NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408112 |
1yse   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yse
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 989
_Distance_constraint_stats_list.Viol_count 257
_Distance_constraint_stats_list.Viol_total 15.654
_Distance_constraint_stats_list.Viol_max 0.037
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0030
_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 21 GLU 0.002 0.002 17 0 "[ . 1 . 2]"
1 22 VAL 0.028 0.007 19 0 "[ . 1 . 2]"
1 23 SER 0.003 0.003 17 0 "[ . 1 . 2]"
1 24 SER 0.008 0.003 17 0 "[ . 1 . 2]"
1 25 GLU 0.007 0.002 5 0 "[ . 1 . 2]"
1 26 ILE 0.037 0.006 11 0 "[ . 1 . 2]"
1 27 TYR 0.016 0.006 5 0 "[ . 1 . 2]"
1 28 GLN 0.014 0.008 20 0 "[ . 1 . 2]"
1 29 TRP 0.020 0.003 2 0 "[ . 1 . 2]"
1 30 VAL 0.016 0.004 7 0 "[ . 1 . 2]"
1 31 ARG 0.003 0.003 7 0 "[ . 1 . 2]"
1 32 ASP 0.008 0.008 20 0 "[ . 1 . 2]"
1 33 GLU 0.015 0.006 7 0 "[ . 1 . 2]"
1 34 LEU 0.010 0.003 7 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.006 0.003 2 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.013 0.003 10 0 "[ . 1 . 2]"
1 40 SER 0.018 0.004 11 0 "[ . 1 . 2]"
1 41 GLN 0.005 0.002 3 0 "[ . 1 . 2]"
1 42 ALA 0.007 0.007 3 0 "[ . 1 . 2]"
1 43 VAL 0.021 0.004 11 0 "[ . 1 . 2]"
1 44 PHE 0.005 0.003 7 0 "[ . 1 . 2]"
1 45 ALA 0.008 0.003 10 0 "[ . 1 . 2]"
1 46 ARG 0.003 0.002 5 0 "[ . 1 . 2]"
1 47 VAL 0.006 0.005 1 0 "[ . 1 . 2]"
1 48 ALA 0.016 0.003 7 0 "[ . 1 . 2]"
1 49 PHE 0.057 0.007 1 0 "[ . 1 . 2]"
1 50 ASN 0.003 0.003 7 0 "[ . 1 . 2]"
1 51 ARG 0.006 0.006 2 0 "[ . 1 . 2]"
1 52 THR 0.018 0.006 2 0 "[ . 1 . 2]"
1 53 GLN 0.015 0.007 3 0 "[ . 1 . 2]"
1 55 LEU 0.016 0.004 6 0 "[ . 1 . 2]"
1 56 LEU 0.046 0.007 1 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.014 0.004 3 0 "[ . 1 . 2]"
1 60 LEU 0.019 0.006 5 0 "[ . 1 . 2]"
1 61 ARG 0.001 0.001 5 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.013 0.004 17 0 "[ . 1 . 2]"
1 65 ASP 0.079 0.023 17 0 "[ . 1 . 2]"
1 66 PRO 0.074 0.023 17 0 "[ . 1 . 2]"
1 67 LYS 0.010 0.010 17 0 "[ . 1 . 2]"
1 68 THR 0.131 0.037 14 0 "[ . 1 . 2]"
1 69 ALA 0.113 0.037 14 0 "[ . 1 . 2]"
1 70 SER 0.005 0.005 3 0 "[ . 1 . 2]"
1 71 GLN 0.019 0.005 3 0 "[ . 1 . 2]"
1 72 SER 0.021 0.005 17 0 "[ . 1 . 2]"
1 73 LEU 0.058 0.009 5 0 "[ . 1 . 2]"
1 74 LEU 0.019 0.007 19 0 "[ . 1 . 2]"
1 75 VAL 0.021 0.005 17 0 "[ . 1 . 2]"
1 76 ASN 0.002 0.002 1 0 "[ . 1 . 2]"
1 77 LEU 0.064 0.009 5 0 "[ . 1 . 2]"
1 78 ARG 0.001 0.001 10 0 "[ . 1 . 2]"
1 79 ALA 0.008 0.004 20 0 "[ . 1 . 2]"
1 80 MET 0.008 0.004 12 0 "[ . 1 . 2]"
1 81 GLN 0.014 0.003 7 0 "[ . 1 . 2]"
1 82 ASN 0.003 0.002 16 0 "[ . 1 . 2]"
1 83 PHE 0.003 0.001 16 0 "[ . 1 . 2]"
1 84 LEU 0.019 0.006 7 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 0.001 0.001 8 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLU 0.015 0.003 6 0 "[ . 1 . 2]"
1 91 ARG 0.008 0.004 17 0 "[ . 1 . 2]"
1 92 ASP 0.012 0.003 6 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ILE 0.009 0.005 1 0 "[ . 1 . 2]"
1 95 TYR 0.026 0.004 17 0 "[ . 1 . 2]"
1 96 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASP 0.034 0.018 5 0 "[ . 1 . 2]"
1 98 GLU 0.041 0.018 5 0 "[ . 1 . 2]"
1 99 ARG 0.083 0.022 12 0 "[ . 1 . 2]"
1 100 GLU 0.106 0.022 12 0 "[ . 1 . 2]"
1 101 ARG 0.040 0.014 3 0 "[ . 1 . 2]"
1 102 SER 0.011 0.009 19 0 "[ . 1 . 2]"
1 103 LEU 0.002 0.002 4 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 21 GLU H 1 22 VAL H 5.000 2.500 6.000 4.337 2.664 4.639 . 0 0 "[ . 1 . 2]" 1
2 1 21 GLU HA 1 22 VAL QG 3.500 . 4.500 3.474 3.221 4.199 . 0 0 "[ . 1 . 2]" 1
3 1 21 GLU HA 1 22 VAL H 2.000 . 2.800 2.315 2.139 2.799 . 0 0 "[ . 1 . 2]" 1
4 1 21 GLU HB3 1 22 VAL H 3.500 . 4.500 3.188 2.087 4.377 . 0 0 "[ . 1 . 2]" 1
5 1 21 GLU HB2 1 22 VAL H 3.500 . 4.500 4.020 3.231 4.502 0.002 17 0 "[ . 1 . 2]" 1
6 1 21 GLU QG 1 22 VAL H 3.500 . 4.500 3.826 2.244 4.478 . 0 0 "[ . 1 . 2]" 1
7 1 22 VAL HA 1 23 SER H 2.000 . 2.800 2.182 2.142 2.338 . 0 0 "[ . 1 . 2]" 1
8 1 22 VAL HB 1 23 SER H 3.500 . 4.500 4.236 3.867 4.441 . 0 0 "[ . 1 . 2]" 1
9 1 22 VAL QG 1 23 SER H 2.500 . 3.500 2.853 2.267 3.471 . 0 0 "[ . 1 . 2]" 1
10 1 22 VAL H 1 23 SER H 5.000 2.500 6.000 4.307 3.884 4.601 . 0 0 "[ . 1 . 2]" 1
11 1 22 VAL HB 1 26 ILE MG 5.000 2.500 6.000 4.155 3.442 5.059 . 0 0 "[ . 1 . 2]" 1
12 1 22 VAL QG 1 26 ILE HB 2.500 . 3.500 2.468 1.868 2.982 . 0 0 "[ . 1 . 2]" 1
13 1 22 VAL QG 1 26 ILE MG 2.000 . 2.800 2.103 1.811 2.658 . 0 0 "[ . 1 . 2]" 1
14 1 22 VAL QG 1 26 ILE H 3.500 . 4.500 3.788 3.381 4.441 . 0 0 "[ . 1 . 2]" 1
15 1 22 VAL HB 1 66 PRO QB 2.500 . 3.500 2.995 2.134 3.505 0.005 19 0 "[ . 1 . 2]" 1
16 1 22 VAL HB 1 66 PRO QD 5.000 2.500 6.000 3.964 3.374 5.018 . 0 0 "[ . 1 . 2]" 1
17 1 22 VAL QG 1 66 PRO QB 2.500 . 3.500 3.114 2.530 3.506 0.006 19 0 "[ . 1 . 2]" 1
18 1 22 VAL QG 1 66 PRO QG 2.500 . 3.500 2.402 1.848 2.968 . 0 0 "[ . 1 . 2]" 1
19 1 22 VAL QG 1 74 LEU HA 3.500 . 4.500 3.859 3.251 4.507 0.007 19 0 "[ . 1 . 2]" 1
20 1 22 VAL QG 1 74 LEU QD 2.500 . 3.500 2.944 2.117 3.414 . 0 0 "[ . 1 . 2]" 1
21 1 22 VAL HB 1 77 LEU QD 3.500 . 4.500 3.299 2.333 4.219 . 0 0 "[ . 1 . 2]" 1
22 1 22 VAL QG 1 77 LEU QB 2.000 . 2.800 2.285 1.738 2.748 . 0 0 "[ . 1 . 2]" 1
23 1 22 VAL QG 1 77 LEU QD 2.500 . 3.500 2.307 1.896 2.824 . 0 0 "[ . 1 . 2]" 1
24 1 22 VAL QG 1 78 ARG HA 2.500 . 3.500 3.255 2.607 3.500 . 0 0 "[ . 1 . 2]" 1
25 1 22 VAL QG 1 78 ARG H 3.500 . 4.500 3.909 3.324 4.379 . 0 0 "[ . 1 . 2]" 1
26 1 22 VAL HA 1 81 GLN QE 3.500 . 4.500 2.965 2.003 4.064 . 0 0 "[ . 1 . 2]" 1
27 1 22 VAL QG 1 81 GLN HB2 3.500 . 4.500 3.366 2.370 4.071 . 0 0 "[ . 1 . 2]" 1
28 1 22 VAL QG 1 81 GLN QE 3.500 . 4.500 2.869 1.999 3.622 0.001 19 0 "[ . 1 . 2]" 1
29 1 22 VAL QG 1 81 GLN H 5.000 2.500 6.000 4.643 3.944 5.100 . 0 0 "[ . 1 . 2]" 1
30 1 23 SER H 1 24 SER H 5.000 2.500 6.000 4.521 4.438 4.633 . 0 0 "[ . 1 . 2]" 1
31 1 23 SER HA 1 24 SER H 2.500 . 3.500 2.538 2.348 2.661 . 0 0 "[ . 1 . 2]" 1
32 1 23 SER HB3 1 24 SER H 3.500 . 4.500 2.196 1.997 2.586 0.003 17 0 "[ . 1 . 2]" 1
33 1 23 SER HB2 1 24 SER H 5.000 2.500 6.000 3.424 3.003 3.787 . 0 0 "[ . 1 . 2]" 1
34 1 23 SER HA 1 25 GLU H 5.000 2.500 6.000 4.177 4.005 4.345 . 0 0 "[ . 1 . 2]" 1
35 1 23 SER HB2 1 25 GLU H 5.000 2.500 6.000 2.908 2.504 3.360 . 0 0 "[ . 1 . 2]" 1
36 1 23 SER HA 1 26 ILE H 5.000 2.500 6.000 5.069 4.875 5.231 . 0 0 "[ . 1 . 2]" 1
37 1 23 SER HB3 1 26 ILE H 5.000 2.500 6.000 4.693 4.178 5.124 . 0 0 "[ . 1 . 2]" 1
38 1 23 SER HB2 1 26 ILE H 5.000 2.500 6.000 4.060 3.676 4.449 . 0 0 "[ . 1 . 2]" 1
39 1 23 SER H 1 26 ILE HB 5.000 2.500 6.000 4.171 3.599 4.881 . 0 0 "[ . 1 . 2]" 1
40 1 23 SER H 1 26 ILE MG 5.000 2.500 6.000 4.253 3.737 4.765 . 0 0 "[ . 1 . 2]" 1
41 1 23 SER H 1 26 ILE H 5.000 2.500 6.000 4.240 3.803 4.748 . 0 0 "[ . 1 . 2]" 1
42 1 23 SER HB2 1 29 TRP HH2 5.000 2.500 6.000 5.197 4.766 5.752 . 0 0 "[ . 1 . 2]" 1
43 1 23 SER H 1 81 GLN QE 3.500 . 4.500 3.710 2.722 4.319 . 0 0 "[ . 1 . 2]" 1
44 1 24 SER HA 1 25 GLU H 5.000 2.500 6.000 3.443 3.405 3.467 . 0 0 "[ . 1 . 2]" 1
45 1 24 SER H 1 25 GLU H 3.500 . 4.500 2.614 2.502 2.690 . 0 0 "[ . 1 . 2]" 1
46 1 24 SER HA 1 26 ILE MG 3.500 . 4.500 2.824 2.749 2.991 . 0 0 "[ . 1 . 2]" 1
47 1 24 SER HA 1 26 ILE H 3.500 . 4.500 3.611 3.549 3.730 . 0 0 "[ . 1 . 2]" 1
48 1 24 SER H 1 26 ILE H 5.000 2.500 6.000 4.415 4.257 4.544 . 0 0 "[ . 1 . 2]" 1
49 1 24 SER HA 1 27 TYR QD 3.500 . 4.500 2.358 1.999 2.753 0.001 19 0 "[ . 1 . 2]" 1
50 1 24 SER HA 1 27 TYR QE 3.500 . 4.500 3.483 2.575 4.239 . 0 0 "[ . 1 . 2]" 1
51 1 24 SER HA 1 27 TYR H 5.000 2.500 6.000 3.505 3.409 3.608 . 0 0 "[ . 1 . 2]" 1
52 1 24 SER QB 1 27 TYR QD 5.000 2.500 6.000 3.818 3.251 4.561 . 0 0 "[ . 1 . 2]" 1
53 1 24 SER HA 1 65 ASP QB 5.000 2.500 6.000 5.384 4.449 6.002 0.002 3 0 "[ . 1 . 2]" 1
54 1 25 GLU HA 1 26 ILE H 3.500 . 4.500 3.475 3.461 3.486 . 0 0 "[ . 1 . 2]" 1
55 1 25 GLU QB 1 26 ILE H 5.000 2.500 6.000 2.878 2.820 2.932 . 0 0 "[ . 1 . 2]" 1
56 1 25 GLU QG 1 26 ILE H 5.000 2.500 6.000 4.242 4.024 4.638 . 0 0 "[ . 1 . 2]" 1
57 1 25 GLU H 1 26 ILE MG 5.000 2.500 6.000 3.998 3.969 4.037 . 0 0 "[ . 1 . 2]" 1
58 1 25 GLU H 1 26 ILE H 2.500 . 3.500 2.755 2.710 2.780 . 0 0 "[ . 1 . 2]" 1
59 1 25 GLU HA 1 27 TYR H 5.000 2.500 6.000 4.184 3.929 4.315 . 0 0 "[ . 1 . 2]" 1
60 1 25 GLU HA 1 28 GLN QB 3.500 . 4.500 2.534 2.385 2.719 . 0 0 "[ . 1 . 2]" 1
61 1 25 GLU HA 1 28 GLN H 5.000 2.500 6.000 3.220 3.125 3.435 . 0 0 "[ . 1 . 2]" 1
62 1 25 GLU HA 1 29 TRP HE1 5.000 2.500 6.000 4.531 4.235 4.842 . 0 0 "[ . 1 . 2]" 1
63 1 25 GLU QB 1 29 TRP HD1 5.000 2.500 6.000 4.104 3.931 4.289 . 0 0 "[ . 1 . 2]" 1
64 1 25 GLU QB 1 29 TRP HE1 3.500 . 4.500 2.775 2.501 2.911 . 0 0 "[ . 1 . 2]" 1
65 1 25 GLU QB 1 29 TRP HH2 5.000 2.500 6.000 3.521 3.234 3.806 . 0 0 "[ . 1 . 2]" 1
66 1 25 GLU QB 1 29 TRP HZ2 3.500 . 4.500 2.689 2.319 2.858 . 0 0 "[ . 1 . 2]" 1
67 1 25 GLU HB3 1 29 TRP HE1 3.500 . 4.500 2.804 2.523 2.948 . 0 0 "[ . 1 . 2]" 1
68 1 25 GLU HB2 1 29 TRP HE1 3.500 . 4.500 4.416 4.126 4.502 0.002 5 0 "[ . 1 . 2]" 1
69 1 25 GLU QG 1 29 TRP HE1 3.500 . 4.500 3.996 2.961 4.501 0.001 14 0 "[ . 1 . 2]" 1
70 1 25 GLU QG 1 29 TRP HZ2 5.000 2.500 6.000 3.788 3.107 4.222 . 0 0 "[ . 1 . 2]" 1
71 1 26 ILE HA 1 27 TYR H 5.000 2.500 6.000 3.538 3.501 3.551 . 0 0 "[ . 1 . 2]" 1
72 1 26 ILE HB 1 27 TYR H 5.000 2.500 6.000 3.878 3.830 3.984 . 0 0 "[ . 1 . 2]" 1
73 1 26 ILE QG 1 27 TYR H 5.000 2.500 6.000 3.676 3.582 3.847 . 0 0 "[ . 1 . 2]" 1
74 1 26 ILE MG 1 27 TYR HA 3.500 . 4.500 3.288 3.181 3.433 . 0 0 "[ . 1 . 2]" 1
75 1 26 ILE MG 1 27 TYR QD 3.500 . 4.500 2.286 2.005 2.676 . 0 0 "[ . 1 . 2]" 1
76 1 26 ILE MG 1 27 TYR QE 3.500 . 4.500 2.854 2.466 3.197 . 0 0 "[ . 1 . 2]" 1
77 1 26 ILE MG 1 27 TYR H 2.500 . 3.500 1.938 1.879 2.071 . 0 0 "[ . 1 . 2]" 1
78 1 26 ILE H 1 27 TYR QD 3.500 . 4.500 4.040 3.575 4.442 . 0 0 "[ . 1 . 2]" 1
79 1 26 ILE H 1 27 TYR H 3.500 . 4.500 2.746 2.681 2.784 . 0 0 "[ . 1 . 2]" 1
80 1 26 ILE MG 1 28 GLN H 5.000 2.500 6.000 4.084 3.956 4.196 . 0 0 "[ . 1 . 2]" 1
81 1 26 ILE H 1 28 GLN H 5.000 2.500 6.000 4.158 4.017 4.333 . 0 0 "[ . 1 . 2]" 1
82 1 26 ILE HA 1 29 TRP HB3 3.500 . 4.500 4.392 4.191 4.502 0.002 2 0 "[ . 1 . 2]" 1
83 1 26 ILE HA 1 29 TRP HB2 2.500 . 3.500 2.854 2.650 2.960 . 0 0 "[ . 1 . 2]" 1
84 1 26 ILE HA 1 29 TRP HE3 2.500 . 3.500 2.424 2.107 2.736 . 0 0 "[ . 1 . 2]" 1
85 1 26 ILE HA 1 29 TRP H 3.500 . 4.500 3.609 3.472 3.755 . 0 0 "[ . 1 . 2]" 1
86 1 26 ILE HA 1 29 TRP HZ3 3.500 . 4.500 3.708 3.412 4.094 . 0 0 "[ . 1 . 2]" 1
87 1 26 ILE HB 1 29 TRP HE3 3.500 . 4.500 4.194 3.853 4.470 . 0 0 "[ . 1 . 2]" 1
88 1 26 ILE HB 1 29 TRP HZ3 5.000 2.500 6.000 4.163 3.704 4.645 . 0 0 "[ . 1 . 2]" 1
89 1 26 ILE MD 1 29 TRP HE3 2.500 . 3.500 2.533 2.036 3.099 . 0 0 "[ . 1 . 2]" 1
90 1 26 ILE MD 1 29 TRP HZ3 3.500 . 4.500 3.112 2.602 3.581 . 0 0 "[ . 1 . 2]" 1
91 1 26 ILE QG 1 29 TRP HE3 5.000 2.500 6.000 4.129 3.449 4.564 . 0 0 "[ . 1 . 2]" 1
92 1 26 ILE MG 1 29 TRP HE3 5.000 2.500 6.000 5.099 4.833 5.362 . 0 0 "[ . 1 . 2]" 1
93 1 26 ILE MG 1 29 TRP H 5.000 2.500 6.000 4.869 4.799 4.971 . 0 0 "[ . 1 . 2]" 1
94 1 26 ILE HA 1 30 VAL H 3.500 . 4.500 4.417 4.224 4.504 0.004 7 0 "[ . 1 . 2]" 1
95 1 26 ILE MG 1 66 PRO QG 3.500 . 4.500 3.569 2.811 4.129 . 0 0 "[ . 1 . 2]" 1
96 1 26 ILE QG 1 77 LEU HA 3.500 . 4.500 3.403 2.642 4.204 . 0 0 "[ . 1 . 2]" 1
97 1 26 ILE QG 1 77 LEU HG 3.500 . 4.500 3.518 2.392 4.501 0.001 1 0 "[ . 1 . 2]" 1
98 1 26 ILE MG 1 77 LEU QB 3.500 . 4.500 3.514 2.625 4.379 . 0 0 "[ . 1 . 2]" 1
99 1 26 ILE MG 1 77 LEU QD 2.500 . 3.500 2.399 1.897 2.926 . 0 0 "[ . 1 . 2]" 1
100 1 26 ILE MG 1 77 LEU HG 3.500 . 4.500 3.711 2.682 4.506 0.006 11 0 "[ . 1 . 2]" 1
101 1 26 ILE MD 1 80 MET QB 2.500 . 3.500 2.440 1.974 3.212 . 0 0 "[ . 1 . 2]" 1
102 1 26 ILE QG 1 80 MET QB 3.500 . 4.500 3.085 2.732 3.581 . 0 0 "[ . 1 . 2]" 1
