NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
497290 |
2ksf   |
16922 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ksf
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 381
_Distance_constraint_stats_list.Viol_count 432
_Distance_constraint_stats_list.Viol_total 11780.195
_Distance_constraint_stats_list.Viol_max 4.867
_Distance_constraint_stats_list.Viol_rms 0.4281
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0773
_Distance_constraint_stats_list.Viol_average_violations_only 1.3634
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 28.848 3.088 15 12 "[ **.* *** * +* **-]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.004 0.004 12 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 489.799 4.867 1 20 [+*****************-*]
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.449 0.233 12 0 "[ . 1 . 2]"
1 17 ILE 6.840 2.053 19 4 "[ .* 1 * . +-]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.025 0.025 7 0 "[ . 1 . 2]"
1 22 MET 0.023 0.023 12 0 "[ . 1 . 2]"
1 23 GLN 5.082 3.979 10 2 "[ -. + . 2]"
1 24 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.030 0.027 7 0 "[ . 1 . 2]"
1 26 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 0.160 0.160 8 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 1.931 0.323 8 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.019 0.019 10 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 0.517 0.295 13 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.126 0.126 3 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 1.081 0.270 8 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.041 0.022 11 0 "[ . 1 . 2]"
1 46 LEU 0.123 0.123 19 0 "[ . 1 . 2]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 7.613 2.340 14 5 "[ - . * +. **]"
1 49 GLY 12.141 4.360 14 6 "[ ** . - * +. *]"
1 50 ARG 0.071 0.071 17 0 "[ . 1 . 2]"
1 51 TRP 22.756 3.088 15 11 "[ * *.* *-* *+* * *]"
1 53 SER 31.773 3.760 14 11 "[-* .* * ****+* *]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.280 0.270 14 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.222 0.075 10 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.153 0.115 6 0 "[ . 1 . 2]"
1 63 SER 0.272 0.061 12 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.223 0.223 14 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.274 0.274 8 0 "[ . 1 . 2]"
1 70 ALA 0.171 0.043 9 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 6.673 3.979 10 2 "[ -. + . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.043 0.043 11 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.350 0.233 7 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.011 0.011 16 0 "[ . 1 . 2]"
1 84 LEU 0.020 0.020 9 0 "[ . 1 . 2]"
1 85 THR 2.028 1.080 4 2 "[ +.- 1 . 2]"
1 86 PHE 9.726 2.654 4 5 "[ *+. * 1 .* -2]"
1 87 ALA 28.259 4.129 3 13 "[ +*-** **** ** **2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 MET 7.015 2.280 4 5 "[ *+.* 1 .* -2]"
1 90 LEU 12.108 2.930 3 6 "[ +*. * -* .* 2]"
1 91 THR 47.413 4.197 3 20 [**+*********-*******]
1 92 VAL 25.845 3.487 6 14 "[* **.+ * -** *** ***]"
1 93 GLY 3.029 1.294 4 3 "[ *+. 1 .- 2]"
1 94 LEU 18.131 2.787 3 10 "[ +**** ** - .* *2]"
1 95 VAL 18.131 2.755 6 13 "[* **.+* *** ** *-*]"
1 96 ILE 48.331 4.033 12 20 [******-****+********]
1 97 GLY 29.060 3.045 9 14 "[ ***** +* *-*.* ***]"
1 98 ASN 58.143 3.915 9 20 [********+*******-***]
1 99 LEU 60.800 4.867 1 20 [+***********-*******]
1 100 THR 20.045 3.020 16 13 "[* * ** *-** **+ * *]"
1 101 ALA 30.715 3.686 9 17 "[- ***** +* *********]"
1 102 GLY 47.044 3.460 1 20 [+***********-*******]
1 103 VAL 49.247 4.286 1 20 [+**-****************]
1 105 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLN 44.806 4.360 14 8 "[ ** .* - * +. * *]"
1 107 ALA 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 VAL H 1 3 GLN CB . . 7.000 5.667 4.912 6.603 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 14 SER CB . . 25.000 18.187 14.445 23.137 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL H 1 53 SER CB . . 21.000 15.022 10.851 19.394 . 0 0 "[ . 1 . 2]" 1
4 1 2 VAL H 1 106 GLN CB . . 25.000 14.938 6.360 24.160 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLN CB 1 5 GLN H . . 9.000 5.804 3.568 7.296 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN CB 1 6 GLY H . . 11.000 6.717 3.038 9.727 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLN CB 1 7 SER H . . 11.000 7.050 3.265 10.248 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN CB 1 8 VAL H . . 11.000 7.496 4.277 10.512 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN CB 1 9 VAL H . . 11.000 8.458 6.018 10.809 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLN CB 1 10 ALA H . . 14.000 10.246 7.321 12.681 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN CB 1 11 ALA H . 7.000 17.000 11.758 8.681 14.387 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLN CB 1 12 ALA H . 7.000 17.000 12.644 9.894 15.349 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLN CB 1 13 LEU H . 7.000 17.000 13.990 11.357 16.694 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLN CB 1 14 SER H . . 21.000 15.697 12.835 18.263 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLN H 1 14 SER CB . 11.000 21.000 16.814 14.630 18.958 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLN CB 1 15 ALA H . 11.000 21.000 17.174 14.285 20.065 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLN CB 1 16 VAL H . 11.000 21.000 18.295 15.010 21.216 0.216 4 0 "[ . 1 . 2]" 1
18 1 3 GLN CB 1 17 ILE H . 19.000 25.000 19.752 16.947 22.525 2.053 19 4 "[ .* 1 * . +-]" 1
19 1 3 GLN CB 1 18 THR H . 14.000 25.000 21.408 18.740 24.131 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLN CB 1 42 VAL H . 11.000 25.000 19.744 12.010 22.781 . 0 0 "[ . 1 . 2]" 1
21 1 3 GLN CB 1 43 VAL H . 11.000 25.000 18.340 10.887 22.325 0.113 19 0 "[ . 1 . 2]" 1
22 1 3 GLN CB 1 44 VAL H . 11.000 21.000 16.557 11.015 20.645 . 0 0 "[ . 1 . 2]" 1
23 1 3 GLN CB 1 45 ALA H . . 21.000 15.523 9.377 18.692 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLN CB 1 46 LEU H . 7.000 21.000 14.829 6.877 17.906 0.123 19 0 "[ . 1 . 2]" 1
25 1 3 GLN CB 1 47 PHE H . 7.000 21.000 13.162 7.539 17.521 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLN CB 1 48 TYR H . 9.000 17.000 11.781 7.998 15.118 1.002 19 1 "[ . 1 . +2]" 1
27 1 3 GLN CB 1 49 GLY H . . 14.000 11.122 6.079 13.607 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLN CB 1 50 ARG H . . 14.000 9.668 7.048 11.489 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLN CB 1 51 TRP H . 9.000 14.000 9.449 5.912 13.347 3.088 15 7 "[ *.* -* +* * 2]" 1
