Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559513 | 2lw3 RC | 18602 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lw3
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 547
_Distance_constraint_stats_list.Viol_count 170
_Distance_constraint_stats_list.Viol_total 117.875
_Distance_constraint_stats_list.Viol_max 0.950
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0347
_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 MET 0.155 0.063 3 0 "[ . 1 . 2]"
1 2 HIS 0.160 0.063 3 0 "[ . 1 . 2]"
1 3 LEU 0.027 0.015 18 0 "[ . 1 . 2]"
1 4 THR 0.038 0.038 3 0 "[ . 1 . 2]"
1 5 TYR 0.080 0.024 19 0 "[ . 1 . 2]"
1 6 GLU 0.495 0.308 6 0 "[ . 1 . 2]"
1 7 ILE 0.208 0.040 13 0 "[ . 1 . 2]"
1 8 PHE 0.646 0.056 9 0 "[ . 1 . 2]"
1 9 GLY 0.020 0.009 14 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.048 0.048 17 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.014 0.014 9 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 0.018 0.013 7 0 "[ . 1 . 2]"
1 18 SER 0.062 0.023 4 0 "[ . 1 . 2]"
1 19 TYR 0.001 0.001 15 0 "[ . 1 . 2]"
1 20 PHE 0.031 0.017 8 0 "[ . 1 . 2]"
1 21 ASP 0.054 0.024 12 0 "[ . 1 . 2]"
1 22 VAL 0.012 0.006 1 0 "[ . 1 . 2]"
1 23 ASN 0.072 0.072 11 0 "[ . 1 . 2]"
1 24 SER 0.005 0.005 15 0 "[ . 1 . 2]"
1 25 GLU 0.059 0.024 12 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.002 0.002 8 0 "[ . 1 . 2]"
1 28 ARG 0.062 0.023 4 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.080 0.038 5 0 "[ . 1 . 2]"
1 34 LEU 0.310 0.050 19 0 "[ . 1 . 2]"
1 35 PRO 0.213 0.056 9 0 "[ . 1 . 2]"
1 36 TRP 0.229 0.046 9 0 "[ . 1 . 2]"
1 37 SER 0.653 0.308 6 0 "[ . 1 . 2]"
1 38 LEU 0.043 0.014 8 0 "[ . 1 . 2]"
1 39 HIS 0.007 0.007 9 0 "[ . 1 . 2]"
1 40 ILE 0.006 0.003 17 0 "[ . 1 . 2]"
1 41 THR 0.005 0.005 13 0 "[ . 1 . 2]"
1 42 THR 0.025 0.014 16 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.019 0.014 16 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.036 0.032 4 0 "[ . 1 . 2]"
1 48 MET 0.004 0.004 6 0 "[ . 1 . 2]"
1 49 GLY 0.040 0.015 18 0 "[ . 1 . 2]"
1 50 ASN 0.030 0.017 8 0 "[ . 1 . 2]"
1 51 ILE 0.074 0.035 15 0 "[ . 1 . 2]"
1 52 VAL 0.028 0.028 1 0 "[ . 1 . 2]"
1 53 ALA 0.037 0.035 15 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.016 0.014 9 0 "[ . 1 . 2]"
1 57 SER 0.011 0.011 4 0 "[ . 1 . 2]"
1 58 ASP 0.013 0.011 4 0 "[ . 1 . 2]"
1 59 SER 2.840 0.950 2 2 "[ + .- 1 . 2]"
1 60 ILE 0.119 0.029 8 0 "[ . 1 . 2]"
1 61 GLY 0.093 0.029 8 0 "[ . 1 . 2]"
1 62 CYS 0.055 0.015 10 0 "[ . 1 . 2]"
1 63 ARG 0.061 0.033 2 0 "[ . 1 . 2]"
1 64 ILE 0.047 0.024 19 0 "[ . 1 . 2]"
1 65 THR 0.015 0.008 11 0 "[ . 1 . 2]"
1 66 VAL 0.028 0.016 14 0 "[ . 1 . 2]"
1 67 ASP 0.004 0.004 14 0 "[ . 1 . 2]"
1 68 GLY 0.024 0.016 14 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.220 0.069 18 0 "[ . 1 . 2]"
1 71 ARG 0.062 0.030 9 0 "[ . 1 . 2]"
1 72 ALA 0.047 0.016 13 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.002 0.002 2 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.042 0.018 9 0 "[ . 1 . 2]"
1 77 ASN 2.911 0.950 2 2 "[ + .- 1 . 2]"
1 78 GLU 0.013 0.013 2 0 "[ . 1 . 2]"
1 79 VAL 0.319 0.075 15 0 "[ . 1 . 2]"
1 80 ASN 0.002 0.002 2 0 "[ . 1 . 2]"
1 81 ALA 0.103 0.021 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 HIS H 2.800 . 3.500 3.078 2.159 3.563 0.063 3 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 2 HIS H 5.000 . 6.000 3.356 1.864 4.026 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HG2 1 2 HIS H 5.000 . 6.000 4.747 3.236 5.938 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HG3 1 2 HIS H 5.000 . 6.000 4.583 3.060 5.869 . 0 0 "[ . 1 . 2]" 1
5 1 2 HIS H 1 2 HIS HB2 3.500 . 4.500 3.028 2.304 3.736 . 0 0 "[ . 1 . 2]" 1
6 1 2 HIS H 1 2 HIS HB3 3.500 . 4.500 3.448 2.775 3.773 . 0 0 "[ . 1 . 2]" 1
7 1 2 HIS H 1 67 ASP H 5.000 . 6.000 3.914 2.657 5.082 . 0 0 "[ . 1 . 2]" 1
8 1 2 HIS HA 1 3 LEU H 2.200 . 2.500 2.158 2.149 2.167 . 0 0 "[ . 1 . 2]" 1
9 1 2 HIS HA 1 41 THR HB 5.000 . 6.000 5.272 4.230 5.968 . 0 0 "[ . 1 . 2]" 1
10 1 2 HIS HA 1 41 THR MG 5.000 . 6.000 4.094 2.527 6.005 0.005 13 0 "[ . 1 . 2]" 1
11 1 2 HIS HB2 1 3 LEU H 5.000 . 6.000 3.864 3.295 4.571 . 0 0 "[ . 1 . 2]" 1
12 1 2 HIS HB3 1 3 LEU H 5.000 . 6.000 3.710 3.294 4.333 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 3 LEU HA 2.800 . 3.500 2.937 2.934 2.944 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU H 1 40 ILE H 5.000 . 6.000 3.730 3.285 4.259 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU H 1 40 ILE HB 5.000 . 6.000 4.498 3.332 5.293 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 4 THR H 2.200 . 2.500 2.146 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 66 VAL HA 5.000 . 6.000 3.887 3.120 4.434 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HA 1 66 VAL QG 5.000 . 6.000 3.446 2.251 4.600 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU HA 1 67 ASP H 5.000 . 6.000 5.385 4.757 5.993 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU QB 1 4 THR H 5.000 . 6.000 3.821 3.348 3.884 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU QB 1 40 ILE H 5.000 . 6.000 4.077 3.554 5.336 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU QB 1 66 VAL HA 5.000 . 6.000 4.657 3.905 5.497 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU QB 1 66 VAL QG 5.000 . 6.000 3.127 1.930 4.090 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU QD 1 4 THR H 5.000 . 6.000 2.960 2.018 3.778 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU QD 1 4 THR HA 5.000 . 6.000 3.302 2.766 4.285 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU QD 1 49 GLY H 5.000 . 6.000 3.492 2.757 4.404 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU QD 1 64 ILE MG 5.000 . 6.000 2.182 1.799 5.084 0.001 2 0 "[ . 1 . 2]" 1
28 1 3 LEU QD 1 66 VAL HA 5.000 . 6.000 4.295 3.196 5.629 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU MD1 1 49 GLY HA2 5.000 . 6.000 5.400 4.640 5.982 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU MD1 1 49 GLY HA3 5.000 . 6.000 4.598 3.814 5.462 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU MD1 1 66 VAL QG 5.000 . 6.000 3.010 1.989 4.636 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU MD2 1 49 GLY HA2 5.000 . 6.000 5.224 3.823 6.015 0.015 18 0 "[ . 1 . 2]" 1
