NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401652 |
1w09   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w09
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 1312
_Distance_constraint_stats_list.Viol_count 1906
_Distance_constraint_stats_list.Viol_total 1176.904
_Distance_constraint_stats_list.Viol_max 0.295
_Distance_constraint_stats_list.Viol_rms 0.0110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0309
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LEU 0.145 0.051 18 0 "[ . 1 . 2]"
1 2 LEU 0.518 0.066 6 0 "[ . 1 . 2]"
1 3 LYS 0.496 0.089 8 0 "[ . 1 . 2]"
1 4 ALA 0.810 0.089 8 0 "[ . 1 . 2]"
1 5 ASN 0.141 0.045 9 0 "[ . 1 . 2]"
1 6 LYS 0.232 0.027 13 0 "[ . 1 . 2]"
1 7 ASP 1.633 0.066 15 0 "[ . 1 . 2]"
1 8 LEU 1.758 0.126 13 0 "[ . 1 . 2]"
1 9 ILE 0.262 0.103 16 0 "[ . 1 . 2]"
1 10 SER 1.375 0.103 16 0 "[ . 1 . 2]"
1 11 ALA 3.855 0.163 17 0 "[ . 1 . 2]"
1 12 GLY 0.919 0.073 3 0 "[ . 1 . 2]"
1 13 LEU 4.559 0.139 11 0 "[ . 1 . 2]"
1 14 LYS 5.446 0.163 17 0 "[ . 1 . 2]"
1 15 GLU 1.675 0.071 11 0 "[ . 1 . 2]"
1 16 PHE 4.656 0.139 11 0 "[ . 1 . 2]"
1 17 SER 1.193 0.092 6 0 "[ . 1 . 2]"
1 18 VAL 0.028 0.013 15 0 "[ . 1 . 2]"
1 19 LEU 0.958 0.080 3 0 "[ . 1 . 2]"
1 20 LEU 1.111 0.077 13 0 "[ . 1 . 2]"
1 21 ASN 0.131 0.034 3 0 "[ . 1 . 2]"
1 22 GLN 1.020 0.120 16 0 "[ . 1 . 2]"
1 23 GLN 1.048 0.069 6 0 "[ . 1 . 2]"
1 24 VAL 0.197 0.047 19 0 "[ . 1 . 2]"
1 25 PHE 4.639 0.199 14 0 "[ . 1 . 2]"
1 26 ASN 0.059 0.028 10 0 "[ . 1 . 2]"
1 27 ASP 2.132 0.199 14 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.948 0.139 8 0 "[ . 1 . 2]"
1 30 VAL 1.166 0.101 5 0 "[ . 1 . 2]"
1 31 SER 0.372 0.063 17 0 "[ . 1 . 2]"
1 32 GLU 1.052 0.056 14 0 "[ . 1 . 2]"
1 33 GLU 0.703 0.056 14 0 "[ . 1 . 2]"
1 34 ASP 1.861 0.101 5 0 "[ . 1 . 2]"
1 35 MET 0.333 0.054 14 0 "[ . 1 . 2]"
1 36 VAL 0.415 0.086 7 0 "[ . 1 . 2]"
1 37 THR 1.000 0.086 7 0 "[ . 1 . 2]"
1 38 VAL 0.043 0.028 3 0 "[ . 1 . 2]"
1 39 VAL 0.295 0.033 8 0 "[ . 1 . 2]"
1 40 GLU 0.767 0.100 19 0 "[ . 1 . 2]"
1 41 ASP 0.140 0.031 9 0 "[ . 1 . 2]"
1 42 TRP 1.941 0.078 18 0 "[ . 1 . 2]"
1 43 MET 2.601 0.125 1 0 "[ . 1 . 2]"
1 44 ASN 0.927 0.077 9 0 "[ . 1 . 2]"
1 45 PHE 1.618 0.078 18 0 "[ . 1 . 2]"
1 46 TYR 3.207 0.125 1 0 "[ . 1 . 2]"
1 47 ILE 1.560 0.077 9 0 "[ . 1 . 2]"
1 48 ASN 0.120 0.025 7 0 "[ . 1 . 2]"
1 49 TYR 4.569 0.103 15 0 "[ . 1 . 2]"
1 50 TYR 6.291 0.133 12 0 "[ . 1 . 2]"
1 51 ARG 1.219 0.082 7 0 "[ . 1 . 2]"
1 52 GLN 1.194 0.084 2 0 "[ . 1 . 2]"
1 53 GLN 1.889 0.122 12 0 "[ . 1 . 2]"
1 54 VAL 1.887 0.093 13 0 "[ . 1 . 2]"
1 55 THR 0.159 0.038 13 0 "[ . 1 . 2]"
1 56 GLY 0.165 0.038 13 0 "[ . 1 . 2]"
1 57 GLU 0.315 0.295 9 0 "[ . 1 . 2]"
1 58 PRO 0.329 0.112 9 0 "[ . 1 . 2]"
1 59 GLN 0.651 0.054 9 0 "[ . 1 . 2]"
1 60 GLU 2.308 0.295 9 0 "[ . 1 . 2]"
1 61 ARG 2.286 0.139 1 0 "[ . 1 . 2]"
1 62 ASP 1.494 0.140 20 0 "[ . 1 . 2]"
1 63 LYS 2.151 0.147 9 0 "[ . 1 . 2]"
1 64 ALA 0.860 0.047 7 0 "[ . 1 . 2]"
1 65 LEU 3.783 0.140 20 0 "[ . 1 . 2]"
1 66 GLN 0.637 0.101 6 0 "[ . 1 . 2]"
1 67 GLU 1.222 0.052 2 0 "[ . 1 . 2]"
1 68 LEU 2.010 0.071 12 0 "[ . 1 . 2]"
1 69 ARG 1.473 0.075 8 0 "[ . 1 . 2]"
1 70 GLN 0.814 0.052 2 0 "[ . 1 . 2]"
1 71 GLU 0.144 0.038 7 0 "[ . 1 . 2]"
1 72 LEU 1.736 0.075 8 0 "[ . 1 . 2]"
1 73 ASN 1.082 0.046 11 0 "[ . 1 . 2]"
1 74 THR 0.674 0.046 11 0 "[ . 1 . 2]"
1 75 LEU 0.831 0.068 7 0 "[ . 1 . 2]"
1 76 ALA 0.027 0.027 19 0 "[ . 1 . 2]"
1 77 ASN 0.021 0.014 5 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PHE 1.854 0.077 13 0 "[ . 1 . 2]"
1 80 LEU 0.596 0.034 11 0 "[ . 1 . 2]"
1 81 ALA 0.075 0.051 9 0 "[ . 1 . 2]"
1 82 LYS 0.851 0.090 11 0 "[ . 1 . 2]"
1 83 TYR 1.565 0.057 9 0 "[ . 1 . 2]"
1 84 ARG 0.504 0.072 11 0 "[ . 1 . 2]"
1 85 ASP 0.028 0.028 1 0 "[ . 1 . 2]"
1 86 PHE 0.471 0.045 16 0 "[ . 1 . 2]"
1 87 LEU 0.771 0.049 7 0 "[ . 1 . 2]"
1 88 LYS 0.294 0.048 16 0 "[ . 1 . 2]"
1 89 SER 0.294 0.048 16 0 "[ . 1 . 2]"
1 90 HIS 0.287 0.045 16 0 "[ . 1 . 2]"
1 91 GLU 0.002 0.002 12 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU H 1 2 LEU HG 3.000 . 3.500 2.922 1.974 3.566 0.066 6 0 "[ . 1 . 2]" 1
2 1 2 LEU H 1 2 LEU QB 3.000 . 3.500 2.840 2.173 3.361 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU H 1 2 LEU QD 4.000 . 4.750 2.872 1.765 3.829 0.035 6 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 3 LYS HA 3.000 . 3.500 2.803 2.742 2.871 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 3 LYS QB 3.000 . 3.500 2.339 2.063 2.720 . 0 0 "[ . 1 . 2]" 1
6 1 3 LYS H 1 3 LYS QG 4.000 . 4.750 3.224 1.948 4.041 . 0 0 "[ . 1 . 2]" 1
7 1 3 LYS HA 1 3 LYS QB 2.500 . 2.800 2.356 2.169 2.524 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA H 1 4 ALA HA 3.000 . 3.500 2.799 2.778 2.834 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA H 1 4 ALA MB 3.000 . 3.500 2.128 2.041 2.229 . 0 0 "[ . 1 . 2]" 1
10 1 5 ASN H 1 5 ASN HA 3.000 . 3.500 2.818 2.802 2.826 . 0 0 "[ . 1 . 2]" 1
11 1 5 ASN HA 1 5 ASN QB 2.500 . 2.800 2.454 2.181 2.544 . 0 0 "[ . 1 . 2]" 1
12 1 6 LYS H 1 6 LYS HA 3.000 . 3.500 2.798 2.781 2.817 . 0 0 "[ . 1 . 2]" 1
13 1 6 LYS H 1 6 LYS QB 3.000 . 3.500 2.187 2.040 2.415 . 0 0 "[ . 1 . 2]" 1
14 1 7 ASP H 1 7 ASP HA 3.000 . 3.500 2.838 2.819 2.869 . 0 0 "[ . 1 . 2]" 1
15 1 7 ASP H 1 7 ASP QB 3.000 . 3.500 2.198 2.069 2.291 . 0 0 "[ . 1 . 2]" 1
16 1 8 LEU H 1 8 LEU HA 3.000 . 3.500 2.812 2.780 2.835 . 0 0 "[ . 1 . 2]" 1
17 1 8 LEU H 1 8 LEU HG 4.000 . 4.750 4.394 3.483 4.547 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU H 1 8 LEU MD1 4.000 . 4.750 4.121 3.761 4.369 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU H 1 8 LEU MD2 5.000 . 6.000 3.939 2.969 4.311 . 0 0 "[ . 1 . 2]" 1
20 1 8 LEU H 1 8 LEU QB 3.000 . 3.500 2.171 2.023 2.252 . 0 0 "[ . 1 . 2]" 1
21 1 8 LEU HA 1 8 LEU MD1 3.000 . 3.500 2.694 2.065 3.626 0.126 13 0 "[ . 1 . 2]" 1
22 1 8 LEU HA 1 8 LEU QB 2.500 . 2.800 2.434 2.316 2.544 . 0 0 "[ . 1 . 2]" 1
23 1 8 LEU QB 1 8 LEU MD1 3.000 . 3.500 2.097 1.935 2.372 . 0 0 "[ . 1 . 2]" 1
24 1 9 ILE H 1 9 ILE HA 3.000 . 3.500 2.811 2.790 2.824 . 0 0 "[ . 1 . 2]" 1
25 1 9 ILE H 1 9 ILE HB 3.000 . 3.500 2.546 2.270 2.659 . 0 0 "[ . 1 . 2]" 1
26 1 9 ILE H 1 9 ILE MG 4.000 . 4.750 3.487 2.488 3.775 . 0 0 "[ . 1 . 2]" 1
27 1 9 ILE HA 1 9 ILE HB 3.000 . 3.500 2.922 2.570 3.026 . 0 0 "[ . 1 . 2]" 1
28 1 10 SER H 1 10 SER HA 3.000 . 3.500 2.761 2.733 2.792 . 0 0 "[ . 1 . 2]" 1
29 1 10 SER H 1 10 SER QB 3.000 . 3.500 2.248 2.042 2.554 . 0 0 "[ . 1 . 2]" 1
30 1 10 SER HA 1 10 SER QB 2.500 . 2.800 2.399 2.183 2.544 . 0 0 "[ . 1 . 2]" 1
31 1 11 ALA H 1 11 ALA HA 3.000 . 3.500 2.828 2.794 2.860 . 0 0 "[ . 1 . 2]" 1
32 1 11 ALA H 1 11 ALA MB 3.000 . 3.500 2.186 2.087 2.276 . 0 0 "[ . 1 . 2]" 1
33 1 13 LEU H 1 13 LEU HA 3.000 . 3.500 2.815 2.781 2.866 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU H 1 13 LEU HB3 3.000 . 3.500 3.428 3.381 3.462 . 0 0 "[ . 1 . 2]" 1
35 1 13 LEU H 1 13 LEU HB2 3.000 . 3.500 2.134 2.110 2.159 . 0 0 "[ . 1 . 2]" 1
36 1 13 LEU HA 1 13 LEU HB3 3.000 . 3.500 2.765 2.746 2.768 . 0 0 "[ . 1 . 2]" 1
37 1 13 LEU HA 1 13 LEU HB2 2.500 . 2.800 2.894 2.887 2.907 0.107 13 0 "[ . 1 . 2]" 1
38 1 14 LYS H 1 14 LYS HA 3.000 . 3.500 2.795 2.776 2.813 . 0 0 "[ . 1 . 2]" 1
39 1 14 LYS H 1 14 LYS QB 3.000 . 3.500 2.363 2.189 2.805 . 0 0 "[ . 1 . 2]" 1
40 1 14 LYS H 1 14 LYS QG 4.000 . 4.750 3.017 1.901 3.983 . 0 0 "[ . 1 . 2]" 1
41 1 14 LYS HA 1 14 LYS QB 2.500 . 2.800 2.247 2.172 2.320 . 0 0 "[ . 1 . 2]" 1
42 1 14 LYS HA 1 14 LYS QG 3.000 . 3.500 3.012 2.566 3.417 . 0 0 "[ . 1 . 2]" 1
43 1 15 GLU H 1 15 GLU HA 3.000 . 3.500 2.817 2.793 2.844 . 0 0 "[ . 1 . 2]" 1
44 1 15 GLU H 1 15 GLU QB 3.000 . 3.500 2.161 2.063 2.359 . 0 0 "[ . 1 . 2]" 1
45 1 16 PHE H 1 16 PHE HA 3.000 . 3.500 2.840 2.807 2.858 . 0 0 "[ . 1 . 2]" 1
46 1 16 PHE H 1 16 PHE HB3 3.000 . 3.500 2.929 2.828 3.074 . 0 0 "[ . 1 . 2]" 1
47 1 16 PHE H 1 16 PHE HB2 4.000 . 4.750 2.224 2.105 2.299 . 0 0 "[ . 1 . 2]" 1
48 1 16 PHE H 1 16 PHE QD 4.000 . 4.750 3.993 3.876 4.114 . 0 0 "[ . 1 . 2]" 1
49 1 16 PHE HA 1 16 PHE HB3 3.000 . 3.500 2.972 2.939 2.996 . 0 0 "[ . 1 . 2]" 1
50 1 16 PHE HA 1 16 PHE QD 3.000 . 3.500 1.819 1.758 1.934 0.042 16 0 "[ . 1 . 2]" 1
51 1 16 PHE HB3 1 16 PHE QD 3.000 . 3.500 2.374 2.302 2.689 . 0 0 "[ . 1 . 2]" 1
52 1 16 PHE HB2 1 16 PHE QD 3.000 . 3.500 2.742 2.503 2.764 . 0 0 "[ . 1 . 2]" 1
53 1 17 SER H 1 17 SER HA 3.000 . 3.500 2.786 2.776 2.810 . 0 0 "[ . 1 . 2]" 1
54 1 17 SER H 1 17 SER QB 3.000 . 3.500 2.324 2.074 2.516 . 0 0 "[ . 1 . 2]" 1
55 1 17 SER HA 1 17 SER QB 2.500 . 2.800 2.348 2.191 2.539 . 0 0 "[ . 1 . 2]" 1
56 1 18 VAL H 1 18 VAL HA 3.000 . 3.500 2.825 2.805 2.861 . 0 0 "[ . 1 . 2]" 1
57 1 18 VAL H 1 18 VAL HB 3.000 . 3.500 2.549 2.402 2.637 . 0 0 "[ . 1 . 2]" 1
58 1 18 VAL H 1 18 VAL MG1 4.000 . 4.750 3.767 3.739 3.776 . 0 0 "[ . 1 . 2]" 1
59 1 18 VAL H 1 18 VAL MG2 4.000 . 4.750 2.097 1.960 2.273 . 0 0 "[ . 1 . 2]" 1
60 1 18 VAL HA 1 18 VAL HB 3.000 . 3.500 3.023 3.019 3.027 . 0 0 "[ . 1 . 2]" 1
61 1 18 VAL HA 1 18 VAL MG1 3.000 . 3.500 2.385 2.266 2.452 . 0 0 "[ . 1 . 2]" 1
62 1 18 VAL HA 1 18 VAL MG2 3.000 . 3.500 2.434 2.316 2.489 . 0 0 "[ . 1 . 2]" 1
63 1 19 LEU H 1 19 LEU HA 3.000 . 3.500 2.827 2.797 2.848 . 0 0 "[ . 1 . 2]" 1
64 1 19 LEU H 1 19 LEU HB3 3.000 . 3.500 2.342 2.203 2.447 . 0 0 "[ . 1 . 2]" 1
65 1 19 LEU H 1 19 LEU HB2 3.000 . 3.500 2.684 2.580 2.847 . 0 0 "[ . 1 . 2]" 1
66 1 19 LEU H 1 19 LEU HG 5.000 . 6.000 4.379 4.307 4.425 . 0 0 "[ . 1 . 2]" 1
67 1 19 LEU H 1 19 LEU MD1 5.000 . 6.000 4.228 4.151 4.366 . 0 0 "[ . 1 . 2]" 1
68 1 19 LEU H 1 19 LEU MD2 5.000 . 6.000 4.066 3.798 4.158 . 0 0 "[ . 1 . 2]" 1
69 1 19 LEU HA 1 19 LEU HB3 3.000 . 3.500 3.010 2.994 3.018 . 0 0 "[ . 1 . 2]" 1
70 1 19 LEU HA 1 19 LEU HB2 3.000 . 3.500 2.381 2.329 2.429 . 0 0 "[ . 1 . 2]" 1
71 1 19 LEU HA 1 19 LEU HG 4.000 . 4.750 2.956 2.706 3.223 . 0 0 "[ . 1 . 2]" 1
72 1 19 LEU HA 1 19 LEU MD1 4.000 . 4.750 2.664 2.212 3.036 . 0 0 "[ . 1 . 2]" 1
73 1 20 LEU H 1 20 LEU MD1 5.000 . 6.000 3.412 2.871 4.067 . 0 0 "[ . 1 . 2]" 1
74 1 20 LEU H 1 20 LEU MD2 5.000 . 6.000 3.099 2.023 3.694 . 0 0 "[ . 1 . 2]" 1
75 1 20 LEU HA 1 20 LEU MD2 4.000 . 4.750 2.248 1.812 2.862 . 0 0 "[ . 1 . 2]" 1
76 1 20 LEU HA 1 20 LEU QB 2.500 . 2.800 2.304 2.255 2.380 . 0 0 "[ . 1 . 2]" 1
77 1 21 ASN H 1 21 ASN HA 3.000 . 3.500 2.886 2.862 2.895 . 0 0 "[ . 1 . 2]" 1
78 1 21 ASN H 1 21 ASN QB 3.000 . 3.500 2.209 2.105 2.342 . 0 0 "[ . 1 . 2]" 1
79 1 21 ASN H 1 21 ASN QD 5.000 . 6.000 3.520 2.240 4.689 . 0 0 "[ . 1 . 2]" 1
80 1 21 ASN HA 1 21 ASN QB 2.500 . 2.800 2.380 2.153 2.528 . 0 0 "[ . 1 . 2]" 1
81 1 22 GLN H 1 22 GLN HA 3.000 . 3.500 2.943 2.938 2.953 . 0 0 "[ . 1 . 2]" 1
82 1 22 GLN H 1 22 GLN QB 3.000 . 3.500 2.434 2.312 2.617 . 0 0 "[ . 1 . 2]" 1
83 1 22 GLN H 1 22 GLN QG 4.000 . 4.750 3.734 2.605 4.113 . 0 0 "[ . 1 . 2]" 1
84 1 22 GLN HA 1 22 GLN QG 3.000 . 3.500 2.332 2.062 3.386 . 0 0 "[ . 1 . 2]" 1
85 1 23 GLN H 1 23 GLN HA 3.000 . 3.500 2.765 2.300 2.857 . 0 0 "[ . 1 . 2]" 1
86 1 23 GLN H 1 23 GLN QB 3.000 . 3.500 2.206 2.034 3.424 . 0 0 "[ . 1 . 2]" 1
87 1 23 GLN H 1 23 GLN QG 3.000 . 3.500 3.192 1.850 3.536 0.036 18 0 "[ . 1 . 2]" 1
88 1 23 GLN HA 1 23 GLN QB 2.500 . 2.800 2.488 2.172 2.554 . 0 0 "[ . 1 . 2]" 1
89 1 23 GLN HA 1 23 GLN QE 4.000 . 4.750 3.349 1.982 4.796 0.046 14 0 "[ . 1 . 2]" 1
90 1 24 VAL H 1 24 VAL HA 3.000 . 3.500 2.593 2.290 2.935 . 0 0 "[ . 1 . 2]" 1
91 1 24 VAL HA 1 24 VAL HB 3.000 . 3.500 2.882 2.443 3.025 . 0 0 "[ . 1 . 2]" 1
92 1 25 PHE H 1 25 PHE HB3 4.000 . 4.750 3.724 3.594 3.792 . 0 0 "[ . 1 . 2]" 1
93 1 25 PHE H 1 25 PHE HB2 3.000 . 3.500 2.603 2.404 2.722 . 0 0 "[ . 1 . 2]" 1
94 1 25 PHE H 1 25 PHE QD 4.000 . 4.750 2.355 1.896 3.766 . 0 0 "[ . 1 . 2]" 1
95 1 25 PHE HA 1 25 PHE QD 3.000 . 3.500 2.968 1.928 3.227 . 0 0 "[ . 1 . 2]" 1
96 1 25 PHE HA 1 25 PHE QE 4.000 . 4.750 4.693 4.240 4.804 0.054 6 0 "[ . 1 . 2]" 1
97 1 25 PHE HB3 1 25 PHE QD 3.000 . 3.500 2.361 2.264 2.758 . 0 0 "[ . 1 . 2]" 1
98 1 25 PHE HB2 1 25 PHE QD 3.000 . 3.500 2.529 2.341 2.652 . 0 0 "[ . 1 . 2]" 1
99 1 27 ASP H 1 27 ASP QB 3.000 . 3.500 2.545 2.049 2.975 . 0 0 "[ . 1 . 2]" 1
100 1 29 LEU H 1 29 LEU HA 3.000 . 3.500 2.798 2.264 2.944 . 0 0 "[ . 1 . 2]" 1
101 1 29 LEU H 1 29 LEU HG 3.000 . 3.500 2.796 2.052 3.546 0.046 7 0 "[ . 1 . 2]" 1
102 1 29 LEU H 1 29 LEU MD1 5.000 . 6.000 3.156 1.935 4.405 . 0 0 "[ . 1 . 2]" 1
103 1 29 LEU H 1 29 LEU MD2 4.000 . 4.750 3.833 2.225 4.387 . 0 0 "[ . 1 . 2]" 1
104 1 29 LEU HA 1 29 LEU HG 3.000 . 3.500 2.733 2.397 3.639 0.139 8 0 "[ . 1 . 2]" 1
105 1 29 LEU HA 1 29 LEU MD1 4.000 . 4.750 3.799 3.529 4.108 . 0 0 "[ . 1 . 2]" 1
106 1 29 LEU HA 1 29 LEU MD2 3.000 . 3.500 2.834 1.903 3.506 0.006 8 0 "[ . 1 . 2]" 1
107 1 29 LEU QB 1 29 LEU HG 2.500 . 2.800 2.475 2.294 2.540 . 0 0 "[ . 1 . 2]" 1
108 1 29 LEU QB 1 29 LEU MD2 2.500 . 2.800 2.067 1.902 2.374 . 0 0 "[ . 1 . 2]" 1
109 1 30 VAL H 1 30 VAL HA 3.000 . 3.500 2.868 2.847 2.903 . 0 0 "[ . 1 . 2]" 1
110 1 30 VAL HA 1 30 VAL HB 3.000 . 3.500 2.470 2.436 2.604 . 0 0 "[ . 1 . 2]" 1
111 1 32 GLU H 1 32 GLU QG 4.000 . 4.750 2.758 1.820 3.714 . 0 0 "[ . 1 . 2]" 1
112 1 33 GLU H 1 33 GLU HA 3.000 . 3.500 2.827 2.802 2.842 . 0 0 "[ . 1 . 2]" 1
113 1 33 GLU H 1 33 GLU QB 3.000 . 3.500 2.377 2.112 2.707 . 0 0 "[ . 1 . 2]" 1
114 1 33 GLU H 1 33 GLU QG 4.000 . 4.750 2.963 1.948 4.017 . 0 0 "[ . 1 . 2]" 1
115 1 33 GLU HA 1 33 GLU QB 2.500 . 2.800 2.348 2.174 2.506 . 0 0 "[ . 1 . 2]" 1
116 1 35 MET H 1 35 MET ME 5.000 . 6.000 4.933 3.841 5.508 . 0 0 "[ . 1 . 2]" 1
117 1 35 MET H 1 35 MET QG 4.000 . 4.750 4.018 3.885 4.067 . 0 0 "[ . 1 . 2]" 1
118 1 35 MET HA 1 35 MET ME 5.000 . 6.000 3.207 1.959 4.322 . 0 0 "[ . 1 . 2]" 1
119 1 36 VAL H 1 36 VAL HB 3.000 . 3.500 2.596 2.534 2.662 . 0 0 "[ . 1 . 2]" 1
120 1 36 VAL H 1 36 VAL MG1 4.000 . 4.750 3.770 3.760 3.775 . 0 0 "[ . 1 . 2]" 1
121 1 36 VAL H 1 36 VAL MG2 4.000 . 4.750 2.110 1.946 2.245 . 0 0 "[ . 1 . 2]" 1
122 1 36 VAL HA 1 36 VAL HB 3.000 . 3.500 3.025 3.022 3.027 . 0 0 "[ . 1 . 2]" 1
123 1 36 VAL HA 1 36 VAL MG1 3.000 . 3.500 2.398 2.335 2.440 . 0 0 "[ . 1 . 2]" 1
124 1 36 VAL HA 1 36 VAL MG2 3.000 . 3.500 2.403 2.344 2.466 . 0 0 "[ . 1 . 2]" 1
125 1 37 THR H 1 37 THR HA 3.000 . 3.500 2.804 2.792 2.824 . 0 0 "[ . 1 . 2]" 1
126 1 37 THR H 1 37 THR HB 4.000 . 4.750 2.745 2.108 3.395 . 0 0 "[ . 1 . 2]" 1
127 1 37 THR HA 1 37 THR HB 3.000 . 3.500 2.845 2.695 3.011 . 0 0 "[ . 1 . 2]" 1
128 1 38 VAL H 1 38 VAL HB 4.000 . 4.750 2.649 2.606 2.687 . 0 0 "[ . 1 . 2]" 1
129 1 38 VAL H 1 38 VAL MG2 4.000 . 4.750 2.000 1.945 2.052 . 0 0 "[ . 1 . 2]" 1
130 1 39 VAL H 1 39 VAL HB 3.000 . 3.500 2.640 2.575 2.761 . 0 0 "[ . 1 . 2]" 1
131 1 39 VAL H 1 39 VAL MG2 4.000 . 4.750 2.058 1.965 2.213 . 0 0 "[ . 1 . 2]" 1
132 1 40 GLU H 1 40 GLU HA 3.000 . 3.500 2.783 2.774 2.797 . 0 0 "[ . 1 . 2]" 1
133 1 40 GLU H 1 40 GLU QB 3.000 . 3.500 2.055 2.037 2.094 . 0 0 "[ . 1 . 2]" 1
134 1 40 GLU H 1 40 GLU QG 3.000 . 3.500 3.410 3.154 3.600 0.100 19 0 "[ . 1 . 2]" 1
135 1 40 GLU HA 1 40 GLU QG 3.000 . 3.500 2.127 2.004 2.920 . 0 0 "[ . 1 . 2]" 1
136 1 41 ASP H 1 41 ASP QB 3.000 . 3.500 2.189 2.052 2.617 . 0 0 "[ . 1 . 2]" 1
137 1 42 TRP H 1 42 TRP HB3 4.000 . 4.750 3.508 3.433 3.568 . 0 0 "[ . 1 . 2]" 1
138 1 42 TRP H 1 42 TRP HD1 5.000 . 6.000 3.806 3.587 4.070 . 0 0 "[ . 1 . 2]" 1
139 1 42 TRP HA 1 42 TRP HD1 3.000 . 3.500 2.009 1.916 2.135 . 0 0 "[ . 1 . 2]" 1
140 1 42 TRP HA 1 42 TRP HE1 5.000 . 6.000 4.522 4.419 4.644 . 0 0 "[ . 1 . 2]" 1
141 1 42 TRP HB2 1 42 TRP HE3 3.000 . 3.500 2.656 2.572 2.817 . 0 0 "[ . 1 . 2]" 1