103 1 26 ILE MD 1 81 GLN HA 2.000 . 2.800 2.314 1.844 2.700 . 0 0 "[ . 1 . 2]" 1
104 1 26 ILE MD 1 81 GLN HB2 2.500 . 3.500 2.138 1.924 2.720 . 0 0 "[ . 1 . 2]" 1
105 1 26 ILE MD 1 81 GLN QG 2.500 . 3.500 2.516 1.883 3.312 . 0 0 "[ . 1 . 2]" 1
106 1 26 ILE MD 1 81 GLN H 3.500 . 4.500 2.720 2.289 3.167 . 0 0 "[ . 1 . 2]" 1
107 1 26 ILE QG 1 81 GLN H 5.000 2.500 6.000 4.233 3.803 4.694 . 0 0 "[ . 1 . 2]" 1
108 1 27 TYR HA 1 28 GLN H 3.500 . 4.500 3.531 3.506 3.556 . 0 0 "[ . 1 . 2]" 1
109 1 27 TYR HB3 1 28 GLN H 3.500 . 4.500 3.612 3.372 3.901 . 0 0 "[ . 1 . 2]" 1
110 1 27 TYR HB2 1 28 GLN H 3.500 . 4.500 2.667 2.483 2.812 . 0 0 "[ . 1 . 2]" 1
111 1 27 TYR QD 1 28 GLN H 5.000 2.500 6.000 4.124 3.747 4.396 . 0 0 "[ . 1 . 2]" 1
112 1 27 TYR H 1 28 GLN QB 5.000 2.500 6.000 4.292 4.164 4.385 . 0 0 "[ . 1 . 2]" 1
113 1 27 TYR H 1 28 GLN H 2.500 . 3.500 2.554 2.454 2.736 . 0 0 "[ . 1 . 2]" 1
114 1 27 TYR H 1 29 TRP H 5.000 2.500 6.000 3.929 3.847 4.036 . 0 0 "[ . 1 . 2]" 1
115 1 27 TYR HA 1 30 VAL HB 2.500 . 3.500 3.387 3.185 3.499 . 0 0 "[ . 1 . 2]" 1
116 1 27 TYR HA 1 30 VAL MG1 5.000 2.500 6.000 4.573 4.434 4.799 . 0 0 "[ . 1 . 2]" 1
117 1 27 TYR HA 1 30 VAL MG2 3.500 . 4.500 2.556 2.169 3.100 . 0 0 "[ . 1 . 2]" 1
118 1 27 TYR HA 1 30 VAL H 5.000 2.500 6.000 3.559 3.474 3.666 . 0 0 "[ . 1 . 2]" 1
119 1 27 TYR HA 1 31 ARG H 5.000 2.500 6.000 4.501 4.083 4.708 . 0 0 "[ . 1 . 2]" 1
120 1 27 TYR QD 1 59 ILE MG 3.500 . 4.500 3.643 2.815 4.079 . 0 0 "[ . 1 . 2]" 1
121 1 27 TYR QE 1 59 ILE HA 5.000 2.500 6.000 4.174 3.611 4.775 . 0 0 "[ . 1 . 2]" 1
122 1 27 TYR QE 1 59 ILE HB 5.000 2.500 6.000 4.100 3.558 5.034 . 0 0 "[ . 1 . 2]" 1
123 1 27 TYR QE 1 59 ILE MG 2.000 . 2.800 2.058 1.834 2.713 . 0 0 "[ . 1 . 2]" 1
124 1 27 TYR HA 1 60 LEU QD 3.500 . 4.500 3.008 2.388 3.492 . 0 0 "[ . 1 . 2]" 1
125 1 27 TYR HB3 1 60 LEU QD 3.500 . 4.500 2.912 2.321 3.269 . 0 0 "[ . 1 . 2]" 1
126 1 27 TYR HB2 1 60 LEU QD 3.500 . 4.500 4.277 3.710 4.506 0.006 5 0 "[ . 1 . 2]" 1
127 1 27 TYR QD 1 60 LEU HA 2.500 . 3.500 2.753 2.330 3.323 . 0 0 "[ . 1 . 2]" 1
128 1 27 TYR QD 1 60 LEU QD 2.000 . 2.800 2.146 1.860 2.579 . 0 0 "[ . 1 . 2]" 1
129 1 27 TYR QE 1 60 LEU HA 3.500 . 4.500 3.372 2.560 4.317 . 0 0 "[ . 1 . 2]" 1
130 1 27 TYR QE 1 60 LEU QD 3.500 . 4.500 3.620 2.691 4.308 . 0 0 "[ . 1 . 2]" 1
131 1 27 TYR QD 1 63 GLU HA 5.000 2.500 6.000 3.746 2.831 4.343 . 0 0 "[ . 1 . 2]" 1
132 1 27 TYR QE 1 63 GLU HA 3.500 . 4.500 3.651 2.792 4.312 . 0 0 "[ . 1 . 2]" 1
133 1 27 TYR QE 1 63 GLU QB 5.000 2.500 6.000 5.272 4.092 5.949 . 0 0 "[ . 1 . 2]" 1
134 1 27 TYR QE 1 63 GLU H 5.000 2.500 6.000 3.989 3.238 4.747 . 0 0 "[ . 1 . 2]" 1
135 1 27 TYR QE 1 64 GLU H 5.000 2.500 6.000 4.187 3.616 4.690 . 0 0 "[ . 1 . 2]" 1
136 1 27 TYR QE 1 65 ASP HA 2.500 . 3.500 3.105 2.385 3.500 0.000 14 0 "[ . 1 . 2]" 1
137 1 27 TYR QE 1 66 PRO QD 3.500 . 4.500 2.550 2.001 3.248 . 0 0 "[ . 1 . 2]" 1
138 1 27 TYR QE 1 66 PRO HD3 3.500 . 4.500 2.588 2.008 3.332 . 0 0 "[ . 1 . 2]" 1
139 1 27 TYR QE 1 66 PRO HD2 3.500 . 4.500 3.967 3.224 4.501 0.001 19 0 "[ . 1 . 2]" 1
140 1 27 TYR QE 1 73 LEU QD 3.500 . 4.500 3.625 3.022 4.337 . 0 0 "[ . 1 . 2]" 1
141 1 27 TYR QD 1 77 LEU QD 5.000 2.500 6.000 3.763 3.244 4.268 . 0 0 "[ . 1 . 2]" 1
142 1 27 TYR QE 1 77 LEU QD 2.500 . 3.500 2.608 2.162 2.949 . 0 0 "[ . 1 . 2]" 1
143 1 27 TYR QE 1 80 MET ME 5.000 2.500 6.000 4.564 3.791 5.148 . 0 0 "[ . 1 . 2]" 1
144 1 28 GLN HA 1 29 TRP H 3.500 . 4.500 3.494 3.481 3.516 . 0 0 "[ . 1 . 2]" 1
145 1 28 GLN QB 1 29 TRP HD1 5.000 2.500 6.000 3.491 3.172 4.011 . 0 0 "[ . 1 . 2]" 1
146 1 28 GLN QB 1 29 TRP H 2.500 . 3.500 2.805 2.704 2.893 . 0 0 "[ . 1 . 2]" 1
147 1 28 GLN QG 1 29 TRP HD1 5.000 2.500 6.000 4.467 3.506 5.284 . 0 0 "[ . 1 . 2]" 1
148 1 28 GLN QG 1 29 TRP HE1 5.000 2.500 6.000 5.589 4.730 6.003 0.003 2 0 "[ . 1 . 2]" 1
149 1 28 GLN QG 1 29 TRP H 5.000 2.500 6.000 4.254 3.853 4.644 . 0 0 "[ . 1 . 2]" 1
150 1 28 GLN H 1 29 TRP HB2 5.000 2.500 6.000 4.713 4.610 4.862 . 0 0 "[ . 1 . 2]" 1
151 1 28 GLN H 1 29 TRP H 2.500 . 3.500 2.568 2.489 2.680 . 0 0 "[ . 1 . 2]" 1
152 1 28 GLN HA 1 30 VAL H 5.000 2.500 6.000 4.465 4.234 4.838 . 0 0 "[ . 1 . 2]" 1
153 1 28 GLN H 1 30 VAL H 5.000 2.500 6.000 4.288 4.142 4.676 . 0 0 "[ . 1 . 2]" 1
154 1 28 GLN HA 1 31 ARG HB2 2.500 . 3.500 2.908 2.490 3.409 . 0 0 "[ . 1 . 2]" 1
155 1 28 GLN HA 1 31 ARG H 3.500 . 4.500 3.589 3.472 3.804 . 0 0 "[ . 1 . 2]" 1
156 1 28 GLN HA 1 32 ASP H 5.000 2.500 6.000 4.171 3.786 4.535 . 0 0 "[ . 1 . 2]" 1
157 1 28 GLN QE 1 32 ASP H 5.000 2.500 6.000 5.277 3.869 6.008 0.008 20 0 "[ . 1 . 2]" 1
158 1 28 GLN QG 1 32 ASP H 5.000 2.500 6.000 4.586 3.847 5.906 . 0 0 "[ . 1 . 2]" 1
159 1 29 TRP HA 1 30 VAL H 5.000 2.500 6.000 3.541 3.511 3.569 . 0 0 "[ . 1 . 2]" 1
160 1 29 TRP HB3 1 30 VAL H 3.500 . 4.500 3.536 3.199 3.680 . 0 0 "[ . 1 . 2]" 1
161 1 29 TRP HB2 1 30 VAL H 3.500 . 4.500 2.599 2.360 2.815 . 0 0 "[ . 1 . 2]" 1
162 1 29 TRP H 1 30 VAL H 3.500 . 4.500 2.628 2.536 2.758 . 0 0 "[ . 1 . 2]" 1
163 1 29 TRP H 1 31 ARG H 5.000 2.500 6.000 4.164 3.930 4.574 . 0 0 "[ . 1 . 2]" 1
164 1 29 TRP HA 1 32 ASP QB 2.500 . 3.500 2.776 2.331 3.044 . 0 0 "[ . 1 . 2]" 1
165 1 29 TRP HA 1 32 ASP H 5.000 2.500 6.000 3.535 3.330 3.762 . 0 0 "[ . 1 . 2]" 1
166 1 29 TRP HD1 1 32 ASP QB 5.000 2.500 6.000 3.930 3.639 4.299 . 0 0 "[ . 1 . 2]" 1
167 1 29 TRP HA 1 33 GLU H 5.000 2.500 6.000 3.882 3.565 4.254 . 0 0 "[ . 1 . 2]" 1
168 1 29 TRP HE3 1 81 GLN HA 5.000 2.500 6.000 3.676 3.179 4.494 . 0 0 "[ . 1 . 2]" 1
169 1 29 TRP HE3 1 81 GLN QG 5.000 2.500 6.000 3.573 3.052 4.627 . 0 0 "[ . 1 . 2]" 1
170 1 29 TRP HH2 1 81 GLN QE 5.000 2.500 6.000 3.704 2.811 5.397 . 0 0 "[ . 1 . 2]" 1
171 1 29 TRP HZ3 1 81 GLN HA 5.000 2.500 6.000 3.885 2.969 4.850 . 0 0 "[ . 1 . 2]" 1
172 1 29 TRP HZ3 1 81 GLN QG 3.500 . 4.500 2.336 1.998 3.514 0.002 15 0 "[ . 1 . 2]" 1
173 1 29 TRP HB3 1 84 LEU QD 2.500 . 3.500 2.049 1.738 2.518 . 0 0 "[ . 1 . 2]" 1
174 1 29 TRP HB2 1 84 LEU QD 3.500 . 4.500 2.340 1.999 2.847 0.001 6 0 "[ . 1 . 2]" 1
175 1 29 TRP HB2 1 84 LEU MD1 3.500 . 4.500 2.377 2.012 2.903 . 0 0 "[ . 1 . 2]" 1
176 1 29 TRP HB2 1 84 LEU MD2 3.500 . 4.500 3.644 3.012 4.289 . 0 0 "[ . 1 . 2]" 1
177 1 29 TRP HD1 1 84 LEU QD 5.000 2.500 6.000 4.565 4.094 4.986 . 0 0 "[ . 1 . 2]" 1
178 1 29 TRP HE1 1 84 LEU QD 5.000 2.500 6.000 5.640 5.282 5.999 . 0 0 "[ . 1 . 2]" 1
179 1 29 TRP HE3 1 84 LEU HB3 5.000 2.500 6.000 3.808 3.018 4.299 . 0 0 "[ . 1 . 2]" 1
180 1 29 TRP HE3 1 84 LEU QD 3.500 . 4.500 2.497 2.087 2.888 . 0 0 "[ . 1 . 2]" 1
181 1 29 TRP HH2 1 85 GLN QG 5.000 2.500 6.000 4.953 4.007 5.834 . 0 0 "[ . 1 . 2]" 1
182 1 30 VAL HA 1 31 ARG H 5.000 2.500 6.000 3.539 3.506 3.572 . 0 0 "[ . 1 . 2]" 1
183 1 30 VAL HB 1 31 ARG H 2.500 . 3.500 2.563 2.157 2.795 . 0 0 "[ . 1 . 2]" 1
184 1 30 VAL MG1 1 31 ARG HA 3.500 . 4.500 3.722 3.524 3.799 . 0 0 "[ . 1 . 2]" 1
185 1 30 VAL MG1 1 31 ARG H 3.500 . 4.500 3.603 3.263 3.765 . 0 0 "[ . 1 . 2]" 1
186 1 30 VAL MG2 1 31 ARG H 5.000 2.500 6.000 3.707 3.550 3.802 . 0 0 "[ . 1 . 2]" 1
187 1 30 VAL H 1 31 ARG H 3.500 . 4.500 2.728 2.619 2.927 . 0 0 "[ . 1 . 2]" 1
188 1 30 VAL H 1 32 ASP H 5.000 2.500 6.000 4.216 3.960 4.541 . 0 0 "[ . 1 . 2]" 1
189 1 30 VAL HA 1 33 GLU QB 2.500 . 3.500 2.754 2.418 3.188 . 0 0 "[ . 1 . 2]" 1
190 1 30 VAL HA 1 33 GLU H 3.500 . 4.500 3.572 3.324 3.839 . 0 0 "[ . 1 . 2]" 1
191 1 30 VAL HA 1 34 LEU H 5.000 2.500 6.000 3.968 3.711 4.195 . 0 0 "[ . 1 . 2]" 1
192 1 30 VAL MG1 1 34 LEU QD 3.500 . 4.500 2.196 2.000 2.547 0.000 12 0 "[ . 1 . 2]" 1
193 1 30 VAL MG1 1 34 LEU HG 2.500 . 3.500 2.771 2.296 3.326 . 0 0 "[ . 1 . 2]" 1
194 1 30 VAL MG1 1 34 LEU H 3.500 . 4.500 4.028 3.699 4.348 . 0 0 "[ . 1 . 2]" 1
195 1 30 VAL HA 1 44 PHE QE 3.500 . 4.500 3.668 3.365 3.949 . 0 0 "[ . 1 . 2]" 1
196 1 30 VAL HA 1 44 PHE HZ 3.500 . 4.500 3.040 2.698 3.638 . 0 0 "[ . 1 . 2]" 1
197 1 30 VAL MG1 1 44 PHE QD 3.500 . 4.500 3.318 2.899 3.618 . 0 0 "[ . 1 . 2]" 1
198 1 30 VAL MG1 1 44 PHE QE 3.500 . 4.500 2.407 2.011 2.850 . 0 0 "[ . 1 . 2]" 1
199 1 30 VAL MG1 1 44 PHE HZ 3.500 . 4.500 2.944 2.383 3.332 . 0 0 "[ . 1 . 2]" 1
200 1 30 VAL MG2 1 44 PHE QE 2.500 . 3.500 2.956 2.362 3.295 . 0 0 "[ . 1 . 2]" 1
201 1 30 VAL MG2 1 44 PHE HZ 2.500 . 3.500 3.173 2.627 3.498 . 0 0 "[ . 1 . 2]" 1
202 1 30 VAL MG1 1 56 LEU QD 2.500 . 3.500 2.602 2.108 3.101 . 0 0 "[ . 1 . 2]" 1
203 1 30 VAL HB 1 60 LEU QD 2.500 . 3.500 2.619 1.970 3.129 . 0 0 "[ . 1 . 2]" 1
204 1 30 VAL MG1 1 60 LEU QD 2.000 . 2.800 2.337 1.957 2.800 0.000 14 0 "[ . 1 . 2]" 1
205 1 30 VAL MG1 1 60 LEU MD1 2.500 . 3.500 2.553 1.984 3.429 . 0 0 "[ . 1 . 2]" 1
206 1 30 VAL MG1 1 60 LEU MD2 2.500 . 3.500 2.984 2.335 3.501 0.001 20 0 "[ . 1 . 2]" 1
207 1 30 VAL H 1 60 LEU QD 5.000 2.500 6.000 4.426 4.049 4.951 . 0 0 "[ . 1 . 2]" 1
208 1 30 VAL MG1 1 80 MET ME 3.500 . 4.500 3.618 2.516 4.470 . 0 0 "[ . 1 . 2]" 1
209 1 30 VAL HA 1 84 LEU QD 2.500 . 3.500 2.702 2.198 3.210 . 0 0 "[ . 1 . 2]" 1
210 1 30 VAL MG1 1 84 LEU QD 3.500 . 4.500 3.588 3.203 4.024 . 0 0 "[ . 1 . 2]" 1
211 1 30 VAL MG2 1 84 LEU QD 2.500 . 3.500 2.224 1.779 2.707 . 0 0 "[ . 1 . 2]" 1
212 1 30 VAL H 1 84 LEU QD 3.500 . 4.500 3.125 2.740 3.672 . 0 0 "[ . 1 . 2]" 1
213 1 31 ARG HA 1 32 ASP H 3.500 . 4.500 3.537 3.490 3.569 . 0 0 "[ . 1 . 2]" 1
214 1 31 ARG HB3 1 32 ASP H 3.500 . 4.500 3.388 2.983 3.877 . 0 0 "[ . 1 . 2]" 1
215 1 31 ARG HB2 1 32 ASP H 3.500 . 4.500 2.711 2.237 2.921 . 0 0 "[ . 1 . 2]" 1
216 1 31 ARG QG 1 32 ASP H 5.000 2.500 6.000 4.222 3.856 4.412 . 0 0 "[ . 1 . 2]" 1
217 1 31 ARG H 1 32 ASP H 3.500 . 4.500 2.649 2.463 2.857 . 0 0 "[ . 1 . 2]" 1
218 1 31 ARG HA 1 33 GLU H 5.000 2.500 6.000 4.428 4.115 4.723 . 0 0 "[ . 1 . 2]" 1
219 1 31 ARG H 1 33 GLU H 3.500 . 4.500 4.016 3.820 4.204 . 0 0 "[ . 1 . 2]" 1
220 1 31 ARG HA 1 34 LEU QD 2.500 . 3.500 2.878 2.394 3.503 0.003 7 0 "[ . 1 . 2]" 1
221 1 31 ARG HA 1 34 LEU HG 3.500 . 4.500 4.242 3.980 4.481 . 0 0 "[ . 1 . 2]" 1
222 1 31 ARG HA 1 34 LEU H 3.500 . 4.500 3.620 3.334 3.846 . 0 0 "[ . 1 . 2]" 1
223 1 31 ARG QG 1 60 LEU QD 3.500 . 4.500 2.482 2.051 2.945 . 0 0 "[ . 1 . 2]" 1
224 1 32 ASP HA 1 33 GLU H 3.500 . 4.500 3.519 3.489 3.551 . 0 0 "[ . 1 . 2]" 1
225 1 32 ASP HB3 1 33 GLU H 3.500 . 4.500 3.156 2.514 3.739 . 0 0 "[ . 1 . 2]" 1
226 1 32 ASP HB2 1 33 GLU H 3.500 . 4.500 3.175 2.698 3.832 . 0 0 "[ . 1 . 2]" 1
227 1 32 ASP H 1 33 GLU H 3.500 . 4.500 2.566 2.445 2.750 . 0 0 "[ . 1 . 2]" 1
228 1 32 ASP H 1 34 LEU H 5.000 2.500 6.000 4.100 3.894 4.333 . 0 0 "[ . 1 . 2]" 1
229 1 32 ASP HA 1 35 LYS QB 3.500 . 4.500 3.024 2.606 4.088 . 0 0 "[ . 1 . 2]" 1
230 1 32 ASP HA 1 35 LYS H 3.500 . 4.500 3.586 3.261 3.958 . 0 0 "[ . 1 . 2]" 1
231 1 33 GLU HA 1 34 LEU H 5.000 2.500 6.000 3.526 3.491 3.556 . 0 0 "[ . 1 . 2]" 1
232 1 33 GLU QB 1 34 LEU QD 5.000 2.500 6.000 3.897 2.603 4.288 . 0 0 "[ . 1 . 2]" 1
233 1 33 GLU QB 1 34 LEU H 2.500 . 3.500 2.641 2.406 2.819 . 0 0 "[ . 1 . 2]" 1
234 1 33 GLU HA 1 35 LYS H 5.000 2.500 6.000 4.358 4.058 4.931 . 0 0 "[ . 1 . 2]" 1
235 1 33 GLU H 1 35 LYS H 5.000 2.500 6.000 4.103 3.882 4.531 . 0 0 "[ . 1 . 2]" 1
236 1 33 GLU HA 1 36 ARG HB3 3.500 . 4.500 4.047 3.592 4.416 . 0 0 "[ . 1 . 2]" 1
237 1 33 GLU HA 1 36 ARG H 3.500 . 4.500 3.451 3.255 3.721 . 0 0 "[ . 1 . 2]" 1
238 1 33 GLU HA 1 37 ALA H 5.000 2.500 6.000 3.638 3.087 3.972 . 0 0 "[ . 1 . 2]" 1
239 1 33 GLU QB 1 44 PHE QE 3.500 . 4.500 2.630 2.000 3.473 . 0 0 "[ . 1 . 2]" 1
240 1 33 GLU QB 1 44 PHE HZ 5.000 2.500 6.000 3.607 3.035 4.257 . 0 0 "[ . 1 . 2]" 1
241 1 33 GLU QG 1 44 PHE QD 3.500 . 4.500 4.185 3.785 4.501 0.001 7 0 "[ . 1 . 2]" 1
242 1 33 GLU HG3 1 44 PHE QE 3.500 . 4.500 3.258 2.415 4.269 . 0 0 "[ . 1 . 2]" 1
243 1 33 GLU HG2 1 44 PHE QE 3.500 . 4.500 2.830 2.229 4.077 . 0 0 "[ . 1 . 2]" 1
244 1 33 GLU QB 1 84 LEU QD 2.000 . 2.800 2.291 2.018 2.798 . 0 0 "[ . 1 . 2]" 1
