NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
497693 |
2l63   |
17296 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l63
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 307
_Distance_constraint_stats_list.Viol_count 1094
_Distance_constraint_stats_list.Viol_total 5301.602
_Distance_constraint_stats_list.Viol_max 2.445
_Distance_constraint_stats_list.Viol_rms 0.3757
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1727
_Distance_constraint_stats_list.Viol_average_violations_only 0.4846
_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 HIS 0.288 0.073 6 0 "[ . 1]"
1 2 ALA 0.923 0.160 10 0 "[ . 1]"
1 3 ASP 0.635 0.160 10 0 "[ . 1]"
1 4 GLY 2.267 1.183 8 2 "[ . -+ 1]"
1 5 SER 9.666 0.591 8 2 "[ . -+ 1]"
1 6 PHE 9.801 1.183 8 2 "[ . -+ 1]"
1 7 SER 6.165 0.580 3 1 "[ + . 1]"
1 8 ASP 3.710 0.580 3 1 "[ + . 1]"
1 9 GLU 2.627 0.305 7 0 "[ . 1]"
1 10 MET 39.216 2.445 9 10 [********+*]
1 11 ASN 18.713 1.524 10 10 [-********+]
1 12 THR 9.832 0.477 10 0 "[ . 1]"
1 13 ILE 58.588 2.445 9 10 [********+*]
1 14 LEU 33.409 1.439 9 10 [***-****+*]
1 15 ASP 14.969 1.636 10 10 [******-**+]
1 16 ASN 38.143 1.636 10 10 [***-*****+]
1 17 LEU 34.305 1.041 3 10 [**+******-]
1 18 ALA 22.823 1.041 3 10 [**+*******]
1 19 ALA 14.775 0.778 6 10 [*****+**-*]
1 20 ARG 21.865 1.124 7 10 [-*****+***]
1 21 ASP 29.974 0.778 6 10 [***-*+****]
1 22 PHE 52.806 2.302 5 10 [**-*+*****]
1 23 ILE 57.594 2.106 7 10 [****-*+***]
1 24 ASN 46.359 2.327 9 10 [*****-**+*]
1 25 TRP 96.773 2.327 9 10 [*****-**+*]
1 26 LEU 37.110 2.302 5 10 [**-*+*****]
1 27 ILE 68.269 2.076 6 10 [-****+****]
1 28 GLN 30.920 1.554 9 4 "[- .* *+1]"
1 29 THR 39.521 1.793 4 10 [-**+******]
1 30 LYS 60.325 1.927 3 10 [**+******-]
1 31 ILE 73.068 1.927 3 10 [**+******-]
1 32 THR 33.960 2.076 6 10 [*****+***-]
1 33 ASP 5.392 0.354 6 0 "[ . 1]"
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 HIS HA 1 2 ALA H . . 2.400 2.405 2.306 2.473 0.073 6 0 "[ . 1]" 1
2 1 2 ALA HA 1 3 ASP H . . 2.400 2.453 2.344 2.560 0.160 10 0 "[ . 1]" 1
3 1 2 ALA MB 1 3 ASP H . . 6.520 3.379 2.493 3.836 . 0 0 "[ . 1]" 1
4 1 3 ASP HA 1 4 GLY H . . 2.990 2.474 2.316 2.636 . 0 0 "[ . 1]" 1
5 1 4 GLY QA 1 5 SER H . . 3.280 2.352 2.301 2.399 . 0 0 "[ . 1]" 1
6 1 4 GLY QA 1 6 PHE H . . 4.740 4.629 4.119 5.923 1.183 8 2 "[ . -+ 1]" 1
7 1 5 SER H 1 5 SER HB2 . . 2.400 2.712 2.591 2.827 0.427 10 0 "[ . 1]" 1
8 1 5 SER H 1 5 SER HB3 . . 2.400 2.546 2.512 2.570 0.170 5 0 "[ . 1]" 1
9 1 5 SER H 1 6 PHE H . . 3.890 3.331 2.774 4.481 0.591 8 2 "[ . -+ 1]" 1
10 1 5 SER HA 1 6 PHE H . . 3.480 3.531 2.884 3.698 0.218 2 0 "[ . 1]" 1
11 1 5 SER HA 1 8 ASP H . . 4.720 4.479 4.301 4.751 0.031 8 0 "[ . 1]" 1
12 1 5 SER HB2 1 6 PHE H . . 3.580 3.796 3.620 3.856 0.276 4 0 "[ . 1]" 1
13 1 5 SER HB3 1 6 PHE H . . 3.270 2.460 2.320 2.903 . 0 0 "[ . 1]" 1
14 1 6 PHE H 1 6 PHE QB . . 3.280 2.630 2.310 3.092 . 0 0 "[ . 1]" 1
15 1 6 PHE H 1 7 SER H . . 2.400 2.508 2.394 2.668 0.268 7 0 "[ . 1]" 1
16 1 6 PHE HA 1 7 SER H . . 4.630 3.558 3.181 3.676 . 0 0 "[ . 1]" 1
17 1 6 PHE HA 1 9 GLU H . . 3.240 2.947 2.782 3.147 . 0 0 "[ . 1]" 1
