5.000 . 5.000 3.968 3.529 4.418 . 0 0 "[ . 1 . 2]" 1
162 1 12 CYS H 1 12 CYS HB2 3.500 . 3.500 2.584 2.486 2.639 . 0 0 "[ . 1 . 2]" 1
163 1 12 CYS HB2 1 13 MET H 3.500 . 3.500 2.631 2.309 3.109 . 0 0 "[ . 1 . 2]" 1
164 1 12 CYS HB2 1 74 LEU QD 6.000 . 8.400 3.517 3.269 3.734 . 0 0 "[ . 1 . 2]" 1
165 1 12 CYS H 1 13 MET H 2.900 . 2.900 2.663 2.609 2.722 . 0 0 "[ . 1 . 2]" 1
166 1 13 MET HA 1 14 ALA H 5.000 . 5.000 3.271 3.181 3.318 . 0 0 "[ . 1 . 2]" 1
167 1 13 MET HA 1 15 CYS H 5.000 . 5.000 4.378 4.077 4.653 . 0 0 "[ . 1 . 2]" 1
168 1 13 MET HA 1 16 HIS H 3.500 . 3.500 3.433 3.294 3.554 0.054 17 0 "[ . 1 . 2]" 1
169 1 13 MET HA 1 77 TRP HH2 3.300 . 3.300 3.281 3.132 3.345 0.045 17 0 "[ . 1 . 2]" 1
170 1 13 MET H 1 13 MET HB3 3.500 . 3.500 3.493 3.433 3.554 0.054 7 0 "[ . 1 . 2]" 1
171 1 13 MET H 1 13 MET HB2 3.500 . 3.500 2.230 2.066 2.569 . 0 0 "[ . 1 . 2]" 1
172 1 13 MET HB2 1 14 ALA H 5.000 . 5.000 3.623 3.517 3.761 . 0 0 "[ . 1 . 2]" 1
173 1 13 MET HA 1 13 MET ME 5.500 . 6.100 2.657 1.924 3.188 . 0 0 "[ . 1 . 2]" 1
174 1 13 MET ME 1 16 HIS HB2 5.500 . 6.500 4.719 3.842 5.401 . 0 0 "[ . 1 . 2]" 1
175 1 13 MET ME 1 17 ALA HA 3.800 . 4.800 3.485 2.478 3.992 . 0 0 "[ . 1 . 2]" 1
176 1 13 MET ME 1 18 ILE MD 7.000 . 9.000 2.436 1.762 3.618 . 0 0 "[ . 1 . 2]" 1
177 1 13 MET ME 1 18 ILE QG 6.500 . 8.500 2.871 1.984 3.660 . 0 0 "[ . 1 . 2]" 1
178 1 13 MET ME 1 18 ILE H 5.500 . 6.500 3.665 2.873 4.696 . 0 0 "[ . 1 . 2]" 1
179 1 13 MET ME 1 27 TYR QD 5.500 . 8.900 3.565 2.655 4.701 . 0 0 "[ . 1 . 2]" 1
180 1 13 MET ME 1 77 TRP HZ2 5.500 . 6.500 2.943 2.083 4.197 . 0 0 "[ . 1 . 2]" 1
181 1 13 MET HA 1 13 MET QG 3.300 . 3.900 2.282 2.017 2.680 . 0 0 "[ . 1 . 2]" 1
182 1 13 MET H 1 13 MET QG 3.500 . 4.100 2.579 1.950 2.920 . 0 0 "[ . 1 . 2]" 1
183 1 13 MET H 1 14 ALA H 2.900 . 2.900 2.651 2.493 2.758 . 0 0 "[ . 1 . 2]" 1
184 1 13 MET H 1 15 CYS H 5.000 . 5.000 4.799 4.549 5.023 0.023 11 0 "[ . 1 . 2]" 1
185 1 13 MET H 1 16 HIS H 5.000 . 5.000 5.035 4.946 5.086 0.086 7 0 "[ . 1 . 2]" 1
186 1 14 ALA H 1 14 ALA HA 2.900 . 2.900 2.938 2.909 2.973 0.073 17 0 "[ . 1 . 2]" 1
187 1 14 ALA HA 1 15 CYS H 3.500 . 3.500 3.554 3.507 3.576 0.076 11 0 "[ . 1 . 2]" 1
188 1 14 ALA HA 1 16 HIS H 5.000 . 5.000 4.586 4.483 4.774 . 0 0 "[ . 1 . 2]" 1
189 1 14 ALA HA 1 22 MET ME 6.500 . 7.500 3.899 3.194 4.836 . 0 0 "[ . 1 . 2]" 1
190 1 14 ALA MB 1 15 CYS H 5.500 . 6.500 2.483 2.223 2.855 . 0 0 "[ . 1 . 2]" 1
191 1 14 ALA H 1 15 CYS H 2.900 . 2.900 2.428 2.149 2.627 . 0 0 "[ . 1 . 2]" 1
192 1 14 ALA H 1 16 HIS H 3.500 . 3.500 3.452 3.305 3.527 0.027 18 0 "[ . 1 . 2]" 1
193 1 15 CYS HA 1 16 HIS H 3.500 . 3.500 3.484 3.455 3.517 0.017 5 0 "[ . 1 . 2]" 1
194 1 15 CYS HA 1 22 MET HB3 5.000 . 5.000 3.590 3.081 4.161 . 0 0 "[ . 1 . 2]" 1
195 1 15 CYS HA 1 23 VAL HB 2.700 . 2.700 2.436 2.083 2.684 . 0 0 "[ . 1 . 2]" 1
196 1 15 CYS HA 1 23 VAL MG1 6.500 . 7.500 3.743 3.350 4.037 . 0 0 "[ . 1 . 2]" 1
197 1 15 CYS HA 1 23 VAL H 3.500 . 3.500 3.155 2.900 3.361 . 0 0 "[ . 1 . 2]" 1
198 1 15 CYS HA 1 24 GLY H 6.000 . 6.000 4.135 3.905 4.275 . 0 0 "[ . 1 . 2]" 1
199 1 15 CYS H 1 15 CYS HB3 3.500 . 3.500 3.561 3.509 3.601 0.101 20 0 "[ . 1 . 2]" 1
200 1 15 CYS HB3 1 16 HIS H 5.000 . 5.000 3.880 3.636 4.070 . 0 0 "[ . 1 . 2]" 1
201 1 15 CYS HB3 1 23 VAL MG1 6.500 . 7.500 2.510 2.083 3.051 . 0 0 "[ . 1 . 2]" 1
202 1 15 CYS HB3 1 23 VAL MG2 6.500 . 7.500 3.347 3.189 3.708 . 0 0 "[ . 1 . 2]" 1
203 1 15 CYS HB3 1 24 GLY H 3.500 . 3.500 3.411 3.051 3.532 0.032 20 0 "[ . 1 . 2]" 1
204 1 15 CYS H 1 15 CYS HB2 3.500 . 3.500 2.284 2.190 2.390 . 0 0 "[ . 1 . 2]" 1
205 1 15 CYS HB2 1 16 HIS H 5.000 . 5.000 3.015 2.760 3.188 . 0 0 "[ . 1 . 2]" 1
206 1 15 CYS HB2 1 23 VAL HB 5.000 . 5.000 3.593 3.445 3.950 . 0 0 "[ . 1 . 2]" 1
207 1 15 CYS HB2 1 24 GLY H 5.000 . 5.000 4.712 4.211 5.015 0.015 19 0 "[ . 1 . 2]" 1
208 1 15 CYS H 1 16 HIS H 2.900 . 2.900 2.156 2.032 2.312 . 0 0 "[ . 1 . 2]" 1
209 1 16 HIS HA 1 16 HIS HD1 5.000 . 5.000 2.303 2.079 2.648 . 0 0 "[ . 1 . 2]" 1
210 1 16 HIS HA 1 17 ALA MB 6.500 . 7.500 3.671 3.604 3.746 . 0 0 "[ . 1 . 2]" 1
211 1 16 HIS HA 1 17 ALA H 2.900 . 2.900 2.405 2.297 2.565 . 0 0 "[ . 1 . 2]" 1
212 1 16 HIS HA 1 22 MET HB3 5.000 . 5.000 4.952 4.632 5.045 0.045 7 0 "[ . 1 . 2]" 1
213 1 16 HIS HA 1 22 MET HB2 5.000 . 5.000 3.611 3.241 3.873 . 0 0 "[ . 1 . 2]" 1
214 1 16 HIS HA 1 22 MET QG 6.500 . 7.500 5.098 4.064 5.831 . 0 0 "[ . 1 . 2]" 1
215 1 16 HIS HA 1 23 VAL H 5.000 . 5.000 4.266 3.764 4.767 . 0 0 "[ . 1 . 2]" 1
216 1 16 HIS HA 1 24 GLY H 5.000 . 5.000 3.248 3.084 3.448 . 0 0 "[ . 1 . 2]" 1
217 1 16 HIS HB3 1 16 HIS HD1 3.300 . 3.300 2.903 2.744 3.010 . 0 0 "[ . 1 . 2]" 1
218 1 16 HIS H 1 16 HIS HB3 3.500 . 3.500 3.469 3.426 3.512 0.012 17 0 "[ . 1 . 2]" 1
219 1 16 HIS HB3 1 17 ALA H 3.500 . 3.500 2.520 2.056 2.894 . 0 0 "[ . 1 . 2]" 1
220 1 16 HIS HB3 1 27 TYR QD 5.000 . 7.400 3.332 3.023 3.557 . 0 0 "[ . 1 . 2]" 1
221 1 16 HIS H 1 16 HIS HB2 2.900 . 2.900 2.148 2.090 2.218 . 0 0 "[ . 1 . 2]" 1
222 1 16 HIS HB2 1 27 TYR QD 3.300 . 5.700 4.456 3.993 4.821 . 0 0 "[ . 1 . 2]" 1
223 1 16 HIS HD1 1 24 GLY HA3 5.000 . 5.000 3.311 2.840 3.514 . 0 0 "[ . 1 . 2]" 1
224 1 16 HIS HD1 1 24 GLY HA2 5.000 . 5.000 4.781 4.344 4.975 . 0 0 "[ . 1 . 2]" 1
225 1 16 HIS HD1 1 25 PRO HA 5.000 . 5.000 4.859 4.706 5.032 0.032 20 0 "[ . 1 . 2]" 1
226 1 16 HIS HD1 1 25 PRO QD 5.000 . 6.000 3.649 3.459 3.903 . 0 0 "[ . 1 . 2]" 1
227 1 16 HIS HD1 1 25 PRO QG 5.000 . 6.000 4.879 4.748 5.077 . 0 0 "[ . 1 . 2]" 1
228 1 16 HIS HD1 1 26 ALA HA 5.000 . 5.000 3.783 3.385 4.072 . 0 0 "[ . 1 . 2]" 1
229 1 16 HIS HE1 1 24 GLY HA3 5.000 . 5.000 2.736 2.166 3.182 . 0 0 "[ . 1 . 2]" 1
230 1 16 HIS HE1 1 24 GLY HA2 5.000 . 5.000 4.038 3.608 4.375 . 0 0 "[ . 1 . 2]" 1
231 1 16 HIS HE1 1 25 PRO QB 5.000 . 6.000 4.154 3.727 4.467 . 0 0 "[ . 1 . 2]" 1
232 1 16 HIS HE1 1 25 PRO QD 3.300 . 4.300 1.927 1.816 2.194 . 0 0 "[ . 1 . 2]" 1
233 1 16 HIS HE1 1 25 PRO QG 5.000 . 6.000 3.368 3.074 3.590 . 0 0 "[ . 1 . 2]" 1
234 1 16 HIS H 1 24 GLY H 5.000 . 5.000 4.958 4.796 5.041 0.041 7 0 "[ . 1 . 2]" 1
235 1 17 ALA HA 1 18 ILE H 2.900 . 2.900 2.399 2.211 2.794 . 0 0 "[ . 1 . 2]" 1
236 1 17 ALA HA 1 20 THR H 6.000 . 6.000 4.618 3.799 5.302 . 0 0 "[ . 1 . 2]" 1
237 1 17 ALA HA 1 22 MET ME 3.800 . 4.800 3.329 2.660 3.874 . 0 0 "[ . 1 . 2]" 1
238 1 17 ALA MB 1 18 ILE HA 6.500 . 7.500 4.547 4.174 4.772 . 0 0 "[ . 1 . 2]" 1
239 1 17 ALA MB 1 18 ILE H 4.000 . 5.000 2.985 2.219 3.445 . 0 0 "[ . 1 . 2]" 1
240 1 17 ALA MB 1 19 ASP H 5.500 . 6.500 2.912 2.400 3.863 . 0 0 "[ . 1 . 2]" 1
241 1 17 ALA MB 1 20 THR HA 5.500 . 6.500 3.883 3.510 4.456 . 0 0 "[ . 1 . 2]" 1
242 1 17 ALA MB 1 20 THR HB 5.500 . 6.500 3.038 1.994 3.804 . 0 0 "[ . 1 . 2]" 1
243 1 17 ALA MB 1 20 THR H 4.000 . 5.000 2.324 1.808 2.876 . 0 0 "[ . 1 . 2]" 1
244 1 17 ALA MB 1 22 MET HB2 5.500 . 6.500 3.037 2.708 3.465 . 0 0 "[ . 1 . 2]" 1
245 1 17 ALA MB 1 22 MET ME 7.000 . 9.000 2.547 1.862 3.432 . 0 0 "[ . 1 . 2]" 1
246 1 17 ALA MB 1 26 ALA HA 6.500 . 7.500 3.048 2.683 3.276 . 0 0 "[ . 1 . 2]" 1
247 1 17 ALA H 1 22 MET HB2 5.000 . 5.000 4.450 3.914 4.998 . 0 0 "[ . 1 . 2]" 1
248 1 17 ALA H 1 22 MET H 5.000 . 5.000 4.590 3.777 5.012 0.012 11 0 "[ . 1 . 2]" 1
249 1 17 ALA H 1 26 ALA HA 3.500 . 3.500 2.681 2.214 3.295 . 0 0 "[ . 1 . 2]" 1
250 1 17 ALA H 1 27 TYR H 5.000 . 5.000 3.246 2.897 3.583 . 0 0 "[ . 1 . 2]" 1
251 1 18 ILE HA 1 18 ILE QG 3.300 . 3.900 2.550 2.140 3.054 . 0 0 "[ . 1 . 2]" 1
252 1 18 ILE HA 1 27 TYR HB3 3.300 . 3.300 3.383 3.339 3.420 0.120 8 0 "[ . 1 . 2]" 1
253 1 18 ILE HA 1 27 TYR HB2 3.300 . 3.300 1.889 1.831 1.981 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE HA 1 27 TYR QD 3.300 . 5.700 2.618 2.097 2.934 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE HA 1 27 TYR H 2.900 . 2.900 2.930 2.882 2.965 0.065 13 0 "[ . 1 . 2]" 1
256 1 18 ILE HA 1 28 LYS H 3.500 . 3.500 3.059 2.681 3.321 . 0 0 "[ . 1 . 2]" 1
257 1 18 ILE H 1 18 ILE HB 2.900 . 2.900 2.514 2.392 2.711 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE HB 1 19 ASP H 2.900 . 2.900 2.604 1.851 2.924 0.024 6 0 "[ . 1 . 2]" 1
259 1 18 ILE H 1 18 ILE MD 5.500 . 6.100 2.701 1.863 3.552 . 0 0 "[ . 1 . 2]" 1
260 1 18 ILE MD 1 27 TYR HB2 6.500 . 7.500 4.154 2.699 5.231 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE MD 1 27 TYR QD 5.500 . 8.900 3.320 1.907 4.423 . 0 0 "[ . 1 . 2]" 1
262 1 18 ILE MD 1 77 TRP HH2 5.500 . 6.500 4.728 3.511 5.328 . 0 0 "[ . 1 . 2]" 1
263 1 18 ILE MD 1 77 TRP HZ2 5.500 . 6.500 4.026 2.859 4.939 . 0 0 "[ . 1 . 2]" 1
264 1 18 ILE H 1 18 ILE QG 2.900 . 3.500 2.130 1.847 2.731 . 0 0 "[ . 1 . 2]" 1
265 1 18 ILE QG 1 27 TYR QD 5.000 . 8.400 3.018 2.186 4.116 . 0 0 "[ . 1 . 2]" 1
266 1 18 ILE QG 1 77 TRP HZ2 5.000 . 6.000 4.528 3.698 5.407 . 0 0 "[ . 1 . 2]" 1
267 1 18 ILE MG 1 19 ASP QB 6.500 . 8.500 2.962 2.539 3.818 . 0 0 "[ . 1 . 2]" 1
268 1 18 ILE MG 1 27 TYR HB2 6.500 . 7.500 3.556 3.333 3.823 . 0 0 "[ . 1 . 2]" 1
269 1 18 ILE MG 1 28 LYS QG 6.500 . 8.500 3.492 2.004 3.978 . 0 0 "[ . 1 . 2]" 1
270 1 18 ILE MG 1 28 LYS H 5.500 . 6.500 3.398 3.110 3.676 . 0 0 "[ . 1 . 2]" 1
271 1 18 ILE MG 1 81 GLN HA 6.500 . 7.500 3.783 2.958 4.602 . 0 0 "[ . 1 . 2]" 1
272 1 18 ILE MG 1 81 GLN QB 6.500 . 8.500 2.274 1.842 3.038 . 0 0 "[ . 1 . 2]" 1
273 1 18 ILE H 1 19 ASP H 2.900 . 2.900 2.877 2.297 3.019 0.119 15 0 "[ . 1 . 2]" 1
274 1 18 ILE H 1 27 TYR QD 5.000 . 7.400 3.590 3.028 4.282 . 0 0 "[ . 1 . 2]" 1