245 1 33 GLU QG 1 84 LEU QD 2.500 . 3.500 2.055 1.846 2.562 . 0 0 "[ . 1 . 2]" 1
246 1 33 GLU HG3 1 84 LEU QD 2.500 . 3.500 3.253 2.161 3.501 0.001 15 0 "[ . 1 . 2]" 1
247 1 33 GLU HG2 1 84 LEU QD 2.500 . 3.500 2.206 1.857 3.506 0.006 7 0 "[ . 1 . 2]" 1
248 1 33 GLU QG 1 91 ARG QD 3.500 . 4.500 3.467 2.619 4.270 . 0 0 "[ . 1 . 2]" 1
249 1 33 GLU HB3 1 95 TYR HH 5.000 2.500 6.000 4.668 3.818 5.531 . 0 0 "[ . 1 . 2]" 1
250 1 33 GLU HB2 1 95 TYR HH 5.000 2.500 6.000 5.596 4.943 6.003 0.003 19 0 "[ . 1 . 2]" 1
251 1 33 GLU QG 1 95 TYR HH 3.500 . 4.500 3.043 2.463 3.685 . 0 0 "[ . 1 . 2]" 1
252 1 33 GLU HG3 1 95 TYR QE 5.000 2.500 6.000 4.204 3.512 5.161 . 0 0 "[ . 1 . 2]" 1
253 1 33 GLU HG2 1 95 TYR QE 5.000 2.500 6.000 4.634 4.037 5.098 . 0 0 "[ . 1 . 2]" 1
254 1 34 LEU HA 1 35 LYS H 3.500 . 4.500 3.520 3.490 3.570 . 0 0 "[ . 1 . 2]" 1
255 1 34 LEU HB3 1 35 LYS H 3.500 . 4.500 3.422 2.834 3.759 . 0 0 "[ . 1 . 2]" 1
256 1 34 LEU HB2 1 35 LYS H 2.500 . 3.500 2.804 2.489 3.006 . 0 0 "[ . 1 . 2]" 1
257 1 34 LEU MD1 1 35 LYS H 5.000 2.500 6.000 4.604 4.267 4.832 . 0 0 "[ . 1 . 2]" 1
258 1 34 LEU MD2 1 35 LYS H 5.000 2.500 6.000 4.665 4.210 4.861 . 0 0 "[ . 1 . 2]" 1
259 1 34 LEU H 1 35 LYS H 2.500 . 3.500 2.636 2.476 2.844 . 0 0 "[ . 1 . 2]" 1
260 1 34 LEU HA 1 36 ARG H 5.000 2.500 6.000 4.471 4.097 4.930 . 0 0 "[ . 1 . 2]" 1
261 1 34 LEU H 1 36 ARG H 5.000 2.500 6.000 4.053 3.862 4.395 . 0 0 "[ . 1 . 2]" 1
262 1 34 LEU HA 1 37 ALA MB 5.000 2.500 6.000 3.097 2.639 3.903 . 0 0 "[ . 1 . 2]" 1
263 1 34 LEU HA 1 37 ALA H 5.000 2.500 6.000 3.821 3.270 4.449 . 0 0 "[ . 1 . 2]" 1
264 1 34 LEU HA 1 38 GLY H 5.000 2.500 6.000 3.483 3.078 4.159 . 0 0 "[ . 1 . 2]" 1
265 1 34 LEU HA 1 39 ILE MD 3.500 . 4.500 3.997 3.422 4.301 . 0 0 "[ . 1 . 2]" 1
266 1 34 LEU HA 1 39 ILE QG 3.500 . 4.500 3.167 2.738 3.441 . 0 0 "[ . 1 . 2]" 1
267 1 34 LEU HA 1 39 ILE MG 5.000 2.500 6.000 5.159 4.863 5.371 . 0 0 "[ . 1 . 2]" 1
268 1 34 LEU HA 1 39 ILE H 3.500 . 4.500 3.627 3.051 4.009 . 0 0 "[ . 1 . 2]" 1
269 1 34 LEU QD 1 39 ILE MD 5.000 2.500 6.000 2.880 2.543 3.276 . 0 0 "[ . 1 . 2]" 1
270 1 34 LEU QD 1 39 ILE QG 2.500 . 3.500 2.246 1.870 2.488 . 0 0 "[ . 1 . 2]" 1
271 1 34 LEU QD 1 39 ILE MG 3.500 . 4.500 4.391 4.037 4.502 0.002 2 0 "[ . 1 . 2]" 1
272 1 34 LEU QD 1 39 ILE H 5.000 2.500 6.000 3.294 2.849 3.618 . 0 0 "[ . 1 . 2]" 1
273 1 34 LEU QD 1 40 SER HA 5.000 2.500 6.000 3.974 3.368 4.517 . 0 0 "[ . 1 . 2]" 1
274 1 34 LEU QD 1 41 GLN HA 2.500 . 3.500 2.657 2.118 3.114 . 0 0 "[ . 1 . 2]" 1
275 1 34 LEU QD 1 41 GLN QE 3.500 . 4.500 3.320 2.097 4.184 . 0 0 "[ . 1 . 2]" 1
276 1 34 LEU MD1 1 41 GLN QG 3.500 . 4.500 2.515 2.001 3.217 . 0 0 "[ . 1 . 2]" 1
277 1 34 LEU MD2 1 41 GLN QG 3.500 . 4.500 3.137 2.485 4.007 . 0 0 "[ . 1 . 2]" 1
278 1 34 LEU HA 1 44 PHE QD 5.000 2.500 6.000 4.090 3.628 4.604 . 0 0 "[ . 1 . 2]" 1
279 1 34 LEU QD 1 44 PHE HB3 2.500 . 3.500 2.640 2.188 3.215 . 0 0 "[ . 1 . 2]" 1
280 1 34 LEU QD 1 44 PHE HB2 2.500 . 3.500 2.330 2.041 2.911 . 0 0 "[ . 1 . 2]" 1
281 1 34 LEU QD 1 44 PHE QD 3.500 . 4.500 2.642 2.159 3.461 . 0 0 "[ . 1 . 2]" 1
282 1 34 LEU QD 1 44 PHE QE 5.000 2.500 6.000 3.642 2.837 4.254 . 0 0 "[ . 1 . 2]" 1
283 1 34 LEU QD 1 44 PHE H 3.500 . 4.500 3.841 3.511 4.500 0.000 10 0 "[ . 1 . 2]" 1
284 1 34 LEU HG 1 44 PHE QD 3.500 . 4.500 3.719 3.033 4.503 0.003 7 0 "[ . 1 . 2]" 1
285 1 34 LEU QD 1 45 ALA H 5.000 2.500 6.000 4.635 4.107 5.484 . 0 0 "[ . 1 . 2]" 1
286 1 34 LEU QD 1 56 LEU QD 2.500 . 3.500 2.721 2.124 3.208 . 0 0 "[ . 1 . 2]" 1
287 1 34 LEU QD 1 60 LEU QD 2.500 . 3.500 3.097 2.379 3.502 0.002 7 0 "[ . 1 . 2]" 1
288 1 35 LYS HA 1 36 ARG H 3.500 . 4.500 3.517 3.491 3.561 . 0 0 "[ . 1 . 2]" 1
289 1 35 LYS QG 1 36 ARG H 3.500 . 4.500 4.084 2.177 4.425 . 0 0 "[ . 1 . 2]" 1
290 1 35 LYS H 1 36 ARG H 2.500 . 3.500 2.499 2.249 2.723 . 0 0 "[ . 1 . 2]" 1
291 1 35 LYS H 1 37 ALA H 5.000 2.500 6.000 4.163 3.753 4.761 . 0 0 "[ . 1 . 2]" 1
292 1 35 LYS HA 1 38 GLY H 3.500 . 4.500 3.927 3.342 4.244 . 0 0 "[ . 1 . 2]" 1
293 1 36 ARG HA 1 37 ALA H 3.500 . 4.500 3.536 3.492 3.572 . 0 0 "[ . 1 . 2]" 1
294 1 36 ARG HB3 1 37 ALA HA 5.000 2.500 6.000 4.105 3.849 4.517 . 0 0 "[ . 1 . 2]" 1
295 1 36 ARG HB2 1 37 ALA H 3.500 . 4.500 2.693 2.384 3.107 . 0 0 "[ . 1 . 2]" 1
296 1 36 ARG H 1 37 ALA H 3.500 . 4.500 2.622 2.346 2.962 . 0 0 "[ . 1 . 2]" 1
297 1 36 ARG H 1 38 GLY H 5.000 2.500 6.000 4.118 3.687 4.731 . 0 0 "[ . 1 . 2]" 1
298 1 37 ALA HA 1 38 GLY H 3.500 . 4.500 3.546 3.494 3.575 . 0 0 "[ . 1 . 2]" 1
299 1 37 ALA MB 1 38 GLY H 3.500 . 4.500 2.458 2.007 2.822 . 0 0 "[ . 1 . 2]" 1
300 1 37 ALA H 1 38 GLY H 2.500 . 3.500 2.646 2.314 2.889 . 0 0 "[ . 1 . 2]" 1
301 1 37 ALA MB 1 39 ILE MD 2.500 . 3.500 2.952 2.462 3.325 . 0 0 "[ . 1 . 2]" 1
302 1 37 ALA MB 1 39 ILE QG 2.500 . 3.500 2.318 1.956 2.814 . 0 0 "[ . 1 . 2]" 1
303 1 37 ALA MB 1 39 ILE MG 2.500 . 3.500 2.696 1.956 3.018 . 0 0 "[ . 1 . 2]" 1
304 1 37 ALA MB 1 39 ILE H 3.500 . 4.500 3.290 2.716 3.945 . 0 0 "[ . 1 . 2]" 1
305 1 37 ALA H 1 39 ILE H 5.000 2.500 6.000 4.923 4.137 5.399 . 0 0 "[ . 1 . 2]" 1
306 1 37 ALA HA 1 95 TYR QE 5.000 2.500 6.000 5.417 4.462 6.001 0.001 16 0 "[ . 1 . 2]" 1
307 1 37 ALA MB 1 95 TYR QD 3.500 . 4.500 3.784 3.051 4.152 . 0 0 "[ . 1 . 2]" 1
308 1 37 ALA MB 1 95 TYR QE 2.500 . 3.500 3.331 2.722 3.503 0.003 2 0 "[ . 1 . 2]" 1
309 1 37 ALA MB 1 95 TYR HH 5.000 2.500 6.000 4.017 3.071 4.787 . 0 0 "[ . 1 . 2]" 1
310 1 38 GLY QA 1 39 ILE HA 3.500 . 4.500 3.984 3.955 4.037 . 0 0 "[ . 1 . 2]" 1
311 1 38 GLY QA 1 39 ILE H 3.500 . 4.500 2.573 2.392 2.814 . 0 0 "[ . 1 . 2]" 1
312 1 38 GLY H 1 39 ILE QG 3.500 . 4.500 3.453 3.196 3.802 . 0 0 "[ . 1 . 2]" 1
313 1 38 GLY H 1 39 ILE MG 5.000 2.500 6.000 4.068 3.798 4.344 . 0 0 "[ . 1 . 2]" 1
314 1 38 GLY H 1 39 ILE H 2.500 . 3.500 2.622 2.167 2.959 . 0 0 "[ . 1 . 2]" 1
315 1 39 ILE HA 1 40 SER H 2.500 . 3.500 2.452 2.329 2.593 . 0 0 "[ . 1 . 2]" 1
316 1 39 ILE HB 1 40 SER H 3.500 . 4.500 2.278 1.998 2.570 0.002 5 0 "[ . 1 . 2]" 1
317 1 39 ILE MD 1 40 SER H 5.000 2.500 6.000 4.074 3.627 4.476 . 0 0 "[ . 1 . 2]" 1
318 1 39 ILE QG 1 40 SER H 5.000 2.500 6.000 3.609 3.284 3.898 . 0 0 "[ . 1 . 2]" 1
319 1 39 ILE MG 1 40 SER H 3.500 . 4.500 3.528 3.393 3.642 . 0 0 "[ . 1 . 2]" 1
320 1 39 ILE HB 1 43 VAL HB 3.500 . 4.500 2.781 2.311 2.959 . 0 0 "[ . 1 . 2]" 1
321 1 39 ILE HB 1 43 VAL MG1 3.500 . 4.500 3.440 3.053 3.767 . 0 0 "[ . 1 . 2]" 1
322 1 39 ILE HB 1 43 VAL MG2 3.500 . 4.500 3.236 2.921 3.470 . 0 0 "[ . 1 . 2]" 1
323 1 39 ILE MD 1 43 VAL HB 3.500 . 4.500 2.674 2.208 3.135 . 0 0 "[ . 1 . 2]" 1
324 1 39 ILE MD 1 43 VAL MG1 2.500 . 3.500 2.776 2.453 3.060 . 0 0 "[ . 1 . 2]" 1
325 1 39 ILE MD 1 43 VAL MG2 3.500 . 4.500 3.894 3.530 4.243 . 0 0 "[ . 1 . 2]" 1
326 1 39 ILE QG 1 43 VAL HB 5.000 2.500 6.000 3.928 3.629 4.246 . 0 0 "[ . 1 . 2]" 1
327 1 39 ILE MG 1 43 VAL HB 5.000 2.500 6.000 3.888 3.455 4.050 . 0 0 "[ . 1 . 2]" 1
328 1 39 ILE MG 1 43 VAL MG1 2.500 . 3.500 3.342 2.676 3.503 0.003 10 0 "[ . 1 . 2]" 1
329 1 39 ILE MG 1 43 VAL MG2 3.500 . 4.500 3.857 3.528 4.147 . 0 0 "[ . 1 . 2]" 1
330 1 39 ILE HB 1 44 PHE H 5.000 2.500 6.000 4.297 3.883 4.682 . 0 0 "[ . 1 . 2]" 1
331 1 39 ILE MD 1 44 PHE HA 3.500 . 4.500 2.883 2.535 3.161 . 0 0 "[ . 1 . 2]" 1
332 1 39 ILE MD 1 44 PHE HB3 3.500 . 4.500 3.724 3.395 4.116 . 0 0 "[ . 1 . 2]" 1
333 1 39 ILE MD 1 44 PHE HB2 3.500 . 4.500 2.228 2.000 2.620 0.000 1 0 "[ . 1 . 2]" 1
334 1 39 ILE MD 1 44 PHE QD 2.500 . 3.500 2.147 1.961 2.567 . 0 0 "[ . 1 . 2]" 1
335 1 39 ILE MD 1 44 PHE QE 5.000 2.500 6.000 4.050 3.629 4.538 . 0 0 "[ . 1 . 2]" 1
336 1 39 ILE MD 1 44 PHE H 3.500 . 4.500 2.997 2.249 3.552 . 0 0 "[ . 1 . 2]" 1
337 1 39 ILE QG 1 44 PHE HB2 5.000 2.500 6.000 2.974 2.615 3.424 . 0 0 "[ . 1 . 2]" 1
338 1 39 ILE QG 1 44 PHE QD 3.500 . 4.500 3.437 2.931 3.837 . 0 0 "[ . 1 . 2]" 1
339 1 39 ILE MG 1 44 PHE H 5.000 2.500 6.000 5.317 4.962 5.685 . 0 0 "[ . 1 . 2]" 1
340 1 39 ILE MD 1 95 TYR QB 3.500 . 4.500 3.831 3.184 4.436 . 0 0 "[ . 1 . 2]" 1
341 1 39 ILE MD 1 95 TYR QD 5.000 2.500 6.000 2.668 2.498 2.995 0.002 5 0 "[ . 1 . 2]" 1
342 1 39 ILE MD 1 95 TYR QE 3.500 . 4.500 2.244 2.004 2.507 . 0 0 "[ . 1 . 2]" 1
343 1 39 ILE MD 1 95 TYR HH 5.000 2.500 6.000 3.715 2.871 4.454 . 0 0 "[ . 1 . 2]" 1
344 1 39 ILE QG 1 95 TYR HH 5.000 2.500 6.000 5.199 4.245 5.756 . 0 0 "[ . 1 . 2]" 1
345 1 39 ILE MG 1 95 TYR QB 3.500 . 4.500 3.235 2.334 3.733 . 0 0 "[ . 1 . 2]" 1
346 1 39 ILE MG 1 95 TYR QE 3.500 . 4.500 4.133 3.765 4.399 . 0 0 "[ . 1 . 2]" 1
347 1 40 SER HA 1 41 GLN H 3.500 . 4.500 2.313 2.274 2.377 . 0 0 "[ . 1 . 2]" 1
348 1 40 SER QB 1 41 GLN H 5.000 2.500 6.000 2.793 2.499 3.251 0.001 4 0 "[ . 1 . 2]" 1
349 1 40 SER HA 1 42 ALA H 5.000 2.500 6.000 4.097 4.025 4.205 . 0 0 "[ . 1 . 2]" 1
350 1 40 SER QB 1 42 ALA MB 3.500 . 4.500 2.846 2.552 3.223 . 0 0 "[ . 1 . 2]" 1
351 1 40 SER QB 1 43 VAL MG2 5.000 2.500 6.000 2.694 2.496 3.674 0.004 11 0 "[ . 1 . 2]" 1
352 1 40 SER QB 1 43 VAL H 3.500 . 4.500 2.924 2.581 3.847 . 0 0 "[ . 1 . 2]" 1
353 1 40 SER H 1 43 VAL HB 5.000 2.500 6.000 3.513 3.230 3.825 . 0 0 "[ . 1 . 2]" 1
354 1 40 SER H 1 43 VAL MG2 5.000 2.500 6.000 2.907 2.604 3.272 . 0 0 "[ . 1 . 2]" 1
355 1 40 SER H 1 43 VAL H 5.000 2.500 6.000 4.133 3.929 4.445 . 0 0 "[ . 1 . 2]" 1
356 1 41 GLN HA 1 42 ALA H 5.000 2.500 6.000 3.490 3.477 3.508 . 0 0 "[ . 1 . 2]" 1
357 1 41 GLN QB 1 42 ALA H 2.500 . 3.500 2.857 2.780 2.925 . 0 0 "[ . 1 . 2]" 1
358 1 41 GLN HA 1 43 VAL H 5.000 2.500 6.000 4.248 3.887 4.466 . 0 0 "[ . 1 . 2]" 1
359 1 41 GLN HA 1 44 PHE HB3 2.500 . 3.500 2.677 2.287 3.035 . 0 0 "[ . 1 . 2]" 1
360 1 41 GLN HA 1 44 PHE H 3.500 . 4.500 3.385 3.206 3.557 . 0 0 "[ . 1 . 2]" 1
361 1 41 GLN HA 1 45 ALA H 5.000 2.500 6.000 3.715 3.381 4.021 . 0 0 "[ . 1 . 2]" 1
362 1 41 GLN HA 1 56 LEU QD 2.500 . 3.500 3.161 2.582 3.501 0.001 4 0 "[ . 1 . 2]" 1
363 1 41 GLN QB 1 56 LEU QD 2.500 . 3.500 2.753 1.899 3.501 0.001 13 0 "[ . 1 . 2]" 1
364 1 41 GLN QE 1 56 LEU HG 5.000 2.500 6.000 5.269 4.206 6.002 0.002 3 0 "[ . 1 . 2]" 1
365 1 41 GLN HG3 1 56 LEU QD 2.500 . 3.500 2.829 1.846 3.501 0.001 5 0 "[ . 1 . 2]" 1
366 1 41 GLN HG2 1 56 LEU QD 2.500 . 3.500 2.004 1.830 2.355 . 0 0 "[ . 1 . 2]" 1
367 1 41 GLN QE 1 57 SER HA 5.000 2.500 6.000 3.585 2.668 5.107 . 0 0 "[ . 1 . 2]" 1
368 1 41 GLN QE 1 60 LEU QD 5.000 2.500 6.000 3.355 2.539 4.379 . 0 0 "[ . 1 . 2]" 1
369 1 42 ALA HA 1 43 VAL H 5.000 2.500 6.000 3.534 3.482 3.560 . 0 0 "[ . 1 . 2]" 1
370 1 42 ALA MB 1 43 VAL H 2.500 . 3.500 2.589 2.443 2.855 . 0 0 "[ . 1 . 2]" 1
371 1 42 ALA H 1 43 VAL H 3.500 . 4.500 2.719 2.655 2.792 . 0 0 "[ . 1 . 2]" 1
372 1 42 ALA HA 1 45 ALA MB 2.500 . 3.500 2.931 2.670 3.117 . 0 0 "[ . 1 . 2]" 1
373 1 42 ALA HA 1 45 ALA H 5.000 2.500 6.000 3.819 3.595 4.001 . 0 0 "[ . 1 . 2]" 1
374 1 42 ALA HA 1 46 ARG H 5.000 2.500 6.000 4.251 3.948 4.607 . 0 0 "[ . 1 . 2]" 1
375 1 42 ALA HA 1 53 GLN QG 5.000 2.500 6.000 3.420 2.493 5.053 0.007 3 0 "[ . 1 . 2]" 1
376 1 43 VAL HA 1 44 PHE H 5.000 2.500 6.000 3.544 3.494 3.571 . 0 0 "[ . 1 . 2]" 1
377 1 43 VAL HB 1 44 PHE HA 3.500 . 4.500 4.131 4.072 4.223 . 0 0 "[ . 1 . 2]" 1
378 1 43 VAL HB 1 44 PHE HB2 5.000 2.500 6.000 4.094 3.854 4.279 . 0 0 "[ . 1 . 2]" 1
379 1 43 VAL HB 1 44 PHE H 2.500 . 3.500 2.499 2.154 2.843 . 0 0 "[ . 1 . 2]" 1
380 1 43 VAL MG1 1 44 PHE H 3.500 . 4.500 3.536 3.299 3.810 . 0 0 "[ . 1 . 2]" 1
381 1 43 VAL MG2 1 44 PHE H 5.000 2.500 6.000 3.682 3.551 3.788 . 0 0 "[ . 1 . 2]" 1
382 1 43 VAL H 1 44 PHE H 3.500 . 4.500 2.585 2.452 2.768 . 0 0 "[ . 1 . 2]" 1
383 1 43 VAL HA 1 45 ALA H 5.000 2.500 6.000 4.410 4.065 4.853 . 0 0 "[ . 1 . 2]" 1
384 1 43 VAL H 1 45 ALA H 5.000 2.500 6.000 4.002 3.576 4.301 . 0 0 "[ . 1 . 2]" 1
385 1 43 VAL HA 1 46 ARG HB3 3.500 . 4.500 3.174 2.613 3.927 . 0 0 "[ . 1 . 2]" 1