33 1 3 LEU MD2 1 49 GLY HA3 5.000 . 6.000 4.310 2.868 5.735 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU MD2 1 66 VAL QG 5.000 . 6.000 4.050 2.386 5.508 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU HG 1 4 THR H 5.000 . 6.000 3.417 2.722 4.753 . 0 0 "[ . 1 . 2]" 1
36 1 4 THR H 1 4 THR HB 3.500 . 4.500 3.486 2.986 3.829 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR H 1 65 THR H 5.000 . 6.000 4.103 3.597 4.711 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR H 1 66 VAL HA 5.000 . 6.000 5.116 4.217 5.629 . 0 0 "[ . 1 . 2]" 1
39 1 4 THR HA 1 5 TYR H 2.200 . 2.500 2.187 2.163 2.228 . 0 0 "[ . 1 . 2]" 1
40 1 4 THR HA 1 39 HIS HA 5.000 . 6.000 3.263 2.875 3.799 . 0 0 "[ . 1 . 2]" 1
41 1 4 THR HA 1 40 ILE H 5.000 . 6.000 3.812 3.374 4.446 . 0 0 "[ . 1 . 2]" 1
42 1 4 THR HB 1 39 HIS HA 5.000 . 6.000 3.435 2.606 5.349 . 0 0 "[ . 1 . 2]" 1
43 1 4 THR MG 1 5 TYR H 5.000 . 6.000 3.989 2.521 4.315 . 0 0 "[ . 1 . 2]" 1
44 1 4 THR MG 1 37 SER HB3 5.000 . 6.000 4.713 3.927 6.038 0.038 3 0 "[ . 1 . 2]" 1
45 1 4 THR MG 1 38 LEU H 5.000 . 6.000 4.796 2.814 5.535 . 0 0 "[ . 1 . 2]" 1
46 1 4 THR MG 1 39 HIS HA 5.000 . 6.000 3.552 2.174 4.725 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR H 1 5 TYR HB3 3.500 . 4.500 3.170 2.973 3.553 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR H 1 5 TYR QD 5.000 . 6.000 2.781 1.829 4.279 . 0 0 "[ . 1 . 2]" 1
49 1 5 TYR H 1 37 SER QB 5.000 . 6.000 4.382 3.844 5.536 . 0 0 "[ . 1 . 2]" 1
50 1 5 TYR H 1 38 LEU H 5.000 . 6.000 3.064 2.789 3.377 . 0 0 "[ . 1 . 2]" 1
51 1 5 TYR HA 1 6 GLU H 2.200 . 2.500 2.273 2.251 2.286 . 0 0 "[ . 1 . 2]" 1
52 1 5 TYR HA 1 64 ILE MD 5.000 . 6.000 4.904 3.500 5.970 . 0 0 "[ . 1 . 2]" 1
53 1 5 TYR HA 1 64 ILE QG 5.000 . 6.000 4.963 3.379 5.929 . 0 0 "[ . 1 . 2]" 1
54 1 5 TYR HA 1 64 ILE MG 5.000 . 6.000 5.149 3.827 6.024 0.024 19 0 "[ . 1 . 2]" 1
55 1 5 TYR HB2 1 6 GLU H 5.000 . 6.000 3.050 2.796 4.262 . 0 0 "[ . 1 . 2]" 1
56 1 5 TYR HB2 1 38 LEU H 5.000 . 6.000 5.695 5.116 6.007 0.007 2 0 "[ . 1 . 2]" 1
57 1 5 TYR HB2 1 51 ILE MD 5.000 . 6.000 3.916 2.249 5.258 . 0 0 "[ . 1 . 2]" 1
58 1 5 TYR HB2 1 51 ILE MG 5.000 . 6.000 3.612 2.811 5.217 . 0 0 "[ . 1 . 2]" 1
59 1 5 TYR HB3 1 6 GLU H 5.000 . 6.000 3.831 3.096 4.070 . 0 0 "[ . 1 . 2]" 1
60 1 5 TYR HB3 1 38 LEU H 5.000 . 6.000 5.741 4.823 6.014 0.014 8 0 "[ . 1 . 2]" 1
61 1 5 TYR HB3 1 51 ILE MD 5.000 . 6.000 4.698 2.755 6.003 0.003 1 0 "[ . 1 . 2]" 1
62 1 5 TYR HB3 1 51 ILE MG 5.000 . 6.000 4.177 3.130 5.310 . 0 0 "[ . 1 . 2]" 1
63 1 5 TYR QD 1 6 GLU H 5.000 . 6.000 3.513 1.790 4.599 0.010 11 0 "[ . 1 . 2]" 1
64 1 6 GLU H 1 6 GLU HA 2.800 . 3.500 2.903 2.899 2.908 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLU H 1 63 ARG H 3.500 . 4.500 4.221 3.878 4.533 0.033 2 0 "[ . 1 . 2]" 1
66 1 6 GLU H 1 63 ARG QG 5.000 . 6.000 4.260 2.871 5.994 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLU HA 1 7 ILE H 2.200 . 2.500 2.216 2.166 2.302 . 0 0 "[ . 1 . 2]" 1
68 1 6 GLU HA 1 37 SER HA 5.000 . 6.000 3.230 2.835 3.779 . 0 0 "[ . 1 . 2]" 1
69 1 6 GLU HA 1 37 SER HB2 5.000 . 6.000 5.348 4.387 6.023 0.023 2 0 "[ . 1 . 2]" 1
70 1 6 GLU HA 1 37 SER HB3 5.000 . 6.000 4.790 3.730 6.308 0.308 6 0 "[ . 1 . 2]" 1
71 1 6 GLU HA 1 38 LEU H 5.000 . 6.000 4.754 4.223 5.253 . 0 0 "[ . 1 . 2]" 1
72 1 6 GLU QB 1 7 ILE H 5.000 . 6.000 3.561 3.374 3.705 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLU QB 1 36 TRP H 5.000 . 6.000 5.586 4.766 6.002 0.002 12 0 "[ . 1 . 2]" 1
74 1 6 GLU QB 1 37 SER HB2 5.000 . 6.000 3.601 2.824 4.255 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLU QB 1 37 SER HB3 5.000 . 6.000 2.966 1.718 5.022 0.082 20 0 "[ . 1 . 2]" 1
76 1 6 GLU HB2 1 37 SER HA 5.000 . 6.000 2.830 2.216 3.738 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLU HB3 1 37 SER HA 5.000 . 6.000 4.498 3.979 5.348 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLU HG2 1 36 TRP H 5.000 . 6.000 4.635 3.879 5.948 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLU HG3 1 36 TRP H 5.000 . 6.000 4.822 3.803 5.887 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE H 1 35 PRO QB 5.000 . 6.000 2.457 2.066 2.919 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE H 1 36 TRP H 5.000 . 6.000 4.348 3.934 4.940 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE HA 1 8 PHE H 2.200 . 2.500 2.427 2.215 2.540 0.040 13 0 "[ . 1 . 2]" 1
83 1 7 ILE HA 1 62 CYS HA 5.000 . 6.000 4.278 3.947 4.516 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE HB 1 8 PHE H 5.000 . 6.000 3.500 2.660 4.254 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE MD 1 61 GLY H 5.000 . 6.000 4.236 2.822 5.813 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE MD 1 62 CYS HA 5.000 . 6.000 3.351 2.340 4.984 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE MD 1 62 CYS HB2 5.000 . 6.000 4.046 2.454 5.921 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE MD 1 62 CYS HB3 5.000 . 6.000 3.866 2.622 5.869 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE MD 1 63 ARG H 5.000 . 6.000 4.589 3.575 5.971 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE QG 1 62 CYS HA 5.000 . 6.000 4.347 2.973 5.426 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE QG 1 62 CYS HB2 5.000 . 6.000 5.264 4.231 6.012 0.012 1 0 "[ . 1 . 2]" 1
92 1 7 ILE QG 1 62 CYS HB3 5.000 . 6.000 5.099 3.812 5.954 . 0 0 "[ . 1 . 2]" 1
93 1 7 ILE MG 1 8 PHE H 3.500 . 4.500 2.014 1.777 3.539 0.023 5 0 "[ . 1 . 2]" 1
94 1 7 ILE MG 1 62 CYS HA 5.000 . 6.000 4.460 3.290 5.983 . 0 0 "[ . 1 . 2]" 1
95 1 8 PHE H 1 60 ILE HG12 5.000 . 6.000 4.794 3.910 5.604 . 0 0 "[ . 1 . 2]" 1
96 1 8 PHE H 1 60 ILE HG13 5.000 . 6.000 5.001 3.094 5.886 . 0 0 "[ . 1 . 2]" 1
97 1 8 PHE H 1 60 ILE MG 5.000 . 6.000 5.031 4.191 5.980 . 0 0 "[ . 1 . 2]" 1
98 1 8 PHE H 1 61 GLY H 3.500 . 4.500 4.020 3.530 4.347 . 0 0 "[ . 1 . 2]" 1
99 1 8 PHE H 1 62 CYS HA 5.000 . 6.000 5.880 5.212 6.015 0.015 10 0 "[ . 1 . 2]" 1
100 1 8 PHE HA 1 9 GLY H 2.200 . 2.500 2.365 2.225 2.494 . 0 0 "[ . 1 . 2]" 1