142 1 43 MET H 1 43 MET HA 3.000 . 3.500 2.821 2.793 2.848 . 0 0 "[ . 1 . 2]" 1
143 1 43 MET H 1 43 MET QG 4.000 . 4.750 3.146 2.149 3.983 . 0 0 "[ . 1 . 2]" 1
144 1 43 MET HA 1 43 MET ME 4.000 . 4.750 4.350 3.702 4.770 0.020 8 0 "[ . 1 . 2]" 1
145 1 43 MET HA 1 43 MET QG 3.000 . 3.500 2.542 2.165 3.345 . 0 0 "[ . 1 . 2]" 1
146 1 44 ASN H 1 44 ASN HA 3.000 . 3.500 2.854 2.833 2.866 . 0 0 "[ . 1 . 2]" 1
147 1 44 ASN H 1 44 ASN QB 3.000 . 3.500 2.185 2.078 2.698 . 0 0 "[ . 1 . 2]" 1
148 1 44 ASN H 1 44 ASN QD 5.000 . 6.000 3.460 2.384 4.665 . 0 0 "[ . 1 . 2]" 1
149 1 44 ASN HA 1 44 ASN QD 4.000 . 4.750 3.614 2.152 4.281 . 0 0 "[ . 1 . 2]" 1
150 1 45 PHE H 1 45 PHE QD 4.000 . 4.750 3.657 3.520 3.919 . 0 0 "[ . 1 . 2]" 1
151 1 45 PHE HA 1 45 PHE QD 3.000 . 3.500 3.071 2.800 3.257 . 0 0 "[ . 1 . 2]" 1
152 1 46 TYR H 1 46 TYR HA 3.000 . 3.500 2.836 2.800 2.866 . 0 0 "[ . 1 . 2]" 1
153 1 46 TYR H 1 46 TYR QD 4.000 . 4.750 3.374 3.137 3.529 . 0 0 "[ . 1 . 2]" 1
154 1 46 TYR HA 1 46 TYR QD 3.000 . 3.500 2.121 2.004 2.324 . 0 0 "[ . 1 . 2]" 1
155 1 47 ILE H 1 47 ILE HB 3.000 . 3.500 2.216 2.090 2.365 . 0 0 "[ . 1 . 2]" 1
156 1 47 ILE H 1 47 ILE MG 4.000 . 4.750 3.592 3.182 3.721 . 0 0 "[ . 1 . 2]" 1
157 1 47 ILE H 1 47 ILE MD 4.000 . 4.750 3.364 2.103 3.955 . 0 0 "[ . 1 . 2]" 1
158 1 47 ILE H 1 47 ILE QG 4.000 . 4.750 2.891 2.249 3.908 . 0 0 "[ . 1 . 2]" 1
159 1 47 ILE HA 1 47 ILE HB 3.000 . 3.500 2.956 2.797 3.008 . 0 0 "[ . 1 . 2]" 1
160 1 47 ILE HA 1 47 ILE MG 3.000 . 3.500 2.713 2.513 3.055 . 0 0 "[ . 1 . 2]" 1
161 1 47 ILE HA 1 47 ILE MD 3.000 . 3.500 1.953 1.880 2.190 . 0 0 "[ . 1 . 2]" 1
162 1 47 ILE HA 1 47 ILE QG 3.000 . 3.500 2.629 2.499 2.733 . 0 0 "[ . 1 . 2]" 1
163 1 47 ILE HB 1 47 ILE MD 3.000 . 3.500 3.039 2.505 3.224 . 0 0 "[ . 1 . 2]" 1
164 1 47 ILE HB 1 47 ILE QG 2.500 . 2.800 2.202 2.178 2.288 . 0 0 "[ . 1 . 2]" 1
165 1 47 ILE QG 1 47 ILE MG 2.500 . 2.800 2.212 2.077 2.334 . 0 0 "[ . 1 . 2]" 1
166 1 48 ASN H 1 48 ASN QB 3.000 . 3.500 2.238 2.098 2.354 . 0 0 "[ . 1 . 2]" 1
167 1 48 ASN H 1 48 ASN QD 4.000 . 4.750 3.553 1.982 4.681 . 0 0 "[ . 1 . 2]" 1
168 1 48 ASN HA 1 48 ASN QD 4.000 . 4.750 3.741 3.235 4.096 . 0 0 "[ . 1 . 2]" 1
169 1 49 TYR H 1 49 TYR HA 3.000 . 3.500 2.804 2.786 2.827 . 0 0 "[ . 1 . 2]" 1
170 1 49 TYR H 1 49 TYR HB3 3.000 . 3.500 2.355 2.165 2.577 . 0 0 "[ . 1 . 2]" 1
171 1 49 TYR H 1 49 TYR HB2 3.000 . 3.500 2.606 2.330 2.757 . 0 0 "[ . 1 . 2]" 1
172 1 49 TYR H 1 49 TYR QD 4.000 . 4.750 4.156 4.105 4.174 . 0 0 "[ . 1 . 2]" 1
173 1 49 TYR HA 1 49 TYR HB3 3.000 . 3.500 3.016 2.996 3.027 . 0 0 "[ . 1 . 2]" 1
174 1 49 TYR HA 1 49 TYR HB2 2.500 . 2.800 2.400 2.332 2.511 . 0 0 "[ . 1 . 2]" 1
175 1 49 TYR HA 1 49 TYR QD 3.000 . 3.500 2.410 2.159 3.214 . 0 0 "[ . 1 . 2]" 1
176 1 49 TYR HA 1 49 TYR QE 4.000 . 4.750 4.619 4.482 4.801 0.051 18 0 "[ . 1 . 2]" 1
177 1 49 TYR HB3 1 49 TYR QD 3.000 . 3.500 2.380 2.260 2.712 . 0 0 "[ . 1 . 2]" 1
178 1 49 TYR HB2 1 49 TYR QD 3.000 . 3.500 2.674 2.242 2.764 . 0 0 "[ . 1 . 2]" 1
179 1 50 TYR H 1 50 TYR QB 3.000 . 3.500 2.303 2.102 2.453 . 0 0 "[ . 1 . 2]" 1
180 1 50 TYR H 1 50 TYR QD 3.000 . 3.500 3.067 2.355 3.343 . 0 0 "[ . 1 . 2]" 1
181 1 50 TYR H 1 50 TYR QE 4.000 . 4.750 4.709 4.440 4.883 0.133 12 0 "[ . 1 . 2]" 1
182 1 50 TYR HA 1 50 TYR QD 3.000 . 3.500 2.233 1.876 2.975 . 0 0 "[ . 1 . 2]" 1
183 1 50 TYR HA 1 50 TYR QE 4.000 . 4.750 4.283 4.138 4.452 . 0 0 "[ . 1 . 2]" 1
184 1 51 ARG H 1 51 ARG QB 3.000 . 3.500 2.427 2.172 2.837 . 0 0 "[ . 1 . 2]" 1
185 1 51 ARG H 1 51 ARG QG 4.000 . 4.750 3.101 1.873 3.988 . 0 0 "[ . 1 . 2]" 1
186 1 51 ARG H 1 51 ARG QD 5.000 . 6.000 4.283 3.133 4.918 . 0 0 "[ . 1 . 2]" 1
187 1 51 ARG HA 1 51 ARG QD 4.000 . 4.750 4.067 3.342 4.550 . 0 0 "[ . 1 . 2]" 1
188 1 52 GLN H 1 52 GLN HA 3.000 . 3.500 2.916 2.896 2.935 . 0 0 "[ . 1 . 2]" 1
189 1 52 GLN H 1 52 GLN QB 3.000 . 3.500 2.253 2.199 2.321 . 0 0 "[ . 1 . 2]" 1
190 1 52 GLN H 1 52 GLN QG 4.000 . 4.750 3.440 2.757 4.012 . 0 0 "[ . 1 . 2]" 1
191 1 52 GLN HA 1 52 GLN QG 3.000 . 3.500 2.372 2.154 2.611 . 0 0 "[ . 1 . 2]" 1
192 1 53 GLN H 1 53 GLN QG 4.000 . 4.750 2.929 1.835 4.090 . 0 0 "[ . 1 . 2]" 1
193 1 53 GLN HA 1 53 GLN QG 3.000 . 3.500 2.757 2.089 3.339 . 0 0 "[ . 1 . 2]" 1
194 1 53 GLN HA 1 53 GLN QE 5.000 . 6.000 4.259 2.535 5.518 . 0 0 "[ . 1 . 2]" 1
195 1 54 VAL H 1 54 VAL HB 3.000 . 3.500 3.148 2.698 3.250 . 0 0 "[ . 1 . 2]" 1
196 1 54 VAL H 1 54 VAL MG1 4.000 . 4.750 3.826 3.671 3.938 . 0 0 "[ . 1 . 2]" 1
197 1 54 VAL H 1 54 VAL MG2 3.000 . 3.500 2.004 1.773 2.248 0.027 5 0 "[ . 1 . 2]" 1
198 1 54 VAL HA 1 54 VAL HB 3.000 . 3.500 2.922 2.894 3.009 . 0 0 "[ . 1 . 2]" 1
199 1 54 VAL HA 1 54 VAL MG1 3.000 . 3.500 1.982 1.932 2.190 . 0 0 "[ . 1 . 2]" 1
200 1 54 VAL HA 1 54 VAL MG2 3.000 . 3.500 2.823 2.441 2.908 . 0 0 "[ . 1 . 2]" 1
201 1 55 THR H 1 55 THR HB 4.000 . 4.750 3.525 2.846 3.856 . 0 0 "[ . 1 . 2]" 1
202 1 55 THR H 1 55 THR MG 4.000 . 4.750 3.379 2.091 3.972 . 0 0 "[ . 1 . 2]" 1
203 1 55 THR HA 1 55 THR HB 3.000 . 3.500 2.673 2.328 3.016 . 0 0 "[ . 1 . 2]" 1
204 1 57 GLU H 1 57 GLU QB 3.000 . 3.500 2.245 2.084 2.730 . 0 0 "[ . 1 . 2]" 1
205 1 59 GLN H 1 59 GLN HA 3.000 . 3.500 2.817 2.773 2.845 . 0 0 "[ . 1 . 2]" 1
206 1 59 GLN H 1 59 GLN QB 3.000 . 3.500 2.221 2.034 2.700 . 0 0 "[ . 1 . 2]" 1
207 1 59 GLN H 1 59 GLN QG 3.000 . 3.500 3.035 1.913 3.510 0.010 7 0 "[ . 1 . 2]" 1
208 1 59 GLN HA 1 59 GLN QG 3.000 . 3.500 2.451 2.007 3.404 . 0 0 "[ . 1 . 2]" 1
209 1 60 GLU H 1 60 GLU HA 3.000 . 3.500 2.823 2.806 2.887 . 0 0 "[ . 1 . 2]" 1
210 1 60 GLU H 1 60 GLU QB 3.000 . 3.500 2.362 2.126 2.712 . 0 0 "[ . 1 . 2]" 1
211 1 60 GLU H 1 60 GLU QG 3.000 . 3.500 2.564 1.881 3.520 0.020 9 0 "[ . 1 . 2]" 1
212 1 61 ARG H 1 61 ARG QD 4.000 . 4.750 2.911 1.983 4.061 . 0 0 "[ . 1 . 2]" 1
213 1 61 ARG HA 1 61 ARG QD 3.000 . 3.500 3.355 2.275 3.639 0.139 1 0 "[ . 1 . 2]" 1
214 1 62 ASP H 1 62 ASP HA 3.000 . 3.500 2.764 2.754 2.780 . 0 0 "[ . 1 . 2]" 1
215 1 62 ASP H 1 62 ASP QB 3.000 . 3.500 2.175 2.077 2.288 . 0 0 "[ . 1 . 2]" 1
216 1 63 LYS H 1 63 LYS HA 3.000 . 3.500 2.808 2.785 2.838 . 0 0 "[ . 1 . 2]" 1
217 1 63 LYS H 1 63 LYS QB 3.000 . 3.500 2.165 2.037 2.239 . 0 0 "[ . 1 . 2]" 1
218 1 63 LYS H 1 63 LYS QG 4.000 . 4.750 3.735 3.093 3.979 . 0 0 "[ . 1 . 2]" 1
219 1 64 ALA H 1 64 ALA HA 3.000 . 3.500 2.811 2.782 2.865 . 0 0 "[ . 1 . 2]" 1
220 1 65 LEU H 1 65 LEU HA 3.000 . 3.500 2.835 2.798 2.849 . 0 0 "[ . 1 . 2]" 1
221 1 65 LEU H 1 65 LEU HB3 3.000 . 3.500 3.479 3.385 3.546 0.046 6 0 "[ . 1 . 2]" 1
222 1 65 LEU H 1 65 LEU HB2 2.500 . 2.800 2.191 2.094 2.410 . 0 0 "[ . 1 . 2]" 1
223 1 65 LEU H 1 65 LEU MD1 4.000 . 4.750 2.444 1.885 4.164 . 0 0 "[ . 1 . 2]" 1
224 1 65 LEU H 1 65 LEU MD2 4.000 . 4.750 3.581 2.130 3.987 . 0 0 "[ . 1 . 2]" 1
225 1 65 LEU HA 1 65 LEU HB3 2.500 . 2.800 2.652 2.478 2.756 . 0 0 "[ . 1 . 2]" 1
226 1 65 LEU HA 1 65 LEU HB2 3.000 . 3.500 2.973 2.928 3.013 . 0 0 "[ . 1 . 2]" 1
227 1 65 LEU HA 1 65 LEU MD1 3.000 . 3.500 2.284 1.966 3.404 . 0 0 "[ . 1 . 2]" 1
228 1 65 LEU HA 1 65 LEU MD2 4.000 . 4.750 3.609 1.840 3.848 . 0 0 "[ . 1 . 2]" 1
229 1 65 LEU HB2 1 65 LEU MD1 3.000 . 3.500 2.534 2.320 2.853 . 0 0 "[ . 1 . 2]" 1
230 1 65 LEU HB2 1 65 LEU MD2 3.000 . 3.500 2.308 2.075 3.090 . 0 0 "[ . 1 . 2]" 1
231 1 66 GLN H 1 66 GLN HA 3.000 . 3.500 2.853 2.834 2.865 . 0 0 "[ . 1 . 2]" 1
232 1 66 GLN H 1 66 GLN QB 3.000 . 3.500 2.389 2.173 2.624 . 0 0 "[ . 1 . 2]" 1
233 1 66 GLN H 1 66 GLN QG 3.000 . 3.500 2.483 2.150 2.901 . 0 0 "[ . 1 . 2]" 1
234 1 67 GLU H 1 67 GLU HA 2.500 . 2.800 2.811 2.798 2.831 0.031 15 0 "[ . 1 . 2]" 1
235 1 67 GLU H 1 67 GLU QB 3.000 . 3.500 2.157 2.042 2.334 . 0 0 "[ . 1 . 2]" 1
236 1 68 LEU H 1 68 LEU HA 3.000 . 3.500 2.833 2.811 2.858 . 0 0 "[ . 1 . 2]" 1
237 1 68 LEU H 1 68 LEU QB 3.000 . 3.500 2.112 2.048 2.244 . 0 0 "[ . 1 . 2]" 1
238 1 68 LEU H 1 68 LEU QD 3.000 . 3.500 3.131 2.343 3.553 0.053 1 0 "[ . 1 . 2]" 1
239 1 69 ARG H 1 69 ARG QB 3.000 . 3.500 2.232 2.038 2.596 . 0 0 "[ . 1 . 2]" 1
240 1 69 ARG H 1 69 ARG QD 5.000 . 6.000 4.354 3.634 4.685 . 0 0 "[ . 1 . 2]" 1
241 1 69 ARG HA 1 69 ARG QG 3.000 . 3.500 2.559 2.083 3.358 . 0 0 "[ . 1 . 2]" 1
242 1 69 ARG HA 1 69 ARG QD 4.000 . 4.750 3.591 2.557 4.491 . 0 0 "[ . 1 . 2]" 1
243 1 70 GLN H 1 70 GLN HA 3.000 . 3.500 2.851 2.827 2.871 . 0 0 "[ . 1 . 2]" 1
244 1 70 GLN H 1 70 GLN QB 3.000 . 3.500 2.215 2.045 2.417 . 0 0 "[ . 1 . 2]" 1
245 1 70 GLN H 1 70 GLN QG 3.000 . 3.500 2.946 2.376 3.527 0.027 7 0 "[ . 1 . 2]" 1
246 1 70 GLN HA 1 70 GLN QB 2.500 . 2.800 2.319 2.154 2.546 . 0 0 "[ . 1 . 2]" 1
247 1 70 GLN HA 1 70 GLN QG 3.000 . 3.500 2.829 2.006 3.464 . 0 0 "[ . 1 . 2]" 1
248 1 70 GLN HA 1 70 GLN QE 5.000 . 6.000 4.436 2.919 5.362 . 0 0 "[ . 1 . 2]" 1
249 1 71 GLU H 1 71 GLU HA 3.000 . 3.500 2.806 2.791 2.822 . 0 0 "[ . 1 . 2]" 1
250 1 71 GLU H 1 71 GLU QB 3.000 . 3.500 2.144 2.046 2.250 . 0 0 "[ . 1 . 2]" 1
251 1 72 LEU H 1 72 LEU HA 3.000 . 3.500 2.839 2.826 2.876 . 0 0 "[ . 1 . 2]" 1
252 1 72 LEU H 1 72 LEU HG 3.000 . 3.500 2.428 1.962 3.456 . 0 0 "[ . 1 . 2]" 1
253 1 72 LEU H 1 72 LEU MD1 5.000 . 6.000 3.482 2.775 4.207 . 0 0 "[ . 1 . 2]" 1
254 1 72 LEU H 1 72 LEU MD2 5.000 . 6.000 3.155 2.050 4.124 . 0 0 "[ . 1 . 2]" 1
255 1 72 LEU HA 1 72 LEU MD1 4.000 . 4.750 3.719 2.867 3.984 . 0 0 "[ . 1 . 2]" 1
256 1 72 LEU HA 1 72 LEU MD2 3.000 . 3.500 2.324 1.899 2.868 . 0 0 "[ . 1 . 2]" 1
257 1 73 ASN H 1 73 ASN HA 3.000 . 3.500 2.757 2.750 2.765 . 0 0 "[ . 1 . 2]" 1
258 1 73 ASN H 1 73 ASN QB 3.000 . 3.500 2.201 2.042 2.594 . 0 0 "[ . 1 . 2]" 1
259 1 73 ASN H 1 73 ASN QD 3.000 . 3.500 2.982 2.158 3.509 0.009 1 0 "[ . 1 . 2]" 1
260 1 74 THR H 1 74 THR HA 3.000 . 3.500 2.887 2.873 2.895 . 0 0 "[ . 1 . 2]" 1
261 1 74 THR H 1 74 THR HB 3.000 . 3.500 2.916 2.492 3.536 0.036 20 0 "[ . 1 . 2]" 1
262 1 74 THR H 1 74 THR MG 4.000 . 4.750 2.824 1.918 3.781 . 0 0 "[ . 1 . 2]" 1
263 1 74 THR HA 1 74 THR HB 3.000 . 3.500 2.679 2.414 3.024 . 0 0 "[ . 1 . 2]" 1
264 1 74 THR HA 1 74 THR MG 3.000 . 3.500 2.633 2.074 3.232 . 0 0 "[ . 1 . 2]" 1
265 1 75 LEU H 1 75 LEU HB2 4.000 . 4.750 2.087 2.063 2.122 . 0 0 "[ . 1 . 2]" 1
266 1 75 LEU H 1 75 LEU HG 4.000 . 4.750 3.292 3.134 3.463 . 0 0 "[ . 1 . 2]" 1
267 1 75 LEU H 1 75 LEU MD1 5.000 . 6.000 3.727 3.477 3.978 . 0 0 "[ . 1 . 2]" 1
268 1 75 LEU H 1 75 LEU MD2 5.000 . 6.000 4.145 4.025 4.317 . 0 0 "[ . 1 . 2]" 1
269 1 75 LEU HA 1 75 LEU MD2 3.000 . 3.500 2.240 1.934 2.568 . 0 0 "[ . 1 . 2]" 1
270 1 75 LEU HB3 1 75 LEU HG 3.000 . 3.500 3.010 2.986 3.019 . 0 0 "[ . 1 . 2]" 1
271 1 75 LEU HB3 1 75 LEU MD2 3.000 . 3.500 2.266 2.056 2.420 . 0 0 "[ . 1 . 2]" 1
272 1 75 LEU HB2 1 75 LEU HG 3.000 . 3.500 2.535 2.438 2.633 . 0 0 "[ . 1 . 2]" 1
273 1 75 LEU HB2 1 75 LEU MD2 3.000 . 3.500 3.174 3.130 3.189 . 0 0 "[ . 1 . 2]" 1
274 1 77 ASN H 1 77 ASN HA 3.000 . 3.500 2.761 2.739 2.790 . 0 0 "[ . 1 . 2]" 1
275 1 79 PHE H 1 79 PHE HA 3.000 . 3.500 2.815 2.786 2.840 . 0 0 "[ . 1 . 2]" 1
276 1 79 PHE H 1 79 PHE HB3 4.000 . 4.750 2.327 2.211 2.542 . 0 0 "[ . 1 . 2]" 1
277 1 79 PHE H 1 79 PHE HB2 3.000 . 3.500 2.646 2.425 2.789 . 0 0 "[ . 1 . 2]" 1
278 1 79 PHE HA 1 79 PHE QD 4.000 . 4.750 2.197 1.941 2.334 . 0 0 "[ . 1 . 2]" 1
279 1 79 PHE HA 1 79 PHE QE 5.000 . 6.000 4.533 4.307 4.666 . 0 0 "[ . 1 . 2]" 1
280 1 79 PHE HB2 1 79 PHE QD 3.000 . 3.500 2.747 2.680 2.758 . 0 0 "[ . 1 . 2]" 1
281 1 80 LEU H 1 80 LEU HA 3.000 . 3.500 2.779 2.763 2.796 . 0 0 "[ . 1 . 2]" 1
282 1 80 LEU H 1 80 LEU MD1 5.000 . 6.000 3.518 3.253 3.740 . 0 0 "[ . 1 . 2]" 1
283 1 80 LEU HA 1 80 LEU MD1 4.000 . 4.750 3.859 3.794 3.907 . 0 0 "[ . 1 . 2]" 1
284 1 80 LEU HA 1 80 LEU MD2 3.000 . 3.500 2.132 1.935 2.452 . 0 0 "[ . 1 . 2]" 1
285 1 81 ALA H 1 81 ALA HA 3.000 . 3.500 2.837 2.809 2.856 . 0 0 "[ . 1 . 2]" 1
286 1 82 LYS H 1 82 LYS HA 3.000 . 3.500 2.801 2.792 2.829 . 0 0 "[ . 1 . 2]" 1
287 1 82 LYS H 1 82 LYS QB 3.000 . 3.500 2.330 2.082 2.819 . 0 0 "[ . 1 . 2]" 1
288 1 83 TYR H 1 83 TYR HB3 4.000 . 4.750 3.044 2.953 3.102 . 0 0 "[ . 1 . 2]" 1
289 1 83 TYR H 1 83 TYR HB2 4.000 . 4.750 2.233 2.193 2.298 . 0 0 "[ . 1 . 2]" 1
290 1 83 TYR H 1 83 TYR QD 5.000 . 6.000 3.819 3.703 3.959 . 0 0 "[ . 1 . 2]" 1
291 1 83 TYR HA 1 83 TYR QD 4.000 . 4.750 2.255 1.943 2.441 . 0 0 "[ . 1 . 2]" 1
292 1 83 TYR HA 1 83 TYR QE 5.000 . 6.000 4.173 4.073 4.244 . 0 0 "[ . 1 . 2]" 1
293 1 84 ARG H 1 84 ARG QB 3.000 . 3.500 2.199 2.022 2.542 . 0 0 "[ . 1 . 2]" 1
294 1 84 ARG H 1 84 ARG QG 3.000 . 3.500 2.931 2.350 3.572 0.072 11 0 "[ . 1 . 2]" 1
295 1 84 ARG HA 1 84 ARG QG 3.000 . 3.500 2.823 2.093 3.425 . 0 0 "[ . 1 . 2]" 1
296 1 84 ARG HE 1 84 ARG QG 3.000 . 3.500 2.680 2.064 3.184 . 0 0 "[ . 1 . 2]" 1
297 1 85 ASP H 1 85 ASP HA 3.000 . 3.500 2.857 2.818 2.865 . 0 0 "[ . 1 . 2]" 1
298 1 85 ASP H 1 85 ASP QB 3.000 . 3.500 2.170 2.076 2.278 . 0 0 "[ . 1 . 2]" 1
299 1 86 PHE H 1 86 PHE HA 3.000 . 3.500 2.849 2.820 2.865 . 0 0 "[ . 1 . 2]" 1
300 1 86 PHE H 1 86 PHE HB3 4.000 . 4.750 2.566 2.394 2.691 . 0 0 "[ . 1 . 2]" 1
301 1 86 PHE H 1 86 PHE HB2 4.000 . 4.750 2.485 2.359 2.658 . 0 0 "[ . 1 . 2]" 1
302 1 86 PHE H 1 86 PHE QD 4.000 . 4.750 4.151 4.109 4.183 . 0 0 "[ . 1 . 2]" 1
303 1 86 PHE HA 1 86 PHE QD 4.000 . 4.750 2.108 1.887 2.478 . 0 0 "[ . 1 . 2]" 1
304 1 86 PHE HA 1 86 PHE QE 4.000 . 4.750 4.334 4.216 4.534 . 0 0 "[ . 1 . 2]" 1
305 1 86 PHE HB3 1 86 PHE QD 3.000 . 3.500 2.284 2.254 2.334 . 0 0 "[ . 1 . 2]" 1
306 1 86 PHE HB2 1 86 PHE QD 3.000 . 3.500 2.702 2.572 2.759 . 0 0 "[ . 1 . 2]" 1
307 1 87 LEU H 1 87 LEU HG 4.000 . 4.750 4.078 2.922 4.414 . 0 0 "[ . 1 . 2]" 1
308 1 87 LEU H 1 87 LEU QD 4.000 . 4.750 2.554 2.297 3.192 . 0 0 "[ . 1 . 2]" 1
309 1 87 LEU HA 1 87 LEU HG 4.000 . 4.750 3.356 2.595 3.669 . 0 0 "[ . 1 . 2]" 1
310 1 87 LEU HA 1 87 LEU QD 4.000 . 4.750 1.984 1.847 2.210 . 0 0 "[ . 1 . 2]" 1
311 1 88 LYS H 1 88 LYS HA 3.000 . 3.500 2.836 2.796 2.860 . 0 0 "[ . 1 . 2]" 1
312 1 88 LYS H 1 88 LYS QB 3.000 . 3.500 2.294 2.075 2.677 . 0 0 "[ . 1 . 2]" 1
313 1 88 LYS H 1 88 LYS QG 4.000 . 4.750 2.971 1.886 4.054 . 0 0 "[ . 1 . 2]" 1
314 1 88 LYS HA 1 88 LYS QB 2.500 . 2.800 2.392 2.173 2.529 . 0 0 "[ . 1 . 2]" 1
315 1 89 SER H 1 89 SER HA 3.000 . 3.500 2.862 2.763 2.951 . 0 0 "[ . 1 . 2]" 1
316 1 90 HIS H 1 90 HIS HA 3.000 . 3.500 2.836 2.733 2.915 . 0 0 "[ . 1 . 2]" 1
317 1 90 HIS HA 1 90 HIS HD2 4.000 . 4.750 3.578 2.058 4.763 0.013 12 0 "[ . 1 . 2]" 1
318 1 91 GLU H 1 91 GLU QB 3.000 . 3.500 2.422 2.038 2.975 . 0 0 "[ . 1 . 2]" 1
319 1 92 LEU H 1 92 LEU HG 3.000 . 3.500 2.789 2.039 3.487 . 0 0 "[ . 1 . 2]" 1
320 1 92 LEU H 1 92 LEU QB 3.000 . 3.500 2.867 2.108 3.496 . 0 0 "[ . 1 . 2]" 1
321 1 1 LEU HA 1 2 LEU H 3.000 . 3.500 2.777 2.149 3.551 0.051 18 0 "[ . 1 . 2]" 1
322 1 1 LEU QB 1 2 LEU H 4.000 . 4.750 3.068 1.970 4.046 . 0 0 "[ . 1 . 2]" 1
323 1 1 LEU QD 1 2 LEU H 5.000 . 6.000 3.584 1.890 4.494 . 0 0 "[ . 1 . 2]" 1
324 1 2 LEU H 1 3 LYS H 5.000 . 6.000 3.309 1.964 4.647 . 0 0 "[ . 1 . 2]" 1
325 1 2 LEU HA 1 3 LYS H 3.000 . 3.500 2.839 2.139 3.546 0.046 6 0 "[ . 1 . 2]" 1
326 1 2 LEU QB 1 3 LYS H 4.000 . 4.750 3.254 1.863 4.045 . 0 0 "[ . 1 . 2]" 1
327 1 3 LYS H 1 4 ALA H 3.000 . 3.500 2.633 2.424 2.834 . 0 0 "[ . 1 . 2]" 1
328 1 3 LYS HA 1 4 ALA H 3.000 . 3.500 3.460 3.385 3.531 0.031 5 0 "[ . 1 . 2]" 1
329 1 3 LYS QB 1 4 ALA H 3.000 . 3.500 2.973 2.506 3.589 0.089 8 0 "[ . 1 . 2]" 1
330 1 3 LYS QG 1 4 ALA H 4.000 . 4.750 3.814 1.970 4.529 . 0 0 "[ . 1 . 2]" 1
331 1 4 ALA H 1 5 ASN H 3.000 . 3.500 2.754 2.631 2.856 . 0 0 "[ . 1 . 2]" 1
332 1 4 ALA HA 1 5 ASN H 4.000 . 4.750 3.547 3.530 3.561 . 0 0 "[ . 1 . 2]" 1