30 1 3 GLN CB 1 53 SER H . 9.000 17.000 12.508 9.647 15.019 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLN H 1 53 SER CB . 7.000 17.000 12.516 9.936 14.997 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLN CB 1 54 VAL H . 7.000 17.000 14.356 10.135 16.727 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLN CB 1 55 VAL H . 7.000 17.000 14.132 11.022 16.260 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLN CB 1 56 ALA H . 7.000 17.000 12.937 10.738 14.858 . 0 0 "[ . 1 . 2]" 1
35 1 3 GLN CB 1 57 THR H . 7.000 17.000 14.967 12.710 16.703 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLN CB 1 58 VAL H . 11.000 21.000 17.035 14.813 19.052 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLN CB 1 59 ILE H . . 21.000 16.582 14.555 18.685 . 0 0 "[ . 1 . 2]" 1
38 1 3 GLN CB 1 60 ASN H . . 21.000 16.813 13.542 18.648 . 0 0 "[ . 1 . 2]" 1
39 1 3 GLN CB 1 61 VAL H . 11.000 21.000 19.357 15.981 20.987 . 0 0 "[ . 1 . 2]" 1
40 1 3 GLN CB 1 62 VAL H . 14.000 25.000 20.829 17.337 22.826 . 0 0 "[ . 1 . 2]" 1
41 1 3 GLN CB 1 63 SER H . . 25.000 20.594 16.137 22.471 . 0 0 "[ . 1 . 2]" 1
42 1 3 GLN CB 1 92 VAL H . 14.000 25.000 20.057 17.189 22.380 . 0 0 "[ . 1 . 2]" 1
43 1 3 GLN CB 1 93 GLY H . 14.000 25.000 19.357 15.549 22.428 . 0 0 "[ . 1 . 2]" 1
44 1 3 GLN CB 1 94 LEU H . 14.000 25.000 18.826 15.684 22.332 . 0 0 "[ . 1 . 2]" 1
45 1 3 GLN CB 1 95 VAL H . 11.000 21.000 16.880 14.421 20.113 . 0 0 "[ . 1 . 2]" 1
46 1 3 GLN CB 1 97 GLY H . 11.000 21.000 15.232 11.564 18.813 . 0 0 "[ . 1 . 2]" 1
47 1 3 GLN CB 1 98 ASN H . 11.000 21.000 14.566 12.078 18.431 . 0 0 "[ . 1 . 2]" 1
48 1 3 GLN CB 1 99 LEU H . 7.000 17.000 12.322 9.326 16.378 . 0 0 "[ . 1 . 2]" 1
49 1 3 GLN CB 1 100 THR H . 11.000 17.000 11.599 7.980 15.000 3.020 16 3 "[ * . 1- .+ 2]" 1
50 1 3 GLN CB 1 101 ALA H . 7.000 21.000 12.192 9.018 17.319 . 0 0 "[ . 1 . 2]" 1
51 1 3 GLN CB 1 102 GLY H . 7.000 17.000 11.151 7.470 16.996 . 0 0 "[ . 1 . 2]" 1
52 1 3 GLN CB 1 103 VAL H . . 17.000 9.175 5.800 14.830 . 0 0 "[ . 1 . 2]" 1
53 1 3 GLN H 1 106 GLN CB . . 21.000 14.036 7.608 20.721 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLN H 1 14 SER CB . 7.000 17.000 14.627 13.198 15.774 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLN H 1 53 SER CB . . 11.000 8.502 7.268 9.835 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLN H 1 106 GLN CB . . 21.000 13.698 6.483 18.681 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLY H 1 14 SER CB . . 14.000 11.622 10.712 12.707 . 0 0 "[ . 1 . 2]" 1
58 1 6 GLY H 1 53 SER CB . . 14.000 11.112 10.925 11.944 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLY H 1 106 GLN CB . 7.000 21.000 14.752 10.576 18.121 . 0 0 "[ . 1 . 2]" 1
60 1 7 SER H 1 14 SER CB . . 14.000 11.168 10.789 11.600 . 0 0 "[ . 1 . 2]" 1
61 1 7 SER H 1 53 SER CB . . 17.000 14.445 13.403 15.286 . 0 0 "[ . 1 . 2]" 1
62 1 8 VAL H 1 14 SER CB . . 11.000 10.335 9.977 10.559 . 0 0 "[ . 1 . 2]" 1
63 1 8 VAL H 1 53 SER CB . 7.000 17.000 14.321 13.018 16.182 . 0 0 "[ . 1 . 2]" 1
64 1 8 VAL H 1 106 GLN CB . 11.000 21.000 16.941 13.649 20.704 . 0 0 "[ . 1 . 2]" 1
65 1 9 VAL H 1 14 SER CB . . 11.000 9.438 9.235 9.681 . 0 0 "[ . 1 . 2]" 1
66 1 9 VAL H 1 53 SER CB . 7.000 17.000 12.741 11.884 14.407 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL H 1 106 GLN CB . 11.000 21.000 17.180 12.942 20.304 . 0 0 "[ . 1 . 2]" 1
68 1 10 ALA H 1 14 SER CB . . 9.000 7.422 7.153 7.751 . 0 0 "[ . 1 . 2]" 1
69 1 10 ALA H 1 30 ALA CB . 14.000 25.000 22.685 20.450 25.004 0.004 12 0 "[ . 1 . 2]" 1
70 1 10 ALA H 1 53 SER CB . 7.000 17.000 14.306 13.845 15.146 . 0 0 "[ . 1 . 2]" 1
71 1 10 ALA H 1 106 GLN CB . 11.000 21.000 17.476 13.865 19.957 . 0 0 "[ . 1 . 2]" 1
72 1 11 ALA H 1 14 SER CB . . 7.000 5.642 5.337 5.851 . 0 0 "[ . 1 . 2]" 1
73 1 11 ALA H 1 30 ALA CB . 14.000 25.000 21.984 19.171 24.650 . 0 0 "[ . 1 . 2]" 1
74 1 11 ALA H 1 53 SER CB . 11.000 21.000 16.642 15.983 17.816 . 0 0 "[ . 1 . 2]" 1
75 1 11 ALA H 1 106 GLN CB . 14.000 25.000 19.687 16.450 22.372 . 0 0 "[ . 1 . 2]" 1
76 1 12 ALA H 1 14 SER CB . . 7.000 5.806 5.492 5.996 . 0 0 "[ . 1 . 2]" 1
77 1 12 ALA H 1 30 ALA CB . 14.000 25.000 19.754 16.833 22.584 . 0 0 "[ . 1 . 2]" 1
78 1 12 ALA H 1 53 SER CB . 11.000 21.000 16.302 15.186 18.151 . 0 0 "[ . 1 . 2]" 1
79 1 12 ALA H 1 106 GLN CB . 14.000 25.000 21.365 17.460 24.117 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU H 1 14 SER CB . . 7.000 5.217 5.129 5.377 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU H 1 30 ALA CB . 11.000 21.000 18.131 15.779 20.608 . 0 0 "[ . 1 . 2]" 1
82 1 13 LEU H 1 53 SER CB . 11.000 21.000 15.928 14.885 17.337 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU H 1 74 THR CB . 14.000 25.000 21.534 18.411 23.976 . 0 0 "[ . 1 . 2]" 1
84 1 14 SER CB 1 15 ALA H . . 7.000 2.960 2.818 3.109 . 0 0 "[ . 1 . 2]" 1
85 1 14 SER CB 1 16 VAL H . . 7.000 5.200 4.945 5.469 . 0 0 "[ . 1 . 2]" 1
86 1 14 SER CB 1 17 ILE H . . 7.000 5.311 4.976 5.634 . 0 0 "[ . 1 . 2]" 1
87 1 14 SER CB 1 18 THR H . . 7.000 5.216 5.026 5.426 . 0 0 "[ . 1 . 2]" 1
88 1 14 SER CB 1 19 LEU H . . 9.000 7.356 7.158 7.605 . 0 0 "[ . 1 . 2]" 1
89 1 14 SER CB 1 20 ILE H . . 11.000 9.258 8.962 9.443 . 0 0 "[ . 1 . 2]" 1
90 1 14 SER CB 1 21 ALA H . . 11.000 9.772 9.610 9.979 . 0 0 "[ . 1 . 2]" 1
91 1 14 SER CB 1 22 MET H . . 14.000 10.907 10.673 11.346 . 0 0 "[ . 1 . 2]" 1
92 1 14 SER CB 1 23 GLN H . . 14.000 12.931 12.624 13.445 . 0 0 "[ . 1 . 2]" 1
93 1 14 SER CB 1 24 TRP H . 7.000 17.000 14.376 14.145 14.683 . 0 0 "[ . 1 . 2]" 1
94 1 14 SER CB 1 25 LEU H . 7.000 17.000 15.276 14.980 15.772 . 0 0 "[ . 1 . 2]" 1
95 1 14 SER CB 1 26 MET H . 11.000 21.000 17.302 16.391 19.118 . 0 0 "[ . 1 . 2]" 1
96 1 14 SER CB 1 27 ALA H . 14.000 25.000 19.592 18.084 21.761 . 0 0 "[ . 1 . 2]" 1
97 1 14 SER CB 1 28 PHE H . 14.000 25.000 20.681 17.961 22.152 . 0 0 "[ . 1 . 2]" 1
98 1 14 SER CB 1 29 ASP H . 14.000 25.000 20.757 17.609 24.162 . 0 0 "[ . 1 . 2]" 1
99 1 14 SER H 1 30 ALA CB . 11.000 21.000 18.277 16.002 20.547 . 0 0 "[ . 1 . 2]" 1
100 1 14 SER CB 1 30 ALA H . 14.000 25.000 20.209 16.301 22.683 . 0 0 "[ . 1 . 2]" 1
101 1 14 SER CB 1 31 ALA H . 14.000 25.000 20.438 16.548 22.874 . 0 0 "[ . 1 . 2]" 1
102 1 14 SER CB 1 32 ASN H . 14.000 25.000 21.351 18.372 23.074 . 0 0 "[ . 1 . 2]" 1
103 1 14 SER CB 1 33 LEU H . 11.000 21.000 20.050 18.900 21.019 0.019 10 0 "[ . 1 . 2]" 1
104 1 14 SER CB 1 34 VAL H . 11.000 21.000 18.806 17.076 20.737 . 0 0 "[ . 1 . 2]" 1
105 1 14 SER CB 1 35 MET H . 11.000 21.000 18.629 17.497 19.846 . 0 0 "[ . 1 . 2]" 1
106 1 14 SER CB 1 36 LEU H . 11.000 21.000 17.015 15.500 17.951 . 0 0 "[ . 1 . 2]" 1
107 1 14 SER CB 1 37 TYR H . 7.000 17.000 15.476 14.959 17.067 0.067 19 0 "[ . 1 . 2]" 1
108 1 14 SER CB 1 38 LEU H . 7.000 17.000 15.571 13.440 16.757 . 0 0 "[ . 1 . 2]" 1
109 1 14 SER CB 1 39 LEU H . 7.000 17.000 15.301 13.970 16.321 . 0 0 "[ . 1 . 2]" 1
110 1 14 SER CB 1 40 GLY H . 7.000 17.000 13.402 12.498 14.307 . 0 0 "[ . 1 . 2]" 1
111 1 14 SER CB 1 41 VAL H . 7.000 17.000 12.722 11.087 14.832 . 0 0 "[ . 1 . 2]" 1