101 1 8 PHE HA 1 34 LEU HA 5.000 . 6.000 5.605 4.022 6.017 0.017 17 0 "[ . 1 . 2]" 1
102 1 8 PHE HA 1 34 LEU HB2 5.000 . 6.000 5.475 4.268 5.993 . 0 0 "[ . 1 . 2]" 1
103 1 8 PHE HA 1 34 LEU HB3 5.000 . 6.000 5.896 5.643 6.047 0.047 12 0 "[ . 1 . 2]" 1
104 1 8 PHE HA 1 34 LEU QD 5.000 . 6.000 5.348 2.668 6.050 0.050 19 0 "[ . 1 . 2]" 1
105 1 8 PHE HA 1 35 PRO HA 5.000 . 6.000 5.988 5.879 6.056 0.056 9 0 "[ . 1 . 2]" 1
106 1 8 PHE QB 1 9 GLY H 3.500 . 4.500 2.689 2.190 3.296 . 0 0 "[ . 1 . 2]" 1
107 1 8 PHE HB3 1 9 GLY H 2.800 . 3.500 3.107 2.208 3.508 0.008 19 0 "[ . 1 . 2]" 1
108 1 9 GLY H 1 9 GLY HA2 2.800 . 3.500 2.819 2.641 2.892 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLY H 1 9 GLY HA3 2.800 . 3.500 2.794 2.712 2.931 . 0 0 "[ . 1 . 2]" 1
110 1 9 GLY H 1 34 LEU HB2 5.000 . 6.000 5.507 3.850 5.998 . 0 0 "[ . 1 . 2]" 1
111 1 9 GLY H 1 34 LEU HB3 5.000 . 6.000 5.444 4.716 6.009 0.009 14 0 "[ . 1 . 2]" 1
112 1 9 GLY H 1 34 LEU QD 5.000 . 6.000 5.222 2.127 5.983 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLY H 1 12 GLY HA3 2.800 . 3.500 2.930 2.897 2.949 . 0 0 "[ . 1 . 2]" 1
114 1 12 GLY QA 1 13 THR H 3.500 . 4.500 2.911 2.875 2.928 . 0 0 "[ . 1 . 2]" 1
115 1 13 THR H 1 13 THR HB 2.800 . 3.500 2.629 2.213 3.548 0.048 17 0 "[ . 1 . 2]" 1
116 1 13 THR H 1 14 VAL H 5.000 . 6.000 4.580 4.525 4.636 . 0 0 "[ . 1 . 2]" 1
117 1 13 THR H 1 33 VAL HA 5.000 . 6.000 4.871 3.882 5.943 . 0 0 "[ . 1 . 2]" 1
118 1 13 THR HA 1 14 VAL H 2.200 . 2.500 2.207 2.160 2.293 . 0 0 "[ . 1 . 2]" 1
119 1 13 THR HB 1 14 VAL H 5.000 . 6.000 3.921 3.075 4.309 . 0 0 "[ . 1 . 2]" 1
120 1 13 THR MG 1 14 VAL H 5.000 . 6.000 2.622 2.010 3.731 . 0 0 "[ . 1 . 2]" 1
121 1 13 THR MG 1 57 SER H 5.000 . 6.000 4.213 2.796 5.827 . 0 0 "[ . 1 . 2]" 1
122 1 13 THR MG 1 57 SER HB2 5.000 . 6.000 3.874 2.351 5.885 . 0 0 "[ . 1 . 2]" 1
123 1 13 THR MG 1 57 SER HB3 5.000 . 6.000 3.494 2.177 5.401 . 0 0 "[ . 1 . 2]" 1
124 1 14 VAL H 1 14 VAL HA 2.800 . 3.500 2.954 2.944 2.960 . 0 0 "[ . 1 . 2]" 1
125 1 14 VAL H 1 14 VAL HB 3.500 . 4.500 3.328 2.651 3.744 . 0 0 "[ . 1 . 2]" 1
126 1 14 VAL HA 1 15 ALA H 2.200 . 2.500 2.153 2.139 2.170 . 0 0 "[ . 1 . 2]" 1
127 1 14 VAL HA 1 32 ALA H 5.000 . 6.000 4.476 3.721 5.150 . 0 0 "[ . 1 . 2]" 1
128 1 14 VAL HA 1 33 VAL HA 5.000 . 6.000 3.770 2.928 4.320 . 0 0 "[ . 1 . 2]" 1
129 1 14 VAL HB 1 15 ALA H 5.000 . 6.000 3.759 3.207 4.269 . 0 0 "[ . 1 . 2]" 1
130 1 14 VAL HB 1 31 GLY QA 5.000 . 6.000 3.679 2.324 5.025 . 0 0 "[ . 1 . 2]" 1
131 1 14 VAL HB 1 32 ALA H 5.000 . 6.000 4.580 2.549 5.977 . 0 0 "[ . 1 . 2]" 1
132 1 14 VAL HB 1 33 VAL HA 5.000 . 6.000 5.029 3.642 5.979 . 0 0 "[ . 1 . 2]" 1
133 1 14 VAL QG 1 15 ALA H 5.000 . 6.000 3.085 2.462 3.604 . 0 0 "[ . 1 . 2]" 1
134 1 14 VAL QG 1 31 GLY HA2 5.000 . 6.000 2.652 1.895 3.631 . 0 0 "[ . 1 . 2]" 1
135 1 14 VAL QG 1 31 GLY HA3 5.000 . 6.000 3.950 3.069 4.921 . 0 0 "[ . 1 . 2]" 1
136 1 14 VAL MG1 1 31 GLY H 5.000 . 6.000 4.281 2.664 5.914 . 0 0 "[ . 1 . 2]" 1
137 1 14 VAL MG1 1 32 ALA H 5.000 . 6.000 4.297 2.768 5.846 . 0 0 "[ . 1 . 2]" 1
138 1 14 VAL MG1 1 33 VAL HA 5.000 . 6.000 3.920 2.657 5.681 . 0 0 "[ . 1 . 2]" 1
139 1 14 VAL MG2 1 31 GLY H 5.000 . 6.000 4.089 2.250 5.630 . 0 0 "[ . 1 . 2]" 1
140 1 14 VAL MG2 1 32 ALA H 5.000 . 6.000 4.498 2.645 5.897 . 0 0 "[ . 1 . 2]" 1
141 1 14 VAL MG2 1 33 VAL HA 5.000 . 6.000 4.814 2.616 5.965 . 0 0 "[ . 1 . 2]" 1
142 1 15 ALA H 1 15 ALA MB 2.800 . 3.500 2.566 2.448 2.656 . 0 0 "[ . 1 . 2]" 1
143 1 15 ALA H 1 31 GLY QA 5.000 . 6.000 5.448 5.037 5.847 . 0 0 "[ . 1 . 2]" 1
144 1 15 ALA H 1 32 ALA H 5.000 . 6.000 4.268 3.799 5.001 . 0 0 "[ . 1 . 2]" 1
145 1 15 ALA H 1 32 ALA MB 5.000 . 6.000 3.688 2.691 4.771 . 0 0 "[ . 1 . 2]" 1
146 1 15 ALA H 1 33 VAL HA 5.000 . 6.000 5.381 4.408 5.960 . 0 0 "[ . 1 . 2]" 1
147 1 15 ALA HA 1 16 ASP H 2.200 . 2.500 2.295 2.210 2.331 . 0 0 "[ . 1 . 2]" 1
148 1 15 ALA HA 1 55 GLY HA2 5.000 . 6.000 3.688 3.090 4.522 . 0 0 "[ . 1 . 2]" 1
149 1 15 ALA HA 1 55 GLY HA3 5.000 . 6.000 3.503 2.304 4.483 . 0 0 "[ . 1 . 2]" 1
150 1 15 ALA HA 1 56 ASN H 5.000 . 6.000 5.175 4.293 6.014 0.014 9 0 "[ . 1 . 2]" 1
151 1 15 ALA MB 1 16 ASP H 5.000 . 6.000 2.697 2.567 2.907 . 0 0 "[ . 1 . 2]" 1
152 1 15 ALA MB 1 55 GLY HA2 5.000 . 6.000 3.526 2.871 4.166 . 0 0 "[ . 1 . 2]" 1
153 1 15 ALA MB 1 55 GLY HA3 5.000 . 6.000 2.515 2.159 3.097 . 0 0 "[ . 1 . 2]" 1
154 1 16 ASP H 1 16 ASP HB2 3.500 . 4.500 2.963 2.199 3.654 . 0 0 "[ . 1 . 2]" 1
155 1 16 ASP H 1 16 ASP HB3 3.500 . 4.500 3.257 2.365 3.672 . 0 0 "[ . 1 . 2]" 1
156 1 16 ASP H 1 54 GLN QB 5.000 . 6.000 4.427 2.822 5.756 . 0 0 "[ . 1 . 2]" 1
157 1 16 ASP H 1 55 GLY QA 5.000 . 6.000 4.256 3.333 4.954 . 0 0 "[ . 1 . 2]" 1
158 1 16 ASP HA 1 17 ILE H 2.200 . 2.500 2.151 2.144 2.160 . 0 0 "[ . 1 . 2]" 1
159 1 16 ASP HA 1 30 ASP HA 5.000 . 6.000 3.892 2.888 4.621 . 0 0 "[ . 1 . 2]" 1
160 1 16 ASP HA 1 31 GLY H 5.000 . 6.000 5.002 4.096 5.621 . 0 0 "[ . 1 . 2]" 1
161 1 16 ASP HA 1 32 ALA H 5.000 . 6.000 5.282 4.653 5.986 . 0 0 "[ . 1 . 2]" 1
162 1 16 ASP HB2 1 17 ILE H 5.000 . 6.000 4.004 3.326 4.584 . 0 0 "[ . 1 . 2]" 1
163 1 16 ASP HB3 1 17 ILE H 5.000 . 6.000 3.877 3.450 4.431 . 0 0 "[ . 1 . 2]" 1
164 1 17 ILE H 1 17 ILE HB 3.500 . 4.500 2.488 2.204 3.412 . 0 0 "[ . 1 . 2]" 1
165 1 17 ILE H 1 17 ILE MD 5.000 . 6.000 3.028 1.787 4.385 0.013 7 0 "[ . 1 . 2]" 1
166 1 17 ILE H 1 17 ILE HG12 5.000 . 6.000 3.959 2.377 4.547 . 0 0 "[ . 1 . 2]" 1
167 1 17 ILE H 1 17 ILE HG13 5.000 . 6.000 3.341 1.845 4.571 . 0 0 "[ . 1 . 2]" 1
168 1 17 ILE H 1 28 ARG HA 5.000 . 6.000 4.333 3.406 5.016 . 0 0 "[ . 1 . 2]" 1
169 1 17 ILE H 1 28 ARG QB 5.000 . 6.000 5.055 4.312 5.945 . 0 0 "[ . 1 . 2]" 1
170 1 17 ILE H 1 29 VAL H 5.000 . 6.000 3.131 2.487 3.922 . 0 0 "[ . 1 . 2]" 1
171 1 17 ILE H 1 29 VAL QG 5.000 . 6.000 2.725 1.809 4.786 . 0 0 "[ . 1 . 2]" 1
172 1 17 ILE H 1 30 ASP HA 5.000 . 6.000 5.259 4.133 5.803 . 0 0 "[ . 1 . 2]" 1
173 1 17 ILE HA 1 18 SER H 2.200 . 2.500 2.147 2.127 2.186 . 0 0 "[ . 1 . 2]" 1
174 1 17 ILE HA 1 53 ALA HA 5.000 . 6.000 3.722 2.818 4.306 . 0 0 "[ . 1 . 2]" 1