333 1 4 ALA MB 1 5 ASN H 4.000 . 4.750 2.534 2.430 2.628 . 0 0 "[ . 1 . 2]" 1
334 1 5 ASN H 1 6 LYS H 3.000 . 3.500 2.741 2.636 2.797 . 0 0 "[ . 1 . 2]" 1
335 1 5 ASN QB 1 6 LYS H 3.000 . 3.500 2.477 2.184 3.125 . 0 0 "[ . 1 . 2]" 1
336 1 6 LYS H 1 7 ASP H 3.000 . 3.500 2.667 2.605 2.751 . 0 0 "[ . 1 . 2]" 1
337 1 6 LYS HA 1 7 ASP H 3.000 . 3.500 3.501 3.483 3.523 0.023 2 0 "[ . 1 . 2]" 1
338 1 6 LYS QB 1 7 ASP H 4.000 . 4.750 2.908 2.706 3.631 . 0 0 "[ . 1 . 2]" 1
339 1 7 ASP H 1 8 LEU H 4.000 . 4.750 2.613 2.526 2.670 . 0 0 "[ . 1 . 2]" 1
340 1 7 ASP HA 1 8 LEU H 4.000 . 4.750 3.547 3.527 3.588 . 0 0 "[ . 1 . 2]" 1
341 1 7 ASP QB 1 8 LEU H 4.000 . 4.750 2.678 2.476 3.339 . 0 0 "[ . 1 . 2]" 1
342 1 8 LEU H 1 9 ILE H 3.000 . 3.500 2.691 2.607 2.780 . 0 0 "[ . 1 . 2]" 1
343 1 8 LEU MD1 1 9 ILE H 5.000 . 6.000 4.445 3.475 4.871 . 0 0 "[ . 1 . 2]" 1
344 1 8 LEU MD1 1 9 ILE HA 5.000 . 6.000 4.838 3.469 5.655 . 0 0 "[ . 1 . 2]" 1
345 1 8 LEU QB 1 9 ILE H 3.000 . 3.500 2.483 2.366 2.658 . 0 0 "[ . 1 . 2]" 1
346 1 9 ILE H 1 10 SER H 3.000 . 3.500 2.812 2.780 2.828 . 0 0 "[ . 1 . 2]" 1
347 1 9 ILE HA 1 10 SER H 4.000 . 4.750 3.594 3.564 3.612 . 0 0 "[ . 1 . 2]" 1
348 1 9 ILE HB 1 10 SER H 3.000 . 3.500 2.611 2.272 3.603 0.103 16 0 "[ . 1 . 2]" 1
349 1 9 ILE MG 1 10 SER H 4.000 . 4.750 2.976 1.810 3.398 . 0 0 "[ . 1 . 2]" 1
350 1 10 SER H 1 11 ALA H 3.000 . 3.500 2.755 2.629 2.852 . 0 0 "[ . 1 . 2]" 1
351 1 10 SER HA 1 11 ALA H 3.000 . 3.500 3.503 3.482 3.543 0.043 18 0 "[ . 1 . 2]" 1
352 1 10 SER QB 1 11 ALA H 3.000 . 3.500 2.877 2.555 3.496 . 0 0 "[ . 1 . 2]" 1
353 1 11 ALA H 1 12 GLY H 3.000 . 3.500 2.661 2.560 2.761 . 0 0 "[ . 1 . 2]" 1
354 1 11 ALA HA 1 12 GLY H 3.000 . 3.500 3.530 3.524 3.543 0.043 12 0 "[ . 1 . 2]" 1
355 1 11 ALA MB 1 12 GLY H 3.000 . 3.500 2.598 2.434 2.699 . 0 0 "[ . 1 . 2]" 1
356 1 12 GLY QA 1 13 LEU H 3.000 . 3.500 2.659 2.573 2.748 . 0 0 "[ . 1 . 2]" 1
357 1 13 LEU H 1 14 LYS H 3.000 . 3.500 2.879 2.714 2.988 . 0 0 "[ . 1 . 2]" 1
358 1 13 LEU HA 1 14 LYS H 3.000 . 3.500 3.559 3.547 3.569 0.069 14 0 "[ . 1 . 2]" 1
359 1 13 LEU HB3 1 14 LYS H 3.000 . 3.500 2.622 2.579 2.670 . 0 0 "[ . 1 . 2]" 1
360 1 13 LEU HB2 1 14 LYS H 4.000 . 4.750 2.694 2.616 2.726 . 0 0 "[ . 1 . 2]" 1
361 1 14 LYS H 1 15 GLU H 3.000 . 3.500 2.644 2.576 2.712 . 0 0 "[ . 1 . 2]" 1
362 1 14 LYS HA 1 15 GLU H 3.000 . 3.500 3.483 3.464 3.510 0.010 11 0 "[ . 1 . 2]" 1
363 1 14 LYS QB 1 15 GLU H 3.000 . 3.500 2.990 2.605 3.531 0.031 2 0 "[ . 1 . 2]" 1
364 1 14 LYS QG 1 15 GLU H 3.000 . 3.500 3.059 2.083 3.570 0.070 14 0 "[ . 1 . 2]" 1
365 1 14 LYS QD 1 15 GLU H 4.000 . 4.750 4.371 3.481 4.783 0.033 3 0 "[ . 1 . 2]" 1
366 1 15 GLU H 1 16 PHE H 3.000 . 3.500 2.701 2.602 2.803 . 0 0 "[ . 1 . 2]" 1
367 1 15 GLU HA 1 16 PHE H 3.000 . 3.500 3.548 3.534 3.571 0.071 11 0 "[ . 1 . 2]" 1
368 1 15 GLU QB 1 16 PHE H 3.000 . 3.500 2.554 2.376 3.375 . 0 0 "[ . 1 . 2]" 1
369 1 16 PHE H 1 17 SER H 3.000 . 3.500 2.655 2.588 2.750 . 0 0 "[ . 1 . 2]" 1
370 1 16 PHE HB3 1 17 SER H 4.000 . 4.750 2.541 2.407 2.719 . 0 0 "[ . 1 . 2]" 1
371 1 16 PHE HB2 1 17 SER H 3.000 . 3.500 3.476 3.293 3.568 0.068 11 0 "[ . 1 . 2]" 1
372 1 16 PHE QD 1 17 SER H 4.000 . 4.750 4.403 4.256 4.525 . 0 0 "[ . 1 . 2]" 1
373 1 17 SER H 1 18 VAL H 4.000 . 4.750 2.819 2.759 2.873 . 0 0 "[ . 1 . 2]" 1
374 1 17 SER HA 1 18 VAL H 5.000 . 6.000 3.556 3.541 3.563 . 0 0 "[ . 1 . 2]" 1
375 1 17 SER QB 1 18 VAL H 3.000 . 3.500 2.795 2.331 3.358 . 0 0 "[ . 1 . 2]" 1
376 1 18 VAL H 1 19 LEU H 3.000 . 3.500 2.594 2.459 2.708 . 0 0 "[ . 1 . 2]" 1
377 1 18 VAL HA 1 19 LEU H 4.000 . 4.750 3.513 3.486 3.544 . 0 0 "[ . 1 . 2]" 1
378 1 18 VAL HB 1 19 LEU H 3.000 . 3.500 2.818 2.630 2.988 . 0 0 "[ . 1 . 2]" 1
379 1 18 VAL MG1 1 19 LEU H 4.000 . 4.750 3.647 3.482 3.720 . 0 0 "[ . 1 . 2]" 1
380 1 18 VAL MG2 1 19 LEU H 4.000 . 4.750 3.884 3.765 4.020 . 0 0 "[ . 1 . 2]" 1
381 1 19 LEU H 1 20 LEU H 4.000 . 4.750 2.674 2.586 2.775 . 0 0 "[ . 1 . 2]" 1
382 1 19 LEU HG 1 20 LEU MD2 5.000 . 6.000 3.579 2.514 4.754 . 0 0 "[ . 1 . 2]" 1
383 1 19 LEU MD1 1 20 LEU MD1 5.000 . 6.000 5.988 5.824 6.027 0.027 7 0 "[ . 1 . 2]" 1
384 1 19 LEU MD1 1 20 LEU MD2 5.000 . 6.000 4.528 3.776 5.311 . 0 0 "[ . 1 . 2]" 1
385 1 19 LEU MD2 1 20 LEU H 5.000 . 6.000 3.582 3.031 4.029 . 0 0 "[ . 1 . 2]" 1
386 1 19 LEU MD2 1 20 LEU MD1 5.000 . 6.000 4.221 3.953 4.698 . 0 0 "[ . 1 . 2]" 1
387 1 19 LEU MD2 1 20 LEU MD2 5.000 . 6.000 2.554 1.815 3.262 . 0 0 "[ . 1 . 2]" 1
388 1 20 LEU H 1 21 ASN H 3.000 . 3.500 2.617 2.486 2.730 . 0 0 "[ . 1 . 2]" 1
389 1 20 LEU HA 1 21 ASN H 5.000 . 6.000 3.519 3.486 3.544 . 0 0 "[ . 1 . 2]" 1
390 1 20 LEU MD1 1 21 ASN H 5.000 . 6.000 4.340 3.643 5.016 . 0 0 "[ . 1 . 2]" 1
391 1 20 LEU MD2 1 21 ASN H 5.000 . 6.000 4.622 4.142 4.861 . 0 0 "[ . 1 . 2]" 1
392 1 20 LEU QB 1 21 ASN H 3.000 . 3.500 2.649 2.504 2.808 . 0 0 "[ . 1 . 2]" 1
393 1 21 ASN H 1 22 GLN H 4.000 . 4.750 2.416 2.358 2.505 . 0 0 "[ . 1 . 2]" 1
394 1 21 ASN HA 1 22 GLN H 3.000 . 3.500 3.461 3.428 3.525 0.025 11 0 "[ . 1 . 2]" 1
395 1 21 ASN QB 1 22 GLN H 3.000 . 3.500 3.153 2.703 3.534 0.034 3 0 "[ . 1 . 2]" 1
396 1 22 GLN H 1 23 GLN H 3.000 . 3.500 2.431 2.102 2.607 . 0 0 "[ . 1 . 2]" 1
397 1 22 GLN HA 1 23 GLN H 4.000 . 4.750 3.117 3.023 3.496 . 0 0 "[ . 1 . 2]" 1
398 1 23 GLN H 1 24 VAL H 5.000 . 6.000 3.872 3.090 4.784 . 0 0 "[ . 1 . 2]" 1
399 1 23 GLN HA 1 24 VAL H 3.000 . 3.500 2.861 2.503 3.547 0.047 19 0 "[ . 1 . 2]" 1
400 1 23 GLN HA 1 24 VAL MG2 5.000 . 6.000 3.814 3.196 5.516 . 0 0 "[ . 1 . 2]" 1
401 1 24 VAL HA 1 25 PHE H 3.000 . 3.500 2.154 2.116 2.211 . 0 0 "[ . 1 . 2]" 1
402 1 24 VAL HA 1 25 PHE QD 4.000 . 4.750 3.253 2.688 4.765 0.015 14 0 "[ . 1 . 2]" 1
403 1 24 VAL MG1 1 25 PHE H 5.000 . 6.000 2.896 2.259 4.160 . 0 0 "[ . 1 . 2]" 1
404 1 24 VAL MG1 1 25 PHE HA 5.000 . 6.000 4.059 3.746 5.521 . 0 0 "[ . 1 . 2]" 1
405 1 24 VAL MG1 1 25 PHE QD 5.000 . 6.000 4.335 3.689 5.015 . 0 0 "[ . 1 . 2]" 1
406 1 24 VAL MG1 1 25 PHE QE 5.000 . 6.000 5.625 4.530 6.003 0.003 12 0 "[ . 1 . 2]" 1
407 1 24 VAL MG2 1 25 PHE H 5.000 . 6.000 3.873 2.204 4.296 . 0 0 "[ . 1 . 2]" 1
408 1 24 VAL MG2 1 25 PHE HA 5.000 . 6.000 5.172 3.834 5.678 . 0 0 "[ . 1 . 2]" 1
409 1 24 VAL MG2 1 25 PHE QD 5.000 . 6.000 4.850 3.832 5.488 . 0 0 "[ . 1 . 2]" 1
410 1 24 VAL MG2 1 25 PHE QE 5.000 . 6.000 5.610 5.198 6.014 0.014 11 0 "[ . 1 . 2]" 1
411 1 25 PHE HA 1 26 ASN H 3.000 . 3.500 2.127 2.028 2.212 . 0 0 "[ . 1 . 2]" 1
412 1 25 PHE QD 1 26 ASN H 5.000 . 6.000 4.601 3.684 4.868 . 0 0 "[ . 1 . 2]" 1
413 1 26 ASN QB 1 27 ASP H 4.000 . 4.750 2.943 2.364 3.468 . 0 0 "[ . 1 . 2]" 1
414 1 27 ASP HA 1 28 PRO QB 5.000 . 6.000 3.960 3.800 4.083 . 0 0 "[ . 1 . 2]" 1
415 1 27 ASP QB 1 28 PRO HA 4.000 . 4.750 2.635 1.963 3.487 . 0 0 "[ . 1 . 2]" 1
416 1 28 PRO HA 1 29 LEU H 4.000 . 4.750 2.317 2.135 3.176 . 0 0 "[ . 1 . 2]" 1
417 1 28 PRO HA 1 29 LEU MD1 5.000 . 6.000 4.165 2.789 5.698 . 0 0 "[ . 1 . 2]" 1
418 1 28 PRO HA 1 29 LEU MD2 5.000 . 6.000 5.036 2.400 5.460 . 0 0 "[ . 1 . 2]" 1
419 1 29 LEU H 1 30 VAL H 5.000 . 6.000 4.482 4.066 4.609 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU HA 1 30 VAL H 3.000 . 3.500 2.241 2.124 2.896 . 0 0 "[ . 1 . 2]" 1
421 1 29 LEU MD1 1 30 VAL H 5.000 . 6.000 4.808 2.835 5.283 . 0 0 "[ . 1 . 2]" 1
422 1 29 LEU QB 1 30 VAL H 5.000 . 6.000 2.853 1.940 3.353 . 0 0 "[ . 1 . 2]" 1
423 1 30 VAL H 1 31 SER H 5.000 . 6.000 4.621 4.598 4.639 . 0 0 "[ . 1 . 2]" 1
424 1 30 VAL HA 1 31 SER H 4.000 . 4.750 2.294 2.208 2.365 . 0 0 "[ . 1 . 2]" 1
425 1 30 VAL HB 1 31 SER H 4.000 . 4.750 4.018 3.897 4.204 . 0 0 "[ . 1 . 2]" 1
426 1 30 VAL MG1 1 31 SER H 5.000 . 6.000 3.670 3.362 3.853 . 0 0 "[ . 1 . 2]" 1
427 1 30 VAL MG2 1 31 SER H 5.000 . 6.000 2.067 1.882 2.393 . 0 0 "[ . 1 . 2]" 1
428 1 31 SER H 1 32 GLU H 5.000 . 6.000 4.562 4.550 4.577 . 0 0 "[ . 1 . 2]" 1
429 1 31 SER HA 1 32 GLU H 4.000 . 4.750 2.475 2.438 2.524 . 0 0 "[ . 1 . 2]" 1
430 1 31 SER QB 1 32 GLU H 4.000 . 4.750 2.410 2.100 2.997 . 0 0 "[ . 1 . 2]" 1
431 1 32 GLU H 1 33 GLU H 4.000 . 4.750 2.661 2.556 2.791 . 0 0 "[ . 1 . 2]" 1
432 1 32 GLU HA 1 33 GLU H 3.000 . 3.500 3.530 3.493 3.556 0.056 14 0 "[ . 1 . 2]" 1
433 1 32 GLU QB 1 33 GLU H 3.000 . 3.500 2.916 2.478 3.438 . 0 0 "[ . 1 . 2]" 1
434 1 33 GLU H 1 34 ASP H 4.000 . 4.750 2.564 2.513 2.615 . 0 0 "[ . 1 . 2]" 1
435 1 33 GLU HA 1 34 ASP H 4.000 . 4.750 3.495 3.465 3.505 . 0 0 "[ . 1 . 2]" 1
436 1 34 ASP H 1 35 MET H 3.000 . 3.500 2.453 2.376 2.533 . 0 0 "[ . 1 . 2]" 1
437 1 34 ASP QB 1 35 MET H 4.000 . 4.750 2.710 2.524 2.814 . 0 0 "[ . 1 . 2]" 1
438 1 35 MET H 1 36 VAL H 3.000 . 3.500 2.587 2.530 2.648 . 0 0 "[ . 1 . 2]" 1
439 1 35 MET H 1 36 VAL MG1 5.000 . 6.000 5.830 5.797 5.887 . 0 0 "[ . 1 . 2]" 1
440 1 35 MET H 1 36 VAL MG2 5.000 . 6.000 4.052 3.922 4.166 . 0 0 "[ . 1 . 2]" 1
441 1 36 VAL H 1 37 THR H 4.000 . 4.750 2.786 2.723 2.882 . 0 0 "[ . 1 . 2]" 1
442 1 36 VAL HA 1 37 THR H 5.000 . 6.000 3.566 3.545 3.595 . 0 0 "[ . 1 . 2]" 1
443 1 36 VAL HA 1 37 THR MG 5.000 . 6.000 5.801 5.522 6.086 0.086 7 0 "[ . 1 . 2]" 1
444 1 36 VAL HB 1 37 THR H 4.000 . 4.750 2.497 2.458 2.568 . 0 0 "[ . 1 . 2]" 1
445 1 36 VAL HB 1 37 THR MG 5.000 . 6.000 4.816 4.163 5.554 . 0 0 "[ . 1 . 2]" 1
446 1 36 VAL MG1 1 37 THR H 5.000 . 6.000 3.418 3.282 3.536 . 0 0 "[ . 1 . 2]" 1
447 1 36 VAL MG1 1 37 THR MG 5.000 . 6.000 4.655 3.876 5.302 . 0 0 "[ . 1 . 2]" 1
448 1 36 VAL MG2 1 37 THR H 5.000 . 6.000 3.784 3.694 3.858 . 0 0 "[ . 1 . 2]" 1
449 1 36 VAL MG2 1 37 THR HA 5.000 . 6.000 5.378 5.357 5.401 . 0 0 "[ . 1 . 2]" 1
450 1 37 THR H 1 38 VAL H 4.000 . 4.750 2.730 2.685 2.759 . 0 0 "[ . 1 . 2]" 1
451 1 37 THR H 1 38 VAL MG2 5.000 . 6.000 4.078 3.996 4.151 . 0 0 "[ . 1 . 2]" 1
452 1 37 THR HB 1 38 VAL H 4.000 . 4.750 2.948 2.547 3.477 . 0 0 "[ . 1 . 2]" 1
453 1 37 THR MG 1 38 VAL H 5.000 . 6.000 3.253 1.938 4.142 . 0 0 "[ . 1 . 2]" 1
454 1 37 THR MG 1 38 VAL HA 5.000 . 6.000 3.983 2.886 5.132 . 0 0 "[ . 1 . 2]" 1
455 1 37 THR MG 1 38 VAL MG2 5.000 . 6.000 3.461 1.946 4.577 . 0 0 "[ . 1 . 2]" 1
456 1 38 VAL H 1 39 VAL H 3.000 . 3.500 2.764 2.715 2.867 . 0 0 "[ . 1 . 2]" 1
457 1 38 VAL H 1 39 VAL MG2 5.000 . 6.000 4.115 3.956 4.255 . 0 0 "[ . 1 . 2]" 1
458 1 38 VAL HA 1 39 VAL H 4.000 . 4.750 3.551 3.537 3.571 . 0 0 "[ . 1 . 2]" 1
459 1 38 VAL HB 1 39 VAL H 4.000 . 4.750 2.514 2.340 2.718 . 0 0 "[ . 1 . 2]" 1
460 1 38 VAL HB 1 39 VAL MG1 5.000 . 6.000 5.309 5.227 5.421 . 0 0 "[ . 1 . 2]" 1
461 1 38 VAL MG1 1 39 VAL H 5.000 . 6.000 3.522 3.383 3.639 . 0 0 "[ . 1 . 2]" 1
462 1 38 VAL MG1 1 39 VAL HA 5.000 . 6.000 3.627 3.506 3.735 . 0 0 "[ . 1 . 2]" 1
463 1 38 VAL MG1 1 39 VAL HB 5.000 . 6.000 5.418 5.309 5.592 . 0 0 "[ . 1 . 2]" 1
464 1 38 VAL MG1 1 39 VAL MG2 5.000 . 6.000 3.559 3.310 3.764 . 0 0 "[ . 1 . 2]" 1
465 1 38 VAL MG2 1 39 VAL H 5.000 . 6.000 3.728 3.640 3.839 . 0 0 "[ . 1 . 2]" 1
466 1 39 VAL H 1 40 GLU H 3.000 . 3.500 2.688 2.588 2.774 . 0 0 "[ . 1 . 2]" 1
467 1 39 VAL MG1 1 40 GLU H 5.000 . 6.000 3.519 3.416 3.651 . 0 0 "[ . 1 . 2]" 1
468 1 39 VAL MG1 1 40 GLU HA 5.000 . 6.000 3.685 3.539 3.937 . 0 0 "[ . 1 . 2]" 1
469 1 39 VAL MG2 1 40 GLU H 5.000 . 6.000 3.679 3.542 3.736 . 0 0 "[ . 1 . 2]" 1
470 1 40 GLU H 1 41 ASP H 4.000 . 4.750 2.791 2.757 2.825 . 0 0 "[ . 1 . 2]" 1
471 1 41 ASP H 1 42 TRP H 3.000 . 3.500 2.641 2.489 2.813 . 0 0 "[ . 1 . 2]" 1
472 1 41 ASP HA 1 42 TRP H 5.000 . 6.000 3.530 3.494 3.559 . 0 0 "[ . 1 . 2]" 1
473 1 41 ASP QB 1 42 TRP H 4.000 . 4.750 2.727 2.493 3.482 . 0 0 "[ . 1 . 2]" 1
474 1 42 TRP H 1 43 MET H 4.000 . 4.750 2.676 2.646 2.713 . 0 0 "[ . 1 . 2]" 1
475 1 42 TRP HB3 1 43 MET H 5.000 . 6.000 3.271 3.020 3.480 . 0 0 "[ . 1 . 2]" 1
476 1 43 MET H 1 44 ASN H 4.000 . 4.750 2.744 2.582 2.876 . 0 0 "[ . 1 . 2]" 1
477 1 44 ASN H 1 45 PHE H 4.000 . 4.750 2.472 2.393 2.612 . 0 0 "[ . 1 . 2]" 1
478 1 45 PHE H 1 46 TYR H 3.000 . 3.500 2.670 2.609 2.741 . 0 0 "[ . 1 . 2]" 1
479 1 45 PHE QB 1 46 TYR H 4.000 . 4.750 2.957 2.742 3.036 . 0 0 "[ . 1 . 2]" 1
480 1 45 PHE QD 1 46 TYR H 4.000 . 4.750 2.968 2.663 3.309 . 0 0 "[ . 1 . 2]" 1
481 1 45 PHE QD 1 46 TYR HA 4.000 . 4.750 3.852 3.709 3.970 . 0 0 "[ . 1 . 2]" 1
482 1 45 PHE QD 1 46 TYR QD 4.000 . 4.750 3.547 3.315 3.704 . 0 0 "[ . 1 . 2]" 1
483 1 46 TYR H 1 47 ILE H 4.000 . 4.750 2.652 2.518 2.818 . 0 0 "[ . 1 . 2]" 1
484 1 46 TYR HA 1 47 ILE H 4.000 . 4.750 3.547 3.524 3.575 . 0 0 "[ . 1 . 2]" 1
485 1 46 TYR QB 1 47 ILE H 4.000 . 4.750 2.575 2.450 2.680 . 0 0 "[ . 1 . 2]" 1
486 1 47 ILE H 1 48 ASN H 4.000 . 4.750 2.930 2.854 2.977 . 0 0 "[ . 1 . 2]" 1
487 1 47 ILE HA 1 48 ASN H 4.000 . 4.750 3.578 3.569 3.585 . 0 0 "[ . 1 . 2]" 1
488 1 47 ILE HB 1 48 ASN H 3.000 . 3.500 2.658 2.415 3.195 . 0 0 "[ . 1 . 2]" 1
489 1 47 ILE MG 1 48 ASN H 4.000 . 4.750 2.488 1.879 2.952 . 0 0 "[ . 1 . 2]" 1
490 1 47 ILE MG 1 48 ASN HA 4.000 . 4.750 3.019 2.848 3.284 . 0 0 "[ . 1 . 2]" 1
491 1 47 ILE MG 1 48 ASN QB 4.000 . 4.750 3.462 2.784 4.051 . 0 0 "[ . 1 . 2]" 1
492 1 47 ILE QG 1 48 ASN H 4.000 . 4.750 4.262 4.076 4.412 . 0 0 "[ . 1 . 2]" 1
493 1 48 ASN HA 1 49 TYR H 4.000 . 4.750 3.509 3.479 3.536 . 0 0 "[ . 1 . 2]" 1
494 1 48 ASN QB 1 49 TYR H 3.000 . 3.500 2.657 2.538 2.746 . 0 0 "[ . 1 . 2]" 1
495 1 49 TYR H 1 50 TYR H 3.000 . 3.500 2.714 2.621 2.816 . 0 0 "[ . 1 . 2]" 1
496 1 49 TYR HA 1 50 TYR H 3.000 . 3.500 3.532 3.507 3.549 0.049 9 0 "[ . 1 . 2]" 1
497 1 49 TYR HB3 1 50 TYR H 4.000 . 4.750 2.563 2.347 2.838 . 0 0 "[ . 1 . 2]" 1
498 1 49 TYR HB2 1 50 TYR H 4.000 . 4.750 3.901 3.664 4.098 . 0 0 "[ . 1 . 2]" 1
499 1 49 TYR QD 1 50 TYR H 4.000 . 4.750 3.828 3.308 4.006 . 0 0 "[ . 1 . 2]" 1
500 1 49 TYR QD 1 50 TYR HA 4.000 . 4.750 4.018 2.760 4.422 . 0 0 "[ . 1 . 2]" 1
501 1 49 TYR QD 1 50 TYR QB 5.000 . 6.000 4.883 4.171 5.113 . 0 0 "[ . 1 . 2]" 1
502 1 49 TYR QD 1 50 TYR QD 4.000 . 4.750 3.813 2.662 4.413 . 0 0 "[ . 1 . 2]" 1
503 1 49 TYR QE 1 50 TYR H 5.000 . 6.000 5.554 5.320 5.660 . 0 0 "[ . 1 . 2]" 1
504 1 49 TYR QE 1 50 TYR HA 5.000 . 6.000 4.902 4.424 5.247 . 0 0 "[ . 1 . 2]" 1
505 1 49 TYR QE 1 50 TYR QB 5.000 . 6.000 5.998 5.636 6.098 0.098 10 0 "[ . 1 . 2]" 1
506 1 49 TYR QE 1 50 TYR QD 4.000 . 4.750 4.479 3.915 4.835 0.085 17 0 "[ . 1 . 2]" 1
507 1 50 TYR HA 1 51 ARG H 4.000 . 4.750 3.528 3.489 3.568 . 0 0 "[ . 1 . 2]" 1
508 1 50 TYR QB 1 51 ARG H 3.000 . 3.500 2.835 2.668 2.929 . 0 0 "[ . 1 . 2]" 1
509 1 51 ARG H 1 52 GLN H 4.000 . 4.750 2.644 2.581 2.728 . 0 0 "[ . 1 . 2]" 1
510 1 51 ARG HA 1 52 GLN H 4.000 . 4.750 3.473 3.441 3.502 . 0 0 "[ . 1 . 2]" 1
511 1 51 ARG QB 1 52 GLN H 3.000 . 3.500 2.985 2.760 3.582 0.082 7 0 "[ . 1 . 2]" 1
512 1 51 ARG QG 1 52 GLN H 4.000 . 4.750 3.616 2.112 4.332 . 0 0 "[ . 1 . 2]" 1
513 1 52 GLN H 1 53 GLN H 3.000 . 3.500 2.296 2.123 2.375 . 0 0 "[ . 1 . 2]" 1
514 1 52 GLN HA 1 53 GLN H 4.000 . 4.750 3.427 3.360 3.510 . 0 0 "[ . 1 . 2]" 1
515 1 52 GLN QB 1 53 GLN H 3.000 . 3.500 3.170 2.964 3.277 . 0 0 "[ . 1 . 2]" 1
516 1 52 GLN QB 1 53 GLN QE 5.000 . 6.000 5.035 2.884 6.084 0.084 2 0 "[ . 1 . 2]" 1
517 1 53 GLN H 1 54 VAL H 3.000 . 3.500 2.880 2.222 3.274 . 0 0 "[ . 1 . 2]" 1
518 1 53 GLN HA 1 54 VAL H 4.000 . 4.750 2.955 2.709 3.422 . 0 0 "[ . 1 . 2]" 1
519 1 53 GLN QB 1 54 VAL H 4.000 . 4.750 3.750 3.063 4.098 . 0 0 "[ . 1 . 2]" 1
520 1 53 GLN QG 1 54 VAL H 4.000 . 4.750 4.412 3.808 4.799 0.049 18 0 "[ . 1 . 2]" 1
521 1 54 VAL H 1 55 THR H 4.000 . 4.750 4.524 4.374 4.642 . 0 0 "[ . 1 . 2]" 1
522 1 54 VAL HA 1 55 THR H 3.000 . 3.500 2.436 2.323 2.599 . 0 0 "[ . 1 . 2]" 1
523 1 54 VAL HA 1 55 THR HA 4.000 . 4.750 4.481 4.414 4.553 . 0 0 "[ . 1 . 2]" 1