275 1 19 ASP HA 1 20 THR H 3.500 . 3.500 3.439 3.153 3.559 0.059 6 0 "[ . 1 . 2]" 1
276 1 19 ASP HA 1 26 ALA MB 5.500 . 6.500 2.094 1.827 2.445 . 0 0 "[ . 1 . 2]" 1
277 1 19 ASP HA 1 28 LYS QB 3.300 . 4.300 3.067 2.306 3.851 . 0 0 "[ . 1 . 2]" 1
278 1 19 ASP HA 1 28 LYS QD 6.500 . 7.500 4.525 2.659 5.541 . 0 0 "[ . 1 . 2]" 1
279 1 19 ASP HA 1 29 ASP H 3.500 . 3.500 3.554 3.508 3.593 0.093 4 0 "[ . 1 . 2]" 1
280 1 19 ASP H 1 19 ASP QB 3.500 . 4.100 2.799 2.301 3.247 . 0 0 "[ . 1 . 2]" 1
281 1 19 ASP QB 1 20 THR H 6.000 . 7.000 3.265 2.549 3.995 . 0 0 "[ . 1 . 2]" 1
282 1 19 ASP H 1 20 THR MG 5.500 . 6.500 3.930 2.959 4.606 . 0 0 "[ . 1 . 2]" 1
283 1 19 ASP H 1 20 THR H 2.900 . 2.900 1.897 1.783 2.104 0.017 11 0 "[ . 1 . 2]" 1
284 1 19 ASP H 1 26 ALA MB 5.500 . 6.500 3.384 2.960 3.839 . 0 0 "[ . 1 . 2]" 1
285 1 20 THR HA 1 21 LYS H 2.900 . 2.900 2.592 2.320 2.839 . 0 0 "[ . 1 . 2]" 1
286 1 20 THR HA 1 26 ALA MB 6.500 . 7.500 3.858 3.461 4.095 . 0 0 "[ . 1 . 2]" 1
287 1 20 THR HA 1 20 THR HB 2.700 . 2.700 2.643 2.444 2.900 0.200 18 0 "[ . 1 . 2]" 1
288 1 20 THR H 1 20 THR HB 3.500 . 3.500 3.446 3.047 3.556 0.056 20 0 "[ . 1 . 2]" 1
289 1 20 THR HB 1 21 LYS H 2.900 . 2.900 2.365 1.849 2.917 0.017 1 0 "[ . 1 . 2]" 1
290 1 20 THR MG 1 21 LYS H 5.500 . 6.500 3.359 2.285 3.966 . 0 0 "[ . 1 . 2]" 1
291 1 20 THR H 1 21 LYS H 5.000 . 5.000 4.563 4.329 4.681 . 0 0 "[ . 1 . 2]" 1
292 1 20 THR H 1 26 ALA HA 5.000 . 5.000 4.443 3.244 5.018 0.018 14 0 "[ . 1 . 2]" 1
293 1 20 THR H 1 26 ALA MB 5.500 . 6.500 3.201 2.279 3.684 . 0 0 "[ . 1 . 2]" 1
294 1 21 LYS H 1 21 LYS HA 2.900 . 2.900 2.979 2.956 2.991 0.091 12 0 "[ . 1 . 2]" 1
295 1 21 LYS HA 1 22 MET H 2.900 . 2.900 2.281 2.199 2.383 . 0 0 "[ . 1 . 2]" 1
296 1 21 LYS HA 1 26 ALA MB 6.500 . 7.500 3.555 2.812 3.929 . 0 0 "[ . 1 . 2]" 1
297 1 21 LYS HA 1 26 ALA H 3.500 . 3.500 3.316 2.726 3.524 0.024 14 0 "[ . 1 . 2]" 1
298 1 21 LYS H 1 21 LYS QB 2.900 . 3.500 2.415 2.130 3.080 . 0 0 "[ . 1 . 2]" 1
299 1 21 LYS QB 1 22 MET H 5.000 . 6.000 3.830 3.297 4.070 . 0 0 "[ . 1 . 2]" 1
300 1 21 LYS QB 1 25 PRO HA 5.000 . 6.000 4.753 2.947 5.330 . 0 0 "[ . 1 . 2]" 1
301 1 21 LYS QB 1 26 ALA HA 6.000 . 7.000 5.671 4.214 6.253 . 0 0 "[ . 1 . 2]" 1
302 1 21 LYS QD 1 25 PRO HA 6.500 . 7.500 4.373 3.081 5.593 . 0 0 "[ . 1 . 2]" 1
303 1 21 LYS QE 1 25 PRO HA 6.500 . 7.500 4.617 2.682 6.403 . 0 0 "[ . 1 . 2]" 1
304 1 21 LYS QG 1 22 MET H 5.500 . 6.500 3.701 2.500 4.812 . 0 0 "[ . 1 . 2]" 1
305 1 21 LYS QG 1 25 PRO HA 5.500 . 6.500 3.440 2.368 5.601 . 0 0 "[ . 1 . 2]" 1
306 1 21 LYS H 1 22 MET H 5.000 . 5.000 4.067 3.535 4.477 . 0 0 "[ . 1 . 2]" 1
307 1 21 LYS H 1 26 ALA MB 5.500 . 6.500 4.565 3.890 4.807 . 0 0 "[ . 1 . 2]" 1
308 1 22 MET HA 1 23 VAL H 3.500 . 3.500 3.397 3.182 3.508 0.008 7 0 "[ . 1 . 2]" 1
309 1 22 MET HB3 1 23 VAL MG2 5.500 . 6.500 2.801 2.178 3.422 . 0 0 "[ . 1 . 2]" 1
310 1 22 MET HB3 1 23 VAL H 2.900 . 2.900 1.934 1.824 2.061 . 0 0 "[ . 1 . 2]" 1
311 1 22 MET H 1 22 MET HB2 3.500 . 3.500 2.296 2.046 2.517 . 0 0 "[ . 1 . 2]" 1
312 1 22 MET HB2 1 23 VAL H 2.900 . 2.900 2.263 2.121 2.370 . 0 0 "[ . 1 . 2]" 1
313 1 22 MET HB2 1 24 GLY H 5.000 . 5.000 3.380 2.875 3.798 . 0 0 "[ . 1 . 2]" 1
314 1 22 MET HB3 1 22 MET ME 3.200 . 3.800 2.720 2.049 3.122 . 0 0 "[ . 1 . 2]" 1
315 1 22 MET QG 1 23 VAL H 5.500 . 6.500 3.848 3.756 3.904 . 0 0 "[ . 1 . 2]" 1
316 1 22 MET H 1 23 VAL H 5.000 . 5.000 3.480 2.973 3.964 . 0 0 "[ . 1 . 2]" 1
317 1 22 MET H 1 24 GLY H 5.000 . 5.000 3.684 3.303 4.182 . 0 0 "[ . 1 . 2]" 1
318 1 23 VAL H 1 23 VAL HA 2.900 . 2.900 2.938 2.887 2.981 0.081 14 0 "[ . 1 . 2]" 1
319 1 23 VAL HA 1 24 GLY H 3.500 . 3.500 3.528 3.487 3.561 0.061 11 0 "[ . 1 . 2]" 1
320 1 23 VAL HA 1 59 ILE MD 6.500 . 7.500 3.882 3.654 4.017 . 0 0 "[ . 1 . 2]" 1
321 1 23 VAL HA 1 59 ILE QG 6.000 . 7.000 6.157 5.864 6.295 . 0 0 "[ . 1 . 2]" 1
322 1 23 VAL H 1 23 VAL HB 3.500 . 3.500 2.344 2.210 2.550 . 0 0 "[ . 1 . 2]" 1
323 1 23 VAL HB 1 24 GLY H 2.900 . 2.900 2.651 2.383 2.875 . 0 0 "[ . 1 . 2]" 1
324 1 23 VAL MG1 1 24 GLY H 5.500 . 6.500 3.506 3.132 3.845 . 0 0 "[ . 1 . 2]" 1
325 1 23 VAL MG1 1 59 ILE MD 6.000 . 8.000 3.191 2.988 3.481 . 0 0 "[ . 1 . 2]" 1
326 1 23 VAL MG1 1 59 ILE MG 7.000 . 9.000 2.610 2.239 2.879 . 0 0 "[ . 1 . 2]" 1
327 1 23 VAL H 1 23 VAL MG2 4.000 . 4.600 2.328 1.860 2.648 . 0 0 "[ . 1 . 2]" 1
328 1 23 VAL MG2 1 24 GLY H 5.500 . 6.500 3.842 3.575 3.976 . 0 0 "[ . 1 . 2]" 1
329 1 23 VAL MG2 1 59 ILE MD 6.000 . 8.000 4.687 4.361 5.111 . 0 0 "[ . 1 . 2]" 1
330 1 23 VAL H 1 24 GLY H 2.900 . 2.900 2.324 2.028 2.628 . 0 0 "[ . 1 . 2]" 1
331 1 24 GLY H 1 24 GLY HA3 2.900 . 2.900 2.519 2.430 2.561 . 0 0 "[ . 1 . 2]" 1
332 1 24 GLY HA3 1 25 PRO QD 3.300 . 4.300 2.335 2.236 2.426 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLY HA2 1 25 PRO QD 3.300 . 4.300 2.039 1.974 2.132 . 0 0 "[ . 1 . 2]" 1
334 1 25 PRO HA 1 26 ALA H 2.900 . 2.900 2.256 2.233 2.296 . 0 0 "[ . 1 . 2]" 1
335 1 25 PRO QB 1 26 ALA H 5.000 . 6.000 3.256 3.158 3.385 . 0 0 "[ . 1 . 2]" 1
336 1 25 PRO QB 1 29 ASP HB3 6.000 . 7.000 3.826 3.429 4.198 . 0 0 "[ . 1 . 2]" 1
337 1 25 PRO QB 1 30 VAL MG2 5.500 . 7.500 2.120 1.820 2.630 . 0 0 "[ . 1 . 2]" 1
338 1 25 PRO QB 1 56 TRP HD1 5.000 . 6.000 4.949 4.567 5.270 . 0 0 "[ . 1 . 2]" 1
339 1 25 PRO QD 1 27 TYR QD 5.000 . 8.400 6.156 5.947 6.267 . 0 0 "[ . 1 . 2]" 1
340 1 25 PRO QD 1 30 VAL MG2 6.500 . 8.500 3.729 3.470 4.046 . 0 0 "[ . 1 . 2]" 1
341 1 25 PRO QD 1 56 TRP HB3 5.000 . 6.000 3.520 3.015 4.228 . 0 0 "[ . 1 . 2]" 1
342 1 25 PRO QD 1 56 TRP HB2 3.300 . 4.300 3.173 2.977 3.496 . 0 0 "[ . 1 . 2]" 1
343 1 25 PRO QD 1 56 TRP HD1 5.000 . 6.000 3.712 3.467 4.159 . 0 0 "[ . 1 . 2]" 1
344 1 25 PRO QG 1 30 VAL MG2 6.500 . 8.500 2.760 2.460 3.155 . 0 0 "[ . 1 . 2]" 1
345 1 25 PRO QG 1 56 TRP HB2 5.000 . 6.000 2.569 2.159 2.957 . 0 0 "[ . 1 . 2]" 1
346 1 25 PRO QG 1 56 TRP HD1 5.000 . 6.000 3.045 2.704 3.410 . 0 0 "[ . 1 . 2]" 1
347 1 26 ALA HA 1 27 TYR QD 5.000 . 7.400 4.861 4.685 4.972 . 0 0 "[ . 1 . 2]" 1
348 1 26 ALA HA 1 27 TYR H 2.900 . 2.900 2.357 2.288 2.506 . 0 0 "[ . 1 . 2]" 1
349 1 26 ALA HA 1 28 LYS H 5.000 . 5.000 4.723 4.392 4.867 . 0 0 "[ . 1 . 2]" 1
350 1 26 ALA MB 1 27 TYR H 5.500 . 6.500 2.832 2.594 2.987 . 0 0 "[ . 1 . 2]" 1
351 1 26 ALA MB 1 28 LYS QB 6.500 . 8.500 3.470 3.010 4.328 . 0 0 "[ . 1 . 2]" 1
352 1 26 ALA MB 1 28 LYS H 4.000 . 5.000 3.386 3.003 3.632 . 0 0 "[ . 1 . 2]" 1
353 1 26 ALA MB 1 29 ASP HB3 6.500 . 7.500 3.349 3.001 3.601 . 0 0 "[ . 1 . 2]" 1
354 1 26 ALA MB 1 29 ASP HB2 5.500 . 6.500 2.019 1.817 2.192 . 0 0 "[ . 1 . 2]" 1
355 1 26 ALA MB 1 29 ASP H 4.000 . 5.000 2.355 2.203 2.613 . 0 0 "[ . 1 . 2]" 1
356 1 26 ALA H 1 29 ASP HB2 5.000 . 5.000 3.387 3.139 3.761 . 0 0 "[ . 1 . 2]" 1
357 1 27 TYR HA 1 27 TYR QD 2.700 . 4.700 1.817 1.784 1.865 . 0 0 "[ . 1 . 2]" 1
358 1 27 TYR HA 1 30 VAL HB 3.300 . 3.300 2.866 2.620 3.101 . 0 0 "[ . 1 . 2]" 1
359 1 27 TYR HA 1 30 VAL MG2 5.500 . 6.500 2.323 1.906 2.789 . 0 0 "[ . 1 . 2]" 1
360 1 27 TYR HA 1 30 VAL H 3.500 . 3.500 3.442 3.346 3.546 0.046 2 0 "[ . 1 . 2]" 1
361 1 27 TYR HA 1 78 ILE QG 5.000 . 6.000 3.834 3.581 4.046 . 0 0 "[ . 1 . 2]" 1
362 1 27 TYR HA 1 78 ILE MG 5.500 . 6.500 2.333 1.887 2.933 . 0 0 "[ . 1 . 2]" 1
363 1 27 TYR HB3 1 27 TYR QD 3.300 . 5.300 2.773 2.756 2.787 . 0 0 "[ . 1 . 2]" 1
364 1 27 TYR HB3 1 78 ILE QG 3.300 . 4.300 3.847 3.667 3.947 . 0 0 "[ . 1 . 2]" 1
365 1 27 TYR HB3 1 78 ILE MG 6.500 . 7.500 2.549 2.108 3.150 . 0 0 "[ . 1 . 2]" 1
366 1 27 TYR HB3 1 81 GLN QB 5.000 . 6.000 2.743 2.008 3.401 . 0 0 "[ . 1 . 2]" 1
367 1 27 TYR HB3 1 81 GLN QG 6.000 . 7.000 2.121 1.717 4.209 . 0 0 "[ . 1 . 2]" 1
368 1 27 TYR HB2 1 27 TYR QD 3.300 . 5.300 2.345 2.330 2.366 . 0 0 "[ . 1 . 2]" 1
369 1 27 TYR H 1 27 TYR HB2 3.500 . 3.500 2.110 2.047 2.199 . 0 0 "[ . 1 . 2]" 1
370 1 27 TYR HB2 1 28 LYS H 5.000 . 5.000 2.416 2.226 2.573 . 0 0 "[ . 1 . 2]" 1
371 1 27 TYR H 1 27 TYR QD 3.500 . 5.500 3.341 3.157 3.527 . 0 0 "[ . 1 . 2]" 1
372 1 27 TYR QD 1 28 LYS H 5.000 . 7.400 4.342 4.209 4.461 . 0 0 "[ . 1 . 2]" 1
373 1 27 TYR QD 1 30 VAL HB 3.300 . 5.700 3.671 3.467 4.053 . 0 0 "[ . 1 . 2]" 1
374 1 27 TYR QD 1 30 VAL MG2 5.500 . 8.900 3.048 2.656 3.422 . 0 0 "[ . 1 . 2]" 1
375 1 27 TYR QD 1 30 VAL H 5.000 . 7.400 4.934 4.724 5.134 . 0 0 "[ . 1 . 2]" 1
376 1 27 TYR QD 1 77 TRP HH2 3.300 . 5.700 3.785 3.484 4.152 . 0 0 "[ . 1 . 2]" 1
377 1 27 TYR QD 1 77 TRP HZ2 5.000 . 7.400 4.504 4.194 4.767 . 0 0 "[ . 1 . 2]" 1
378 1 27 TYR QD 1 77 TRP HZ3 5.000 . 7.400 4.252 4.006 4.695 . 0 0 "[ . 1 . 2]" 1
379 1 27 TYR QD 1 78 ILE HA 5.000 . 7.400 3.374 2.977 3.673 . 0 0 "[ . 1 . 2]" 1
380 1 27 TYR QD 1 78 ILE HB 5.000 . 7.400 4.204 4.061 4.432 . 0 0 "[ . 1 . 2]" 1
381 1 27 TYR QD 1 78 ILE MD 5.500 . 8.900 3.556 2.814 3.896 . 0 0 "[ . 1 . 2]" 1
382 1 27 TYR QD 1 78 ILE QG 5.000 . 8.400 2.219 1.931 2.537 . 0 0 "[ . 1 . 2]" 1
383 1 27 TYR QD 1 78 ILE MG 5.500 . 8.900 1.859 1.705 2.298 . 0 0 "[ . 1 . 2]" 1
384 1 27 TYR QD 1 78 ILE H 5.000 . 7.400 5.248 5.007 5.429 . 0 0 "[ . 1 . 2]" 1
385 1 27 TYR QD 1 81 GLN QG 5.000 . 8.400 2.940 2.305 4.264 . 0 0 "[ . 1 . 2]" 1
386 1 27 TYR H 1 28 LYS H 3.500 . 3.500 2.825 2.554 2.999 . 0 0 "[ . 1 . 2]" 1
387 1 27 TYR H 1 29 ASP H 5.000 . 5.000 4.108 3.755 4.424 . 0 0 "[ . 1 . 2]" 1
388 1 28 LYS H 1 28 LYS HA 2.900 . 2.900 2.802 2.782 2.836 . 0 0 "[ . 1 . 2]" 1
389 1 28 LYS HA 1 29 ASP H 3.500 . 3.500 3.563 3.532 3.575 0.075 7 0 "[ . 1 . 2]" 1