175 1 17 ILE HA 1 53 ALA MB 5.000 . 6.000 3.899 2.757 4.549 . 0 0 "[ . 1 . 2]" 1
176 1 17 ILE HA 1 54 GLN H 5.000 . 6.000 5.107 4.360 5.903 . 0 0 "[ . 1 . 2]" 1
177 1 17 ILE MD 1 53 ALA HA 5.000 . 6.000 5.086 2.825 6.000 . 0 0 "[ . 1 . 2]" 1
178 1 17 ILE QG 1 53 ALA HA 5.000 . 6.000 4.359 3.749 5.381 . 0 0 "[ . 1 . 2]" 1
179 1 17 ILE MG 1 18 SER H 5.000 . 6.000 2.581 2.202 3.830 . 0 0 "[ . 1 . 2]" 1
180 1 17 ILE MG 1 18 SER HA 5.000 . 6.000 3.571 3.288 5.030 . 0 0 "[ . 1 . 2]" 1
181 1 17 ILE MG 1 27 GLN QG 5.000 . 6.000 5.538 4.435 5.999 . 0 0 "[ . 1 . 2]" 1
182 1 17 ILE MG 1 51 ILE HA 5.000 . 6.000 4.876 4.019 6.005 0.005 18 0 "[ . 1 . 2]" 1
183 1 17 ILE MG 1 51 ILE MD 5.000 . 6.000 2.296 1.824 4.684 . 0 0 "[ . 1 . 2]" 1
184 1 17 ILE MG 1 51 ILE MG 5.000 . 6.000 4.430 3.640 5.176 . 0 0 "[ . 1 . 2]" 1
185 1 17 ILE MG 1 52 VAL H 5.000 . 6.000 4.541 3.853 5.550 . 0 0 "[ . 1 . 2]" 1
186 1 17 ILE MG 1 53 ALA HA 5.000 . 6.000 5.041 3.210 5.912 . 0 0 "[ . 1 . 2]" 1
187 1 18 SER H 1 18 SER QB 3.500 . 4.500 2.624 2.472 2.667 . 0 0 "[ . 1 . 2]" 1
188 1 18 SER H 1 52 VAL QG 5.000 . 6.000 4.788 2.685 5.491 . 0 0 "[ . 1 . 2]" 1
189 1 18 SER H 1 53 ALA HA 5.000 . 6.000 4.587 3.958 5.332 . 0 0 "[ . 1 . 2]" 1
190 1 18 SER HA 1 19 TYR H 2.200 . 2.500 2.124 2.111 2.152 . 0 0 "[ . 1 . 2]" 1
191 1 18 SER HA 1 27 GLN H 5.000 . 6.000 4.834 3.820 5.425 . 0 0 "[ . 1 . 2]" 1
192 1 18 SER HA 1 28 ARG HA 5.000 . 6.000 3.581 2.464 4.116 . 0 0 "[ . 1 . 2]" 1
193 1 18 SER HA 1 28 ARG HB2 5.000 . 6.000 5.273 3.017 6.020 0.020 6 0 "[ . 1 . 2]" 1
194 1 18 SER HA 1 28 ARG HB3 5.000 . 6.000 4.994 4.073 5.931 . 0 0 "[ . 1 . 2]" 1
195 1 18 SER HA 1 28 ARG HD2 5.000 . 6.000 4.996 4.056 6.023 0.023 4 0 "[ . 1 . 2]" 1
196 1 18 SER HA 1 28 ARG HD3 5.000 . 6.000 5.066 4.044 5.830 . 0 0 "[ . 1 . 2]" 1
197 1 18 SER HA 1 28 ARG HG2 5.000 . 6.000 3.576 2.219 5.570 . 0 0 "[ . 1 . 2]" 1
198 1 18 SER HA 1 28 ARG HG3 5.000 . 6.000 4.017 2.608 5.682 . 0 0 "[ . 1 . 2]" 1
199 1 18 SER HA 1 29 VAL H 5.000 . 6.000 5.075 3.861 5.656 . 0 0 "[ . 1 . 2]" 1
200 1 18 SER QB 1 19 TYR H 5.000 . 6.000 3.868 3.763 3.923 . 0 0 "[ . 1 . 2]" 1
201 1 18 SER QB 1 28 ARG HA 5.000 . 6.000 4.422 3.611 5.136 . 0 0 "[ . 1 . 2]" 1
202 1 18 SER QB 1 52 VAL QG 5.000 . 6.000 4.501 2.105 5.506 . 0 0 "[ . 1 . 2]" 1
203 1 19 TYR H 1 28 ARG HA 5.000 . 6.000 4.889 3.794 5.428 . 0 0 "[ . 1 . 2]" 1
204 1 19 TYR HA 1 20 PHE H 2.200 . 2.500 2.376 2.245 2.486 . 0 0 "[ . 1 . 2]" 1
205 1 19 TYR HA 1 51 ILE HA 5.000 . 6.000 3.709 3.342 4.098 . 0 0 "[ . 1 . 2]" 1
206 1 19 TYR HA 1 51 ILE HB 5.000 . 6.000 4.455 3.830 4.983 . 0 0 "[ . 1 . 2]" 1
207 1 19 TYR HA 1 51 ILE MD 5.000 . 6.000 4.788 3.673 6.001 0.001 15 0 "[ . 1 . 2]" 1
208 1 19 TYR HA 1 51 ILE MG 5.000 . 6.000 5.456 3.062 5.992 . 0 0 "[ . 1 . 2]" 1
209 1 19 TYR HA 1 52 VAL H 5.000 . 6.000 4.889 4.171 5.572 . 0 0 "[ . 1 . 2]" 1
210 1 19 TYR QB 1 51 ILE HB 5.000 . 6.000 2.932 2.113 3.828 . 0 0 "[ . 1 . 2]" 1
211 1 19 TYR HB2 1 20 PHE H 5.000 . 6.000 3.143 2.296 3.892 . 0 0 "[ . 1 . 2]" 1
212 1 19 TYR HB2 1 51 ILE HA 5.000 . 6.000 3.876 3.277 4.488 . 0 0 "[ . 1 . 2]" 1
213 1 19 TYR HB2 1 51 ILE MD 5.000 . 6.000 3.482 2.174 5.214 . 0 0 "[ . 1 . 2]" 1
214 1 19 TYR HB2 1 51 ILE MG 5.000 . 6.000 4.482 2.331 5.300 . 0 0 "[ . 1 . 2]" 1
215 1 19 TYR HB3 1 20 PHE H 5.000 . 6.000 3.846 3.613 4.115 . 0 0 "[ . 1 . 2]" 1
216 1 19 TYR HB3 1 51 ILE HA 5.000 . 6.000 4.468 2.867 5.868 . 0 0 "[ . 1 . 2]" 1
217 1 19 TYR HB3 1 51 ILE MD 5.000 . 6.000 3.505 2.173 4.778 . 0 0 "[ . 1 . 2]" 1
218 1 19 TYR HB3 1 51 ILE MG 5.000 . 6.000 4.957 2.268 6.000 . 0 0 "[ . 1 . 2]" 1
219 1 20 PHE H 1 20 PHE HB2 3.500 . 4.500 2.566 2.159 3.598 . 0 0 "[ . 1 . 2]" 1
220 1 20 PHE HA 1 21 ASP H 2.200 . 2.500 2.166 2.145 2.194 . 0 0 "[ . 1 . 2]" 1
221 1 20 PHE HA 1 26 PRO HA 5.000 . 6.000 3.379 2.771 4.375 . 0 0 "[ . 1 . 2]" 1
222 1 20 PHE HA 1 26 PRO QB 5.000 . 6.000 2.789 2.167 3.757 . 0 0 "[ . 1 . 2]" 1
223 1 20 PHE HA 1 26 PRO HG2 5.000 . 6.000 5.216 4.273 5.853 . 0 0 "[ . 1 . 2]" 1
224 1 20 PHE HA 1 26 PRO HG3 5.000 . 6.000 3.968 2.687 5.103 . 0 0 "[ . 1 . 2]" 1
225 1 20 PHE HA 1 27 GLN H 5.000 . 6.000 4.930 3.986 6.002 0.002 8 0 "[ . 1 . 2]" 1
226 1 20 PHE QB 1 22 VAL HA 5.000 . 6.000 5.579 5.058 5.997 . 0 0 "[ . 1 . 2]" 1
227 1 20 PHE QB 1 50 ASN H 5.000 . 6.000 4.677 3.768 5.263 . 0 0 "[ . 1 . 2]" 1
228 1 20 PHE HB2 1 21 ASP H 5.000 . 6.000 4.287 3.392 4.516 . 0 0 "[ . 1 . 2]" 1
229 1 20 PHE HB2 1 50 ASN QB 5.000 . 6.000 5.430 3.999 6.017 0.017 8 0 "[ . 1 . 2]" 1
230 1 20 PHE HB3 1 21 ASP H 5.000 . 6.000 4.009 3.548 4.419 . 0 0 "[ . 1 . 2]" 1
231 1 20 PHE HB3 1 50 ASN QB 5.000 . 6.000 5.671 4.147 6.009 0.009 17 0 "[ . 1 . 2]" 1
232 1 21 ASP H 1 23 ASN H 5.000 . 6.000 4.984 4.354 5.438 . 0 0 "[ . 1 . 2]" 1
233 1 21 ASP H 1 25 GLU H 5.000 . 6.000 4.352 2.593 5.957 . 0 0 "[ . 1 . 2]" 1
234 1 21 ASP H 1 25 GLU QB 5.000 . 6.000 5.453 4.688 6.009 0.009 6 0 "[ . 1 . 2]" 1
235 1 21 ASP H 1 25 GLU QG 5.000 . 6.000 5.663 4.862 6.024 0.024 12 0 "[ . 1 . 2]" 1
236 1 21 ASP H 1 26 PRO HA 5.000 . 6.000 2.841 1.987 3.531 . 0 0 "[ . 1 . 2]" 1
237 1 21 ASP HA 1 22 VAL H 3.500 . 4.500 2.234 2.146 2.334 . 0 0 "[ . 1 . 2]" 1
238 1 21 ASP QB 1 22 VAL H 5.000 . 6.000 3.400 2.726 3.885 . 0 0 "[ . 1 . 2]" 1
239 1 22 VAL H 1 22 VAL HB 2.800 . 3.500 2.420 2.212 2.614 . 0 0 "[ . 1 . 2]" 1
240 1 22 VAL HA 1 23 ASN H 5.000 . 6.000 3.452 3.319 3.536 . 0 0 "[ . 1 . 2]" 1
241 1 22 VAL HA 1 40 ILE MG 5.000 . 6.000 4.822 4.399 5.317 . 0 0 "[ . 1 . 2]" 1
242 1 22 VAL HA 1 42 THR MG 5.000 . 6.000 5.516 4.646 6.006 0.006 1 0 "[ . 1 . 2]" 1
243 1 22 VAL HB 1 23 ASN H 5.000 . 6.000 3.618 2.729 4.123 . 0 0 "[ . 1 . 2]" 1
244 1 22 VAL HB 1 40 ILE HA 5.000 . 6.000 5.754 4.881 6.003 0.003 17 0 "[ . 1 . 2]" 1
245 1 22 VAL HB 1 40 ILE MG 5.000 . 6.000 2.859 2.384 3.972 . 0 0 "[ . 1 . 2]" 1
246 1 22 VAL QG 1 23 ASN H 5.000 . 6.000 2.640 1.835 3.611 . 0 0 "[ . 1 . 2]" 1
247 1 22 VAL QG 1 40 ILE HA 5.000 . 6.000 4.792 3.732 5.729 . 0 0 "[ . 1 . 2]" 1
248 1 22 VAL QG 1 40 ILE MG 5.000 . 6.000 2.623 2.023 3.578 . 0 0 "[ . 1 . 2]" 1
249 1 23 ASN H 1 23 ASN HA 2.800 . 3.500 2.907 2.876 2.936 . 0 0 "[ . 1 . 2]" 1