524 1 54 VAL HA 1 55 THR MG 5.000 . 6.000 4.154 3.286 5.342 . 0 0 "[ . 1 . 2]" 1
525 1 54 VAL HB 1 55 THR H 3.000 . 3.500 2.887 2.487 3.461 . 0 0 "[ . 1 . 2]" 1
526 1 54 VAL MG1 1 55 THR H 4.000 . 4.750 2.173 1.827 2.470 . 0 0 "[ . 1 . 2]" 1
527 1 54 VAL MG2 1 55 THR H 5.000 . 6.000 4.020 3.796 4.200 . 0 0 "[ . 1 . 2]" 1
528 1 55 THR H 1 56 GLY H 5.000 . 6.000 4.426 4.384 4.468 . 0 0 "[ . 1 . 2]" 1
529 1 55 THR HA 1 56 GLY H 3.000 . 3.500 2.527 2.429 2.588 . 0 0 "[ . 1 . 2]" 1
530 1 55 THR HB 1 56 GLY H 3.000 . 3.500 2.589 2.255 3.520 0.020 14 0 "[ . 1 . 2]" 1
531 1 55 THR MG 1 56 GLY H 4.000 . 4.750 3.094 1.879 3.706 . 0 0 "[ . 1 . 2]" 1
532 1 55 THR MG 1 56 GLY QA 4.000 . 4.750 4.312 3.117 4.788 0.038 13 0 "[ . 1 . 2]" 1
533 1 56 GLY H 1 57 GLU H 4.000 . 4.750 4.549 3.634 4.618 . 0 0 "[ . 1 . 2]" 1
534 1 56 GLY QA 1 57 GLU H 3.000 . 3.500 2.222 2.158 2.573 . 0 0 "[ . 1 . 2]" 1
535 1 57 GLU HA 1 58 PRO HA 4.000 . 4.750 4.412 4.377 4.721 . 0 0 "[ . 1 . 2]" 1
536 1 58 PRO HA 1 59 GLN H 4.000 . 4.750 3.511 3.471 3.555 . 0 0 "[ . 1 . 2]" 1
537 1 59 GLN H 1 60 GLU H 4.000 . 4.750 2.653 2.542 2.767 . 0 0 "[ . 1 . 2]" 1
538 1 59 GLN HA 1 60 GLU H 3.000 . 3.500 3.531 3.517 3.554 0.054 9 0 "[ . 1 . 2]" 1
539 1 59 GLN QB 1 60 GLU H 3.000 . 3.500 2.826 2.547 3.455 . 0 0 "[ . 1 . 2]" 1
540 1 60 GLU H 1 61 ARG H 3.000 . 3.500 2.668 2.520 2.737 . 0 0 "[ . 1 . 2]" 1
541 1 61 ARG H 1 62 ASP H 3.000 . 3.500 2.775 2.636 2.840 . 0 0 "[ . 1 . 2]" 1
542 1 61 ARG HA 1 62 ASP H 4.000 . 4.750 3.543 3.535 3.559 . 0 0 "[ . 1 . 2]" 1
543 1 62 ASP H 1 63 LYS H 3.000 . 3.500 2.911 2.840 2.962 . 0 0 "[ . 1 . 2]" 1
544 1 62 ASP HA 1 63 LYS H 4.000 . 4.750 3.613 3.590 3.623 . 0 0 "[ . 1 . 2]" 1
545 1 62 ASP QB 1 63 LYS H 3.000 . 3.500 2.837 2.612 3.476 . 0 0 "[ . 1 . 2]" 1
546 1 63 LYS H 1 64 ALA H 3.000 . 3.500 2.682 2.585 2.787 . 0 0 "[ . 1 . 2]" 1
547 1 63 LYS HA 1 64 ALA H 3.000 . 3.500 3.526 3.489 3.547 0.047 7 0 "[ . 1 . 2]" 1
548 1 63 LYS QB 1 64 ALA H 3.000 . 3.500 2.561 2.361 2.845 . 0 0 "[ . 1 . 2]" 1
549 1 63 LYS QD 1 64 ALA H 4.000 . 4.750 4.351 3.756 4.766 0.016 1 0 "[ . 1 . 2]" 1
550 1 64 ALA H 1 65 LEU H 3.000 . 3.500 2.637 2.423 2.751 . 0 0 "[ . 1 . 2]" 1
551 1 64 ALA MB 1 65 LEU H 3.000 . 3.500 2.673 2.525 2.788 . 0 0 "[ . 1 . 2]" 1
552 1 65 LEU H 1 66 GLN H 3.000 . 3.500 2.602 2.507 2.766 . 0 0 "[ . 1 . 2]" 1
553 1 65 LEU MD1 1 66 GLN H 4.000 . 4.750 4.253 4.030 4.851 0.101 6 0 "[ . 1 . 2]" 1
554 1 66 GLN H 1 67 GLU H 3.000 . 3.500 2.559 2.520 2.595 . 0 0 "[ . 1 . 2]" 1
555 1 66 GLN QB 1 67 GLU H 3.000 . 3.500 3.147 2.354 3.473 . 0 0 "[ . 1 . 2]" 1
556 1 66 GLN QG 1 67 GLU H 4.000 . 4.750 2.281 1.802 3.803 . 0 0 "[ . 1 . 2]" 1
557 1 67 GLU H 1 68 LEU H 3.000 . 3.500 2.617 2.519 2.700 . 0 0 "[ . 1 . 2]" 1
558 1 67 GLU HA 1 68 LEU H 3.000 . 3.500 3.509 3.477 3.535 0.035 19 0 "[ . 1 . 2]" 1
559 1 68 LEU H 1 69 ARG H 3.000 . 3.500 2.640 2.556 2.715 . 0 0 "[ . 1 . 2]" 1
560 1 68 LEU HA 1 69 ARG H 3.000 . 3.500 3.546 3.534 3.560 0.060 9 0 "[ . 1 . 2]" 1
561 1 68 LEU QB 1 69 ARG H 4.000 . 4.750 2.514 2.354 3.327 . 0 0 "[ . 1 . 2]" 1
562 1 68 LEU QD 1 69 ARG HA 4.000 . 4.750 4.389 2.517 4.767 0.017 2 0 "[ . 1 . 2]" 1
563 1 69 ARG H 1 70 GLN H 3.000 . 3.500 2.826 2.746 2.897 . 0 0 "[ . 1 . 2]" 1
564 1 69 ARG HA 1 70 GLN H 4.000 . 4.750 3.559 3.532 3.581 . 0 0 "[ . 1 . 2]" 1
565 1 69 ARG QB 1 70 GLN H 3.000 . 3.500 2.677 2.394 3.481 . 0 0 "[ . 1 . 2]" 1
566 1 70 GLN H 1 71 GLU H 3.000 . 3.500 2.474 2.386 2.543 . 0 0 "[ . 1 . 2]" 1
567 1 70 GLN HA 1 71 GLU H 4.000 . 4.750 3.496 3.472 3.546 . 0 0 "[ . 1 . 2]" 1
568 1 70 GLN QB 1 71 GLU H 3.000 . 3.500 3.101 2.643 3.507 0.007 6 0 "[ . 1 . 2]" 1
569 1 71 GLU H 1 72 LEU H 3.000 . 3.500 2.719 2.582 2.798 . 0 0 "[ . 1 . 2]" 1
570 1 71 GLU QB 1 72 LEU H 4.000 . 4.750 2.637 2.419 2.858 . 0 0 "[ . 1 . 2]" 1
571 1 72 LEU H 1 73 ASN H 4.000 . 4.750 2.533 2.460 2.577 . 0 0 "[ . 1 . 2]" 1
572 1 72 LEU HA 1 73 ASN H 3.000 . 3.500 3.523 3.506 3.531 0.031 12 0 "[ . 1 . 2]" 1
573 1 72 LEU MD1 1 73 ASN H 5.000 . 6.000 4.266 3.765 4.749 . 0 0 "[ . 1 . 2]" 1
574 1 73 ASN HA 1 74 THR H 3.000 . 3.500 3.522 3.500 3.546 0.046 11 0 "[ . 1 . 2]" 1
575 1 73 ASN QB 1 74 THR H 3.000 . 3.500 2.794 2.542 3.178 . 0 0 "[ . 1 . 2]" 1
576 1 74 THR H 1 75 LEU H 4.000 . 4.750 2.464 2.367 2.544 . 0 0 "[ . 1 . 2]" 1
577 1 74 THR HA 1 75 LEU H 4.000 . 4.750 3.528 3.493 3.553 . 0 0 "[ . 1 . 2]" 1
578 1 74 THR MG 1 75 LEU H 5.000 . 6.000 3.109 1.856 4.201 . 0 0 "[ . 1 . 2]" 1
579 1 74 THR MG 1 75 LEU MD1 5.000 . 6.000 4.826 3.296 6.031 0.031 13 0 "[ . 1 . 2]" 1
580 1 74 THR MG 1 75 LEU MD2 5.000 . 6.000 4.915 3.808 6.015 0.015 2 0 "[ . 1 . 2]" 1
581 1 75 LEU H 1 76 ALA H 4.000 . 4.750 2.706 2.502 2.846 . 0 0 "[ . 1 . 2]" 1
582 1 75 LEU HA 1 76 ALA H 4.000 . 4.750 3.515 3.489 3.546 . 0 0 "[ . 1 . 2]" 1
583 1 75 LEU HB2 1 76 ALA H 4.000 . 4.750 3.135 3.036 3.243 . 0 0 "[ . 1 . 2]" 1
584 1 75 LEU MD1 1 76 ALA H 5.000 . 6.000 4.814 4.672 4.908 . 0 0 "[ . 1 . 2]" 1
585 1 75 LEU MD2 1 76 ALA H 5.000 . 6.000 4.562 4.460 4.676 . 0 0 "[ . 1 . 2]" 1
586 1 76 ALA H 1 77 ASN H 4.000 . 4.750 2.579 2.465 2.838 . 0 0 "[ . 1 . 2]" 1
587 1 76 ALA MB 1 77 ASN H 5.000 . 6.000 2.774 2.441 2.936 . 0 0 "[ . 1 . 2]" 1
588 1 77 ASN H 1 78 PRO QD 3.000 . 3.500 2.191 2.098 2.307 . 0 0 "[ . 1 . 2]" 1
589 1 77 ASN QB 1 78 PRO QD 3.000 . 3.500 2.092 1.937 2.496 . 0 0 "[ . 1 . 2]" 1
590 1 78 PRO HA 1 79 PHE H 4.000 . 4.750 3.574 3.515 3.591 . 0 0 "[ . 1 . 2]" 1
591 1 78 PRO QB 1 79 PHE H 4.000 . 4.750 3.171 3.017 3.364 . 0 0 "[ . 1 . 2]" 1
592 1 78 PRO QD 1 79 PHE H 4.000 . 4.750 2.694 2.644 2.757 . 0 0 "[ . 1 . 2]" 1
593 1 79 PHE H 1 80 LEU H 4.000 . 4.750 2.727 2.677 2.790 . 0 0 "[ . 1 . 2]" 1
594 1 79 PHE HB3 1 80 LEU H 5.000 . 6.000 2.380 2.306 2.482 . 0 0 "[ . 1 . 2]" 1
595 1 79 PHE HB2 1 80 LEU H 4.000 . 4.750 3.799 3.676 3.878 . 0 0 "[ . 1 . 2]" 1
596 1 79 PHE QD 1 80 LEU MD2 5.000 . 6.000 3.836 3.350 4.569 . 0 0 "[ . 1 . 2]" 1
597 1 79 PHE QE 1 80 LEU MD2 4.000 . 4.750 4.103 3.536 4.743 . 0 0 "[ . 1 . 2]" 1
598 1 80 LEU H 1 81 ALA H 4.000 . 4.750 2.725 2.666 2.819 . 0 0 "[ . 1 . 2]" 1
599 1 80 LEU H 1 81 ALA MB 5.000 . 6.000 4.360 4.287 4.432 . 0 0 "[ . 1 . 2]" 1
600 1 81 ALA H 1 82 LYS H 3.000 . 3.500 2.600 2.493 2.701 . 0 0 "[ . 1 . 2]" 1
601 1 82 LYS H 1 83 TYR H 3.000 . 3.500 2.714 2.634 2.795 . 0 0 "[ . 1 . 2]" 1
602 1 82 LYS H 1 83 TYR HB3 5.000 . 6.000 5.584 5.415 5.668 . 0 0 "[ . 1 . 2]" 1
603 1 82 LYS QB 1 83 TYR H 3.000 . 3.500 2.596 2.417 2.723 . 0 0 "[ . 1 . 2]" 1
604 1 83 TYR H 1 84 ARG H 3.000 . 3.500 2.508 2.444 2.677 . 0 0 "[ . 1 . 2]" 1
605 1 83 TYR HA 1 84 ARG H 3.000 . 3.500 3.514 3.499 3.557 0.057 9 0 "[ . 1 . 2]" 1
606 1 84 ARG H 1 85 ASP H 4.000 . 4.750 2.616 2.539 2.692 . 0 0 "[ . 1 . 2]" 1
607 1 84 ARG HA 1 85 ASP H 5.000 . 6.000 3.525 3.500 3.559 . 0 0 "[ . 1 . 2]" 1
608 1 86 PHE HB3 1 87 LEU QB 5.000 . 6.000 4.407 4.145 4.672 . 0 0 "[ . 1 . 2]" 1
609 1 86 PHE HB3 1 87 LEU QD 5.000 . 6.000 2.824 2.461 3.312 . 0 0 "[ . 1 . 2]" 1
610 1 86 PHE HB2 1 87 LEU QD 4.000 . 4.750 4.293 3.967 4.768 0.018 17 0 "[ . 1 . 2]" 1
611 1 86 PHE QD 1 87 LEU H 5.000 . 6.000 4.352 4.071 4.520 . 0 0 "[ . 1 . 2]" 1
612 1 86 PHE QD 1 87 LEU HA 5.000 . 6.000 4.613 4.082 4.931 . 0 0 "[ . 1 . 2]" 1
613 1 86 PHE QD 1 87 LEU HG 5.000 . 6.000 5.773 4.784 6.017 0.017 2 0 "[ . 1 . 2]" 1
614 1 86 PHE QD 1 87 LEU QD 5.000 . 6.000 3.070 2.593 3.577 . 0 0 "[ . 1 . 2]" 1
615 1 86 PHE QE 1 87 LEU QD 4.000 . 4.750 4.295 3.768 4.736 . 0 0 "[ . 1 . 2]" 1
616 1 87 LEU H 1 88 LYS H 4.000 . 4.750 2.417 2.380 2.465 . 0 0 "[ . 1 . 2]" 1
617 1 87 LEU HA 1 88 LYS H 5.000 . 6.000 3.512 3.493 3.523 . 0 0 "[ . 1 . 2]" 1
618 1 87 LEU HG 1 88 LYS H 5.000 . 6.000 4.934 4.447 5.099 . 0 0 "[ . 1 . 2]" 1
619 1 87 LEU QB 1 88 LYS H 5.000 . 6.000 2.533 2.439 2.608 . 0 0 "[ . 1 . 2]" 1
620 1 87 LEU QB 1 88 LYS HA 4.000 . 4.750 3.789 3.744 3.843 . 0 0 "[ . 1 . 2]" 1
621 1 87 LEU QB 1 88 LYS QB 4.000 . 4.750 3.959 3.661 4.368 . 0 0 "[ . 1 . 2]" 1
622 1 87 LEU QD 1 88 LYS H 5.000 . 6.000 3.864 3.694 4.038 . 0 0 "[ . 1 . 2]" 1
623 1 88 LYS HA 1 89 SER H 3.000 . 3.500 3.514 3.492 3.548 0.048 16 0 "[ . 1 . 2]" 1
624 1 88 LYS QB 1 89 SER H 3.000 . 3.500 2.991 2.624 3.494 . 0 0 "[ . 1 . 2]" 1
625 1 89 SER HA 1 90 HIS H 4.000 . 4.750 3.384 3.246 3.494 . 0 0 "[ . 1 . 2]" 1
626 1 90 HIS H 1 91 GLU H 4.000 . 4.750 4.447 4.289 4.752 0.002 12 0 "[ . 1 . 2]" 1
627 1 90 HIS HA 1 91 GLU H 3.000 . 3.500 2.240 2.080 2.644 . 0 0 "[ . 1 . 2]" 1
628 1 90 HIS QB 1 91 GLU H 5.000 . 6.000 3.336 2.195 3.839 . 0 0 "[ . 1 . 2]" 1
629 1 91 GLU H 1 92 LEU H 4.000 . 4.750 4.306 3.663 4.588 . 0 0 "[ . 1 . 2]" 1
630 1 91 GLU HA 1 92 LEU H 3.000 . 3.500 2.257 2.135 2.447 . 0 0 "[ . 1 . 2]" 1
631 1 91 GLU QB 1 92 LEU H 4.000 . 4.750 3.492 2.830 3.978 . 0 0 "[ . 1 . 2]" 1
632 1 2 LEU H 1 4 ALA H 5.000 . 6.000 4.653 3.009 6.000 . 5 0 "[ . 1 . 2]" 1
633 1 2 LEU HA 1 4 ALA H 4.000 . 4.750 3.746 3.216 4.766 0.016 13 0 "[ . 1 . 2]" 1
634 1 5 ASN H 1 7 ASP H 4.000 . 4.750 3.879 3.801 4.024 . 0 0 "[ . 1 . 2]" 1
635 1 6 LYS H 1 8 LEU H 5.000 . 6.000 4.349 4.263 4.544 . 0 0 "[ . 1 . 2]" 1
636 1 7 ASP H 1 9 ILE H 4.000 . 4.750 4.092 3.986 4.188 . 0 0 "[ . 1 . 2]" 1
637 1 8 LEU H 1 10 SER H 4.000 . 4.750 4.328 4.232 4.386 . 0 0 "[ . 1 . 2]" 1
638 1 10 SER H 1 12 GLY H 4.000 . 4.750 4.370 4.274 4.504 . 0 0 "[ . 1 . 2]" 1
639 1 12 GLY H 1 14 LYS H 4.000 . 4.750 4.392 4.218 4.575 . 0 0 "[ . 1 . 2]" 1
640 1 14 LYS H 1 16 PHE H 5.000 . 6.000 4.380 4.311 4.465 . 0 0 "[ . 1 . 2]" 1
641 1 15 GLU H 1 17 SER H 4.000 . 4.750 4.152 4.026 4.315 . 0 0 "[ . 1 . 2]" 1
642 1 16 PHE H 1 18 VAL H 5.000 . 6.000 4.252 4.050 4.370 . 0 0 "[ . 1 . 2]" 1
643 1 19 LEU H 1 21 ASN H 5.000 . 6.000 4.001 3.823 4.172 . 0 0 "[ . 1 . 2]" 1
644 1 19 LEU HA 1 21 ASN H 5.000 . 6.000 4.405 4.299 4.574 . 0 0 "[ . 1 . 2]" 1
645 1 23 GLN QB 1 25 PHE QD 5.000 . 6.000 4.257 3.392 5.458 . 0 0 "[ . 1 . 2]" 1
646 1 23 GLN QB 1 25 PHE QE 5.000 . 6.000 3.316 2.162 5.212 . 0 0 "[ . 1 . 2]" 1
647 1 24 VAL MG1 1 26 ASN QB 5.000 . 6.000 3.248 2.349 5.059 . 0 0 "[ . 1 . 2]" 1
648 1 24 VAL MG1 1 26 ASN QD 5.000 . 6.000 3.843 1.961 5.954 . 0 0 "[ . 1 . 2]" 1
649 1 25 PHE HA 1 27 ASP H 5.000 . 6.000 6.101 6.000 6.199 0.199 14 0 "[ . 1 . 2]" 1
650 1 27 ASP HA 1 29 LEU H 4.000 . 4.750 2.612 1.818 3.435 . 0 0 "[ . 1 . 2]" 1
651 1 27 ASP HA 1 29 LEU MD1 5.000 . 6.000 3.648 2.274 4.668 . 0 0 "[ . 1 . 2]" 1
652 1 27 ASP HA 1 29 LEU MD2 4.000 . 4.750 3.737 1.850 4.193 . 0 0 "[ . 1 . 2]" 1
653 1 27 ASP QB 1 29 LEU H 4.000 . 4.750 3.859 3.154 4.843 0.093 8 0 "[ . 1 . 2]" 1
654 1 31 SER QB 1 33 GLU H 5.000 . 6.000 2.728 2.431 3.065 . 0 0 "[ . 1 . 2]" 1
655 1 38 VAL MG1 1 40 GLU H 5.000 . 6.000 5.211 5.042 5.301 . 0 0 "[ . 1 . 2]" 1
656 1 45 PHE H 1 47 ILE H 4.000 . 4.750 4.181 4.015 4.415 . 0 0 "[ . 1 . 2]" 1
657 1 47 ILE HA 1 49 TYR H 4.000 . 4.750 4.505 4.312 4.664 . 0 0 "[ . 1 . 2]" 1
658 1 50 TYR H 1 52 GLN H 5.000 . 6.000 4.129 3.971 4.218 . 0 0 "[ . 1 . 2]" 1
659 1 50 TYR HA 1 52 GLN H 5.000 . 6.000 3.848 3.601 4.035 . 0 0 "[ . 1 . 2]" 1
660 1 52 GLN H 1 54 VAL H 4.000 . 4.750 4.514 4.013 4.818 0.068 9 0 "[ . 1 . 2]" 1
661 1 60 GLU H 1 62 ASP H 4.000 . 4.750 4.294 4.218 4.361 . 0 0 "[ . 1 . 2]" 1
662 1 70 GLN H 1 72 LEU H 5.000 . 6.000 4.180 3.852 4.334 . 0 0 "[ . 1 . 2]" 1
663 1 2 LEU H 1 5 ASN QD 5.000 . 6.000 5.630 4.139 6.045 0.045 9 0 "[ . 1 . 2]" 1
664 1 2 LEU QB 1 5 ASN QB 4.000 . 4.750 3.578 1.973 4.767 0.017 3 0 "[ . 1 . 2]" 1
665 1 3 LYS HA 1 6 LYS H 3.000 . 3.500 3.423 3.218 3.527 0.027 13 0 "[ . 1 . 2]" 1
666 1 3 LYS HA 1 6 LYS QB 3.000 . 3.500 2.736 2.412 3.508 0.008 3 0 "[ . 1 . 2]" 1
667 1 4 ALA HA 1 7 ASP H 3.000 . 3.500 3.526 3.451 3.564 0.064 6 0 "[ . 1 . 2]" 1
668 1 4 ALA HA 1 7 ASP QB 3.000 . 3.500 2.597 2.330 3.180 . 0 0 "[ . 1 . 2]" 1
669 1 5 ASN HA 1 8 LEU H 4.000 . 4.750 3.517 3.430 3.670 . 0 0 "[ . 1 . 2]" 1
670 1 5 ASN HA 1 8 LEU QB 3.000 . 3.500 3.023 2.868 3.154 . 0 0 "[ . 1 . 2]" 1
671 1 6 LYS HA 1 9 ILE HB 3.000 . 3.500 2.958 2.601 3.500 0.000 16 0 "[ . 1 . 2]" 1
672 1 7 ASP HA 1 10 SER H 3.000 . 3.500 3.548 3.531 3.566 0.066 15 0 "[ . 1 . 2]" 1
673 1 7 ASP HA 1 10 SER QB 3.000 . 3.500 2.808 2.425 3.493 . 0 0 "[ . 1 . 2]" 1
674 1 8 LEU HA 1 11 ALA H 3.000 . 3.500 3.513 3.413 3.561 0.061 17 0 "[ . 1 . 2]" 1
675 1 8 LEU HA 1 11 ALA MB 3.000 . 3.500 2.556 2.222 2.828 . 0 0 "[ . 1 . 2]" 1
676 1 8 LEU MD1 1 11 ALA H 5.000 . 6.000 5.284 4.383 6.040 0.040 13 0 "[ . 1 . 2]" 1
677 1 9 ILE HA 1 12 GLY H 4.000 . 4.750 3.454 3.253 3.727 . 0 0 "[ . 1 . 2]" 1
678 1 10 SER HA 1 13 LEU H 3.000 . 3.500 3.341 3.141 3.500 . 0 0 "[ . 1 . 2]" 1
679 1 10 SER HA 1 13 LEU HB3 3.000 . 3.500 3.185 3.029 3.360 . 0 0 "[ . 1 . 2]" 1
680 1 10 SER HA 1 13 LEU HB2 3.000 . 3.500 1.985 1.844 2.170 . 0 0 "[ . 1 . 2]" 1
681 1 11 ALA HA 1 14 LYS H 3.000 . 3.500 3.610 3.567 3.663 0.163 17 0 "[ . 1 . 2]" 1
682 1 11 ALA HA 1 14 LYS QB 3.000 . 3.500 3.318 2.933 3.558 0.058 6 0 "[ . 1 . 2]" 1
683 1 12 GLY QA 1 15 GLU H 5.000 . 6.000 3.412 3.231 3.741 . 0 0 "[ . 1 . 2]" 1
684 1 12 GLY QA 1 15 GLU QB 5.000 . 6.000 2.238 1.938 3.506 . 0 0 "[ . 1 . 2]" 1
685 1 13 LEU HA 1 16 PHE H 3.000 . 3.500 3.575 3.541 3.639 0.139 11 0 "[ . 1 . 2]" 1
686 1 13 LEU HA 1 16 PHE HB3 4.000 . 4.750 3.621 3.364 3.789 . 0 0 "[ . 1 . 2]" 1
687 1 13 LEU HA 1 16 PHE HB2 4.000 . 4.750 3.622 3.185 3.828 . 0 0 "[ . 1 . 2]" 1
688 1 14 LYS HA 1 17 SER H 3.000 . 3.500 3.546 3.521 3.592 0.092 6 0 "[ . 1 . 2]" 1
689 1 15 GLU HA 1 18 VAL H 4.000 . 4.750 4.001 3.685 4.187 . 0 0 "[ . 1 . 2]" 1
690 1 15 GLU HA 1 18 VAL HB 3.000 . 3.500 3.232 2.905 3.500 . 0 0 "[ . 1 . 2]" 1
691 1 15 GLU HA 1 18 VAL MG1 4.000 . 4.750 4.488 4.081 4.755 0.005 14 0 "[ . 1 . 2]" 1
692 1 15 GLU HA 1 18 VAL MG2 4.000 . 4.750 3.734 3.293 4.007 . 0 0 "[ . 1 . 2]" 1
693 1 16 PHE H 1 19 LEU MD2 5.000 . 6.000 5.037 4.715 5.211 . 0 0 "[ . 1 . 2]" 1
694 1 16 PHE HA 1 19 LEU H 3.000 . 3.500 3.365 3.154 3.511 0.011 12 0 "[ . 1 . 2]" 1
695 1 16 PHE HA 1 19 LEU HB3 3.000 . 3.500 2.282 2.152 2.483 . 0 0 "[ . 1 . 2]" 1
696 1 16 PHE HA 1 19 LEU HB2 4.000 . 4.750 3.318 3.023 3.721 . 0 0 "[ . 1 . 2]" 1
697 1 16 PHE HA 1 19 LEU MD1 5.000 . 6.000 4.432 4.161 4.693 . 0 0 "[ . 1 . 2]" 1
698 1 16 PHE HA 1 19 LEU MD2 5.000 . 6.000 2.617 2.257 2.852 . 0 0 "[ . 1 . 2]" 1
699 1 16 PHE HB3 1 19 LEU MD2 5.000 . 6.000 4.861 4.619 5.072 . 0 0 "[ . 1 . 2]" 1
700 1 16 PHE QD 1 19 LEU MD1 5.000 . 6.000 4.299 3.897 4.548 . 0 0 "[ . 1 . 2]" 1
701 1 16 PHE QD 1 19 LEU MD2 5.000 . 6.000 2.007 1.871 2.393 . 0 0 "[ . 1 . 2]" 1
702 1 16 PHE QE 1 19 LEU MD1 4.000 . 4.750 4.736 4.246 4.788 0.038 9 0 "[ . 1 . 2]" 1
703 1 16 PHE QE 1 19 LEU MD2 5.000 . 6.000 2.460 2.175 2.778 . 0 0 "[ . 1 . 2]" 1
704 1 17 SER HA 1 20 LEU H 5.000 . 6.000 3.670 3.523 3.870 . 0 0 "[ . 1 . 2]" 1
705 1 17 SER HA 1 20 LEU MD1 5.000 . 6.000 2.733 1.926 4.266 . 0 0 "[ . 1 . 2]" 1
706 1 17 SER HA 1 20 LEU MD2 5.000 . 6.000 4.698 3.900 4.909 . 0 0 "[ . 1 . 2]" 1
707 1 17 SER HA 1 20 LEU QB 3.000 . 3.500 3.346 2.952 3.518 0.018 6 0 "[ . 1 . 2]" 1
708 1 17 SER QB 1 20 LEU MD1 5.000 . 6.000 4.308 3.767 5.399 . 0 0 "[ . 1 . 2]" 1
709 1 18 VAL HA 1 21 ASN H 4.000 . 4.750 3.445 3.257 3.641 . 0 0 "[ . 1 . 2]" 1
710 1 18 VAL HA 1 21 ASN QB 3.000 . 3.500 2.853 2.413 3.513 0.013 15 0 "[ . 1 . 2]" 1
711 1 18 VAL HA 1 21 ASN QD 4.000 . 4.750 3.928 1.992 4.744 . 0 0 "[ . 1 . 2]" 1
712 1 18 VAL MG1 1 21 ASN H 5.000 . 6.000 4.612 4.426 4.812 . 0 0 "[ . 1 . 2]" 1
713 1 19 LEU HA 1 22 GLN H 5.000 . 6.000 3.407 3.181 3.656 . 0 0 "[ . 1 . 2]" 1
714 1 19 LEU HA 1 22 GLN QB 3.000 . 3.500 3.211 2.643 3.580 0.080 3 0 "[ . 1 . 2]" 1