112 1 14 SER CB 1 42 VAL H . 7.000 17.000 13.775 11.736 15.289 . 0 0 "[ . 1 . 2]" 1
113 1 14 SER CB 1 43 VAL H . . 14.000 13.242 10.911 14.270 0.270 8 0 "[ . 1 . 2]" 1
114 1 14 SER CB 1 44 VAL H . . 14.000 11.824 11.210 12.060 . 0 0 "[ . 1 . 2]" 1
115 1 14 SER CB 1 45 ALA H . . 14.000 12.757 10.512 14.022 0.022 11 0 "[ . 1 . 2]" 1
116 1 14 SER CB 1 46 LEU H . 7.000 17.000 14.252 12.531 15.678 . 0 0 "[ . 1 . 2]" 1
117 1 14 SER CB 1 47 PHE H . 7.000 17.000 13.728 11.540 15.114 . 0 0 "[ . 1 . 2]" 1
118 1 14 SER CB 1 48 TYR H . 7.000 17.000 13.746 12.399 14.606 . 0 0 "[ . 1 . 2]" 1
119 1 14 SER CB 1 49 GLY H . 7.000 17.000 15.411 13.313 17.101 0.101 15 0 "[ . 1 . 2]" 1
120 1 14 SER CB 1 50 ARG H . 11.000 21.000 17.906 15.982 21.071 0.071 17 0 "[ . 1 . 2]" 1
121 1 14 SER CB 1 51 TRP H . 14.000 25.000 19.473 17.869 22.635 . 0 0 "[ . 1 . 2]" 1
122 1 14 SER H 1 53 SER CB . 11.000 21.000 18.335 17.299 19.307 . 0 0 "[ . 1 . 2]" 1
123 1 14 SER CB 1 53 SER H . 14.000 25.000 20.745 18.230 22.854 . 0 0 "[ . 1 . 2]" 1
124 1 14 SER CB 1 54 VAL H . 14.000 25.000 21.560 18.069 23.083 . 0 0 "[ . 1 . 2]" 1
125 1 14 SER CB 1 55 VAL H . 11.000 21.000 19.533 16.031 21.009 0.009 2 0 "[ . 1 . 2]" 1
126 1 14 SER CB 1 56 ALA H . 11.000 21.000 17.831 16.304 18.838 . 0 0 "[ . 1 . 2]" 1
127 1 14 SER CB 1 57 THR H . 11.000 21.000 19.422 18.088 20.464 . 0 0 "[ . 1 . 2]" 1
128 1 14 SER CB 1 58 VAL H . 11.000 21.000 19.601 16.627 20.790 . 0 0 "[ . 1 . 2]" 1
129 1 14 SER CB 1 59 ILE H . 11.000 21.000 17.123 14.487 18.257 . 0 0 "[ . 1 . 2]" 1
130 1 14 SER CB 1 60 ASN H . 11.000 21.000 17.136 16.032 18.181 . 0 0 "[ . 1 . 2]" 1
131 1 14 SER CB 1 61 VAL H . 11.000 21.000 19.331 18.280 20.494 . 0 0 "[ . 1 . 2]" 1
132 1 14 SER CB 1 62 VAL H . 11.000 21.000 18.851 17.050 19.968 . 0 0 "[ . 1 . 2]" 1
133 1 14 SER CB 1 63 SER H . 11.000 21.000 17.031 16.387 17.951 . 0 0 "[ . 1 . 2]" 1
134 1 14 SER CB 1 64 PHE H . 11.000 21.000 18.719 17.004 19.936 . 0 0 "[ . 1 . 2]" 1
135 1 14 SER CB 1 65 ASP H . 14.000 25.000 20.708 19.728 21.996 . 0 0 "[ . 1 . 2]" 1
136 1 14 SER CB 1 66 LEU H . 11.000 21.000 19.618 18.186 20.544 . 0 0 "[ . 1 . 2]" 1
137 1 14 SER CB 1 67 PHE H . 11.000 21.000 19.475 17.785 20.604 . 0 0 "[ . 1 . 2]" 1
138 1 14 SER CB 1 68 PHE H . 14.000 25.000 21.161 19.810 22.720 . 0 0 "[ . 1 . 2]" 1
139 1 14 SER CB 1 69 ILE H . 14.000 25.000 21.853 19.818 23.235 . 0 0 "[ . 1 . 2]" 1
140 1 14 SER CB 1 70 ALA H . 11.000 21.000 20.433 19.218 21.043 0.043 9 0 "[ . 1 . 2]" 1
141 1 14 SER H 1 74 THR CB . 14.000 25.000 21.594 18.450 24.628 . 0 0 "[ . 1 . 2]" 1
142 1 14 SER CB 1 81 GLN H . 17.000 25.000 23.011 20.625 24.468 . 0 0 "[ . 1 . 2]" 1
143 1 14 SER CB 1 82 TYR H . 17.000 25.000 21.696 18.225 23.618 . 0 0 "[ . 1 . 2]" 1
144 1 14 SER CB 1 83 LEU H . 17.000 25.000 21.532 18.254 23.806 . 0 0 "[ . 1 . 2]" 1
145 1 14 SER CB 1 84 LEU H . 17.000 25.000 20.416 17.881 22.281 . 0 0 "[ . 1 . 2]" 1
146 1 14 SER CB 1 85 THR H . 17.000 25.000 18.264 15.920 19.723 1.080 4 2 "[ +.- 1 . 2]" 1
147 1 14 SER CB 1 86 PHE H . 17.000 25.000 17.596 14.346 19.706 2.654 4 5 "[ *+. * 1 .* -2]" 1
148 1 14 SER CB 1 87 ALA H . 19.000 25.000 17.674 14.871 19.898 4.129 3 13 "[ +*-** **** ** **2]" 1
149 1 14 SER CB 1 89 MET H . 14.000 19.000 14.246 11.720 15.836 2.280 4 5 "[ *+.* 1 .* -2]" 1
150 1 14 SER CB 1 90 LEU H . 14.000 21.000 14.540 11.070 16.947 2.930 3 6 "[ +*. * -* .* 2]" 1
151 1 14 SER CB 1 91 THR H . 17.000 25.000 14.629 12.803 16.470 4.197 3 20 [**+*********-*******] 1
152 1 14 SER CB 1 92 VAL H . 14.000 19.000 12.712 10.513 14.059 3.487 6 14 "[* **.+ * -** *** ***]" 1
153 1 14 SER CB 1 93 GLY H . 11.000 17.000 11.989 9.706 14.231 1.294 4 3 "[ *+. 1 .- 2]" 1
154 1 14 SER CB 1 94 LEU H . 14.000 19.000 13.407 11.213 15.487 2.787 3 10 "[ +**** ** - .* *2]" 1
155 1 14 SER CB 1 95 VAL H . 14.000 19.000 13.211 11.245 14.665 2.755 6 13 "[* **.+* *** ** *-*]" 1
156 1 14 SER CB 1 96 ILE H . 14.000 19.000 11.583 9.967 12.523 4.033 12 20 [******-****+********] 1
157 1 14 SER CB 1 97 GLY H . 14.000 19.000 12.576 10.955 14.386 3.045 9 14 "[ ***** +* *-*.* ***]" 1
158 1 14 SER CB 1 98 ASN H . 17.000 21.000 14.400 13.085 16.043 3.915 9 20 [********+*******-***] 1
159 1 14 SER CB 1 99 LEU H . 17.000 21.000 13.960 12.133 15.029 4.867 1 20 [+***********-*******] 1
160 1 14 SER CB 1 100 THR H . 14.000 19.000 13.486 12.201 14.021 1.799 12 10 "[* ** *- + ** * *]" 1
161 1 14 SER CB 1 101 ALA H . 17.000 21.000 15.506 13.314 16.780 3.686 9 17 "[* ***** +* **-******]" 1
162 1 14 SER CB 1 102 GLY H . 19.000 25.000 17.005 15.540 18.243 3.460 1 20 [+***********-*******] 1
163 1 14 SER CB 1 103 VAL H . 19.000 25.000 16.630 14.714 18.173 4.286 1 20 [+**-****************] 1
164 1 14 SER CB 1 105 TYR H . 17.000 25.000 20.401 19.252 21.687 . 0 0 "[ . 1 . 2]" 1
165 1 14 SER H 1 106 GLN CB . 14.000 25.000 22.574 18.775 24.412 . 0 0 "[ . 1 . 2]" 1
166 1 14 SER CB 1 106 GLN H . 14.000 25.000 22.744 21.191 24.415 . 0 0 "[ . 1 . 2]" 1
167 1 15 ALA H 1 30 ALA CB . 11.000 21.000 16.979 14.305 19.809 . 0 0 "[ . 1 . 2]" 1
168 1 15 ALA H 1 53 SER CB . 14.000 25.000 20.096 18.858 21.596 . 0 0 "[ . 1 . 2]" 1
169 1 15 ALA H 1 74 THR CB . 14.000 25.000 20.623 17.265 23.177 . 0 0 "[ . 1 . 2]" 1
170 1 16 VAL H 1 30 ALA CB . 7.000 17.000 14.467 11.781 17.233 0.233 12 0 "[ . 1 . 2]" 1
171 1 16 VAL H 1 53 SER CB . 14.000 25.000 19.774 18.453 21.565 . 0 0 "[ . 1 . 2]" 1
172 1 16 VAL H 1 74 THR CB . 11.000 21.000 18.112 14.970 20.640 . 0 0 "[ . 1 . 2]" 1
173 1 17 ILE H 1 30 ALA CB . 7.000 17.000 14.086 11.970 16.250 . 0 0 "[ . 1 . 2]" 1
174 1 17 ILE H 1 53 SER CB . 14.000 25.000 20.599 19.592 22.083 . 0 0 "[ . 1 . 2]" 1
175 1 17 ILE H 1 74 THR CB . 11.000 21.000 17.221 13.824 21.103 0.103 8 0 "[ . 1 . 2]" 1
176 1 18 THR H 1 30 ALA CB . 7.000 17.000 14.564 12.358 16.595 . 0 0 "[ . 1 . 2]" 1
177 1 18 THR H 1 53 SER CB . 14.000 25.000 23.112 22.135 24.386 . 0 0 "[ . 1 . 2]" 1
178 1 18 THR H 1 74 THR CB . 11.000 25.000 17.723 13.648 21.724 . 0 0 "[ . 1 . 2]" 1
179 1 19 LEU H 1 30 ALA CB . 7.000 17.000 12.638 9.990 15.270 . 0 0 "[ . 1 . 2]" 1
180 1 19 LEU H 1 74 THR CB . 11.000 21.000 16.112 11.854 19.569 . 0 0 "[ . 1 . 2]" 1
181 1 20 ILE H 1 30 ALA CB . . 14.000 10.509 8.229 12.736 . 0 0 "[ . 1 . 2]" 1
182 1 20 ILE H 1 74 THR CB . 7.000 21.000 13.662 9.416 17.741 . 0 0 "[ . 1 . 2]" 1
183 1 21 ALA H 1 30 ALA CB . . 14.000 11.725 8.984 14.025 0.025 7 0 "[ . 1 . 2]" 1
184 1 21 ALA H 1 74 THR CB . 7.000 21.000 14.208 9.261 19.414 . 0 0 "[ . 1 . 2]" 1
185 1 22 MET H 1 30 ALA CB . . 14.000 12.244 9.915 14.023 0.023 12 0 "[ . 1 . 2]" 1
186 1 22 MET H 1 74 THR CB . 7.000 21.000 14.841 9.473 19.595 . 0 0 "[ . 1 . 2]" 1
187 1 23 GLN H 1 30 ALA CB . . 14.000 10.038 8.262 11.961 . 0 0 "[ . 1 . 2]" 1
188 1 23 GLN H 1 74 THR CB . 11.000 17.000 12.652 7.021 17.080 3.979 10 2 "[ -. + . 2]" 1
189 1 24 TRP H 1 30 ALA CB . . 14.000 9.640 6.063 12.163 . 0 0 "[ . 1 . 2]" 1