390 1 28 LYS HA 1 31 ALA MB 3.800 . 4.800 2.909 2.653 3.086 . 0 0 "[ . 1 . 2]" 1
391 1 28 LYS HA 1 31 ALA H 3.500 . 3.500 3.484 3.385 3.550 0.050 3 0 "[ . 1 . 2]" 1
392 1 28 LYS HA 1 32 ALA H 5.000 . 5.000 4.534 4.405 4.662 . 0 0 "[ . 1 . 2]" 1
393 1 28 LYS HA 1 81 GLN QB 3.300 . 4.300 3.197 2.767 3.679 . 0 0 "[ . 1 . 2]" 1
394 1 28 LYS H 1 28 LYS QB 2.900 . 3.500 2.039 1.940 2.353 . 0 0 "[ . 1 . 2]" 1
395 1 28 LYS QB 1 29 ASP H 3.500 . 4.500 2.430 2.239 3.432 . 0 0 "[ . 1 . 2]" 1
396 1 28 LYS QB 1 30 VAL H 5.000 . 6.000 4.619 4.343 5.277 . 0 0 "[ . 1 . 2]" 1
397 1 28 LYS QE 1 82 LYS QG 6.500 . 8.500 4.341 1.896 6.228 . 0 0 "[ . 1 . 2]" 1
398 1 28 LYS H 1 28 LYS QG 3.500 . 4.100 3.428 2.124 3.774 . 0 0 "[ . 1 . 2]" 1
399 1 28 LYS QG 1 81 GLN QB 2.700 . 4.700 3.203 2.028 3.772 . 0 0 "[ . 1 . 2]" 1
400 1 28 LYS H 1 29 ASP H 2.900 . 2.900 2.879 2.789 2.928 0.028 17 0 "[ . 1 . 2]" 1
401 1 29 ASP HA 1 30 VAL H 5.000 . 5.000 3.568 3.519 3.588 . 0 0 "[ . 1 . 2]" 1
402 1 29 ASP HA 1 32 ALA MB 5.500 . 6.500 2.337 2.098 2.681 . 0 0 "[ . 1 . 2]" 1
403 1 29 ASP HA 1 32 ALA H 3.500 . 3.500 3.230 3.069 3.350 . 0 0 "[ . 1 . 2]" 1
404 1 29 ASP H 1 29 ASP HB3 3.500 . 3.500 3.484 3.448 3.516 0.016 14 0 "[ . 1 . 2]" 1
405 1 29 ASP HB3 1 56 TRP HH2 5.000 . 5.000 4.877 4.425 5.036 0.036 12 0 "[ . 1 . 2]" 1
406 1 29 ASP H 1 29 ASP HB2 2.900 . 2.900 2.166 2.088 2.281 . 0 0 "[ . 1 . 2]" 1
407 1 29 ASP HB2 1 30 VAL MG2 6.500 . 7.500 3.479 3.265 3.770 . 0 0 "[ . 1 . 2]" 1
408 1 29 ASP HB2 1 30 VAL H 3.500 . 3.500 2.662 2.492 2.915 . 0 0 "[ . 1 . 2]" 1
409 1 29 ASP H 1 30 VAL MG2 5.500 . 6.500 4.257 3.996 4.546 . 0 0 "[ . 1 . 2]" 1
410 1 29 ASP H 1 30 VAL H 2.900 . 2.900 2.807 2.726 2.913 0.013 2 0 "[ . 1 . 2]" 1
411 1 29 ASP H 1 31 ALA H 5.000 . 5.000 4.285 4.001 4.501 . 0 0 "[ . 1 . 2]" 1
412 1 30 VAL H 1 30 VAL HA 2.900 . 2.900 2.832 2.808 2.875 . 0 0 "[ . 1 . 2]" 1
413 1 30 VAL HA 1 31 ALA H 3.500 . 3.500 3.549 3.523 3.565 0.065 17 0 "[ . 1 . 2]" 1
414 1 30 VAL HA 1 33 LYS HB3 5.000 . 5.000 3.421 3.067 3.758 . 0 0 "[ . 1 . 2]" 1
415 1 30 VAL HA 1 33 LYS HB2 5.000 . 5.000 4.211 3.549 4.685 . 0 0 "[ . 1 . 2]" 1
416 1 30 VAL HA 1 33 LYS QD 6.500 . 7.500 5.367 4.301 6.472 . 0 0 "[ . 1 . 2]" 1
417 1 30 VAL HA 1 33 LYS H 5.000 . 5.000 3.712 3.577 3.910 . 0 0 "[ . 1 . 2]" 1
418 1 30 VAL HA 1 34 TYR QD 5.000 . 7.400 3.825 3.241 5.056 . 0 0 "[ . 1 . 2]" 1
419 1 30 VAL HA 1 34 TYR QE 5.000 . 7.400 4.740 4.210 5.793 . 0 0 "[ . 1 . 2]" 1
420 1 30 VAL HA 1 56 TRP HE1 5.000 . 5.000 4.918 4.633 5.044 0.044 1 0 "[ . 1 . 2]" 1
421 1 30 VAL HA 1 56 TRP HH2 3.300 . 3.300 2.035 1.897 2.219 . 0 0 "[ . 1 . 2]" 1
422 1 30 VAL HA 1 56 TRP HZ2 3.300 . 3.300 2.507 2.279 2.660 . 0 0 "[ . 1 . 2]" 1
423 1 30 VAL HA 1 56 TRP HZ3 5.000 . 5.000 3.887 3.755 4.100 . 0 0 "[ . 1 . 2]" 1
424 1 30 VAL H 1 30 VAL HB 2.900 . 2.900 2.379 2.236 2.452 . 0 0 "[ . 1 . 2]" 1
425 1 30 VAL HB 1 31 ALA MB 6.500 . 7.500 3.740 3.622 3.842 . 0 0 "[ . 1 . 2]" 1
426 1 30 VAL HB 1 31 ALA H 2.900 . 2.900 2.562 2.359 2.737 . 0 0 "[ . 1 . 2]" 1
427 1 30 VAL HB 1 78 ILE QG 5.000 . 6.000 4.837 4.477 5.197 . 0 0 "[ . 1 . 2]" 1
428 1 30 VAL HB 1 78 ILE MG 5.500 . 6.500 2.394 2.046 2.654 . 0 0 "[ . 1 . 2]" 1
429 1 30 VAL HB 1 79 LEU HG 5.000 . 5.000 4.797 4.417 5.005 0.005 13 0 "[ . 1 . 2]" 1
430 1 30 VAL MG1 1 31 ALA H 5.500 . 6.500 3.398 3.221 3.573 . 0 0 "[ . 1 . 2]" 1
431 1 30 VAL MG1 1 34 TYR HB3 5.500 . 6.500 4.685 4.470 5.214 . 0 0 "[ . 1 . 2]" 1
432 1 30 VAL MG1 1 34 TYR HB2 5.500 . 6.500 3.484 3.242 4.069 . 0 0 "[ . 1 . 2]" 1
433 1 30 VAL MG1 1 34 TYR QD 3.800 . 7.200 2.784 1.847 3.955 . 0 0 "[ . 1 . 2]" 1
434 1 30 VAL MG1 1 34 TYR QE 5.500 . 8.900 3.617 2.546 4.654 . 0 0 "[ . 1 . 2]" 1
435 1 30 VAL MG1 1 44 LEU QD 5.500 . 8.900 2.674 2.397 2.843 . 0 0 "[ . 1 . 2]" 1
436 1 30 VAL MG1 1 78 ILE MG 6.000 . 8.000 2.218 1.838 2.551 . 0 0 "[ . 1 . 2]" 1
437 1 30 VAL H 1 30 VAL MG2 4.000 . 4.600 2.180 2.013 2.379 . 0 0 "[ . 1 . 2]" 1
438 1 30 VAL MG2 1 31 ALA H 5.500 . 6.500 3.871 3.755 4.030 . 0 0 "[ . 1 . 2]" 1
439 1 30 VAL MG2 1 34 TYR QD 5.500 . 8.900 4.789 4.261 5.599 . 0 0 "[ . 1 . 2]" 1
440 1 30 VAL MG2 1 34 TYR QE 5.500 . 8.900 4.906 4.126 5.932 . 0 0 "[ . 1 . 2]" 1
441 1 30 VAL MG2 1 56 TRP HE1 5.500 . 6.500 3.367 2.882 3.904 . 0 0 "[ . 1 . 2]" 1
442 1 30 VAL MG2 1 56 TRP HH2 6.500 . 7.500 3.670 3.367 3.887 . 0 0 "[ . 1 . 2]" 1
443 1 30 VAL MG2 1 56 TRP HZ2 6.500 . 7.500 2.912 2.438 3.255 . 0 0 "[ . 1 . 2]" 1
444 1 30 VAL H 1 31 ALA H 2.900 . 2.900 2.759 2.658 2.827 . 0 0 "[ . 1 . 2]" 1
445 1 31 ALA H 1 31 ALA HA 2.900 . 2.900 2.911 2.881 2.944 0.044 9 0 "[ . 1 . 2]" 1
446 1 31 ALA HA 1 32 ALA H 3.500 . 3.500 3.503 3.472 3.550 0.050 16 0 "[ . 1 . 2]" 1
447 1 31 ALA HA 1 34 TYR HB2 5.000 . 5.000 3.002 2.790 3.233 . 0 0 "[ . 1 . 2]" 1
448 1 31 ALA HA 1 34 TYR H 3.500 . 3.500 3.480 3.373 3.557 0.057 3 0 "[ . 1 . 2]" 1
449 1 31 ALA HA 1 79 LEU QB 5.000 . 6.000 4.556 4.310 4.800 . 0 0 "[ . 1 . 2]" 1
450 1 31 ALA HA 1 79 LEU QD 3.300 . 5.700 2.308 1.899 2.811 . 0 0 "[ . 1 . 2]" 1
451 1 31 ALA H 1 31 ALA MB 3.400 . 4.000 2.044 1.937 2.169 . 0 0 "[ . 1 . 2]" 1
452 1 31 ALA MB 1 32 ALA HA 3.800 . 4.800 3.836 3.783 3.919 . 0 0 "[ . 1 . 2]" 1
453 1 31 ALA MB 1 32 ALA H 5.500 . 6.500 2.804 2.498 2.918 . 0 0 "[ . 1 . 2]" 1
454 1 31 ALA MB 1 78 ILE MG 7.000 . 9.000 3.328 2.987 3.859 . 0 0 "[ . 1 . 2]" 1
455 1 31 ALA MB 1 79 LEU QD 6.500 . 9.900 2.125 1.792 2.761 . 0 0 "[ . 1 . 2]" 1
456 1 31 ALA H 1 32 ALA H 2.900 . 2.900 2.494 2.360 2.601 . 0 0 "[ . 1 . 2]" 1
457 1 31 ALA H 1 78 ILE MG 5.500 . 6.500 3.584 3.280 3.771 . 0 0 "[ . 1 . 2]" 1
458 1 32 ALA H 1 32 ALA HA 2.900 . 2.900 2.896 2.872 2.917 0.017 14 0 "[ . 1 . 2]" 1
459 1 32 ALA HA 1 33 LYS H 3.500 . 3.500 3.518 3.496 3.539 0.039 4 0 "[ . 1 . 2]" 1
460 1 32 ALA H 1 32 ALA MB 3.400 . 4.000 2.070 1.922 2.168 . 0 0 "[ . 1 . 2]" 1
461 1 32 ALA MB 1 33 LYS H 4.000 . 5.000 2.735 2.597 2.914 . 0 0 "[ . 1 . 2]" 1
462 1 32 ALA H 1 33 LYS H 2.900 . 2.900 2.542 2.447 2.623 . 0 0 "[ . 1 . 2]" 1
463 1 33 LYS HA 1 33 LYS QE 5.500 . 6.100 3.957 2.392 4.779 . 0 0 "[ . 1 . 2]" 1
464 1 33 LYS HA 1 33 LYS QG 3.300 . 3.900 2.567 2.103 3.184 . 0 0 "[ . 1 . 2]" 1
465 1 33 LYS H 1 33 LYS HA 2.900 . 2.900 2.945 2.936 2.952 0.052 13 0 "[ . 1 . 2]" 1
466 1 33 LYS HA 1 34 TYR H 5.000 . 5.000 3.569 3.539 3.593 . 0 0 "[ . 1 . 2]" 1
467 1 33 LYS HA 1 56 TRP HH2 5.000 . 5.000 4.753 4.490 4.881 . 0 0 "[ . 1 . 2]" 1
468 1 33 LYS H 1 33 LYS HB3 2.900 . 2.900 2.421 2.125 2.777 . 0 0 "[ . 1 . 2]" 1
469 1 33 LYS HB3 1 34 TYR QD 5.000 . 7.400 3.148 1.950 4.239 . 0 0 "[ . 1 . 2]" 1
470 1 33 LYS HB3 1 34 TYR H 3.500 . 3.500 2.554 2.353 2.745 . 0 0 "[ . 1 . 2]" 1
471 1 33 LYS HB3 1 56 TRP HH2 5.000 . 5.000 1.856 1.832 1.896 . 0 0 "[ . 1 . 2]" 1
472 1 33 LYS HB3 1 56 TRP HZ2 5.000 . 5.000 3.885 3.594 4.093 . 0 0 "[ . 1 . 2]" 1
473 1 33 LYS HB3 1 56 TRP HZ3 3.300 . 3.300 3.327 3.299 3.344 0.044 14 0 "[ . 1 . 2]" 1
474 1 33 LYS H 1 33 LYS HB2 3.500 . 3.500 2.615 2.243 2.908 . 0 0 "[ . 1 . 2]" 1
475 1 33 LYS HB2 1 34 TYR QE 5.000 . 7.400 5.605 4.745 6.559 . 0 0 "[ . 1 . 2]" 1
476 1 33 LYS HB2 1 34 TYR H 5.000 . 5.000 3.799 3.414 4.059 . 0 0 "[ . 1 . 2]" 1
477 1 33 LYS HB2 1 56 TRP HH2 5.000 . 5.000 2.785 2.201 3.170 . 0 0 "[ . 1 . 2]" 1
478 1 33 LYS QD 1 34 TYR QE 5.500 . 8.900 4.974 2.808 6.566 . 0 0 "[ . 1 . 2]" 1
479 1 33 LYS QD 1 56 TRP HH2 6.500 . 7.500 3.777 2.431 4.723 . 0 0 "[ . 1 . 2]" 1
480 1 33 LYS QD 1 56 TRP HZ2 6.500 . 7.500 5.601 3.799 6.587 . 0 0 "[ . 1 . 2]" 1
481 1 33 LYS QD 1 56 TRP HZ3 6.500 . 7.500 3.087 1.886 5.005 . 0 0 "[ . 1 . 2]" 1
482 1 33 LYS QE 1 34 TYR QE 5.500 . 8.900 5.092 3.450 6.850 . 0 0 "[ . 1 . 2]" 1
483 1 33 LYS QG 1 34 TYR HA 5.000 . 6.000 3.815 3.224 4.585 . 0 0 "[ . 1 . 2]" 1
484 1 33 LYS QG 1 34 TYR QE 5.000 . 8.400 3.766 2.253 4.848 . 0 0 "[ . 1 . 2]" 1
485 1 33 LYS QG 1 34 TYR H 5.000 . 6.000 3.552 2.969 4.127 . 0 0 "[ . 1 . 2]" 1
486 1 33 LYS QG 1 56 TRP HZ3 5.000 . 6.000 3.258 2.434 4.271 . 0 0 "[ . 1 . 2]" 1
487 1 33 LYS HG2 1 34 TYR QD 6.500 . 9.900 3.933 1.866 5.312 . 0 0 "[ . 1 . 2]" 1
488 1 33 LYS H 1 34 TYR H 2.900 . 2.900 2.403 2.313 2.512 . 0 0 "[ . 1 . 2]" 1
489 1 33 LYS H 1 35 ALA H 3.500 . 3.500 3.530 3.468 3.567 0.067 3 0 "[ . 1 . 2]" 1
490 1 33 LYS H 1 56 TRP HH2 5.000 . 5.000 3.388 3.134 3.632 . 0 0 "[ . 1 . 2]" 1
491 1 34 TYR HA 1 34 TYR QD 3.300 . 5.300 2.494 1.852 3.017 . 0 0 "[ . 1 . 2]" 1
492 1 34 TYR HA 1 35 ALA H 3.500 . 3.500 3.344 3.235 3.426 . 0 0 "[ . 1 . 2]" 1
493 1 34 TYR HA 1 37 GLN QG 3.300 . 4.300 3.069 2.493 3.541 . 0 0 "[ . 1 . 2]" 1
494 1 34 TYR HB3 1 34 TYR QD 3.300 . 5.300 2.509 2.302 2.761 . 0 0 "[ . 1 . 2]" 1
495 1 34 TYR HB3 1 40 ALA HA 5.000 . 5.000 4.998 4.845 5.058 0.058 12 0 "[ . 1 . 2]" 1
496 1 34 TYR HB3 1 40 ALA MB 5.500 . 6.500 2.557 2.320 2.759 . 0 0 "[ . 1 . 2]" 1
497 1 34 TYR HB3 1 44 LEU QD 5.000 . 7.400 3.770 3.168 4.105 . 0 0 "[ . 1 . 2]" 1
498 1 34 TYR HB3 1 79 LEU QD 5.000 . 7.400 3.597 3.157 4.020 . 0 0 "[ . 1 . 2]" 1
499 1 34 TYR HB2 1 34 TYR QD 3.300 . 5.300 2.451 2.304 2.786 . 0 0 "[ . 1 . 2]" 1
500 1 34 TYR H 1 34 TYR HB2 3.500 . 3.500 2.129 2.076 2.226 . 0 0 "[ . 1 . 2]" 1
501 1 34 TYR HB2 1 35 ALA H 5.000 . 5.000 3.458 3.192 3.690 . 0 0 "[ . 1 . 2]" 1
502 1 34 TYR HB2 1 40 ALA MB 5.500 . 6.500 3.773 3.595 4.062 . 0 0 "[ . 1 . 2]" 1
503 1 34 TYR HB2 1 44 LEU QD 5.000 . 7.400 3.910 3.515 4.252 . 0 0 "[ . 1 . 2]" 1
504 1 34 TYR HB2 1 79 LEU QD 5.000 . 7.400 3.486 3.075 3.773 . 0 0 "[ . 1 . 2]" 1