18 1 6 PHE QB 1 7 SER H . . 3.530 3.468 2.800 3.856 0.326 8 0 "[ . 1]" 1
19 1 7 SER H 1 7 SER QB . . 2.680 2.477 2.260 2.559 . 0 0 "[ . 1]" 1
20 1 7 SER HA 1 7 SER QB . . 2.550 2.442 2.388 2.580 0.030 10 0 "[ . 1]" 1
21 1 7 SER HA 1 8 ASP H . . 4.200 3.684 3.641 3.726 . 0 0 "[ . 1]" 1
22 1 7 SER HA 1 10 MET H . . 3.580 3.355 3.157 3.636 0.056 10 0 "[ . 1]" 1
23 1 7 SER HA 1 10 MET QB . . 3.810 3.087 2.446 4.098 0.288 1 0 "[ . 1]" 1
24 1 7 SER QB 1 8 ASP H . . 2.400 2.712 2.450 2.980 0.580 3 1 "[ + . 1]" 1
25 1 8 ASP H 1 8 ASP QB . . 3.280 2.418 2.326 2.546 . 0 0 "[ . 1]" 1
26 1 8 ASP HA 1 11 ASN H . . 4.350 4.361 4.025 4.489 0.139 8 0 "[ . 1]" 1
27 1 8 ASP QB 1 9 GLU HA . . 4.430 4.145 3.890 4.319 . 0 0 "[ . 1]" 1
28 1 9 GLU H 1 9 GLU QB . . 3.280 2.507 2.452 2.571 . 0 0 "[ . 1]" 1
29 1 9 GLU H 1 9 GLU QG . . 3.280 2.617 2.329 3.417 0.137 10 0 "[ . 1]" 1
30 1 9 GLU HA 1 9 GLU QG . . 3.280 2.465 2.359 2.861 . 0 0 "[ . 1]" 1
31 1 9 GLU HA 1 10 MET H . . 3.240 3.484 3.431 3.545 0.305 7 0 "[ . 1]" 1
32 1 9 GLU HA 1 12 THR H . . 3.390 3.103 2.976 3.363 . 0 0 "[ . 1]" 1
33 1 9 GLU QB 1 10 MET H . . 4.950 3.505 3.389 3.619 . 0 0 "[ . 1]" 1
34 1 9 GLU QG 1 10 MET H . . 6.260 4.717 4.513 5.068 . 0 0 "[ . 1]" 1
35 1 10 MET H 1 10 MET HA . . 2.590 2.800 2.772 2.830 0.240 1 0 "[ . 1]" 1
36 1 10 MET H 1 10 MET QB . . 3.280 2.371 2.240 2.521 . 0 0 "[ . 1]" 1
37 1 10 MET H 1 10 MET ME . . 3.420 4.527 3.807 4.934 1.514 4 9 [***+.-****] 1
38 1 10 MET HA 1 11 ASN H . . 3.670 3.648 3.617 3.678 0.008 3 0 "[ . 1]" 1
39 1 10 MET HA 1 12 THR H . . 4.140 3.858 3.636 3.977 . 0 0 "[ . 1]" 1
40 1 10 MET ME 1 13 ILE MG . . 4.810 6.695 4.537 7.255 2.445 9 9 "[-** ****+*]" 1
41 1 10 MET QG 1 13 ILE MG . . 7.400 7.480 6.315 8.579 1.179 10 4 "[** . -+]" 1
42 1 11 ASN H 1 11 ASN HA . . 3.080 2.945 2.919 2.980 . 0 0 "[ . 1]" 1
43 1 11 ASN H 1 11 ASN QB . . 3.280 2.410 2.267 2.567 . 0 0 "[ . 1]" 1
44 1 11 ASN H 1 12 THR H . . 2.490 2.810 2.688 2.967 0.477 10 0 "[ . 1]" 1
45 1 11 ASN H 1 13 ILE MG . . 6.080 7.455 7.365 7.604 1.524 10 10 [-********+] 1
46 1 11 ASN HA 1 12 THR H . . 3.450 3.378 3.184 3.448 . 0 0 "[ . 1]" 1
47 1 11 ASN HA 1 12 THR HB . . 5.380 5.500 5.445 5.563 0.183 6 0 "[ . 1]" 1
48 1 11 ASN HA 1 14 LEU H . . 5.500 3.636 3.406 3.793 . 0 0 "[ . 1]" 1
49 1 11 ASN QB 1 12 THR H . . 5.270 3.650 3.511 3.883 . 0 0 "[ . 1]" 1
50 1 12 THR H 1 12 THR HB . . 3.330 2.569 2.477 2.638 . 0 0 "[ . 1]" 1
51 1 12 THR H 1 12 THR MG . . 4.100 3.806 3.790 3.823 . 0 0 "[ . 1]" 1
52 1 12 THR H 1 13 ILE H . . 3.300 2.809 2.559 2.949 . 0 0 "[ . 1]" 1
53 1 12 THR HA 1 13 ILE H . . 4.570 3.605 3.587 3.621 . 0 0 "[ . 1]" 1
54 1 12 THR HA 1 15 ASP H . . 3.760 2.794 2.690 2.900 . 0 0 "[ . 1]" 1
55 1 12 THR HB 1 15 ASP QB . . 4.070 4.503 4.461 4.530 0.460 3 0 "[ . 1]" 1
56 1 12 THR MG 1 13 ILE H . . 3.820 3.930 3.854 4.045 0.225 10 0 "[ . 1]" 1
57 1 12 THR MG 1 14 LEU HA . . 6.520 6.333 6.254 6.381 . 0 0 "[ . 1]" 1
58 1 12 THR MG 1 16 ASN H . . 4.500 3.739 3.572 3.829 . 0 0 "[ . 1]" 1
59 1 12 THR MG 1 16 ASN QD . . 3.570 2.694 2.464 3.056 . 0 0 "[ . 1]" 1
60 1 13 ILE H 1 13 ILE HB . . 2.830 2.752 2.685 2.793 . 0 0 "[ . 1]" 1