190 1 25 LEU H 1 30 ALA CB . . 14.000 11.810 7.914 14.027 0.027 7 0 "[ . 1 . 2]" 1
191 1 25 LEU H 1 74 THR CB . 7.000 21.000 13.145 7.286 19.196 . 0 0 "[ . 1 . 2]" 1
192 1 26 MET H 1 30 ALA CB . . 14.000 11.766 9.041 13.553 . 0 0 "[ . 1 . 2]" 1
193 1 26 MET H 1 74 THR CB . . 21.000 13.007 6.467 18.554 . 0 0 "[ . 1 . 2]" 1
194 1 27 ALA H 1 30 ALA CB . . 14.000 11.008 8.957 12.571 . 0 0 "[ . 1 . 2]" 1
195 1 27 ALA H 1 74 THR CB . 7.000 17.000 11.845 8.592 16.868 . 0 0 "[ . 1 . 2]" 1
196 1 28 PHE H 1 30 ALA CB . . 11.000 8.810 7.549 10.145 . 0 0 "[ . 1 . 2]" 1
197 1 28 PHE H 1 74 THR CB . . 14.000 9.247 5.051 14.160 0.160 8 0 "[ . 1 . 2]" 1
198 1 29 ASP H 1 30 ALA CB . . 7.000 6.346 5.639 6.752 . 0 0 "[ . 1 . 2]" 1
199 1 29 ASP H 1 74 THR CB . . 11.000 6.869 3.825 10.807 . 0 0 "[ . 1 . 2]" 1
200 1 30 ALA CB 1 31 ALA H . . 7.000 3.774 2.590 4.019 . 0 0 "[ . 1 . 2]" 1
201 1 30 ALA CB 1 32 ASN H . . 9.000 6.253 4.501 7.085 . 0 0 "[ . 1 . 2]" 1
202 1 30 ALA CB 1 33 LEU H . . 9.000 6.770 3.536 8.958 . 0 0 "[ . 1 . 2]" 1
203 1 30 ALA CB 1 34 VAL H . . 11.000 6.338 3.746 9.911 . 0 0 "[ . 1 . 2]" 1
204 1 30 ALA CB 1 35 MET H . . 11.000 7.386 4.998 10.369 . 0 0 "[ . 1 . 2]" 1
205 1 30 ALA CB 1 36 LEU H . . 11.000 8.405 6.543 10.223 . 0 0 "[ . 1 . 2]" 1
206 1 30 ALA CB 1 37 TYR H . . 11.000 8.229 6.685 9.731 . 0 0 "[ . 1 . 2]" 1
207 1 30 ALA CB 1 38 LEU H . . 14.000 8.584 5.706 11.669 . 0 0 "[ . 1 . 2]" 1
208 1 30 ALA CB 1 39 LEU H . . 14.000 10.326 6.053 12.739 . 0 0 "[ . 1 . 2]" 1
209 1 30 ALA CB 1 40 GLY H . . 14.000 11.389 8.887 13.366 . 0 0 "[ . 1 . 2]" 1
210 1 30 ALA CB 1 41 VAL H . . 14.000 11.766 9.415 13.506 . 0 0 "[ . 1 . 2]" 1
211 1 30 ALA CB 1 42 VAL H . 7.000 17.000 13.029 9.215 15.507 . 0 0 "[ . 1 . 2]" 1
212 1 30 ALA CB 1 43 VAL H . 11.000 21.000 14.912 11.231 17.370 . 0 0 "[ . 1 . 2]" 1
213 1 30 ALA CB 1 44 VAL H . 11.000 21.000 15.840 13.312 18.254 . 0 0 "[ . 1 . 2]" 1
214 1 30 ALA CB 1 45 ALA H . 11.000 21.000 16.587 13.707 18.636 . 0 0 "[ . 1 . 2]" 1
215 1 30 ALA CB 1 46 LEU H . 11.000 21.000 18.214 14.212 20.719 . 0 0 "[ . 1 . 2]" 1
216 1 30 ALA CB 1 47 PHE H . 14.000 25.000 19.888 16.450 22.435 . 0 0 "[ . 1 . 2]" 1
217 1 30 ALA CB 1 48 TYR H . 14.000 25.000 20.708 17.996 23.091 . 0 0 "[ . 1 . 2]" 1
218 1 30 ALA CB 1 49 GLY H . 14.000 25.000 22.033 18.530 24.834 . 0 0 "[ . 1 . 2]" 1
219 1 30 ALA CB 1 56 ALA H . 14.000 25.000 23.296 21.916 24.177 . 0 0 "[ . 1 . 2]" 1
220 1 30 ALA CB 1 57 THR H . . 25.000 22.627 21.148 23.383 . 0 0 "[ . 1 . 2]" 1
221 1 30 ALA CB 1 58 VAL H . 14.000 25.000 21.419 18.965 22.105 . 0 0 "[ . 1 . 2]" 1
222 1 30 ALA CB 1 59 ILE H . 11.000 21.000 19.250 16.984 19.989 . 0 0 "[ . 1 . 2]" 1
223 1 30 ALA CB 1 60 ASN H . . 21.000 18.055 16.891 18.840 . 0 0 "[ . 1 . 2]" 1
224 1 30 ALA CB 1 61 VAL H . . 21.000 17.657 16.272 18.355 . 0 0 "[ . 1 . 2]" 1
225 1 30 ALA CB 1 62 VAL H . . 17.000 16.060 13.823 16.816 . 0 0 "[ . 1 . 2]" 1
226 1 30 ALA CB 1 63 SER H . . 14.000 13.820 12.594 14.061 0.061 12 0 "[ . 1 . 2]" 1
227 1 30 ALA CB 1 64 PHE H . 7.000 17.000 13.446 12.002 14.623 . 0 0 "[ . 1 . 2]" 1
228 1 30 ALA CB 1 65 ASP H . . 17.000 13.181 11.593 14.519 . 0 0 "[ . 1 . 2]" 1
229 1 30 ALA CB 1 66 LEU H . . 14.000 11.060 9.081 12.392 . 0 0 "[ . 1 . 2]" 1
230 1 30 ALA CB 1 67 PHE H . . 11.000 9.522 8.274 11.223 0.223 14 0 "[ . 1 . 2]" 1
231 1 30 ALA CB 1 68 PHE H . . 11.000 7.554 5.543 9.780 . 0 0 "[ . 1 . 2]" 1
232 1 30 ALA CB 1 69 ILE H . . 9.000 7.362 5.086 9.274 0.274 8 0 "[ . 1 . 2]" 1
233 1 30 ALA CB 1 70 ALA H . . 7.000 5.218 2.586 6.688 . 0 0 "[ . 1 . 2]" 1
234 1 30 ALA CB 1 72 ARG H . . 11.000 6.840 3.769 9.505 . 0 0 "[ . 1 . 2]" 1
235 1 30 ALA CB 1 73 GLY H . . 11.000 6.959 2.946 9.731 . 0 0 "[ . 1 . 2]" 1
236 1 30 ALA H 1 74 THR CB . . 7.000 4.842 2.621 7.122 0.122 3 0 "[ . 1 . 2]" 1
237 1 30 ALA CB 1 74 THR H . . 9.000 6.384 4.839 8.923 . 0 0 "[ . 1 . 2]" 1
238 1 30 ALA CB 1 75 LEU H . . 11.000 8.034 6.056 10.568 . 0 0 "[ . 1 . 2]" 1
239 1 30 ALA CB 1 76 ALA H . . 14.000 9.896 7.135 13.992 . 0 0 "[ . 1 . 2]" 1
240 1 30 ALA CB 1 77 VAL H . . 14.000 11.865 7.322 13.931 . 0 0 "[ . 1 . 2]" 1
241 1 30 ALA CB 1 78 SER H . 7.000 17.000 13.624 9.786 17.043 0.043 11 0 "[ . 1 . 2]" 1
242 1 30 ALA CB 1 79 ASP H . 7.000 21.000 14.883 10.185 17.704 . 0 0 "[ . 1 . 2]" 1
243 1 30 ALA CB 1 80 VAL H . 7.000 17.000 14.255 9.055 17.233 0.233 7 0 "[ . 1 . 2]" 1
244 1 30 ALA CB 1 81 GLN H . . 17.000 12.380 6.379 15.533 . 0 0 "[ . 1 . 2]" 1
245 1 30 ALA CB 1 82 TYR H . 7.000 21.000 12.951 7.899 17.517 . 0 0 "[ . 1 . 2]" 1
246 1 30 ALA CB 1 83 LEU H . 7.000 17.000 14.148 9.792 16.513 . 0 0 "[ . 1 . 2]" 1
247 1 30 ALA CB 1 84 LEU H . 7.000 17.000 13.208 8.687 16.677 . 0 0 "[ . 1 . 2]" 1
248 1 30 ALA CB 1 85 THR H . 7.000 17.000 12.403 7.979 15.929 . 0 0 "[ . 1 . 2]" 1
249 1 30 ALA CB 1 86 PHE H . 11.000 21.000 14.157 10.677 17.539 0.323 8 0 "[ . 1 . 2]" 1
250 1 30 ALA CB 1 87 ALA H . 11.000 21.000 15.221 12.104 17.739 . 0 0 "[ . 1 . 2]" 1
251 1 30 ALA CB 1 88 VAL H . 7.000 21.000 14.432 11.310 17.779 . 0 0 "[ . 1 . 2]" 1
252 1 30 ALA CB 1 89 MET H . 11.000 21.000 15.003 12.567 18.490 . 0 0 "[ . 1 . 2]" 1
253 1 30 ALA CB 1 90 LEU H . 11.000 21.000 17.210 15.159 19.648 . 0 0 "[ . 1 . 2]" 1
254 1 30 ALA CB 1 91 THR H . 11.000 21.000 17.829 15.027 20.771 . 0 0 "[ . 1 . 2]" 1
255 1 30 ALA CB 1 92 VAL H . 11.000 21.000 17.635 15.237 20.629 . 0 0 "[ . 1 . 2]" 1
256 1 30 ALA CB 1 93 GLY H . 14.000 25.000 19.246 17.343 22.296 . 0 0 "[ . 1 . 2]" 1
257 1 30 ALA CB 1 94 LEU H . 14.000 25.000 21.242 19.243 23.212 . 0 0 "[ . 1 . 2]" 1
258 1 30 ALA CB 1 95 VAL H . 14.000 25.000 21.604 18.970 24.712 . 0 0 "[ . 1 . 2]" 1
259 1 30 ALA CB 1 96 ILE H . 14.000 25.000 22.033 19.893 24.352 . 0 0 "[ . 1 . 2]" 1
260 1 31 ALA H 1 74 THR CB . . 9.000 6.807 4.613 8.381 . 0 0 "[ . 1 . 2]" 1
261 1 32 ASN H 1 74 THR CB . . 11.000 9.346 7.711 10.858 . 0 0 "[ . 1 . 2]" 1
262 1 33 LEU H 1 74 THR CB . . 14.000 10.355 8.087 13.261 . 0 0 "[ . 1 . 2]" 1
263 1 34 VAL H 1 74 THR CB . . 14.000 10.465 7.782 13.310 . 0 0 "[ . 1 . 2]" 1
264 1 35 MET H 1 74 THR CB . . 17.000 11.780 8.459 15.140 . 0 0 "[ . 1 . 2]" 1
265 1 36 LEU H 1 74 THR CB . 7.000 17.000 12.944 11.189 16.075 . 0 0 "[ . 1 . 2]" 1
266 1 37 TYR H 1 74 THR CB . . 14.000 12.772 9.908 14.295 0.295 13 0 "[ . 1 . 2]" 1
267 1 38 LEU H 1 74 THR CB . 7.000 17.000 13.217 10.643 16.812 . 0 0 "[ . 1 . 2]" 1
268 1 39 LEU H 1 53 SER CB . 14.000 25.000 23.692 22.048 25.126 0.126 3 0 "[ . 1 . 2]" 1
269 1 39 LEU H 1 74 THR CB . 11.000 21.000 15.014 12.443 17.563 . 0 0 "[ . 1 . 2]" 1
270 1 40 GLY H 1 53 SER CB . 14.000 25.000 22.450 20.325 24.778 . 0 0 "[ . 1 . 2]" 1
271 1 40 GLY H 1 74 THR CB . 7.000 21.000 15.977 13.006 17.969 . 0 0 "[ . 1 . 2]" 1
272 1 41 VAL H 1 53 SER CB . 14.000 25.000 20.321 17.627 22.952 . 0 0 "[ . 1 . 2]" 1