715 1 19 LEU HA 1 22 GLN QE 4.000 . 4.750 4.342 2.872 4.762 0.012 16 0 "[ . 1 . 2]" 1
716 1 19 LEU MD1 1 22 GLN H 5.000 . 6.000 5.280 4.698 5.791 . 0 0 "[ . 1 . 2]" 1
717 1 20 LEU HA 1 23 GLN QG 5.000 . 6.000 2.918 2.271 3.695 . 0 0 "[ . 1 . 2]" 1
718 1 20 LEU MD2 1 23 GLN QG 5.000 . 6.000 3.727 2.889 4.524 . 0 0 "[ . 1 . 2]" 1
719 1 22 GLN HA 1 25 PHE QD 5.000 . 6.000 5.817 4.810 6.120 0.120 16 0 "[ . 1 . 2]" 1
720 1 22 GLN HA 1 25 PHE QE 5.000 . 6.000 4.870 3.641 5.828 . 0 0 "[ . 1 . 2]" 1
721 1 26 ASN HA 1 29 LEU MD1 5.000 . 6.000 5.397 4.340 6.028 0.028 10 0 "[ . 1 . 2]" 1
722 1 26 ASN HA 1 29 LEU MD2 4.000 . 4.750 4.249 3.432 4.763 0.013 13 0 "[ . 1 . 2]" 1
723 1 31 SER H 1 34 ASP H 5.000 . 6.000 4.047 3.942 4.163 . 0 0 "[ . 1 . 2]" 1
724 1 31 SER H 1 34 ASP QB 5.000 . 6.000 2.703 2.397 3.159 . 0 0 "[ . 1 . 2]" 1
725 1 31 SER HA 1 34 ASP H 4.000 . 4.750 4.756 4.682 4.813 0.063 17 0 "[ . 1 . 2]" 1
726 1 33 GLU H 1 36 VAL MG2 5.000 . 6.000 4.113 3.934 4.299 . 0 0 "[ . 1 . 2]" 1
727 1 33 GLU HA 1 36 VAL H 3.000 . 3.500 3.447 3.273 3.525 0.025 11 0 "[ . 1 . 2]" 1
728 1 33 GLU HA 1 36 VAL MG1 4.000 . 4.750 4.070 3.917 4.201 . 0 0 "[ . 1 . 2]" 1
729 1 33 GLU HA 1 36 VAL MG2 4.000 . 4.750 2.477 2.085 2.855 . 0 0 "[ . 1 . 2]" 1
730 1 33 GLU QB 1 36 VAL MG2 5.000 . 6.000 4.211 3.931 4.512 . 0 0 "[ . 1 . 2]" 1
731 1 33 GLU QG 1 36 VAL MG2 5.000 . 6.000 4.235 3.432 5.098 . 0 0 "[ . 1 . 2]" 1
732 1 34 ASP H 1 37 THR MG 5.000 . 6.000 5.737 5.021 6.041 0.041 7 0 "[ . 1 . 2]" 1
733 1 34 ASP HA 1 37 THR H 3.000 . 3.500 3.500 3.429 3.531 0.031 17 0 "[ . 1 . 2]" 1
734 1 34 ASP HA 1 37 THR MG 5.000 . 6.000 3.633 2.693 4.102 . 0 0 "[ . 1 . 2]" 1
735 1 34 ASP QB 1 37 THR MG 5.000 . 6.000 5.015 3.905 5.578 . 0 0 "[ . 1 . 2]" 1
736 1 35 MET H 1 38 VAL MG2 5.000 . 6.000 4.154 4.002 4.264 . 0 0 "[ . 1 . 2]" 1
737 1 35 MET HA 1 38 VAL H 3.000 . 3.500 3.431 3.278 3.511 0.011 13 0 "[ . 1 . 2]" 1
738 1 35 MET HA 1 38 VAL HB 3.000 . 3.500 2.798 2.671 2.959 . 0 0 "[ . 1 . 2]" 1
739 1 35 MET HA 1 38 VAL MG1 5.000 . 6.000 4.079 3.967 4.214 . 0 0 "[ . 1 . 2]" 1
740 1 35 MET HA 1 38 VAL MG2 4.000 . 4.750 2.373 2.031 2.732 . 0 0 "[ . 1 . 2]" 1
741 1 35 MET ME 1 38 VAL MG1 5.000 . 6.000 3.749 2.298 5.171 . 0 0 "[ . 1 . 2]" 1
742 1 35 MET ME 1 38 VAL MG2 5.000 . 6.000 3.843 2.559 5.172 . 0 0 "[ . 1 . 2]" 1
743 1 36 VAL H 1 39 VAL MG2 5.000 . 6.000 4.139 3.781 4.511 . 0 0 "[ . 1 . 2]" 1
744 1 36 VAL HA 1 39 VAL H 4.000 . 4.750 3.493 3.372 3.625 . 0 0 "[ . 1 . 2]" 1
745 1 36 VAL HA 1 39 VAL HB 3.000 . 3.500 2.926 2.804 3.098 . 0 0 "[ . 1 . 2]" 1
746 1 36 VAL HA 1 39 VAL MG1 5.000 . 6.000 4.236 4.064 4.468 . 0 0 "[ . 1 . 2]" 1
747 1 36 VAL MG1 1 39 VAL MG1 5.000 . 6.000 4.543 4.290 4.787 . 0 0 "[ . 1 . 2]" 1
748 1 37 THR HA 1 40 GLU H 3.000 . 3.500 3.501 3.419 3.540 0.040 19 0 "[ . 1 . 2]" 1
749 1 37 THR HA 1 40 GLU QB 3.000 . 3.500 2.564 2.272 2.803 . 0 0 "[ . 1 . 2]" 1
750 1 38 VAL HA 1 41 ASP H 5.000 . 6.000 3.694 3.512 3.882 . 0 0 "[ . 1 . 2]" 1
751 1 38 VAL HA 1 41 ASP QB 4.000 . 4.750 3.097 2.703 4.219 . 0 0 "[ . 1 . 2]" 1
752 1 39 VAL HA 1 42 TRP H 5.000 . 6.000 3.427 3.298 3.528 . 0 0 "[ . 1 . 2]" 1
753 1 39 VAL HA 1 42 TRP HB3 4.000 . 4.750 3.864 3.408 4.385 . 0 0 "[ . 1 . 2]" 1
754 1 39 VAL HA 1 42 TRP HB2 3.000 . 3.500 2.377 2.041 2.777 . 0 0 "[ . 1 . 2]" 1
755 1 39 VAL HA 1 42 TRP HD1 5.000 . 6.000 5.732 5.542 5.924 . 0 0 "[ . 1 . 2]" 1
756 1 39 VAL HA 1 42 TRP HE3 3.000 . 3.500 2.317 1.991 2.779 . 0 0 "[ . 1 . 2]" 1
757 1 39 VAL MG1 1 42 TRP H 5.000 . 6.000 4.586 4.435 4.723 . 0 0 "[ . 1 . 2]" 1
758 1 39 VAL MG1 1 42 TRP HB3 5.000 . 6.000 4.361 3.820 4.745 . 0 0 "[ . 1 . 2]" 1
759 1 39 VAL MG1 1 42 TRP HB2 5.000 . 6.000 3.528 3.296 3.690 . 0 0 "[ . 1 . 2]" 1
760 1 39 VAL MG1 1 42 TRP HE3 4.000 . 4.750 3.301 2.628 3.806 . 0 0 "[ . 1 . 2]" 1
761 1 39 VAL MG1 1 42 TRP HZ3 5.000 . 6.000 4.568 3.899 5.269 . 0 0 "[ . 1 . 2]" 1
762 1 39 VAL MG2 1 42 TRP HE3 4.000 . 4.750 3.229 2.772 3.522 . 0 0 "[ . 1 . 2]" 1
763 1 39 VAL MG2 1 42 TRP HZ3 5.000 . 6.000 3.386 2.841 3.979 . 0 0 "[ . 1 . 2]" 1
764 1 40 GLU HA 1 43 MET H 4.000 . 4.750 3.552 3.329 3.820 . 0 0 "[ . 1 . 2]" 1
765 1 40 GLU HA 1 43 MET ME 3.000 . 3.500 2.874 1.816 3.517 0.017 8 0 "[ . 1 . 2]" 1
766 1 40 GLU QG 1 43 MET ME 3.000 . 3.500 3.325 2.816 3.545 0.045 19 0 "[ . 1 . 2]" 1
767 1 40 GLU QG 1 43 MET QG 4.000 . 4.750 4.625 3.625 4.784 0.034 19 0 "[ . 1 . 2]" 1
768 1 41 ASP HA 1 44 ASN H 4.000 . 4.750 3.549 3.316 3.792 . 0 0 "[ . 1 . 2]" 1
769 1 41 ASP HA 1 44 ASN QB 3.000 . 3.500 3.080 2.586 3.511 0.011 10 0 "[ . 1 . 2]" 1
770 1 41 ASP HA 1 44 ASN QD 4.000 . 4.750 3.961 1.864 4.763 0.013 4 0 "[ . 1 . 2]" 1
771 1 42 TRP HA 1 45 PHE H 4.000 . 4.750 3.706 3.546 3.861 . 0 0 "[ . 1 . 2]" 1
772 1 42 TRP HA 1 45 PHE HZ 5.000 . 6.000 6.042 6.013 6.078 0.078 18 0 "[ . 1 . 2]" 1
773 1 42 TRP HA 1 45 PHE QB 4.000 . 4.750 2.586 2.054 2.912 . 0 0 "[ . 1 . 2]" 1
774 1 42 TRP HA 1 45 PHE QD 4.000 . 4.750 1.995 1.893 2.180 . 0 0 "[ . 1 . 2]" 1
775 1 42 TRP HA 1 45 PHE QE 4.000 . 4.750 3.971 3.830 4.165 . 0 0 "[ . 1 . 2]" 1
776 1 42 TRP HD1 1 45 PHE QB 4.000 . 4.750 3.766 3.491 4.027 . 0 0 "[ . 1 . 2]" 1
777 1 42 TRP HD1 1 45 PHE QD 3.000 . 3.500 2.878 2.486 3.166 . 0 0 "[ . 1 . 2]" 1
778 1 43 MET HA 1 46 TYR H 3.000 . 3.500 3.575 3.502 3.625 0.125 1 0 "[ . 1 . 2]" 1
779 1 43 MET HA 1 46 TYR QD 3.000 . 3.500 3.015 2.466 3.503 0.003 1 0 "[ . 1 . 2]" 1
780 1 43 MET HA 1 46 TYR QE 5.000 . 6.000 5.120 4.566 5.658 . 0 0 "[ . 1 . 2]" 1
781 1 44 ASN HA 1 47 ILE H 3.000 . 3.500 3.404 3.209 3.544 0.044 14 0 "[ . 1 . 2]" 1
782 1 44 ASN HA 1 47 ILE HB 3.000 . 3.500 2.468 2.222 2.989 . 0 0 "[ . 1 . 2]" 1
783 1 44 ASN HA 1 47 ILE MG 3.000 . 3.500 3.489 2.835 3.577 0.077 9 0 "[ . 1 . 2]" 1
784 1 44 ASN HA 1 47 ILE QG 4.000 . 4.750 3.563 2.941 4.608 . 0 0 "[ . 1 . 2]" 1
785 1 45 PHE HA 1 48 ASN H 4.000 . 4.750 3.941 3.832 4.062 . 0 0 "[ . 1 . 2]" 1
786 1 45 PHE HA 1 48 ASN QB 3.000 . 3.500 3.329 3.180 3.523 0.023 9 0 "[ . 1 . 2]" 1
787 1 45 PHE HA 1 48 ASN QD 4.000 . 4.750 4.229 3.384 4.769 0.019 9 0 "[ . 1 . 2]" 1
788 1 46 TYR HA 1 49 TYR H 3.000 . 3.500 3.523 3.342 3.585 0.085 14 0 "[ . 1 . 2]" 1
789 1 46 TYR HA 1 49 TYR HB3 3.000 . 3.500 2.188 2.064 2.334 . 0 0 "[ . 1 . 2]" 1
790 1 46 TYR HA 1 49 TYR HB2 3.000 . 3.500 3.404 2.670 3.536 0.036 2 0 "[ . 1 . 2]" 1
791 1 46 TYR HA 1 49 TYR QD 4.000 . 4.750 2.817 2.174 3.894 . 0 0 "[ . 1 . 2]" 1
792 1 46 TYR HA 1 49 TYR QE 5.000 . 6.000 4.970 4.345 5.492 . 0 0 "[ . 1 . 2]" 1
793 1 46 TYR QD 1 49 TYR QD 4.000 . 4.750 2.537 1.960 3.784 . 0 0 "[ . 1 . 2]" 1
794 1 46 TYR QD 1 49 TYR QE 4.000 . 4.750 3.890 2.795 4.813 0.063 1 0 "[ . 1 . 2]" 1
795 1 46 TYR QE 1 49 TYR QD 4.000 . 4.750 3.604 3.265 4.746 . 0 0 "[ . 1 . 2]" 1
796 1 46 TYR QE 1 49 TYR QE 4.000 . 4.750 3.550 2.543 4.767 0.017 18 0 "[ . 1 . 2]" 1
797 1 47 ILE HA 1 50 TYR H 4.000 . 4.750 3.795 3.524 4.027 . 0 0 "[ . 1 . 2]" 1
798 1 47 ILE HA 1 50 TYR QB 4.000 . 4.750 3.178 2.847 3.437 . 0 0 "[ . 1 . 2]" 1
799 1 47 ILE HA 1 50 TYR QD 4.000 . 4.750 3.397 2.167 4.547 . 0 0 "[ . 1 . 2]" 1
800 1 47 ILE HA 1 50 TYR QE 5.000 . 6.000 5.253 3.818 6.034 0.034 19 0 "[ . 1 . 2]" 1
801 1 48 ASN HA 1 51 ARG H 4.000 . 4.750 3.431 3.288 3.636 . 0 0 "[ . 1 . 2]" 1
802 1 48 ASN HA 1 51 ARG QB 3.000 . 3.500 2.913 2.323 3.525 0.025 7 0 "[ . 1 . 2]" 1
803 1 48 ASN HA 1 51 ARG QD 5.000 . 6.000 3.362 1.850 4.956 . 0 0 "[ . 1 . 2]" 1
804 1 49 TYR HA 1 52 GLN H 4.000 . 4.750 3.955 3.865 4.077 . 0 0 "[ . 1 . 2]" 1
805 1 49 TYR HA 1 52 GLN QB 3.000 . 3.500 3.519 3.375 3.562 0.062 1 0 "[ . 1 . 2]" 1
806 1 49 TYR HA 1 52 GLN QE 3.000 . 3.500 3.439 3.161 3.551 0.051 9 0 "[ . 1 . 2]" 1
807 1 50 TYR HA 1 53 GLN H 4.000 . 4.750 2.945 2.750 3.253 . 0 0 "[ . 1 . 2]" 1
808 1 50 TYR HA 1 53 GLN QB 3.000 . 3.500 2.610 1.884 3.559 0.059 2 0 "[ . 1 . 2]" 1
809 1 50 TYR HA 1 53 GLN QG 3.000 . 3.500 3.035 1.788 3.581 0.081 13 0 "[ . 1 . 2]" 1
810 1 50 TYR HA 1 53 GLN QE 5.000 . 6.000 4.174 1.786 5.770 0.014 17 0 "[ . 1 . 2]" 1
811 1 50 TYR QD 1 53 GLN QB 4.000 . 4.750 3.432 2.329 4.872 0.122 12 0 "[ . 1 . 2]" 1
812 1 50 TYR QD 1 53 GLN QG 4.000 . 4.750 3.665 2.346 4.765 0.015 18 0 "[ . 1 . 2]" 1
813 1 50 TYR QD 1 53 GLN QE 5.000 . 6.000 4.262 1.827 5.763 . 0 0 "[ . 1 . 2]" 1
814 1 50 TYR QE 1 53 GLN QB 5.000 . 6.000 4.796 3.944 5.995 . 0 0 "[ . 1 . 2]" 1
815 1 50 TYR QE 1 53 GLN QG 5.000 . 6.000 4.687 3.687 5.978 . 0 0 "[ . 1 . 2]" 1
816 1 50 TYR QE 1 53 GLN QE 5.000 . 6.000 4.663 2.232 6.068 0.068 6 0 "[ . 1 . 2]" 1
817 1 51 ARG HA 1 54 VAL H 5.000 . 6.000 4.845 3.797 5.487 . 0 0 "[ . 1 . 2]" 1
818 1 51 ARG HA 1 54 VAL MG1 4.000 . 4.750 4.767 4.517 4.813 0.063 20 0 "[ . 1 . 2]" 1
819 1 51 ARG HA 1 54 VAL MG2 3.000 . 3.500 2.646 2.300 2.876 . 0 0 "[ . 1 . 2]" 1
820 1 57 GLU H 1 60 GLU H 4.000 . 4.750 4.442 4.093 5.045 0.295 9 0 "[ . 1 . 2]" 1
821 1 57 GLU HA 1 60 GLU H 5.000 . 6.000 4.893 3.363 5.154 . 0 0 "[ . 1 . 2]" 1
822 1 58 PRO HA 1 61 ARG H 3.000 . 3.500 3.467 3.357 3.612 0.112 9 0 "[ . 1 . 2]" 1
823 1 58 PRO HA 1 61 ARG QD 3.000 . 3.500 2.711 1.830 3.535 0.035 12 0 "[ . 1 . 2]" 1
824 1 59 GLN H 1 62 ASP H 5.000 . 6.000 4.878 4.762 5.017 . 0 0 "[ . 1 . 2]" 1
825 1 59 GLN HA 1 62 ASP H 4.000 . 4.750 3.681 3.493 4.034 . 0 0 "[ . 1 . 2]" 1
826 1 59 GLN HA 1 62 ASP QB 3.000 . 3.500 2.984 2.690 3.393 . 0 0 "[ . 1 . 2]" 1
827 1 60 GLU H 1 63 LYS H 5.000 . 6.000 4.776 4.566 4.868 . 0 0 "[ . 1 . 2]" 1
828 1 60 GLU HA 1 63 LYS H 4.000 . 4.750 3.391 3.260 3.538 . 0 0 "[ . 1 . 2]" 1
829 1 60 GLU HA 1 63 LYS QB 3.000 . 3.500 2.714 2.460 2.839 . 0 0 "[ . 1 . 2]" 1
830 1 60 GLU HA 1 63 LYS QD 3.000 . 3.500 3.333 2.527 3.526 0.026 13 0 "[ . 1 . 2]" 1
831 1 60 GLU QB 1 63 LYS H 4.000 . 4.750 4.812 4.765 4.897 0.147 9 0 "[ . 1 . 2]" 1
832 1 61 ARG HA 1 64 ALA H 4.000 . 4.750 3.638 3.462 3.829 . 0 0 "[ . 1 . 2]" 1
833 1 61 ARG HA 1 64 ALA MB 4.000 . 4.750 2.816 2.530 3.030 . 0 0 "[ . 1 . 2]" 1
834 1 62 ASP HA 1 65 LEU H 3.000 . 3.500 3.408 3.241 3.545 0.045 15 0 "[ . 1 . 2]" 1
835 1 62 ASP HA 1 65 LEU HB3 4.000 . 4.750 3.953 3.708 4.209 . 0 0 "[ . 1 . 2]" 1
836 1 62 ASP HA 1 65 LEU HB2 3.000 . 3.500 2.463 2.258 2.621 . 0 0 "[ . 1 . 2]" 1
837 1 62 ASP HA 1 65 LEU MD1 3.000 . 3.500 3.571 3.521 3.640 0.140 20 0 "[ . 1 . 2]" 1
838 1 63 LYS HA 1 66 GLN H 3.000 . 3.500 3.382 3.212 3.527 0.027 20 0 "[ . 1 . 2]" 1
839 1 63 LYS HA 1 66 GLN QB 3.000 . 3.500 3.282 2.729 3.522 0.022 15 0 "[ . 1 . 2]" 1
840 1 63 LYS HA 1 66 GLN QG 3.000 . 3.500 2.299 1.851 2.977 . 0 0 "[ . 1 . 2]" 1
841 1 63 LYS HA 1 66 GLN QE 4.000 . 4.750 3.653 2.009 4.688 . 0 0 "[ . 1 . 2]" 1
842 1 63 LYS QG 1 66 GLN QG 3.000 . 3.500 3.248 3.023 3.539 0.039 9 0 "[ . 1 . 2]" 1
843 1 64 ALA HA 1 67 GLU QB 3.000 . 3.500 2.899 2.547 3.546 0.046 16 0 "[ . 1 . 2]" 1
844 1 65 LEU HA 1 68 LEU QD 5.000 . 6.000 3.404 1.847 3.979 . 0 0 "[ . 1 . 2]" 1
845 1 66 GLN HA 1 69 ARG H 3.000 . 3.500 3.501 3.441 3.556 0.056 19 0 "[ . 1 . 2]" 1
846 1 67 GLU HA 1 70 GLN H 3.000 . 3.500 3.524 3.462 3.552 0.052 2 0 "[ . 1 . 2]" 1
847 1 67 GLU HA 1 70 GLN QB 3.000 . 3.500 3.106 2.673 3.543 0.043 8 0 "[ . 1 . 2]" 1
848 1 67 GLU HA 1 70 GLN QE 5.000 . 6.000 4.453 2.614 6.002 0.002 7 0 "[ . 1 . 2]" 1
849 1 68 LEU HA 1 71 GLU QB 3.000 . 3.500 2.157 1.933 2.496 . 0 0 "[ . 1 . 2]" 1
850 1 68 LEU QD 1 71 GLU H 5.000 . 6.000 4.414 3.912 4.986 . 0 0 "[ . 1 . 2]" 1
851 1 68 LEU QD 1 71 GLU HA 5.000 . 6.000 5.382 4.821 6.038 0.038 7 0 "[ . 1 . 2]" 1
852 1 68 LEU QD 1 71 GLU QB 3.000 . 3.500 2.949 2.362 3.535 0.035 1 0 "[ . 1 . 2]" 1
853 1 69 ARG H 1 72 LEU MD1 5.000 . 6.000 4.628 3.525 6.075 0.075 8 0 "[ . 1 . 2]" 1
854 1 69 ARG HA 1 72 LEU H 4.000 . 4.750 3.592 3.351 3.757 . 0 0 "[ . 1 . 2]" 1
855 1 69 ARG HA 1 72 LEU HG 4.000 . 4.750 3.625 2.677 4.751 0.001 3 0 "[ . 1 . 2]" 1
856 1 69 ARG HA 1 72 LEU MD1 5.000 . 6.000 2.959 2.062 4.616 . 0 0 "[ . 1 . 2]" 1
857 1 69 ARG HA 1 72 LEU QB 3.000 . 3.500 3.218 2.730 3.506 0.006 16 0 "[ . 1 . 2]" 1
858 1 70 GLN HA 1 73 ASN H 3.000 . 3.500 3.389 3.258 3.515 0.015 1 0 "[ . 1 . 2]" 1
859 1 70 GLN HA 1 73 ASN QB 3.000 . 3.500 2.312 2.046 2.598 . 0 0 "[ . 1 . 2]" 1
860 1 70 GLN HA 1 73 ASN QD 4.000 . 4.750 2.980 1.886 4.631 . 0 0 "[ . 1 . 2]" 1
861 1 71 GLU HA 1 74 THR H 4.000 . 4.750 3.671 3.434 3.824 . 0 0 "[ . 1 . 2]" 1
862 1 71 GLU HA 1 74 THR MG 4.000 . 4.750 3.443 1.885 4.761 0.011 16 0 "[ . 1 . 2]" 1
863 1 72 LEU H 1 75 LEU HB3 5.000 . 6.000 6.029 6.005 6.068 0.068 7 0 "[ . 1 . 2]" 1
864 1 72 LEU HA 1 75 LEU H 4.000 . 4.750 3.352 3.150 3.572 . 0 0 "[ . 1 . 2]" 1
865 1 72 LEU HA 1 75 LEU MD1 5.000 . 6.000 3.261 2.905 3.584 . 0 0 "[ . 1 . 2]" 1
866 1 72 LEU HA 1 75 LEU MD2 5.000 . 6.000 4.954 4.783 5.166 . 0 0 "[ . 1 . 2]" 1
867 1 72 LEU MD2 1 75 LEU HG 5.000 . 6.000 5.505 4.835 6.012 0.012 9 0 "[ . 1 . 2]" 1
868 1 72 LEU MD2 1 75 LEU MD1 5.000 . 6.000 3.288 2.744 3.818 . 0 0 "[ . 1 . 2]" 1
869 1 72 LEU MD2 1 75 LEU MD2 5.000 . 6.000 5.070 4.691 5.683 . 0 0 "[ . 1 . 2]" 1
870 1 73 ASN HA 1 76 ALA H 4.000 . 4.750 3.931 3.660 4.127 . 0 0 "[ . 1 . 2]" 1
871 1 73 ASN HA 1 76 ALA MB 4.000 . 4.750 3.189 3.041 3.424 . 0 0 "[ . 1 . 2]" 1
872 1 74 THR HA 1 77 ASN QB 4.000 . 4.750 2.944 2.584 3.485 . 0 0 "[ . 1 . 2]" 1
873 1 74 THR MG 1 77 ASN QB 5.000 . 6.000 4.423 3.524 5.232 . 0 0 "[ . 1 . 2]" 1
874 1 76 ALA HA 1 79 PHE H 4.000 . 4.750 3.370 3.168 3.518 . 0 0 "[ . 1 . 2]" 1
875 1 76 ALA MB 1 79 PHE H 5.000 . 6.000 4.541 4.332 4.725 . 0 0 "[ . 1 . 2]" 1
876 1 76 ALA MB 1 79 PHE QD 5.000 . 6.000 3.796 3.378 4.143 . 0 0 "[ . 1 . 2]" 1
877 1 77 ASN H 1 80 LEU MD1 5.000 . 6.000 4.515 3.967 5.195 . 0 0 "[ . 1 . 2]" 1
878 1 78 PRO HA 1 81 ALA H 4.000 . 4.750 3.565 3.463 3.704 . 0 0 "[ . 1 . 2]" 1
879 1 78 PRO HA 1 81 ALA MB 3.000 . 3.500 2.546 2.325 2.794 . 0 0 "[ . 1 . 2]" 1
880 1 78 PRO QB 1 81 ALA MB 5.000 . 6.000 3.972 3.836 4.205 . 0 0 "[ . 1 . 2]" 1
881 1 79 PHE HA 1 82 LYS H 3.000 . 3.500 3.428 3.202 3.520 0.020 13 0 "[ . 1 . 2]" 1
882 1 80 LEU HA 1 83 TYR H 3.000 . 3.500 3.507 3.414 3.534 0.034 11 0 "[ . 1 . 2]" 1
883 1 80 LEU HA 1 83 TYR HB3 4.000 . 4.750 3.463 3.234 3.595 . 0 0 "[ . 1 . 2]" 1
884 1 80 LEU HA 1 83 TYR HB2 3.000 . 3.500 3.323 3.101 3.465 . 0 0 "[ . 1 . 2]" 1
885 1 80 LEU HA 1 83 TYR QD 5.000 . 6.000 4.898 4.616 5.071 . 0 0 "[ . 1 . 2]" 1
886 1 81 ALA HA 1 84 ARG H 3.000 . 3.500 3.306 3.168 3.551 0.051 9 0 "[ . 1 . 2]" 1
887 1 82 LYS HA 1 85 ASP H 4.000 . 4.750 3.716 3.528 3.859 . 0 0 "[ . 1 . 2]" 1
888 1 82 LYS HA 1 85 ASP QB 3.000 . 3.500 3.063 2.872 3.528 0.028 1 0 "[ . 1 . 2]" 1
889 1 83 TYR HA 1 86 PHE H 3.000 . 3.500 3.118 2.987 3.260 . 0 0 "[ . 1 . 2]" 1
890 1 83 TYR HA 1 86 PHE HB3 5.000 . 6.000 2.225 1.997 2.340 . 0 0 "[ . 1 . 2]" 1
891 1 83 TYR HA 1 86 PHE HB2 4.000 . 4.750 2.931 2.669 3.448 . 0 0 "[ . 1 . 2]" 1
892 1 83 TYR HA 1 86 PHE QD 4.000 . 4.750 3.412 3.174 3.792 . 0 0 "[ . 1 . 2]" 1
893 1 83 TYR QD 1 86 PHE HB3 5.000 . 6.000 3.478 2.868 3.750 . 0 0 "[ . 1 . 2]" 1
894 1 83 TYR QD 1 86 PHE HB2 5.000 . 6.000 4.080 3.480 4.525 . 0 0 "[ . 1 . 2]" 1
895 1 83 TYR QD 1 86 PHE QD 5.000 . 6.000 3.170 2.946 3.460 . 0 0 "[ . 1 . 2]" 1
896 1 83 TYR QE 1 86 PHE HB3 5.000 . 6.000 4.444 3.960 4.722 . 0 0 "[ . 1 . 2]" 1
897 1 83 TYR QE 1 86 PHE HB2 5.000 . 6.000 5.271 4.798 5.680 . 0 0 "[ . 1 . 2]" 1
898 1 83 TYR QE 1 86 PHE QD 4.000 . 4.750 2.870 2.563 3.251 . 0 0 "[ . 1 . 2]" 1
899 1 83 TYR QE 1 86 PHE QE 3.000 . 3.500 3.466 2.957 3.529 0.029 5 0 "[ . 1 . 2]" 1
900 1 84 ARG H 1 87 LEU QB 5.000 . 6.000 4.740 4.485 4.991 . 0 0 "[ . 1 . 2]" 1
901 1 87 LEU HA 1 90 HIS H 5.000 . 6.000 3.789 3.137 4.270 . 0 0 "[ . 1 . 2]" 1
