NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
498102 |
2rqo   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqo
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 320
_Distance_constraint_stats_list.Viol_count 526
_Distance_constraint_stats_list.Viol_total 772.579
_Distance_constraint_stats_list.Viol_max 0.640
_Distance_constraint_stats_list.Viol_rms 0.0355
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0734
_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 GLY 0.835 0.083 14 0 "[ . 1 . 2]"
1 3 . 0.827 0.083 14 0 "[ . 1 . 2]"
1 4 GLY 0.905 0.070 17 0 "[ . 1 . 2]"
1 5 . 0.321 0.065 14 0 "[ . 1 . 2]"
1 6 . 0.771 0.073 1 0 "[ . 1 . 2]"
1 7 . 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 DAL 0.203 0.052 19 0 "[ . 1 . 2]"
1 9 . 0.284 0.070 15 0 "[ . 1 . 2]"
1 10 . 0.995 0.074 15 0 "[ . 1 . 2]"
1 11 ALA 1.533 0.097 7 0 "[ . 1 . 2]"
1 12 GLY 1.730 0.097 7 0 "[ . 1 . 2]"
1 13 ALA 0.771 0.073 1 0 "[ . 1 . 2]"
1 14 . 1.276 0.076 19 0 "[ . 1 . 2]"
1 15 ALA 1.058 0.088 17 0 "[ . 1 . 2]"
1 16 . 1.546 0.088 17 0 "[ . 1 . 2]"
1 17 . 0.501 0.070 16 0 "[ . 1 . 2]"
1 18 GLY 1.066 0.072 4 0 "[ . 1 . 2]"
1 19 ALA 2.079 0.100 1 0 "[ . 1 . 2]"
1 20 GLY 1.312 0.100 1 0 "[ . 1 . 2]"
1 21 . 1.210 0.076 19 0 "[ . 1 . 2]"
1 22 . 0.334 0.064 5 0 "[ . 1 . 2]"
1 23 . 1.680 0.084 3 0 "[ . 1 . 2]"
1 24 . 0.007 0.007 20 0 "[ . 1 . 2]"
1 25 ALA 0.922 0.070 15 0 "[ . 1 . 2]"
1 26 GLY 0.152 0.051 10 0 "[ . 1 . 2]"
1 27 GLY 0.722 0.063 17 0 "[ . 1 . 2]"
1 28 . 0.463 0.072 12 0 "[ . 1 . 2]"
1 29 ILE 2.187 0.098 14 0 "[ . 1 . 2]"
1 30 . 2.636 0.098 14 0 "[ . 1 . 2]"
1 31 . 0.051 0.051 10 0 "[ . 1 . 2]"
1 32 . 0.666 0.076 3 0 "[ . 1 . 2]"
1 33 GLY 0.168 0.062 16 0 "[ . 1 . 2]"
1 34 . 0.742 0.069 2 0 "[ . 1 . 2]"
1 35 ILE 2.762 0.090 9 0 "[ . 1 . 2]"
1 36 . 2.969 0.088 17 0 "[ . 1 . 2]"
1 37 VAL 0.614 0.076 3 0 "[ . 1 . 2]"
1 38 . 0.570 0.072 9 0 "[ . 1 . 2]"
1 39 ALA 1.090 0.085 11 0 "[ . 1 . 2]"
1 40 . 2.259 0.085 11 0 "[ . 1 . 2]"
1 41 VAL 2.534 0.080 14 0 "[ . 1 . 2]"
1 42 . 1.831 0.090 9 0 "[ . 1 . 2]"
1 43 VAL 0.236 0.062 13 0 "[ . 1 . 2]"
1 44 . 12.705 0.640 19 20 [********-*********+*]
1 45 . 0.589 0.072 9 0 "[ . 1 . 2]"