61 1 13 ILE H 1 13 ILE MD . . 3.420 2.883 2.731 3.018 . 0 0 "[ . 1]" 1
62 1 13 ILE H 1 13 ILE QG . . 4.800 2.273 2.262 2.282 . 0 0 "[ . 1]" 1
63 1 13 ILE H 1 13 ILE MG . . 3.450 3.889 3.871 3.896 0.446 6 0 "[ . 1]" 1
64 1 13 ILE H 1 14 LEU H . . 4.320 3.038 2.994 3.091 . 0 0 "[ . 1]" 1
65 1 13 ILE HA 1 14 LEU H . . 3.550 3.666 3.645 3.702 0.152 7 0 "[ . 1]" 1
66 1 13 ILE HB 1 14 LEU H . . 3.210 2.514 2.458 2.580 . 0 0 "[ . 1]" 1
67 1 13 ILE HB 1 14 LEU HA . . 4.320 4.236 4.186 4.295 . 0 0 "[ . 1]" 1
68 1 13 ILE MD 1 14 LEU H . . 4.510 4.737 4.689 4.796 0.286 7 0 "[ . 1]" 1
69 1 13 ILE MD 1 16 ASN H . . 5.680 5.682 5.551 5.866 0.186 4 0 "[ . 1]" 1
70 1 13 ILE QG 1 14 LEU HA . . 6.100 5.768 5.740 5.824 . 0 0 "[ . 1]" 1
71 1 13 ILE MG 1 14 LEU H . . 5.220 3.388 3.289 3.483 . 0 0 "[ . 1]" 1
72 1 13 ILE MG 1 14 LEU QB . . 6.220 4.343 3.761 4.609 . 0 0 "[ . 1]" 1
73 1 13 ILE MG 1 14 LEU HG . . 3.820 4.203 3.519 5.259 1.439 9 3 "[ . - +*]" 1
74 1 13 ILE MG 1 16 ASN H . . 6.150 4.929 4.803 5.139 . 0 0 "[ . 1]" 1
75 1 13 ILE MG 1 17 LEU HG . . 3.420 4.201 3.779 4.447 1.027 7 9 "[******+* -]" 1
76 1 14 LEU H 1 14 LEU QB . . 3.280 2.522 2.423 2.610 . 0 0 "[ . 1]" 1
77 1 14 LEU H 1 14 LEU HG . . 2.400 2.428 2.394 2.465 0.065 9 0 "[ . 1]" 1
78 1 14 LEU HA 1 16 ASN H . . 3.700 4.137 4.007 4.203 0.503 4 1 "[ +. 1]" 1
79 1 14 LEU HA 1 16 ASN QB . . 3.920 4.809 4.572 5.017 1.097 5 10 [****+****-] 1
80 1 14 LEU HA 1 16 ASN QD . . 5.500 6.227 6.060 6.534 1.034 10 10 [******-**+] 1
81 1 14 LEU HA 1 17 LEU H . . 3.110 3.561 3.159 3.958 0.848 5 5 "[* - +* * 1]" 1
82 1 14 LEU HA 1 17 LEU QD . . 3.420 2.765 2.495 3.159 . 0 0 "[ . 1]" 1
83 1 15 ASP H 1 15 ASP QB . . 2.400 2.318 2.293 2.339 . 0 0 "[ . 1]" 1
84 1 15 ASP H 1 16 ASN H . . 3.210 3.061 2.936 3.139 . 0 0 "[ . 1]" 1
85 1 15 ASP HA 1 16 ASN H . . 4.320 3.666 3.649 3.676 . 0 0 "[ . 1]" 1
86 1 15 ASP HA 1 16 ASN QD . . 4.170 5.234 5.103 5.806 1.636 10 10 [******-**+] 1
87 1 15 ASP HA 1 18 ALA H . . 5.500 3.569 3.160 3.799 . 0 0 "[ . 1]" 1
88 1 15 ASP HA 1 19 ALA H . . 3.790 3.604 3.532 3.683 . 0 0 "[ . 1]" 1
89 1 15 ASP QB 1 16 ASN H . . 3.300 2.725 2.606 2.800 . 0 0 "[ . 1]" 1
90 1 16 ASN H 1 16 ASN QB . . 2.400 2.410 2.368 2.734 0.334 10 0 "[ . 1]" 1
91 1 16 ASN H 1 16 ASN QD . . 2.400 2.481 2.365 3.145 0.745 10 1 "[ . +]" 1
92 1 16 ASN H 1 17 LEU H . . 2.900 2.947 2.755 3.072 0.172 8 0 "[ . 1]" 1
93 1 16 ASN HA 1 17 LEU H . . 3.980 3.651 3.611 3.679 . 0 0 "[ . 1]" 1
94 1 16 ASN HA 1 19 ALA H . . 3.790 3.727 3.574 3.873 0.083 10 0 "[ . 1]" 1
95 1 16 ASN QB 1 16 ASN QD . . 2.400 2.672 2.633 2.708 0.308 9 0 "[ . 1]" 1
96 1 16 ASN QB 1 17 LEU H . . 2.400 2.525 2.315 2.874 0.474 9 0 "[ . 1]" 1
97 1 17 LEU H 1 17 LEU HA . . 2.860 2.853 2.796 2.922 0.062 10 0 "[ . 1]" 1
98 1 17 LEU H 1 17 LEU QB . . 2.740 2.572 2.473 2.746 0.006 4 0 "[ . 1]" 1
99 1 17 LEU H 1 17 LEU QD . . 3.420 2.912 2.649 3.029 . 0 0 "[ . 1]" 1
100 1 17 LEU H 1 17 LEU HG . . 2.400 2.341 2.268 2.407 0.007 7 0 "[ . 1]" 1
101 1 17 LEU HA 1 20 ARG H . . 5.500 3.631 3.491 3.736 . 0 0 "[ . 1]" 1
102 1 17 LEU QB 1 17 LEU HG . . 2.400 2.471 2.342 2.549 0.149 6 0 "[ . 1]" 1