902 1 87 LEU HA 1 90 HIS HD2 5.000 . 6.000 5.092 2.321 6.002 0.002 2 0 "[ . 1 . 2]" 1
903 1 87 LEU HA 1 90 HIS QB 5.000 . 6.000 3.345 2.051 5.008 . 0 0 "[ . 1 . 2]" 1
904 1 87 LEU QD 1 90 HIS H 5.000 . 6.000 4.754 4.040 5.445 . 0 0 "[ . 1 . 2]" 1
905 1 87 LEU QD 1 90 HIS HE1 5.000 . 6.000 4.004 1.791 5.837 0.009 6 0 "[ . 1 . 2]" 1
906 1 87 LEU QD 1 90 HIS QB 5.000 . 6.000 3.973 2.703 5.559 . 0 0 "[ . 1 . 2]" 1
907 1 3 LYS HA 1 7 ASP H 4.000 . 4.750 3.962 3.766 4.237 . 0 0 "[ . 1 . 2]" 1
908 1 4 ALA HA 1 8 LEU H 4.000 . 4.750 4.226 4.154 4.284 . 0 0 "[ . 1 . 2]" 1
909 1 5 ASN HA 1 9 ILE H 4.000 . 4.750 4.322 4.106 4.455 . 0 0 "[ . 1 . 2]" 1
910 1 6 LYS HA 1 10 SER H 4.000 . 4.750 3.810 3.661 3.942 . 0 0 "[ . 1 . 2]" 1
911 1 7 ASP HA 1 11 ALA H 4.000 . 4.750 3.976 3.632 4.313 . 0 0 "[ . 1 . 2]" 1
912 1 8 LEU HA 1 12 GLY H 4.000 . 4.750 4.314 4.036 4.445 . 0 0 "[ . 1 . 2]" 1
913 1 8 LEU MD1 1 12 GLY H 5.000 . 6.000 4.957 3.656 5.815 . 0 0 "[ . 1 . 2]" 1
914 1 9 ILE HA 1 13 LEU H 4.000 . 4.750 4.115 3.883 4.452 . 0 0 "[ . 1 . 2]" 1
915 1 10 SER HA 1 14 LYS H 4.000 . 4.750 3.620 3.410 3.834 . 0 0 "[ . 1 . 2]" 1
916 1 11 ALA HA 1 15 GLU H 4.000 . 4.750 3.898 3.587 4.057 . 0 0 "[ . 1 . 2]" 1
917 1 14 LYS HA 1 18 VAL H 4.000 . 4.750 3.452 3.196 3.861 . 0 0 "[ . 1 . 2]" 1
918 1 14 LYS HA 1 18 VAL MG2 4.000 . 4.750 3.118 2.854 3.520 . 0 0 "[ . 1 . 2]" 1
919 1 15 GLU HA 1 19 LEU MD2 5.000 . 6.000 5.836 5.374 6.012 0.012 12 0 "[ . 1 . 2]" 1
920 1 16 PHE HA 1 20 LEU H 5.000 . 6.000 3.897 3.648 4.203 . 0 0 "[ . 1 . 2]" 1
921 1 16 PHE HZ 1 20 LEU MD1 5.000 . 6.000 4.473 3.546 4.891 . 0 0 "[ . 1 . 2]" 1
922 1 16 PHE HZ 1 20 LEU MD2 5.000 . 6.000 3.518 3.012 4.106 . 0 0 "[ . 1 . 2]" 1
923 1 16 PHE QD 1 20 LEU MD1 5.000 . 6.000 3.334 2.808 3.923 . 0 0 "[ . 1 . 2]" 1
924 1 16 PHE QD 1 20 LEU MD2 5.000 . 6.000 3.430 2.898 3.774 . 0 0 "[ . 1 . 2]" 1
925 1 16 PHE QE 1 20 LEU MD1 4.000 . 4.750 3.686 2.931 4.089 . 0 0 "[ . 1 . 2]" 1
926 1 16 PHE QE 1 20 LEU MD2 5.000 . 6.000 3.062 2.586 3.584 . 0 0 "[ . 1 . 2]" 1
927 1 17 SER HA 1 21 ASN H 5.000 . 6.000 4.258 4.118 4.416 . 0 0 "[ . 1 . 2]" 1
928 1 18 VAL HA 1 22 GLN H 4.000 . 4.750 3.848 3.315 4.306 . 0 0 "[ . 1 . 2]" 1
929 1 18 VAL MG1 1 22 GLN H 5.000 . 6.000 3.778 3.494 4.218 . 0 0 "[ . 1 . 2]" 1
930 1 18 VAL MG1 1 22 GLN QG 4.000 . 4.750 3.046 1.800 3.954 0.000 17 0 "[ . 1 . 2]" 1
931 1 18 VAL MG1 1 22 GLN QE 4.000 . 4.750 2.524 1.827 4.106 . 0 0 "[ . 1 . 2]" 1
932 1 18 VAL MG2 1 22 GLN QG 5.000 . 6.000 5.189 3.761 6.005 0.005 7 0 "[ . 1 . 2]" 1
933 1 19 LEU HG 1 23 GLN QE 5.000 . 6.000 4.277 2.291 6.024 0.024 14 0 "[ . 1 . 2]" 1
934 1 19 LEU MD1 1 23 GLN QB 5.000 . 6.000 4.652 3.414 5.724 . 0 0 "[ . 1 . 2]" 1
935 1 19 LEU MD1 1 23 GLN QG 5.000 . 6.000 3.521 2.194 5.261 . 0 0 "[ . 1 . 2]" 1
936 1 19 LEU MD1 1 23 GLN QE 5.000 . 6.000 3.835 1.895 6.019 0.019 14 0 "[ . 1 . 2]" 1
937 1 19 LEU MD2 1 23 GLN QB 5.000 . 6.000 5.072 3.736 5.785 . 0 0 "[ . 1 . 2]" 1
938 1 19 LEU MD2 1 23 GLN QG 5.000 . 6.000 3.842 3.012 5.311 . 0 0 "[ . 1 . 2]" 1
939 1 25 PHE HA 1 29 LEU MD1 5.000 . 6.000 5.534 2.607 6.036 0.036 14 0 "[ . 1 . 2]" 1
940 1 25 PHE HA 1 29 LEU MD2 5.000 . 6.000 3.494 2.437 4.752 . 0 0 "[ . 1 . 2]" 1
941 1 25 PHE HB3 1 29 LEU MD2 4.000 . 4.750 3.147 1.878 4.814 0.064 8 0 "[ . 1 . 2]" 1
942 1 30 VAL MG1 1 34 ASP QB 5.000 . 6.000 3.448 2.543 3.903 . 0 0 "[ . 1 . 2]" 1
943 1 30 VAL MG2 1 34 ASP QB 4.000 . 4.750 1.743 1.699 1.797 0.101 5 0 "[ . 1 . 2]" 1
944 1 32 GLU HA 1 36 VAL H 4.000 . 4.750 3.838 3.659 4.005 . 0 0 "[ . 1 . 2]" 1
945 1 32 GLU HA 1 36 VAL MG2 5.000 . 6.000 3.693 3.562 3.896 . 0 0 "[ . 1 . 2]" 1
946 1 32 GLU QB 1 36 VAL MG2 4.000 . 4.750 3.190 2.872 3.636 . 0 0 "[ . 1 . 2]" 1
947 1 35 MET HA 1 39 VAL MG2 5.000 . 6.000 3.766 3.428 3.958 . 0 0 "[ . 1 . 2]" 1
948 1 35 MET ME 1 39 VAL MG1 5.000 . 6.000 5.530 4.288 6.023 0.023 7 0 "[ . 1 . 2]" 1
949 1 35 MET ME 1 39 VAL MG2 5.000 . 6.000 3.579 2.171 4.458 . 0 0 "[ . 1 . 2]" 1
950 1 36 VAL MG1 1 40 GLU QB 3.000 . 3.500 3.317 3.072 3.533 0.033 8 0 "[ . 1 . 2]" 1
951 1 37 THR MG 1 41 ASP H 5.000 . 6.000 4.484 3.998 4.851 . 0 0 "[ . 1 . 2]" 1
952 1 37 THR MG 1 41 ASP HA 5.000 . 6.000 5.860 5.380 6.031 0.031 9 0 "[ . 1 . 2]" 1
953 1 38 VAL MG1 1 42 TRP HB3 5.000 . 6.000 4.975 4.292 5.459 . 0 0 "[ . 1 . 2]" 1
954 1 38 VAL MG1 1 42 TRP HD1 5.000 . 6.000 4.324 3.655 4.627 . 0 0 "[ . 1 . 2]" 1
955 1 38 VAL MG1 1 42 TRP HE1 5.000 . 6.000 3.602 3.181 4.019 . 0 0 "[ . 1 . 2]" 1
956 1 38 VAL MG1 1 42 TRP HE3 5.000 . 6.000 3.427 2.970 4.030 . 0 0 "[ . 1 . 2]" 1
957 1 38 VAL MG1 1 42 TRP HZ2 5.000 . 6.000 3.069 2.740 3.594 . 0 0 "[ . 1 . 2]" 1
958 1 38 VAL MG1 1 42 TRP HZ3 5.000 . 6.000 3.330 2.951 3.951 . 0 0 "[ . 1 . 2]" 1
959 1 38 VAL MG1 1 42 TRP HH2 5.000 . 6.000 3.086 2.650 3.623 . 0 0 "[ . 1 . 2]" 1
960 1 39 VAL MG1 1 43 MET H 5.000 . 6.000 3.830 3.629 4.129 . 0 0 "[ . 1 . 2]" 1
961 1 39 VAL MG1 1 43 MET ME 4.000 . 4.750 2.721 1.909 3.529 . 0 0 "[ . 1 . 2]" 1
962 1 39 VAL MG1 1 43 MET QG 5.000 . 6.000 3.772 1.956 5.091 . 0 0 "[ . 1 . 2]" 1
963 1 40 GLU QB 1 44 ASN QD 5.000 . 6.000 4.586 3.096 5.902 . 0 0 "[ . 1 . 2]" 1
964 1 40 GLU QG 1 44 ASN QD 5.000 . 6.000 4.409 2.593 6.007 0.007 15 0 "[ . 1 . 2]" 1
965 1 42 TRP HA 1 46 TYR QE 4.000 . 4.750 4.688 4.409 4.791 0.041 14 0 "[ . 1 . 2]" 1
966 1 45 PHE HA 1 49 TYR H 4.000 . 4.750 3.867 3.698 4.082 . 0 0 "[ . 1 . 2]" 1
967 1 45 PHE HZ 1 49 TYR QD 4.000 . 4.750 3.245 3.095 3.429 . 0 0 "[ . 1 . 2]" 1
968 1 45 PHE HZ 1 49 TYR QE 3.000 . 3.500 3.531 3.509 3.553 0.053 12 0 "[ . 1 . 2]" 1
969 1 45 PHE QB 1 49 TYR H 5.000 . 6.000 5.165 5.014 5.378 . 0 0 "[ . 1 . 2]" 1
970 1 45 PHE QD 1 49 TYR HB2 5.000 . 6.000 2.868 2.387 3.693 . 0 0 "[ . 1 . 2]" 1
971 1 45 PHE QD 1 49 TYR QD 5.000 . 6.000 3.933 3.304 4.265 . 0 0 "[ . 1 . 2]" 1
972 1 45 PHE QD 1 49 TYR QE 5.000 . 6.000 5.420 5.001 5.634 . 0 0 "[ . 1 . 2]" 1
973 1 45 PHE QE 1 49 TYR QD 4.000 . 4.750 2.824 1.992 3.292 . 0 0 "[ . 1 . 2]" 1
974 1 45 PHE QE 1 49 TYR QE 4.000 . 4.750 3.694 2.951 4.062 . 0 0 "[ . 1 . 2]" 1
975 1 46 TYR HA 1 50 TYR H 4.000 . 4.750 3.686 3.424 3.970 . 0 0 "[ . 1 . 2]" 1
976 1 46 TYR HA 1 50 TYR QD 4.000 . 4.750 3.656 2.796 4.435 . 0 0 "[ . 1 . 2]" 1
977 1 46 TYR QB 1 50 TYR QB 4.000 . 4.750 4.362 4.018 4.795 0.045 3 0 "[ . 1 . 2]" 1
978 1 46 TYR QB 1 50 TYR QD 3.000 . 3.500 2.808 2.174 3.550 0.050 6 0 "[ . 1 . 2]" 1
979 1 46 TYR QB 1 50 TYR QE 3.000 . 3.500 2.402 1.811 3.512 0.012 6 0 "[ . 1 . 2]" 1
980 1 46 TYR QD 1 50 TYR QB 5.000 . 6.000 5.067 4.595 5.702 . 0 0 "[ . 1 . 2]" 1
981 1 46 TYR QD 1 50 TYR QE 4.000 . 4.750 2.540 1.978 3.473 . 0 0 "[ . 1 . 2]" 1
982 1 47 ILE MG 1 51 ARG HE 4.000 . 4.750 3.645 2.138 4.748 . 0 0 "[ . 1 . 2]" 1
983 1 49 TYR QD 1 53 GLN QB 4.000 . 4.750 3.779 2.571 4.815 0.065 14 0 "[ . 1 . 2]" 1
984 1 49 TYR QD 1 53 GLN QG 4.000 . 4.750 3.326 1.930 4.747 . 0 0 "[ . 1 . 2]" 1
985 1 49 TYR QD 1 53 GLN QE 3.000 . 3.500 3.149 1.978 3.603 0.103 15 0 "[ . 1 . 2]" 1
986 1 49 TYR QE 1 53 GLN H 5.000 . 6.000 5.523 5.157 5.952 . 0 0 "[ . 1 . 2]" 1
987 1 49 TYR QE 1 53 GLN QB 4.000 . 4.750 3.582 2.522 4.494 . 0 0 "[ . 1 . 2]" 1
988 1 49 TYR QE 1 53 GLN QG 4.000 . 4.750 2.945 1.981 4.757 0.007 10 0 "[ . 1 . 2]" 1
989 1 49 TYR QE 1 53 GLN QE 3.000 . 3.500 2.278 1.826 3.049 . 0 0 "[ . 1 . 2]" 1
990 1 50 TYR QB 1 54 VAL QG 5.000 . 6.000 3.426 3.011 3.776 . 0 0 "[ . 1 . 2]" 1
991 1 57 GLU H 1 61 ARG H 5.000 . 6.000 5.321 4.497 5.990 . 0 0 "[ . 1 . 2]" 1
992 1 64 ALA HA 1 68 LEU QD 4.000 . 4.750 4.074 3.295 4.680 . 0 0 "[ . 1 . 2]" 1
993 1 64 ALA MB 1 68 LEU QD 3.000 . 3.500 3.293 2.401 3.546 0.046 7 0 "[ . 1 . 2]" 1
994 1 68 LEU QB 1 72 LEU MD1 5.000 . 6.000 3.662 2.695 4.793 . 0 0 "[ . 1 . 2]" 1
995 1 68 LEU QD 1 72 LEU H 5.000 . 6.000 4.087 3.442 4.769 . 0 0 "[ . 1 . 2]" 1
996 1 68 LEU QD 1 72 LEU HG 4.000 . 4.750 3.066 2.209 3.904 . 0 0 "[ . 1 . 2]" 1
997 1 68 LEU QD 1 72 LEU MD1 5.000 . 6.000 3.026 2.243 3.973 . 0 0 "[ . 1 . 2]" 1
998 1 68 LEU QD 1 72 LEU MD2 5.000 . 6.000 2.974 2.176 4.311 . 0 0 "[ . 1 . 2]" 1
999 1 69 ARG HA 1 73 ASN H 4.000 . 4.750 4.164 4.043 4.298 . 0 0 "[ . 1 . 2]" 1
1000 1 69 ARG QG 1 73 ASN QD 4.000 . 4.750 3.754 2.428 4.773 0.023 20 0 "[ . 1 . 2]" 1
1001 1 70 GLN QE 1 74 THR MG 5.000 . 6.000 4.689 3.195 6.005 0.005 20 0 "[ . 1 . 2]" 1
1002 1 73 ASN HA 1 77 ASN H 4.000 . 4.750 4.621 4.259 4.764 0.014 5 0 "[ . 1 . 2]" 1
1003 1 76 ALA MB 1 80 LEU H 4.000 . 4.750 4.099 3.784 4.541 . 0 0 "[ . 1 . 2]" 1
1004 1 79 PHE HA 1 83 TYR H 5.000 . 6.000 4.351 4.253 4.402 . 0 0 "[ . 1 . 2]" 1
1005 1 79 PHE HZ 1 83 TYR QD 5.000 . 6.000 4.883 4.406 5.216 . 0 0 "[ . 1 . 2]" 1
1006 1 79 PHE QD 1 83 TYR HB3 5.000 . 6.000 5.319 5.062 5.743 . 0 0 "[ . 1 . 2]" 1
1007 1 79 PHE QE 1 83 TYR QD 5.000 . 6.000 3.521 2.999 3.924 . 0 0 "[ . 1 . 2]" 1
1008 1 79 PHE QE 1 83 TYR QE 4.000 . 4.750 4.582 4.172 4.765 0.015 17 0 "[ . 1 . 2]" 1
1009 1 81 ALA HA 1 85 ASP H 4.000 . 4.750 3.927 3.582 4.228 . 0 0 "[ . 1 . 2]" 1
1010 1 83 TYR HA 1 87 LEU H 4.000 . 4.750 3.938 3.769 4.089 . 0 0 "[ . 1 . 2]" 1
1011 1 83 TYR QD 1 87 LEU HG 5.000 . 6.000 4.108 3.123 4.947 . 0 0 "[ . 1 . 2]" 1
1012 1 83 TYR QD 1 87 LEU QD 5.000 . 6.000 2.505 2.077 3.037 . 0 0 "[ . 1 . 2]" 1
1013 1 83 TYR QE 1 87 LEU HA 5.000 . 6.000 5.982 5.718 6.047 0.047 8 0 "[ . 1 . 2]" 1
1014 1 83 TYR QE 1 87 LEU HG 5.000 . 6.000 4.606 4.011 5.026 . 0 0 "[ . 1 . 2]" 1
1015 1 83 TYR QE 1 87 LEU QD 4.000 . 4.750 2.744 2.354 2.986 . 0 0 "[ . 1 . 2]" 1
1016 1 86 PHE HZ 1 90 HIS HE1 5.000 . 6.000 3.821 1.975 6.011 0.011 14 0 "[ . 1 . 2]" 1
1017 1 86 PHE QD 1 90 HIS HE1 4.000 . 4.750 4.270 2.917 4.795 0.045 16 0 "[ . 1 . 2]" 1
1018 1 86 PHE QE 1 90 HIS HE1 4.000 . 4.750 3.505 2.438 4.778 0.028 6 0 "[ . 1 . 2]" 1
1019 1 5 ASN QD 1 55 THR H 4.000 . 4.750 3.192 2.060 4.553 . 0 0 "[ . 1 . 2]" 1
1020 1 5 ASN QD 1 55 THR MG 5.000 . 6.000 4.827 2.096 6.009 0.009 5 0 "[ . 1 . 2]" 1
1021 1 5 ASN QD 1 64 ALA MB 5.000 . 6.000 4.461 1.859 6.037 0.037 9 0 "[ . 1 . 2]" 1
1022 1 8 LEU MD1 1 49 TYR QD 5.000 . 6.000 4.800 2.950 5.919 . 0 0 "[ . 1 . 2]" 1
1023 1 8 LEU MD1 1 49 TYR QE 5.000 . 6.000 3.979 2.042 5.123 . 0 0 "[ . 1 . 2]" 1
1024 1 8 LEU MD2 1 49 TYR QD 5.000 . 6.000 5.184 3.535 6.012 0.012 5 0 "[ . 1 . 2]" 1
1025 1 8 LEU MD2 1 49 TYR QE 5.000 . 6.000 4.637 3.214 5.687 . 0 0 "[ . 1 . 2]" 1
1026 1 8 LEU HA 1 50 TYR QD 5.000 . 6.000 5.523 4.779 6.007 0.007 12 0 "[ . 1 . 2]" 1
1027 1 8 LEU HA 1 50 TYR QE 4.000 . 4.750 4.540 3.410 4.794 0.044 17 0 "[ . 1 . 2]" 1
1028 1 8 LEU HG 1 50 TYR QD 4.000 . 4.750 3.538 2.747 4.839 0.089 19 0 "[ . 1 . 2]" 1
1029 1 8 LEU MD1 1 50 TYR HA 4.000 . 4.750 3.772 2.561 4.745 . 0 0 "[ . 1 . 2]" 1
1030 1 8 LEU MD1 1 50 TYR QD 4.000 . 4.750 2.883 1.779 4.061 0.021 5 0 "[ . 1 . 2]" 1
1031 1 8 LEU MD1 1 50 TYR QE 3.000 . 3.500 2.963 2.141 3.520 0.020 3 0 "[ . 1 . 2]" 1
1032 1 8 LEU MD2 1 50 TYR HA 4.000 . 4.750 3.625 2.465 4.829 0.079 5 0 "[ . 1 . 2]" 1
1033 1 8 LEU QB 1 50 TYR QD 4.000 . 4.750 4.201 3.190 4.746 . 0 0 "[ . 1 . 2]" 1
1034 1 8 LEU QB 1 50 TYR QE 4.000 . 4.750 4.311 2.514 4.821 0.071 4 0 "[ . 1 . 2]" 1
1035 1 8 LEU MD1 1 53 GLN HA 4.000 . 4.750 4.459 3.703 4.796 0.046 17 0 "[ . 1 . 2]" 1
1036 1 8 LEU MD1 1 53 GLN QB 4.000 . 4.750 2.392 1.875 3.547 . 0 0 "[ . 1 . 2]" 1
1037 1 8 LEU MD2 1 53 GLN QB 3.000 . 3.500 2.590 1.794 3.525 0.025 13 0 "[ . 1 . 2]" 1
1038 1 9 ILE HA 1 68 LEU QD 5.000 . 6.000 3.006 2.364 3.783 . 0 0 "[ . 1 . 2]" 1
1039 1 12 GLY QA 1 46 TYR QE 3.000 . 3.500 3.281 2.595 3.525 0.025 10 0 "[ . 1 . 2]" 1
1040 1 12 GLY H 1 50 TYR QE 4.000 . 4.750 3.837 3.011 4.213 . 0 0 "[ . 1 . 2]" 1
1041 1 12 GLY QA 1 50 TYR QD 4.000 . 4.750 4.646 4.339 4.823 0.073 3 0 "[ . 1 . 2]" 1
1042 1 12 GLY QA 1 50 TYR QE 3.000 . 3.500 2.877 2.292 3.100 . 0 0 "[ . 1 . 2]" 1
1043 1 13 LEU H 1 75 LEU MD1 5.000 . 6.000 5.585 5.030 5.882 . 0 0 "[ . 1 . 2]" 1
1044 1 13 LEU HB3 1 75 LEU MD1 5.000 . 6.000 4.516 4.047 4.889 . 0 0 "[ . 1 . 2]" 1
1045 1 13 LEU HB2 1 75 LEU MD1 5.000 . 6.000 5.260 4.742 5.605 . 0 0 "[ . 1 . 2]" 1
1046 1 16 PHE HZ 1 39 VAL MG1 4.000 . 4.750 2.573 2.267 3.067 . 0 0 "[ . 1 . 2]" 1
1047 1 16 PHE HZ 1 39 VAL MG2 4.000 . 4.750 4.402 4.154 4.649 . 0 0 "[ . 1 . 2]" 1
1048 1 16 PHE QE 1 39 VAL HA 4.000 . 4.750 4.030 3.769 4.276 . 0 0 "[ . 1 . 2]" 1
1049 1 16 PHE QE 1 39 VAL MG1 4.000 . 4.750 3.502 3.125 3.913 . 0 0 "[ . 1 . 2]" 1
1050 1 16 PHE QE 1 39 VAL MG2 4.000 . 4.750 4.574 4.276 4.758 0.008 11 0 "[ . 1 . 2]" 1
1051 1 16 PHE QE 1 42 TRP HB3 3.000 . 3.500 2.809 2.465 3.518 0.018 12 0 "[ . 1 . 2]" 1
1052 1 16 PHE HZ 1 43 MET H 5.000 . 6.000 4.751 4.387 4.991 . 0 0 "[ . 1 . 2]" 1
1053 1 16 PHE HZ 1 43 MET HA 4.000 . 4.750 4.696 4.300 4.777 0.027 6 0 "[ . 1 . 2]" 1
1054 1 16 PHE HZ 1 43 MET ME 4.000 . 4.750 4.480 3.851 4.768 0.018 7 0 "[ . 1 . 2]" 1
1055 1 16 PHE QE 1 43 MET H 5.000 . 6.000 4.968 4.583 5.375 . 0 0 "[ . 1 . 2]" 1
1056 1 16 PHE QE 1 43 MET HA 4.000 . 4.750 4.722 4.207 4.802 0.052 13 0 "[ . 1 . 2]" 1
1057 1 16 PHE QE 1 43 MET QG 5.000 . 6.000 4.570 3.240 5.863 . 0 0 "[ . 1 . 2]" 1
1058 1 16 PHE H 1 46 TYR QE 4.000 . 4.750 4.666 4.448 4.801 0.051 14 0 "[ . 1 . 2]" 1
1059 1 16 PHE H 1 72 LEU MD2 5.000 . 6.000 5.385 4.633 5.892 . 0 0 "[ . 1 . 2]" 1
1060 1 16 PHE HA 1 72 LEU MD2 5.000 . 6.000 5.255 4.712 5.881 . 0 0 "[ . 1 . 2]" 1
1061 1 16 PHE HB3 1 72 LEU MD2 5.000 . 6.000 4.023 3.399 4.650 . 0 0 "[ . 1 . 2]" 1
1062 1 16 PHE HB2 1 72 LEU MD2 5.000 . 6.000 3.612 3.005 4.119 . 0 0 "[ . 1 . 2]" 1
1063 1 16 PHE HZ 1 72 LEU HA 5.000 . 6.000 4.719 4.288 5.233 . 0 0 "[ . 1 . 2]" 1
1064 1 16 PHE HZ 1 72 LEU MD1 5.000 . 6.000 4.470 2.695 5.402 . 0 0 "[ . 1 . 2]" 1
1065 1 16 PHE HZ 1 72 LEU MD2 5.000 . 6.000 3.628 2.765 4.756 . 0 0 "[ . 1 . 2]" 1
1066 1 16 PHE QD 1 72 LEU HA 4.000 . 4.750 3.083 2.472 3.730 . 0 0 "[ . 1 . 2]" 1
1067 1 16 PHE QD 1 72 LEU HG 5.000 . 6.000 4.724 3.747 5.567 . 0 0 "[ . 1 . 2]" 1
1068 1 16 PHE QD 1 72 LEU MD1 5.000 . 6.000 4.504 3.252 5.307 . 0 0 "[ . 1 . 2]" 1
1069 1 16 PHE QD 1 72 LEU MD2 5.000 . 6.000 2.480 2.004 2.981 . 0 0 "[ . 1 . 2]" 1
1070 1 16 PHE QE 1 72 LEU HA 3.000 . 3.500 2.477 1.981 3.088 . 0 0 "[ . 1 . 2]" 1
1071 1 16 PHE QE 1 72 LEU MD1 5.000 . 6.000 3.912 2.412 4.711 . 0 0 "[ . 1 . 2]" 1
1072 1 16 PHE QE 1 72 LEU MD2 5.000 . 6.000 2.559 1.876 3.396 . 0 0 "[ . 1 . 2]" 1
1073 1 16 PHE QE 1 72 LEU QB 4.000 . 4.750 2.832 1.975 3.822 . 0 0 "[ . 1 . 2]" 1
1074 1 16 PHE H 1 75 LEU MD1 5.000 . 6.000 4.548 4.121 5.050 . 0 0 "[ . 1 . 2]" 1
1075 1 16 PHE HB3 1 75 LEU MD1 5.000 . 6.000 2.315 1.897 2.874 . 0 0 "[ . 1 . 2]" 1
1076 1 16 PHE HB2 1 75 LEU MD1 5.000 . 6.000 3.518 2.682 3.971 . 0 0 "[ . 1 . 2]" 1
1077 1 16 PHE HZ 1 75 LEU MD1 5.000 . 6.000 5.586 5.085 5.953 . 0 0 "[ . 1 . 2]" 1
1078 1 16 PHE QD 1 75 LEU HB3 5.000 . 6.000 2.672 2.085 3.389 . 0 0 "[ . 1 . 2]" 1
1079 1 16 PHE QD 1 75 LEU HB2 5.000 . 6.000 3.031 2.411 3.431 . 0 0 "[ . 1 . 2]" 1
1080 1 16 PHE QD 1 75 LEU HG 5.000 . 6.000 4.447 3.976 4.876 . 0 0 "[ . 1 . 2]" 1
1081 1 16 PHE QD 1 75 LEU MD1 5.000 . 6.000 2.079 1.832 2.569 . 0 0 "[ . 1 . 2]" 1
1082 1 16 PHE QD 1 75 LEU MD2 5.000 . 6.000 3.550 2.934 4.109 . 0 0 "[ . 1 . 2]" 1
1083 1 16 PHE QE 1 75 LEU HB3 3.000 . 3.500 3.004 2.420 3.434 . 0 0 "[ . 1 . 2]" 1
1084 1 16 PHE QE 1 75 LEU HB2 3.000 . 3.500 3.341 2.949 3.512 0.012 19 0 "[ . 1 . 2]" 1
1085 1 16 PHE QE 1 75 LEU MD1 5.000 . 6.000 3.786 3.346 4.073 . 0 0 "[ . 1 . 2]" 1
1086 1 16 PHE QE 1 75 LEU MD2 5.000 . 6.000 4.560 4.144 4.922 . 0 0 "[ . 1 . 2]" 1
1087 1 16 PHE HZ 1 76 ALA MB 4.000 . 4.750 3.296 2.332 3.769 . 0 0 "[ . 1 . 2]" 1