1 46 . 1.887 0.157 4 0 "[ . 1 . 2]"
1 47 GLN 1.424 0.078 1 0 "[ . 1 . 2]"
1 48 . 0.092 0.047 3 0 "[ . 1 . 2]"
1 49 THR 0.859 0.076 19 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 GLY HA3 1 3 . H . . 2.700 2.726 2.402 2.783 0.083 14 0 "[ . 1 . 2]" 1
2 1 2 GLY O 1 9 . H . . 2.100 1.946 1.821 2.105 0.005 19 0 "[ . 1 . 2]" 1
3 1 2 GLY O 1 9 . N . . 3.200 2.897 2.776 3.034 . 0 0 "[ . 1 . 2]" 1
4 1 3 . H 1 3 . HA . . 3.000 2.967 2.937 2.994 . 0 0 "[ . 1 . 2]" 1
5 1 3 . HA 1 4 GLY H . . 2.500 2.233 2.093 2.319 . 0 0 "[ . 1 . 2]" 1
6 1 3 . HA 1 9 . H . . 4.000 2.986 2.589 3.358 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLY H 1 4 GLY HA3 . . 3.000 2.988 2.916 3.010 0.010 4 0 "[ . 1 . 2]" 1
8 1 4 GLY H 1 9 . O . . 2.100 2.002 1.870 2.170 0.070 15 0 "[ . 1 . 2]" 1
9 1 4 GLY H 1 10 . CB . . 7.400 4.124 3.808 4.475 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLY H 1 10 . HA . . 4.000 2.846 2.538 3.168 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLY HA3 1 5 . H . . 2.500 2.246 2.054 2.326 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLY N 1 9 . O . . 3.200 2.905 2.834 3.062 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLY O 1 11 ALA H . . 2.100 2.102 1.969 2.170 0.070 17 0 "[ . 1 . 2]" 1
14 1 4 GLY O 1 11 ALA N . . 3.200 3.063 2.952 3.126 . 0 0 "[ . 1 . 2]" 1
15 1 5 . CB 1 5 . H . . 7.400 2.640 2.523 3.010 . 0 0 "[ . 1 . 2]" 1
16 1 5 . CB 1 6 . H . . 7.400 3.467 3.241 3.641 . 0 0 "[ . 1 . 2]" 1
17 1 5 . CB 1 11 ALA H . . 7.400 4.415 4.062 4.594 . 0 0 "[ . 1 . 2]" 1
18 1 5 . H 1 5 . HA . . 3.000 2.932 2.904 2.966 . 0 0 "[ . 1 . 2]" 1
19 1 5 . HA 1 6 . H . . 2.500 2.289 2.199 2.424 . 0 0 "[ . 1 . 2]" 1
20 1 5 . HA 1 11 ALA H . . 2.500 2.454 2.280 2.565 0.065 14 0 "[ . 1 . 2]" 1
21 1 6 . CB 1 6 . H . . 7.400 2.893 2.776 2.989 . 0 0 "[ . 1 . 2]" 1
22 1 6 . CB 1 7 . H . . 7.400 3.762 3.559 3.915 . 0 0 "[ . 1 . 2]" 1
23 1 6 . H 1 6 . HA . . 4.000 2.956 2.930 2.980 . 0 0 "[ . 1 . 2]" 1
24 1 6 . H 1 11 ALA MB . . 6.000 3.780 3.440 3.990 . 0 0 "[ . 1 . 2]" 1
25 1 6 . H 1 11 ALA O . . 2.100 1.904 1.829 2.079 . 0 0 "[ . 1 . 2]" 1
26 1 6 . H 1 12 GLY HA3 . . 4.000 2.888 2.557 3.156 . 0 0 "[ . 1 . 2]" 1