505 1 34 TYR QD 1 37 GLN QB 6.500 . 9.900 3.906 3.366 4.770 . 0 0 "[ . 1 . 2]" 1
506 1 34 TYR QD 1 37 GLN QG 5.000 . 8.400 2.909 1.877 3.890 . 0 0 "[ . 1 . 2]" 1
507 1 34 TYR QD 1 40 ALA MB 6.500 . 9.900 2.909 2.055 3.900 . 0 0 "[ . 1 . 2]" 1
508 1 34 TYR QD 1 44 LEU QD 6.000 . 10.800 3.344 2.714 3.802 . 0 0 "[ . 1 . 2]" 1
509 1 34 TYR QD 1 56 TRP HZ2 5.000 . 7.400 2.797 2.122 4.109 . 0 0 "[ . 1 . 2]" 1
510 1 34 TYR QE 1 37 GLN QG 5.000 . 8.400 4.526 3.379 5.349 . 0 0 "[ . 1 . 2]" 1
511 1 34 TYR QE 1 43 TYR HB3 6.000 . 8.400 5.655 4.021 7.074 . 0 0 "[ . 1 . 2]" 1
512 1 34 TYR QE 1 43 TYR QE 3.300 . 8.100 4.368 3.242 6.298 . 0 0 "[ . 1 . 2]" 1
513 1 34 TYR QE 1 44 LEU QD 5.000 . 9.800 3.594 2.923 4.279 . 0 0 "[ . 1 . 2]" 1
514 1 34 TYR QE 1 56 TRP HE1 5.000 . 7.400 3.544 1.905 5.243 . 0 0 "[ . 1 . 2]" 1
515 1 34 TYR QE 1 56 TRP HZ2 3.300 . 5.700 2.640 1.881 4.160 . 0 0 "[ . 1 . 2]" 1
516 1 34 TYR QE 1 79 LEU QD 6.000 . 10.800 5.724 5.204 6.203 . 0 0 "[ . 1 . 2]" 1
517 1 34 TYR H 1 35 ALA H 2.900 . 2.900 2.472 2.308 2.631 . 0 0 "[ . 1 . 2]" 1
518 1 35 ALA H 1 35 ALA HA 2.900 . 2.900 2.816 2.760 2.856 . 0 0 "[ . 1 . 2]" 1
519 1 35 ALA HA 1 36 GLY H 2.900 . 2.900 2.254 2.212 2.366 . 0 0 "[ . 1 . 2]" 1
520 1 35 ALA HA 1 37 GLN H 5.000 . 5.000 3.974 3.306 4.928 . 0 0 "[ . 1 . 2]" 1
521 1 35 ALA H 1 35 ALA MB 3.400 . 4.000 2.015 1.912 2.149 . 0 0 "[ . 1 . 2]" 1
522 1 35 ALA MB 1 36 GLY H 5.500 . 6.500 3.411 3.051 3.664 . 0 0 "[ . 1 . 2]" 1
523 1 35 ALA H 1 36 GLY H 5.000 . 5.000 4.454 4.183 4.667 . 0 0 "[ . 1 . 2]" 1
524 1 36 GLY QA 1 37 GLN HA 5.000 . 6.000 4.090 4.008 4.192 . 0 0 "[ . 1 . 2]" 1
525 1 36 GLY QA 1 37 GLN H 3.500 . 4.500 2.758 2.391 2.926 . 0 0 "[ . 1 . 2]" 1
526 1 36 GLY H 1 37 GLN H 2.900 . 2.900 2.311 1.856 2.865 . 0 0 "[ . 1 . 2]" 1
527 1 36 GLY H 1 79 LEU QD 5.000 . 7.400 4.635 3.854 5.093 . 0 0 "[ . 1 . 2]" 1
528 1 37 GLN HA 1 38 ALA MB 6.500 . 7.500 3.907 3.852 3.951 . 0 0 "[ . 1 . 2]" 1
529 1 37 GLN HA 1 38 ALA H 2.900 . 2.900 2.288 2.214 2.463 . 0 0 "[ . 1 . 2]" 1
530 1 37 GLN QB 1 38 ALA H 5.500 . 6.500 3.086 2.603 3.450 . 0 0 "[ . 1 . 2]" 1
531 1 37 GLN QB 1 40 ALA MB 7.000 . 9.000 1.906 1.741 2.289 . 0 0 "[ . 1 . 2]" 1
532 1 37 GLN QB 1 40 ALA H 5.500 . 6.500 2.817 2.133 3.191 . 0 0 "[ . 1 . 2]" 1
533 1 37 GLN HE22 1 43 TYR QE 5.000 . 7.400 6.102 4.869 6.877 . 0 0 "[ . 1 . 2]" 1
534 1 37 GLN H 1 37 GLN QG 3.500 . 4.100 3.056 2.201 3.699 . 0 0 "[ . 1 . 2]" 1
535 1 37 GLN H 1 38 ALA H 5.000 . 5.000 4.566 4.334 4.710 . 0 0 "[ . 1 . 2]" 1
536 1 37 GLN H 1 40 ALA MB 5.500 . 6.500 3.849 3.564 4.205 . 0 0 "[ . 1 . 2]" 1
537 1 38 ALA H 1 38 ALA HA 2.900 . 2.900 2.945 2.935 2.952 0.052 12 0 "[ . 1 . 2]" 1
538 1 38 ALA HA 1 39 GLY H 2.900 . 2.900 2.801 2.684 2.901 0.001 15 0 "[ . 1 . 2]" 1
539 1 38 ALA HA 1 40 ALA H 5.000 . 5.000 4.802 4.511 5.008 0.008 8 0 "[ . 1 . 2]" 1
540 1 38 ALA H 1 38 ALA MB 3.400 . 4.000 2.100 1.965 2.211 . 0 0 "[ . 1 . 2]" 1
541 1 38 ALA MB 1 39 GLY H 5.500 . 6.500 3.700 3.658 3.734 . 0 0 "[ . 1 . 2]" 1
542 1 38 ALA H 1 39 GLY H 3.500 . 3.500 3.325 3.133 3.511 0.011 3 0 "[ . 1 . 2]" 1
543 1 39 GLY QA 1 40 ALA H 2.900 . 3.900 2.668 2.570 2.746 . 0 0 "[ . 1 . 2]" 1
544 1 39 GLY QA 1 42 ALA MB 6.500 . 8.500 3.143 2.822 3.385 . 0 0 "[ . 1 . 2]" 1
545 1 39 GLY QA 1 42 ALA H 3.500 . 4.500 3.401 3.150 3.592 . 0 0 "[ . 1 . 2]" 1
546 1 39 GLY H 1 40 ALA H 2.900 . 2.900 2.093 1.918 2.336 . 0 0 "[ . 1 . 2]" 1
547 1 40 ALA H 1 40 ALA HA 2.900 . 2.900 2.911 2.861 2.954 0.054 5 0 "[ . 1 . 2]" 1
548 1 40 ALA HA 1 41 GLU H 3.500 . 3.500 3.493 3.422 3.573 0.073 14 0 "[ . 1 . 2]" 1
549 1 40 ALA HA 1 43 TYR HB3 3.300 . 3.300 3.132 2.867 3.307 0.007 11 0 "[ . 1 . 2]" 1
550 1 40 ALA HA 1 43 TYR HB2 5.000 . 5.000 4.325 3.582 4.831 . 0 0 "[ . 1 . 2]" 1
551 1 40 ALA HA 1 43 TYR QE 5.000 . 7.400 6.342 5.551 6.751 . 0 0 "[ . 1 . 2]" 1
552 1 40 ALA HA 1 43 TYR H 3.500 . 3.500 3.560 3.528 3.592 0.092 7 0 "[ . 1 . 2]" 1
553 1 40 ALA HA 1 44 LEU QD 6.000 . 8.400 3.682 3.205 3.943 . 0 0 "[ . 1 . 2]" 1
554 1 40 ALA H 1 40 ALA MB 3.400 . 4.000 2.057 1.911 2.208 . 0 0 "[ . 1 . 2]" 1
555 1 40 ALA MB 1 41 GLU H 4.000 . 5.000 2.812 2.408 3.037 . 0 0 "[ . 1 . 2]" 1
556 1 40 ALA MB 1 43 TYR HB3 6.500 . 7.500 4.413 4.252 4.568 . 0 0 "[ . 1 . 2]" 1
557 1 40 ALA MB 1 43 TYR H 5.500 . 6.500 4.813 4.694 4.885 . 0 0 "[ . 1 . 2]" 1
558 1 40 ALA MB 1 79 LEU QD 5.500 . 8.900 2.747 1.992 3.334 . 0 0 "[ . 1 . 2]" 1
559 1 40 ALA H 1 41 GLU H 2.900 . 2.900 2.503 2.284 2.661 . 0 0 "[ . 1 . 2]" 1
560 1 41 GLU H 1 41 GLU HA 2.900 . 2.900 2.887 2.791 2.931 0.031 15 0 "[ . 1 . 2]" 1
561 1 41 GLU HA 1 42 ALA H 5.000 . 5.000 3.535 3.484 3.567 . 0 0 "[ . 1 . 2]" 1
562 1 41 GLU HA 1 44 LEU HB3 3.300 . 3.300 3.328 3.288 3.363 0.063 2 0 "[ . 1 . 2]" 1
563 1 41 GLU HA 1 44 LEU QD 6.000 . 8.400 2.139 1.857 2.498 . 0 0 "[ . 1 . 2]" 1
564 1 41 GLU HA 1 75 ALA MB 5.500 . 6.500 2.164 1.853 2.871 . 0 0 "[ . 1 . 2]" 1
565 1 41 GLU HA 1 79 LEU QD 3.300 . 5.700 3.168 2.536 3.550 . 0 0 "[ . 1 . 2]" 1
566 1 41 GLU QB 1 42 ALA H 4.000 . 5.000 2.990 2.537 3.589 . 0 0 "[ . 1 . 2]" 1
567 1 41 GLU QG 1 42 ALA H 5.500 . 6.500 3.193 1.828 4.442 . 0 0 "[ . 1 . 2]" 1
568 1 41 GLU QG 1 75 ALA MB 7.000 . 9.000 2.868 1.706 4.040 . 0 0 "[ . 1 . 2]" 1
569 1 41 GLU QG 1 76 LYS HA 6.500 . 7.500 3.915 2.415 5.597 . 0 0 "[ . 1 . 2]" 1
570 1 41 GLU QG 1 76 LYS QB 7.000 . 9.000 4.241 2.773 6.309 . 0 0 "[ . 1 . 2]" 1
571 1 41 GLU QG 1 76 LYS QE 7.000 . 9.000 4.555 2.305 6.655 . 0 0 "[ . 1 . 2]" 1
572 1 41 GLU QG 1 79 LEU QD 6.500 . 9.900 3.352 1.928 4.968 . 0 0 "[ . 1 . 2]" 1
573 1 41 GLU H 1 42 ALA H 2.900 . 2.900 2.577 2.400 2.891 . 0 0 "[ . 1 . 2]" 1
574 1 41 GLU H 1 79 LEU QD 5.000 . 7.400 3.718 2.764 4.400 . 0 0 "[ . 1 . 2]" 1
575 1 42 ALA H 1 42 ALA HA 2.900 . 2.900 2.874 2.833 2.901 0.001 8 0 "[ . 1 . 2]" 1
576 1 42 ALA HA 1 45 ALA H 3.500 . 3.500 3.502 3.418 3.557 0.057 11 0 "[ . 1 . 2]" 1
577 1 42 ALA MB 1 43 TYR H 3.400 . 4.400 2.284 2.115 2.462 . 0 0 "[ . 1 . 2]" 1
578 1 42 ALA H 1 43 TYR H 2.900 . 2.900 2.763 2.677 2.912 0.012 14 0 "[ . 1 . 2]" 1
579 1 43 TYR HA 1 43 TYR QD 3.300 . 5.300 2.695 1.864 3.240 . 0 0 "[ . 1 . 2]" 1
580 1 43 TYR H 1 43 TYR HA 2.900 . 2.900 2.893 2.869 2.910 0.010 18 0 "[ . 1 . 2]" 1
581 1 43 TYR HA 1 44 LEU H 5.000 . 5.000 3.498 3.411 3.561 . 0 0 "[ . 1 . 2]" 1
582 1 43 TYR HA 1 46 GLN QB 6.500 . 7.500 2.540 2.296 3.539 . 0 0 "[ . 1 . 2]" 1
583 1 43 TYR HA 1 46 GLN H 2.900 . 2.900 3.066 3.030 3.105 0.205 3 0 "[ . 1 . 2]" 1
584 1 43 TYR HB3 1 43 TYR QD 3.300 . 5.300 2.413 2.292 2.716 . 0 0 "[ . 1 . 2]" 1
585 1 43 TYR H 1 43 TYR HB3 2.900 . 2.900 2.311 2.080 2.666 . 0 0 "[ . 1 . 2]" 1
586 1 43 TYR HB3 1 44 LEU H 3.500 . 3.500 2.845 2.357 3.136 . 0 0 "[ . 1 . 2]" 1
587 1 43 TYR HB2 1 43 TYR QD 3.300 . 5.300 2.499 2.304 2.786 . 0 0 "[ . 1 . 2]" 1
588 1 43 TYR H 1 43 TYR HB2 3.500 . 3.500 2.584 2.204 2.862 . 0 0 "[ . 1 . 2]" 1
589 1 43 TYR HB2 1 44 LEU H 5.000 . 5.000 4.026 3.528 4.225 . 0 0 "[ . 1 . 2]" 1
590 1 43 TYR H 1 43 TYR QD 3.500 . 5.500 4.039 3.826 4.146 . 0 0 "[ . 1 . 2]" 1
591 1 43 TYR QD 1 44 LEU HA 5.000 . 7.400 3.638 2.695 4.687 . 0 0 "[ . 1 . 2]" 1
592 1 43 TYR QD 1 44 LEU QD 5.000 . 9.800 3.647 2.166 4.983 . 0 0 "[ . 1 . 2]" 1
593 1 43 TYR QD 1 44 LEU HG 3.300 . 5.700 3.391 2.291 5.093 . 0 0 "[ . 1 . 2]" 1
594 1 43 TYR QD 1 44 LEU H 5.500 . 6.500 3.607 2.734 4.434 . 0 0 "[ . 1 . 2]" 1
595 1 43 TYR QE 1 44 LEU HG 5.000 . 7.400 5.014 3.586 6.485 . 0 0 "[ . 1 . 2]" 1
596 1 43 TYR H 1 44 LEU H 2.900 . 2.900 2.536 2.465 2.660 . 0 0 "[ . 1 . 2]" 1
597 1 44 LEU HA 1 44 LEU QD 3.300 . 5.300 2.024 1.842 2.876 . 0 0 "[ . 1 . 2]" 1
598 1 44 LEU HA 1 45 ALA H 3.500 . 3.500 3.500 3.465 3.533 0.033 1 0 "[ . 1 . 2]" 1
599 1 44 LEU HA 1 47 ARG QG 3.300 . 4.300 3.647 3.305 3.891 . 0 0 "[ . 1 . 2]" 1
600 1 44 LEU HA 1 47 ARG H 3.500 . 3.500 3.457 3.320 3.530 0.030 8 0 "[ . 1 . 2]" 1
601 1 44 LEU HA 1 48 ILE MD 5.500 . 6.500 3.434 3.203 3.612 . 0 0 "[ . 1 . 2]" 1
602 1 44 LEU HA 1 48 ILE QG 3.300 . 4.300 3.491 3.444 3.564 . 0 0 "[ . 1 . 2]" 1
603 1 44 LEU HA 1 48 ILE H 5.000 . 5.000 4.158 4.036 4.318 . 0 0 "[ . 1 . 2]" 1
604 1 44 LEU H 1 44 LEU HB3 3.500 . 3.500 3.452 3.422 3.481 . 0 0 "[ . 1 . 2]" 1
605 1 44 LEU HB3 1 45 ALA H 5.000 . 5.000 3.555 3.346 3.738 . 0 0 "[ . 1 . 2]" 1
606 1 44 LEU HB3 1 75 ALA HA 6.000 . 6.000 3.134 2.633 3.615 . 0 0 "[ . 1 . 2]" 1
607 1 44 LEU HB3 1 75 ALA MB 5.500 . 6.500 2.206 1.740 2.722 . 0 0 "[ . 1 . 2]" 1
608 1 44 LEU H 1 44 LEU HB2 2.900 . 2.900 2.099 2.050 2.160 . 0 0 "[ . 1 . 2]" 1
609 1 44 LEU HB2 1 45 ALA H 3.500 . 3.500 2.874 2.704 3.006 . 0 0 "[ . 1 . 2]" 1
610 1 44 LEU HB2 1 75 ALA MB 5.500 . 6.500 2.336 1.887 2.757 . 0 0 "[ . 1 . 2]" 1
611 1 44 LEU HB2 1 78 ILE MD 5.500 . 6.500 4.966 4.484 5.221 . 0 0 "[ . 1 . 2]" 1
612 1 44 LEU QD 1 75 ALA HA 6.000 . 8.400 3.205 2.449 3.581 . 0 0 "[ . 1 . 2]" 1
613 1 44 LEU QD 1 78 ILE MD 5.500 . 8.900 2.998 2.108 3.384 . 0 0 "[ . 1 . 2]" 1
614 1 44 LEU H 1 44 LEU HG 3.500 . 3.500 2.743 2.478 3.405 . 0 0 "[ . 1 . 2]" 1
615 1 44 LEU HG 1 75 ALA MB 6.500 . 7.500 4.322 3.864 4.731 . 0 0 "[ . 1 . 2]" 1
616 1 44 LEU HG 1 79 LEU QD 5.000 . 7.400 4.322 3.933 4.720 . 0 0 "[ . 1 . 2]" 1
617 1 44 LEU H 1 45 ALA H 2.900 . 2.900 2.471 2.296 2.614 . 0 0 "[ . 1 . 2]" 1
618 1 44 LEU H 1 46 GLN H 5.000 . 5.000 4.042 3.812 4.399 . 0 0 "[ . 1 . 2]" 1
619 1 45 ALA H 1 45 ALA HA 2.900 . 2.900 2.905 2.872 2.924 0.024 18 0 "[ . 1 . 2]" 1
620 1 45 ALA HA 1 46 GLN H 3.500 . 3.500 3.558 3.538 3.582 0.082 15 0 "[ . 1 . 2]" 1