103 1 17 LEU QB 1 18 ALA HA . . 3.450 4.173 3.701 4.491 1.041 3 6 "[- + **** 1]" 1
104 1 17 LEU QB 1 21 ASP H . . 4.010 4.619 4.506 4.708 0.698 5 9 [***-+****1] 1
105 1 17 LEU QD 1 19 ALA H . . 5.250 4.911 4.622 5.345 0.095 10 0 "[ . 1]" 1
106 1 17 LEU QD 1 20 ARG QD . . 6.520 6.596 5.916 7.386 0.866 7 1 "[ . + 1]" 1
107 1 17 LEU HG 1 18 ALA HA . . 5.500 5.096 4.274 6.224 0.724 2 4 "[ + -. **]" 1
108 1 18 ALA H 1 18 ALA HA . . 2.680 2.840 2.777 2.889 0.209 7 0 "[ . 1]" 1
109 1 18 ALA H 1 18 ALA MB . . 3.420 2.291 2.279 2.310 . 0 0 "[ . 1]" 1
110 1 18 ALA H 1 19 ALA H . . 3.360 2.733 2.626 2.868 . 0 0 "[ . 1]" 1
111 1 18 ALA HA 1 19 ALA H . . 3.760 3.655 3.635 3.671 . 0 0 "[ . 1]" 1
112 1 18 ALA HA 1 20 ARG H . . 3.670 4.314 4.207 4.399 0.729 7 10 [**-***+***] 1
113 1 18 ALA HA 1 21 ASP HB2 . . 2.400 2.693 2.592 2.896 0.496 7 0 "[ . 1]" 1
114 1 18 ALA HA 1 21 ASP HB3 . . 2.830 2.468 2.412 2.538 . 0 0 "[ . 1]" 1
115 1 18 ALA HA 1 22 PHE H . . 4.290 4.128 3.986 4.287 . 0 0 "[ . 1]" 1
116 1 18 ALA MB 1 19 ALA H . . 3.420 2.639 2.569 2.688 . 0 0 "[ . 1]" 1
117 1 18 ALA MB 1 21 ASP HB3 . . 3.420 3.606 3.430 3.725 0.305 7 0 "[ . 1]" 1
118 1 18 ALA MB 1 22 PHE QE . . 7.750 4.897 2.671 6.026 . 0 0 "[ . 1]" 1
119 1 19 ALA H 1 19 ALA HA . . 2.900 2.766 2.731 2.793 . 0 0 "[ . 1]" 1
120 1 19 ALA H 1 19 ALA MB . . 3.420 2.309 2.291 2.334 . 0 0 "[ . 1]" 1
121 1 19 ALA H 1 20 ARG H . . 4.010 2.940 2.875 3.000 . 0 0 "[ . 1]" 1
122 1 19 ALA HA 1 20 ARG H . . 3.610 3.654 3.637 3.666 0.056 6 0 "[ . 1]" 1
123 1 19 ALA HA 1 21 ASP H . . 4.540 4.658 4.584 4.763 0.223 1 0 "[ . 1]" 1
124 1 19 ALA HA 1 22 PHE QB . . 4.490 4.502 3.488 4.977 0.487 10 0 "[ . 1]" 1
125 1 19 ALA MB 1 20 ARG H . . 3.480 2.510 2.458 2.580 . 0 0 "[ . 1]" 1
126 1 19 ALA MB 1 21 ASP H . . 3.790 4.528 4.454 4.568 0.778 6 10 [*-***+****] 1
127 1 19 ALA MB 1 21 ASP HB3 . . 6.520 5.998 5.938 6.039 . 0 0 "[ . 1]" 1
128 1 19 ALA MB 1 22 PHE QB . . 5.410 5.522 4.678 5.964 0.554 2 4 "[ + *. -*]" 1
129 1 20 ARG H 1 20 ARG QB . . 3.280 2.400 2.281 2.591 . 0 0 "[ . 1]" 1
130 1 20 ARG H 1 20 ARG QD . . 2.620 3.035 2.587 3.744 1.124 7 3 "[- .*+ 1]" 1
131 1 20 ARG H 1 20 ARG QG . . 3.280 3.341 2.363 4.151 0.871 7 6 "[ * *. +**-]" 1
132 1 20 ARG H 1 21 ASP H . . 2.400 2.577 2.535 2.645 0.245 8 0 "[ . 1]" 1
133 1 20 ARG HA 1 20 ARG QD . . 3.080 2.292 2.163 2.469 . 0 0 "[ . 1]" 1
134 1 20 ARG HA 1 21 ASP H . . 4.790 3.637 3.596 3.661 . 0 0 "[ . 1]" 1
135 1 20 ARG HA 1 23 ILE H . . 3.640 3.041 2.906 3.325 . 0 0 "[ . 1]" 1
136 1 20 ARG HA 1 23 ILE HB . . 2.710 2.501 2.386 2.708 . 0 0 "[ . 1]" 1
137 1 20 ARG HA 1 23 ILE MD . . 5.090 5.177 5.070 5.419 0.329 1 0 "[ . 1]" 1
138 1 20 ARG HA 1 24 ASN H . . 3.550 3.278 2.733 3.529 . 0 0 "[ . 1]" 1
139 1 20 ARG QB 1 20 ARG QD . . 3.280 2.609 2.495 2.777 . 0 0 "[ . 1]" 1
140 1 20 ARG QB 1 23 ILE QG . . 6.380 5.659 5.496 5.859 . 0 0 "[ . 1]" 1
141 1 20 ARG QD 1 23 ILE HB . . 3.610 3.357 2.952 3.561 . 0 0 "[ . 1]" 1
142 1 20 ARG QD 1 23 ILE MG . . 5.280 3.042 2.546 3.973 . 0 0 "[ . 1]" 1
143 1 20 ARG QG 1 21 ASP HA . . 5.550 5.668 5.070 5.905 0.355 6 0 "[ . 1]" 1