250 1 23 ASN H 1 23 ASN HB2 2.800 . 3.500 2.424 2.153 3.572 0.072 11 0 "[ . 1 . 2]" 1
251 1 23 ASN H 1 24 SER H 5.000 . 6.000 2.481 2.247 2.690 . 0 0 "[ . 1 . 2]" 1
252 1 23 ASN H 1 25 GLU H 5.000 . 6.000 4.499 3.128 6.000 0.000 4 0 "[ . 1 . 2]" 1
253 1 23 ASN HA 1 24 SER H 5.000 . 6.000 3.275 3.151 3.452 . 0 0 "[ . 1 . 2]" 1
254 1 24 SER H 1 24 SER QB 3.500 . 4.500 3.229 2.942 3.536 . 0 0 "[ . 1 . 2]" 1
255 1 24 SER H 1 25 GLU H 5.000 . 6.000 3.137 2.239 3.951 . 0 0 "[ . 1 . 2]" 1
256 1 24 SER QB 1 25 GLU H 5.000 . 6.000 3.142 1.795 4.067 0.005 15 0 "[ . 1 . 2]" 1
257 1 25 GLU HA 1 26 PRO QB 5.000 . 6.000 4.677 4.562 4.808 . 0 0 "[ . 1 . 2]" 1
258 1 25 GLU HA 1 26 PRO HD2 5.000 . 6.000 2.282 2.166 2.443 . 0 0 "[ . 1 . 2]" 1
259 1 25 GLU HA 1 26 PRO HD3 5.000 . 6.000 2.319 2.185 2.666 . 0 0 "[ . 1 . 2]" 1
260 1 25 GLU HA 1 26 PRO HG2 5.000 . 6.000 4.442 4.365 4.580 . 0 0 "[ . 1 . 2]" 1
261 1 25 GLU HA 1 26 PRO HG3 5.000 . 6.000 4.452 4.374 4.645 . 0 0 "[ . 1 . 2]" 1
262 1 26 PRO HA 1 27 GLN H 2.200 . 2.500 2.218 2.192 2.306 . 0 0 "[ . 1 . 2]" 1
263 1 26 PRO QB 1 27 GLN H 5.000 . 6.000 3.105 2.844 3.163 . 0 0 "[ . 1 . 2]" 1
264 1 27 GLN H 1 27 GLN HB2 3.500 . 4.500 2.915 2.196 3.716 . 0 0 "[ . 1 . 2]" 1
265 1 27 GLN H 1 27 GLN HB3 3.500 . 4.500 2.928 2.526 3.687 . 0 0 "[ . 1 . 2]" 1
266 1 27 GLN HA 1 28 ARG H 2.200 . 2.500 2.255 2.165 2.358 . 0 0 "[ . 1 . 2]" 1
267 1 27 GLN QB 1 28 ARG H 5.000 . 6.000 3.209 2.542 3.670 . 0 0 "[ . 1 . 2]" 1
268 1 28 ARG H 1 28 ARG HB2 3.500 . 4.500 2.875 2.576 3.494 . 0 0 "[ . 1 . 2]" 1
269 1 28 ARG H 1 28 ARG HB3 3.500 . 4.500 3.625 2.679 3.910 . 0 0 "[ . 1 . 2]" 1
270 1 28 ARG HA 1 29 VAL H 2.200 . 2.500 2.165 2.147 2.188 . 0 0 "[ . 1 . 2]" 1
271 1 28 ARG QB 1 29 VAL H 5.000 . 6.000 3.283 3.039 3.715 . 0 0 "[ . 1 . 2]" 1
272 1 28 ARG QG 1 29 VAL H 5.000 . 6.000 3.742 2.324 4.554 . 0 0 "[ . 1 . 2]" 1
273 1 29 VAL H 1 30 ASP H 5.000 . 6.000 4.386 4.257 4.518 . 0 0 "[ . 1 . 2]" 1
274 1 29 VAL HA 1 30 ASP H 2.200 . 2.500 2.162 2.139 2.193 . 0 0 "[ . 1 . 2]" 1
275 1 29 VAL HB 1 30 ASP H 5.000 . 6.000 3.564 3.106 4.376 . 0 0 "[ . 1 . 2]" 1
276 1 29 VAL MG1 1 30 ASP H 5.000 . 6.000 3.639 2.677 4.167 . 0 0 "[ . 1 . 2]" 1
277 1 29 VAL MG2 1 30 ASP H 5.000 . 6.000 3.973 2.632 4.263 . 0 0 "[ . 1 . 2]" 1
278 1 30 ASP H 1 30 ASP HB3 3.500 . 4.500 3.294 2.616 3.833 . 0 0 "[ . 1 . 2]" 1
279 1 30 ASP HA 1 31 GLY H 2.200 . 2.500 2.184 2.142 2.267 . 0 0 "[ . 1 . 2]" 1
280 1 30 ASP HA 1 32 ALA H 5.000 . 6.000 3.422 3.140 3.885 . 0 0 "[ . 1 . 2]" 1
281 1 30 ASP QB 1 31 GLY H 3.500 . 4.500 3.323 2.836 3.801 . 0 0 "[ . 1 . 2]" 1
282 1 31 GLY H 1 32 ALA H 5.000 . 6.000 2.334 2.104 2.837 . 0 0 "[ . 1 . 2]" 1
283 1 31 GLY QA 1 32 ALA H 3.500 . 4.500 2.867 2.780 2.919 . 0 0 "[ . 1 . 2]" 1
284 1 32 ALA H 1 32 ALA HA 2.800 . 3.500 2.876 2.815 2.918 . 0 0 "[ . 1 . 2]" 1
285 1 32 ALA H 1 32 ALA MB 2.800 . 3.500 2.153 2.040 2.291 . 0 0 "[ . 1 . 2]" 1
286 1 32 ALA MB 1 34 LEU H 5.000 . 6.000 3.625 2.510 5.619 . 0 0 "[ . 1 . 2]" 1
287 1 33 VAL H 1 33 VAL HA 2.800 . 3.500 2.874 2.747 2.955 . 0 0 "[ . 1 . 2]" 1
288 1 33 VAL H 1 33 VAL HB 3.500 . 4.500 2.994 2.279 3.719 . 0 0 "[ . 1 . 2]" 1
289 1 33 VAL H 1 34 LEU H 5.000 . 6.000 2.893 1.983 4.650 . 0 0 "[ . 1 . 2]" 1
290 1 33 VAL HB 1 34 LEU H 5.000 . 6.000 3.116 1.762 4.312 0.038 5 0 "[ . 1 . 2]" 1
291 1 33 VAL QG 1 34 LEU H 5.000 . 6.000 2.482 1.787 3.328 0.013 10 0 "[ . 1 . 2]" 1
292 1 33 VAL QG 1 34 LEU HA 5.000 . 6.000 3.973 3.340 4.531 . 0 0 "[ . 1 . 2]" 1
293 1 34 LEU H 1 34 LEU HA 2.800 . 3.500 2.840 2.295 2.958 . 0 0 "[ . 1 . 2]" 1
294 1 34 LEU H 1 34 LEU HB2 3.500 . 4.500 3.574 3.079 3.795 . 0 0 "[ . 1 . 2]" 1
295 1 34 LEU H 1 34 LEU HB3 3.500 . 4.500 3.491 2.321 3.786 . 0 0 "[ . 1 . 2]" 1
296 1 34 LEU QD 1 36 TRP HA 5.000 . 6.000 4.343 3.438 4.818 . 0 0 "[ . 1 . 2]" 1
297 1 34 LEU QD 1 36 TRP HB2 5.000 . 6.000 5.365 4.712 5.998 . 0 0 "[ . 1 . 2]" 1
298 1 34 LEU QD 1 36 TRP HB3 5.000 . 6.000 5.449 4.687 6.028 0.028 12 0 "[ . 1 . 2]" 1
299 1 35 PRO HA 1 36 TRP H 2.800 . 3.500 2.305 2.213 2.373 . 0 0 "[ . 1 . 2]" 1
300 1 35 PRO QB 1 36 TRP H 5.000 . 6.000 2.865 2.680 3.127 . 0 0 "[ . 1 . 2]" 1
301 1 36 TRP HA 1 37 SER H 2.800 . 3.500 2.707 2.372 3.010 . 0 0 "[ . 1 . 2]" 1
302 1 36 TRP QB 1 37 SER H 5.000 . 6.000 2.023 1.754 2.689 0.046 9 0 "[ . 1 . 2]" 1
303 1 37 SER H 1 37 SER HA 2.800 . 3.500 2.968 2.949 2.975 . 0 0 "[ . 1 . 2]" 1
304 1 37 SER HA 1 38 LEU H 2.200 . 2.500 2.278 2.167 2.412 . 0 0 "[ . 1 . 2]" 1
305 1 37 SER HB2 1 38 LEU H 3.500 . 4.500 3.472 2.434 4.154 . 0 0 "[ . 1 . 2]" 1
306 1 37 SER HB3 1 38 LEU H 3.500 . 4.500 3.243 2.445 4.163 . 0 0 "[ . 1 . 2]" 1
307 1 38 LEU H 1 38 LEU HB2 3.500 . 4.500 2.737 2.516 3.209 . 0 0 "[ . 1 . 2]" 1
308 1 38 LEU H 1 38 LEU HB3 3.500 . 4.500 3.255 2.827 3.761 . 0 0 "[ . 1 . 2]" 1
309 1 38 LEU HA 1 39 HIS H 2.200 . 2.500 2.263 2.186 2.331 . 0 0 "[ . 1 . 2]" 1
310 1 38 LEU QB 1 39 HIS H 5.000 . 6.000 3.193 2.613 3.573 . 0 0 "[ . 1 . 2]" 1
311 1 38 LEU QD 1 39 HIS H 5.000 . 6.000 2.682 1.793 3.814 0.007 9 0 "[ . 1 . 2]" 1
312 1 38 LEU HG 1 39 HIS H 3.500 . 4.500 3.127 1.914 4.445 . 0 0 "[ . 1 . 2]" 1
313 1 39 HIS H 1 39 HIS QB 3.500 . 4.500 2.782 2.320 3.057 . 0 0 "[ . 1 . 2]" 1
314 1 39 HIS HA 1 40 ILE H 2.200 . 2.500 2.148 2.138 2.171 . 0 0 "[ . 1 . 2]" 1
315 1 39 HIS QB 1 40 ILE H 5.000 . 6.000 3.320 3.052 3.764 . 0 0 "[ . 1 . 2]" 1
316 1 40 ILE H 1 40 ILE HB 3.500 . 4.500 2.676 2.517 2.956 . 0 0 "[ . 1 . 2]" 1
317 1 40 ILE H 1 40 ILE HG12 5.000 . 6.000 4.012 2.363 4.686 . 0 0 "[ . 1 . 2]" 1
318 1 40 ILE H 1 40 ILE HG13 5.000 . 6.000 3.286 2.621 4.319 . 0 0 "[ . 1 . 2]" 1
319 1 40 ILE HA 1 41 THR H 2.200 . 2.500 2.168 2.141 2.195 . 0 0 "[ . 1 . 2]" 1
320 1 40 ILE HB 1 41 THR H 5.000 . 6.000 4.181 4.009 4.454 . 0 0 "[ . 1 . 2]" 1
321 1 40 ILE MG 1 41 THR H 5.000 . 6.000 2.488 2.221 2.806 . 0 0 "[ . 1 . 2]" 1
322 1 40 ILE MG 1 41 THR HA 5.000 . 6.000 3.755 3.519 4.174 . 0 0 "[ . 1 . 2]" 1
323 1 40 ILE MG 1 42 THR HA 5.000 . 6.000 4.364 4.079 4.911 . 0 0 "[ . 1 . 2]" 1