621 1 45 ALA HA 1 48 ILE HB 2.700 . 2.700 2.425 2.146 2.709 0.009 11 0 "[ . 1 . 2]" 1
622 1 45 ALA HA 1 48 ILE MD 5.500 . 6.500 2.413 1.928 2.949 . 0 0 "[ . 1 . 2]" 1
623 1 45 ALA HA 1 48 ILE MG 6.500 . 7.500 3.600 3.179 4.072 . 0 0 "[ . 1 . 2]" 1
624 1 45 ALA HA 1 48 ILE H 3.500 . 3.500 3.429 3.310 3.507 0.007 7 0 "[ . 1 . 2]" 1
625 1 45 ALA HA 1 49 LYS H 5.000 . 5.000 4.199 4.116 4.290 . 0 0 "[ . 1 . 2]" 1
626 1 45 ALA HA 1 71 ALA MB 5.500 . 6.500 2.398 2.027 2.789 . 0 0 "[ . 1 . 2]" 1
627 1 45 ALA HA 1 75 ALA MB 5.500 . 6.500 3.314 2.847 3.671 . 0 0 "[ . 1 . 2]" 1
628 1 45 ALA HA 1 75 ALA H 5.000 . 5.000 4.594 4.243 4.964 . 0 0 "[ . 1 . 2]" 1
629 1 45 ALA MB 1 46 GLN H 4.000 . 5.000 2.623 2.466 2.749 . 0 0 "[ . 1 . 2]" 1
630 1 45 ALA MB 1 71 ALA MB 7.000 . 9.000 2.532 2.147 2.908 . 0 0 "[ . 1 . 2]" 1
631 1 45 ALA MB 1 71 ALA H 5.500 . 6.500 4.719 4.210 5.075 . 0 0 "[ . 1 . 2]" 1
632 1 45 ALA MB 1 72 GLN HA 3.800 . 4.800 2.466 1.949 2.972 . 0 0 "[ . 1 . 2]" 1
633 1 45 ALA MB 1 72 GLN QB 7.000 . 9.000 3.623 2.378 4.187 . 0 0 "[ . 1 . 2]" 1
634 1 45 ALA MB 1 72 GLN QG 6.500 . 8.500 2.863 2.060 4.283 . 0 0 "[ . 1 . 2]" 1
635 1 45 ALA MB 1 72 GLN H 5.500 . 6.500 3.636 3.050 4.151 . 0 0 "[ . 1 . 2]" 1
636 1 45 ALA MB 1 75 ALA MB 7.000 . 9.000 3.034 2.719 3.278 . 0 0 "[ . 1 . 2]" 1
637 1 45 ALA H 1 46 GLN QB 5.500 . 6.500 4.212 3.991 4.669 . 0 0 "[ . 1 . 2]" 1
638 1 45 ALA H 1 46 GLN H 2.900 . 2.900 2.506 2.380 2.635 . 0 0 "[ . 1 . 2]" 1
639 1 45 ALA H 1 75 ALA MB 4.000 . 5.000 3.351 2.806 3.806 . 0 0 "[ . 1 . 2]" 1
640 1 46 GLN HA 1 46 GLN HE22 6.000 . 6.000 5.417 3.440 5.820 . 0 0 "[ . 1 . 2]" 1
641 1 46 GLN H 1 46 GLN HA 2.900 . 2.900 2.917 2.899 2.927 0.027 18 0 "[ . 1 . 2]" 1
642 1 46 GLN HA 1 47 ARG H 6.000 . 6.000 3.518 3.460 3.577 . 0 0 "[ . 1 . 2]" 1
643 1 46 GLN HA 1 49 LYS QB 3.300 . 4.300 3.060 2.873 3.344 . 0 0 "[ . 1 . 2]" 1
644 1 46 GLN HA 1 49 LYS QD 6.500 . 7.500 4.461 3.591 5.346 . 0 0 "[ . 1 . 2]" 1
645 1 46 GLN HA 1 49 LYS H 3.500 . 3.500 3.577 3.526 3.609 0.109 3 0 "[ . 1 . 2]" 1
646 1 46 GLN QB 1 47 ARG HA 6.500 . 7.500 4.073 3.899 4.624 . 0 0 "[ . 1 . 2]" 1
647 1 46 GLN QB 1 47 ARG QG 6.500 . 8.500 3.135 2.844 4.043 . 0 0 "[ . 1 . 2]" 1
648 1 46 GLN QB 1 47 ARG H 4.000 . 5.000 2.833 2.487 3.618 . 0 0 "[ . 1 . 2]" 1
649 1 46 GLN H 1 46 GLN QG 3.500 . 4.100 3.144 2.052 3.759 . 0 0 "[ . 1 . 2]" 1
650 1 46 GLN QG 1 49 LYS QB 5.000 . 7.000 4.431 3.887 5.433 . 0 0 "[ . 1 . 2]" 1
651 1 46 GLN H 1 47 ARG H 3.500 . 3.500 2.502 2.367 2.642 . 0 0 "[ . 1 . 2]" 1
652 1 47 ARG HA 1 47 ARG QD 3.300 . 3.900 2.294 1.828 3.448 . 0 0 "[ . 1 . 2]" 1
653 1 47 ARG HA 1 47 ARG QG 3.300 . 3.900 2.649 2.311 3.015 . 0 0 "[ . 1 . 2]" 1
654 1 47 ARG HA 1 48 ILE HA 5.000 . 5.000 4.733 4.707 4.765 . 0 0 "[ . 1 . 2]" 1
655 1 47 ARG HA 1 50 ASN QB 5.000 . 6.000 3.372 2.918 4.425 . 0 0 "[ . 1 . 2]" 1
656 1 47 ARG HA 1 50 ASN H 3.500 . 3.500 3.467 3.372 3.578 0.078 2 0 "[ . 1 . 2]" 1
657 1 47 ARG HA 1 51 GLY H 3.500 . 3.500 3.532 3.376 3.593 0.093 3 0 "[ . 1 . 2]" 1
658 1 47 ARG HA 1 52 SER QB 6.500 . 7.500 3.646 2.846 4.238 . 0 0 "[ . 1 . 2]" 1
659 1 47 ARG HA 1 61 MET ME 5.500 . 6.500 4.241 3.822 5.043 . 0 0 "[ . 1 . 2]" 1
660 1 47 ARG HB3 1 52 SER QB 5.500 . 6.500 3.652 2.632 4.536 . 0 0 "[ . 1 . 2]" 1
661 1 47 ARG HB3 1 61 MET ME 5.500 . 6.500 3.374 2.899 4.019 . 0 0 "[ . 1 . 2]" 1
662 1 47 ARG H 1 47 ARG HB2 3.500 . 3.500 2.267 2.092 2.405 . 0 0 "[ . 1 . 2]" 1
663 1 47 ARG HB2 1 61 MET ME 5.500 . 6.500 3.914 3.263 4.927 . 0 0 "[ . 1 . 2]" 1
664 1 47 ARG QD 1 61 MET ME 5.500 . 7.500 4.589 4.021 5.165 . 0 0 "[ . 1 . 2]" 1
665 1 47 ARG HE 1 55 VAL MG1 6.500 . 7.500 5.199 3.590 6.124 . 0 0 "[ . 1 . 2]" 1
666 1 47 ARG H 1 47 ARG QG 2.900 . 3.500 2.475 2.075 2.974 . 0 0 "[ . 1 . 2]" 1
667 1 47 ARG QG 1 52 SER QB 6.500 . 8.500 4.236 3.610 5.063 . 0 0 "[ . 1 . 2]" 1
668 1 47 ARG QH 1 52 SER QB 9.000 . 10.000 2.801 1.838 4.122 . 0 0 "[ . 1 . 2]" 1
669 1 47 ARG QH 1 55 VAL MG2 8.000 . 9.000 3.834 2.151 5.318 . 0 0 "[ . 1 . 2]" 1
670 1 47 ARG H 1 48 ILE H 2.900 . 2.900 2.325 2.229 2.523 . 0 0 "[ . 1 . 2]" 1
671 1 48 ILE HA 1 48 ILE QG 3.300 . 3.900 2.312 2.259 2.428 . 0 0 "[ . 1 . 2]" 1
672 1 48 ILE HA 1 49 LYS HA 5.000 . 5.000 4.728 4.691 4.763 . 0 0 "[ . 1 . 2]" 1
673 1 48 ILE HA 1 49 LYS H 5.000 . 5.000 3.527 3.468 3.566 . 0 0 "[ . 1 . 2]" 1
674 1 48 ILE HA 1 51 GLY H 3.500 . 3.500 3.459 3.319 3.539 0.039 10 0 "[ . 1 . 2]" 1
675 1 48 ILE HA 1 61 MET HB3 5.000 . 5.000 4.892 4.411 5.037 0.037 8 0 "[ . 1 . 2]" 1
676 1 48 ILE HA 1 61 MET ME 5.500 . 6.500 1.865 1.711 2.493 . 0 0 "[ . 1 . 2]" 1
677 1 48 ILE HA 1 64 ASN HD21 5.000 . 5.000 3.937 3.642 4.297 . 0 0 "[ . 1 . 2]" 1
678 1 48 ILE HA 1 64 ASN HD22 5.000 . 5.000 4.569 4.089 4.989 . 0 0 "[ . 1 . 2]" 1
679 1 48 ILE H 1 48 ILE HB 2.900 . 2.900 2.178 2.101 2.319 . 0 0 "[ . 1 . 2]" 1
680 1 48 ILE HB 1 49 LYS H 3.500 . 3.500 2.873 2.727 3.000 . 0 0 "[ . 1 . 2]" 1
681 1 48 ILE HB 1 66 VAL MG2 6.500 . 7.500 3.896 3.500 4.271 . 0 0 "[ . 1 . 2]" 1
682 1 48 ILE H 1 48 ILE MD 5.500 . 6.100 3.484 3.243 3.677 . 0 0 "[ . 1 . 2]" 1
683 1 48 ILE MD 1 61 MET ME 7.000 . 9.000 3.893 3.526 4.155 . 0 0 "[ . 1 . 2]" 1
684 1 48 ILE MD 1 71 ALA HA 5.500 . 6.500 3.496 3.082 3.907 . 0 0 "[ . 1 . 2]" 1
685 1 48 ILE MD 1 74 LEU HB3 3.800 . 4.800 2.809 2.519 3.307 . 0 0 "[ . 1 . 2]" 1
686 1 48 ILE MD 1 74 LEU HB2 5.500 . 6.500 2.968 2.579 3.369 . 0 0 "[ . 1 . 2]" 1
687 1 48 ILE MD 1 75 ALA HA 5.500 . 6.500 2.696 2.306 2.905 . 0 0 "[ . 1 . 2]" 1
688 1 48 ILE MD 1 75 ALA MB 6.000 . 8.000 2.441 1.974 2.804 . 0 0 "[ . 1 . 2]" 1
689 1 48 ILE MD 1 75 ALA H 5.500 . 6.500 3.194 2.671 3.420 . 0 0 "[ . 1 . 2]" 1
690 1 48 ILE MD 1 78 ILE MD 7.000 . 9.000 2.349 2.123 2.488 . 0 0 "[ . 1 . 2]" 1
691 1 48 ILE H 1 48 ILE QG 2.900 . 3.500 2.646 2.338 2.803 . 0 0 "[ . 1 . 2]" 1
692 1 48 ILE QG 1 61 MET ME 5.500 . 7.500 2.421 2.079 2.695 . 0 0 "[ . 1 . 2]" 1
693 1 48 ILE QG 1 74 LEU HB3 5.000 . 6.000 4.285 3.973 4.592 . 0 0 "[ . 1 . 2]" 1
694 1 48 ILE MG 1 49 LYS HA 6.500 . 7.500 3.408 3.146 3.659 . 0 0 "[ . 1 . 2]" 1
695 1 48 ILE MG 1 49 LYS H 5.500 . 6.500 3.370 3.055 3.730 . 0 0 "[ . 1 . 2]" 1
696 1 48 ILE MG 1 61 MET ME 7.000 . 9.000 3.244 2.214 4.030 . 0 0 "[ . 1 . 2]" 1
697 1 48 ILE MG 1 64 ASN HD21 5.500 . 6.500 3.697 3.198 4.100 . 0 0 "[ . 1 . 2]" 1
698 1 48 ILE MG 1 66 VAL HB 5.500 . 6.500 3.755 3.365 4.103 . 0 0 "[ . 1 . 2]" 1
699 1 48 ILE MG 1 71 ALA HA 5.500 . 6.500 2.540 1.928 3.008 . 0 0 "[ . 1 . 2]" 1
700 1 48 ILE MG 1 71 ALA MB 7.000 . 9.000 2.036 1.788 2.357 . 0 0 "[ . 1 . 2]" 1
701 1 48 ILE MG 1 74 LEU QD 6.500 . 9.900 2.230 1.891 2.549 . 0 0 "[ . 1 . 2]" 1
702 1 48 ILE H 1 49 LYS H 2.900 . 2.900 2.340 2.252 2.468 . 0 0 "[ . 1 . 2]" 1
703 1 48 ILE H 1 61 MET ME 5.500 . 6.500 3.734 3.506 4.093 . 0 0 "[ . 1 . 2]" 1
704 1 49 LYS H 1 49 LYS HA 2.900 . 2.900 2.943 2.924 2.955 0.055 7 0 "[ . 1 . 2]" 1
705 1 49 LYS HA 1 64 ASN HB3 5.000 . 5.000 5.022 4.940 5.071 0.071 14 0 "[ . 1 . 2]" 1
706 1 49 LYS HA 1 64 ASN HB2 5.000 . 5.000 3.412 3.303 3.650 . 0 0 "[ . 1 . 2]" 1
707 1 49 LYS HA 1 64 ASN H 3.500 . 3.500 3.229 2.961 3.520 0.020 14 0 "[ . 1 . 2]" 1
708 1 49 LYS HA 1 66 VAL MG2 5.500 . 6.500 2.185 1.916 2.724 . 0 0 "[ . 1 . 2]" 1
709 1 49 LYS H 1 49 LYS QB 2.900 . 3.500 2.107 1.967 2.220 . 0 0 "[ . 1 . 2]" 1
710 1 49 LYS QB 1 50 ASN H 3.500 . 4.500 3.000 2.706 3.203 . 0 0 "[ . 1 . 2]" 1
711 1 49 LYS QD 1 68 ASP HA 3.800 . 4.800 3.205 2.034 4.257 . 0 0 "[ . 1 . 2]" 1
712 1 49 LYS QD 1 68 ASP QB 7.000 . 9.000 3.972 2.954 4.854 . 0 0 "[ . 1 . 2]" 1
713 1 49 LYS QG 1 66 VAL MG2 5.500 . 7.500 2.359 1.804 3.152 . 0 0 "[ . 1 . 2]" 1
714 1 49 LYS QG 1 67 SER HA 5.000 . 6.000 4.353 3.571 5.110 . 0 0 "[ . 1 . 2]" 1
715 1 49 LYS H 1 50 ASN H 2.900 . 2.900 2.382 2.296 2.484 . 0 0 "[ . 1 . 2]" 1
716 1 49 LYS H 1 66 VAL MG2 5.500 . 6.500 3.831 3.514 4.249 . 0 0 "[ . 1 . 2]" 1
717 1 49 LYS H 1 71 ALA MB 5.500 . 6.500 3.383 2.722 3.876 . 0 0 "[ . 1 . 2]" 1
718 1 50 ASN HA 1 51 GLY H 5.000 . 5.000 3.384 3.304 3.448 . 0 0 "[ . 1 . 2]" 1
719 1 50 ASN HA 1 63 PRO HA 5.000 . 5.000 3.247 2.971 3.486 . 0 0 "[ . 1 . 2]" 1
720 1 50 ASN HA 1 63 PRO QB 3.300 . 4.300 1.911 1.793 2.261 . 0 0 "[ . 1 . 2]" 1
721 1 50 ASN HA 1 63 PRO QG 6.000 . 7.000 3.661 3.380 4.011 . 0 0 "[ . 1 . 2]" 1
722 1 50 ASN H 1 50 ASN QB 2.900 . 3.500 2.409 2.154 2.802 . 0 0 "[ . 1 . 2]" 1
723 1 50 ASN QB 1 51 GLY H 3.500 . 4.500 3.213 2.954 3.781 . 0 0 "[ . 1 . 2]" 1
724 1 50 ASN H 1 51 GLY H 2.900 . 2.900 1.935 1.855 2.124 . 0 0 "[ . 1 . 2]" 1
725 1 50 ASN H 1 63 PRO QB 5.000 . 6.000 4.218 4.041 4.479 . 0 0 "[ . 1 . 2]" 1
726 1 51 GLY QA 1 52 SER QB 6.500 . 8.500 3.551 3.435 4.249 . 0 0 "[ . 1 . 2]" 1
727 1 51 GLY QA 1 52 SER H 2.900 . 3.900 2.347 2.328 2.360 . 0 0 "[ . 1 . 2]" 1
728 1 51 GLY QA 1 61 MET HB3 5.000 . 6.000 2.357 2.146 2.517 . 0 0 "[ . 1 . 2]" 1
729 1 51 GLY QA 1 61 MET ME 5.500 . 7.500 2.233 1.701 3.116 . 0 0 "[ . 1 . 2]" 1
730 1 51 GLY QA 1 61 MET HG3 3.300 . 4.300 3.933 3.716 4.008 . 0 0 "[ . 1 . 2]" 1
731 1 51 GLY QA 1 61 MET HG2 5.000 . 6.000 2.989 2.199 3.686 . 0 0 "[ . 1 . 2]" 1
732 1 51 GLY QA 1 63 PRO HA 3.300 . 4.300 2.632 2.449 2.827 . 0 0 "[ . 1 . 2]" 1
733 1 51 GLY QA 1 63 PRO QB 5.000 . 7.000 3.665 3.351 3.841 . 0 0 "[ . 1 . 2]" 1
734 1 51 GLY QA 1 63 PRO QD 6.000 . 8.000 3.089 2.721 3.453 . 0 0 "[ . 1 . 2]" 1
735 1 51 GLY H 1 61 MET ME 5.500 . 6.500 3.265 2.636 3.944 . 0 0 "[ . 1 . 2]" 1
736 1 51 GLY H 1 63 PRO HA 3.500 . 3.500 2.981 2.798 3.160 . 0 0 "[ . 1 . 2]" 1