273 1 41 VAL H 1 74 THR CB . 7.000 21.000 16.123 13.439 17.800 . 0 0 "[ . 1 . 2]" 1
274 1 42 VAL H 1 53 SER CB . 11.000 21.000 19.318 17.704 20.831 . 0 0 "[ . 1 . 2]" 1
275 1 42 VAL H 1 74 THR CB . 11.000 21.000 17.388 15.113 20.116 . 0 0 "[ . 1 . 2]" 1
276 1 43 VAL H 1 53 SER CB . 11.000 21.000 18.955 17.790 20.332 . 0 0 "[ . 1 . 2]" 1
277 1 43 VAL H 1 74 THR CB . 14.000 25.000 19.305 17.133 21.868 . 0 0 "[ . 1 . 2]" 1
278 1 44 VAL H 1 53 SER CB . 11.000 21.000 17.285 15.590 19.630 . 0 0 "[ . 1 . 2]" 1
279 1 44 VAL H 1 74 THR CB . 14.000 25.000 20.031 16.703 22.206 . 0 0 "[ . 1 . 2]" 1
280 1 45 ALA H 1 53 SER CB . 11.000 21.000 15.292 13.742 17.295 . 0 0 "[ . 1 . 2]" 1
281 1 45 ALA H 1 74 THR CB . 14.000 25.000 20.571 18.618 23.279 . 0 0 "[ . 1 . 2]" 1
282 1 46 LEU H 1 53 SER CB . . 17.000 15.047 13.299 16.646 . 0 0 "[ . 1 . 2]" 1
283 1 47 PHE H 1 53 SER CB . 7.000 17.000 14.545 12.796 16.305 . 0 0 "[ . 1 . 2]" 1
284 1 48 TYR H 1 53 SER CB . 7.000 17.000 12.503 10.645 15.328 . 0 0 "[ . 1 . 2]" 1
285 1 48 TYR H 1 106 GLN CB . 21.000 25.000 22.156 18.660 25.357 2.340 14 4 "[ - . * +. *]" 1
286 1 49 GLY H 1 53 SER CB . . 14.000 11.188 9.701 12.678 . 0 0 "[ . 1 . 2]" 1
287 1 49 GLY H 1 106 GLN CB . 21.000 25.000 21.488 16.640 25.499 4.360 14 6 "[ ** . - * +. *]" 1
288 1 50 ARG H 1 53 SER CB . . 11.000 8.708 5.446 10.290 . 0 0 "[ . 1 . 2]" 1
289 1 51 TRP H 1 53 SER CB . . 9.000 7.365 5.636 8.431 . 0 0 "[ . 1 . 2]" 1
290 1 51 TRP H 1 106 GLN CB . 17.000 25.000 18.198 14.536 25.140 2.464 10 6 "[ * . - + *. * *]" 1
291 1 53 SER CB 1 54 VAL H . . 7.000 3.307 2.350 4.019 . 0 0 "[ . 1 . 2]" 1
292 1 53 SER CB 1 55 VAL H . . 7.000 4.116 3.263 4.795 . 0 0 "[ . 1 . 2]" 1
293 1 53 SER CB 1 56 ALA H . . 7.000 4.435 3.336 5.495 . 0 0 "[ . 1 . 2]" 1
294 1 53 SER CB 1 57 THR H . . 7.000 5.733 4.386 6.736 . 0 0 "[ . 1 . 2]" 1
295 1 53 SER CB 1 58 VAL H . . 9.000 7.649 6.847 8.265 . 0 0 "[ . 1 . 2]" 1
296 1 53 SER CB 1 59 ILE H . . 11.000 8.926 7.828 9.937 . 0 0 "[ . 1 . 2]" 1
297 1 53 SER CB 1 60 ASN H . . 11.000 9.966 8.303 11.075 0.075 10 0 "[ . 1 . 2]" 1
298 1 53 SER CB 1 61 VAL H . . 14.000 11.565 10.115 12.499 . 0 0 "[ . 1 . 2]" 1
299 1 53 SER CB 1 62 VAL H . . 14.000 13.247 12.114 14.115 0.115 6 0 "[ . 1 . 2]" 1
300 1 53 SER CB 1 63 SER H . 7.000 17.000 14.506 13.034 15.593 . 0 0 "[ . 1 . 2]" 1
301 1 53 SER CB 1 64 PHE H . 7.000 17.000 15.784 14.112 16.949 . 0 0 "[ . 1 . 2]" 1
302 1 53 SER CB 1 65 ASP H . 11.000 21.000 17.489 16.290 18.405 . 0 0 "[ . 1 . 2]" 1
303 1 53 SER CB 1 66 LEU H . 11.000 21.000 18.888 17.525 19.818 . 0 0 "[ . 1 . 2]" 1
304 1 53 SER CB 1 67 PHE H . 14.000 25.000 20.224 18.585 21.522 . 0 0 "[ . 1 . 2]" 1
305 1 53 SER CB 1 68 PHE H . 14.000 25.000 23.498 21.619 24.687 . 0 0 "[ . 1 . 2]" 1
306 1 53 SER CB 1 85 THR H . 14.000 25.000 24.579 23.216 25.034 0.034 12 0 "[ . 1 . 2]" 1
307 1 53 SER CB 1 86 PHE H . 14.000 25.000 23.983 22.793 25.025 0.025 16 0 "[ . 1 . 2]" 1
308 1 53 SER CB 1 87 ALA H . 14.000 25.000 22.323 20.698 24.105 . 0 0 "[ . 1 . 2]" 1
309 1 53 SER CB 1 88 VAL H . 14.000 25.000 20.491 18.703 21.850 . 0 0 "[ . 1 . 2]" 1
310 1 53 SER CB 1 89 MET H . 11.000 21.000 20.039 18.753 21.031 0.031 18 0 "[ . 1 . 2]" 1
311 1 53 SER CB 1 90 LEU H . 11.000 21.000 19.470 17.718 20.981 . 0 0 "[ . 1 . 2]" 1
312 1 53 SER CB 1 91 THR H . 11.000 21.000 17.450 15.625 19.549 . 0 0 "[ . 1 . 2]" 1
313 1 53 SER CB 1 92 VAL H . 7.000 17.000 16.159 14.090 16.967 . 0 0 "[ . 1 . 2]" 1
314 1 53 SER CB 1 93 GLY H . 11.000 21.000 16.386 15.053 17.830 . 0 0 "[ . 1 . 2]" 1
315 1 53 SER CB 1 94 LEU H . 11.000 21.000 15.310 12.505 17.342 . 0 0 "[ . 1 . 2]" 1
316 1 53 SER CB 1 95 VAL H . 11.000 17.000 13.237 11.335 15.213 . 0 0 "[ . 1 . 2]" 1
317 1 53 SER CB 1 96 ILE H . 11.000 17.000 13.217 11.443 14.625 . 0 0 "[ . 1 . 2]" 1
318 1 53 SER CB 1 97 GLY H . 11.000 17.000 13.822 11.680 15.250 . 0 0 "[ . 1 . 2]" 1
319 1 53 SER CB 1 98 ASN H . 11.000 17.000 12.445 9.008 15.142 1.992 6 4 "[* .+ 1- * 2]" 1
320 1 53 SER CB 1 99 LEU H . 7.000 14.000 11.077 8.931 12.562 . 0 0 "[ . 1 . 2]" 1
321 1 53 SER CB 1 100 THR H . 11.000 14.000 12.396 10.632 14.257 0.368 13 0 "[ . 1 . 2]" 1
322 1 53 SER CB 1 101 ALA H . 11.000 17.000 13.100 10.378 15.056 0.622 1 1 "[+ . 1 . 2]" 1
323 1 53 SER CB 1 102 GLY H . 11.000 14.000 11.783 9.452 14.033 1.548 1 6 "[+ .* 1** * -]" 1
324 1 53 SER CB 1 103 VAL H . 11.000 14.000 11.792 9.682 12.705 1.318 13 1 "[ . 1 + . 2]" 1
325 1 53 SER CB 1 105 TYR H . 11.000 17.000 14.953 13.125 16.431 . 0 0 "[ . 1 . 2]" 1
326 1 53 SER CB 1 106 GLN H . . 21.000 15.200 12.435 18.311 . 0 0 "[ . 1 . 2]" 1
327 1 53 SER H 1 106 GLN CB . 17.000 25.000 17.722 13.240 23.203 3.760 14 5 "[ - .* * * +. 2]" 1
328 1 53 SER CB 1 107 ALA H . . 21.000 15.984 10.590 19.986 . 0 0 "[ . 1 . 2]" 1
329 1 54 VAL H 1 106 GLN CB . 11.000 25.000 17.838 12.786 23.852 . 0 0 "[ . 1 . 2]" 1
330 1 55 VAL H 1 106 GLN CB . 11.000 25.000 17.024 10.730 22.935 0.270 14 0 "[ . 1 . 2]" 1
331 1 56 ALA H 1 106 GLN CB . 11.000 25.000 17.921 11.583 22.425 . 0 0 "[ . 1 . 2]" 1
332 1 57 THR H 1 106 GLN CB . 11.000 25.000 20.319 14.033 24.863 . 0 0 "[ . 1 . 2]" 1
333 1 58 VAL H 1 74 THR CB . 14.000 25.000 23.285 22.200 24.248 . 0 0 "[ . 1 . 2]" 1
334 1 59 ILE H 1 74 THR CB . 14.000 25.000 21.327 20.058 22.224 . 0 0 "[ . 1 . 2]" 1
335 1 60 ASN H 1 74 THR CB . 11.000 21.000 20.492 19.645 21.064 0.064 18 0 "[ . 1 . 2]" 1
336 1 61 VAL H 1 74 THR CB . 11.000 21.000 19.686 18.761 20.458 . 0 0 "[ . 1 . 2]" 1
337 1 62 VAL H 1 74 THR CB . 11.000 21.000 17.693 16.533 18.938 . 0 0 "[ . 1 . 2]" 1
338 1 63 SER H 1 74 THR CB . 7.000 17.000 15.979 15.045 16.697 . 0 0 "[ . 1 . 2]" 1
339 1 64 PHE H 1 74 THR CB . 7.000 17.000 15.699 14.152 16.812 . 0 0 "[ . 1 . 2]" 1
340 1 65 ASP H 1 74 THR CB . 7.000 17.000 14.673 13.388 15.825 . 0 0 "[ . 1 . 2]" 1
341 1 66 LEU H 1 74 THR CB . . 14.000 12.454 11.080 13.541 . 0 0 "[ . 1 . 2]" 1
342 1 67 PHE H 1 74 THR CB . . 14.000 11.541 9.694 13.422 . 0 0 "[ . 1 . 2]" 1
343 1 68 PHE H 1 74 THR CB . . 14.000 9.227 6.443 12.134 . 0 0 "[ . 1 . 2]" 1
344 1 69 ILE H 1 74 THR CB . . 11.000 8.604 5.094 10.326 . 0 0 "[ . 1 . 2]" 1
345 1 70 ALA H 1 74 THR CB . . 9.000 6.720 3.485 8.949 . 0 0 "[ . 1 . 2]" 1
346 1 72 ARG H 1 74 THR CB . . 9.000 6.516 4.042 7.784 . 0 0 "[ . 1 . 2]" 1
347 1 73 GLY H 1 74 THR CB . . 7.000 5.060 4.173 6.488 . 0 0 "[ . 1 . 2]" 1
348 1 74 THR CB 1 75 LEU H . . 7.000 3.354 2.558 4.037 . 0 0 "[ . 1 . 2]" 1
349 1 74 THR CB 1 76 ALA H . . 7.000 5.589 3.449 6.885 . 0 0 "[ . 1 . 2]" 1
350 1 74 THR CB 1 77 VAL H . . 11.000 7.674 5.577 10.326 . 0 0 "[ . 1 . 2]" 1
351 1 74 THR CB 1 78 SER H . . 14.000 9.667 8.007 12.577 . 0 0 "[ . 1 . 2]" 1
352 1 74 THR CB 1 79 ASP H . . 14.000 11.296 6.985 13.709 . 0 0 "[ . 1 . 2]" 1
353 1 74 THR CB 1 80 VAL H . . 14.000 10.810 8.037 13.772 . 0 0 "[ . 1 . 2]" 1