27 1 6 . HA 1 7 . H . . 2.500 2.118 2.016 2.185 . 0 0 "[ . 1 . 2]" 1
28 1 6 . N 1 11 ALA O . . 3.200 2.840 2.797 2.925 . 0 0 "[ . 1 . 2]" 1
29 1 6 . O 1 13 ALA H . . 2.100 2.119 1.993 2.173 0.073 1 0 "[ . 1 . 2]" 1
30 1 6 . O 1 13 ALA N . . 3.200 3.043 2.927 3.126 . 0 0 "[ . 1 . 2]" 1
31 1 7 . CB 1 7 . H . . 7.400 2.890 2.760 2.942 . 0 0 "[ . 1 . 2]" 1
32 1 7 . CB 1 8 DAL H . . 7.400 3.656 3.530 3.936 . 0 0 "[ . 1 . 2]" 1
33 1 7 . CB 1 13 ALA H . . 7.400 4.598 4.290 4.926 . 0 0 "[ . 1 . 2]" 1
34 1 7 . H 1 7 . HA . . 3.000 2.940 2.919 2.969 . 0 0 "[ . 1 . 2]" 1
35 1 7 . HA 1 8 DAL H . . 2.500 2.161 2.108 2.215 . 0 0 "[ . 1 . 2]" 1
36 1 7 . HA 1 13 ALA H . . 4.000 2.746 2.500 3.295 . 0 0 "[ . 1 . 2]" 1
37 1 8 DAL H 1 8 DAL HA . . 3.000 2.946 2.907 2.975 . 0 0 "[ . 1 . 2]" 1
38 1 8 DAL H 1 13 ALA O . . 2.100 1.908 1.840 2.002 . 0 0 "[ . 1 . 2]" 1
39 1 8 DAL H 1 14 . CB . . 7.400 4.520 4.335 4.768 . 0 0 "[ . 1 . 2]" 1
40 1 8 DAL H 1 14 . HA . . 4.000 2.794 2.654 2.987 . 0 0 "[ . 1 . 2]" 1
41 1 8 DAL HA 1 9 . H . . 2.500 2.303 2.174 2.406 . 0 0 "[ . 1 . 2]" 1
42 1 8 DAL N 1 13 ALA O . . 3.200 2.896 2.833 2.996 . 0 0 "[ . 1 . 2]" 1
43 1 8 DAL O 1 15 ALA H . . 2.100 2.015 1.865 2.152 0.052 19 0 "[ . 1 . 2]" 1
44 1 8 DAL O 1 15 ALA N . . 3.200 2.968 2.826 3.117 . 0 0 "[ . 1 . 2]" 1
45 1 9 . CB 1 9 . H . . 7.400 2.728 2.644 2.939 . 0 0 "[ . 1 . 2]" 1
46 1 9 . CB 1 10 . H . . 7.400 3.528 3.434 3.643 . 0 0 "[ . 1 . 2]" 1
47 1 9 . CB 1 15 ALA H . . 7.400 4.770 4.520 4.973 . 0 0 "[ . 1 . 2]" 1
48 1 9 . H 1 9 . HA . . 3.000 2.945 2.911 2.968 . 0 0 "[ . 1 . 2]" 1
49 1 9 . HA 1 10 . H . . 2.500 2.249 2.152 2.336 . 0 0 "[ . 1 . 2]" 1
50 1 9 . HA 1 15 ALA H . . 4.000 2.835 2.595 3.086 . 0 0 "[ . 1 . 2]" 1
51 1 10 . CB 1 10 . H . . 7.400 3.017 2.930 3.121 . 0 0 "[ . 1 . 2]" 1
52 1 10 . CB 1 11 ALA H . . 7.400 3.875 3.661 3.989 . 0 0 "[ . 1 . 2]" 1
53 1 10 . CB 1 17 . H . . 7.400 4.927 4.655 5.153 . 0 0 "[ . 1 . 2]" 1
54 1 10 . H 1 10 . HA . . 3.000 2.942 2.926 2.957 . 0 0 "[ . 1 . 2]" 1
55 1 10 . H 1 15 ALA O . . 2.100 2.098 1.827 2.174 0.074 15 0 "[ . 1 . 2]" 1
56 1 10 . H 1 16 . HA . . 4.000 2.444 2.213 2.712 . 0 0 "[ . 1 . 2]" 1