737 1 51 GLY H 1 63 PRO QB 3.500 . 4.500 3.813 3.759 3.902 . 0 0 "[ . 1 . 2]" 1
738 1 52 SER HA 1 53 GLN HE22 5.000 . 5.000 4.772 4.432 5.031 0.031 10 0 "[ . 1 . 2]" 1
739 1 52 SER HA 1 53 GLN H 2.900 . 2.900 2.417 2.283 2.501 . 0 0 "[ . 1 . 2]" 1
740 1 52 SER QB 1 53 GLN H 5.500 . 6.500 2.912 2.603 3.497 . 0 0 "[ . 1 . 2]" 1
741 1 52 SER QB 1 55 VAL MG1 6.000 . 8.000 4.604 3.850 5.246 . 0 0 "[ . 1 . 2]" 1
742 1 52 SER QB 1 61 MET HB3 5.500 . 6.500 4.458 4.099 4.945 . 0 0 "[ . 1 . 2]" 1
743 1 52 SER QB 1 61 MET HB2 5.500 . 6.500 5.732 5.429 5.961 . 0 0 "[ . 1 . 2]" 1
744 1 52 SER QB 1 61 MET ME 6.000 . 8.000 4.487 3.640 5.670 . 0 0 "[ . 1 . 2]" 1
745 1 52 SER QB 1 61 MET H 5.500 . 6.500 4.386 4.226 4.645 . 0 0 "[ . 1 . 2]" 1
746 1 52 SER H 1 61 MET HB3 2.900 . 2.900 2.149 2.066 2.198 . 0 0 "[ . 1 . 2]" 1
747 1 52 SER H 1 61 MET HB2 3.500 . 3.500 3.646 3.531 3.723 0.223 3 0 "[ . 1 . 2]" 1
748 1 52 SER H 1 61 MET ME 5.500 . 6.500 3.626 2.976 4.779 . 0 0 "[ . 1 . 2]" 1
749 1 52 SER H 1 61 MET HG3 5.000 . 5.000 4.901 4.773 5.032 0.032 4 0 "[ . 1 . 2]" 1
750 1 52 SER H 1 61 MET HG2 5.000 . 5.000 4.186 3.728 4.627 . 0 0 "[ . 1 . 2]" 1
751 1 52 SER H 1 61 MET H 3.500 . 3.500 2.168 1.939 2.342 . 0 0 "[ . 1 . 2]" 1
752 1 53 GLN HA 1 54 GLY QA 5.000 . 6.000 4.238 4.188 4.305 . 0 0 "[ . 1 . 2]" 1
753 1 53 GLN HA 1 54 GLY H 2.900 . 2.900 2.695 2.582 2.844 . 0 0 "[ . 1 . 2]" 1
754 1 53 GLN HA 1 55 VAL H 5.000 . 5.000 3.045 2.928 3.158 . 0 0 "[ . 1 . 2]" 1
755 1 53 GLN HA 1 60 PRO HA 3.300 . 3.300 1.924 1.818 2.040 . 0 0 "[ . 1 . 2]" 1
756 1 53 GLN HA 1 60 PRO QB 5.000 . 6.000 2.531 2.336 3.087 . 0 0 "[ . 1 . 2]" 1
757 1 53 GLN QB 1 54 GLY QA 6.500 . 8.500 4.216 3.994 4.295 . 0 0 "[ . 1 . 2]" 1
758 1 53 GLN QB 1 54 GLY H 5.500 . 6.500 2.702 2.253 2.913 . 0 0 "[ . 1 . 2]" 1
759 1 53 GLN QB 1 60 PRO HA 6.500 . 7.500 2.935 2.607 3.080 . 0 0 "[ . 1 . 2]" 1
760 1 53 GLN QB 1 60 PRO QB 3.800 . 5.800 1.776 1.727 1.823 . 0 0 "[ . 1 . 2]" 1
761 1 53 GLN H 1 53 GLN HE22 3.500 . 3.500 3.018 2.703 3.541 0.041 4 0 "[ . 1 . 2]" 1
762 1 53 GLN QG 1 54 GLY QA 6.000 . 8.000 2.817 2.655 2.862 . 0 0 "[ . 1 . 2]" 1
763 1 53 GLN QG 1 54 GLY H 5.000 . 6.000 1.937 1.851 2.135 . 0 0 "[ . 1 . 2]" 1
764 1 53 GLN QG 1 58 PRO HA 3.300 . 4.300 3.900 3.708 3.962 . 0 0 "[ . 1 . 2]" 1
765 1 53 GLN QG 1 60 PRO HA 5.000 . 6.000 4.671 4.463 4.838 . 0 0 "[ . 1 . 2]" 1
766 1 53 GLN H 1 54 GLY H 5.000 . 5.000 4.466 4.365 4.540 . 0 0 "[ . 1 . 2]" 1
767 1 53 GLN H 1 60 PRO HA 5.000 . 5.000 3.877 3.178 4.138 . 0 0 "[ . 1 . 2]" 1
768 1 54 GLY QA 1 55 VAL MG1 6.500 . 8.500 5.228 5.157 5.282 . 0 0 "[ . 1 . 2]" 1
769 1 54 GLY QA 1 55 VAL H 5.000 . 6.000 2.871 2.840 2.915 . 0 0 "[ . 1 . 2]" 1
770 1 54 GLY QA 1 56 TRP H 5.000 . 6.000 4.754 4.347 4.966 . 0 0 "[ . 1 . 2]" 1
771 1 54 GLY QA 1 58 PRO HA 5.000 . 6.000 4.912 4.457 5.192 . 0 0 "[ . 1 . 2]" 1
772 1 54 GLY H 1 55 VAL H 3.500 . 3.500 2.520 2.416 2.745 . 0 0 "[ . 1 . 2]" 1
773 1 54 GLY H 1 56 TRP H 5.000 . 5.000 4.601 4.181 4.944 . 0 0 "[ . 1 . 2]" 1
774 1 54 GLY H 1 57 GLY H 5.000 . 5.000 4.459 4.094 4.700 . 0 0 "[ . 1 . 2]" 1
775 1 54 GLY H 1 58 PRO HA 5.000 . 5.000 3.859 3.476 4.165 . 0 0 "[ . 1 . 2]" 1
776 1 54 GLY H 1 60 PRO HA 5.000 . 5.000 4.431 4.263 4.625 . 0 0 "[ . 1 . 2]" 1
777 1 55 VAL H 1 55 VAL HB 2.900 . 2.900 2.468 2.278 2.672 . 0 0 "[ . 1 . 2]" 1
778 1 55 VAL HB 1 56 TRP HD1 3.300 . 3.300 2.628 2.341 3.037 . 0 0 "[ . 1 . 2]" 1
779 1 55 VAL HB 1 56 TRP HE1 5.000 . 5.000 4.658 4.312 5.046 0.046 1 0 "[ . 1 . 2]" 1
780 1 55 VAL HB 1 56 TRP H 3.500 . 3.500 1.936 1.830 2.233 . 0 0 "[ . 1 . 2]" 1
781 1 55 VAL MG1 1 56 TRP HD1 6.500 . 7.500 1.941 1.804 2.181 . 0 0 "[ . 1 . 2]" 1
782 1 55 VAL MG1 1 56 TRP HE1 5.500 . 6.500 2.525 2.260 2.924 . 0 0 "[ . 1 . 2]" 1
783 1 55 VAL MG1 1 56 TRP H 5.500 . 6.500 3.085 2.693 3.431 . 0 0 "[ . 1 . 2]" 1
784 1 55 VAL MG1 1 60 PRO HA 5.500 . 6.500 5.449 5.408 5.505 . 0 0 "[ . 1 . 2]" 1
785 1 55 VAL H 1 55 VAL MG2 4.000 . 4.600 2.177 1.822 2.697 . 0 0 "[ . 1 . 2]" 1
786 1 55 VAL MG2 1 56 TRP HD1 6.500 . 7.500 3.927 3.732 4.109 . 0 0 "[ . 1 . 2]" 1
787 1 55 VAL MG2 1 56 TRP HE1 6.500 . 7.500 4.981 4.582 5.462 . 0 0 "[ . 1 . 2]" 1
788 1 55 VAL MG2 1 56 TRP H 5.500 . 6.500 3.478 3.242 3.696 . 0 0 "[ . 1 . 2]" 1
789 1 55 VAL H 1 56 TRP HB2 5.000 . 5.000 4.905 4.729 5.018 0.018 8 0 "[ . 1 . 2]" 1
790 1 55 VAL H 1 56 TRP HD1 5.000 . 5.000 4.907 4.595 5.031 0.031 16 0 "[ . 1 . 2]" 1
791 1 55 VAL H 1 56 TRP H 2.900 . 2.900 2.614 2.428 2.754 . 0 0 "[ . 1 . 2]" 1
792 1 55 VAL H 1 57 GLY H 3.500 . 3.500 3.506 3.317 3.545 0.045 17 0 "[ . 1 . 2]" 1
793 1 56 TRP HA 1 56 TRP HB3 2.700 . 2.700 2.545 2.494 2.610 . 0 0 "[ . 1 . 2]" 1
794 1 56 TRP H 1 56 TRP HB3 3.500 . 3.500 3.606 3.561 3.639 0.139 6 0 "[ . 1 . 2]" 1
795 1 56 TRP HB3 1 57 GLY H 3.500 . 3.500 3.536 3.499 3.567 0.067 10 0 "[ . 1 . 2]" 1
796 1 56 TRP HB2 1 56 TRP HE1 5.000 . 5.000 4.757 4.743 4.780 . 0 0 "[ . 1 . 2]" 1
797 1 56 TRP H 1 56 TRP HB2 3.500 . 3.500 2.346 2.280 2.406 . 0 0 "[ . 1 . 2]" 1
798 1 56 TRP HB2 1 57 GLY QA 5.000 . 6.000 4.066 3.937 4.224 . 0 0 "[ . 1 . 2]" 1
799 1 56 TRP HB2 1 57 GLY H 3.500 . 3.500 2.566 2.454 2.724 . 0 0 "[ . 1 . 2]" 1
800 1 56 TRP H 1 56 TRP HD1 3.500 . 3.500 2.940 2.695 3.281 . 0 0 "[ . 1 . 2]" 1
801 1 56 TRP H 1 57 GLY H 2.900 . 2.900 1.964 1.857 2.103 . 0 0 "[ . 1 . 2]" 1
802 1 57 GLY QA 1 58 PRO QD 3.300 . 5.300 1.934 1.925 1.943 . 0 0 "[ . 1 . 2]" 1
803 1 58 PRO HA 1 59 ILE QG 5.000 . 6.000 4.447 4.330 4.583 . 0 0 "[ . 1 . 2]" 1
804 1 58 PRO QD 1 59 ILE H 3.500 . 4.500 3.080 2.969 3.185 . 0 0 "[ . 1 . 2]" 1
805 1 58 PRO QG 1 59 ILE MD 5.500 . 7.500 4.468 4.331 4.575 . 0 0 "[ . 1 . 2]" 1
806 1 58 PRO QG 1 59 ILE QG 2.700 . 4.700 3.511 3.405 3.575 . 0 0 "[ . 1 . 2]" 1
807 1 59 ILE H 1 59 ILE HB 2.900 . 2.900 2.573 2.418 2.705 . 0 0 "[ . 1 . 2]" 1
808 1 59 ILE H 1 59 ILE MD 5.500 . 6.100 3.786 3.664 3.960 . 0 0 "[ . 1 . 2]" 1
809 1 59 ILE H 1 59 ILE QG 3.500 . 4.100 2.236 2.065 2.499 . 0 0 "[ . 1 . 2]" 1
810 1 59 ILE QG 1 60 PRO QD 5.000 . 7.000 3.798 3.701 3.877 . 0 0 "[ . 1 . 2]" 1
811 1 59 ILE MG 1 60 PRO QD 5.500 . 7.500 3.249 2.931 3.482 . 0 0 "[ . 1 . 2]" 1
812 1 59 ILE MG 1 60 PRO QG 5.500 . 7.500 4.633 4.395 4.849 . 0 0 "[ . 1 . 2]" 1
813 1 60 PRO HA 1 61 MET H 2.900 . 2.900 2.267 2.227 2.370 . 0 0 "[ . 1 . 2]" 1
814 1 60 PRO QB 1 61 MET H 3.500 . 4.500 3.183 2.828 3.405 . 0 0 "[ . 1 . 2]" 1
815 1 61 MET HA 1 61 MET HG3 3.300 . 3.300 2.896 2.525 3.325 0.025 8 0 "[ . 1 . 2]" 1
816 1 61 MET HA 1 62 PRO QD 2.700 . 3.700 1.849 1.824 1.879 . 0 0 "[ . 1 . 2]" 1
817 1 61 MET HA 1 62 PRO QG 5.000 . 6.000 3.790 3.775 3.808 . 0 0 "[ . 1 . 2]" 1
818 1 61 MET H 1 61 MET HB3 3.500 . 3.500 2.281 2.193 2.361 . 0 0 "[ . 1 . 2]" 1
819 1 61 MET HB3 1 62 PRO QD 5.000 . 6.000 4.025 3.969 4.089 . 0 0 "[ . 1 . 2]" 1
820 1 61 MET H 1 61 MET HB2 3.500 . 3.500 2.611 2.499 2.824 . 0 0 "[ . 1 . 2]" 1
821 1 61 MET HB2 1 62 PRO QD 5.000 . 6.000 3.652 3.585 3.750 . 0 0 "[ . 1 . 2]" 1
822 1 61 MET H 1 61 MET ME 5.500 . 6.100 4.073 3.404 5.058 . 0 0 "[ . 1 . 2]" 1
823 1 61 MET ME 1 64 ASN HD21 5.500 . 6.500 3.784 3.230 4.538 . 0 0 "[ . 1 . 2]" 1
824 1 61 MET ME 1 64 ASN HD22 5.500 . 6.500 3.746 3.002 4.341 . 0 0 "[ . 1 . 2]" 1
825 1 61 MET HG3 1 62 PRO QD 5.000 . 6.000 2.672 1.996 3.439 . 0 0 "[ . 1 . 2]" 1
826 1 61 MET HG3 1 64 ASN HD21 5.000 . 5.000 4.681 4.306 5.013 0.013 18 0 "[ . 1 . 2]" 1
827 1 61 MET HG3 1 64 ASN HD22 5.000 . 5.000 3.448 2.901 3.959 . 0 0 "[ . 1 . 2]" 1
828 1 61 MET HG2 1 62 PRO QD 5.000 . 6.000 2.496 1.822 3.246 . 0 0 "[ . 1 . 2]" 1
829 1 61 MET HG2 1 62 PRO QG 6.000 . 7.000 4.138 3.545 4.714 . 0 0 "[ . 1 . 2]" 1
830 1 61 MET HG2 1 64 ASN HD22 5.000 . 5.000 2.843 2.503 3.220 . 0 0 "[ . 1 . 2]" 1
831 1 61 MET H 1 61 MET HG3 5.000 . 5.000 4.504 4.432 4.576 . 0 0 "[ . 1 . 2]" 1
832 1 62 PRO HA 1 62 PRO QG 3.300 . 3.900 3.411 3.404 3.425 . 0 0 "[ . 1 . 2]" 1
833 1 62 PRO HA 1 63 PRO QD 2.700 . 3.700 1.894 1.879 1.914 . 0 0 "[ . 1 . 2]" 1
834 1 62 PRO HA 1 63 PRO QG 5.000 . 6.000 3.825 3.806 3.845 . 0 0 "[ . 1 . 2]" 1
835 1 62 PRO QB 1 63 PRO QD 3.300 . 5.300 2.856 2.745 2.974 . 0 0 "[ . 1 . 2]" 1
836 1 62 PRO QB 1 63 PRO QG 5.000 . 7.000 4.464 4.360 4.556 . 0 0 "[ . 1 . 2]" 1
837 1 63 PRO HA 1 64 ASN H 2.900 . 2.900 2.256 2.214 2.370 . 0 0 "[ . 1 . 2]" 1
838 1 63 PRO QB 1 63 PRO QD 3.300 . 4.500 3.049 3.043 3.052 . 0 0 "[ . 1 . 2]" 1
839 1 63 PRO QB 1 64 ASN HD22 5.000 . 6.000 5.394 5.076 5.456 . 0 0 "[ . 1 . 2]" 1
840 1 63 PRO QB 1 64 ASN H 5.000 . 6.000 3.228 2.936 3.346 . 0 0 "[ . 1 . 2]" 1
841 1 64 ASN HA 1 65 ALA HA 5.000 . 5.000 4.445 4.422 4.500 . 0 0 "[ . 1 . 2]" 1
842 1 64 ASN HA 1 65 ALA MB 5.500 . 6.500 3.940 3.881 3.993 . 0 0 "[ . 1 . 2]" 1
843 1 64 ASN HA 1 65 ALA H 2.900 . 2.900 2.467 2.390 2.646 . 0 0 "[ . 1 . 2]" 1
844 1 64 ASN HA 1 64 ASN HB3 2.700 . 2.700 2.459 2.389 2.548 . 0 0 "[ . 1 . 2]" 1
845 1 64 ASN HB3 1 65 ALA H 3.500 . 3.500 2.560 2.177 2.748 . 0 0 "[ . 1 . 2]" 1
846 1 64 ASN HB3 1 66 VAL MG1 5.500 . 6.500 2.438 2.191 2.629 . 0 0 "[ . 1 . 2]" 1
847 1 64 ASN HB3 1 66 VAL MG2 6.500 . 7.500 3.238 2.409 4.014 . 0 0 "[ . 1 . 2]" 1
848 1 64 ASN HB2 1 64 ASN HD21 3.300 . 3.300 2.477 2.414 2.564 . 0 0 "[ . 1 . 2]" 1
849 1 64 ASN H 1 64 ASN HB2 3.500 . 3.500 2.477 2.404 2.720 . 0 0 "[ . 1 . 2]" 1
850 1 64 ASN HB2 1 65 ALA H 5.000 . 5.000 3.571 3.197 3.818 . 0 0 "[ . 1 . 2]" 1
851 1 64 ASN HB2 1 66 VAL MG1 5.500 . 6.500 2.532 1.839 3.052 . 0 0 "[ . 1 . 2]" 1