144 1 20 ARG QG 1 23 ILE HB . . 5.140 4.308 3.398 5.347 0.207 1 0 "[ . 1]" 1
145 1 21 ASP H 1 21 ASP HB2 . . 2.400 2.571 2.550 2.590 0.190 8 0 "[ . 1]" 1
146 1 21 ASP H 1 21 ASP HB3 . . 2.400 2.711 2.684 2.729 0.329 10 0 "[ . 1]" 1
147 1 21 ASP H 1 22 PHE H . . 5.070 2.962 2.843 3.021 . 0 0 "[ . 1]" 1
148 1 21 ASP HA 1 22 PHE H . . 3.760 3.676 3.640 3.694 . 0 0 "[ . 1]" 1
149 1 21 ASP HA 1 24 ASN H . . 4.480 4.129 3.943 4.564 0.084 6 0 "[ . 1]" 1
150 1 21 ASP HA 1 25 TRP H . . 5.500 4.648 3.831 5.015 . 0 0 "[ . 1]" 1
151 1 21 ASP HB3 1 22 PHE H . . 2.400 2.616 2.525 2.749 0.349 1 0 "[ . 1]" 1
152 1 22 PHE H 1 22 PHE HA . . 2.960 2.891 2.868 2.933 . 0 0 "[ . 1]" 1
153 1 22 PHE H 1 22 PHE QB . . 3.280 2.507 2.257 2.820 . 0 0 "[ . 1]" 1
154 1 22 PHE H 1 22 PHE QE . . 7.170 4.809 4.195 5.893 . 0 0 "[ . 1]" 1
155 1 22 PHE H 1 23 ILE H . . 3.390 2.629 2.564 2.762 . 0 0 "[ . 1]" 1
156 1 22 PHE HA 1 22 PHE QE . . 5.590 5.147 4.148 5.630 0.040 9 0 "[ . 1]" 1
157 1 22 PHE HA 1 23 ILE H . . 4.380 3.668 3.654 3.684 . 0 0 "[ . 1]" 1
158 1 22 PHE HA 1 25 TRP H . . 3.360 3.253 3.142 3.424 0.064 6 0 "[ . 1]" 1
159 1 22 PHE HA 1 25 TRP HD1 . . 5.070 6.111 5.961 6.201 1.131 8 10 [*******+-*] 1
160 1 22 PHE HA 1 25 TRP HE3 . . 5.500 2.603 2.428 2.756 . 0 0 "[ . 1]" 1
161 1 22 PHE HA 1 26 LEU H . . 4.850 4.489 4.353 4.642 . 0 0 "[ . 1]" 1
162 1 22 PHE QB 1 23 ILE H . . 3.400 3.156 2.404 3.591 0.191 10 0 "[ . 1]" 1
163 1 22 PHE QB 1 26 LEU QB . . 6.380 6.289 5.819 6.603 0.223 1 0 "[ . 1]" 1
164 1 22 PHE QD 1 23 ILE HA . . 4.810 3.832 2.806 5.571 0.761 5 2 "[ +- 1]" 1
165 1 22 PHE QD 1 23 ILE HB . . 7.630 4.986 4.268 6.573 . 0 0 "[ . 1]" 1
166 1 22 PHE QD 1 23 ILE MD . . 5.550 4.710 4.335 5.453 . 0 0 "[ . 1]" 1
167 1 22 PHE QD 1 23 ILE QG . . 6.230 4.106 3.769 4.993 . 0 0 "[ . 1]" 1
168 1 22 PHE QD 1 23 ILE MG . . 8.490 5.577 5.018 6.525 . 0 0 "[ . 1]" 1
169 1 22 PHE QD 1 24 ASN HA . . 7.630 7.275 6.756 8.093 0.463 6 0 "[ . 1]" 1
170 1 22 PHE QD 1 25 TRP HZ3 . . 4.530 3.616 2.904 5.056 0.526 6 1 "[ .+ 1]" 1
171 1 22 PHE QD 1 26 LEU HA . . 5.770 6.785 6.185 8.072 2.302 5 6 "[**- +** 1]" 1
172 1 22 PHE QD 1 26 LEU QB . . 6.080 5.966 5.154 7.630 1.550 5 4 "[- +** 1]" 1
173 1 22 PHE QD 1 26 LEU QD . . 8.340 4.005 3.263 5.599 . 0 0 "[ . 1]" 1
174 1 22 PHE QD 1 26 LEU HG . . 6.390 4.293 3.307 6.384 . 0 0 "[ . 1]" 1
175 1 22 PHE QE 1 23 ILE H . . 5.620 4.826 3.923 6.705 1.085 7 2 "[- . + 1]" 1
176 1 22 PHE QE 1 23 ILE MG . . 6.020 6.147 4.896 8.126 2.106 7 4 "[* *-+ 1]" 1
177 1 22 PHE QE 1 25 TRP QB . . 7.630 6.098 4.568 6.732 . 0 0 "[ . 1]" 1
178 1 22 PHE QE 1 25 TRP HZ3 . . 5.000 5.008 2.670 6.899 1.899 6 2 "[ -+ 1]" 1
179 1 22 PHE QE 1 26 LEU QD . . 8.650 4.439 3.357 7.143 . 0 0 "[ . 1]" 1
180 1 23 ILE H 1 23 ILE HA . . 3.080 2.814 2.771 2.862 . 0 0 "[ . 1]" 1
181 1 23 ILE H 1 23 ILE HB . . 3.050 2.307 2.253 2.419 . 0 0 "[ . 1]" 1
182 1 23 ILE H 1 23 ILE MD . . 3.950 4.213 3.852 4.439 0.489 2 0 "[ . 1]" 1
183 1 23 ILE H 1 23 ILE QG . . 2.400 3.099 2.426 3.556 1.156 2 6 "[ +**. -**]" 1
184 1 23 ILE H 1 23 ILE MG . . 3.910 3.514 3.277 3.823 . 0 0 "[ . 1]" 1