354 1 74 THR CB 1 81 GLN H . . 14.000 9.405 7.194 13.414 . 0 0 "[ . 1 . 2]" 1
355 1 74 THR CB 1 82 TYR H . . 14.000 10.559 6.068 13.929 . 0 0 "[ . 1 . 2]" 1
356 1 74 THR CB 1 83 LEU H . . 14.000 11.965 8.195 14.011 0.011 16 0 "[ . 1 . 2]" 1
357 1 74 THR CB 1 84 LEU H . . 14.000 11.467 9.199 14.020 0.020 9 0 "[ . 1 . 2]" 1
358 1 74 THR CB 1 85 THR H . . 14.000 11.385 8.557 13.777 . 0 0 "[ . 1 . 2]" 1
359 1 74 THR CB 1 86 PHE H . 7.000 17.000 13.395 10.476 16.008 . 0 0 "[ . 1 . 2]" 1
360 1 74 THR CB 1 87 ALA H . 7.000 17.000 14.646 12.181 16.847 . 0 0 "[ . 1 . 2]" 1
361 1 74 THR CB 1 88 VAL H . 7.000 17.000 14.525 11.291 16.804 . 0 0 "[ . 1 . 2]" 1
362 1 74 THR CB 1 89 MET H . 11.000 21.000 15.519 12.385 17.775 . 0 0 "[ . 1 . 2]" 1
363 1 74 THR CB 1 90 LEU H . 11.000 21.000 17.679 15.085 20.308 . 0 0 "[ . 1 . 2]" 1
364 1 74 THR CB 1 91 THR H . 11.000 21.000 18.549 15.773 20.923 . 0 0 "[ . 1 . 2]" 1
365 1 74 THR CB 1 92 VAL H . 11.000 21.000 18.920 15.710 20.753 . 0 0 "[ . 1 . 2]" 1
366 1 74 THR CB 1 93 GLY H . 14.000 25.000 20.621 17.618 22.687 . 0 0 "[ . 1 . 2]" 1
367 1 74 THR CB 1 94 LEU H . 14.000 25.000 22.530 19.827 24.967 . 0 0 "[ . 1 . 2]" 1
368 1 74 THR CB 1 95 VAL H . 14.000 25.000 23.231 20.396 25.331 0.331 13 0 "[ . 1 . 2]" 1
369 1 93 GLY H 1 106 GLN CB . 14.000 25.000 21.294 16.898 24.927 . 0 0 "[ . 1 . 2]" 1
370 1 94 LEU H 1 106 GLN CB . 14.000 25.000 19.669 14.655 23.379 . 0 0 "[ . 1 . 2]" 1
371 1 95 VAL H 1 106 GLN CB . 11.000 25.000 18.324 13.343 22.220 . 0 0 "[ . 1 . 2]" 1
372 1 96 ILE H 1 106 GLN CB . 11.000 21.000 17.268 13.095 20.586 . 0 0 "[ . 1 . 2]" 1
373 1 97 GLY H 1 106 GLN CB . 11.000 21.000 15.682 11.483 19.216 . 0 0 "[ . 1 . 2]" 1
374 1 98 ASN H 1 106 GLN CB . 7.000 21.000 14.067 9.179 17.844 . 0 0 "[ . 1 . 2]" 1
375 1 99 LEU H 1 106 GLN CB . 7.000 17.000 13.044 8.630 16.564 . 0 0 "[ . 1 . 2]" 1
376 1 100 THR H 1 106 GLN CB . 7.000 17.000 12.095 8.827 15.097 . 0 0 "[ . 1 . 2]" 1
377 1 101 ALA H 1 106 GLN CB . . 14.000 10.249 6.588 13.412 . 0 0 "[ . 1 . 2]" 1
378 1 102 GLY H 1 106 GLN CB . . 14.000 8.873 4.548 12.256 . 0 0 "[ . 1 . 2]" 1
379 1 103 VAL H 1 106 GLN CB . . 11.000 8.512 5.837 10.731 . 0 0 "[ . 1 . 2]" 1
380 1 105 TYR H 1 106 GLN CB . . 7.000 5.531 4.184 6.430 . 0 0 "[ . 1 . 2]" 1
381 1 106 GLN CB 1 107 ALA H . . 7.000 3.320 2.626 4.014 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 208
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 558.190
_Distance_constraint_stats_list.Viol_max 4.651
_Distance_constraint_stats_list.Viol_rms 0.1237
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.9303
_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 GLN 1.972 1.786 19 1 "[ . 1 . +2]"
1 4 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 2.093 0.634 9 1 "[ . +1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.086 0.086 19 0 "[ . 1 . 2]"
1 24 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.089 0.089 5 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.100 0.100 19 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.454 0.454 14 0 "[ . 1 . 2]"
1 43 VAL 0.337 0.337 14 0 "[ . 1 . 2]"
1 44 VAL 2.477 1.553 14 2 "[ . - +. 2]"
1 45 ALA 8.590 4.275 14 5 "[ - . * * +. *]"
1 46 LEU 11.264 4.651 14 6 "[ ** . * +. -*]"
1 47 PHE 0.543 0.326 10 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 1.786 1.786 19 1 "[ . 1 . +2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.090 0.090 17 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ILE 0.090 0.090 17 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 THR 0.089 0.089 5 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ARG 2.093 0.634 9 1 "[ . +1 . 2]"
1 105 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLN 23.665 4.651 14 7 "[ *- . * * +. **]"
1 107 ALA 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 3 GLN CB 1 19 LEU H . 17.000 . 22.749 19.491 25.674 . 0 0 "[ . 1 . 2]" 2
2 1 3 GLN CB 1 20 ILE H . 17.000 . 23.975 20.578 26.931 . 0 0 "[ . 1 . 2]" 2
3 1 3 GLN CB 1 21 ALA H . 21.000 . 25.492 22.484 28.326 . 0 0 "[ . 1 . 2]" 2
4 1 3 GLN CB 1 22 MET H . 21.000 . 27.130 24.111 30.099 . 0 0 "[ . 1 . 2]" 2
5 1 3 GLN CB 1 23 GLN H . 25.000 . 28.406 24.914 31.465 0.086 19 0 "[ . 1 . 2]" 2
6 1 3 GLN CB 1 24 TRP H . 25.000 . 29.737 26.371 32.842 . 0 0 "[ . 1 . 2]" 2
7 1 3 GLN CB 1 25 LEU H . 25.000 . 31.347 28.363 34.346 . 0 0 "[ . 1 . 2]" 2
8 1 3 GLN CB 1 26 MET H . 25.000 . 33.285 29.790 35.881 . 0 0 "[ . 1 . 2]" 2
9 1 3 GLN CB 1 27 ALA H . 25.000 . 35.127 31.607 38.270 . 0 0 "[ . 1 . 2]" 2
10 1 3 GLN CB 1 28 PHE H . 25.000 . 35.454 31.068 37.611 . 0 0 "[ . 1 . 2]" 2
11 1 3 GLN CB 1 29 ASP H . 25.000 . 34.463 27.503 37.963 . 0 0 "[ . 1 . 2]" 2
12 1 3 GLN CB 1 30 ALA H . 25.000 . 32.463 26.632 35.644 . 0 0 "[ . 1 . 2]" 2
13 1 3 GLN H 1 30 ALA CB . 25.000 . 30.138 27.395 33.203 . 0 0 "[ . 1 . 2]" 2
14 1 3 GLN CB 1 31 ALA H . 25.000 . 32.689 25.405 35.434 . 0 0 "[ . 1 . 2]" 2
15 1 3 GLN CB 1 33 LEU H . 25.000 . 32.079 25.075 35.240 . 0 0 "[ . 1 . 2]" 2
16 1 3 GLN CB 1 36 LEU H . 21.000 . 27.849 20.900 31.873 0.100 19 0 "[ . 1 . 2]" 2
17 1 3 GLN CB 1 37 TYR H . 17.000 . 26.277 19.678 30.225 . 0 0 "[ . 1 . 2]" 2
18 1 3 GLN CB 1 38 LEU H . 17.000 . 25.077 17.709 28.303 . 0 0 "[ . 1 . 2]" 2
19 1 3 GLN CB 1 39 LEU H . 14.000 . 23.909 16.237 27.408 . 0 0 "[ . 1 . 2]" 2
20 1 3 GLN CB 1 40 GLY H . 14.000 . 22.207 15.658 26.393 . 0 0 "[ . 1 . 2]" 2
21 1 3 GLN CB 1 41 VAL H . 14.000 . 20.702 14.392 24.217 . 0 0 "[ . 1 . 2]" 2
22 1 3 GLN CB 1 64 PHE H . 19.000 . 21.916 17.214 23.678 1.786 19 1 "[ . 1 . +2]" 2
23 1 3 GLN CB 1 65 ASP H . 17.000 . 24.377 19.825 26.133 . 0 0 "[ . 1 . 2]" 2
24 1 3 GLN CB 1 66 LEU H . 17.000 . 25.091 20.143 27.009 . 0 0 "[ . 1 . 2]" 2
25 1 3 GLN CB 1 67 PHE H . 17.000 . 25.571 20.075 27.447 . 0 0 "[ . 1 . 2]" 2
26 1 3 GLN CB 1 68 PHE H . 21.000 . 28.493 22.617 30.900 . 0 0 "[ . 1 . 2]" 2
27 1 3 GLN CB 1 69 ILE H . 21.000 . 29.580 23.518 32.639 . 0 0 "[ . 1 . 2]" 2
28 1 3 GLN CB 1 72 ARG H . 25.000 . 32.340 26.934 38.966 . 0 0 "[ . 1 . 2]" 2
29 1 3 GLN CB 1 74 THR H . 25.000 . 34.504 28.934 37.821 . 0 0 "[ . 1 . 2]" 2
30 1 3 GLN H 1 74 THR CB . 25.000 . 33.724 30.594 37.135 . 0 0 "[ . 1 . 2]" 2
31 1 3 GLN CB 1 76 ALA H . 25.000 . 37.387 33.038 41.092 . 0 0 "[ . 1 . 2]" 2
32 1 3 GLN CB 1 77 VAL H . 25.000 . 37.789 33.766 41.811 . 0 0 "[ . 1 . 2]" 2
33 1 3 GLN CB 1 78 SER H . 25.000 . 38.120 33.104 41.750 . 0 0 "[ . 1 . 2]" 2
34 1 3 GLN CB 1 79 ASP H . 25.000 . 37.543 33.107 40.685 . 0 0 "[ . 1 . 2]" 2
35 1 3 GLN CB 1 80 VAL H . 25.000 . 36.542 33.319 38.735 . 0 0 "[ . 1 . 2]" 2
36 1 3 GLN CB 1 81 GLN H . 25.000 . 34.614 30.720 36.682 . 0 0 "[ . 1 . 2]" 2
37 1 3 GLN CB 1 82 TYR H . 25.000 . 33.540 29.747 36.216 . 0 0 "[ . 1 . 2]" 2
38 1 3 GLN CB 1 83 LEU H . 25.000 . 32.745 29.172 35.166 . 0 0 "[ . 1 . 2]" 2
39 1 3 GLN CB 1 84 LEU H . 25.000 . 30.984 28.205 33.066 . 0 0 "[ . 1 . 2]" 2