852 1 64 ASN H 1 64 ASN HD21 5.000 . 5.000 1.994 1.845 2.520 . 0 0 "[ . 1 . 2]" 1
853 1 64 ASN H 1 65 ALA H 5.000 . 5.000 4.542 4.462 4.579 . 0 0 "[ . 1 . 2]" 1
854 1 64 ASN H 1 66 VAL MG2 5.500 . 6.500 3.689 3.441 4.353 . 0 0 "[ . 1 . 2]" 1
855 1 65 ALA HA 1 66 VAL H 2.900 . 2.900 2.925 2.775 2.975 0.075 3 0 "[ . 1 . 2]" 1
856 1 65 ALA H 1 65 ALA MB 3.400 . 4.000 2.160 1.992 2.353 . 0 0 "[ . 1 . 2]" 1
857 1 65 ALA MB 1 66 VAL HA 6.500 . 7.500 4.189 4.129 4.279 . 0 0 "[ . 1 . 2]" 1
858 1 65 ALA MB 1 66 VAL H 5.500 . 6.500 3.624 3.578 3.699 . 0 0 "[ . 1 . 2]" 1
859 1 65 ALA H 1 66 VAL MG1 5.500 . 6.500 3.402 2.981 3.624 . 0 0 "[ . 1 . 2]" 1
860 1 66 VAL HA 1 67 SER H 2.900 . 2.900 2.238 2.214 2.280 . 0 0 "[ . 1 . 2]" 1
861 1 66 VAL HB 1 70 GLU QB 3.300 . 4.300 2.251 1.852 2.991 . 0 0 "[ . 1 . 2]" 1
862 1 66 VAL HB 1 70 GLU H 5.000 . 5.000 4.663 4.350 4.983 . 0 0 "[ . 1 . 2]" 1
863 1 66 VAL HB 1 71 ALA HA 3.300 . 3.300 3.330 3.230 3.371 0.071 13 0 "[ . 1 . 2]" 1
864 1 66 VAL HB 1 71 ALA MB 6.500 . 7.500 3.074 2.738 3.418 . 0 0 "[ . 1 . 2]" 1
865 1 66 VAL HB 1 71 ALA H 3.500 . 3.500 3.129 2.713 3.396 . 0 0 "[ . 1 . 2]" 1
866 1 66 VAL MG1 1 67 SER H 5.500 . 6.500 4.160 4.065 4.303 . 0 0 "[ . 1 . 2]" 1
867 1 66 VAL MG1 1 70 GLU QB 6.500 . 8.500 3.167 2.759 4.099 . 0 0 "[ . 1 . 2]" 1
868 1 66 VAL MG1 1 71 ALA HA 6.500 . 7.500 3.970 3.800 4.093 . 0 0 "[ . 1 . 2]" 1
869 1 66 VAL H 1 66 VAL MG2 4.000 . 4.600 1.858 1.805 2.008 . 0 0 "[ . 1 . 2]" 1
870 1 66 VAL MG2 1 67 SER H 5.500 . 6.500 4.134 3.976 4.200 . 0 0 "[ . 1 . 2]" 1
871 1 66 VAL MG2 1 71 ALA HA 5.500 . 6.500 3.035 2.672 3.385 . 0 0 "[ . 1 . 2]" 1
872 1 66 VAL MG2 1 71 ALA MB 6.000 . 8.000 1.945 1.700 2.201 . 0 0 "[ . 1 . 2]" 1
873 1 66 VAL MG2 1 71 ALA H 5.500 . 6.500 3.343 2.584 3.747 . 0 0 "[ . 1 . 2]" 1
874 1 67 SER HA 1 68 ASP QB 5.500 . 6.500 4.362 4.185 4.865 . 0 0 "[ . 1 . 2]" 1
875 1 67 SER HA 1 68 ASP H 2.900 . 2.900 2.508 2.302 2.711 . 0 0 "[ . 1 . 2]" 1
876 1 67 SER H 1 67 SER QB 3.500 . 4.100 2.224 1.959 2.724 . 0 0 "[ . 1 . 2]" 1
877 1 67 SER QB 1 68 ASP H 2.900 . 3.900 2.759 2.079 3.498 . 0 0 "[ . 1 . 2]" 1
878 1 67 SER QB 1 70 GLU QG 3.300 . 5.300 2.784 1.748 3.870 . 0 0 "[ . 1 . 2]" 1
879 1 67 SER QB 1 70 GLU H 3.500 . 4.500 2.806 2.379 3.593 . 0 0 "[ . 1 . 2]" 1
880 1 67 SER H 1 70 GLU QB 2.900 . 3.900 2.622 2.315 2.990 . 0 0 "[ . 1 . 2]" 1
881 1 67 SER H 1 70 GLU H 5.000 . 5.000 4.181 3.993 4.510 . 0 0 "[ . 1 . 2]" 1
882 1 68 ASP HA 1 71 ALA MB 5.500 . 6.500 2.986 2.761 3.258 . 0 0 "[ . 1 . 2]" 1
883 1 68 ASP HA 1 71 ALA H 3.500 . 3.500 3.561 3.535 3.613 0.113 11 0 "[ . 1 . 2]" 1
884 1 68 ASP H 1 69 ASP H 3.500 . 3.500 2.903 2.532 3.172 . 0 0 "[ . 1 . 2]" 1
885 1 69 ASP HA 1 70 GLU H 5.000 . 5.000 3.524 3.434 3.579 . 0 0 "[ . 1 . 2]" 1
886 1 69 ASP HA 1 72 GLN QB 6.500 . 7.500 2.329 2.079 2.536 . 0 0 "[ . 1 . 2]" 1
887 1 69 ASP HA 1 72 GLN H 3.500 . 3.500 3.500 3.428 3.538 0.038 13 0 "[ . 1 . 2]" 1
888 1 69 ASP H 1 70 GLU H 2.900 . 2.900 2.714 2.567 2.892 . 0 0 "[ . 1 . 2]" 1
889 1 70 GLU HA 1 71 ALA H 3.500 . 3.500 3.570 3.548 3.583 0.083 10 0 "[ . 1 . 2]" 1
890 1 70 GLU HA 1 73 THR H 3.500 . 3.500 3.520 3.445 3.547 0.047 7 0 "[ . 1 . 2]" 1
891 1 70 GLU H 1 70 GLU QB 2.900 . 3.500 2.127 1.931 2.433 . 0 0 "[ . 1 . 2]" 1
892 1 70 GLU QB 1 71 ALA HA 5.000 . 6.000 3.938 3.810 4.354 . 0 0 "[ . 1 . 2]" 1
893 1 70 GLU QB 1 71 ALA H 3.500 . 4.500 2.494 2.348 2.736 . 0 0 "[ . 1 . 2]" 1
894 1 70 GLU QB 1 74 LEU QD 6.000 . 9.400 2.721 2.291 3.819 . 0 0 "[ . 1 . 2]" 1
895 1 70 GLU H 1 70 GLU QG 3.500 . 4.100 2.767 1.851 3.848 . 0 0 "[ . 1 . 2]" 1
896 1 70 GLU H 1 71 ALA H 2.900 . 2.900 2.645 2.449 2.773 . 0 0 "[ . 1 . 2]" 1
897 1 71 ALA H 1 71 ALA HA 2.900 . 2.900 2.894 2.870 2.920 0.020 15 0 "[ . 1 . 2]" 1
898 1 71 ALA HA 1 72 GLN H 3.500 . 3.500 3.472 3.443 3.506 0.006 15 0 "[ . 1 . 2]" 1
899 1 71 ALA HA 1 74 LEU HB3 3.300 . 3.300 3.388 3.357 3.409 0.109 11 0 "[ . 1 . 2]" 1
900 1 71 ALA HA 1 74 LEU HB2 5.000 . 5.000 1.993 1.911 2.072 . 0 0 "[ . 1 . 2]" 1
901 1 71 ALA HA 1 74 LEU QD 5.000 . 7.400 1.968 1.767 2.488 . 0 0 "[ . 1 . 2]" 1
902 1 71 ALA HA 1 74 LEU H 3.500 . 3.500 3.203 3.092 3.361 . 0 0 "[ . 1 . 2]" 1
903 1 71 ALA HA 1 75 ALA H 5.000 . 5.000 4.055 3.823 4.214 . 0 0 "[ . 1 . 2]" 1
904 1 71 ALA MB 1 72 GLN H 4.000 . 5.000 2.902 2.811 3.009 . 0 0 "[ . 1 . 2]" 1
905 1 71 ALA H 1 72 GLN H 2.900 . 2.900 2.518 2.411 2.607 . 0 0 "[ . 1 . 2]" 1
906 1 72 GLN HA 1 72 GLN QG 3.300 . 3.900 2.155 1.938 2.620 . 0 0 "[ . 1 . 2]" 1
907 1 72 GLN H 1 72 GLN HA 2.900 . 2.900 2.905 2.890 2.917 0.017 9 0 "[ . 1 . 2]" 1
908 1 72 GLN HA 1 73 THR H 3.500 . 3.500 3.553 3.536 3.567 0.067 18 0 "[ . 1 . 2]" 1
909 1 72 GLN HA 1 75 ALA MB 5.500 . 6.500 2.840 2.444 3.083 . 0 0 "[ . 1 . 2]" 1
910 1 72 GLN HA 1 75 ALA H 3.500 . 3.500 3.449 3.333 3.534 0.034 6 0 "[ . 1 . 2]" 1
911 1 72 GLN QB 1 73 THR HA 6.500 . 7.500 4.009 3.835 4.498 . 0 0 "[ . 1 . 2]" 1
912 1 72 GLN QB 1 73 THR H 4.000 . 5.000 2.496 2.293 2.603 . 0 0 "[ . 1 . 2]" 1
913 1 72 GLN H 1 72 GLN QG 3.500 . 4.100 3.301 2.621 3.794 . 0 0 "[ . 1 . 2]" 1
914 1 72 GLN QG 1 75 ALA MB 6.500 . 8.500 4.035 3.715 4.371 . 0 0 "[ . 1 . 2]" 1
915 1 72 GLN QG 1 75 ALA H 5.000 . 6.000 5.076 4.617 5.312 . 0 0 "[ . 1 . 2]" 1
916 1 72 GLN H 1 73 THR H 2.900 . 2.900 2.516 2.447 2.578 . 0 0 "[ . 1 . 2]" 1
917 1 72 GLN H 1 74 LEU H 3.500 . 3.500 3.556 3.520 3.586 0.086 19 0 "[ . 1 . 2]" 1
918 1 73 THR H 1 73 THR HA 2.900 . 2.900 2.902 2.879 2.919 0.019 7 0 "[ . 1 . 2]" 1
919 1 73 THR HA 1 74 LEU H 5.000 . 5.000 3.486 3.464 3.501 . 0 0 "[ . 1 . 2]" 1
920 1 73 THR HA 1 76 LYS QB 6.500 . 7.500 2.897 2.470 3.839 . 0 0 "[ . 1 . 2]" 1
921 1 73 THR HA 1 76 LYS QD 6.500 . 7.500 3.725 2.040 4.909 . 0 0 "[ . 1 . 2]" 1
922 1 73 THR HA 1 76 LYS QE 6.500 . 7.500 4.517 2.033 6.509 . 0 0 "[ . 1 . 2]" 1
923 1 73 THR HA 1 76 LYS QG 5.000 . 6.000 3.453 1.734 4.571 . 0 0 "[ . 1 . 2]" 1
924 1 73 THR HA 1 76 LYS H 3.500 . 3.500 3.504 3.418 3.538 0.038 14 0 "[ . 1 . 2]" 1
925 1 73 THR H 1 73 THR HB 2.900 . 2.900 2.584 2.193 2.882 . 0 0 "[ . 1 . 2]" 1
926 1 73 THR HB 1 74 LEU H 2.900 . 2.900 2.904 2.777 2.929 0.029 12 0 "[ . 1 . 2]" 1
927 1 73 THR MG 1 74 LEU H 5.500 . 6.500 3.920 3.472 4.149 . 0 0 "[ . 1 . 2]" 1
928 1 73 THR H 1 74 LEU H 2.900 . 2.900 2.438 2.377 2.514 . 0 0 "[ . 1 . 2]" 1
929 1 74 LEU HA 1 74 LEU QD 3.300 . 5.300 2.040 1.839 2.277 . 0 0 "[ . 1 . 2]" 1
930 1 74 LEU HA 1 74 LEU HG 3.300 . 3.300 2.745 2.592 2.921 . 0 0 "[ . 1 . 2]" 1
931 1 74 LEU H 1 74 LEU HA 2.900 . 2.900 2.903 2.879 2.921 0.021 14 0 "[ . 1 . 2]" 1
932 1 74 LEU HA 1 75 ALA H 5.000 . 5.000 3.547 3.495 3.579 . 0 0 "[ . 1 . 2]" 1
933 1 74 LEU HA 1 77 TRP HB3 5.000 . 5.000 2.350 2.090 2.520 . 0 0 "[ . 1 . 2]" 1
934 1 74 LEU HA 1 77 TRP HE3 3.300 . 3.300 3.122 2.749 3.326 0.026 20 0 "[ . 1 . 2]" 1
935 1 74 LEU HA 1 77 TRP H 3.500 . 3.500 3.479 3.373 3.532 0.032 14 0 "[ . 1 . 2]" 1
936 1 74 LEU HA 1 78 ILE MD 6.500 . 7.500 3.886 3.384 4.576 . 0 0 "[ . 1 . 2]" 1
937 1 74 LEU H 1 74 LEU HB3 3.500 . 3.500 3.499 3.459 3.524 0.024 17 0 "[ . 1 . 2]" 1
938 1 74 LEU H 1 74 LEU HB2 2.900 . 2.900 2.205 2.109 2.314 . 0 0 "[ . 1 . 2]" 1
939 1 74 LEU HB2 1 75 ALA H 3.500 . 3.500 2.677 2.506 2.850 . 0 0 "[ . 1 . 2]" 1
940 1 74 LEU HB2 1 78 ILE MD 6.500 . 7.500 4.145 3.859 4.720 . 0 0 "[ . 1 . 2]" 1
941 1 74 LEU QD 1 77 TRP HB3 5.000 . 7.400 3.487 3.206 3.796 . 0 0 "[ . 1 . 2]" 1
942 1 74 LEU QD 1 77 TRP HZ3 6.000 . 8.400 3.660 3.237 4.034 . 0 0 "[ . 1 . 2]" 1
943 1 74 LEU QD 1 78 ILE QG 5.000 . 8.400 4.171 3.583 4.697 . 0 0 "[ . 1 . 2]" 1
944 1 74 LEU H 1 74 LEU HG 2.900 . 2.900 2.466 2.214 2.737 . 0 0 "[ . 1 . 2]" 1
945 1 74 LEU H 1 75 ALA H 2.900 . 2.900 2.519 2.369 2.654 . 0 0 "[ . 1 . 2]" 1
946 1 74 LEU H 1 77 TRP HB2 5.000 . 5.000 4.971 4.855 5.030 0.030 10 0 "[ . 1 . 2]" 1
947 1 75 ALA H 1 75 ALA HA 2.900 . 2.900 2.891 2.853 2.910 0.010 14 0 "[ . 1 . 2]" 1
948 1 75 ALA HA 1 78 ILE HB 3.300 . 3.300 3.106 2.869 3.314 0.014 18 0 "[ . 1 . 2]" 1
949 1 75 ALA HA 1 78 ILE MD 5.500 . 6.500 1.977 1.807 2.586 . 0 0 "[ . 1 . 2]" 1
950 1 75 ALA HA 1 78 ILE H 3.500 . 3.500 3.482 3.373 3.538 0.038 1 0 "[ . 1 . 2]" 1
951 1 75 ALA H 1 75 ALA MB 3.400 . 4.000 2.056 1.920 2.157 . 0 0 "[ . 1 . 2]" 1
952 1 75 ALA MB 1 76 LYS H 4.000 . 5.000 2.323 2.159 2.465 . 0 0 "[ . 1 . 2]" 1
953 1 75 ALA H 1 76 LYS H 2.900 . 2.900 2.672 2.543 2.827 . 0 0 "[ . 1 . 2]" 1
954 1 75 ALA H 1 77 TRP H 5.000 . 5.000 3.694 3.571 3.812 . 0 0 "[ . 1 . 2]" 1
955 1 76 LYS HA 1 76 LYS QG 3.300 . 3.900 2.448 1.920 3.388 . 0 0 "[ . 1 . 2]" 1
956 1 76 LYS H 1 76 LYS HA 2.900 . 2.900 2.872 2.847 2.899 . 0 0 "[ . 1 . 2]" 1
957 1 76 LYS HA 1 77 TRP H 5.000 . 5.000 3.490 3.461 3.525 . 0 0 "[ . 1 . 2]" 1
958 1 76 LYS HA 1 79 LEU QB 3.300 . 4.300 2.797 2.437 3.067 . 0 0 "[ . 1 . 2]" 1
959 1 76 LYS HA 1 79 LEU QD 5.000 . 7.400 2.953 2.249 3.593 . 0 0 "[ . 1 . 2]" 1
960 1 76 LYS HA 1 79 LEU H 5.000 . 5.000 3.618 3.305 3.904 . 0 0 "[ . 1 . 2]" 1
961 1 76 LYS QB 1 77 TRP H 4.000 . 5.000 3.023 2.766 3.601 . 0 0 "[ . 1 . 2]" 1
962 1 76 LYS H 1 76 LYS QG 2.900 . 3.500 2.495 1.864 3.172 . 0 0 "[ . 1 . 2]" 1
963 1 76 LYS H 1 77 TRP H 2.900 . 2.900 2.574 2.473 2.650 . 0 0 "[ . 1 . 2]" 1
964 1 77 TRP HA 1 77 TRP HE3 5.000 . 5.000 5.007 4.839 5.103 0.103 13 0 "[ . 1 . 2]" 1
965 1 77 TRP HA 1 80 SER QB 3.300 . 4.300 2.430 1.952 3.346 . 0 0 "[ . 1 . 2]" 1
966 1 77 TRP HB3 1 77 TRP HE3 3.300 . 3.300 2.464 2.430 2.506 . 0 0 "[ . 1 . 2]" 1