386 1 43 VAL HA 1 46 ARG H 3.500 . 4.500 3.512 3.240 3.765 . 0 0 "[ . 1 . 2]" 1
387 1 43 VAL HA 1 47 VAL H 5.000 2.500 6.000 4.081 3.713 4.400 . 0 0 "[ . 1 . 2]" 1
388 1 43 VAL MG1 1 47 VAL MG2 2.500 . 3.500 3.045 2.627 3.499 . 0 0 "[ . 1 . 2]" 1
389 1 43 VAL MG1 1 47 VAL H 5.000 2.500 6.000 3.940 3.652 4.447 . 0 0 "[ . 1 . 2]" 1
390 1 43 VAL MG1 1 95 TYR HA 3.500 . 4.500 3.446 2.443 4.375 . 0 0 "[ . 1 . 2]" 1
391 1 43 VAL MG1 1 95 TYR QD 3.500 . 4.500 2.869 2.000 3.979 . 8 0 "[ . 1 . 2]" 1
392 1 43 VAL MG1 1 95 TYR QE 3.500 . 4.500 3.691 2.661 4.502 0.002 14 0 "[ . 1 . 2]" 1
393 1 44 PHE HA 1 45 ALA H 3.500 . 4.500 3.522 3.468 3.562 . 0 0 "[ . 1 . 2]" 1
394 1 44 PHE HB3 1 45 ALA H 3.500 . 4.500 2.654 2.363 2.980 . 0 0 "[ . 1 . 2]" 1
395 1 44 PHE HB2 1 45 ALA H 3.500 . 4.500 3.855 3.649 4.049 . 0 0 "[ . 1 . 2]" 1
396 1 44 PHE QD 1 45 ALA HA 2.500 . 3.500 3.100 2.720 3.493 . 0 0 "[ . 1 . 2]" 1
397 1 44 PHE QD 1 45 ALA H 3.500 . 4.500 3.557 3.139 4.031 . 0 0 "[ . 1 . 2]" 1
398 1 44 PHE H 1 45 ALA H 3.500 . 4.500 2.668 2.512 2.798 . 0 0 "[ . 1 . 2]" 1
399 1 44 PHE H 1 46 ARG H 5.000 2.500 6.000 4.087 3.798 4.543 . 0 0 "[ . 1 . 2]" 1
400 1 44 PHE HA 1 47 VAL MG2 2.500 . 3.500 2.015 1.879 2.371 . 0 0 "[ . 1 . 2]" 1
401 1 44 PHE HA 1 47 VAL H 5.000 2.500 6.000 3.662 3.443 3.916 . 0 0 "[ . 1 . 2]" 1
402 1 44 PHE HA 1 48 ALA MB 5.000 2.500 6.000 3.964 3.778 4.170 . 0 0 "[ . 1 . 2]" 1
403 1 44 PHE HA 1 48 ALA H 3.500 . 4.500 3.847 3.644 4.083 . 0 0 "[ . 1 . 2]" 1
404 1 44 PHE QD 1 48 ALA MB 2.500 . 3.500 2.961 2.440 3.351 . 0 0 "[ . 1 . 2]" 1
405 1 44 PHE QE 1 48 ALA MB 3.500 . 4.500 2.900 2.357 3.434 . 0 0 "[ . 1 . 2]" 1
406 1 44 PHE HZ 1 48 ALA MB 3.500 . 4.500 3.999 3.649 4.467 . 0 0 "[ . 1 . 2]" 1
407 1 44 PHE HB2 1 56 LEU QD 5.000 2.500 6.000 4.259 3.660 4.803 . 0 0 "[ . 1 . 2]" 1
408 1 44 PHE QD 1 56 LEU QD 2.000 . 2.800 2.172 1.872 2.801 0.001 2 0 "[ . 1 . 2]" 1
409 1 44 PHE QD 1 56 LEU HG 5.000 2.500 6.000 4.615 4.067 5.580 . 0 0 "[ . 1 . 2]" 1
410 1 44 PHE QE 1 56 LEU QD 3.500 . 4.500 3.131 2.427 3.737 . 0 0 "[ . 1 . 2]" 1
411 1 44 PHE QE 1 80 MET ME 5.000 2.500 6.000 3.964 2.811 4.553 . 0 0 "[ . 1 . 2]" 1
412 1 44 PHE QE 1 80 MET QG 3.500 . 4.500 2.889 2.066 4.064 . 0 0 "[ . 1 . 2]" 1
413 1 44 PHE HA 1 83 PHE QD 5.000 2.500 6.000 5.301 4.850 5.995 . 0 0 "[ . 1 . 2]" 1
414 1 44 PHE HA 1 83 PHE QE 5.000 2.500 6.000 4.034 3.565 4.776 . 0 0 "[ . 1 . 2]" 1
415 1 44 PHE QD 1 83 PHE QE 3.500 . 4.500 3.781 3.089 4.499 . 0 0 "[ . 1 . 2]" 1
416 1 44 PHE QE 1 83 PHE QD 3.500 . 4.500 3.686 3.217 4.130 . 0 0 "[ . 1 . 2]" 1
417 1 44 PHE QE 1 83 PHE QE 3.500 . 4.500 3.629 2.770 4.338 . 0 0 "[ . 1 . 2]" 1
418 1 44 PHE HZ 1 83 PHE QD 5.000 2.500 6.000 3.646 2.968 4.331 . 0 0 "[ . 1 . 2]" 1
419 1 44 PHE QE 1 84 LEU QD 2.500 . 3.500 2.984 2.608 3.496 . 0 0 "[ . 1 . 2]" 1
420 1 44 PHE HZ 1 84 LEU QD 3.500 . 4.500 2.538 2.024 2.898 . 0 0 "[ . 1 . 2]" 1
421 1 44 PHE HZ 1 84 LEU HG 5.000 2.500 6.000 2.987 2.538 3.616 . 0 0 "[ . 1 . 2]" 1
422 1 44 PHE HA 1 95 TYR QE 3.500 . 4.500 2.997 2.440 3.710 . 0 0 "[ . 1 . 2]" 1
423 1 44 PHE HA 1 95 TYR HH 5.000 2.500 6.000 5.292 4.606 5.930 . 0 0 "[ . 1 . 2]" 1
424 1 44 PHE QD 1 95 TYR QE 3.500 . 4.500 3.198 2.771 3.582 . 0 0 "[ . 1 . 2]" 1
425 1 44 PHE QD 1 95 TYR HH 5.000 2.500 6.000 3.497 2.538 4.643 . 0 0 "[ . 1 . 2]" 1
426 1 44 PHE QE 1 95 TYR QE 3.500 . 4.500 4.295 3.980 4.469 . 0 0 "[ . 1 . 2]" 1
427 1 44 PHE QE 1 95 TYR HH 5.000 2.500 6.000 3.016 2.510 3.833 . 0 0 "[ . 1 . 2]" 1
428 1 45 ALA HA 1 46 ARG H 3.500 . 4.500 3.510 3.486 3.571 . 0 0 "[ . 1 . 2]" 1
429 1 45 ALA MB 1 46 ARG H 2.500 . 3.500 2.702 2.227 2.866 . 0 0 "[ . 1 . 2]" 1
430 1 45 ALA H 1 46 ARG H 3.500 . 4.500 2.575 2.361 2.702 . 0 0 "[ . 1 . 2]" 1
431 1 45 ALA H 1 47 VAL H 5.000 2.500 6.000 4.275 3.856 4.772 . 0 0 "[ . 1 . 2]" 1
432 1 45 ALA HA 1 48 ALA MB 3.500 . 4.500 2.509 2.223 2.913 . 0 0 "[ . 1 . 2]" 1
433 1 45 ALA HA 1 48 ALA H 5.000 2.500 6.000 3.569 3.242 3.748 . 0 0 "[ . 1 . 2]" 1
434 1 45 ALA HA 1 49 PHE QE 2.500 . 3.500 2.909 2.186 3.302 . 0 0 "[ . 1 . 2]" 1
435 1 45 ALA HA 1 49 PHE H 5.000 2.500 6.000 3.209 2.842 3.564 . 0 0 "[ . 1 . 2]" 1
436 1 45 ALA HA 1 49 PHE HZ 5.000 2.500 6.000 4.049 3.553 4.638 . 0 0 "[ . 1 . 2]" 1
437 1 45 ALA MB 1 49 PHE QD 3.500 . 4.500 4.216 3.857 4.503 0.003 10 0 "[ . 1 . 2]" 1
438 1 45 ALA MB 1 49 PHE QE 3.500 . 4.500 3.308 2.501 3.968 . 0 0 "[ . 1 . 2]" 1
439 1 45 ALA MB 1 49 PHE HZ 3.500 . 4.500 3.259 2.612 4.307 . 0 0 "[ . 1 . 2]" 1
440 1 45 ALA HA 1 56 LEU HB2 3.500 . 4.500 3.948 3.479 4.339 . 0 0 "[ . 1 . 2]" 1
441 1 45 ALA HA 1 56 LEU QD 3.500 . 4.500 2.394 1.999 2.919 0.001 6 0 "[ . 1 . 2]" 1
442 1 45 ALA MB 1 56 LEU HB2 2.500 . 3.500 2.420 1.946 3.352 . 0 0 "[ . 1 . 2]" 1
443 1 45 ALA H 1 56 LEU QD 3.500 . 4.500 3.126 2.468 3.753 . 0 0 "[ . 1 . 2]" 1
444 1 46 ARG HA 1 47 VAL H 3.500 . 4.500 3.544 3.491 3.571 . 0 0 "[ . 1 . 2]" 1
445 1 46 ARG HB3 1 47 VAL H 3.500 . 4.500 2.499 2.109 2.967 . 0 0 "[ . 1 . 2]" 1
446 1 46 ARG HB2 1 47 VAL H 3.500 . 4.500 3.591 3.208 3.858 . 0 0 "[ . 1 . 2]" 1
447 1 46 ARG QG 1 47 VAL H 5.000 2.500 6.000 3.972 3.500 4.474 . 0 0 "[ . 1 . 2]" 1
448 1 46 ARG H 1 47 VAL H 3.500 . 4.500 2.632 2.377 2.890 . 0 0 "[ . 1 . 2]" 1
449 1 46 ARG HA 1 48 ALA H 3.500 . 4.500 4.388 4.183 4.502 0.002 5 0 "[ . 1 . 2]" 1
450 1 46 ARG H 1 48 ALA H 5.000 2.500 6.000 3.836 3.649 4.045 . 0 0 "[ . 1 . 2]" 1
451 1 46 ARG HA 1 49 PHE H 5.000 2.500 6.000 4.254 3.847 4.526 . 0 0 "[ . 1 . 2]" 1
452 1 46 ARG HA 1 50 ASN HA 3.500 . 4.500 2.929 2.527 3.376 . 0 0 "[ . 1 . 2]" 1
453 1 46 ARG QG 1 50 ASN HA 3.500 . 4.500 3.745 3.148 4.253 . 0 0 "[ . 1 . 2]" 1
454 1 46 ARG HA 1 51 ARG H 3.500 . 4.500 4.091 3.262 4.500 . 0 0 "[ . 1 . 2]" 1
455 1 47 VAL HA 1 48 ALA H 3.500 . 4.500 3.500 3.476 3.531 . 0 0 "[ . 1 . 2]" 1
456 1 47 VAL HB 1 48 ALA H 5.000 2.500 6.000 3.809 3.661 3.903 . 0 0 "[ . 1 . 2]" 1
457 1 47 VAL MG2 1 48 ALA HA 3.500 . 4.500 3.378 3.218 3.619 . 0 0 "[ . 1 . 2]" 1
458 1 47 VAL MG2 1 48 ALA MB 3.500 . 4.500 2.909 2.790 3.021 . 0 0 "[ . 1 . 2]" 1
459 1 47 VAL MG2 1 48 ALA H 2.500 . 3.500 2.070 1.968 2.219 . 0 0 "[ . 1 . 2]" 1
460 1 47 VAL H 1 48 ALA MB 5.000 2.500 6.000 4.206 4.001 4.368 . 0 0 "[ . 1 . 2]" 1
461 1 47 VAL H 1 48 ALA H 2.500 . 3.500 2.503 2.274 2.705 . 0 0 "[ . 1 . 2]" 1
462 1 47 VAL HB 1 83 PHE QE 3.500 . 4.500 3.038 2.404 3.680 . 0 0 "[ . 1 . 2]" 1
463 1 47 VAL MG1 1 83 PHE QE 3.500 . 4.500 3.906 3.489 4.283 . 0 0 "[ . 1 . 2]" 1
464 1 47 VAL MG1 1 83 PHE HZ 5.000 2.500 6.000 3.533 3.072 4.015 . 0 0 "[ . 1 . 2]" 1
465 1 47 VAL MG2 1 83 PHE QD 3.500 . 4.500 3.511 3.225 3.870 . 0 0 "[ . 1 . 2]" 1
466 1 47 VAL MG2 1 83 PHE QE 3.500 . 4.500 2.491 2.173 2.911 . 0 0 "[ . 1 . 2]" 1
467 1 47 VAL MG2 1 83 PHE HZ 2.500 . 3.500 2.577 2.245 3.087 . 0 0 "[ . 1 . 2]" 1
468 1 47 VAL HA 1 94 ILE MG 3.500 . 4.500 3.639 2.859 4.181 . 0 0 "[ . 1 . 2]" 1
469 1 47 VAL HB 1 94 ILE MG 2.500 . 3.500 2.343 1.947 2.879 . 0 0 "[ . 1 . 2]" 1
470 1 47 VAL MG2 1 94 ILE MG 2.500 . 3.500 3.317 3.093 3.505 0.005 1 0 "[ . 1 . 2]" 1
471 1 47 VAL MG1 1 95 TYR HA 3.500 . 4.500 3.608 2.401 4.415 . 0 0 "[ . 1 . 2]" 1
472 1 47 VAL MG1 1 95 TYR QE 5.000 2.500 6.000 3.775 3.125 4.363 . 0 0 "[ . 1 . 2]" 1
473 1 47 VAL MG2 1 95 TYR HA 5.000 2.500 6.000 4.581 3.717 5.265 . 0 0 "[ . 1 . 2]" 1
474 1 47 VAL MG2 1 95 TYR QD 3.500 . 4.500 3.461 2.663 4.175 . 0 0 "[ . 1 . 2]" 1
475 1 47 VAL MG2 1 95 TYR QE 2.500 . 3.500 2.427 1.926 3.146 . 0 0 "[ . 1 . 2]" 1
476 1 48 ALA HA 1 49 PHE QD 5.000 2.500 6.000 4.062 3.834 4.326 . 0 0 "[ . 1 . 2]" 1
477 1 48 ALA HA 1 49 PHE H 5.000 2.500 6.000 3.565 3.543 3.573 . 0 0 "[ . 1 . 2]" 1
478 1 48 ALA MB 1 49 PHE HB3 5.000 2.500 6.000 3.646 3.535 3.773 . 0 0 "[ . 1 . 2]" 1
479 1 48 ALA MB 1 49 PHE QE 5.000 2.500 6.000 2.903 2.628 3.198 . 0 0 "[ . 1 . 2]" 1
480 1 48 ALA MB 1 49 PHE H 3.500 . 4.500 2.116 1.997 2.538 0.003 14 0 "[ . 1 . 2]" 1
481 1 48 ALA H 1 49 PHE QD 3.500 . 4.500 4.328 3.927 4.500 . 0 0 "[ . 1 . 2]" 1
482 1 48 ALA H 1 49 PHE H 2.500 . 3.500 2.800 2.473 3.007 . 0 0 "[ . 1 . 2]" 1
483 1 48 ALA H 1 50 ASN H 5.000 2.500 6.000 5.760 5.122 6.003 0.003 7 0 "[ . 1 . 2]" 1
484 1 48 ALA MB 1 80 MET HA 2.500 . 3.500 2.565 2.175 2.933 . 0 0 "[ . 1 . 2]" 1
485 1 48 ALA MB 1 80 MET QB 3.500 . 4.500 3.628 3.198 4.050 . 0 0 "[ . 1 . 2]" 1
486 1 48 ALA MB 1 80 MET QG 2.500 . 3.500 2.107 1.826 2.732 . 0 0 "[ . 1 . 2]" 1
487 1 48 ALA MB 1 80 MET H 5.000 2.500 6.000 4.240 3.794 4.671 . 0 0 "[ . 1 . 2]" 1
488 1 48 ALA MB 1 83 PHE HB3 3.500 . 4.500 3.505 3.192 3.961 . 0 0 "[ . 1 . 2]" 1
489 1 48 ALA MB 1 83 PHE QD 2.500 . 3.500 3.148 2.618 3.501 0.001 16 0 "[ . 1 . 2]" 1
490 1 48 ALA MB 1 83 PHE QE 3.500 . 4.500 4.064 3.617 4.405 . 0 0 "[ . 1 . 2]" 1
491 1 48 ALA MB 1 84 LEU HG 5.000 2.500 6.000 5.002 4.696 5.418 . 0 0 "[ . 1 . 2]" 1
492 1 48 ALA MB 1 84 LEU H 5.000 2.500 6.000 5.456 5.072 5.700 . 0 0 "[ . 1 . 2]" 1
493 1 48 ALA MB 1 95 TYR QE 5.000 2.500 6.000 5.428 4.955 5.952 . 0 0 "[ . 1 . 2]" 1
494 1 49 PHE HA 1 50 ASN H 3.500 . 4.500 2.159 2.137 2.255 . 0 0 "[ . 1 . 2]" 1
495 1 49 PHE HB2 1 50 ASN H 5.000 2.500 6.000 3.673 3.472 4.031 . 0 0 "[ . 1 . 2]" 1
496 1 49 PHE H 1 50 ASN HA 5.000 2.500 6.000 4.562 4.258 4.775 . 0 0 "[ . 1 . 2]" 1
497 1 49 PHE H 1 50 ASN H 3.500 . 4.500 3.972 3.485 4.222 . 0 0 "[ . 1 . 2]" 1
498 1 49 PHE QD 1 51 ARG QB 3.500 . 4.500 2.462 2.021 3.054 . 0 0 "[ . 1 . 2]" 1
499 1 49 PHE QE 1 51 ARG QB 3.500 . 4.500 3.350 2.511 3.900 . 0 0 "[ . 1 . 2]" 1
500 1 49 PHE HZ 1 51 ARG QB 5.000 2.500 6.000 5.360 3.907 5.954 . 0 0 "[ . 1 . 2]" 1
501 1 49 PHE QE 1 55 LEU HB3 3.500 . 4.500 2.609 2.182 3.517 . 0 0 "[ . 1 . 2]" 1
502 1 49 PHE QE 1 55 LEU QD 2.500 . 3.500 2.252 1.946 2.809 . 0 0 "[ . 1 . 2]" 1
503 1 49 PHE QE 1 55 LEU HG 3.500 . 4.500 3.830 3.094 4.504 0.004 10 0 "[ . 1 . 2]" 1
504 1 49 PHE QD 1 56 LEU HB2 5.000 2.500 6.000 5.197 4.544 5.707 . 0 0 "[ . 1 . 2]" 1
505 1 49 PHE QE 1 56 LEU HA 5.000 2.500 6.000 3.735 3.391 4.136 . 0 0 "[ . 1 . 2]" 1
506 1 49 PHE QE 1 56 LEU HB2 3.500 . 4.500 3.321 2.246 3.821 . 0 0 "[ . 1 . 2]" 1
507 1 49 PHE QE 1 56 LEU QD 2.500 . 3.500 2.133 1.994 2.697 . 0 0 "[ . 1 . 2]" 1
508 1 49 PHE QE 1 56 LEU MD1 3.500 . 4.500 2.138 1.997 2.723 0.003 1 0 "[ . 1 . 2]" 1
509 1 49 PHE QE 1 56 LEU MD2 3.500 . 4.500 4.338 4.065 4.507 0.007 1 0 "[ . 1 . 2]" 1
510 1 49 PHE HZ 1 56 LEU HA 3.500 . 4.500 2.518 2.015 2.949 . 0 0 "[ . 1 . 2]" 1
511 1 49 PHE HZ 1 56 LEU HB3 3.500 . 4.500 3.828 3.432 4.370 . 0 0 "[ . 1 . 2]" 1
512 1 49 PHE HZ 1 56 LEU HB2 2.500 . 3.500 2.256 1.987 2.735 . 0 0 "[ . 1 . 2]" 1
513 1 49 PHE HZ 1 56 LEU QD 2.500 . 3.500 2.625 1.999 3.357 . 0 0 "[ . 1 . 2]" 1
514 1 49 PHE HZ 1 56 LEU HG 3.500 . 4.500 3.132 2.339 4.378 . 0 0 "[ . 1 . 2]" 1
515 1 49 PHE HZ 1 56 LEU H 3.500 . 4.500 3.368 2.495 4.306 . 0 0 "[ . 1 . 2]" 1
516 1 49 PHE QD 1 59 ILE MD 3.500 . 4.500 4.313 4.072 4.504 0.004 5 0 "[ . 1 . 2]" 1
517 1 49 PHE QE 1 59 ILE MD 3.500 . 4.500 2.957 2.683 3.246 . 0 0 "[ . 1 . 2]" 1
518 1 49 PHE HZ 1 59 ILE MD 2.500 . 3.500 2.813 2.449 3.134 . 0 0 "[ . 1 . 2]" 1
519 1 49 PHE HZ 1 59 ILE MG 5.000 2.500 6.000 5.245 4.341 5.899 . 0 0 "[ . 1 . 2]" 1
520 1 49 PHE HB2 1 76 ASN HA 3.500 . 4.500 3.609 3.133 4.066 . 0 0 "[ . 1 . 2]" 1
521 1 49 PHE QD 1 76 ASN HA 3.500 . 4.500 4.053 3.563 4.479 . 0 0 "[ . 1 . 2]" 1
522 1 49 PHE QD 1 76 ASN HB3 3.500 . 4.500 3.857 3.392 4.502 0.002 1 0 "[ . 1 . 2]" 1
523 1 49 PHE QE 1 76 ASN HB3 3.500 . 4.500 4.046 3.295 4.468 . 0 0 "[ . 1 . 2]" 1
524 1 49 PHE HA 1 79 ALA MB 2.500 . 3.500 3.063 2.640 3.371 . 0 0 "[ . 1 . 2]" 1
525 1 49 PHE HB3 1 79 ALA MB 2.500 . 3.500 2.170 1.929 2.572 . 0 0 "[ . 1 . 2]" 1
526 1 49 PHE HB2 1 79 ALA MB 2.500 . 3.500 3.249 2.939 3.504 0.004 20 0 "[ . 1 . 2]" 1
527 1 49 PHE HB3 1 80 MET H 5.000 2.500 6.000 4.126 3.799 4.402 . 0 0 "[ . 1 . 2]" 1