185 1 23 ILE H 1 24 ASN H . . 3.140 2.892 2.823 2.999 . 0 0 "[ . 1]" 1
186 1 23 ILE HA 1 23 ILE HB . . 3.050 2.934 2.834 3.056 0.006 1 0 "[ . 1]" 1
187 1 23 ILE HA 1 23 ILE MD . . 3.420 2.318 2.259 2.356 . 0 0 "[ . 1]" 1
188 1 23 ILE HA 1 23 ILE QG . . 2.400 2.527 2.402 2.736 0.336 1 0 "[ . 1]" 1
189 1 23 ILE HA 1 23 ILE MG . . 3.420 2.967 2.642 3.170 . 0 0 "[ . 1]" 1
190 1 23 ILE HA 1 24 ASN H . . 4.010 3.630 3.598 3.647 . 0 0 "[ . 1]" 1
191 1 23 ILE HA 1 25 TRP H . . 5.130 4.058 3.783 4.514 . 0 0 "[ . 1]" 1
192 1 23 ILE HA 1 26 LEU H . . 4.510 3.852 3.705 3.928 . 0 0 "[ . 1]" 1
193 1 23 ILE HA 1 26 LEU QB . . 3.110 4.109 3.859 4.209 1.099 8 10 [*****-*+**] 1
194 1 23 ILE HA 1 26 LEU QD . . 3.420 3.198 2.923 3.380 . 0 0 "[ . 1]" 1
195 1 23 ILE HA 1 26 LEU HG . . 5.100 3.466 3.280 3.710 . 0 0 "[ . 1]" 1
196 1 23 ILE HA 1 27 ILE H . . 5.500 5.511 5.367 5.608 0.108 9 0 "[ . 1]" 1
197 1 23 ILE HB 1 23 ILE MD . . 3.420 3.310 3.297 3.334 . 0 0 "[ . 1]" 1
198 1 23 ILE HB 1 24 ASN H . . 4.880 3.246 2.730 3.614 . 0 0 "[ . 1]" 1
199 1 23 ILE HB 1 25 TRP HE3 . . 5.500 6.795 6.663 6.988 1.488 7 10 [******+*-*] 1
200 1 23 ILE MD 1 24 ASN H . . 4.160 4.760 4.553 4.995 0.835 7 4 "[* *-+ 1]" 1
201 1 23 ILE MD 1 26 LEU H . . 6.520 4.999 4.653 5.516 . 0 0 "[ . 1]" 1
202 1 23 ILE MD 1 27 ILE H . . 5.560 5.635 5.061 6.534 0.974 6 4 "[* -+* 1]" 1
203 1 23 ILE QG 1 24 ASN H . . 5.130 4.606 4.318 4.811 . 0 0 "[ . 1]" 1
204 1 24 ASN H 1 24 ASN QB . . 2.400 2.329 2.260 2.432 0.032 9 0 "[ . 1]" 1
205 1 24 ASN HA 1 25 TRP H . . 4.290 3.462 3.340 3.656 . 0 0 "[ . 1]" 1
206 1 24 ASN HA 1 25 TRP QB . . 5.250 5.271 5.193 5.362 0.112 1 0 "[ . 1]" 1
207 1 24 ASN HA 1 25 TRP HD1 . . 5.500 7.615 7.461 7.827 2.327 9 10 [******-*+*] 1
208 1 24 ASN HA 1 25 TRP HE3 . . 5.500 6.826 6.746 6.951 1.451 6 10 [*****+*-**] 1
209 1 24 ASN HA 1 26 LEU H . . 5.500 4.183 4.035 4.336 . 0 0 "[ . 1]" 1
210 1 24 ASN HA 1 26 LEU HG . . 5.500 5.850 5.738 6.042 0.542 6 1 "[ .+ 1]" 1
211 1 24 ASN QB 1 24 ASN QD . . 2.400 2.322 2.278 2.401 0.001 2 0 "[ . 1]" 1
212 1 24 ASN QB 1 25 TRP H . . 3.610 3.448 2.897 3.735 0.125 7 0 "[ . 1]" 1
213 1 24 ASN QB 1 26 LEU QD . . 6.520 6.278 6.005 6.445 . 0 0 "[ . 1]" 1
214 1 25 TRP H 1 25 TRP QB . . 2.400 2.284 2.262 2.304 . 0 0 "[ . 1]" 1
215 1 25 TRP H 1 25 TRP HD1 . . 5.500 5.310 5.282 5.353 . 0 0 "[ . 1]" 1
216 1 25 TRP H 1 25 TRP HE3 . . 5.500 3.854 3.634 4.202 . 0 0 "[ . 1]" 1
217 1 25 TRP H 1 26 LEU H . . 3.270 2.608 2.381 3.038 . 0 0 "[ . 1]" 1
218 1 25 TRP HA 1 26 LEU H . . 4.260 3.644 3.624 3.657 . 0 0 "[ . 1]" 1
219 1 25 TRP HA 1 27 ILE H . . 3.580 4.338 4.066 4.512 0.932 1 9 "[+***- ****]" 1
220 1 25 TRP HA 1 28 GLN H . . 3.210 3.208 3.054 3.367 0.157 6 0 "[ . 1]" 1
221 1 25 TRP QB 1 25 TRP HE3 . . 2.400 2.476 2.446 2.513 0.113 8 0 "[ . 1]" 1
222 1 25 TRP QB 1 26 LEU H . . 3.700 3.058 2.944 3.321 . 0 0 "[ . 1]" 1
223 1 25 TRP QB 1 27 ILE HA . . 5.500 7.305 7.258 7.392 1.892 8 10 [****-**+**] 1
224 1 25 TRP HD1 1 26 LEU HA . . 5.500 4.435 4.208 4.638 . 0 0 "[ . 1]" 1
225 1 25 TRP HD1 1 26 LEU QD . . 4.810 5.046 4.960 5.165 0.355 9 0 "[ . 1]" 1
226 1 25 TRP HD1 1 28 GLN QB . . 4.860 5.063 3.638 5.551 0.691 1 1 "[+ . 1]" 1