324 1 41 THR H 1 41 THR HB 3.500 . 4.500 3.279 2.355 3.786 . 0 0 "[ . 1 . 2]" 1
325 1 41 THR HA 1 42 THR H 2.200 . 2.500 2.154 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
326 1 41 THR HA 1 42 THR MG 5.000 . 6.000 5.027 3.837 5.450 . 0 0 "[ . 1 . 2]" 1
327 1 41 THR HB 1 42 THR H 5.000 . 6.000 3.785 3.233 4.402 . 0 0 "[ . 1 . 2]" 1
328 1 42 THR HB 1 45 ALA MB 5.000 . 6.000 4.978 2.879 6.014 0.014 16 0 "[ . 1 . 2]" 1
329 1 42 THR HB 1 47 VAL HB 5.000 . 6.000 4.843 3.834 5.990 . 0 0 "[ . 1 . 2]" 1
330 1 42 THR HB 1 47 VAL QG 5.000 . 6.000 2.925 2.178 4.183 . 0 0 "[ . 1 . 2]" 1
331 1 42 THR MG 1 47 VAL HB 5.000 . 6.000 4.599 2.866 5.882 . 0 0 "[ . 1 . 2]" 1
332 1 44 ASP HA 1 45 ALA H 5.000 . 6.000 2.670 2.150 3.471 . 0 0 "[ . 1 . 2]" 1
333 1 45 ALA HA 1 46 ALA H 5.000 . 6.000 2.882 2.176 3.575 . 0 0 "[ . 1 . 2]" 1
334 1 46 ALA H 1 46 ALA HA 2.800 . 3.500 2.904 2.785 2.959 . 0 0 "[ . 1 . 2]" 1
335 1 46 ALA H 1 47 VAL H 5.000 . 6.000 4.424 4.024 4.636 . 0 0 "[ . 1 . 2]" 1
336 1 46 ALA HA 1 47 VAL H 2.200 . 2.500 2.167 2.145 2.291 . 0 0 "[ . 1 . 2]" 1
337 1 46 ALA HA 1 47 VAL QG 5.000 . 6.000 3.476 3.015 3.961 . 0 0 "[ . 1 . 2]" 1
338 1 46 ALA MB 1 47 VAL H 5.000 . 6.000 3.164 2.718 3.371 . 0 0 "[ . 1 . 2]" 1
339 1 47 VAL H 1 47 VAL HB 2.800 . 3.500 3.072 2.646 3.532 0.032 4 0 "[ . 1 . 2]" 1
340 1 47 VAL HA 1 48 MET H 2.200 . 2.500 2.256 2.144 2.366 . 0 0 "[ . 1 . 2]" 1
341 1 47 VAL QG 1 48 MET H 5.000 . 6.000 2.215 1.796 2.828 0.004 6 0 "[ . 1 . 2]" 1
342 1 47 VAL QG 1 48 MET HA 5.000 . 6.000 3.767 3.321 4.381 . 0 0 "[ . 1 . 2]" 1
343 1 47 VAL QG 1 48 MET QB 5.000 . 6.000 4.130 3.719 4.778 . 0 0 "[ . 1 . 2]" 1
344 1 47 VAL QG 1 48 MET QG 5.000 . 6.000 3.854 2.970 5.304 . 0 0 "[ . 1 . 2]" 1
345 1 48 MET H 1 48 MET HA 2.800 . 3.500 2.942 2.913 2.960 . 0 0 "[ . 1 . 2]" 1
346 1 48 MET H 1 48 MET QB 2.800 . 3.500 2.819 2.373 3.160 . 0 0 "[ . 1 . 2]" 1
347 1 48 MET HA 1 49 GLY H 3.500 . 4.500 2.332 2.149 2.580 . 0 0 "[ . 1 . 2]" 1
348 1 48 MET QB 1 49 GLY H 5.000 . 6.000 2.774 2.100 3.642 . 0 0 "[ . 1 . 2]" 1
349 1 48 MET QG 1 49 GLY H 5.000 . 6.000 3.751 1.831 4.581 . 0 0 "[ . 1 . 2]" 1
350 1 49 GLY H 1 49 GLY HA2 2.800 . 3.500 2.937 2.870 2.963 . 0 0 "[ . 1 . 2]" 1
351 1 49 GLY H 1 49 GLY HA3 2.800 . 3.500 2.541 2.313 2.709 . 0 0 "[ . 1 . 2]" 1
352 1 49 GLY H 1 64 ILE MD 5.000 . 6.000 2.473 1.789 3.503 0.011 6 0 "[ . 1 . 2]" 1
353 1 49 GLY QA 1 50 ASN H 3.500 . 4.500 2.221 2.154 2.261 . 0 0 "[ . 1 . 2]" 1
354 1 49 GLY HA2 1 50 ASN H 2.800 . 3.500 2.314 2.205 2.388 . 0 0 "[ . 1 . 2]" 1
355 1 49 GLY HA2 1 64 ILE MD 5.000 . 6.000 4.648 4.060 5.439 . 0 0 "[ . 1 . 2]" 1
356 1 49 GLY HA2 1 64 ILE MG 5.000 . 6.000 5.626 4.682 6.003 0.003 19 0 "[ . 1 . 2]" 1
357 1 49 GLY HA3 1 64 ILE MD 5.000 . 6.000 3.931 3.028 4.863 . 0 0 "[ . 1 . 2]" 1
358 1 49 GLY HA3 1 64 ILE MG 5.000 . 6.000 4.964 3.785 5.704 . 0 0 "[ . 1 . 2]" 1
359 1 50 ASN H 1 64 ILE MD 5.000 . 6.000 5.297 4.655 5.876 . 0 0 "[ . 1 . 2]" 1
360 1 50 ASN HA 1 51 ILE H 2.200 . 2.500 2.149 2.141 2.162 . 0 0 "[ . 1 . 2]" 1
361 1 50 ASN HB2 1 51 ILE H 5.000 . 6.000 4.332 3.617 4.533 . 0 0 "[ . 1 . 2]" 1
362 1 50 ASN HB3 1 51 ILE H 5.000 . 6.000 3.865 3.454 4.493 . 0 0 "[ . 1 . 2]" 1
363 1 51 ILE H 1 51 ILE MD 5.000 . 6.000 4.515 3.796 4.722 . 0 0 "[ . 1 . 2]" 1
364 1 51 ILE HA 1 52 VAL H 2.200 . 2.500 2.196 2.157 2.221 . 0 0 "[ . 1 . 2]" 1
365 1 51 ILE MD 1 52 VAL H 5.000 . 6.000 3.950 1.772 4.583 0.028 1 0 "[ . 1 . 2]" 1
366 1 51 ILE MD 1 53 ALA HA 5.000 . 6.000 5.555 4.092 6.035 0.035 15 0 "[ . 1 . 2]" 1
367 1 52 VAL HA 1 53 ALA H 2.200 . 2.500 2.303 2.240 2.424 . 0 0 "[ . 1 . 2]" 1
368 1 52 VAL HB 1 53 ALA H 3.500 . 4.500 3.627 2.415 4.099 . 0 0 "[ . 1 . 2]" 1
369 1 53 ALA HA 1 54 GLN H 2.200 . 2.500 2.257 2.177 2.356 . 0 0 "[ . 1 . 2]" 1
370 1 53 ALA MB 1 54 GLN H 3.500 . 4.500 2.789 2.488 3.042 . 0 0 "[ . 1 . 2]" 1
371 1 53 ALA MB 1 60 ILE MD 5.000 . 6.000 2.550 1.903 3.656 . 0 0 "[ . 1 . 2]" 1
372 1 54 GLN H 1 54 GLN QB 3.500 . 4.500 2.736 2.374 3.193 . 0 0 "[ . 1 . 2]" 1
373 1 54 GLN HA 1 55 GLY H 3.500 . 4.500 2.476 2.183 2.923 . 0 0 "[ . 1 . 2]" 1
374 1 54 GLN QB 1 55 GLY H 5.000 . 6.000 3.895 3.594 4.046 . 0 0 "[ . 1 . 2]" 1
375 1 55 GLY H 1 60 ILE MD 5.000 . 6.000 2.895 1.915 3.712 . 0 0 "[ . 1 . 2]" 1
376 1 55 GLY QA 1 56 ASN H 3.500 . 4.500 2.254 2.230 2.269 . 0 0 "[ . 1 . 2]" 1
377 1 55 GLY HA2 1 56 ASN H 2.800 . 3.500 2.377 2.321 2.409 . 0 0 "[ . 1 . 2]" 1
378 1 55 GLY HA2 1 60 ILE MD 5.000 . 6.000 4.847 3.712 5.776 . 0 0 "[ . 1 . 2]" 1
379 1 55 GLY HA3 1 60 ILE MD 5.000 . 6.000 3.713 2.546 4.758 . 0 0 "[ . 1 . 2]" 1
380 1 56 ASN H 1 57 SER H 5.000 . 6.000 3.367 2.725 4.330 . 0 0 "[ . 1 . 2]" 1
381 1 56 ASN H 1 60 ILE MD 5.000 . 6.000 5.344 4.503 6.001 0.001 18 0 "[ . 1 . 2]" 1
382 1 56 ASN HA 1 57 SER H 5.000 . 6.000 2.715 2.167 3.132 . 0 0 "[ . 1 . 2]" 1
383 1 56 ASN HA 1 80 ASN HA 5.000 . 6.000 3.303 2.199 6.002 0.002 2 0 "[ . 1 . 2]" 1
384 1 56 ASN HA 1 81 ALA H 5.000 . 6.000 4.205 3.400 5.782 . 0 0 "[ . 1 . 2]" 1
385 1 57 SER H 1 57 SER HB2 3.500 . 4.500 3.183 2.261 3.765 . 0 0 "[ . 1 . 2]" 1
386 1 57 SER H 1 57 SER HB3 3.500 . 4.500 2.907 2.258 3.729 . 0 0 "[ . 1 . 2]" 1
387 1 57 SER HA 1 58 ASP H 3.500 . 4.500 2.662 2.502 2.745 . 0 0 "[ . 1 . 2]" 1
388 1 57 SER QB 1 58 ASP H 3.500 . 4.500 2.225 1.789 2.973 0.011 4 0 "[ . 1 . 2]" 1
389 1 57 SER HB2 1 58 ASP H 2.800 . 3.500 2.588 1.858 3.456 . 0 0 "[ . 1 . 2]" 1
390 1 57 SER HB2 1 59 SER H 5.000 . 6.000 3.370 2.177 5.643 . 0 0 "[ . 1 . 2]" 1
391 1 57 SER HB3 1 59 SER H 5.000 . 6.000 3.958 2.120 5.643 . 0 0 "[ . 1 . 2]" 1
392 1 58 ASP H 1 59 SER H 3.500 . 4.500 2.182 1.808 4.444 . 0 0 "[ . 1 . 2]" 1
393 1 58 ASP HA 1 59 SER H 5.000 . 6.000 3.310 2.164 3.563 . 0 0 "[ . 1 . 2]" 1
394 1 58 ASP HA 1 79 VAL HA 5.000 . 6.000 2.678 2.195 4.882 . 0 0 "[ . 1 . 2]" 1
395 1 58 ASP HA 1 79 VAL QG 5.000 . 6.000 3.269 2.504 4.284 . 0 0 "[ . 1 . 2]" 1
396 1 58 ASP HA 1 80 ASN H 5.000 . 6.000 3.667 2.077 5.022 . 0 0 "[ . 1 . 2]" 1
397 1 58 ASP HA 1 81 ALA MB 5.000 . 6.000 5.753 5.243 6.002 0.002 6 0 "[ . 1 . 2]" 1
398 1 58 ASP QB 1 79 VAL HA 5.000 . 6.000 4.086 2.904 5.996 . 0 0 "[ . 1 . 2]" 1