528 1 49 PHE HB2 1 80 MET H 5.000 2.500 6.000 5.689 5.175 6.001 0.001 3 0 "[ . 1 . 2]" 1
529 1 49 PHE QD 1 80 MET HA 3.500 . 4.500 4.004 3.678 4.383 . 0 0 "[ . 1 . 2]" 1
530 1 49 PHE QD 1 80 MET ME 3.500 . 4.500 3.558 3.020 4.405 . 0 0 "[ . 1 . 2]" 1
531 1 49 PHE QD 1 80 MET QG 2.500 . 3.500 2.437 1.968 3.111 . 0 0 "[ . 1 . 2]" 1
532 1 49 PHE QE 1 80 MET ME 3.500 . 4.500 2.572 2.162 3.636 . 0 0 "[ . 1 . 2]" 1
533 1 49 PHE QE 1 80 MET QG 3.500 . 4.500 2.915 2.421 3.522 . 0 0 "[ . 1 . 2]" 1
534 1 49 PHE HZ 1 80 MET ME 3.500 . 4.500 3.165 2.411 4.292 . 0 0 "[ . 1 . 2]" 1
535 1 50 ASN HA 1 51 ARG H 3.500 . 4.500 2.189 2.140 2.261 . 0 0 "[ . 1 . 2]" 1
536 1 50 ASN QB 1 51 ARG H 5.000 2.500 6.000 3.746 3.329 3.990 . 0 0 "[ . 1 . 2]" 1
537 1 50 ASN H 1 51 ARG H 5.000 2.500 6.000 4.296 4.100 4.528 . 0 0 "[ . 1 . 2]" 1
538 1 51 ARG HA 1 52 THR H 3.500 . 4.500 3.301 2.579 3.570 . 0 0 "[ . 1 . 2]" 1
539 1 51 ARG QB 1 52 THR H 2.500 . 3.500 2.014 1.928 2.246 . 0 0 "[ . 1 . 2]" 1
540 1 51 ARG QG 1 52 THR H 5.000 2.500 6.000 3.416 2.494 4.170 0.006 2 0 "[ . 1 . 2]" 1
541 1 51 ARG QB 1 55 LEU HB3 5.000 2.500 6.000 4.018 3.306 4.556 . 0 0 "[ . 1 . 2]" 1
542 1 51 ARG QB 1 55 LEU QD 2.500 . 3.500 2.717 2.030 3.230 . 0 0 "[ . 1 . 2]" 1
543 1 51 ARG QB 1 55 LEU H 5.000 2.500 6.000 5.515 4.724 6.000 0.000 16 0 "[ . 1 . 2]" 1
544 1 52 THR HA 1 53 GLN H 3.500 . 4.500 2.260 2.139 2.484 . 0 0 "[ . 1 . 2]" 1
545 1 52 THR HB 1 53 GLN HA 5.000 2.500 6.000 4.845 4.369 5.972 . 0 0 "[ . 1 . 2]" 1
546 1 52 THR MG 1 53 GLN H 5.000 2.500 6.000 3.307 2.605 4.023 . 0 0 "[ . 1 . 2]" 1
547 1 52 THR HB 1 55 LEU HB3 5.000 2.500 6.000 4.909 3.393 6.002 0.002 10 0 "[ . 1 . 2]" 1
548 1 52 THR HB 1 55 LEU H 5.000 2.500 6.000 3.954 2.498 6.002 0.002 11 0 "[ . 1 . 2]" 1
549 1 52 THR MG 1 55 LEU H 5.000 2.500 6.000 4.777 2.496 5.990 0.004 6 0 "[ . 1 . 2]" 1
550 1 52 THR H 1 55 LEU HB2 3.500 . 4.500 4.122 3.282 4.501 0.001 5 0 "[ . 1 . 2]" 1
551 1 52 THR H 1 55 LEU QD 3.500 . 4.500 3.584 3.020 4.300 . 0 0 "[ . 1 . 2]" 1
552 1 53 GLN HA 1 55 LEU H 5.000 2.500 6.000 3.634 3.188 4.301 . 0 0 "[ . 1 . 2]" 1
553 1 53 GLN HA 1 56 LEU H 3.500 . 4.500 4.293 3.711 4.506 0.006 11 0 "[ . 1 . 2]" 1
554 1 55 LEU HA 1 56 LEU H 3.500 . 4.500 3.527 3.482 3.567 . 0 0 "[ . 1 . 2]" 1
555 1 55 LEU HB3 1 56 LEU H 2.500 . 3.500 2.631 2.226 2.892 . 0 0 "[ . 1 . 2]" 1
556 1 55 LEU HB2 1 56 LEU H 5.000 2.500 6.000 3.728 3.402 4.024 . 0 0 "[ . 1 . 2]" 1
557 1 55 LEU HG 1 56 LEU H 3.500 . 4.500 4.229 3.831 4.470 . 0 0 "[ . 1 . 2]" 1
558 1 55 LEU H 1 56 LEU H 3.500 . 4.500 2.587 2.161 2.798 . 0 0 "[ . 1 . 2]" 1
559 1 55 LEU H 1 57 SER H 5.000 2.500 6.000 4.124 3.608 4.512 . 0 0 "[ . 1 . 2]" 1
560 1 55 LEU HA 1 58 GLU QB 3.500 . 4.500 2.892 2.522 4.495 . 0 0 "[ . 1 . 2]" 1
561 1 55 LEU HA 1 58 GLU H 3.500 . 4.500 3.364 3.168 3.758 . 0 0 "[ . 1 . 2]" 1
562 1 55 LEU HA 1 59 ILE MD 5.000 2.500 6.000 3.875 3.522 4.228 . 0 0 "[ . 1 . 2]" 1
563 1 55 LEU HA 1 59 ILE H 3.500 . 4.500 4.243 4.047 4.450 . 0 0 "[ . 1 . 2]" 1
564 1 55 LEU HB3 1 59 ILE MD 2.500 . 3.500 3.087 2.713 3.498 . 0 0 "[ . 1 . 2]" 1
565 1 55 LEU QD 1 59 ILE MD 2.500 . 3.500 2.363 1.863 2.994 . 0 0 "[ . 1 . 2]" 1
566 1 55 LEU HG 1 59 ILE MD 2.500 . 3.500 2.183 1.875 2.673 . 0 0 "[ . 1 . 2]" 1
567 1 55 LEU HG 1 59 ILE H 5.000 2.500 6.000 4.237 3.784 4.832 . 0 0 "[ . 1 . 2]" 1
568 1 55 LEU QD 1 76 ASN QD 3.500 . 4.500 2.783 2.042 3.799 . 0 0 "[ . 1 . 2]" 1
569 1 56 LEU HA 1 57 SER H 5.000 2.500 6.000 3.517 3.438 3.560 . 0 0 "[ . 1 . 2]" 1
570 1 56 LEU HB3 1 57 SER H 3.500 . 4.500 2.686 2.364 3.090 . 0 0 "[ . 1 . 2]" 1
571 1 56 LEU HB2 1 57 SER H 3.500 . 4.500 3.821 3.554 4.034 . 0 0 "[ . 1 . 2]" 1
572 1 56 LEU MD1 1 57 SER H 5.000 2.500 6.000 4.854 4.521 5.167 . 0 0 "[ . 1 . 2]" 1
573 1 56 LEU MD2 1 57 SER H 5.000 2.500 6.000 3.471 3.012 3.994 . 0 0 "[ . 1 . 2]" 1
574 1 56 LEU H 1 57 SER H 3.500 . 4.500 2.720 2.629 2.794 . 0 0 "[ . 1 . 2]" 1
575 1 56 LEU HA 1 59 ILE HB 2.500 . 3.500 2.994 2.677 3.354 . 0 0 "[ . 1 . 2]" 1
576 1 56 LEU HA 1 59 ILE MD 2.500 . 3.500 2.112 1.859 2.460 . 0 0 "[ . 1 . 2]" 1
577 1 56 LEU HA 1 59 ILE H 3.500 . 4.500 3.498 3.307 3.723 . 0 0 "[ . 1 . 2]" 1
578 1 56 LEU HA 1 60 LEU H 5.000 2.500 6.000 4.142 3.710 4.600 . 0 0 "[ . 1 . 2]" 1
579 1 56 LEU QD 1 60 LEU QD 2.000 . 2.800 1.888 1.698 2.232 . 0 0 "[ . 1 . 2]" 1
580 1 56 LEU QD 1 60 LEU HG 2.500 . 3.500 2.953 2.250 3.476 . 0 0 "[ . 1 . 2]" 1
581 1 56 LEU QD 1 60 LEU H 3.500 . 4.500 4.011 3.338 4.501 0.001 8 0 "[ . 1 . 2]" 1
582 1 56 LEU HG 1 60 LEU QD 2.500 . 3.500 2.918 2.074 3.499 . 0 0 "[ . 1 . 2]" 1
583 1 56 LEU HA 1 80 MET ME 5.000 2.500 6.000 3.581 3.029 4.076 . 0 0 "[ . 1 . 2]" 1
584 1 56 LEU QD 1 80 MET ME 2.500 . 3.500 2.910 1.802 3.501 0.001 18 0 "[ . 1 . 2]" 1
585 1 56 LEU HG 1 80 MET ME 2.500 . 3.500 3.058 2.405 3.504 0.004 12 0 "[ . 1 . 2]" 1
586 1 57 SER HA 1 58 GLU H 5.000 2.500 6.000 3.509 3.481 3.572 . 0 0 "[ . 1 . 2]" 1
587 1 57 SER QB 1 58 GLU H 3.500 . 4.500 3.034 2.500 3.530 . 0 0 "[ . 1 . 2]" 1
588 1 57 SER H 1 58 GLU H 3.500 . 4.500 2.591 2.397 2.872 . 0 0 "[ . 1 . 2]" 1
589 1 57 SER H 1 59 ILE H 5.000 2.500 6.000 4.107 3.937 4.297 . 0 0 "[ . 1 . 2]" 1
590 1 57 SER HA 1 60 LEU QB 3.500 . 4.500 2.867 2.558 3.124 . 0 0 "[ . 1 . 2]" 1
591 1 57 SER HA 1 60 LEU QD 3.500 . 4.500 3.469 2.661 4.020 . 0 0 "[ . 1 . 2]" 1
592 1 57 SER HA 1 60 LEU H 3.500 . 4.500 3.601 3.357 3.906 . 0 0 "[ . 1 . 2]" 1
593 1 57 SER HA 1 61 ARG H 5.000 2.500 6.000 4.009 3.444 4.283 . 0 0 "[ . 1 . 2]" 1
594 1 58 GLU HA 1 59 ILE H 3.500 . 4.500 3.524 3.484 3.547 . 0 0 "[ . 1 . 2]" 1
595 1 58 GLU QB 1 59 ILE H 3.500 . 4.500 2.726 2.507 3.372 . 0 0 "[ . 1 . 2]" 1
596 1 58 GLU H 1 59 ILE H 3.500 . 4.500 2.546 2.391 2.814 . 0 0 "[ . 1 . 2]" 1
597 1 58 GLU H 1 60 LEU H 5.000 2.500 6.000 4.056 3.856 4.269 . 0 0 "[ . 1 . 2]" 1
598 1 58 GLU HA 1 61 ARG QB 3.500 . 4.500 2.605 2.155 3.063 . 0 0 "[ . 1 . 2]" 1
599 1 58 GLU HA 1 61 ARG H 3.500 . 4.500 3.478 3.127 3.965 . 0 0 "[ . 1 . 2]" 1
600 1 58 GLU HA 1 62 LYS H 3.500 . 4.500 3.978 3.406 4.411 . 0 0 "[ . 1 . 2]" 1
601 1 59 ILE HA 1 60 LEU H 5.000 2.500 6.000 3.526 3.492 3.564 . 0 0 "[ . 1 . 2]" 1
602 1 59 ILE HB 1 60 LEU H 3.500 . 4.500 2.668 2.366 2.856 . 0 0 "[ . 1 . 2]" 1
603 1 59 ILE MG 1 60 LEU HA 3.500 . 4.500 3.720 3.611 3.816 . 0 0 "[ . 1 . 2]" 1
604 1 59 ILE MG 1 60 LEU H 3.500 . 4.500 3.644 3.442 3.789 . 0 0 "[ . 1 . 2]" 1
605 1 59 ILE H 1 60 LEU H 3.500 . 4.500 2.592 2.392 2.756 . 0 0 "[ . 1 . 2]" 1
606 1 59 ILE H 1 61 ARG H 5.000 2.500 6.000 3.970 3.871 4.106 . 0 0 "[ . 1 . 2]" 1
607 1 59 ILE HA 1 62 LYS HB2 2.500 . 3.500 3.044 2.631 3.402 . 0 0 "[ . 1 . 2]" 1
608 1 59 ILE HA 1 62 LYS H 5.000 2.500 6.000 3.732 3.497 3.962 . 0 0 "[ . 1 . 2]" 1
609 1 59 ILE MD 1 73 LEU QD 2.500 . 3.500 3.186 2.615 3.504 0.004 3 0 "[ . 1 . 2]" 1
610 1 59 ILE QG 1 73 LEU QD 2.500 . 3.500 2.507 1.925 3.312 . 0 0 "[ . 1 . 2]" 1
611 1 59 ILE MD 1 76 ASN HB3 3.500 . 4.500 3.035 2.485 3.350 . 0 0 "[ . 1 . 2]" 1
612 1 59 ILE MD 1 76 ASN HB2 3.500 . 4.500 3.516 3.012 4.118 . 0 0 "[ . 1 . 2]" 1
613 1 59 ILE MD 1 76 ASN QD 5.000 2.500 6.000 3.815 2.610 5.144 . 0 0 "[ . 1 . 2]" 1
614 1 59 ILE MG 1 77 LEU QD 2.500 . 3.500 2.338 1.788 3.062 . 0 0 "[ . 1 . 2]" 1
615 1 59 ILE MG 1 77 LEU HG 3.500 . 4.500 3.954 3.494 4.494 . 0 0 "[ . 1 . 2]" 1
616 1 59 ILE HB 1 80 MET ME 5.000 2.500 6.000 3.506 2.923 3.978 . 0 0 "[ . 1 . 2]" 1
617 1 59 ILE MD 1 80 MET ME 2.500 . 3.500 2.674 2.026 3.220 . 0 0 "[ . 1 . 2]" 1
618 1 59 ILE MG 1 80 MET ME 3.500 . 4.500 2.938 2.534 3.371 . 0 0 "[ . 1 . 2]" 1
619 1 60 LEU HA 1 61 ARG H 3.500 . 4.500 3.506 3.475 3.563 . 0 0 "[ . 1 . 2]" 1
620 1 60 LEU QB 1 61 ARG H 5.000 2.500 6.000 2.773 2.499 2.890 0.001 5 0 "[ . 1 . 2]" 1
621 1 60 LEU H 1 61 ARG H 2.500 . 3.500 2.470 2.234 2.696 . 0 0 "[ . 1 . 2]" 1
622 1 60 LEU HA 1 62 LYS H 5.000 2.500 6.000 4.418 4.107 4.982 . 0 0 "[ . 1 . 2]" 1
623 1 60 LEU H 1 62 LYS H 5.000 2.500 6.000 4.106 3.823 4.352 . 0 0 "[ . 1 . 2]" 1
624 1 60 LEU HA 1 63 GLU H 3.500 . 4.500 3.608 3.410 3.997 . 0 0 "[ . 1 . 2]" 1
625 1 61 ARG HA 1 62 LYS H 3.500 . 4.500 3.530 3.491 3.569 . 0 0 "[ . 1 . 2]" 1
626 1 61 ARG QB 1 62 LYS H 2.500 . 3.500 2.638 2.266 2.799 . 0 0 "[ . 1 . 2]" 1
627 1 61 ARG QG 1 62 LYS H 5.000 2.500 6.000 4.188 3.482 4.576 . 0 0 "[ . 1 . 2]" 1
628 1 61 ARG H 1 62 LYS H 3.500 . 4.500 2.602 2.500 2.693 . 0 0 "[ . 1 . 2]" 1
629 1 61 ARG H 1 63 GLU H 5.000 2.500 6.000 4.170 3.787 4.459 . 0 0 "[ . 1 . 2]" 1
630 1 62 LYS HA 1 63 GLU H 3.500 . 4.500 3.542 3.500 3.566 . 0 0 "[ . 1 . 2]" 1
631 1 62 LYS HB2 1 63 GLU H 2.500 . 3.500 2.726 2.483 2.952 . 0 0 "[ . 1 . 2]" 1
632 1 62 LYS H 1 63 GLU H 2.500 . 3.500 2.657 2.417 2.820 . 0 0 "[ . 1 . 2]" 1
633 1 62 LYS H 1 64 GLU H 5.000 2.500 6.000 4.652 4.388 4.855 . 0 0 "[ . 1 . 2]" 1
634 1 63 GLU HA 1 64 GLU H 3.500 . 4.500 2.909 2.867 2.960 . 0 0 "[ . 1 . 2]" 1
635 1 63 GLU QB 1 64 GLU H 5.000 2.500 6.000 3.811 3.761 4.036 . 0 0 "[ . 1 . 2]" 1
636 1 63 GLU H 1 64 GLU H 3.500 . 4.500 2.668 2.642 2.880 . 0 0 "[ . 1 . 2]" 1
637 1 64 GLU HA 1 65 ASP HA 3.500 . 4.500 4.355 4.316 4.467 . 0 0 "[ . 1 . 2]" 1
638 1 64 GLU HA 1 65 ASP QB 3.500 . 4.500 4.253 4.010 4.502 0.002 12 0 "[ . 1 . 2]" 1
639 1 64 GLU HA 1 65 ASP H 2.000 . 2.800 2.236 2.141 2.474 . 0 0 "[ . 1 . 2]" 1
640 1 64 GLU QB 1 65 ASP H 3.500 . 4.500 3.261 2.270 3.983 . 0 0 "[ . 1 . 2]" 1
641 1 64 GLU QG 1 65 ASP H 5.000 2.500 6.000 3.121 2.496 4.332 0.004 17 0 "[ . 1 . 2]" 1
642 1 64 GLU H 1 65 ASP H 5.000 2.500 6.000 4.526 4.265 4.605 . 0 0 "[ . 1 . 2]" 1
643 1 65 ASP HA 1 66 PRO HD3 3.500 . 4.500 2.199 1.977 2.471 0.023 17 0 "[ . 1 . 2]" 1
644 1 65 ASP HA 1 66 PRO HD2 3.500 . 4.500 2.521 2.310 2.718 . 0 0 "[ . 1 . 2]" 1
645 1 65 ASP HA 1 66 PRO QG 3.500 . 4.500 3.974 3.832 4.196 . 0 0 "[ . 1 . 2]" 1
646 1 65 ASP QB 1 67 LYS H 3.500 . 4.500 2.521 2.165 3.171 . 0 0 "[ . 1 . 2]" 1
647 1 65 ASP QB 1 68 THR H 3.500 . 4.500 3.705 2.910 4.507 0.007 12 0 "[ . 1 . 2]" 1
648 1 65 ASP H 1 73 LEU QD 5.000 2.500 6.000 5.382 4.711 6.000 . 0 0 "[ . 1 . 2]" 1
649 1 66 PRO HA 1 67 LYS H 3.500 . 4.500 3.306 2.718 3.506 . 0 0 "[ . 1 . 2]" 1
650 1 66 PRO HD3 1 67 LYS H 5.000 2.500 6.000 4.090 3.788 4.755 . 0 0 "[ . 1 . 2]" 1
651 1 66 PRO HD2 1 67 LYS H 5.000 2.500 6.000 3.035 2.554 4.114 . 0 0 "[ . 1 . 2]" 1
652 1 66 PRO QD 1 68 THR H 5.000 2.500 6.000 5.004 4.438 5.834 . 0 0 "[ . 1 . 2]" 1
653 1 66 PRO HA 1 69 ALA MB 2.000 . 2.800 2.032 1.867 2.549 . 0 0 "[ . 1 . 2]" 1
654 1 66 PRO HA 1 69 ALA H 3.500 . 4.500 3.158 2.815 3.496 . 0 0 "[ . 1 . 2]" 1
655 1 66 PRO HA 1 73 LEU QD 5.000 2.500 6.000 3.008 2.670 3.622 . 0 0 "[ . 1 . 2]" 1
656 1 66 PRO HA 1 74 LEU QD 2.500 . 3.500 3.015 2.367 3.503 0.003 6 0 "[ . 1 . 2]" 1
657 1 66 PRO HA 1 74 LEU HG 5.000 2.500 6.000 4.380 3.387 5.863 . 0 0 "[ . 1 . 2]" 1
658 1 66 PRO QB 1 74 LEU HA 3.500 . 4.500 3.598 2.976 4.287 . 0 0 "[ . 1 . 2]" 1
659 1 66 PRO QB 1 74 LEU QD 2.500 . 3.500 1.955 1.725 2.641 . 0 0 "[ . 1 . 2]" 1
660 1 66 PRO HA 1 77 LEU QD 3.500 . 4.500 3.427 3.024 3.949 . 0 0 "[ . 1 . 2]" 1
661 1 66 PRO QG 1 77 LEU QD 2.500 . 3.500 2.443 1.825 3.206 . 0 0 "[ . 1 . 2]" 1
662 1 67 LYS HA 1 68 THR H 3.500 . 4.500 3.519 3.479 3.572 . 0 0 "[ . 1 . 2]" 1
663 1 67 LYS HB3 1 68 THR H 3.500 . 4.500 3.637 3.127 3.983 . 0 0 "[ . 1 . 2]" 1
664 1 67 LYS HB2 1 68 THR H 2.500 . 3.500 2.742 2.214 3.041 . 0 0 "[ . 1 . 2]" 1
665 1 67 LYS H 1 68 THR H 2.000 . 2.800 2.614 2.128 2.810 0.010 17 0 "[ . 1 . 2]" 1
666 1 67 LYS HA 1 69 ALA H 5.000 2.500 6.000 4.305 3.987 4.673 . 0 0 "[ . 1 . 2]" 1
667 1 67 LYS H 1 69 ALA H 5.000 2.500 6.000 3.862 3.347 4.130 . 0 0 "[ . 1 . 2]" 1
668 1 68 THR HA 1 69 ALA H 3.500 . 4.500 3.057 2.878 3.495 . 0 0 "[ . 1 . 2]" 1
669 1 68 THR HB 1 69 ALA H 3.500 . 4.500 4.245 2.980 4.537 0.037 14 0 "[ . 1 . 2]" 1
670 1 68 THR MG 1 69 ALA H 5.000 2.500 6.000 3.993 2.495 4.426 0.005 9 0 "[ . 1 . 2]" 1