227 1 25 TRP HE3 1 26 LEU H . . 5.500 3.326 3.228 3.467 . 0 0 "[ . 1]" 1
228 1 25 TRP HE3 1 26 LEU HA . . 5.500 4.615 4.377 4.880 . 0 0 "[ . 1]" 1
229 1 25 TRP HE3 1 26 LEU QB . . 5.500 4.984 4.805 5.086 . 0 0 "[ . 1]" 1
230 1 25 TRP HE3 1 26 LEU QD . . 6.090 3.322 3.191 3.630 . 0 0 "[ . 1]" 1
231 1 25 TRP HE3 1 26 LEU HG . . 5.500 3.184 2.936 3.369 . 0 0 "[ . 1]" 1
232 1 25 TRP HZ3 1 26 LEU H . . 5.500 5.045 5.005 5.169 . 0 0 "[ . 1]" 1
233 1 25 TRP HZ3 1 26 LEU HA . . 5.500 5.357 5.200 5.498 . 0 0 "[ . 1]" 1
234 1 25 TRP HZ3 1 26 LEU QD . . 3.700 2.740 2.634 2.902 . 0 0 "[ . 1]" 1
235 1 26 LEU H 1 26 LEU QB . . 2.400 2.596 2.539 2.639 0.239 10 0 "[ . 1]" 1
236 1 26 LEU H 1 26 LEU QD . . 3.450 3.126 3.037 3.179 . 0 0 "[ . 1]" 1
237 1 26 LEU H 1 26 LEU HG . . 2.520 2.314 2.293 2.351 . 0 0 "[ . 1]" 1
238 1 26 LEU H 1 27 ILE H . . 3.450 2.998 2.895 3.048 . 0 0 "[ . 1]" 1
239 1 26 LEU HA 1 26 LEU QB . . 2.400 2.424 2.402 2.445 0.045 1 0 "[ . 1]" 1
240 1 26 LEU HA 1 26 LEU QD . . 3.420 2.212 2.189 2.239 . 0 0 "[ . 1]" 1
241 1 26 LEU HA 1 26 LEU HG . . 3.950 3.165 3.007 3.248 . 0 0 "[ . 1]" 1
242 1 26 LEU HA 1 27 ILE H . . 3.240 3.642 3.625 3.672 0.432 9 0 "[ . 1]" 1
243 1 26 LEU HA 1 29 THR H . . 4.510 4.324 3.926 4.915 0.405 9 0 "[ . 1]" 1
244 1 26 LEU QB 1 27 ILE H . . 3.050 2.589 2.489 2.889 . 0 0 "[ . 1]" 1
245 1 26 LEU QD 1 29 THR H . . 6.300 5.557 5.274 5.999 . 0 0 "[ . 1]" 1
246 1 27 ILE H 1 27 ILE HA . . 3.140 2.868 2.849 2.926 . 0 0 "[ . 1]" 1
247 1 27 ILE H 1 27 ILE HB . . 3.480 3.348 2.287 3.742 0.262 4 0 "[ . 1]" 1
248 1 27 ILE H 1 27 ILE MD . . 3.640 3.766 2.126 4.291 0.651 1 1 "[+ . 1]" 1
249 1 27 ILE H 1 27 ILE QG . . 2.460 2.522 2.293 3.433 0.973 6 2 "[- .+ 1]" 1
250 1 27 ILE H 1 27 ILE MG . . 4.660 2.768 2.299 3.898 . 0 0 "[ . 1]" 1
251 1 27 ILE H 1 28 GLN H . . 2.400 2.796 2.506 2.870 0.470 9 0 "[ . 1]" 1
252 1 27 ILE HA 1 27 ILE MG . . 3.420 2.452 2.345 2.934 . 0 0 "[ . 1]" 1
253 1 27 ILE HA 1 28 GLN H . . 3.950 3.642 3.623 3.674 . 0 0 "[ . 1]" 1
254 1 27 ILE HA 1 30 LYS H . . 5.500 5.469 4.941 5.787 0.287 7 0 "[ . 1]" 1
255 1 27 ILE HB 1 28 GLN H . . 4.040 3.701 2.620 4.120 0.080 10 0 "[ . 1]" 1
256 1 27 ILE MD 1 28 GLN H . . 3.420 3.462 2.774 4.974 1.554 9 3 "[* . -+1]" 1
257 1 27 ILE MD 1 28 GLN HA . . 4.470 3.840 2.850 5.863 1.393 6 3 "[- .+ *1]" 1
258 1 27 ILE MD 1 28 GLN HG2 . . 6.520 4.041 3.031 6.772 0.252 9 0 "[ . 1]" 1
259 1 27 ILE MD 1 29 THR H . . 4.440 5.002 4.617 5.895 1.455 8 4 "[- .* +*1]" 1
260 1 27 ILE MD 1 32 THR HB . . 6.520 7.201 5.915 8.596 2.076 6 6 "[* *+ **-]" 1
261 1 27 ILE MG 1 28 GLN H . . 3.980 3.867 2.631 4.350 0.370 8 0 "[ . 1]" 1
262 1 28 GLN H 1 28 GLN QB . . 3.280 2.844 2.563 2.997 . 0 0 "[ . 1]" 1
263 1 28 GLN H 1 28 GLN HG2 . . 2.400 2.485 2.376 3.298 0.898 8 1 "[ . + 1]" 1
264 1 28 GLN H 1 28 GLN HG3 . . 2.400 2.791 2.631 2.967 0.567 1 1 "[+ . 1]" 1
265 1 28 GLN HA 1 29 THR H . . 2.830 2.918 2.682 3.061 0.231 3 0 "[ . 1]" 1
266 1 28 GLN HA 1 30 LYS H . . 4.010 4.319 3.996 4.773 0.763 9 2 "[- . +1]" 1
267 1 28 GLN HA 1 31 ILE H . . 3.050 3.538 3.194 4.182 1.132 9 3 "[* .- +1]" 1