40 1 3 GLN CB 1 85 THR H . 25.000 . 29.234 25.923 31.591 . 0 0 "[ . 1 . 2]" 2
41 1 3 GLN CB 1 86 PHE H . 21.000 . 28.467 24.520 31.291 . 0 0 "[ . 1 . 2]" 2
42 1 3 GLN CB 1 87 ALA H . 21.000 . 27.361 24.339 29.808 . 0 0 "[ . 1 . 2]" 2
43 1 3 GLN CB 1 88 VAL H . 21.000 . 25.329 22.760 27.465 . 0 0 "[ . 1 . 2]" 2
44 1 3 GLN CB 1 89 MET H . 17.000 . 24.059 20.485 26.629 . 0 0 "[ . 1 . 2]" 2
45 1 3 GLN CB 1 90 LEU H . 17.000 . 23.563 19.758 26.672 . 0 0 "[ . 1 . 2]" 2
46 1 3 GLN CB 1 91 THR H . 14.000 . 22.092 19.536 24.672 . 0 0 "[ . 1 . 2]" 2
47 1 3 GLN CB 1 96 ILE H . 11.000 . 15.241 11.992 17.992 . 0 0 "[ . 1 . 2]" 2
48 1 3 GLN CB 1 105 TYR H . 7.000 . 10.611 7.248 18.640 . 0 0 "[ . 1 . 2]" 2
49 1 4 ILE H 1 14 SER CB . 11.000 . 16.651 14.120 18.257 . 0 0 "[ . 1 . 2]" 2
50 1 4 ILE H 1 30 ALA CB . 25.000 . 29.215 25.409 31.010 . 0 0 "[ . 1 . 2]" 2
51 1 4 ILE H 1 74 THR CB . 25.000 . 32.557 28.277 35.426 . 0 0 "[ . 1 . 2]" 2
52 1 5 GLN H 1 30 ALA CB . 21.000 . 26.429 22.979 29.779 . 0 0 "[ . 1 . 2]" 2
53 1 5 GLN H 1 74 THR CB . 25.000 . 29.606 26.040 32.795 . 0 0 "[ . 1 . 2]" 2
54 1 6 GLY H 1 30 ALA CB . 21.000 . 25.205 23.157 27.015 . 0 0 "[ . 1 . 2]" 2
55 1 6 GLY H 1 74 THR CB . 25.000 . 28.470 25.506 31.810 . 0 0 "[ . 1 . 2]" 2
56 1 7 SER H 1 30 ALA CB . 21.000 . 27.120 24.574 29.610 . 0 0 "[ . 1 . 2]" 2
57 1 7 SER H 1 74 THR CB . 25.000 . 30.543 27.809 32.848 . 0 0 "[ . 1 . 2]" 2
58 1 8 VAL H 1 30 ALA CB . 21.000 . 25.275 22.238 28.014 . 0 0 "[ . 1 . 2]" 2
59 1 8 VAL H 1 74 THR CB . 25.000 . 28.907 26.125 31.218 . 0 0 "[ . 1 . 2]" 2
60 1 9 VAL H 1 30 ALA CB . 17.000 . 23.162 20.621 25.765 . 0 0 "[ . 1 . 2]" 2
61 1 9 VAL H 1 74 THR CB . 21.000 . 26.629 23.822 28.849 . 0 0 "[ . 1 . 2]" 2
62 1 10 ALA H 1 74 THR CB . 21.000 . 26.009 23.036 28.414 . 0 0 "[ . 1 . 2]" 2
63 1 11 ALA H 1 74 THR CB . 21.000 . 25.541 22.615 27.858 . 0 0 "[ . 1 . 2]" 2
64 1 12 ALA H 1 74 THR CB . 17.000 . 23.459 20.585 25.794 . 0 0 "[ . 1 . 2]" 2
65 1 13 LEU H 1 106 GLN CB . 14.000 . 21.543 17.097 23.856 . 0 0 "[ . 1 . 2]" 2
66 1 14 SER CB 1 72 ARG H . 14.000 . 22.173 16.152 26.840 . 0 0 "[ . 1 . 2]" 2
67 1 14 SER CB 1 73 GLY H . 17.000 . 22.851 17.094 26.867 . 0 0 "[ . 1 . 2]" 2
68 1 14 SER CB 1 74 THR H . 17.000 . 22.880 18.976 26.071 . 0 0 "[ . 1 . 2]" 2
69 1 14 SER CB 1 75 LEU H . 17.000 . 24.019 20.334 28.196 . 0 0 "[ . 1 . 2]" 2
70 1 14 SER CB 1 76 ALA H . 17.000 . 24.845 20.065 28.453 . 0 0 "[ . 1 . 2]" 2
71 1 14 SER CB 1 77 VAL H . 17.000 . 25.291 20.690 29.480 . 0 0 "[ . 1 . 2]" 2
72 1 14 SER CB 1 78 SER H . 21.000 . 25.745 21.869 29.151 . 0 0 "[ . 1 . 2]" 2
73 1 14 SER CB 1 79 ASP H . 21.000 . 25.509 21.161 28.128 . 0 0 "[ . 1 . 2]" 2
74 1 14 SER CB 1 80 VAL H . 21.000 . 25.132 22.674 27.015 . 0 0 "[ . 1 . 2]" 2
75 1 14 SER CB 1 104 ARG H . 17.000 . 17.773 16.366 19.953 0.634 9 1 "[ . +1 . 2]" 2
76 1 14 SER CB 1 107 ALA H . 21.000 . 24.440 21.538 26.677 . 0 0 "[ . 1 . 2]" 2
77 1 15 ALA H 1 106 GLN CB . 21.000 . 24.981 21.159 27.014 . 0 0 "[ . 1 . 2]" 2
78 1 16 VAL H 1 106 GLN CB . 21.000 . 26.122 21.539 28.402 . 0 0 "[ . 1 . 2]" 2
79 1 17 ILE H 1 106 GLN CB . 21.000 . 26.416 21.717 28.266 . 0 0 "[ . 1 . 2]" 2
80 1 18 THR H 1 106 GLN CB . 21.000 . 28.104 23.968 29.734 . 0 0 "[ . 1 . 2]" 2
81 1 19 LEU H 1 53 SER CB . 21.000 . 24.160 22.733 25.669 . 0 0 "[ . 1 . 2]" 2
82 1 19 LEU H 1 106 GLN CB . 25.000 . 30.185 25.682 32.168 . 0 0 "[ . 1 . 2]" 2
83 1 20 ILE H 1 53 SER CB . 21.000 . 24.164 22.796 25.864 . 0 0 "[ . 1 . 2]" 2
84 1 20 ILE H 1 106 GLN CB . 25.000 . 30.997 26.033 33.027 . 0 0 "[ . 1 . 2]" 2
85 1 21 ALA H 1 53 SER CB . 21.000 . 25.823 24.349 27.741 . 0 0 "[ . 1 . 2]" 2
86 1 21 ALA H 1 106 GLN CB . 25.000 . 31.706 27.118 33.594 . 0 0 "[ . 1 . 2]" 2
87 1 22 MET H 1 53 SER CB . 25.000 . 28.106 26.886 29.831 . 0 0 "[ . 1 . 2]" 2
88 1 22 MET H 1 106 GLN CB . 25.000 . 33.749 29.408 35.649 . 0 0 "[ . 1 . 2]" 2
89 1 23 GLN H 1 53 SER CB . 25.000 . 28.725 27.379 30.296 . 0 0 "[ . 1 . 2]" 2
90 1 23 GLN H 1 106 GLN CB . 25.000 . 35.439 30.751 37.329 . 0 0 "[ . 1 . 2]" 2
91 1 24 TRP H 1 53 SER CB . 25.000 . 29.286 27.438 31.479 . 0 0 "[ . 1 . 2]" 2
92 1 24 TRP H 1 106 GLN CB . 25.000 . 36.094 31.379 38.148 . 0 0 "[ . 1 . 2]" 2
93 1 25 LEU H 1 53 SER CB . 25.000 . 31.382 29.585 33.648 . 0 0 "[ . 1 . 2]" 2
94 1 25 LEU H 1 106 GLN CB . 25.000 . 37.389 32.893 39.518 . 0 0 "[ . 1 . 2]" 2
95 1 26 MET H 1 53 SER CB . 25.000 . 33.357 31.501 34.885 . 0 0 "[ . 1 . 2]" 2
96 1 26 MET H 1 106 GLN CB . 25.000 . 39.784 34.899 42.312 . 0 0 "[ . 1 . 2]" 2
97 1 27 ALA H 1 53 SER CB . 25.000 . 34.678 32.401 37.425 . 0 0 "[ . 1 . 2]" 2
98 1 27 ALA H 1 106 GLN CB . 25.000 . 41.856 36.128 45.244 . 0 0 "[ . 1 . 2]" 2
99 1 28 PHE H 1 53 SER CB . 25.000 . 34.036 32.193 36.577 . 0 0 "[ . 1 . 2]" 2
100 1 28 PHE H 1 106 GLN CB . 25.000 . 42.182 37.780 44.932 . 0 0 "[ . 1 . 2]" 2
101 1 29 ASP H 1 53 SER CB . 25.000 . 32.434 28.475 35.206 . 0 0 "[ . 1 . 2]" 2
102 1 29 ASP H 1 106 GLN CB . 25.000 . 41.410 35.571 45.855 . 0 0 "[ . 1 . 2]" 2
103 1 30 ALA CB 1 50 ARG H . 21.000 . 25.072 21.991 28.320 . 0 0 "[ . 1 . 2]" 2
104 1 30 ALA CB 1 51 TRP H . 21.000 . 26.906 22.883 31.276 . 0 0 "[ . 1 . 2]" 2
105 1 30 ALA CB 1 53 SER H . 21.000 . 26.362 24.549 28.782 . 0 0 "[ . 1 . 2]" 2
106 1 30 ALA H 1 53 SER CB . 25.000 . 29.715 26.792 31.719 . 0 0 "[ . 1 . 2]" 2
107 1 30 ALA CB 1 54 VAL H . 21.000 . 26.434 24.378 27.499 . 0 0 "[ . 1 . 2]" 2
108 1 30 ALA CB 1 55 VAL H . 21.000 . 25.015 22.728 25.862 . 0 0 "[ . 1 . 2]" 2
109 1 30 ALA CB 1 97 GLY H . 21.000 . 24.148 22.111 26.209 . 0 0 "[ . 1 . 2]" 2
110 1 30 ALA CB 1 98 ASN H . 21.000 . 25.752 23.604 28.080 . 0 0 "[ . 1 . 2]" 2
111 1 30 ALA CB 1 99 LEU H . 21.000 . 26.015 23.682 28.964 . 0 0 "[ . 1 . 2]" 2
112 1 30 ALA CB 1 100 THR H . 25.000 . 27.052 24.911 29.264 0.089 5 0 "[ . 1 . 2]" 2
113 1 30 ALA CB 1 101 ALA H . 25.000 . 29.288 27.168 31.097 . 0 0 "[ . 1 . 2]" 2
114 1 30 ALA H 1 106 GLN CB . 25.000 . 39.679 33.187 44.002 . 0 0 "[ . 1 . 2]" 2
115 1 30 ALA CB 1 106 GLN H . 25.000 . 37.198 33.270 39.632 . 0 0 "[ . 1 . 2]" 2
116 1 30 ALA CB 1 107 ALA H . 25.000 . 38.476 33.597 41.273 . 0 0 "[ . 1 . 2]" 2
117 1 31 ALA H 1 53 SER CB . 25.000 . 30.528 28.753 32.053 . 0 0 "[ . 1 . 2]" 2
118 1 31 ALA H 1 106 GLN CB . 25.000 . 40.564 35.035 44.009 . 0 0 "[ . 1 . 2]" 2
119 1 32 ASN H 1 53 SER CB . 25.000 . 31.613 29.629 32.894 . 0 0 "[ . 1 . 2]" 2
120 1 32 ASN H 1 106 GLN CB . 25.000 . 41.756 36.836 45.119 . 0 0 "[ . 1 . 2]" 2
121 1 33 LEU H 1 53 SER CB . 25.000 . 30.921 27.638 34.012 . 0 0 "[ . 1 . 2]" 2
122 1 33 LEU H 1 106 GLN CB . 25.000 . 40.756 36.828 43.051 . 0 0 "[ . 1 . 2]" 2
123 1 36 LEU H 1 53 SER CB . 25.000 . 27.564 25.280 29.683 . 0 0 "[ . 1 . 2]" 2
124 1 36 LEU H 1 106 GLN CB . 25.000 . 37.288 33.465 39.482 . 0 0 "[ . 1 . 2]" 2
125 1 37 TYR H 1 53 SER CB . 21.000 . 25.777 22.693 28.558 . 0 0 "[ . 1 . 2]" 2