967 1 77 TRP H 1 77 TRP HB3 2.900 . 2.900 2.294 2.227 2.419 . 0 0 "[ . 1 . 2]" 1
968 1 77 TRP HB3 1 78 ILE MD 5.500 . 6.500 3.792 3.051 4.473 . 0 0 "[ . 1 . 2]" 1
969 1 77 TRP HB3 1 78 ILE QG 5.000 . 6.000 3.322 2.901 3.800 . 0 0 "[ . 1 . 2]" 1
970 1 77 TRP HB3 1 78 ILE H 3.500 . 3.500 2.508 2.241 2.911 . 0 0 "[ . 1 . 2]" 1
971 1 77 TRP H 1 77 TRP HB2 2.900 . 2.900 2.592 2.419 2.689 . 0 0 "[ . 1 . 2]" 1
972 1 77 TRP HB2 1 78 ILE H 5.000 . 5.000 3.880 3.718 4.114 . 0 0 "[ . 1 . 2]" 1
973 1 77 TRP HD1 1 80 SER QB 5.000 . 6.000 3.998 3.285 5.315 . 0 0 "[ . 1 . 2]" 1
974 1 77 TRP HD1 1 81 GLN HE21 5.000 . 5.000 3.875 2.826 5.025 0.025 14 0 "[ . 1 . 2]" 1
975 1 77 TRP HE1 1 81 GLN HE21 5.000 . 5.000 3.145 2.492 3.799 . 0 0 "[ . 1 . 2]" 1
976 1 77 TRP HE1 1 81 GLN HE22 5.000 . 5.000 2.399 1.866 4.324 . 0 0 "[ . 1 . 2]" 1
977 1 77 TRP HE3 1 78 ILE QG 5.000 . 6.000 2.318 1.877 2.801 . 0 0 "[ . 1 . 2]" 1
978 1 77 TRP HE3 1 78 ILE H 3.500 . 3.500 3.425 3.173 3.550 0.050 2 0 "[ . 1 . 2]" 1
979 1 77 TRP H 1 77 TRP HD1 5.000 . 5.000 4.909 4.752 5.022 0.022 2 0 "[ . 1 . 2]" 1
980 1 77 TRP H 1 78 ILE H 2.900 . 2.900 2.596 2.440 2.814 . 0 0 "[ . 1 . 2]" 1
981 1 77 TRP HZ2 1 81 GLN HE21 5.000 . 5.000 4.129 3.169 4.915 . 0 0 "[ . 1 . 2]" 1
982 1 77 TRP HZ2 1 81 GLN HE22 5.000 . 5.000 3.474 2.490 4.332 . 0 0 "[ . 1 . 2]" 1
983 1 78 ILE HA 1 78 ILE QG 3.300 . 3.900 2.359 2.153 2.490 . 0 0 "[ . 1 . 2]" 1
984 1 78 ILE HA 1 79 LEU H 5.000 . 5.000 3.580 3.561 3.595 . 0 0 "[ . 1 . 2]" 1
985 1 78 ILE HA 1 81 GLN QB 3.300 . 4.300 3.574 3.003 3.929 . 0 0 "[ . 1 . 2]" 1
986 1 78 ILE HA 1 81 GLN QG 3.300 . 4.300 2.534 1.825 3.753 . 0 0 "[ . 1 . 2]" 1
987 1 78 ILE HA 1 81 GLN H 3.500 . 3.500 3.546 3.483 3.579 0.079 7 0 "[ . 1 . 2]" 1
988 1 78 ILE H 1 78 ILE HB 2.900 . 2.900 2.329 2.181 2.491 . 0 0 "[ . 1 . 2]" 1
989 1 78 ILE HB 1 79 LEU H 2.900 . 2.900 2.368 2.196 2.592 . 0 0 "[ . 1 . 2]" 1
990 1 78 ILE H 1 78 ILE MD 5.500 . 6.100 2.808 2.214 3.362 . 0 0 "[ . 1 . 2]" 1
991 1 78 ILE H 1 78 ILE QG 2.900 . 3.500 2.326 1.932 2.790 . 0 0 "[ . 1 . 2]" 1
992 1 78 ILE QG 1 81 GLN QG 5.000 . 7.000 4.099 3.557 5.150 . 0 0 "[ . 1 . 2]" 1
993 1 78 ILE MG 1 79 LEU HA 6.500 . 7.500 3.413 3.098 3.664 . 0 0 "[ . 1 . 2]" 1
994 1 78 ILE MG 1 79 LEU H 5.500 . 6.500 3.109 2.649 3.490 . 0 0 "[ . 1 . 2]" 1
995 1 78 ILE H 1 79 LEU H 3.500 . 3.500 2.754 2.534 2.894 . 0 0 "[ . 1 . 2]" 1
996 1 78 ILE H 1 80 SER H 5.000 . 5.000 3.782 3.672 3.919 . 0 0 "[ . 1 . 2]" 1
997 1 79 LEU HA 1 79 LEU QD 3.300 . 5.300 2.825 2.490 3.004 . 0 0 "[ . 1 . 2]" 1
998 1 79 LEU HA 1 79 LEU HG 3.300 . 3.300 2.178 2.022 2.437 . 0 0 "[ . 1 . 2]" 1
999 1 79 LEU HA 1 80 SER H 3.500 . 3.500 3.447 3.400 3.557 0.057 2 0 "[ . 1 . 2]" 1
1000 1 79 LEU HA 1 81 GLN H 5.000 . 5.000 4.118 3.868 4.931 . 0 0 "[ . 1 . 2]" 1
1001 1 79 LEU H 1 79 LEU QB 2.900 . 3.500 2.132 2.010 2.260 . 0 0 "[ . 1 . 2]" 1
1002 1 79 LEU QB 1 80 SER HA 5.000 . 6.000 4.073 3.913 4.195 . 0 0 "[ . 1 . 2]" 1
1003 1 79 LEU QB 1 80 SER H 2.900 . 3.900 3.007 2.611 3.165 . 0 0 "[ . 1 . 2]" 1
1004 1 79 LEU H 1 79 LEU HG 3.500 . 3.500 2.991 2.506 3.349 . 0 0 "[ . 1 . 2]" 1
1005 1 79 LEU H 1 80 SER H 2.900 . 2.900 2.582 2.457 2.884 . 0 0 "[ . 1 . 2]" 1
1006 1 80 SER H 1 80 SER QB 3.500 . 4.100 2.176 1.944 2.624 . 0 0 "[ . 1 . 2]" 1
1007 1 80 SER QB 1 81 GLN QG 5.000 . 7.000 4.504 3.635 5.503 . 0 0 "[ . 1 . 2]" 1
1008 1 81 GLN HA 1 81 GLN HE21 5.000 . 5.000 2.714 1.887 4.588 . 0 0 "[ . 1 . 2]" 1
1009 1 81 GLN H 1 81 GLN QB 2.900 . 3.500 2.294 1.948 2.754 . 0 0 "[ . 1 . 2]" 1
1010 1 81 GLN QB 1 82 LYS QB 3.300 . 5.300 3.757 3.049 4.301 . 0 0 "[ . 1 . 2]" 1
1011 1 81 GLN H 1 81 GLN HE21 5.000 . 5.000 3.777 2.555 4.828 . 0 0 "[ . 1 . 2]" 1
1012 1 81 GLN H 1 81 GLN HE22 5.000 . 5.000 4.629 3.273 5.079 0.079 17 0 "[ . 1 . 2]" 1
1013 1 81 GLN H 1 81 GLN QG 3.500 . 4.100 2.496 1.808 3.748 . 0 0 "[ . 1 . 2]" 1
1014 1 82 LYS H 1 82 LYS QB 3.500 . 4.100 2.768 2.043 3.225 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 165
_Distance_constraint_stats_list.Viol_total 117.352
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0186
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0356
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 0.011 0.011 7 0 "[ . 1 . 2]"
1 4 GLU 0.728 0.079 14 0 "[ . 1 . 2]"
1 5 VAL 0.159 0.040 12 0 "[ . 1 . 2]"
1 6 LEU 0.211 0.044 6 0 "[ . 1 . 2]"
1 7 ALA 0.011 0.011 7 0 "[ . 1 . 2]"
1 8 LYS 0.728 0.079 14 0 "[ . 1 . 2]"
1 9 ASN 0.159 0.040 12 0 "[ . 1 . 2]"
1 10 LYS 0.211 0.044 6 0 "[ . 1 . 2]"
1 27 TYR 0.783 0.065 9 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.323 0.064 4 0 "[ . 1 . 2]"
1 31 ALA 0.783 0.065 9 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.323 0.064 4 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.058 0.017 11 0 "[ . 1 . 2]"
1 42 ALA 0.609 0.057 6 0 "[ . 1 . 2]"
1 43 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.149 0.034 2 0 "[ . 1 . 2]"
1 45 ALA 0.481 0.063 3 0 "[ . 1 . 2]"
1 46 GLN 0.609 0.057 6 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.149 0.034 2 0 "[ . 1 . 2]"
1 49 LYS 0.423 0.063 3 0 "[ . 1 . 2]"
1 52 SER 1.977 0.142 13 0 "[ . 1 . 2]"
1 61 MET 1.977 0.142 13 0 "[ . 1 . 2]"
1 68 ASP 0.034 0.025 19 0 "[ . 1 . 2]"
1 69 ASP 0.152 0.030 19 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLN 0.034 0.025 19 0 "[ . 1 . 2]"
1 73 THR 0.176 0.030 19 0 "[ . 1 . 2]"
1 74 LEU 0.027 0.013 14 0 "[ . 1 . 2]"
1 75 ALA 0.199 0.028 8 0 "[ . 1 . 2]"
1 76 LYS 0.001 0.001 16 0 "[ . 1 . 2]"
1 77 TRP 0.023 0.023 14 0 "[ . 1 . 2]"
1 78 ILE 0.027 0.013 14 0 "[ . 1 . 2]"
1 79 LEU 0.199 0.028 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO O 1 7 ALA H 2.000 . 2.300 2.139 2.078 2.311 0.011 7 0 "[ . 1 . 2]" 2
2 1 3 PRO O 1 7 ALA N 3.000 2.700 3.300 2.926 2.779 3.195 . 0 0 "[ . 1 . 2]" 2
3 1 4 GLU O 1 8 LYS H 2.000 . 2.300 2.330 2.175 2.379 0.079 14 0 "[ . 1 . 2]" 2
4 1 4 GLU O 1 8 LYS N 3.000 2.700 3.300 3.165 3.003 3.300 0.000 3 0 "[ . 1 . 2]" 2
5 1 5 VAL O 1 9 ASN H 2.000 . 2.300 2.233 2.087 2.340 0.040 12 0 "[ . 1 . 2]" 2
6 1 5 VAL O 1 9 ASN N 3.000 2.700 3.300 3.184 3.007 3.305 0.005 12 0 "[ . 1 . 2]" 2
7 1 6 LEU O 1 10 LYS H 2.000 . 2.300 2.254 2.098 2.344 0.044 6 0 "[ . 1 . 2]" 2
8 1 6 LEU O 1 10 LYS N 3.000 2.700 3.300 3.076 2.866 3.260 . 0 0 "[ . 1 . 2]" 2
9 1 27 TYR O 1 31 ALA H 2.000 . 2.300 2.339 2.296 2.365 0.065 9 0 "[ . 1 . 2]" 2
10 1 27 TYR O 1 31 ALA N 3.000 2.700 3.300 3.234 3.179 3.288 . 0 0 "[ . 1 . 2]" 2
11 1 28 LYS O 1 32 ALA H 2.000 . 2.300 2.177 2.079 2.280 . 0 0 "[ . 1 . 2]" 2
12 1 28 LYS O 1 32 ALA N 3.000 2.700 3.300 2.997 2.815 3.107 . 0 0 "[ . 1 . 2]" 2
13 1 29 ASP O 1 33 LYS H 2.000 . 2.300 2.288 2.136 2.364 0.064 4 0 "[ . 1 . 2]" 2
14 1 29 ASP O 1 33 LYS N 3.000 2.700 3.300 3.123 3.008 3.216 . 0 0 "[ . 1 . 2]" 2
15 1 40 ALA O 1 44 LEU H 2.000 . 2.300 2.092 2.041 2.161 . 0 0 "[ . 1 . 2]" 2
16 1 40 ALA O 1 44 LEU N 3.000 2.700 3.300 2.896 2.767 3.012 . 0 0 "[ . 1 . 2]" 2
17 1 41 GLU O 1 45 ALA H 2.000 . 2.300 2.197 2.096 2.317 0.017 11 0 "[ . 1 . 2]" 2
18 1 41 GLU O 1 45 ALA N 3.000 2.700 3.300 2.930 2.808 3.101 . 0 0 "[ . 1 . 2]" 2
19 1 42 ALA O 1 46 GLN H 2.000 . 2.300 2.327 2.233 2.357 0.057 6 0 "[ . 1 . 2]" 2
20 1 42 ALA O 1 46 GLN N 3.000 2.700 3.300 3.194 3.109 3.268 . 0 0 "[ . 1 . 2]" 2
21 1 43 TYR O 1 47 ARG H 2.000 . 2.300 2.089 2.061 2.139 . 0 0 "[ . 1 . 2]" 2
22 1 43 TYR O 1 47 ARG N 3.000 2.700 3.300 2.963 2.877 3.069 . 0 0 "[ . 1 . 2]" 2
23 1 44 LEU O 1 48 ILE H 2.000 . 2.300 2.253 2.097 2.334 0.034 2 0 "[ . 1 . 2]" 2
24 1 44 LEU O 1 48 ILE N 3.000 2.700 3.300 2.922 2.757 3.051 . 0 0 "[ . 1 . 2]" 2
25 1 45 ALA O 1 49 LYS H 2.000 . 2.300 2.317 2.233 2.363 0.063 3 0 "[ . 1 . 2]" 2
26 1 45 ALA O 1 49 LYS N 3.000 2.700 3.300 3.152 3.038 3.249 . 0 0 "[ . 1 . 2]" 2
27 1 52 SER H 1 61 MET O 2.000 . 2.300 2.399 2.363 2.442 0.142 13 0 "[ . 1 . 2]" 2
28 1 52 SER N 1 61 MET O 3.000 2.700 3.300 2.876 2.750 3.054 . 0 0 "[ . 1 . 2]" 2
29 1 52 SER O 1 61 MET H 2.000 . 2.300 2.101 2.064 2.177 . 0 0 "[ . 1 . 2]" 2
30 1 52 SER O 1 61 MET N 3.000 2.700 3.300 2.949 2.910 3.017 . 0 0 "[ . 1 . 2]" 2
31 1 68 ASP O 1 72 GLN H 2.000 . 2.300 2.200 2.097 2.325 0.025 19 0 "[ . 1 . 2]" 2
32 1 68 ASP O 1 72 GLN N 3.000 2.700 3.300 2.979 2.766 3.177 . 0 0 "[ . 1 . 2]" 2
33 1 69 ASP O 1 73 THR H 2.000 . 2.300 2.260 2.121 2.330 0.030 19 0 "[ . 1 . 2]" 2
34 1 69 ASP O 1 73 THR N 3.000 2.700 3.300 3.181 3.054 3.256 . 0 0 "[ . 1 . 2]" 2
35 1 70 GLU O 1 74 LEU H 2.000 . 2.300 2.139 2.087 2.292 . 0 0 "[ . 1 . 2]" 2
36 1 70 GLU O 1 74 LEU N 3.000 2.700 3.300 2.939 2.836 3.065 . 0 0 "[ . 1 . 2]" 2
37 1 71 ALA O 1 75 ALA H 2.000 . 2.300 2.146 2.089 2.280 . 0 0 "[ . 1 . 2]" 2
38 1 71 ALA O 1 75 ALA N 3.000 2.700 3.300 2.988 2.841 3.138 . 0 0 "[ . 1 . 2]" 2
39 1 72 GLN O 1 76 LYS H 2.000 . 2.300 2.197 2.125 2.301 0.001 16 0 "[ . 1 . 2]" 2
40 1 72 GLN O 1 76 LYS N 3.000 2.700 3.300 3.170 3.078 3.267 . 0 0 "[ . 1 . 2]" 2
41 1 73 THR O 1 77 TRP H 2.000 . 2.300 2.172 2.093 2.323 0.023 14 0 "[ . 1 . 2]" 2
42 1 73 THR O 1 77 TRP N 3.000 2.700 3.300 2.888 2.790 3.113 . 0 0 "[ . 1 . 2]" 2
43 1 74 LEU O 1 78 ILE H 2.000 . 2.300 2.190 2.066 2.313 0.013 14 0 "[ . 1 . 2]" 2
44 1 74 LEU O 1 78 ILE N 3.000 2.700 3.300 3.078 2.954 3.269 . 0 0 "[ . 1 . 2]" 2
45 1 75 ALA O 1 79 LEU H 2.000 . 2.300 2.269 2.106 2.328 0.028 8 0 "[ . 1 . 2]" 2
46 1 75 ALA O 1 79 LEU N 3.000 2.700 3.300 3.236 3.072 3.304 0.004 1 0 "[ . 1 . 2]" 2
stop_
save_
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