268 1 28 GLN HA 1 31 ILE MG . . 4.470 2.256 2.193 2.330 . 0 0 "[ . 1]" 1
269 1 28 GLN HA 1 32 THR H . . 4.910 3.654 2.754 4.426 . 0 0 "[ . 1]" 1
270 1 28 GLN QB 1 29 THR H . . 4.860 4.173 4.012 4.227 . 0 0 "[ . 1]" 1
271 1 29 THR H 1 29 THR HB . . 2.400 2.514 2.431 2.642 0.242 9 0 "[ . 1]" 1
272 1 29 THR H 1 30 LYS H . . 3.700 2.600 2.276 2.841 . 0 0 "[ . 1]" 1
273 1 29 THR HA 1 30 LYS H . . 4.070 3.687 3.662 3.709 . 0 0 "[ . 1]" 1
274 1 29 THR HA 1 30 LYS QE . . 4.430 5.881 5.426 6.223 1.793 4 10 [***+**-***] 1
275 1 29 THR HA 1 31 ILE MG . . 5.500 4.855 4.476 5.219 . 0 0 "[ . 1]" 1
276 1 29 THR HA 1 32 THR H . . 4.350 4.180 3.721 4.796 0.446 6 0 "[ . 1]" 1
277 1 29 THR HB 1 30 LYS H . . 2.400 2.484 2.339 2.613 0.213 4 0 "[ . 1]" 1
278 1 29 THR HB 1 30 LYS QE . . 3.810 4.552 3.555 5.268 1.458 5 6 "[* *-+ **]" 1
279 1 29 THR HB 1 31 ILE MG . . 4.940 5.680 5.007 5.973 1.033 8 7 "[ **** *+ -]" 1
280 1 30 LYS H 1 30 LYS QB . . 3.280 2.411 2.251 3.060 . 0 0 "[ . 1]" 1
281 1 30 LYS H 1 30 LYS QE . . 4.120 3.579 2.348 4.524 0.404 3 0 "[ . 1]" 1
282 1 30 LYS H 1 30 LYS QG . . 3.410 3.651 2.261 4.106 0.696 4 5 "[* +* -*]" 1
283 1 30 LYS HA 1 31 ILE H . . 3.730 3.564 2.921 3.673 . 0 0 "[ . 1]" 1
284 1 30 LYS QD 1 31 ILE HA . . 3.380 4.565 4.043 4.901 1.521 10 10 [*****-***+] 1
285 1 30 LYS QG 1 31 ILE HB . . 6.380 4.441 2.840 6.135 . 0 0 "[ . 1]" 1
286 1 30 LYS QG 1 31 ILE MD . . 4.300 5.221 4.382 6.227 1.927 3 6 "[* + ** *-]" 1
287 1 30 LYS QG 1 31 ILE MG . . 4.300 4.891 3.870 5.945 1.645 3 6 "[* +-* **]" 1
288 1 31 ILE H 1 31 ILE HB . . 2.860 2.636 2.432 3.507 0.647 6 1 "[ .+ 1]" 1
289 1 31 ILE H 1 31 ILE MD . . 4.570 4.413 4.061 5.030 0.460 6 0 "[ . 1]" 1
290 1 31 ILE H 1 31 ILE QG . . 3.390 4.135 4.060 4.212 0.822 6 10 [*****+**-*] 1
291 1 31 ILE H 1 31 ILE MG . . 3.420 2.332 2.215 2.503 . 0 0 "[ . 1]" 1
292 1 31 ILE H 1 32 THR H . . 2.400 2.752 2.306 3.038 0.638 3 3 "[* + . -]" 1
293 1 31 ILE HA 1 31 ILE MD . . 3.420 3.199 2.240 3.860 0.440 6 0 "[ . 1]" 1
294 1 31 ILE HA 1 31 ILE QG . . 2.960 2.552 2.294 2.987 0.027 3 0 "[ . 1]" 1
295 1 31 ILE HA 1 32 THR H . . 3.420 3.675 3.622 3.737 0.317 6 0 "[ . 1]" 1
296 1 31 ILE HB 1 32 THR H . . 3.790 4.078 4.015 4.140 0.350 6 0 "[ . 1]" 1
297 1 31 ILE MD 1 32 THR H . . 6.520 4.864 4.546 5.023 . 0 0 "[ . 1]" 1
298 1 31 ILE QG 1 32 THR H . . 2.800 4.012 3.569 4.149 1.349 10 10 [*****-***+] 1
299 1 31 ILE MG 1 33 ASP QB . . 5.790 5.524 5.183 6.085 0.295 7 0 "[ . 1]" 1
300 1 32 THR H 1 32 THR HB . . 3.270 2.611 2.523 2.688 . 0 0 "[ . 1]" 1
301 1 32 THR H 1 33 ASP H . . 2.400 2.461 2.338 2.661 0.261 7 0 "[ . 1]" 1
302 1 32 THR HA 1 32 THR MG . . 3.420 2.384 2.342 2.429 . 0 0 "[ . 1]" 1
303 1 32 THR HA 1 33 ASP H . . 3.480 3.704 3.689 3.718 0.238 6 0 "[ . 1]" 1
304 1 32 THR HB 1 33 ASP H . . 2.400 2.415 2.309 2.470 0.070 6 0 "[ . 1]" 1
305 1 32 THR MG 1 33 ASP H . . 3.420 3.403 3.209 3.774 0.354 6 0 "[ . 1]" 1
306 1 33 ASP H 1 33 ASP HA . . 2.550 2.468 2.287 2.882 0.332 6 0 "[ . 1]" 1
307 1 33 ASP H 1 33 ASP QB . . 3.560 2.918 2.307 3.119 . 0 0 "[ . 1]" 1
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