126 1 37 TYR H 1 106 GLN CB . 25.000 . 35.427 31.952 37.455 . 0 0 "[ . 1 . 2]" 2
127 1 38 LEU H 1 53 SER CB . 21.000 . 24.228 21.734 26.231 . 0 0 "[ . 1 . 2]" 2
128 1 38 LEU H 1 106 GLN CB . 25.000 . 34.441 29.563 37.462 . 0 0 "[ . 1 . 2]" 2
129 1 39 LEU H 1 106 GLN CB . 25.000 . 33.823 28.987 36.566 . 0 0 "[ . 1 . 2]" 2
130 1 40 GLY H 1 106 GLN CB . 25.000 . 32.001 28.568 34.141 . 0 0 "[ . 1 . 2]" 2
131 1 41 VAL H 1 106 GLN CB . 25.000 . 30.190 26.267 33.132 . 0 0 "[ . 1 . 2]" 2
132 1 42 VAL H 1 106 GLN CB . 25.000 . 29.746 24.546 32.780 0.454 14 0 "[ . 1 . 2]" 2
133 1 43 VAL H 1 106 GLN CB . 25.000 . 28.815 24.663 32.061 0.337 14 0 "[ . 1 . 2]" 2
134 1 44 VAL H 1 106 GLN CB . 25.000 . 26.699 23.447 29.290 1.553 14 2 "[ . - +. 2]" 2
135 1 45 ALA H 1 106 GLN CB . 25.000 . 25.516 20.725 28.721 4.275 14 5 "[ - . * * +. *]" 2
136 1 46 LEU H 1 74 THR CB . 17.000 . 22.237 19.361 25.541 . 0 0 "[ . 1 . 2]" 2
137 1 46 LEU H 1 106 GLN CB . 25.000 . 25.475 20.349 29.118 4.651 14 6 "[ ** . * +. -*]" 2
138 1 47 PHE H 1 74 THR CB . 17.000 . 23.890 20.718 26.860 . 0 0 "[ . 1 . 2]" 2
139 1 47 PHE H 1 106 GLN CB . 21.000 . 24.028 20.674 27.762 0.326 10 0 "[ . 1 . 2]" 2
140 1 48 TYR H 1 74 THR CB . 21.000 . 24.487 21.548 27.310 . 0 0 "[ . 1 . 2]" 2
141 1 49 GLY H 1 74 THR CB . 21.000 . 25.709 23.065 29.228 . 0 0 "[ . 1 . 2]" 2
142 1 50 ARG H 1 74 THR CB . 25.000 . 28.542 25.370 31.962 . 0 0 "[ . 1 . 2]" 2
143 1 51 TRP H 1 74 THR CB . 25.000 . 30.144 26.714 33.854 . 0 0 "[ . 1 . 2]" 2
144 1 53 SER CB 1 70 ALA H . 21.000 . 25.343 23.395 27.189 . 0 0 "[ . 1 . 2]" 2
145 1 53 SER CB 1 72 ARG H . 21.000 . 28.055 22.673 33.182 . 0 0 "[ . 1 . 2]" 2
146 1 53 SER CB 1 73 GLY H . 21.000 . 29.755 24.604 34.122 . 0 0 "[ . 1 . 2]" 2
147 1 53 SER H 1 74 THR CB . 25.000 . 28.865 26.783 30.718 . 0 0 "[ . 1 . 2]" 2
148 1 53 SER CB 1 74 THR H . 25.000 . 30.503 26.821 33.207 . 0 0 "[ . 1 . 2]" 2
149 1 53 SER CB 1 76 ALA H . 25.000 . 33.216 29.141 35.867 . 0 0 "[ . 1 . 2]" 2
150 1 53 SER CB 1 77 VAL H . 25.000 . 33.323 30.482 36.128 . 0 0 "[ . 1 . 2]" 2
151 1 53 SER CB 1 78 SER H . 25.000 . 33.444 31.310 35.558 . 0 0 "[ . 1 . 2]" 2
152 1 53 SER CB 1 79 ASP H . 25.000 . 32.552 30.951 34.201 . 0 0 "[ . 1 . 2]" 2
153 1 53 SER CB 1 80 VAL H . 25.000 . 31.152 29.229 32.552 . 0 0 "[ . 1 . 2]" 2
154 1 53 SER CB 1 81 GLN H . 25.000 . 29.605 28.145 30.263 . 0 0 "[ . 1 . 2]" 2
155 1 53 SER CB 1 82 TYR H . 25.000 . 28.852 27.232 29.670 . 0 0 "[ . 1 . 2]" 2
156 1 53 SER CB 1 83 LEU H . 25.000 . 27.695 26.116 29.089 . 0 0 "[ . 1 . 2]" 2
157 1 53 SER CB 1 84 LEU H . 21.000 . 25.721 23.798 27.327 . 0 0 "[ . 1 . 2]" 2
158 1 53 SER CB 1 104 ARG H . 11.000 . 13.649 12.698 14.038 . 0 0 "[ . 1 . 2]" 2
159 1 54 VAL H 1 74 THR CB . 25.000 . 28.513 27.240 30.025 . 0 0 "[ . 1 . 2]" 2
160 1 55 VAL H 1 74 THR CB . 25.000 . 27.011 25.238 28.123 . 0 0 "[ . 1 . 2]" 2
161 1 56 ALA H 1 74 THR CB . 21.000 . 25.687 24.299 26.654 . 0 0 "[ . 1 . 2]" 2
162 1 57 THR H 1 74 THR CB . 21.000 . 24.900 23.996 25.699 . 0 0 "[ . 1 . 2]" 2
163 1 58 VAL H 1 106 GLN CB . 14.000 . 21.511 15.426 26.751 . 0 0 "[ . 1 . 2]" 2
164 1 59 ILE H 1 106 GLN CB . 14.000 . 21.707 15.614 26.316 . 0 0 "[ . 1 . 2]" 2
165 1 60 ASN H 1 106 GLN CB . 17.000 . 23.322 17.108 27.141 . 0 0 "[ . 1 . 2]" 2
166 1 61 VAL H 1 106 GLN CB . 17.000 . 25.492 19.316 29.746 . 0 0 "[ . 1 . 2]" 2
167 1 62 VAL H 1 106 GLN CB . 17.000 . 26.323 20.333 30.872 . 0 0 "[ . 1 . 2]" 2
168 1 63 SER H 1 106 GLN CB . 21.000 . 27.031 21.094 31.042 . 0 0 "[ . 1 . 2]" 2
169 1 64 PHE H 1 106 GLN CB . 21.000 . 29.007 23.016 32.922 . 0 0 "[ . 1 . 2]" 2
170 1 65 ASP H 1 106 GLN CB . 25.000 . 30.842 25.067 35.225 . 0 0 "[ . 1 . 2]" 2
171 1 66 LEU H 1 106 GLN CB . 25.000 . 31.434 25.615 35.643 . 0 0 "[ . 1 . 2]" 2
172 1 67 PHE H 1 106 GLN CB . 25.000 . 32.749 27.004 36.523 . 0 0 "[ . 1 . 2]" 2
173 1 68 PHE H 1 106 GLN CB . 25.000 . 35.838 30.157 39.202 . 0 0 "[ . 1 . 2]" 2
174 1 69 ILE H 1 106 GLN CB . 25.000 . 36.994 31.771 40.652 . 0 0 "[ . 1 . 2]" 2
175 1 70 ALA H 1 106 GLN CB . 25.000 . 36.886 30.855 40.392 . 0 0 "[ . 1 . 2]" 2
176 1 72 ARG H 1 106 GLN CB . 25.000 . 38.994 30.049 45.908 . 0 0 "[ . 1 . 2]" 2
177 1 73 GLY H 1 106 GLN CB . 25.000 . 40.345 29.162 46.849 . 0 0 "[ . 1 . 2]" 2
178 1 74 THR CB 1 96 ILE H . 21.000 . 24.033 20.910 25.985 0.090 17 0 "[ . 1 . 2]" 2
179 1 74 THR CB 1 97 GLY H . 21.000 . 26.044 23.078 28.405 . 0 0 "[ . 1 . 2]" 2
180 1 74 THR CB 1 98 ASN H . 25.000 . 27.621 25.034 29.771 . 0 0 "[ . 1 . 2]" 2
181 1 74 THR CB 1 99 LEU H . 25.000 . 28.233 25.412 30.134 . 0 0 "[ . 1 . 2]" 2
182 1 74 THR CB 1 100 THR H . 25.000 . 29.428 26.490 31.573 . 0 0 "[ . 1 . 2]" 2
183 1 74 THR CB 1 101 ALA H . 25.000 . 31.534 28.662 33.681 . 0 0 "[ . 1 . 2]" 2
184 1 74 THR CB 1 102 GLY H . 25.000 . 32.714 29.952 34.909 . 0 0 "[ . 1 . 2]" 2
185 1 74 THR CB 1 103 VAL H . 25.000 . 33.369 30.434 35.223 . 0 0 "[ . 1 . 2]" 2
186 1 74 THR CB 1 104 ARG H . 25.000 . 35.352 32.642 38.729 . 0 0 "[ . 1 . 2]" 2
187 1 74 THR CB 1 105 TYR H . 25.000 . 38.063 35.925 40.548 . 0 0 "[ . 1 . 2]" 2
188 1 74 THR H 1 106 GLN CB . 25.000 . 40.807 31.837 45.487 . 0 0 "[ . 1 . 2]" 2
189 1 74 THR CB 1 106 GLN H . 25.000 . 39.754 36.161 42.425 . 0 0 "[ . 1 . 2]" 2
190 1 74 THR CB 1 107 ALA H . 25.000 . 40.917 35.351 43.394 . 0 0 "[ . 1 . 2]" 2
191 1 75 LEU H 1 106 GLN CB . 25.000 . 41.963 35.081 46.503 . 0 0 "[ . 1 . 2]" 2
192 1 76 ALA H 1 106 GLN CB . 25.000 . 42.743 37.476 46.745 . 0 0 "[ . 1 . 2]" 2
193 1 77 VAL H 1 106 GLN CB . 25.000 . 42.356 36.739 48.912 . 0 0 "[ . 1 . 2]" 2
194 1 78 SER H 1 106 GLN CB . 25.000 . 42.025 38.204 46.958 . 0 0 "[ . 1 . 2]" 2
195 1 79 ASP H 1 106 GLN CB . 25.000 . 40.685 35.112 45.104 . 0 0 "[ . 1 . 2]" 2
196 1 80 VAL H 1 106 GLN CB . 25.000 . 39.758 34.869 43.608 . 0 0 "[ . 1 . 2]" 2
197 1 81 GLN H 1 106 GLN CB . 25.000 . 38.268 33.502 42.229 . 0 0 "[ . 1 . 2]" 2
198 1 82 TYR H 1 106 GLN CB . 25.000 . 36.791 32.173 40.482 . 0 0 "[ . 1 . 2]" 2
199 1 83 LEU H 1 106 GLN CB . 25.000 . 35.457 30.681 39.107 . 0 0 "[ . 1 . 2]" 2
200 1 84 LEU H 1 106 GLN CB . 25.000 . 34.041 29.052 37.984 . 0 0 "[ . 1 . 2]" 2
201 1 85 THR H 1 106 GLN CB . 25.000 . 32.603 27.851 36.436 . 0 0 "[ . 1 . 2]" 2
202 1 86 PHE H 1 106 GLN CB . 25.000 . 31.110 26.497 34.675 . 0 0 "[ . 1 . 2]" 2
203 1 87 ALA H 1 106 GLN CB . 21.000 . 29.658 24.532 33.507 . 0 0 "[ . 1 . 2]" 2
204 1 88 VAL H 1 106 GLN CB . 21.000 . 28.265 23.258 32.220 . 0 0 "[ . 1 . 2]" 2
205 1 89 MET H 1 106 GLN CB . 21.000 . 26.931 22.338 30.506 . 0 0 "[ . 1 . 2]" 2
206 1 90 LEU H 1 106 GLN CB . 17.000 . 25.417 20.470 28.932 . 0 0 "[ . 1 . 2]" 2
207 1 91 THR H 1 106 GLN CB . 17.000 . 23.993 18.819 27.969 . 0 0 "[ . 1 . 2]" 2
208 1 92 VAL H 1 106 GLN CB . 17.000 . 22.703 18.011 26.537 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 8:01:05 PM GMT (wattos1)