1088 1 16 PHE QE 1 76 ALA H 4.000 . 4.750 3.620 2.892 4.501 . 0 0 "[ . 1 . 2]" 1
1089 1 16 PHE QE 1 76 ALA MB 4.000 . 4.750 3.102 2.647 3.903 . 0 0 "[ . 1 . 2]" 1
1090 1 16 PHE QE 1 79 PHE HB2 5.000 . 6.000 5.799 5.251 6.032 0.032 9 0 "[ . 1 . 2]" 1
1091 1 16 PHE QE 1 79 PHE QE 4.000 . 4.750 4.765 4.530 4.798 0.048 2 0 "[ . 1 . 2]" 1
1092 1 17 SER H 1 75 LEU MD1 5.000 . 6.000 3.507 2.916 4.289 . 0 0 "[ . 1 . 2]" 1
1093 1 17 SER HA 1 75 LEU MD1 4.000 . 4.750 3.779 3.002 4.598 . 0 0 "[ . 1 . 2]" 1
1094 1 17 SER HA 1 75 LEU MD2 4.000 . 4.750 2.700 2.128 3.250 . 0 0 "[ . 1 . 2]" 1
1095 1 17 SER QB 1 75 LEU MD1 4.000 . 4.750 3.662 2.822 4.308 . 0 0 "[ . 1 . 2]" 1
1096 1 19 LEU MD1 1 35 MET ME 5.000 . 6.000 5.341 4.625 6.011 0.011 17 0 "[ . 1 . 2]" 1
1097 1 19 LEU MD1 1 38 VAL MG1 4.000 . 4.750 4.388 3.993 4.778 0.028 3 0 "[ . 1 . 2]" 1
1098 1 19 LEU MD2 1 38 VAL MG1 5.000 . 6.000 4.120 3.803 4.410 . 0 0 "[ . 1 . 2]" 1
1099 1 19 LEU MD2 1 39 VAL HA 5.000 . 6.000 4.665 4.308 5.071 . 0 0 "[ . 1 . 2]" 1
1100 1 19 LEU MD1 1 42 TRP HB3 5.000 . 6.000 5.403 4.632 5.908 . 0 0 "[ . 1 . 2]" 1
1101 1 19 LEU MD1 1 42 TRP HD1 5.000 . 6.000 5.230 4.498 5.975 . 0 0 "[ . 1 . 2]" 1
1102 1 19 LEU MD1 1 42 TRP HE1 5.000 . 6.000 3.894 3.351 4.585 . 0 0 "[ . 1 . 2]" 1
1103 1 19 LEU MD1 1 42 TRP HZ2 4.000 . 4.750 2.641 2.298 2.901 . 0 0 "[ . 1 . 2]" 1
1104 1 19 LEU MD2 1 42 TRP HA 5.000 . 6.000 5.389 5.082 5.707 . 0 0 "[ . 1 . 2]" 1
1105 1 19 LEU MD2 1 42 TRP HB3 5.000 . 6.000 3.795 3.507 4.074 . 0 0 "[ . 1 . 2]" 1
1106 1 19 LEU MD2 1 42 TRP HD1 5.000 . 6.000 4.736 4.428 5.328 . 0 0 "[ . 1 . 2]" 1
1107 1 19 LEU MD2 1 42 TRP HE1 5.000 . 6.000 4.195 3.794 5.064 . 0 0 "[ . 1 . 2]" 1
1108 1 19 LEU MD2 1 42 TRP HE3 5.000 . 6.000 2.761 2.448 3.052 . 0 0 "[ . 1 . 2]" 1
1109 1 19 LEU MD2 1 42 TRP HZ2 5.000 . 6.000 3.487 3.089 4.325 . 0 0 "[ . 1 . 2]" 1
1110 1 19 LEU MD2 1 42 TRP HZ3 5.000 . 6.000 2.536 2.050 2.936 . 0 0 "[ . 1 . 2]" 1
1111 1 19 LEU MD2 1 42 TRP HH2 5.000 . 6.000 3.126 2.781 3.511 . 0 0 "[ . 1 . 2]" 1
1112 1 19 LEU MD2 1 45 PHE QD 5.000 . 6.000 5.798 5.206 6.022 0.022 8 0 "[ . 1 . 2]" 1
1113 1 19 LEU MD2 1 45 PHE QE 5.000 . 6.000 5.275 4.602 5.827 . 0 0 "[ . 1 . 2]" 1
1114 1 19 LEU MD1 1 46 TYR QE 5.000 . 6.000 4.959 4.293 5.614 . 0 0 "[ . 1 . 2]" 1
1115 1 19 LEU MD2 1 46 TYR QD 5.000 . 6.000 5.157 4.770 5.524 . 0 0 "[ . 1 . 2]" 1
1116 1 19 LEU MD2 1 46 TYR QE 4.000 . 4.750 3.541 2.981 4.095 . 0 0 "[ . 1 . 2]" 1
1117 1 19 LEU MD1 1 79 PHE QE 5.000 . 6.000 5.371 4.489 6.014 0.014 20 0 "[ . 1 . 2]" 1
1118 1 20 LEU MD2 1 35 MET ME 5.000 . 6.000 4.878 4.267 5.741 . 0 0 "[ . 1 . 2]" 1
1119 1 20 LEU MD1 1 39 VAL MG1 5.000 . 6.000 4.940 3.805 5.550 . 0 0 "[ . 1 . 2]" 1
1120 1 20 LEU MD1 1 39 VAL MG2 5.000 . 6.000 5.486 4.291 6.017 0.017 9 0 "[ . 1 . 2]" 1
1121 1 20 LEU MD2 1 39 VAL HA 5.000 . 6.000 5.145 4.593 5.810 . 0 0 "[ . 1 . 2]" 1
1122 1 20 LEU MD2 1 39 VAL MG1 5.000 . 6.000 3.788 3.077 4.646 . 0 0 "[ . 1 . 2]" 1
1123 1 20 LEU MD2 1 39 VAL MG2 5.000 . 6.000 3.899 3.520 4.522 . 0 0 "[ . 1 . 2]" 1
1124 1 20 LEU MD1 1 42 TRP HZ3 5.000 . 6.000 5.923 5.296 6.025 0.025 9 0 "[ . 1 . 2]" 1
1125 1 20 LEU MD2 1 42 TRP HE3 4.000 . 4.750 3.902 3.449 4.287 . 0 0 "[ . 1 . 2]" 1
1126 1 20 LEU MD2 1 42 TRP HZ3 5.000 . 6.000 3.509 3.225 3.925 . 0 0 "[ . 1 . 2]" 1
1127 1 20 LEU MD2 1 42 TRP HH2 5.000 . 6.000 5.051 4.559 5.699 . 0 0 "[ . 1 . 2]" 1
1128 1 20 LEU MD1 1 75 LEU H 5.000 . 6.000 5.258 4.544 5.704 . 0 0 "[ . 1 . 2]" 1
1129 1 20 LEU MD1 1 75 LEU HA 5.000 . 6.000 3.785 3.055 4.187 . 0 0 "[ . 1 . 2]" 1
1130 1 20 LEU MD1 1 75 LEU HB3 5.000 . 6.000 2.570 1.893 3.219 . 0 0 "[ . 1 . 2]" 1
1131 1 20 LEU MD1 1 75 LEU HB2 5.000 . 6.000 4.053 3.330 4.654 . 0 0 "[ . 1 . 2]" 1
1132 1 20 LEU MD1 1 75 LEU HG 5.000 . 6.000 4.327 3.742 4.808 . 0 0 "[ . 1 . 2]" 1
1133 1 20 LEU MD1 1 75 LEU MD1 5.000 . 6.000 3.288 2.386 3.980 . 0 0 "[ . 1 . 2]" 1
1134 1 20 LEU MD1 1 75 LEU MD2 5.000 . 6.000 2.076 1.874 2.422 . 0 0 "[ . 1 . 2]" 1
1135 1 20 LEU MD2 1 75 LEU HA 5.000 . 6.000 5.576 4.224 6.012 0.012 14 0 "[ . 1 . 2]" 1
1136 1 20 LEU MD2 1 75 LEU MD1 5.000 . 6.000 4.821 4.276 5.566 . 0 0 "[ . 1 . 2]" 1
1137 1 20 LEU MD2 1 75 LEU MD2 5.000 . 6.000 4.007 3.615 4.352 . 0 0 "[ . 1 . 2]" 1
1138 1 20 LEU MD1 1 76 ALA H 5.000 . 6.000 4.456 3.606 5.047 . 0 0 "[ . 1 . 2]" 1
1139 1 20 LEU MD1 1 76 ALA HA 5.000 . 6.000 3.336 2.353 3.970 . 0 0 "[ . 1 . 2]" 1
1140 1 20 LEU MD1 1 76 ALA MB 5.000 . 6.000 4.308 3.432 4.855 . 0 0 "[ . 1 . 2]" 1
1141 1 20 LEU MD2 1 76 ALA HA 5.000 . 6.000 3.321 1.965 4.235 . 0 0 "[ . 1 . 2]" 1
1142 1 20 LEU MD2 1 76 ALA MB 5.000 . 6.000 4.082 2.930 4.885 . 0 0 "[ . 1 . 2]" 1
1143 1 20 LEU MD1 1 79 PHE H 5.000 . 6.000 3.732 3.203 4.493 . 0 0 "[ . 1 . 2]" 1
1144 1 20 LEU MD1 1 79 PHE HB3 5.000 . 6.000 3.315 2.446 4.133 . 0 0 "[ . 1 . 2]" 1
1145 1 20 LEU MD1 1 79 PHE QD 5.000 . 6.000 3.527 2.203 4.476 . 0 0 "[ . 1 . 2]" 1
1146 1 20 LEU MD1 1 79 PHE QE 5.000 . 6.000 4.973 4.066 5.943 . 0 0 "[ . 1 . 2]" 1
1147 1 20 LEU MD2 1 79 PHE H 5.000 . 6.000 4.248 2.997 5.241 . 0 0 "[ . 1 . 2]" 1
1148 1 20 LEU MD2 1 79 PHE HA 5.000 . 6.000 4.131 3.745 4.930 . 0 0 "[ . 1 . 2]" 1
1149 1 20 LEU MD2 1 79 PHE HB3 5.000 . 6.000 2.819 2.034 3.932 . 0 0 "[ . 1 . 2]" 1
1150 1 20 LEU MD2 1 79 PHE HB2 5.000 . 6.000 2.285 1.825 3.179 . 0 0 "[ . 1 . 2]" 1
1151 1 20 LEU MD2 1 79 PHE QD 5.000 . 6.000 2.142 1.881 2.568 . 0 0 "[ . 1 . 2]" 1
1152 1 20 LEU MD2 1 79 PHE QE 5.000 . 6.000 2.981 2.663 3.599 . 0 0 "[ . 1 . 2]" 1
1153 1 20 LEU QB 1 79 PHE HA 3.000 . 3.500 3.515 3.108 3.577 0.077 13 0 "[ . 1 . 2]" 1
1154 1 20 LEU QB 1 79 PHE HB2 3.000 . 3.500 2.389 1.908 3.401 . 0 0 "[ . 1 . 2]" 1
1155 1 20 LEU MD1 1 80 LEU H 5.000 . 6.000 5.248 4.552 6.009 0.009 1 0 "[ . 1 . 2]" 1
1156 1 23 GLN QG 1 35 MET ME 5.000 . 6.000 2.794 1.947 4.090 . 0 0 "[ . 1 . 2]" 1
1157 1 23 GLN QE 1 35 MET ME 5.000 . 6.000 2.864 1.780 4.707 0.020 8 0 "[ . 1 . 2]" 1
1158 1 23 GLN HA 1 42 TRP HZ2 5.000 . 6.000 6.030 6.000 6.069 0.069 6 0 "[ . 1 . 2]" 1
1159 1 23 GLN QE 1 42 TRP HZ3 5.000 . 6.000 4.043 1.902 6.027 0.027 14 0 "[ . 1 . 2]" 1
1160 1 23 GLN QG 1 79 PHE HZ 4.000 . 4.750 2.391 1.923 3.443 . 0 0 "[ . 1 . 2]" 1
1161 1 23 GLN QG 1 79 PHE QE 3.000 . 3.500 2.712 2.048 3.504 0.004 2 0 "[ . 1 . 2]" 1
1162 1 25 PHE QD 1 35 MET ME 5.000 . 6.000 5.572 3.793 6.012 0.012 17 0 "[ . 1 . 2]" 1
1163 1 25 PHE QE 1 35 MET ME 5.000 . 6.000 4.945 2.447 5.949 . 0 0 "[ . 1 . 2]" 1
1164 1 25 PHE QE 1 79 PHE QE 4.000 . 4.750 4.331 3.491 4.788 0.038 17 0 "[ . 1 . 2]" 1
1165 1 25 PHE QD 1 82 LYS QB 5.000 . 6.000 6.038 5.977 6.090 0.090 11 0 "[ . 1 . 2]" 1
1166 1 25 PHE QE 1 82 LYS QB 5.000 . 6.000 4.142 4.032 4.377 . 0 0 "[ . 1 . 2]" 1
1167 1 25 PHE HA 1 83 TYR QE 5.000 . 6.000 4.129 3.762 5.346 . 0 0 "[ . 1 . 2]" 1
1168 1 25 PHE HB3 1 83 TYR QE 4.000 . 4.750 4.537 4.005 4.790 0.040 8 0 "[ . 1 . 2]" 1
1169 1 25 PHE HB2 1 83 TYR QE 5.000 . 6.000 5.670 4.802 5.983 . 0 0 "[ . 1 . 2]" 1
1170 1 25 PHE HZ 1 83 TYR QD 5.000 . 6.000 3.943 2.588 4.615 . 0 0 "[ . 1 . 2]" 1
1171 1 25 PHE HZ 1 83 TYR QE 4.000 . 4.750 4.497 2.955 4.781 0.031 8 0 "[ . 1 . 2]" 1
1172 1 25 PHE QD 1 83 TYR HA 5.000 . 6.000 5.406 5.010 6.029 0.029 11 0 "[ . 1 . 2]" 1
1173 1 25 PHE QD 1 83 TYR QD 5.000 . 6.000 4.069 3.539 4.523 . 0 0 "[ . 1 . 2]" 1
1174 1 25 PHE QD 1 83 TYR QE 5.000 . 6.000 2.844 2.005 3.438 . 0 0 "[ . 1 . 2]" 1
1175 1 25 PHE QE 1 83 TYR HA 5.000 . 6.000 4.031 3.149 4.759 . 0 0 "[ . 1 . 2]" 1
1176 1 25 PHE QE 1 83 TYR QD 5.000 . 6.000 2.594 1.997 3.272 . 0 0 "[ . 1 . 2]" 1
1177 1 25 PHE QE 1 83 TYR QE 5.000 . 6.000 2.918 2.476 3.482 . 0 0 "[ . 1 . 2]" 1
1178 1 25 PHE HA 1 86 PHE QE 5.000 . 6.000 3.919 3.069 5.365 . 0 0 "[ . 1 . 2]" 1
1179 1 25 PHE HB3 1 86 PHE QE 3.000 . 3.500 2.787 2.001 3.496 . 0 0 "[ . 1 . 2]" 1
1180 1 25 PHE QD 1 86 PHE HB3 5.000 . 6.000 4.886 4.379 5.564 . 0 0 "[ . 1 . 2]" 1
1181 1 25 PHE QD 1 86 PHE HB2 5.000 . 6.000 4.853 4.056 5.306 . 0 0 "[ . 1 . 2]" 1
1182 1 25 PHE QD 1 86 PHE QE 3.000 . 3.500 2.456 1.944 3.512 0.012 14 0 "[ . 1 . 2]" 1
1183 1 25 PHE QE 1 86 PHE HB2 5.000 . 6.000 4.018 3.228 4.554 . 0 0 "[ . 1 . 2]" 1
1184 1 29 LEU MD1 1 83 TYR QE 5.000 . 6.000 5.278 2.734 6.021 0.021 1 0 "[ . 1 . 2]" 1
1185 1 29 LEU MD2 1 83 TYR QE 5.000 . 6.000 3.802 2.720 5.449 . 0 0 "[ . 1 . 2]" 1
1186 1 29 LEU MD1 1 86 PHE HZ 5.000 . 6.000 3.501 2.252 4.419 . 0 0 "[ . 1 . 2]" 1
1187 1 29 LEU MD1 1 86 PHE QD 5.000 . 6.000 4.395 2.371 5.551 . 0 0 "[ . 1 . 2]" 1
1188 1 29 LEU MD1 1 86 PHE QE 4.000 . 4.750 3.351 1.839 4.234 . 0 0 "[ . 1 . 2]" 1
1189 1 29 LEU MD2 1 86 PHE HZ 5.000 . 6.000 2.739 1.889 4.360 . 0 0 "[ . 1 . 2]" 1
1190 1 29 LEU MD2 1 86 PHE QD 5.000 . 6.000 3.378 2.807 4.830 . 0 0 "[ . 1 . 2]" 1
1191 1 29 LEU MD2 1 86 PHE QE 4.000 . 4.750 2.037 1.796 3.408 0.004 20 0 "[ . 1 . 2]" 1
1192 1 29 LEU MD1 1 90 HIS HD2 5.000 . 6.000 3.764 2.536 6.030 0.030 8 0 "[ . 1 . 2]" 1
1193 1 29 LEU MD1 1 90 HIS HE1 5.000 . 6.000 2.691 1.962 4.613 . 0 0 "[ . 1 . 2]" 1
1194 1 29 LEU MD2 1 90 HIS HD2 5.000 . 6.000 5.100 3.904 6.040 0.040 17 0 "[ . 1 . 2]" 1
1195 1 30 VAL HB 1 35 MET ME 5.000 . 6.000 5.174 4.398 6.001 0.001 14 0 "[ . 1 . 2]" 1
1196 1 30 VAL MG1 1 35 MET H 5.000 . 6.000 3.849 3.221 4.188 . 0 0 "[ . 1 . 2]" 1
1197 1 30 VAL MG1 1 35 MET HA 5.000 . 6.000 3.639 3.220 4.470 . 0 0 "[ . 1 . 2]" 1
1198 1 30 VAL MG1 1 35 MET ME 5.000 . 6.000 2.901 2.217 3.736 . 0 0 "[ . 1 . 2]" 1
1199 1 30 VAL MG2 1 35 MET H 5.000 . 6.000 3.068 2.705 3.726 . 0 0 "[ . 1 . 2]" 1
1200 1 30 VAL MG2 1 35 MET HA 4.000 . 4.750 3.653 2.953 4.757 0.007 17 0 "[ . 1 . 2]" 1
1201 1 30 VAL MG2 1 35 MET ME 4.000 . 4.750 4.277 3.280 4.765 0.015 7 0 "[ . 1 . 2]" 1
1202 1 30 VAL H 1 83 TYR QE 5.000 . 6.000 4.181 3.882 4.910 . 0 0 "[ . 1 . 2]" 1
1203 1 30 VAL HB 1 83 TYR QE 5.000 . 6.000 4.831 4.524 5.573 . 0 0 "[ . 1 . 2]" 1
1204 1 30 VAL MG1 1 83 TYR QE 5.000 . 6.000 2.051 1.856 2.912 . 0 0 "[ . 1 . 2]" 1
1205 1 30 VAL MG2 1 83 TYR QD 5.000 . 6.000 5.300 4.957 5.907 . 0 0 "[ . 1 . 2]" 1
1206 1 30 VAL MG2 1 83 TYR QE 5.000 . 6.000 3.735 3.399 4.411 . 0 0 "[ . 1 . 2]" 1
1207 1 31 SER HA 1 83 TYR QE 5.000 . 6.000 4.227 3.383 5.178 . 0 0 "[ . 1 . 2]" 1
1208 1 31 SER HA 1 87 LEU QD 4.000 . 4.750 2.680 1.995 3.711 . 0 0 "[ . 1 . 2]" 1
1209 1 32 GLU H 1 83 TYR QE 5.000 . 6.000 4.959 3.746 5.848 . 0 0 "[ . 1 . 2]" 1
1210 1 32 GLU HA 1 83 TYR QD 4.000 . 4.750 3.048 2.040 3.586 . 0 0 "[ . 1 . 2]" 1
1211 1 32 GLU HA 1 83 TYR QE 4.000 . 4.750 3.848 2.341 4.417 . 0 0 "[ . 1 . 2]" 1
1212 1 32 GLU QB 1 83 TYR QD 5.000 . 6.000 4.362 3.251 5.134 . 0 0 "[ . 1 . 2]" 1
1213 1 32 GLU QB 1 83 TYR QE 5.000 . 6.000 5.330 4.149 6.009 0.009 12 0 "[ . 1 . 2]" 1
1214 1 32 GLU QG 1 83 TYR QD 5.000 . 6.000 3.972 2.181 5.326 . 0 0 "[ . 1 . 2]" 1
1215 1 32 GLU QG 1 83 TYR QE 5.000 . 6.000 5.066 3.679 6.003 0.003 6 0 "[ . 1 . 2]" 1
1216 1 32 GLU H 1 87 LEU QD 5.000 . 6.000 2.694 2.141 3.484 . 0 0 "[ . 1 . 2]" 1
1217 1 32 GLU HA 1 87 LEU QD 3.000 . 3.500 3.104 2.092 3.528 0.028 11 0 "[ . 1 . 2]" 1
1218 1 32 GLU QB 1 87 LEU HG 4.000 . 4.750 3.632 2.283 4.718 . 0 0 "[ . 1 . 2]" 1
1219 1 32 GLU QB 1 87 LEU QB 4.000 . 4.750 4.062 2.719 4.799 0.049 7 0 "[ . 1 . 2]" 1
1220 1 32 GLU QB 1 87 LEU QD 3.000 . 3.500 2.862 1.889 3.527 0.027 10 0 "[ . 1 . 2]" 1
1221 1 32 GLU QG 1 87 LEU HG 3.000 . 3.500 2.923 1.853 3.529 0.029 2 0 "[ . 1 . 2]" 1
1222 1 32 GLU QG 1 87 LEU QB 4.000 . 4.750 3.441 2.462 4.221 . 0 0 "[ . 1 . 2]" 1
1223 1 32 GLU QG 1 87 LEU QD 4.000 . 4.750 2.513 1.784 3.478 0.016 12 0 "[ . 1 . 2]" 1
1224 1 35 MET ME 1 42 TRP HZ3 5.000 . 6.000 3.710 2.496 4.585 . 0 0 "[ . 1 . 2]" 1
1225 1 35 MET ME 1 42 TRP HH2 5.000 . 6.000 3.872 3.134 4.900 . 0 0 "[ . 1 . 2]" 1
1226 1 35 MET ME 1 79 PHE QD 5.000 . 6.000 4.418 3.799 4.799 . 0 0 "[ . 1 . 2]" 1
1227 1 35 MET ME 1 79 PHE QE 5.000 . 6.000 2.675 1.903 3.099 . 0 0 "[ . 1 . 2]" 1
1228 1 35 MET QG 1 79 PHE QD 4.000 . 4.750 4.585 4.184 4.782 0.032 5 0 "[ . 1 . 2]" 1
1229 1 35 MET QG 1 79 PHE QE 4.000 . 4.750 3.357 2.741 4.200 . 0 0 "[ . 1 . 2]" 1
1230 1 35 MET ME 1 80 LEU MD2 4.000 . 4.750 4.645 4.044 4.757 0.007 18 0 "[ . 1 . 2]" 1
1231 1 35 MET H 1 83 TYR QE 5.000 . 6.000 4.420 3.564 4.806 . 0 0 "[ . 1 . 2]" 1
1232 1 35 MET HA 1 83 TYR QE 5.000 . 6.000 4.846 4.403 5.272 . 0 0 "[ . 1 . 2]" 1
1233 1 35 MET ME 1 83 TYR HB3 5.000 . 6.000 4.723 3.428 6.054 0.054 14 0 "[ . 1 . 2]" 1
1234 1 35 MET ME 1 83 TYR QD 5.000 . 6.000 3.620 2.607 4.882 . 0 0 "[ . 1 . 2]" 1
1235 1 35 MET ME 1 83 TYR QE 5.000 . 6.000 3.350 2.517 4.703 . 0 0 "[ . 1 . 2]" 1
1236 1 35 MET QB 1 83 TYR QD 5.000 . 6.000 2.730 2.347 3.068 . 0 0 "[ . 1 . 2]" 1
1237 1 35 MET QB 1 83 TYR QE 5.000 . 6.000 2.703 2.012 3.137 . 0 0 "[ . 1 . 2]" 1
1238 1 35 MET QG 1 83 TYR QE 5.000 . 6.000 3.681 2.944 4.801 . 0 0 "[ . 1 . 2]" 1
1239 1 39 VAL HB 1 76 ALA MB 4.000 . 4.750 4.513 4.047 4.736 . 0 0 "[ . 1 . 2]" 1
1240 1 39 VAL MG1 1 76 ALA HA 5.000 . 6.000 3.664 3.198 3.925 . 0 0 "[ . 1 . 2]" 1
1241 1 39 VAL MG1 1 76 ALA MB 4.000 . 4.750 2.357 1.997 2.503 . 0 0 "[ . 1 . 2]" 1
1242 1 39 VAL MG2 1 76 ALA MB 5.000 . 6.000 3.856 3.437 4.184 . 0 0 "[ . 1 . 2]" 1
1243 1 39 VAL HA 1 79 PHE QE 5.000 . 6.000 4.155 3.742 4.844 . 0 0 "[ . 1 . 2]" 1
1244 1 39 VAL MG1 1 79 PHE HB2 5.000 . 6.000 5.421 4.982 5.823 . 0 0 "[ . 1 . 2]" 1
1245 1 39 VAL MG1 1 79 PHE QD 5.000 . 6.000 3.040 2.577 3.465 . 0 0 "[ . 1 . 2]" 1
1246 1 39 VAL MG1 1 79 PHE QE 5.000 . 6.000 3.577 2.997 4.380 . 0 0 "[ . 1 . 2]" 1
1247 1 39 VAL MG2 1 79 PHE QD 4.000 . 4.750 2.763 2.243 3.144 . 0 0 "[ . 1 . 2]" 1
1248 1 39 VAL MG2 1 79 PHE QE 4.000 . 4.750 2.196 1.815 3.163 . 0 0 "[ . 1 . 2]" 1
1249 1 39 VAL H 1 80 LEU MD2 4.000 . 4.750 4.710 4.241 4.783 0.033 8 0 "[ . 1 . 2]" 1
1250 1 39 VAL MG1 1 80 LEU H 5.000 . 6.000 5.022 4.681 5.329 . 0 0 "[ . 1 . 2]" 1
1251 1 39 VAL MG1 1 80 LEU MD2 4.000 . 4.750 3.159 2.870 3.500 . 0 0 "[ . 1 . 2]" 1
1252 1 42 TRP HE3 1 79 PHE QE 3.000 . 3.500 3.472 3.163 3.543 0.043 17 0 "[ . 1 . 2]" 1
1253 1 42 TRP HZ3 1 79 PHE HZ 3.000 . 3.500 3.328 3.155 3.481 . 0 0 "[ . 1 . 2]" 1
1254 1 42 TRP HZ3 1 79 PHE QE 4.000 . 4.750 2.330 1.957 3.116 . 0 0 "[ . 1 . 2]" 1
1255 1 43 MET ME 1 72 LEU MD1 5.000 . 6.000 3.959 3.110 4.560 . 0 0 "[ . 1 . 2]" 1
1256 1 43 MET ME 1 72 LEU MD2 5.000 . 6.000 4.759 3.596 6.007 0.007 19 0 "[ . 1 . 2]" 1
1257 1 43 MET QG 1 72 LEU HG 4.000 . 4.750 4.441 3.585 4.794 0.044 8 0 "[ . 1 . 2]" 1
1258 1 43 MET QG 1 72 LEU MD1 5.000 . 6.000 2.354 1.804 3.540 . 0 0 "[ . 1 . 2]" 1
1259 1 43 MET QG 1 72 LEU MD2 5.000 . 6.000 3.671 1.867 5.609 . 0 0 "[ . 1 . 2]" 1
1260 1 43 MET ME 1 73 ASN H 5.000 . 6.000 4.726 3.810 5.735 . 0 0 "[ . 1 . 2]" 1
1261 1 43 MET ME 1 73 ASN HA 4.000 . 4.750 3.623 2.942 4.524 . 0 0 "[ . 1 . 2]" 1
1262 1 43 MET ME 1 73 ASN QB 5.000 . 6.000 4.749 3.603 5.762 . 0 0 "[ . 1 . 2]" 1
1263 1 43 MET ME 1 73 ASN QD 5.000 . 6.000 4.376 2.745 6.018 0.018 10 0 "[ . 1 . 2]" 1
1264 1 43 MET ME 1 76 ALA H 5.000 . 6.000 5.184 4.748 6.027 0.027 19 0 "[ . 1 . 2]" 1
1265 1 43 MET ME 1 76 ALA MB 4.000 . 4.750 3.051 2.463 3.546 . 0 0 "[ . 1 . 2]" 1
1266 1 46 TYR QD 1 68 LEU QD 5.000 . 6.000 3.932 3.468 4.773 . 0 0 "[ . 1 . 2]" 1
1267 1 46 TYR QE 1 68 LEU QD 5.000 . 6.000 5.016 4.657 5.924 . 0 0 "[ . 1 . 2]" 1
1268 1 46 TYR QB 1 72 LEU MD1 5.000 . 6.000 2.541 2.038 3.236 . 0 0 "[ . 1 . 2]" 1
1269 1 46 TYR QB 1 72 LEU MD2 5.000 . 6.000 3.092 2.344 4.114 . 0 0 "[ . 1 . 2]" 1
1270 1 46 TYR QD 1 72 LEU MD1 5.000 . 6.000 3.201 2.424 3.786 . 0 0 "[ . 1 . 2]" 1
1271 1 46 TYR QD 1 72 LEU MD2 5.000 . 6.000 2.992 1.966 4.263 . 0 0 "[ . 1 . 2]" 1
1272 1 47 ILE MD 1 65 LEU HA 3.000 . 3.500 3.345 2.542 3.519 0.019 15 0 "[ . 1 . 2]" 1