399 1 58 ASP HB2 1 79 VAL QG 5.000 . 6.000 4.522 3.611 5.529 . 0 0 "[ . 1 . 2]" 1
400 1 58 ASP HB3 1 79 VAL QG 5.000 . 6.000 4.077 2.687 5.435 . 0 0 "[ . 1 . 2]" 1
401 1 59 SER HA 1 60 ILE H 2.200 . 2.500 2.171 2.113 2.492 . 0 0 "[ . 1 . 2]" 1
402 1 59 SER HA 1 77 ASN HA 5.000 . 6.000 3.279 2.572 4.062 . 0 0 "[ . 1 . 2]" 1
403 1 59 SER HA 1 78 GLU H 5.000 . 6.000 2.907 2.327 4.095 . 0 0 "[ . 1 . 2]" 1
404 1 59 SER HA 1 81 ALA MB 5.000 . 6.000 5.561 4.915 6.006 0.006 4 0 "[ . 1 . 2]" 1
405 1 59 SER HB2 1 60 ILE H 5.000 . 6.000 4.272 3.798 4.624 . 0 0 "[ . 1 . 2]" 1
406 1 59 SER HB2 1 77 ASN HA 5.000 . 6.000 4.829 3.949 5.902 . 0 0 "[ . 1 . 2]" 1
407 1 59 SER HB3 1 60 ILE H 5.000 . 6.000 4.486 4.303 4.705 . 0 0 "[ . 1 . 2]" 1
408 1 59 SER HB3 1 77 ASN HA 5.000 . 6.000 5.569 4.350 6.950 0.950 2 2 "[ + .- 1 . 2]" 1
409 1 60 ILE H 1 60 ILE HG12 5.000 . 6.000 4.548 4.285 4.812 . 0 0 "[ . 1 . 2]" 1
410 1 60 ILE H 1 60 ILE HG13 5.000 . 6.000 3.734 2.964 4.627 . 0 0 "[ . 1 . 2]" 1
411 1 60 ILE H 1 76 SER H 5.000 . 6.000 5.798 5.328 6.008 0.008 1 0 "[ . 1 . 2]" 1
412 1 60 ILE H 1 76 SER QB 5.000 . 6.000 5.514 4.180 5.958 . 0 0 "[ . 1 . 2]" 1
413 1 60 ILE H 1 77 ASN HA 5.000 . 6.000 3.135 2.471 3.853 . 0 0 "[ . 1 . 2]" 1
414 1 60 ILE H 1 81 ALA MB 5.000 . 6.000 4.575 3.927 5.369 . 0 0 "[ . 1 . 2]" 1
415 1 60 ILE HA 1 61 GLY H 2.200 . 2.500 2.217 2.145 2.357 . 0 0 "[ . 1 . 2]" 1
416 1 60 ILE HB 1 61 GLY H 5.000 . 6.000 4.218 3.733 4.434 . 0 0 "[ . 1 . 2]" 1
417 1 60 ILE HB 1 81 ALA MB 5.000 . 6.000 3.493 2.300 5.893 . 0 0 "[ . 1 . 2]" 1
418 1 60 ILE MD 1 81 ALA MB 5.000 . 6.000 2.805 1.904 5.988 . 0 0 "[ . 1 . 2]" 1
419 1 60 ILE HG12 1 61 GLY H 3.500 . 4.500 3.659 2.824 4.436 . 0 0 "[ . 1 . 2]" 1
420 1 60 ILE HG13 1 61 GLY H 3.500 . 4.500 4.030 2.524 4.529 0.029 8 0 "[ . 1 . 2]" 1
421 1 60 ILE MG 1 61 GLY H 5.000 . 6.000 2.620 1.798 3.822 0.002 16 0 "[ . 1 . 2]" 1
422 1 60 ILE MG 1 76 SER H 5.000 . 6.000 4.900 4.320 6.011 0.011 2 0 "[ . 1 . 2]" 1
423 1 60 ILE MG 1 76 SER QB 5.000 . 6.000 4.457 3.687 5.337 . 0 0 "[ . 1 . 2]" 1
424 1 61 GLY H 1 61 GLY HA2 2.800 . 3.500 2.869 2.790 2.931 . 0 0 "[ . 1 . 2]" 1
425 1 61 GLY H 1 61 GLY HA3 2.800 . 3.500 2.737 2.635 2.838 . 0 0 "[ . 1 . 2]" 1
426 1 61 GLY HA2 1 62 CYS H 2.800 . 3.500 2.427 2.229 2.536 . 0 0 "[ . 1 . 2]" 1
427 1 61 GLY HA2 1 75 VAL HA 5.000 . 6.000 3.659 2.709 5.180 . 0 0 "[ . 1 . 2]" 1
428 1 61 GLY HA2 1 75 VAL QG 5.000 . 6.000 4.090 3.009 5.018 . 0 0 "[ . 1 . 2]" 1
429 1 61 GLY HA2 1 76 SER H 5.000 . 6.000 2.972 2.228 5.481 . 0 0 "[ . 1 . 2]" 1
430 1 61 GLY HA3 1 62 CYS H 2.800 . 3.500 2.745 2.610 3.009 . 0 0 "[ . 1 . 2]" 1
431 1 61 GLY HA3 1 75 VAL HA 5.000 . 6.000 3.211 2.668 4.819 . 0 0 "[ . 1 . 2]" 1
432 1 61 GLY HA3 1 75 VAL QG 5.000 . 6.000 3.166 2.011 4.386 . 0 0 "[ . 1 . 2]" 1
433 1 61 GLY HA3 1 76 SER H 5.000 . 6.000 3.083 2.545 5.026 . 0 0 "[ . 1 . 2]" 1
434 1 62 CYS H 1 74 ARG H 5.000 . 6.000 4.779 4.044 6.002 0.002 2 0 "[ . 1 . 2]" 1
435 1 62 CYS H 1 75 VAL HA 5.000 . 6.000 3.155 2.183 5.516 . 0 0 "[ . 1 . 2]" 1
436 1 62 CYS H 1 75 VAL MG1 5.000 . 6.000 4.528 3.437 5.651 . 0 0 "[ . 1 . 2]" 1
437 1 62 CYS H 1 75 VAL MG2 5.000 . 6.000 4.332 3.186 5.825 . 0 0 "[ . 1 . 2]" 1
438 1 62 CYS HA 1 63 ARG H 2.200 . 2.500 2.359 2.271 2.466 . 0 0 "[ . 1 . 2]" 1
439 1 62 CYS QB 1 63 ARG H 5.000 . 6.000 2.709 2.317 3.323 . 0 0 "[ . 1 . 2]" 1
440 1 62 CYS HB3 1 63 ARG H 3.500 . 4.500 3.692 2.741 4.129 . 0 0 "[ . 1 . 2]" 1
441 1 63 ARG H 1 63 ARG HA 2.800 . 3.500 2.902 2.883 2.934 . 0 0 "[ . 1 . 2]" 1
442 1 63 ARG H 1 63 ARG HB3 3.500 . 4.500 3.428 2.779 3.867 . 0 0 "[ . 1 . 2]" 1
443 1 63 ARG HA 1 64 ILE H 2.200 . 2.500 2.235 2.160 2.347 . 0 0 "[ . 1 . 2]" 1
444 1 63 ARG HA 1 74 ARG H 5.000 . 6.000 3.559 2.615 5.779 . 0 0 "[ . 1 . 2]" 1
445 1 63 ARG QB 1 64 ILE H 5.000 . 6.000 3.006 2.543 3.808 . 0 0 "[ . 1 . 2]" 1
446 1 63 ARG QG 1 64 ILE H 5.000 . 6.000 3.668 2.171 4.437 . 0 0 "[ . 1 . 2]" 1
447 1 64 ILE H 1 64 ILE HB 3.500 . 4.500 2.756 2.468 3.153 . 0 0 "[ . 1 . 2]" 1
448 1 64 ILE H 1 64 ILE MD 5.000 . 6.000 3.340 2.141 4.432 . 0 0 "[ . 1 . 2]" 1
449 1 64 ILE H 1 72 ALA H 5.000 . 6.000 5.068 4.501 5.776 . 0 0 "[ . 1 . 2]" 1
450 1 64 ILE H 1 72 ALA MB 5.000 . 6.000 5.140 1.935 6.009 0.009 9 0 "[ . 1 . 2]" 1
451 1 64 ILE H 1 73 GLU QG 5.000 . 6.000 3.770 1.866 5.969 . 0 0 "[ . 1 . 2]" 1
452 1 64 ILE HA 1 65 THR H 2.200 . 2.500 2.152 2.142 2.170 . 0 0 "[ . 1 . 2]" 1
453 1 64 ILE HB 1 65 THR H 5.000 . 6.000 4.231 3.857 4.488 . 0 0 "[ . 1 . 2]" 1
454 1 64 ILE HB 1 72 ALA H 5.000 . 6.000 4.218 2.958 5.569 . 0 0 "[ . 1 . 2]" 1
455 1 64 ILE QG 1 65 THR H 5.000 . 6.000 4.223 2.238 4.822 . 0 0 "[ . 1 . 2]" 1
456 1 64 ILE MG 1 65 THR H 5.000 . 6.000 2.774 2.315 3.753 . 0 0 "[ . 1 . 2]" 1
457 1 64 ILE MG 1 72 ALA H 5.000 . 6.000 4.446 2.767 5.804 . 0 0 "[ . 1 . 2]" 1
458 1 65 THR H 1 65 THR HB 3.500 . 4.500 3.487 2.555 3.806 . 0 0 "[ . 1 . 2]" 1
459 1 65 THR HA 1 66 VAL H 2.800 . 3.500 2.172 2.143 2.211 . 0 0 "[ . 1 . 2]" 1
460 1 65 THR HA 1 70 VAL HA 5.000 . 6.000 3.189 2.418 3.766 . 0 0 "[ . 1 . 2]" 1
461 1 65 THR HA 1 71 ARG H 3.500 . 4.500 3.971 3.205 4.506 0.006 20 0 "[ . 1 . 2]" 1
462 1 65 THR HA 1 72 ALA H 5.000 . 6.000 5.226 4.286 5.919 . 0 0 "[ . 1 . 2]" 1
463 1 65 THR MG 1 70 VAL HA 5.000 . 6.000 4.197 3.015 6.008 0.008 11 0 "[ . 1 . 2]" 1
464 1 66 VAL H 1 66 VAL HB 3.500 . 4.500 3.210 2.497 3.918 . 0 0 "[ . 1 . 2]" 1
465 1 66 VAL H 1 69 LYS H 3.500 . 4.500 3.582 3.151 3.877 . 0 0 "[ . 1 . 2]" 1
466 1 66 VAL H 1 69 LYS QB 5.000 . 6.000 4.628 4.082 5.161 . 0 0 "[ . 1 . 2]" 1
467 1 66 VAL H 1 70 VAL HA 3.500 . 4.500 3.698 2.998 4.336 . 0 0 "[ . 1 . 2]" 1
468 1 66 VAL HA 1 67 ASP H 2.800 . 3.500 2.244 2.154 2.331 . 0 0 "[ . 1 . 2]" 1
469 1 66 VAL QG 1 67 ASP H 5.000 . 6.000 2.492 1.796 3.503 0.004 14 0 "[ . 1 . 2]" 1
470 1 66 VAL QG 1 67 ASP HA 5.000 . 6.000 3.898 3.355 4.755 . 0 0 "[ . 1 . 2]" 1
471 1 66 VAL QG 1 67 ASP HB2 5.000 . 6.000 2.836 2.168 4.158 . 0 0 "[ . 1 . 2]" 1
472 1 66 VAL QG 1 67 ASP HB3 5.000 . 6.000 3.687 2.847 4.681 . 0 0 "[ . 1 . 2]" 1
473 1 66 VAL QG 1 68 GLY H 5.000 . 6.000 3.881 3.533 4.253 . 0 0 "[ . 1 . 2]" 1