671 1 68 THR H 1 69 ALA HA 5.000 2.500 6.000 4.536 4.275 4.786 . 0 0 "[ . 1 . 2]" 1
672 1 68 THR H 1 69 ALA H 2.000 . 2.800 2.379 1.994 2.802 0.002 10 0 "[ . 1 . 2]" 1
673 1 69 ALA HA 1 70 SER H 2.000 . 2.800 2.517 2.249 2.722 . 0 0 "[ . 1 . 2]" 1
674 1 69 ALA MB 1 70 SER H 2.500 . 3.500 2.246 1.963 2.751 . 0 0 "[ . 1 . 2]" 1
675 1 69 ALA H 1 70 SER H 5.000 2.500 6.000 4.525 4.394 4.635 . 0 0 "[ . 1 . 2]" 1
676 1 69 ALA HA 1 73 LEU QD 3.500 . 4.500 3.903 3.228 4.327 . 0 0 "[ . 1 . 2]" 1
677 1 69 ALA MB 1 73 LEU HB3 2.500 . 3.500 2.274 1.943 2.659 . 0 0 "[ . 1 . 2]" 1
678 1 69 ALA MB 1 73 LEU HB2 2.500 . 3.500 3.039 2.392 3.501 0.001 19 0 "[ . 1 . 2]" 1
679 1 69 ALA MB 1 73 LEU QD 2.000 . 2.800 1.936 1.687 2.241 . 0 0 "[ . 1 . 2]" 1
680 1 69 ALA H 1 73 LEU QD 5.000 2.500 6.000 4.487 3.940 4.815 . 0 0 "[ . 1 . 2]" 1
681 1 69 ALA MB 1 74 LEU QD 2.500 . 3.500 2.926 1.974 3.443 . 0 0 "[ . 1 . 2]" 1
682 1 69 ALA MB 1 74 LEU HG 3.500 . 4.500 3.407 2.642 4.503 0.003 19 0 "[ . 1 . 2]" 1
683 1 69 ALA MB 1 74 LEU H 3.500 . 4.500 3.943 3.641 4.169 . 0 0 "[ . 1 . 2]" 1
684 1 69 ALA MB 1 77 LEU QD 3.500 . 4.500 3.632 3.166 4.308 . 0 0 "[ . 1 . 2]" 1
685 1 70 SER HA 1 71 GLN H 5.000 2.500 6.000 2.547 2.495 2.614 0.005 3 0 "[ . 1 . 2]" 1
686 1 70 SER H 1 73 LEU HB3 3.500 . 4.500 3.200 2.353 4.123 . 0 0 "[ . 1 . 2]" 1
687 1 70 SER H 1 73 LEU HB2 3.500 . 4.500 3.316 2.388 4.032 . 0 0 "[ . 1 . 2]" 1
688 1 70 SER H 1 73 LEU QD 3.500 . 4.500 3.604 3.089 4.296 . 0 0 "[ . 1 . 2]" 1
689 1 70 SER H 1 73 LEU H 5.000 2.500 6.000 3.876 3.545 4.231 . 0 0 "[ . 1 . 2]" 1
690 1 71 GLN QB 1 72 SER H 3.500 . 4.500 2.770 2.313 3.529 . 0 0 "[ . 1 . 2]" 1
691 1 71 GLN HA 1 73 LEU H 3.500 . 4.500 4.358 4.121 4.504 0.004 19 0 "[ . 1 . 2]" 1
692 1 71 GLN HA 1 74 LEU HB3 3.500 . 4.500 4.173 3.772 4.503 0.003 1 0 "[ . 1 . 2]" 1
693 1 71 GLN HA 1 74 LEU HB2 2.500 . 3.500 2.640 2.311 3.053 . 0 0 "[ . 1 . 2]" 1
694 1 71 GLN HA 1 74 LEU QD 2.500 . 3.500 2.414 1.912 3.489 . 0 0 "[ . 1 . 2]" 1
695 1 71 GLN HA 1 74 LEU HG 3.500 . 4.500 3.522 2.142 4.257 . 0 0 "[ . 1 . 2]" 1
696 1 71 GLN HA 1 74 LEU H 3.500 . 4.500 3.374 3.246 3.505 . 0 0 "[ . 1 . 2]" 1
697 1 71 GLN HA 1 75 VAL H 5.000 2.500 6.000 4.363 3.936 4.648 . 0 0 "[ . 1 . 2]" 1
698 1 72 SER H 1 73 LEU H 3.500 . 4.500 2.731 2.617 2.835 . 0 0 "[ . 1 . 2]" 1
699 1 72 SER HA 1 73 LEU H 3.500 . 4.500 3.538 3.488 3.562 . 0 0 "[ . 1 . 2]" 1
700 1 72 SER QB 1 73 LEU H 3.500 . 4.500 2.799 2.338 3.346 . 0 0 "[ . 1 . 2]" 1
701 1 72 SER HA 1 75 VAL HB 3.500 . 4.500 3.270 2.867 3.457 . 0 0 "[ . 1 . 2]" 1
702 1 72 SER HA 1 75 VAL MG1 3.500 . 4.500 4.445 4.167 4.505 0.005 17 0 "[ . 1 . 2]" 1
703 1 72 SER HA 1 75 VAL MG2 2.500 . 3.500 2.534 2.154 2.981 . 0 0 "[ . 1 . 2]" 1
704 1 72 SER HA 1 75 VAL H 5.000 2.500 6.000 3.580 3.395 3.781 . 0 0 "[ . 1 . 2]" 1
705 1 72 SER HA 1 76 ASN H 5.000 2.500 6.000 4.490 3.975 4.788 . 0 0 "[ . 1 . 2]" 1
706 1 73 LEU HA 1 74 LEU H 5.000 2.500 6.000 3.524 3.491 3.544 . 0 0 "[ . 1 . 2]" 1
707 1 73 LEU HB3 1 74 LEU H 2.500 . 3.500 2.664 2.512 2.832 . 0 0 "[ . 1 . 2]" 1
708 1 73 LEU QD 1 74 LEU HA 5.000 2.500 6.000 3.677 2.749 4.630 . 0 0 "[ . 1 . 2]" 1
709 1 73 LEU QD 1 74 LEU H 3.500 . 4.500 3.645 2.997 4.162 . 0 0 "[ . 1 . 2]" 1
710 1 73 LEU H 1 74 LEU H 2.000 . 2.800 2.614 2.533 2.716 . 0 0 "[ . 1 . 2]" 1
711 1 73 LEU HA 1 75 VAL H 5.000 2.500 6.000 4.210 3.991 4.564 . 0 0 "[ . 1 . 2]" 1
712 1 73 LEU H 1 75 VAL H 5.000 2.500 6.000 4.111 4.015 4.256 . 0 0 "[ . 1 . 2]" 1
713 1 73 LEU HA 1 76 ASN QD 3.500 . 4.500 3.290 2.371 4.484 . 0 0 "[ . 1 . 2]" 1
714 1 73 LEU HA 1 76 ASN H 3.500 . 4.500 3.429 3.193 3.890 . 0 0 "[ . 1 . 2]" 1
715 1 73 LEU QD 1 76 ASN HB2 3.500 . 4.500 3.138 2.517 3.691 . 0 0 "[ . 1 . 2]" 1
716 1 73 LEU HA 1 77 LEU H 5.000 2.500 6.000 4.067 3.752 4.555 . 0 0 "[ . 1 . 2]" 1
717 1 73 LEU QD 1 77 LEU QD 2.500 . 3.500 1.889 1.611 2.296 . 0 0 "[ . 1 . 2]" 1
718 1 73 LEU QD 1 77 LEU H 3.500 . 4.500 3.667 2.778 4.391 . 0 0 "[ . 1 . 2]" 1
719 1 73 LEU MD1 1 77 LEU MD1 2.500 . 3.500 2.517 1.788 3.499 . 0 0 "[ . 1 . 2]" 1
720 1 73 LEU MD1 1 77 LEU MD2 2.500 . 3.500 2.975 1.823 3.504 0.004 14 0 "[ . 1 . 2]" 1
721 1 73 LEU MD2 1 77 LEU MD1 2.500 . 3.500 2.672 1.871 3.509 0.009 5 0 "[ . 1 . 2]" 1
722 1 73 LEU MD2 1 77 LEU MD2 2.500 . 3.500 2.963 1.978 3.504 0.004 4 0 "[ . 1 . 2]" 1
723 1 73 LEU HG 1 77 LEU QD 3.500 . 4.500 2.991 2.022 3.950 . 0 0 "[ . 1 . 2]" 1
724 1 73 LEU HG 1 77 LEU MD1 3.500 . 4.500 3.253 2.187 4.475 . 0 0 "[ . 1 . 2]" 1
725 1 73 LEU HG 1 77 LEU MD2 3.500 . 4.500 3.605 2.318 4.505 0.005 1 0 "[ . 1 . 2]" 1
726 1 74 LEU HA 1 75 VAL H 3.500 . 4.500 3.513 3.490 3.546 . 0 0 "[ . 1 . 2]" 1
727 1 74 LEU HB3 1 75 VAL H 3.500 . 4.500 3.586 3.292 3.971 . 0 0 "[ . 1 . 2]" 1
728 1 74 LEU HB2 1 75 VAL H 3.500 . 4.500 2.805 2.547 3.077 . 0 0 "[ . 1 . 2]" 1
729 1 74 LEU QD 1 75 VAL H 5.000 2.500 6.000 4.100 3.884 4.195 . 0 0 "[ . 1 . 2]" 1
730 1 74 LEU HG 1 75 VAL H 5.000 2.500 6.000 4.631 4.071 5.296 . 0 0 "[ . 1 . 2]" 1
731 1 74 LEU H 1 75 VAL H 3.500 . 4.500 2.648 2.470 2.727 . 0 0 "[ . 1 . 2]" 1
732 1 74 LEU HA 1 76 ASN H 5.000 2.500 6.000 4.479 4.087 4.738 . 0 0 "[ . 1 . 2]" 1
733 1 74 LEU H 1 76 ASN H 5.000 2.500 6.000 4.230 4.058 4.464 . 0 0 "[ . 1 . 2]" 1
734 1 74 LEU HA 1 77 LEU QB 3.500 . 4.500 2.861 2.478 3.438 . 0 0 "[ . 1 . 2]" 1
735 1 74 LEU HA 1 77 LEU QD 2.500 . 3.500 2.923 1.962 3.502 0.002 12 0 "[ . 1 . 2]" 1
736 1 74 LEU HA 1 77 LEU H 3.500 . 4.500 3.620 3.460 3.880 . 0 0 "[ . 1 . 2]" 1
737 1 74 LEU QD 1 77 LEU QD 2.500 . 3.500 3.057 2.145 3.500 . 0 0 "[ . 1 . 2]" 1
738 1 74 LEU HA 1 78 ARG H 5.000 2.500 6.000 4.083 3.577 4.405 . 0 0 "[ . 1 . 2]" 1
739 1 75 VAL HA 1 76 ASN H 3.500 . 4.500 3.535 3.491 3.563 . 0 0 "[ . 1 . 2]" 1
740 1 75 VAL HB 1 76 ASN H 3.500 . 4.500 2.586 2.356 2.866 . 0 0 "[ . 1 . 2]" 1
741 1 75 VAL MG1 1 76 ASN H 3.500 . 4.500 3.603 3.449 3.771 . 0 0 "[ . 1 . 2]" 1
742 1 75 VAL MG2 1 76 ASN H 3.500 . 4.500 3.719 3.608 3.822 . 0 0 "[ . 1 . 2]" 1
743 1 75 VAL H 1 76 ASN H 2.500 . 3.500 2.605 2.436 2.786 . 0 0 "[ . 1 . 2]" 1
744 1 75 VAL HA 1 77 LEU H 5.000 2.500 6.000 4.562 4.280 4.842 . 0 0 "[ . 1 . 2]" 1
745 1 75 VAL H 1 77 LEU H 5.000 2.500 6.000 4.130 3.904 4.363 . 0 0 "[ . 1 . 2]" 1
746 1 75 VAL HA 1 78 ARG QB 2.500 . 3.500 2.697 2.295 3.045 . 0 0 "[ . 1 . 2]" 1
747 1 75 VAL HA 1 78 ARG H 3.500 . 4.500 3.585 3.323 3.971 . 0 0 "[ . 1 . 2]" 1
748 1 75 VAL H 1 78 ARG H 5.000 2.500 6.000 4.698 4.585 4.868 . 0 0 "[ . 1 . 2]" 1
749 1 75 VAL HA 1 79 ALA H 5.000 2.500 6.000 4.392 4.026 4.747 . 0 0 "[ . 1 . 2]" 1
750 1 76 ASN HA 1 77 LEU H 3.500 . 4.500 3.541 3.513 3.563 . 0 0 "[ . 1 . 2]" 1
751 1 76 ASN HB3 1 77 LEU H 3.500 . 4.500 3.466 3.158 3.861 . 0 0 "[ . 1 . 2]" 1
752 1 76 ASN HB2 1 77 LEU QD 5.000 2.500 6.000 3.507 2.803 4.429 . 0 0 "[ . 1 . 2]" 1
753 1 76 ASN HB2 1 77 LEU H 2.500 . 3.500 2.657 2.483 2.843 . 0 0 "[ . 1 . 2]" 1
754 1 76 ASN H 1 77 LEU H 2.500 . 3.500 2.641 2.510 2.757 . 0 0 "[ . 1 . 2]" 1
755 1 76 ASN HA 1 78 ARG H 5.000 2.500 6.000 4.330 4.127 4.648 . 0 0 "[ . 1 . 2]" 1
756 1 76 ASN H 1 78 ARG H 5.000 2.500 6.000 4.023 3.884 4.214 . 0 0 "[ . 1 . 2]" 1
757 1 76 ASN HA 1 79 ALA MB 3.500 . 4.500 2.999 2.623 3.468 . 0 0 "[ . 1 . 2]" 1
758 1 76 ASN HA 1 79 ALA H 5.000 2.500 6.000 3.615 3.440 3.894 . 0 0 "[ . 1 . 2]" 1
759 1 76 ASN HB3 1 80 MET ME 3.500 . 4.500 3.489 2.335 4.407 . 0 0 "[ . 1 . 2]" 1
760 1 77 LEU HA 1 78 ARG H 5.000 2.500 6.000 3.515 3.493 3.559 . 0 0 "[ . 1 . 2]" 1
761 1 77 LEU QB 1 78 ARG H 3.500 . 4.500 2.715 2.453 2.848 . 0 0 "[ . 1 . 2]" 1
762 1 77 LEU QD 1 78 ARG H 5.000 2.500 6.000 4.032 3.810 4.183 . 0 0 "[ . 1 . 2]" 1
763 1 77 LEU H 1 78 ARG H 3.500 . 4.500 2.622 2.457 2.774 . 0 0 "[ . 1 . 2]" 1
764 1 77 LEU HA 1 79 ALA H 5.000 2.500 6.000 4.411 4.156 4.787 . 0 0 "[ . 1 . 2]" 1
765 1 77 LEU H 1 79 ALA H 5.000 2.500 6.000 4.282 3.976 4.623 . 0 0 "[ . 1 . 2]" 1
766 1 77 LEU HA 1 80 MET QB 3.500 . 4.500 2.708 2.269 3.436 . 0 0 "[ . 1 . 2]" 1
767 1 77 LEU HA 1 80 MET ME 2.500 . 3.500 3.116 2.492 3.496 . 0 0 "[ . 1 . 2]" 1
768 1 77 LEU QD 1 80 MET QB 5.000 2.500 6.000 3.781 3.289 4.238 . 0 0 "[ . 1 . 2]" 1
769 1 77 LEU QD 1 80 MET ME 2.500 . 3.500 2.634 1.931 3.341 . 0 0 "[ . 1 . 2]" 1
770 1 77 LEU QD 1 80 MET QG 5.000 2.500 6.000 4.371 3.356 5.309 . 0 0 "[ . 1 . 2]" 1
771 1 77 LEU HA 1 81 GLN H 5.000 2.500 6.000 4.256 3.932 4.830 . 0 0 "[ . 1 . 2]" 1
772 1 78 ARG HA 1 79 ALA H 5.000 2.500 6.000 3.540 3.496 3.569 . 0 0 "[ . 1 . 2]" 1
773 1 78 ARG QB 1 79 ALA H 3.500 . 4.500 2.569 2.272 2.820 . 0 0 "[ . 1 . 2]" 1
774 1 78 ARG H 1 79 ALA H 2.500 . 3.500 2.707 2.603 2.824 . 0 0 "[ . 1 . 2]" 1
775 1 78 ARG HA 1 80 MET H 5.000 2.500 6.000 4.435 4.194 4.646 . 0 0 "[ . 1 . 2]" 1
776 1 78 ARG H 1 80 MET H 5.000 2.500 6.000 4.157 3.872 4.375 . 0 0 "[ . 1 . 2]" 1
777 1 78 ARG HA 1 81 GLN HB3 2.500 . 3.500 3.197 2.616 3.501 0.001 10 0 "[ . 1 . 2]" 1
778 1 78 ARG HA 1 81 GLN HB2 3.500 . 4.500 3.248 2.915 3.669 . 0 0 "[ . 1 . 2]" 1
779 1 78 ARG HA 1 81 GLN H 3.500 . 4.500 3.512 3.369 3.705 . 0 0 "[ . 1 . 2]" 1
780 1 78 ARG H 1 81 GLN H 5.000 2.500 6.000 4.784 4.579 5.073 . 0 0 "[ . 1 . 2]" 1
781 1 78 ARG HA 1 82 ASN H 5.000 2.500 6.000 4.301 3.825 4.627 . 0 0 "[ . 1 . 2]" 1
782 1 79 ALA HA 1 80 MET H 3.500 . 4.500 3.533 3.500 3.561 . 0 0 "[ . 1 . 2]" 1
783 1 79 ALA MB 1 80 MET H 2.500 . 3.500 2.618 2.356 2.817 . 0 0 "[ . 1 . 2]" 1
784 1 79 ALA H 1 80 MET H 2.500 . 3.500 2.667 2.524 2.799 . 0 0 "[ . 1 . 2]" 1
785 1 79 ALA HA 1 81 GLN H 5.000 2.500 6.000 4.301 4.108 4.491 . 0 0 "[ . 1 . 2]" 1
786 1 79 ALA H 1 81 GLN H 5.000 2.500 6.000 4.093 3.977 4.362 . 0 0 "[ . 1 . 2]" 1
787 1 79 ALA HA 1 82 ASN HB3 3.500 . 4.500 4.409 4.118 4.502 0.002 16 0 "[ . 1 . 2]" 1
788 1 79 ALA HA 1 82 ASN HB2 3.500 . 4.500 2.843 2.514 3.070 . 0 0 "[ . 1 . 2]" 1
789 1 79 ALA HA 1 82 ASN QD 5.000 2.500 6.000 4.341 2.854 5.947 . 0 0 "[ . 1 . 2]" 1
790 1 79 ALA HA 1 82 ASN H 3.500 . 4.500 3.543 3.319 3.712 . 0 0 "[ . 1 . 2]" 1
791 1 79 ALA HA 1 83 PHE H 5.000 2.500 6.000 4.278 4.012 4.684 . 0 0 "[ . 1 . 2]" 1
792 1 80 MET HA 1 81 GLN H 3.500 . 4.500 3.516 3.492 3.545 . 0 0 "[ . 1 . 2]" 1
793 1 80 MET QB 1 81 GLN H 3.500 . 4.500 2.714 2.503 2.834 . 0 0 "[ . 1 . 2]" 1
794 1 80 MET H 1 81 GLN H 3.500 . 4.500 2.615 2.493 2.683 . 0 0 "[ . 1 . 2]" 1
795 1 80 MET HA 1 82 ASN H 5.000 2.500 6.000 4.500 4.165 4.767 . 0 0 "[ . 1 . 2]" 1
796 1 80 MET H 1 82 ASN H 5.000 2.500 6.000 4.245 4.135 4.429 . 0 0 "[ . 1 . 2]" 1
797 1 80 MET HA 1 83 PHE HB3 3.500 . 4.500 2.993 2.546 3.212 . 0 0 "[ . 1 . 2]" 1
798 1 80 MET HA 1 83 PHE HB2 3.500 . 4.500 3.637 3.228 3.931 . 0 0 "[ . 1 . 2]" 1
799 1 80 MET HA 1 83 PHE QD 3.500 . 4.500 4.269 3.858 4.497 . 0 0 "[ . 1 . 2]" 1
800 1 80 MET HA 1 83 PHE H 3.500 . 4.500 3.581 3.408 3.770 . 0 0 "[ . 1 . 2]" 1
801 1 80 MET HA 1 84 LEU H 5.000 2.500 6.000 4.240 3.786 4.629 . 0 0 "[ . 1 . 2]" 1
802 1 81 GLN HA 1 82 ASN H 5.000 2.500 6.000 3.542 3.497 3.559 . 0 0 "[ . 1 . 2]" 1
803 1 81 GLN HB3 1 82 ASN H 2.500 . 3.500 2.552 2.359 2.813 . 0 0 "[ . 1 . 2]" 1
804 1 81 GLN HB2 1 82 ASN H 3.500 . 4.500 3.656 3.516 3.970 . 0 0 "[ . 1 . 2]" 1
805 1 81 GLN QG 1 82 ASN H 5.000 2.500 6.000 3.952 3.583 4.255 . 0 0 "[ . 1 . 2]" 1
806 1 81 GLN H 1 82 ASN H 3.500 . 4.500 2.647 2.538 2.725 . 0 0 "[ . 1 . 2]" 1
807 1 81 GLN HA 1 83 PHE H 5.000 2.500 6.000 4.460 4.192 4.803 . 0 0 "[ . 1 . 2]" 1
808 1 81 GLN H 1 83 PHE H 5.000 2.500 6.000 4.141 3.893 4.408 . 0 0 "[ . 1 . 2]" 1
809 1 81 GLN HA 1 84 LEU HB2 2.000 . 2.800 2.728 2.575 2.803 0.003 7 0 "[ . 1 . 2]" 1
810 1 81 GLN HA 1 84 LEU QD 2.500 . 3.500 2.941 2.404 3.413 . 0 0 "[ . 1 . 2]" 1
811 1 81 GLN HA 1 84 LEU H 3.500 . 4.500 3.501 3.385 3.656 . 0 0 "[ . 1 . 2]" 1
812 1 82 ASN HA 1 83 PHE H 3.500 . 4.500 3.536 3.506 3.565 . 0 0 "[ . 1 . 2]" 1