1273 1 47 ILE MD 1 69 ARG H 3.000 . 3.500 2.709 2.125 3.007 . 0 0 "[ . 1 . 2]" 1
1274 1 47 ILE MD 1 69 ARG HA 3.000 . 3.500 2.496 1.953 3.521 0.021 7 0 "[ . 1 . 2]" 1
1275 1 47 ILE MD 1 69 ARG QD 5.000 . 6.000 3.665 2.048 5.251 . 0 0 "[ . 1 . 2]" 1
1276 1 47 ILE QG 1 69 ARG QG 4.000 . 4.750 3.495 2.120 4.767 0.017 13 0 "[ . 1 . 2]" 1
1277 1 47 ILE H 1 72 LEU MD1 5.000 . 6.000 3.616 2.932 4.579 . 0 0 "[ . 1 . 2]" 1
1278 1 47 ILE HA 1 72 LEU MD1 5.000 . 6.000 4.367 3.507 5.785 . 0 0 "[ . 1 . 2]" 1
1279 1 47 ILE MG 1 72 LEU MD1 5.000 . 6.000 4.940 4.379 6.012 0.012 7 0 "[ . 1 . 2]" 1
1280 1 47 ILE MD 1 72 LEU H 5.000 . 6.000 4.996 4.242 5.914 . 0 0 "[ . 1 . 2]" 1
1281 1 47 ILE MD 1 72 LEU HG 4.000 . 4.750 4.085 2.425 4.775 0.025 9 0 "[ . 1 . 2]" 1
1282 1 47 ILE MD 1 72 LEU MD1 5.000 . 6.000 2.955 1.833 4.890 . 0 0 "[ . 1 . 2]" 1
1283 1 47 ILE MD 1 72 LEU MD2 5.000 . 6.000 4.519 3.173 5.334 . 0 0 "[ . 1 . 2]" 1
1284 1 47 ILE QG 1 72 LEU MD1 5.000 . 6.000 3.040 2.197 4.816 . 0 0 "[ . 1 . 2]" 1
1285 1 47 ILE QG 1 72 LEU MD2 5.000 . 6.000 4.853 4.274 5.813 . 0 0 "[ . 1 . 2]" 1
1286 1 47 ILE QG 1 72 LEU QB 4.000 . 4.750 4.649 4.187 4.815 0.065 15 0 "[ . 1 . 2]" 1
1287 1 50 TYR QB 1 65 LEU MD2 4.000 . 4.750 4.333 1.891 4.757 0.007 18 0 "[ . 1 . 2]" 1
1288 1 50 TYR QE 1 65 LEU MD1 5.000 . 6.000 6.065 5.870 6.130 0.130 9 0 "[ . 1 . 2]" 1
1289 1 50 TYR H 1 68 LEU QD 4.000 . 4.750 4.434 3.379 4.809 0.059 3 0 "[ . 1 . 2]" 1
1290 1 50 TYR QB 1 68 LEU QD 4.000 . 4.750 2.723 1.924 3.469 . 0 0 "[ . 1 . 2]" 1
1291 1 50 TYR QD 1 68 LEU QB 5.000 . 6.000 3.559 2.829 4.098 . 0 0 "[ . 1 . 2]" 1
1292 1 50 TYR QE 1 68 LEU QB 4.000 . 4.750 4.508 2.817 4.821 0.071 12 0 "[ . 1 . 2]" 1
1293 1 50 TYR QE 1 68 LEU QD 4.000 . 4.750 2.272 1.820 3.157 . 0 0 "[ . 1 . 2]" 1
1294 1 51 ARG HA 1 65 LEU MD1 3.000 . 3.500 1.891 1.796 2.105 0.004 11 0 "[ . 1 . 2]" 1
1295 1 51 ARG HA 1 65 LEU MD2 3.000 . 3.500 2.406 1.901 3.256 . 0 0 "[ . 1 . 2]" 1
1296 1 51 ARG QB 1 65 LEU HB3 4.000 . 4.750 4.661 4.359 4.803 0.053 20 0 "[ . 1 . 2]" 1
1297 1 51 ARG QB 1 65 LEU MD1 3.000 . 3.500 2.794 1.887 3.549 0.049 20 0 "[ . 1 . 2]" 1
1298 1 51 ARG QG 1 65 LEU MD1 3.000 . 3.500 3.151 1.864 3.542 0.042 18 0 "[ . 1 . 2]" 1
1299 1 51 ARG QD 1 65 LEU MD1 5.000 . 6.000 4.368 3.549 5.065 . 0 0 "[ . 1 . 2]" 1
1300 1 51 ARG QD 1 65 LEU MD2 5.000 . 6.000 3.162 1.844 5.974 . 0 0 "[ . 1 . 2]" 1
1301 1 54 VAL MG1 1 61 ARG H 4.000 . 4.750 3.738 3.259 4.350 . 0 0 "[ . 1 . 2]" 1
1302 1 54 VAL MG1 1 61 ARG HA 4.000 . 4.750 2.166 1.800 2.938 0.000 11 0 "[ . 1 . 2]" 1
1303 1 54 VAL MG1 1 61 ARG HE 5.000 . 6.000 3.705 2.715 4.840 . 0 0 "[ . 1 . 2]" 1
1304 1 54 VAL MG1 1 61 ARG QD 4.000 . 4.750 2.977 1.863 3.863 . 0 0 "[ . 1 . 2]" 1
1305 1 54 VAL MG2 1 61 ARG H 4.000 . 4.750 4.702 4.255 4.843 0.093 13 0 "[ . 1 . 2]" 1
1306 1 54 VAL MG2 1 61 ARG HA 4.000 . 4.750 2.751 1.979 3.206 . 0 0 "[ . 1 . 2]" 1
1307 1 54 VAL MG2 1 61 ARG HE 4.000 . 4.750 4.292 3.480 4.841 0.091 20 0 "[ . 1 . 2]" 1
1308 1 54 VAL MG2 1 61 ARG QD 4.000 . 4.750 3.159 2.173 4.531 . 0 0 "[ . 1 . 2]" 1
1309 1 54 VAL MG1 1 64 ALA MB 4.000 . 4.750 2.802 2.169 3.668 . 0 0 "[ . 1 . 2]" 1
1310 1 54 VAL MG2 1 64 ALA MB 4.000 . 4.750 3.443 2.051 4.210 . 0 0 "[ . 1 . 2]" 1
1311 1 55 THR HA 1 61 ARG QD 5.000 . 6.000 4.367 3.707 5.225 . 0 0 "[ . 1 . 2]" 1
1312 1 56 GLY H 1 61 ARG HE 4.000 . 4.750 4.057 3.379 4.762 0.012 14 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 108
_Distance_constraint_stats_list.Viol_count 734
_Distance_constraint_stats_list.Viol_total 395.714
_Distance_constraint_stats_list.Viol_max 0.128
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0270
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.328 0.051 8 0 "[ . 1 . 2]"
1 4 ALA 0.414 0.055 2 0 "[ . 1 . 2]"
1 5 ASN 0.383 0.042 8 0 "[ . 1 . 2]"
1 6 LYS 0.064 0.023 12 0 "[ . 1 . 2]"
1 7 ASP 0.559 0.065 8 0 "[ . 1 . 2]"
1 8 LEU 1.352 0.106 8 0 "[ . 1 . 2]"
1 9 ILE 0.818 0.053 16 0 "[ . 1 . 2]"
1 10 SER 1.496 0.128 8 0 "[ . 1 . 2]"
1 11 ALA 0.323 0.065 8 0 "[ . 1 . 2]"
1 12 GLY 1.367 0.106 8 0 "[ . 1 . 2]"
1 13 LEU 1.223 0.075 14 0 "[ . 1 . 2]"
1 14 LYS 1.505 0.128 8 0 "[ . 1 . 2]"
1 15 GLU 0.380 0.058 14 0 "[ . 1 . 2]"
1 16 PHE 0.579 0.056 5 0 "[ . 1 . 2]"
1 17 SER 1.332 0.075 14 0 "[ . 1 . 2]"
1 18 VAL 0.073 0.019 7 0 "[ . 1 . 2]"
1 19 LEU 0.288 0.058 14 0 "[ . 1 . 2]"
1 20 LEU 0.150 0.050 14 0 "[ . 1 . 2]"
1 21 ASN 0.545 0.071 3 0 "[ . 1 . 2]"
1 32 GLU 0.179 0.038 10 0 "[ . 1 . 2]"
1 33 GLU 1.146 0.073 14 0 "[ . 1 . 2]"
1 34 ASP 0.174 0.025 3 0 "[ . 1 . 2]"
1 35 MET 0.017 0.017 13 0 "[ . 1 . 2]"
1 36 VAL 0.256 0.038 10 0 "[ . 1 . 2]"
1 37 THR 1.191 0.073 14 0 "[ . 1 . 2]"
1 38 VAL 0.291 0.029 19 0 "[ . 1 . 2]"
1 39 VAL 0.074 0.022 7 0 "[ . 1 . 2]"
1 40 GLU 0.309 0.070 8 0 "[ . 1 . 2]"
1 41 ASP 0.116 0.018 12 0 "[ . 1 . 2]"
1 42 TRP 0.368 0.064 16 0 "[ . 1 . 2]"
1 43 MET 0.222 0.027 8 0 "[ . 1 . 2]"
1 44 ASN 0.295 0.070 8 0 "[ . 1 . 2]"
1 45 PHE 0.289 0.054 8 0 "[ . 1 . 2]"
1 46 TYR 0.965 0.064 16 0 "[ . 1 . 2]"
1 47 ILE 1.361 0.093 2 0 "[ . 1 . 2]"
1 48 ASN 0.062 0.021 8 0 "[ . 1 . 2]"
1 49 TYR 0.218 0.054 8 0 "[ . 1 . 2]"
1 50 TYR 0.714 0.061 6 0 "[ . 1 . 2]"
1 51 ARG 1.196 0.093 2 0 "[ . 1 . 2]"
1 58 PRO 0.332 0.067 9 0 "[ . 1 . 2]"
1 59 GLN 0.885 0.079 20 0 "[ . 1 . 2]"
1 60 GLU 0.375 0.061 11 0 "[ . 1 . 2]"
1 61 ARG 0.138 0.034 4 0 "[ . 1 . 2]"
1 62 ASP 0.593 0.067 9 0 "[ . 1 . 2]"
1 63 LYS 0.965 0.079 20 0 "[ . 1 . 2]"
1 64 ALA 0.513 0.061 11 0 "[ . 1 . 2]"
1 65 LEU 0.633 0.065 12 0 "[ . 1 . 2]"
1 66 GLN 0.526 0.053 2 0 "[ . 1 . 2]"
1 67 GLU 0.207 0.038 1 0 "[ . 1 . 2]"
1 68 LEU 0.265 0.062 7 0 "[ . 1 . 2]"
1 69 ARG 0.892 0.065 12 0 "[ . 1 . 2]"
1 70 GLN 0.897 0.079 8 0 "[ . 1 . 2]"
1 71 GLU 0.168 0.038 1 0 "[ . 1 . 2]"
1 72 LEU 1.426 0.123 9 0 "[ . 1 . 2]"
1 73 ASN 0.397 0.047 12 0 "[ . 1 . 2]"
1 74 THR 0.632 0.079 8 0 "[ . 1 . 2]"
1 75 LEU 0.041 0.028 9 0 "[ . 1 . 2]"
1 76 ALA 1.298 0.123 9 0 "[ . 1 . 2]"
1 78 PRO 1.028 0.081 9 0 "[ . 1 . 2]"
1 79 PHE 0.377 0.052 17 0 "[ . 1 . 2]"
1 80 LEU 0.084 0.017 8 0 "[ . 1 . 2]"
1 81 ALA 0.026 0.012 19 0 "[ . 1 . 2]"
1 82 LYS 1.727 0.081 9 0 "[ . 1 . 2]"
1 83 TYR 0.776 0.052 17 0 "[ . 1 . 2]"
1 84 ARG 0.162 0.029 12 0 "[ . 1 . 2]"
1 85 ASP 0.219 0.048 9 0 "[ . 1 . 2]"
1 86 PHE 0.698 0.056 17 0 "[ . 1 . 2]"
1 87 LEU 0.398 0.049 5 0 "[ . 1 . 2]"
1 88 LYS 0.078 0.029 12 0 "[ . 1 . 2]"
1 89 SER 0.193 0.048 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS O 1 7 ASP H 1.950 . 2.100 1.894 1.796 2.128 0.028 13 0 "[ . 1 . 2]" 2
2 1 3 LYS O 1 7 ASP N 2.900 2.700 3.100 2.707 2.649 2.945 0.051 8 0 "[ . 1 . 2]" 2
3 1 4 ALA O 1 8 LEU H 1.950 . 2.100 2.118 2.083 2.155 0.055 2 0 "[ . 1 . 2]" 2
4 1 4 ALA O 1 8 LEU N 2.900 2.700 3.100 3.037 3.000 3.099 . 0 0 "[ . 1 . 2]" 2
5 1 5 ASN O 1 9 ILE H 1.950 . 2.100 2.112 1.998 2.142 0.042 8 0 "[ . 1 . 2]" 2
6 1 5 ASN O 1 9 ILE N 2.900 2.700 3.100 3.073 2.971 3.106 0.006 8 0 "[ . 1 . 2]" 2
7 1 6 LYS O 1 10 SER H 1.950 . 2.100 1.883 1.783 2.123 0.023 12 0 "[ . 1 . 2]" 2
8 1 6 LYS O 1 10 SER N 2.900 2.700 3.100 2.850 2.757 3.065 . 0 0 "[ . 1 . 2]" 2
9 1 7 ASP O 1 11 ALA H 1.950 . 2.100 1.951 1.786 2.161 0.061 13 0 "[ . 1 . 2]" 2
10 1 7 ASP O 1 11 ALA N 2.900 2.700 3.100 2.800 2.635 2.980 0.065 8 0 "[ . 1 . 2]" 2
11 1 8 LEU O 1 12 GLY H 1.950 . 2.100 2.146 2.077 2.206 0.106 8 0 "[ . 1 . 2]" 2
12 1 8 LEU O 1 12 GLY N 2.900 2.700 3.100 3.048 3.013 3.093 . 0 0 "[ . 1 . 2]" 2
13 1 9 ILE O 1 13 LEU H 1.950 . 2.100 1.869 1.747 2.123 0.053 16 0 "[ . 1 . 2]" 2
14 1 9 ILE O 1 13 LEU N 2.900 2.700 3.100 2.761 2.656 3.087 0.044 13 0 "[ . 1 . 2]" 2
15 1 10 SER O 1 14 LYS H 1.950 . 2.100 1.737 1.672 1.777 0.128 8 0 "[ . 1 . 2]" 2
16 1 10 SER O 1 14 LYS N 2.900 2.700 3.100 2.704 2.645 2.748 0.055 8 0 "[ . 1 . 2]" 2
17 1 11 ALA O 1 15 GLU H 1.950 . 2.100 2.061 1.931 2.122 0.022 15 0 "[ . 1 . 2]" 2
18 1 11 ALA O 1 15 GLU N 2.900 2.700 3.100 2.886 2.778 2.969 . 0 0 "[ . 1 . 2]" 2
19 1 12 GLY O 1 16 PHE H 1.950 . 2.100 1.882 1.744 2.132 0.056 5 0 "[ . 1 . 2]" 2
20 1 12 GLY O 1 16 PHE N 2.900 2.700 3.100 2.809 2.680 3.041 0.020 5 0 "[ . 1 . 2]" 2
21 1 13 LEU O 1 17 SER H 1.950 . 2.100 1.779 1.725 1.978 0.075 14 0 "[ . 1 . 2]" 2
22 1 13 LEU O 1 17 SER N 2.900 2.700 3.100 2.750 2.686 2.959 0.014 11 0 "[ . 1 . 2]" 2
23 1 14 LYS O 1 18 VAL H 1.950 . 2.100 1.920 1.781 2.105 0.019 7 0 "[ . 1 . 2]" 2
24 1 14 LYS O 1 18 VAL N 2.900 2.700 3.100 2.842 2.688 3.061 0.012 8 0 "[ . 1 . 2]" 2
25 1 15 GLU O 1 19 LEU H 1.950 . 2.100 2.104 2.033 2.158 0.058 14 0 "[ . 1 . 2]" 2
26 1 15 GLU O 1 19 LEU N 2.900 2.700 3.100 2.887 2.768 2.987 . 0 0 "[ . 1 . 2]" 2
27 1 16 PHE O 1 20 LEU H 1.950 . 2.100 1.866 1.750 2.072 0.050 14 0 "[ . 1 . 2]" 2
28 1 16 PHE O 1 20 LEU N 2.900 2.700 3.100 2.819 2.680 3.011 0.020 14 0 "[ . 1 . 2]" 2
29 1 17 SER O 1 21 ASN H 1.950 . 2.100 2.123 2.025 2.171 0.071 3 0 "[ . 1 . 2]" 2
30 1 17 SER O 1 21 ASN N 2.900 2.700 3.100 3.035 2.947 3.106 0.006 3 0 "[ . 1 . 2]" 2
31 1 32 GLU O 1 36 VAL H 1.950 . 2.100 1.812 1.762 1.903 0.038 10 0 "[ . 1 . 2]" 2
32 1 32 GLU O 1 36 VAL N 2.900 2.700 3.100 2.754 2.719 2.818 . 0 0 "[ . 1 . 2]" 2
33 1 33 GLU O 1 37 THR H 1.950 . 2.100 2.154 2.139 2.173 0.073 14 0 "[ . 1 . 2]" 2
34 1 33 GLU O 1 37 THR N 2.900 2.700 3.100 3.094 3.056 3.118 0.018 14 0 "[ . 1 . 2]" 2
35 1 34 ASP O 1 38 VAL H 1.950 . 2.100 2.086 1.920 2.125 0.025 3 0 "[ . 1 . 2]" 2
36 1 34 ASP O 1 38 VAL N 2.900 2.700 3.100 3.029 2.882 3.070 . 0 0 "[ . 1 . 2]" 2
37 1 35 MET O 1 39 VAL H 1.950 . 2.100 1.891 1.783 1.987 0.017 13 0 "[ . 1 . 2]" 2
38 1 35 MET O 1 39 VAL N 2.900 2.700 3.100 2.831 2.720 2.902 . 0 0 "[ . 1 . 2]" 2
39 1 36 VAL O 1 40 GLU H 1.950 . 2.100 1.839 1.783 2.007 0.017 16 0 "[ . 1 . 2]" 2
40 1 36 VAL O 1 40 GLU N 2.900 2.700 3.100 2.800 2.722 2.974 . 0 0 "[ . 1 . 2]" 2
41 1 37 THR O 1 41 ASP H 1.950 . 2.100 1.919 1.782 2.089 0.018 12 0 "[ . 1 . 2]" 2
42 1 37 THR O 1 41 ASP N 2.900 2.700 3.100 2.874 2.749 3.049 . 0 0 "[ . 1 . 2]" 2
43 1 38 VAL O 1 42 TRP H 1.950 . 2.100 1.998 1.825 2.129 0.029 19 0 "[ . 1 . 2]" 2
44 1 38 VAL O 1 42 TRP N 2.900 2.700 3.100 2.900 2.681 3.077 0.019 8 0 "[ . 1 . 2]" 2
45 1 39 VAL O 1 43 MET H 1.950 . 2.100 1.872 1.778 2.087 0.022 7 0 "[ . 1 . 2]" 2
46 1 39 VAL O 1 43 MET N 2.900 2.700 3.100 2.799 2.731 2.974 . 0 0 "[ . 1 . 2]" 2
47 1 40 GLU O 1 44 ASN H 1.950 . 2.100 2.052 1.798 2.170 0.070 8 0 "[ . 1 . 2]" 2
48 1 40 GLU O 1 44 ASN N 2.900 2.700 3.100 2.996 2.737 3.086 . 0 0 "[ . 1 . 2]" 2
49 1 41 ASP O 1 45 PHE H 1.950 . 2.100 1.890 1.795 2.009 0.005 3 0 "[ . 1 . 2]" 2
50 1 41 ASP O 1 45 PHE N 2.900 2.700 3.100 2.772 2.683 2.925 0.017 18 0 "[ . 1 . 2]" 2
51 1 42 TRP O 1 46 TYR H 1.950 . 2.100 2.072 1.796 2.164 0.064 16 0 "[ . 1 . 2]" 2
52 1 42 TRP O 1 46 TYR N 2.900 2.700 3.100 2.980 2.715 3.103 0.003 16 0 "[ . 1 . 2]" 2
53 1 43 MET O 1 47 ILE H 1.950 . 2.100 2.088 1.974 2.127 0.027 8 0 "[ . 1 . 2]" 2
54 1 43 MET O 1 47 ILE N 2.900 2.700 3.100 3.041 2.942 3.085 . 0 0 "[ . 1 . 2]" 2
55 1 44 ASN O 1 48 ASN H 1.950 . 2.100 2.036 1.924 2.121 0.021 8 0 "[ . 1 . 2]" 2
56 1 44 ASN O 1 48 ASN N 2.900 2.700 3.100 3.009 2.902 3.100 0.000 8 0 "[ . 1 . 2]" 2
57 1 45 PHE O 1 49 TYR H 1.950 . 2.100 1.964 1.786 2.125 0.025 1 0 "[ . 1 . 2]" 2
58 1 45 PHE O 1 49 TYR N 2.900 2.700 3.100 2.803 2.646 2.967 0.054 8 0 "[ . 1 . 2]" 2
59 1 46 TYR O 1 50 TYR H 1.950 . 2.100 1.783 1.739 1.881 0.061 7 0 "[ . 1 . 2]" 2
60 1 46 TYR O 1 50 TYR N 2.900 2.700 3.100 2.709 2.639 2.821 0.061 6 0 "[ . 1 . 2]" 2
61 1 47 ILE O 1 51 ARG H 1.950 . 2.100 2.159 2.121 2.193 0.093 2 0 "[ . 1 . 2]" 2
62 1 47 ILE O 1 51 ARG N 2.900 2.700 3.100 3.030 2.901 3.108 0.008 7 0 "[ . 1 . 2]" 2
63 1 58 PRO O 1 62 ASP H 1.950 . 2.100 2.114 2.065 2.167 0.067 9 0 "[ . 1 . 2]" 2
64 1 58 PRO O 1 62 ASP N 2.900 2.700 3.100 3.079 2.993 3.101 0.001 13 0 "[ . 1 . 2]" 2
65 1 59 GLN O 1 63 LYS H 1.950 . 2.100 2.144 2.115 2.179 0.079 20 0 "[ . 1 . 2]" 2
66 1 59 GLN O 1 63 LYS N 2.900 2.700 3.100 3.063 2.988 3.101 0.001 2 0 "[ . 1 . 2]" 2
67 1 60 GLU O 1 64 ALA H 1.950 . 2.100 2.064 1.766 2.161 0.061 11 0 "[ . 1 . 2]" 2
68 1 60 GLU O 1 64 ALA N 2.900 2.700 3.100 3.001 2.692 3.099 0.008 9 0 "[ . 1 . 2]" 2
69 1 61 ARG O 1 65 LEU H 1.950 . 2.100 1.999 1.776 2.134 0.034 4 0 "[ . 1 . 2]" 2
70 1 61 ARG O 1 65 LEU N 2.900 2.700 3.100 2.896 2.714 3.029 . 0 0 "[ . 1 . 2]" 2
71 1 62 ASP O 1 66 GLN H 1.950 . 2.100 2.050 1.826 2.153 0.053 2 0 "[ . 1 . 2]" 2
72 1 62 ASP O 1 66 GLN N 2.900 2.700 3.100 2.927 2.756 3.029 . 0 0 "[ . 1 . 2]" 2
73 1 63 LYS O 1 67 GLU H 1.950 . 2.100 1.944 1.769 2.125 0.031 9 0 "[ . 1 . 2]" 2
74 1 63 LYS O 1 67 GLU N 2.900 2.700 3.100 2.902 2.742 3.072 . 0 0 "[ . 1 . 2]" 2
75 1 64 ALA O 1 68 LEU H 1.950 . 2.100 2.082 1.965 2.129 0.029 15 0 "[ . 1 . 2]" 2
76 1 64 ALA O 1 68 LEU N 2.900 2.700 3.100 2.908 2.827 2.974 . 0 0 "[ . 1 . 2]" 2
77 1 65 LEU O 1 69 ARG H 1.950 . 2.100 2.111 1.980 2.165 0.065 12 0 "[ . 1 . 2]" 2
78 1 65 LEU O 1 69 ARG N 2.900 2.700 3.100 3.060 2.946 3.126 0.026 12 0 "[ . 1 . 2]" 2
79 1 66 GLN O 1 70 GLN H 1.950 . 2.100 2.089 1.797 2.149 0.049 1 0 "[ . 1 . 2]" 2
80 1 66 GLN O 1 70 GLN N 2.900 2.700 3.100 3.039 2.723 3.101 0.001 16 0 "[ . 1 . 2]" 2
81 1 67 GLU O 1 71 GLU H 1.950 . 2.100 1.916 1.788 2.099 0.012 7 0 "[ . 1 . 2]" 2
82 1 67 GLU O 1 71 GLU N 2.900 2.700 3.100 2.732 2.662 2.904 0.038 1 0 "[ . 1 . 2]" 2
83 1 68 LEU O 1 72 LEU H 1.950 . 2.100 1.883 1.783 2.014 0.017 1 0 "[ . 1 . 2]" 2
84 1 68 LEU O 1 72 LEU N 2.900 2.700 3.100 2.784 2.638 2.908 0.062 7 0 "[ . 1 . 2]" 2
85 1 69 ARG O 1 73 ASN H 1.950 . 2.100 2.104 1.998 2.147 0.047 12 0 "[ . 1 . 2]" 2
86 1 69 ARG O 1 73 ASN N 2.900 2.700 3.100 3.051 2.965 3.107 0.007 12 0 "[ . 1 . 2]" 2
87 1 70 GLN O 1 74 THR H 1.950 . 2.100 2.132 2.111 2.179 0.079 8 0 "[ . 1 . 2]" 2
88 1 70 GLN O 1 74 THR N 2.900 2.700 3.100 3.020 2.976 3.064 . 0 0 "[ . 1 . 2]" 2
89 1 71 GLU O 1 75 LEU H 1.950 . 2.100 1.941 1.809 2.128 0.028 9 0 "[ . 1 . 2]" 2
90 1 71 GLU O 1 75 LEU N 2.900 2.700 3.100 2.853 2.758 2.961 . 0 0 "[ . 1 . 2]" 2
91 1 72 LEU O 1 76 ALA H 1.950 . 2.100 1.761 1.677 1.794 0.123 9 0 "[ . 1 . 2]" 2
92 1 72 LEU O 1 76 ALA N 2.900 2.700 3.100 2.675 2.629 2.704 0.071 9 0 "[ . 1 . 2]" 2
93 1 78 PRO O 1 82 LYS H 1.950 . 2.100 2.150 2.133 2.181 0.081 9 0 "[ . 1 . 2]" 2
94 1 78 PRO O 1 82 LYS N 2.900 2.700 3.100 3.073 3.026 3.110 0.010 9 0 "[ . 1 . 2]" 2
95 1 79 PHE O 1 83 TYR H 1.950 . 2.100 2.116 2.048 2.152 0.052 17 0 "[ . 1 . 2]" 2
96 1 79 PHE O 1 83 TYR N 2.900 2.700 3.100 3.066 2.993 3.105 0.005 17 0 "[ . 1 . 2]" 2
97 1 80 LEU O 1 84 ARG H 1.950 . 2.100 1.929 1.795 2.117 0.017 8 0 "[ . 1 . 2]" 2
98 1 80 LEU O 1 84 ARG N 2.900 2.700 3.100 2.766 2.685 2.945 0.015 13 0 "[ . 1 . 2]" 2
99 1 81 ALA O 1 85 ASP H 1.950 . 2.100 1.940 1.789 2.112 0.012 19 0 "[ . 1 . 2]" 2
100 1 81 ALA O 1 85 ASP N 2.900 2.700 3.100 2.869 2.733 3.014 . 0 0 "[ . 1 . 2]" 2
101 1 82 LYS O 1 86 PHE H 1.950 . 2.100 2.135 2.114 2.156 0.056 17 0 "[ . 1 . 2]" 2
102 1 82 LYS O 1 86 PHE N 2.900 2.700 3.100 2.945 2.876 2.986 . 0 0 "[ . 1 . 2]" 2
103 1 83 TYR O 1 87 LEU H 1.950 . 2.100 1.932 1.806 2.001 . 0 0 "[ . 1 . 2]" 2
104 1 83 TYR O 1 87 LEU N 2.900 2.700 3.100 2.685 2.651 2.771 0.049 5 0 "[ . 1 . 2]" 2
105 1 84 ARG O 1 88 LYS H 1.950 . 2.100 2.029 1.799 2.129 0.029 12 0 "[ . 1 . 2]" 2
106 1 84 ARG O 1 88 LYS N 2.900 2.700 3.100 2.973 2.715 3.065 . 0 0 "[ . 1 . 2]" 2
107 1 85 ASP O 1 89 SER H 1.950 . 2.100 1.946 1.790 2.148 0.048 9 0 "[ . 1 . 2]" 2
108 1 85 ASP O 1 89 SER N 2.900 2.700 3.100 2.800 2.672 2.990 0.028 6 0 "[ . 1 . 2]" 2
stop_
save_
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