474 1 66 VAL QG 1 68 GLY HA2 5.000 . 6.000 5.370 5.126 5.650 . 0 0 "[ . 1 . 2]" 1
475 1 66 VAL QG 1 68 GLY HA3 5.000 . 6.000 5.781 5.491 6.016 0.016 14 0 "[ . 1 . 2]" 1
476 1 66 VAL QG 1 69 LYS H 5.000 . 6.000 3.805 3.324 4.602 . 0 0 "[ . 1 . 2]" 1
477 1 66 VAL QG 1 69 LYS QB 5.000 . 6.000 3.949 3.049 5.132 . 0 0 "[ . 1 . 2]" 1
478 1 66 VAL QG 1 71 ARG H 5.000 . 6.000 4.159 3.163 5.144 . 0 0 "[ . 1 . 2]" 1
479 1 66 VAL QG 1 71 ARG QB 5.000 . 6.000 3.239 2.069 4.737 . 0 0 "[ . 1 . 2]" 1
480 1 67 ASP H 1 67 ASP HA 2.800 . 3.500 2.302 2.294 2.320 . 0 0 "[ . 1 . 2]" 1
481 1 67 ASP H 1 68 GLY H 5.000 . 6.000 2.750 2.614 2.896 . 0 0 "[ . 1 . 2]" 1
482 1 67 ASP HA 1 68 GLY H 5.000 . 6.000 3.102 2.938 3.245 . 0 0 "[ . 1 . 2]" 1
483 1 68 GLY H 1 69 LYS H 5.000 . 6.000 2.573 2.353 2.752 . 0 0 "[ . 1 . 2]" 1
484 1 68 GLY HA2 1 69 LYS H 5.000 . 6.000 3.284 3.173 3.366 . 0 0 "[ . 1 . 2]" 1
485 1 68 GLY HA3 1 69 LYS H 5.000 . 6.000 3.274 3.180 3.374 . 0 0 "[ . 1 . 2]" 1
486 1 69 LYS H 1 69 LYS HA 2.800 . 3.500 2.954 2.936 2.960 . 0 0 "[ . 1 . 2]" 1
487 1 69 LYS H 1 69 LYS QB 2.800 . 3.500 2.485 2.240 3.143 . 0 0 "[ . 1 . 2]" 1
488 1 69 LYS HA 1 70 VAL H 2.200 . 2.500 2.181 2.152 2.255 . 0 0 "[ . 1 . 2]" 1
489 1 69 LYS QB 1 70 VAL H 5.000 . 6.000 3.297 3.015 3.734 . 0 0 "[ . 1 . 2]" 1
490 1 70 VAL H 1 70 VAL HB 2.800 . 3.500 2.695 2.307 3.569 0.069 18 0 "[ . 1 . 2]" 1
491 1 70 VAL HA 1 71 ARG H 2.200 . 2.500 2.172 2.140 2.219 . 0 0 "[ . 1 . 2]" 1
492 1 70 VAL HA 1 71 ARG QB 5.000 . 6.000 4.151 3.896 4.692 . 0 0 "[ . 1 . 2]" 1
493 1 70 VAL HA 1 71 ARG QD 5.000 . 6.000 5.539 4.650 6.030 0.030 9 0 "[ . 1 . 2]" 1
494 1 70 VAL HA 1 71 ARG QG 5.000 . 6.000 4.866 3.137 5.915 . 0 0 "[ . 1 . 2]" 1
495 1 70 VAL HA 1 72 ALA H 5.000 . 6.000 4.272 3.727 4.829 . 0 0 "[ . 1 . 2]" 1
496 1 70 VAL QG 1 71 ARG H 5.000 . 6.000 2.554 2.150 3.609 . 0 0 "[ . 1 . 2]" 1
497 1 70 VAL MG2 1 72 ALA H 5.000 . 6.000 4.468 2.382 6.016 0.016 13 0 "[ . 1 . 2]" 1
498 1 71 ARG H 1 71 ARG HB2 3.500 . 4.500 2.697 2.244 3.480 . 0 0 "[ . 1 . 2]" 1
499 1 71 ARG H 1 72 ALA H 2.800 . 3.500 2.271 1.793 2.657 0.007 2 0 "[ . 1 . 2]" 1
500 1 71 ARG HB2 1 72 ALA H 5.000 . 6.000 3.025 1.951 4.275 . 0 0 "[ . 1 . 2]" 1
501 1 71 ARG HB3 1 72 ALA H 5.000 . 6.000 2.796 1.785 4.093 0.015 11 0 "[ . 1 . 2]" 1
502 1 71 ARG QG 1 72 ALA H 5.000 . 6.000 3.747 2.115 4.583 . 0 0 "[ . 1 . 2]" 1
503 1 72 ALA HA 1 73 GLU H 3.500 . 4.500 2.173 2.151 2.293 . 0 0 "[ . 1 . 2]" 1
504 1 72 ALA MB 1 73 GLU H 5.000 . 6.000 3.075 2.623 3.182 . 0 0 "[ . 1 . 2]" 1
505 1 73 GLU HA 1 74 ARG H 2.200 . 2.500 2.205 2.141 2.364 . 0 0 "[ . 1 . 2]" 1
506 1 73 GLU QB 1 74 ARG H 5.000 . 6.000 3.154 2.496 3.802 . 0 0 "[ . 1 . 2]" 1
507 1 73 GLU HG2 1 74 ARG H 5.000 . 6.000 4.509 2.888 5.572 . 0 0 "[ . 1 . 2]" 1
508 1 73 GLU HG3 1 74 ARG H 5.000 . 6.000 4.317 2.618 5.260 . 0 0 "[ . 1 . 2]" 1
509 1 74 ARG HA 1 75 VAL H 2.800 . 3.500 2.153 2.144 2.175 . 0 0 "[ . 1 . 2]" 1
510 1 74 ARG QB 1 75 VAL H 5.000 . 6.000 3.538 3.052 3.876 . 0 0 "[ . 1 . 2]" 1
511 1 74 ARG HG2 1 75 VAL H 5.000 . 6.000 4.253 2.754 5.395 . 0 0 "[ . 1 . 2]" 1
512 1 74 ARG HG3 1 75 VAL H 5.000 . 6.000 4.307 2.808 5.602 . 0 0 "[ . 1 . 2]" 1
513 1 75 VAL H 1 75 VAL HA 2.800 . 3.500 2.957 2.943 2.960 . 0 0 "[ . 1 . 2]" 1
514 1 75 VAL H 1 75 VAL HB 3.500 . 4.500 3.000 2.484 3.751 . 0 0 "[ . 1 . 2]" 1
515 1 75 VAL HA 1 76 SER H 2.200 . 2.500 2.148 2.135 2.184 . 0 0 "[ . 1 . 2]" 1
516 1 75 VAL HB 1 76 SER H 5.000 . 6.000 4.060 3.199 4.462 . 0 0 "[ . 1 . 2]" 1
517 1 75 VAL MG1 1 76 SER H 5.000 . 6.000 3.302 2.336 4.267 . 0 0 "[ . 1 . 2]" 1
518 1 75 VAL MG2 1 76 SER H 5.000 . 6.000 3.828 2.510 4.403 . 0 0 "[ . 1 . 2]" 1
519 1 76 SER H 1 76 SER QB 3.500 . 4.500 2.664 2.364 3.083 . 0 0 "[ . 1 . 2]" 1
520 1 76 SER HA 1 77 ASN H 2.800 . 3.500 2.152 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
521 1 76 SER QB 1 77 ASN H 5.000 . 6.000 3.406 3.097 3.766 . 0 0 "[ . 1 . 2]" 1
522 1 76 SER QB 1 81 ALA MB 5.000 . 6.000 5.448 4.082 6.018 0.018 9 0 "[ . 1 . 2]" 1
523 1 77 ASN HA 1 78 GLU H 2.200 . 2.500 2.166 2.143 2.203 . 0 0 "[ . 1 . 2]" 1
524 1 77 ASN HA 1 81 ALA MB 5.000 . 6.000 5.654 2.419 6.021 0.021 4 0 "[ . 1 . 2]" 1
525 1 77 ASN QB 1 78 GLU H 5.000 . 6.000 3.237 2.992 3.731 . 0 0 "[ . 1 . 2]" 1
526 1 78 GLU H 1 78 GLU HA 2.800 . 3.500 2.920 2.892 2.953 . 0 0 "[ . 1 . 2]" 1
527 1 78 GLU H 1 81 ALA MB 5.000 . 6.000 4.404 1.865 5.046 . 0 0 "[ . 1 . 2]" 1
528 1 78 GLU HA 1 79 VAL H 2.200 . 2.500 2.215 2.151 2.513 0.013 2 0 "[ . 1 . 2]" 1
529 1 78 GLU HB2 1 79 VAL H 5.000 . 6.000 4.084 2.244 4.460 . 0 0 "[ . 1 . 2]" 1
530 1 78 GLU HB3 1 79 VAL H 5.000 . 6.000 3.543 2.780 4.006 . 0 0 "[ . 1 . 2]" 1
531 1 78 GLU HG2 1 81 ALA HA 5.000 . 6.000 4.305 2.666 5.862 . 0 0 "[ . 1 . 2]" 1
532 1 78 GLU HG2 1 81 ALA MB 5.000 . 6.000 4.053 2.641 5.313 . 0 0 "[ . 1 . 2]" 1
533 1 78 GLU HG3 1 81 ALA HA 5.000 . 6.000 4.747 2.492 5.983 . 0 0 "[ . 1 . 2]" 1
534 1 78 GLU HG3 1 81 ALA MB 5.000 . 6.000 4.254 2.145 5.526 . 0 0 "[ . 1 . 2]" 1
535 1 79 VAL H 1 79 VAL HA 2.800 . 3.500 2.886 2.788 2.944 . 0 0 "[ . 1 . 2]" 1
536 1 79 VAL H 1 79 VAL HB 2.800 . 3.500 2.903 2.510 3.575 0.075 15 0 "[ . 1 . 2]" 1
537 1 79 VAL H 1 79 VAL MG1 3.500 . 4.500 3.109 1.903 3.812 . 0 0 "[ . 1 . 2]" 1
538 1 79 VAL HA 1 80 ASN H 2.800 . 3.500 2.737 2.145 3.425 . 0 0 "[ . 1 . 2]" 1
539 1 79 VAL HA 1 81 ALA H 5.000 . 6.000 4.651 3.693 5.771 . 0 0 "[ . 1 . 2]" 1
540 1 79 VAL HB 1 80 ASN H 5.000 . 6.000 3.993 3.154 4.483 . 0 0 "[ . 1 . 2]" 1
541 1 79 VAL QG 1 80 ASN H 5.000 . 6.000 2.887 2.186 3.704 . 0 0 "[ . 1 . 2]" 1
542 1 79 VAL QG 1 80 ASN HB2 5.000 . 6.000 3.488 2.571 4.972 . 0 0 "[ . 1 . 2]" 1
543 1 79 VAL QG 1 80 ASN HB3 5.000 . 6.000 3.965 2.368 5.004 . 0 0 "[ . 1 . 2]" 1
544 1 80 ASN H 1 80 ASN HA 2.800 . 3.500 2.577 2.295 2.959 . 0 0 "[ . 1 . 2]" 1
545 1 80 ASN H 1 81 ALA H 3.500 . 4.500 2.896 2.019 3.549 . 0 0 "[ . 1 . 2]" 1
546 1 80 ASN H 1 81 ALA MB 5.000 . 6.000 4.233 3.622 4.731 . 0 0 "[ . 1 . 2]" 1
547 1 80 ASN HA 1 81 ALA H 2.800 . 3.500 2.561 2.209 3.320 . 0 0 "[ . 1 . 2]" 1
stop_
save_