813 1 82 ASN HB3 1 83 PHE H 3.500 . 4.500 3.323 3.109 3.741 . 0 0 "[ . 1 . 2]" 1
814 1 82 ASN HB2 1 83 PHE H 3.500 . 4.500 2.776 2.484 2.971 . 0 0 "[ . 1 . 2]" 1
815 1 82 ASN H 1 83 PHE H 3.500 . 4.500 2.694 2.558 2.809 . 0 0 "[ . 1 . 2]" 1
816 1 82 ASN HA 1 84 LEU H 5.000 2.500 6.000 4.351 4.142 4.622 . 0 0 "[ . 1 . 2]" 1
817 1 82 ASN H 1 84 LEU H 5.000 2.500 6.000 4.111 3.963 4.276 . 0 0 "[ . 1 . 2]" 1
818 1 82 ASN HA 1 85 GLN HB3 3.500 . 4.500 3.953 3.762 4.213 . 0 0 "[ . 1 . 2]" 1
819 1 82 ASN HA 1 85 GLN QG 5.000 2.500 6.000 3.499 2.841 4.271 . 0 0 "[ . 1 . 2]" 1
820 1 82 ASN HA 1 85 GLN H 3.500 . 4.500 3.370 3.243 3.515 . 0 0 "[ . 1 . 2]" 1
821 1 83 PHE HA 1 84 LEU H 3.500 . 4.500 3.520 3.490 3.551 . 0 0 "[ . 1 . 2]" 1
822 1 83 PHE HB3 1 84 LEU H 3.500 . 4.500 2.684 2.474 2.844 . 0 0 "[ . 1 . 2]" 1
823 1 83 PHE HB2 1 84 LEU H 3.500 . 4.500 3.875 3.580 3.981 . 0 0 "[ . 1 . 2]" 1
824 1 83 PHE QD 1 84 LEU HA 5.000 2.500 6.000 4.124 3.408 4.555 . 0 0 "[ . 1 . 2]" 1
825 1 83 PHE QD 1 84 LEU QD 3.500 . 4.500 3.777 3.376 4.182 . 0 0 "[ . 1 . 2]" 1
826 1 83 PHE QD 1 84 LEU HG 3.500 . 4.500 3.414 2.824 3.895 . 0 0 "[ . 1 . 2]" 1
827 1 83 PHE QD 1 84 LEU H 3.500 . 4.500 4.003 3.632 4.257 . 0 0 "[ . 1 . 2]" 1
828 1 83 PHE H 1 84 LEU H 2.500 . 3.500 2.632 2.475 2.778 . 0 0 "[ . 1 . 2]" 1
829 1 83 PHE HA 1 85 GLN H 5.000 2.500 6.000 4.256 4.134 4.387 . 0 0 "[ . 1 . 2]" 1
830 1 83 PHE H 1 85 GLN H 5.000 2.500 6.000 3.937 3.871 4.032 . 0 0 "[ . 1 . 2]" 1
831 1 83 PHE HA 1 86 LEU QD 2.500 . 3.500 2.101 1.891 2.590 . 0 0 "[ . 1 . 2]" 1
832 1 83 PHE HA 1 86 LEU HG 3.500 . 4.500 3.336 2.190 4.126 . 0 0 "[ . 1 . 2]" 1
833 1 83 PHE HA 1 86 LEU H 5.000 2.500 6.000 3.621 3.368 3.808 . 0 0 "[ . 1 . 2]" 1
834 1 83 PHE QD 1 86 LEU QD 2.500 . 3.500 2.623 1.934 3.324 . 0 0 "[ . 1 . 2]" 1
835 1 83 PHE QE 1 86 LEU QD 3.500 . 4.500 3.723 2.981 4.331 . 0 0 "[ . 1 . 2]" 1
836 1 83 PHE HZ 1 86 LEU QD 5.000 2.500 6.000 5.361 4.864 5.862 . 0 0 "[ . 1 . 2]" 1
837 1 83 PHE QD 1 91 ARG QD 3.500 . 4.500 3.793 2.904 4.464 . 0 0 "[ . 1 . 2]" 1
838 1 83 PHE QD 1 91 ARG QG 5.000 2.500 6.000 3.824 3.148 4.289 . 0 0 "[ . 1 . 2]" 1
839 1 83 PHE QE 1 91 ARG HA 3.500 . 4.500 3.485 2.000 3.993 0.000 20 0 "[ . 1 . 2]" 1
840 1 83 PHE QE 1 91 ARG QD 3.500 . 4.500 3.582 2.548 4.499 . 0 0 "[ . 1 . 2]" 1
841 1 83 PHE HZ 1 91 ARG HA 3.500 . 4.500 3.515 3.081 3.927 . 0 0 "[ . 1 . 2]" 1
842 1 83 PHE HZ 1 91 ARG HB3 5.000 2.500 6.000 4.285 2.912 4.801 . 0 0 "[ . 1 . 2]" 1
843 1 83 PHE HZ 1 91 ARG HB2 5.000 2.500 6.000 5.651 4.591 5.999 . 0 0 "[ . 1 . 2]" 1
844 1 83 PHE HZ 1 91 ARG QG 5.000 2.500 6.000 3.638 2.853 4.146 . 0 0 "[ . 1 . 2]" 1
845 1 83 PHE QD 1 94 ILE MD 3.500 . 4.500 3.289 2.509 3.772 . 0 0 "[ . 1 . 2]" 1
846 1 83 PHE QD 1 94 ILE MG 5.000 2.500 6.000 4.466 3.794 5.144 . 0 0 "[ . 1 . 2]" 1
847 1 83 PHE QE 1 94 ILE HB 3.500 . 4.500 3.211 2.310 3.990 . 0 0 "[ . 1 . 2]" 1
848 1 83 PHE QE 1 94 ILE MD 2.500 . 3.500 1.914 1.828 2.108 . 0 0 "[ . 1 . 2]" 1
849 1 83 PHE QE 1 94 ILE MG 2.500 . 3.500 2.722 2.073 3.460 . 0 0 "[ . 1 . 2]" 1
850 1 83 PHE HZ 1 94 ILE HB 3.500 . 4.500 3.055 2.607 3.595 . 0 0 "[ . 1 . 2]" 1
851 1 83 PHE HZ 1 94 ILE MD 3.500 . 4.500 3.062 2.089 3.837 . 0 0 "[ . 1 . 2]" 1
852 1 83 PHE HZ 1 94 ILE MG 2.500 . 3.500 2.992 2.127 3.501 0.001 2 0 "[ . 1 . 2]" 1
853 1 83 PHE QD 1 95 TYR HH 5.000 2.500 6.000 4.130 3.021 5.222 . 0 0 "[ . 1 . 2]" 1
854 1 83 PHE QE 1 95 TYR QE 2.500 . 3.500 2.888 2.242 3.458 . 0 0 "[ . 1 . 2]" 1
855 1 83 PHE QE 1 95 TYR HH 3.500 . 4.500 2.584 2.038 3.547 . 0 0 "[ . 1 . 2]" 1
856 1 83 PHE HZ 1 95 TYR QE 3.500 . 4.500 3.321 2.844 4.013 . 0 0 "[ . 1 . 2]" 1
857 1 83 PHE HZ 1 95 TYR HH 5.000 2.500 6.000 3.964 2.931 5.096 . 0 0 "[ . 1 . 2]" 1
858 1 84 LEU HA 1 85 GLN H 3.500 . 4.500 3.482 3.453 3.501 . 0 0 "[ . 1 . 2]" 1
859 1 84 LEU HB3 1 85 GLN HA 5.000 2.500 6.000 4.238 4.124 4.360 . 0 0 "[ . 1 . 2]" 1
860 1 84 LEU HB2 1 85 GLN H 3.500 . 4.500 2.984 2.845 3.126 . 0 0 "[ . 1 . 2]" 1
861 1 84 LEU H 1 85 GLN H 3.500 . 4.500 2.443 2.329 2.615 . 0 0 "[ . 1 . 2]" 1
862 1 84 LEU H 1 86 LEU H 5.000 2.500 6.000 4.003 3.809 4.186 . 0 0 "[ . 1 . 2]" 1
863 1 84 LEU HA 1 91 ARG QD 2.500 . 3.500 2.598 2.297 3.114 . 0 0 "[ . 1 . 2]" 1
864 1 85 GLN HA 1 86 LEU H 3.500 . 4.500 3.483 3.449 3.526 . 0 0 "[ . 1 . 2]" 1
865 1 85 GLN HB3 1 86 LEU H 3.500 . 4.500 3.623 3.364 3.874 . 0 0 "[ . 1 . 2]" 1
866 1 85 GLN HB2 1 86 LEU H 3.500 . 4.500 3.019 2.817 3.211 . 0 0 "[ . 1 . 2]" 1
867 1 85 GLN H 1 86 LEU H 2.500 . 3.500 2.500 2.377 2.564 . 0 0 "[ . 1 . 2]" 1
868 1 86 LEU HA 1 87 PRO QD 2.000 . 2.800 2.055 1.934 2.221 . 0 0 "[ . 1 . 2]" 1
869 1 86 LEU HB3 1 87 PRO QD 2.500 . 3.500 2.189 1.973 2.573 . 0 0 "[ . 1 . 2]" 1
870 1 86 LEU HB2 1 87 PRO QD 3.500 . 4.500 3.622 3.457 3.879 . 0 0 "[ . 1 . 2]" 1
871 1 86 LEU QD 1 87 PRO QD 2.500 . 3.500 2.190 1.793 2.834 . 0 0 "[ . 1 . 2]" 1
872 1 86 LEU HB3 1 90 GLU QB 3.500 . 4.500 2.687 2.197 3.185 . 0 0 "[ . 1 . 2]" 1
873 1 86 LEU QD 1 90 GLU QB 2.500 . 3.500 2.937 2.472 3.411 . 0 0 "[ . 1 . 2]" 1
874 1 86 LEU QD 1 90 GLU HB3 3.500 . 4.500 3.156 2.557 3.888 . 0 0 "[ . 1 . 2]" 1
875 1 86 LEU QD 1 90 GLU HB2 3.500 . 4.500 3.539 2.996 4.215 . 0 0 "[ . 1 . 2]" 1
876 1 86 LEU HB2 1 91 ARG QG 3.500 . 4.500 3.146 2.559 3.596 . 0 0 "[ . 1 . 2]" 1
877 1 86 LEU H 1 91 ARG QG 5.000 2.500 6.000 4.630 4.215 5.230 . 0 0 "[ . 1 . 2]" 1
878 1 86 LEU QD 1 94 ILE MD 2.500 . 3.500 3.020 2.286 3.474 . 0 0 "[ . 1 . 2]" 1
879 1 87 PRO HA 1 88 GLU HA 5.000 2.500 6.000 4.322 4.308 4.344 . 0 0 "[ . 1 . 2]" 1
880 1 87 PRO HA 1 88 GLU H 2.500 . 3.500 2.274 2.192 2.371 . 0 0 "[ . 1 . 2]" 1
881 1 87 PRO QB 1 88 GLU H 3.500 . 4.500 2.872 2.600 3.107 . 0 0 "[ . 1 . 2]" 1
882 1 87 PRO HA 1 89 ALA H 3.500 . 4.500 4.087 3.955 4.259 . 0 0 "[ . 1 . 2]" 1
883 1 87 PRO QB 1 89 ALA H 3.500 . 4.500 2.683 2.364 3.130 . 0 0 "[ . 1 . 2]" 1
884 1 87 PRO QD 1 89 ALA H 5.000 2.500 6.000 5.385 5.097 5.785 . 0 0 "[ . 1 . 2]" 1
885 1 87 PRO QB 1 90 GLU H 3.500 . 4.500 2.676 2.269 3.236 . 0 0 "[ . 1 . 2]" 1
886 1 87 PRO QD 1 90 GLU QB 2.500 . 3.500 2.735 2.194 3.036 . 0 0 "[ . 1 . 2]" 1
887 1 87 PRO QD 1 90 GLU HB3 3.500 . 4.500 3.610 2.949 4.200 . 0 0 "[ . 1 . 2]" 1
888 1 87 PRO QD 1 90 GLU HB2 3.500 . 4.500 2.859 2.232 3.309 . 0 0 "[ . 1 . 2]" 1
889 1 87 PRO QD 1 90 GLU H 3.500 . 4.500 4.142 3.837 4.462 . 0 0 "[ . 1 . 2]" 1
890 1 88 GLU HA 1 89 ALA H 5.000 2.500 6.000 3.503 3.487 3.539 . 0 0 "[ . 1 . 2]" 1
891 1 88 GLU HB3 1 89 ALA H 2.500 . 3.500 2.802 2.568 2.945 . 0 0 "[ . 1 . 2]" 1
892 1 88 GLU HB2 1 89 ALA H 3.500 . 4.500 3.838 3.583 3.976 . 0 0 "[ . 1 . 2]" 1
893 1 88 GLU QG 1 89 ALA H 5.000 2.500 6.000 4.074 3.728 4.465 . 0 0 "[ . 1 . 2]" 1
894 1 88 GLU H 1 89 ALA MB 5.000 2.500 6.000 4.274 4.193 4.363 . 0 0 "[ . 1 . 2]" 1
895 1 88 GLU H 1 89 ALA H 3.500 . 4.500 2.640 2.578 2.693 . 0 0 "[ . 1 . 2]" 1
896 1 88 GLU HA 1 90 GLU H 5.000 2.500 6.000 4.178 4.034 4.400 . 0 0 "[ . 1 . 2]" 1
897 1 88 GLU H 1 90 GLU H 5.000 2.500 6.000 4.266 4.045 4.487 . 0 0 "[ . 1 . 2]" 1
898 1 88 GLU HA 1 91 ARG HB3 3.500 . 4.500 4.177 3.826 4.440 . 0 0 "[ . 1 . 2]" 1
899 1 88 GLU HA 1 91 ARG HB2 3.500 . 4.500 2.585 2.325 2.857 . 0 0 "[ . 1 . 2]" 1
900 1 88 GLU HA 1 91 ARG QD 5.000 2.500 6.000 4.185 2.504 4.742 . 0 0 "[ . 1 . 2]" 1
901 1 88 GLU HA 1 91 ARG HE 3.500 . 4.500 3.265 1.999 4.249 0.001 8 0 "[ . 1 . 2]" 1
902 1 88 GLU HA 1 91 ARG QG 5.000 2.500 6.000 3.452 2.737 4.674 . 0 0 "[ . 1 . 2]" 1
903 1 88 GLU HA 1 91 ARG H 3.500 . 4.500 3.353 3.250 3.430 . 0 0 "[ . 1 . 2]" 1
904 1 88 GLU QG 1 91 ARG HE 3.500 . 4.500 3.734 3.299 4.428 . 0 0 "[ . 1 . 2]" 1
905 1 88 GLU HA 1 92 ASP H 3.500 . 4.500 4.065 3.845 4.435 . 0 0 "[ . 1 . 2]" 1
906 1 89 ALA HA 1 90 GLU H 5.000 2.500 6.000 3.521 3.492 3.552 . 0 0 "[ . 1 . 2]" 1
907 1 89 ALA MB 1 90 GLU H 2.500 . 3.500 2.671 2.516 2.800 . 0 0 "[ . 1 . 2]" 1
908 1 89 ALA H 1 90 GLU H 2.500 . 3.500 2.681 2.572 2.759 . 0 0 "[ . 1 . 2]" 1
909 1 89 ALA H 1 91 ARG H 5.000 2.500 6.000 4.239 4.054 4.436 . 0 0 "[ . 1 . 2]" 1
910 1 89 ALA HA 1 92 ASP QB 2.500 . 3.500 2.916 2.556 3.220 . 0 0 "[ . 1 . 2]" 1
911 1 89 ALA HA 1 92 ASP H 3.500 . 4.500 3.732 3.579 3.865 . 0 0 "[ . 1 . 2]" 1
912 1 89 ALA MB 1 92 ASP QB 3.500 . 4.500 4.206 3.962 4.461 . 0 0 "[ . 1 . 2]" 1
913 1 89 ALA HA 1 93 ARG H 5.000 2.500 6.000 4.447 4.124 4.650 . 0 0 "[ . 1 . 2]" 1
914 1 90 GLU HA 1 91 ARG H 5.000 2.500 6.000 3.542 3.519 3.563 . 0 0 "[ . 1 . 2]" 1
915 1 90 GLU QB 1 91 ARG H 2.500 . 3.500 2.570 2.304 2.760 . 0 0 "[ . 1 . 2]" 1
916 1 90 GLU H 1 91 ARG H 2.000 . 2.800 2.564 2.493 2.660 . 0 0 "[ . 1 . 2]" 1
917 1 90 GLU HA 1 92 ASP H 3.500 . 4.500 4.326 4.080 4.503 0.003 6 0 "[ . 1 . 2]" 1
918 1 90 GLU H 1 92 ASP H 5.000 2.500 6.000 4.036 3.789 4.270 . 0 0 "[ . 1 . 2]" 1
919 1 90 GLU HA 1 93 ARG QB 3.500 . 4.500 2.925 2.371 4.095 . 0 0 "[ . 1 . 2]" 1
920 1 90 GLU HA 1 93 ARG H 3.500 . 4.500 3.495 3.363 3.747 . 0 0 "[ . 1 . 2]" 1
921 1 90 GLU HA 1 94 ILE H 3.500 . 4.500 4.305 4.103 4.502 0.002 11 0 "[ . 1 . 2]" 1
922 1 90 GLU QB 1 94 ILE MD 2.500 . 3.500 2.766 2.087 3.428 . 0 0 "[ . 1 . 2]" 1
923 1 91 ARG HA 1 92 ASP H 5.000 2.500 6.000 3.524 3.465 3.554 . 0 0 "[ . 1 . 2]" 1
924 1 91 ARG HB3 1 92 ASP H 3.500 . 4.500 3.490 3.247 3.961 . 0 0 "[ . 1 . 2]" 1
925 1 91 ARG HB2 1 92 ASP H 3.500 . 4.500 2.769 2.537 2.983 . 0 0 "[ . 1 . 2]" 1
926 1 91 ARG H 1 92 ASP H 3.500 . 4.500 2.702 2.520 2.766 . 0 0 "[ . 1 . 2]" 1
927 1 91 ARG HA 1 93 ARG H 5.000 2.500 6.000 4.445 4.251 4.709 . 0 0 "[ . 1 . 2]" 1
928 1 91 ARG H 1 93 ARG H 5.000 2.500 6.000 4.259 4.015 4.670 . 0 0 "[ . 1 . 2]" 1
929 1 91 ARG HA 1 94 ILE HB 2.500 . 3.500 2.988 2.546 3.292 . 0 0 "[ . 1 . 2]" 1
930 1 91 ARG HA 1 94 ILE MD 2.500 . 3.500 2.199 1.866 2.705 . 0 0 "[ . 1 . 2]" 1
931 1 91 ARG HA 1 94 ILE MG 5.000 2.500 6.000 4.321 3.907 4.564 . 0 0 "[ . 1 . 2]" 1
932 1 91 ARG HA 1 94 ILE H 5.000 2.500 6.000 3.534 3.336 3.668 . 0 0 "[ . 1 . 2]" 1
933 1 91 ARG HA 1 95 TYR H 5.000 2.500 6.000 4.138 3.869 4.517 . 0 0 "[ . 1 . 2]" 1
934 1 91 ARG HB3 1 95 TYR QD 5.000 2.500 6.000 3.215 2.762 3.749 . 0 0 "[ . 1 . 2]" 1
935 1 91 ARG HB3 1 95 TYR QE 3.500 . 4.500 2.249 2.024 2.672 . 0 0 "[ . 1 . 2]" 1
936 1 91 ARG HB2 1 95 TYR QE 5.000 2.500 6.000 3.697 3.050 4.308 . 0 0 "[ . 1 . 2]" 1
937 1 91 ARG HB3 1 95 TYR HH 5.000 2.500 6.000 3.702 2.746 4.382 . 0 0 "[ . 1 . 2]" 1
938 1 91 ARG QD 1 95 TYR QE 5.000 2.500 6.000 3.025 2.496 4.326 0.004 17 0 "[ . 1 . 2]" 1
939 1 91 ARG HB2 1 95 TYR HH 5.000 2.500 6.000 5.203 4.290 5.884 . 0 0 "[ . 1 . 2]" 1
940 1 91 ARG QD 1 95 TYR HH 3.500 . 4.500 2.878 1.998 4.499 0.002 19 0 "[ . 1 . 2]" 1
941 1 91 ARG HD3 1 95 TYR QE 5.000 2.500 6.000 4.565 4.169 5.127 . 0 0 "[ . 1 . 2]" 1
942 1 91 ARG HD2 1 95 TYR QE 5.000 2.500 6.000 3.094 2.515 4.736 . 0 0 "[ . 1 . 2]" 1
943 1 91 ARG QG 1 95 TYR QE 3.500 . 4.500 3.868 2.526 4.207 . 0 0 "[ . 1 . 2]" 1
944 1 91 ARG QG 1 95 TYR HH 5.000 2.500 6.000 4.027 2.786 5.355 . 0 0 "[ . 1 . 2]" 1
945 1 92 ASP HA 1 93 ARG H 5.000 2.500 6.000 3.536 3.508 3.570 . 0 0 "[ . 1 . 2]" 1
946 1 92 ASP QB 1 93 ARG H 2.500 . 3.500 2.621 2.304 2.831 . 0 0 "[ . 1 . 2]" 1
947 1 92 ASP H 1 93 ARG H 3.500 . 4.500 2.672 2.523 2.885 . 0 0 "[ . 1 . 2]" 1
948 1 92 ASP H 1 94 ILE H 5.000 2.500 6.000 4.154 3.895 4.386 . 0 0 "[ . 1 . 2]" 1
949 1 92 ASP HA 1 95 TYR QB 3.500 . 4.500 2.613 2.286 2.987 . 0 0 "[ . 1 . 2]" 1
950 1 92 ASP HA 1 95 TYR QD 2.500 . 3.500 2.440 1.988 3.003 . 0 0 "[ . 1 . 2]" 1
951 1 92 ASP HA 1 95 TYR QE 5.000 2.500 6.000 4.467 3.842 5.039 . 0 0 "[ . 1 . 2]" 1
952 1 92 ASP HA 1 95 TYR H 5.000 2.500 6.000 3.494 3.248 3.760 . 0 0 "[ . 1 . 2]" 1
953 1 92 ASP H 1 95 TYR QD 5.000 2.500 6.000 4.150 3.805 4.572 . 0 0 "[ . 1 . 2]" 1
954 1 93 ARG HA 1 94 ILE H 3.500 . 4.500 3.531 3.484 3.561 . 0 0 "[ . 1 . 2]" 1
955 1 93 ARG QB 1 94 ILE H 3.500 . 4.500 2.713 2.364 3.566 . 0 0 "[ . 1 . 2]" 1
956 1 93 ARG H 1 94 ILE H 3.500 . 4.500 2.662 2.441 2.789 . 0 0 "[ . 1 . 2]" 1
957 1 93 ARG H 1 95 TYR H 5.000 2.500 6.000 4.070 3.848 4.374 . 0 0 "[ . 1 . 2]" 1
958 1 93 ARG HA 1 96 GLN QB 2.500 . 3.500 3.115 2.475 3.488 . 0 0 "[ . 1 . 2]" 1
959 1 93 ARG HA 1 96 GLN H 3.500 . 4.500 3.599 3.216 3.919 . 0 0 "[ . 1 . 2]" 1
960 1 94 ILE HA 1 95 TYR H 5.000 2.500 6.000 3.513 3.373 3.563 . 0 0 "[ . 1 . 2]" 1
961 1 94 ILE HB 1 95 TYR H 3.500 . 4.500 2.731 2.396 3.341 . 0 0 "[ . 1 . 2]" 1
962 1 94 ILE MG 1 95 TYR QE 5.000 2.500 6.000 4.668 3.986 5.142 . 0 0 "[ . 1 . 2]" 1
963 1 94 ILE MG 1 95 TYR H 3.500 . 4.500 3.681 3.432 4.030 . 0 0 "[ . 1 . 2]" 1
964 1 94 ILE H 1 95 TYR H 3.500 . 4.500 2.571 2.393 2.770 . 0 0 "[ . 1 . 2]" 1
965 1 94 ILE HA 1 96 GLN H 5.000 2.500 6.000 4.377 4.097 4.799 . 0 0 "[ . 1 . 2]" 1
966 1 94 ILE H 1 96 GLN H 3.500 . 4.500 4.108 3.868 4.368 . 0 0 "[ . 1 . 2]" 1
967 1 94 ILE HA 1 97 ASP HB3 3.500 . 4.500 3.423 2.312 4.269 . 0 0 "[ . 1 . 2]" 1
968 1 94 ILE HA 1 97 ASP HB2 3.500 . 4.500 3.137 2.014 4.285 . 0 0 "[ . 1 . 2]" 1
969 1 94 ILE HA 1 97 ASP H 5.000 2.500 6.000 3.591 3.228 4.066 . 0 0 "[ . 1 . 2]" 1
970 1 95 TYR HA 1 96 GLN H 3.500 . 4.500 3.520 3.483 3.565 . 0 0 "[ . 1 . 2]" 1
971 1 95 TYR HB3 1 96 GLN H 3.500 . 4.500 3.567 3.192 3.807 . 0 0 "[ . 1 . 2]" 1
972 1 95 TYR HB2 1 96 GLN H 3.500 . 4.500 2.759 2.442 3.019 . 0 0 "[ . 1 . 2]" 1
973 1 95 TYR H 1 96 GLN H 3.500 . 4.500 2.577 2.177 2.748 . 0 0 "[ . 1 . 2]" 1
974 1 96 GLN HA 1 97 ASP H 3.500 . 4.500 3.412 2.956 3.571 . 0 0 "[ . 1 . 2]" 1
975 1 96 GLN QB 1 97 ASP H 3.500 . 4.500 2.864 2.114 3.756 . 0 0 "[ . 1 . 2]" 1
976 1 96 GLN H 1 97 ASP H 3.500 . 4.500 2.547 2.219 2.761 . 0 0 "[ . 1 . 2]" 1
977 1 97 ASP HA 1 98 GLU H 3.500 . 4.500 2.385 2.138 3.569 . 0 0 "[ . 1 . 2]" 1
978 1 97 ASP QB 1 98 GLU H 3.500 . 4.500 3.487 1.994 4.008 0.006 5 0 "[ . 1 . 2]" 1
979 1 97 ASP H 1 98 GLU H 3.500 . 4.500 4.170 2.855 4.518 0.018 5 0 "[ . 1 . 2]" 1
980 1 98 GLU HA 1 99 ARG H 3.500 . 4.500 2.798 2.140 3.572 . 0 0 "[ . 1 . 2]" 1
981 1 98 GLU H 1 99 ARG H 3.500 . 4.500 3.463 1.998 4.505 0.005 11 0 "[ . 1 . 2]" 1
982 1 99 ARG HB3 1 100 GLU H 3.500 . 4.500 3.599 2.542 4.522 0.022 12 0 "[ . 1 . 2]" 1
983 1 99 ARG HB2 1 100 GLU H 3.500 . 4.500 3.995 2.187 4.507 0.007 1 0 "[ . 1 . 2]" 1
984 1 99 ARG H 1 100 GLU H 3.500 . 4.500 3.832 2.160 4.519 0.019 5 0 "[ . 1 . 2]" 1
985 1 100 GLU HA 1 101 ARG H 5.000 2.500 6.000 3.111 2.505 3.571 . 0 0 "[ . 1 . 2]" 1
986 1 100 GLU QB 1 101 ARG H 2.500 . 3.500 2.683 1.950 3.514 0.014 3 0 "[ . 1 . 2]" 1
987 1 100 GLU H 1 101 ARG H 5.000 2.500 6.000 3.352 2.489 4.600 0.011 11 0 "[ . 1 . 2]" 1
988 1 101 ARG H 1 102 SER H 2.500 . 3.500 2.844 2.244 3.509 0.009 19 0 "[ . 1 . 2]" 1
989 1 102 SER H 1 103 LEU H 3.500 . 4.500 3.859 2.372 4.502 0.002 4 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 86
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 2.333
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0021
_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 23 SER 0.000 0.000 7 0 "[ . 1 . 2]"
1 24 SER 0.025 0.008 19 0 "[ . 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.002 0.001 8 0 "[ . 1 . 2]"
1 27 TYR 0.007 0.004 1 0 "[ . 1 . 2]"
1 28 GLN 0.025 0.008 19 0 "[ . 1 . 2]"
1 29 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.002 0.001 8 0 "[ . 1 . 2]"
1 31 ARG 0.008 0.004 1 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.001 0.001 9 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 0.006 0.003 5 0 "[ . 1 . 2]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.006 0.003 5 0 "[ . 1 . 2]"
1 44 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.001 0.001 14 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.001 0.001 14 0 "[ . 1 . 2]"
1 70 SER 0.007 0.003 15 0 "[ . 1 . 2]"
1 71 GLN 0.003 0.003 14 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 5 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.008 0.003 15 0 "[ . 1 . 2]"
1 75 VAL 0.013 0.004 14 0 "[ . 1 . 2]"
1 76 ASN 0.000 0.000 5 0 "[ . 1 . 2]"
1 77 LEU 0.004 0.004 3 0 "[ . 1 . 2]"
1 78 ARG 0.001 0.001 14 0 "[ . 1 . 2]"
1 79 ALA 0.010 0.004 14 0 "[ . 1 . 2]"
1 80 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.004 0.004 3 0 "[ . 1 . 2]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PRO 0.006 0.002 14 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.018 0.009 20 0 "[ . 1 . 2]"
1 90 GLU 0.006 0.002 14 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 17 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ARG 0.043 0.009 20 0 "[ . 1 . 2]"
1 94 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 0.000 0.000 17 0 "[ . 1 . 2]"
1 96 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASP 0.025 0.008 20 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 23 SER O 1 26 ILE N 3.300 2.500 3.500 3.226 2.979 3.421 . 0 0 "[ . 1 . 2]" 2
2 1 23 SER O 1 26 ILE H 2.300 . 2.500 2.278 2.030 2.500 . 7 0 "[ . 1 . 2]" 2
3 1 24 SER O 1 27 TYR N 3.300 2.500 3.500 2.892 2.794 2.989 . 0 0 "[ . 1 . 2]" 2
4 1 24 SER O 1 27 TYR H 2.300 . 2.500 2.106 1.961 2.203 . 0 0 "[ . 1 . 2]" 2
5 1 24 SER O 1 28 GLN N 3.300 2.500 3.500 3.418 3.332 3.468 . 0 0 "[ . 1 . 2]" 2
6 1 24 SER O 1 28 GLN H 2.300 . 2.500 2.479 2.413 2.508 0.008 19 0 "[ . 1 . 2]" 2
7 1 25 GLU O 1 29 TRP N 3.300 2.500 3.500 2.776 2.687 2.973 . 0 0 "[ . 1 . 2]" 2
8 1 25 GLU O 1 29 TRP H 2.300 . 2.500 1.923 1.838 2.136 . 0 0 "[ . 1 . 2]" 2
9 1 26 ILE O 1 30 VAL N 3.300 2.500 3.500 3.316 3.082 3.443 . 0 0 "[ . 1 . 2]" 2
10 1 26 ILE O 1 30 VAL H 2.300 . 2.500 2.399 2.127 2.501 0.001 8 0 "[ . 1 . 2]" 2
11 1 27 TYR O 1 31 ARG N 3.300 2.500 3.500 3.332 3.014 3.471 . 0 0 "[ . 1 . 2]" 2
12 1 27 TYR O 1 31 ARG H 2.300 . 2.500 2.404 2.040 2.504 0.004 1 0 "[ . 1 . 2]" 2
13 1 28 GLN O 1 32 ASP N 3.300 2.500 3.500 3.071 2.849 3.270 . 0 0 "[ . 1 . 2]" 2
14 1 28 GLN O 1 32 ASP H 2.300 . 2.500 2.163 1.906 2.376 . 0 0 "[ . 1 . 2]" 2
15 1 29 TRP O 1 33 GLU N 3.300 2.500 3.500 2.741 2.608 2.993 . 0 0 "[ . 1 . 2]" 2
16 1 29 TRP O 1 33 GLU H 2.300 . 2.500 1.851 1.667 2.078 . 0 0 "[ . 1 . 2]" 2
17 1 30 VAL O 1 34 LEU N 3.300 2.500 3.500 2.939 2.735 3.158 . 0 0 "[ . 1 . 2]" 2
18 1 30 VAL O 1 34 LEU H 2.300 . 2.500 2.050 1.806 2.350 . 0 0 "[ . 1 . 2]" 2
19 1 31 ARG O 1 35 LYS N 3.300 2.500 3.500 3.208 2.951 3.472 . 0 0 "[ . 1 . 2]" 2
20 1 31 ARG O 1 35 LYS H 2.300 . 2.500 2.332 1.999 2.501 0.001 9 0 "[ . 1 . 2]" 2
21 1 32 ASP O 1 36 ARG N 3.300 2.500 3.500 2.950 2.659 3.269 . 0 0 "[ . 1 . 2]" 2
22 1 32 ASP O 1 36 ARG H 2.300 . 2.500 2.078 1.751 2.475 . 0 0 "[ . 1 . 2]" 2
23 1 33 GLU O 1 37 ALA N 3.300 2.500 3.500 2.810 2.595 3.061 . 0 0 "[ . 1 . 2]" 2
24 1 33 GLU O 1 37 ALA H 2.300 . 2.500 1.917 1.739 2.134 . 0 0 "[ . 1 . 2]" 2
25 1 40 SER O 1 43 VAL N 3.300 2.500 3.500 3.140 3.060 3.275 . 0 0 "[ . 1 . 2]" 2
26 1 40 SER O 1 43 VAL H 2.300 . 2.500 2.444 2.296 2.503 0.003 5 0 "[ . 1 . 2]" 2
27 1 40 SER O 1 44 PHE N 3.300 2.500 3.500 3.195 3.027 3.347 . 0 0 "[ . 1 . 2]" 2
28 1 40 SER O 1 44 PHE H 2.300 . 2.500 2.241 2.094 2.377 . 0 0 "[ . 1 . 2]" 2
29 1 41 GLN O 1 45 ALA N 3.300 2.500 3.500 2.765 2.607 2.931 . 0 0 "[ . 1 . 2]" 2
30 1 41 GLN O 1 45 ALA H 2.300 . 2.500 1.872 1.679 2.016 . 0 0 "[ . 1 . 2]" 2
31 1 42 ALA O 1 46 ARG N 3.300 2.500 3.500 3.173 2.839 3.372 . 0 0 "[ . 1 . 2]" 2
32 1 42 ALA O 1 46 ARG H 2.300 . 2.500 2.358 2.056 2.485 . 0 0 "[ . 1 . 2]" 2
33 1 43 VAL O 1 47 VAL N 3.300 2.500 3.500 3.019 2.693 3.317 . 0 0 "[ . 1 . 2]" 2
34 1 43 VAL O 1 47 VAL H 2.300 . 2.500 2.076 1.745 2.422 . 0 0 "[ . 1 . 2]" 2
35 1 44 PHE O 1 48 ALA N 3.300 2.500 3.500 2.828 2.594 3.241 . 0 0 "[ . 1 . 2]" 2
36 1 44 PHE O 1 48 ALA H 2.300 . 2.500 1.993 1.688 2.416 . 0 0 "[ . 1 . 2]" 2
37 1 45 ALA O 1 49 PHE N 3.300 2.500 3.500 2.908 2.588 3.209 . 0 0 "[ . 1 . 2]" 2
38 1 45 ALA O 1 49 PHE H 2.300 . 2.500 2.086 1.816 2.332 . 0 0 "[ . 1 . 2]" 2
39 1 55 LEU O 1 59 ILE N 3.300 2.500 3.500 2.964 2.802 3.301 . 0 0 "[ . 1 . 2]" 2
40 1 55 LEU O 1 59 ILE H 2.300 . 2.500 2.047 1.847 2.345 . 0 0 "[ . 1 . 2]" 2
41 1 56 LEU O 1 60 LEU N 3.300 2.500 3.500 3.085 2.836 3.404 . 0 0 "[ . 1 . 2]" 2
42 1 56 LEU O 1 60 LEU H 2.300 . 2.500 2.189 1.888 2.492 . 0 0 "[ . 1 . 2]" 2
43 1 57 SER O 1 61 ARG N 3.300 2.500 3.500 2.964 2.617 3.356 . 0 0 "[ . 1 . 2]" 2
44 1 57 SER O 1 61 ARG H 2.300 . 2.500 2.127 1.721 2.501 0.001 14 0 "[ . 1 . 2]" 2
45 1 70 SER O 1 74 LEU N 3.300 2.500 3.500 3.278 2.936 3.432 . 0 0 "[ . 1 . 2]" 2
46 1 70 SER O 1 74 LEU H 2.300 . 2.500 2.378 2.066 2.503 0.003 15 0 "[ . 1 . 2]" 2
47 1 71 GLN O 1 75 VAL N 3.300 2.500 3.500 3.089 2.875 3.315 . 0 0 "[ . 1 . 2]" 2
48 1 71 GLN O 1 75 VAL H 2.300 . 2.500 2.226 1.952 2.503 0.003 14 0 "[ . 1 . 2]" 2
49 1 72 SER O 1 76 ASN N 3.300 2.500 3.500 3.236 2.926 3.385 . 0 0 "[ . 1 . 2]" 2
50 1 72 SER O 1 76 ASN H 2.300 . 2.500 2.328 2.032 2.500 0.000 5 0 "[ . 1 . 2]" 2
51 1 73 LEU O 1 77 LEU N 3.300 2.500 3.500 2.972 2.705 3.223 . 0 0 "[ . 1 . 2]" 2
52 1 73 LEU O 1 77 LEU H 2.300 . 2.500 2.030 1.739 2.322 . 0 0 "[ . 1 . 2]" 2
53 1 74 LEU O 1 78 ARG N 3.300 2.500 3.500 3.038 2.651 3.339 . 0 0 "[ . 1 . 2]" 2
54 1 74 LEU O 1 78 ARG H 2.300 . 2.500 2.182 1.733 2.501 0.001 14 0 "[ . 1 . 2]" 2
55 1 75 VAL O 1 79 ALA N 3.300 2.500 3.500 3.261 3.002 3.475 . 0 0 "[ . 1 . 2]" 2
56 1 75 VAL O 1 79 ALA H 2.300 . 2.500 2.352 2.092 2.504 0.004 14 0 "[ . 1 . 2]" 2
57 1 76 ASN O 1 80 MET N 3.300 2.500 3.500 3.230 2.937 3.408 . 0 0 "[ . 1 . 2]" 2
58 1 76 ASN O 1 80 MET H 2.300 . 2.500 2.315 2.006 2.500 . 0 0 "[ . 1 . 2]" 2
59 1 77 LEU O 1 81 GLN N 3.300 2.500 3.500 3.016 2.788 3.433 . 0 0 "[ . 1 . 2]" 2
60 1 77 LEU O 1 81 GLN H 2.300 . 2.500 2.142 1.902 2.504 0.004 3 0 "[ . 1 . 2]" 2
61 1 78 ARG O 1 82 ASN N 3.300 2.500 3.500 3.110 2.824 3.321 . 0 0 "[ . 1 . 2]" 2
62 1 78 ARG O 1 82 ASN H 2.300 . 2.500 2.177 1.852 2.436 . 0 0 "[ . 1 . 2]" 2
63 1 79 ALA O 1 83 PHE N 3.300 2.500 3.500 3.133 2.912 3.358 . 0 0 "[ . 1 . 2]" 2
64 1 79 ALA O 1 83 PHE H 2.300 . 2.500 2.206 2.007 2.449 . 0 0 "[ . 1 . 2]" 2
65 1 80 MET O 1 84 LEU N 3.300 2.500 3.500 3.068 2.666 3.332 . 0 0 "[ . 1 . 2]" 2
66 1 80 MET O 1 84 LEU H 2.300 . 2.500 2.195 1.788 2.459 . 0 0 "[ . 1 . 2]" 2
67 1 81 GLN O 1 85 GLN N 3.300 2.500 3.500 2.782 2.635 3.013 . 0 0 "[ . 1 . 2]" 2
68 1 81 GLN O 1 85 GLN H 2.300 . 2.500 1.970 1.772 2.246 . 0 0 "[ . 1 . 2]" 2
69 1 82 ASN O 1 86 LEU N 3.300 2.500 3.500 3.084 2.825 3.291 . 0 0 "[ . 1 . 2]" 2
70 1 82 ASN O 1 86 LEU H 2.300 . 2.500 2.281 2.057 2.481 . 0 0 "[ . 1 . 2]" 2
71 1 87 PRO O 1 90 GLU N 3.300 2.500 3.500 3.150 2.986 3.242 . 0 0 "[ . 1 . 2]" 2
72 1 87 PRO O 1 90 GLU H 2.300 . 2.500 2.446 2.212 2.502 0.002 14 0 "[ . 1 . 2]" 2
73 1 87 PRO O 1 91 ARG N 3.300 2.500 3.500 3.208 2.886 3.378 . 0 0 "[ . 1 . 2]" 2
74 1 87 PRO O 1 91 ARG H 2.300 . 2.500 2.260 1.930 2.440 . 0 0 "[ . 1 . 2]" 2
75 1 88 GLU O 1 92 ASP N 3.300 2.500 3.500 2.978 2.753 3.272 . 0 0 "[ . 1 . 2]" 2
76 1 88 GLU O 1 92 ASP H 2.300 . 2.500 2.068 1.907 2.313 . 0 0 "[ . 1 . 2]" 2
77 1 89 ALA O 1 93 ARG N 3.300 2.500 3.500 3.342 3.073 3.468 . 0 0 "[ . 1 . 2]" 2
78 1 89 ALA O 1 93 ARG H 2.300 . 2.500 2.445 2.241 2.509 0.009 20 0 "[ . 1 . 2]" 2
79 1 90 GLU O 1 94 ILE N 3.300 2.500 3.500 3.062 2.874 3.278 . 0 0 "[ . 1 . 2]" 2
80 1 90 GLU O 1 94 ILE H 2.300 . 2.500 2.140 1.973 2.332 . 0 0 "[ . 1 . 2]" 2
81 1 91 ARG O 1 95 TYR N 3.300 2.500 3.500 2.932 2.757 3.111 . 0 0 "[ . 1 . 2]" 2
82 1 91 ARG O 1 95 TYR H 2.300 . 2.500 2.066 1.828 2.500 0.000 17 0 "[ . 1 . 2]" 2
83 1 92 ASP O 1 96 GLN N 3.300 2.500 3.500 2.993 2.698 3.293 . 0 0 "[ . 1 . 2]" 2
84 1 92 ASP O 1 96 GLN H 2.300 . 2.500 2.107 1.757 2.495 . 0 0 "[ . 1 . 2]" 2
85 1 93 ARG O 1 97 ASP N 3.300 2.500 3.500 2.897 2.605 3.383 . 0 0 "[ . 1 . 2]" 2
86 1 93 ARG O 1 97 ASP H 2.300 . 2.500 2.203 1.706 2.508 0.008 20 0 "[ . 1 . 2]" 2
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