57 1 10 . H 1 16 . HB2 . . 5.000 3.252 2.753 3.656 . 0 0 "[ . 1 . 2]" 1
58 1 10 . H 1 16 . HB3 . . 5.000 4.321 3.752 5.001 0.001 19 0 "[ . 1 . 2]" 1
59 1 10 . HA 1 11 ALA H . . 3.000 2.194 2.096 2.254 . 0 0 "[ . 1 . 2]" 1
60 1 10 . N 1 15 ALA O . . 3.200 2.973 2.798 3.062 . 0 0 "[ . 1 . 2]" 1
61 1 10 . O 1 17 . H . . 2.100 2.048 1.866 2.170 0.070 16 0 "[ . 1 . 2]" 1
62 1 10 . O 1 17 . N . . 3.200 2.955 2.821 3.127 . 0 0 "[ . 1 . 2]" 1
63 1 11 ALA H 1 11 ALA HA . . 3.000 2.964 2.932 3.015 0.015 17 0 "[ . 1 . 2]" 1
64 1 11 ALA H 1 11 ALA MB . . 3.000 2.613 2.507 2.748 . 0 0 "[ . 1 . 2]" 1
65 1 11 ALA HA 1 12 GLY H . . 2.500 2.165 2.004 2.280 . 0 0 "[ . 1 . 2]" 1
66 1 11 ALA HA 1 17 . H . . 4.000 2.505 2.228 2.842 . 0 0 "[ . 1 . 2]" 1
67 1 11 ALA MB 1 12 GLY H . . 3.000 2.835 2.516 3.097 0.097 7 0 "[ . 1 . 2]" 1
68 1 11 ALA MB 1 17 . H . . 5.000 3.694 3.331 4.079 . 0 0 "[ . 1 . 2]" 1
69 1 12 GLY H 1 12 GLY HA3 . . 3.000 2.978 2.954 3.000 . 0 0 "[ . 1 . 2]" 1
70 1 12 GLY H 1 17 . O . . 2.100 1.997 1.861 2.161 0.061 2 0 "[ . 1 . 2]" 1
71 1 12 GLY H 1 18 GLY HA3 . . 4.000 2.840 2.515 3.091 . 0 0 "[ . 1 . 2]" 1
72 1 12 GLY HA3 1 13 ALA H . . 2.500 2.292 2.228 2.348 . 0 0 "[ . 1 . 2]" 1
73 1 12 GLY N 1 17 . O . . 3.200 2.967 2.848 3.106 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLY O 1 19 ALA H . . 2.100 2.133 1.945 2.177 0.077 16 0 "[ . 1 . 2]" 1
75 1 12 GLY O 1 19 ALA N . . 3.200 2.918 2.808 3.098 . 0 0 "[ . 1 . 2]" 1
76 1 13 ALA H 1 13 ALA HA . . 3.000 2.973 2.950 2.993 . 0 0 "[ . 1 . 2]" 1
77 1 13 ALA H 1 13 ALA MB . . 3.000 2.582 2.277 2.746 . 0 0 "[ . 1 . 2]" 1
78 1 13 ALA HA 1 14 . H . . 2.500 2.225 2.130 2.323 . 0 0 "[ . 1 . 2]" 1
79 1 13 ALA HA 1 19 ALA H . . 4.000 2.704 2.485 3.008 . 0 0 "[ . 1 . 2]" 1
80 1 13 ALA MB 1 14 . H . . 3.000 2.769 2.460 2.979 . 0 0 "[ . 1 . 2]" 1
81 1 13 ALA MB 1 19 ALA H . . 5.000 3.978 3.558 4.196 . 0 0 "[ . 1 . 2]" 1
82 1 14 . CB 1 14 . H . . 7.400 2.892 2.694 3.008 . 0 0 "[ . 1 . 2]" 1
83 1 14 . CB 1 15 ALA H . . 7.400 4.002 3.925 4.064 . 0 0 "[ . 1 . 2]" 1
84 1 14 . CB 1 21 . H . . 8.400 4.946 4.768 5.152 . 0 0 "[ . 1 . 2]" 1
85 1 14 . H 1 14 . HA . . 3.000 2.963 2.944 2.989 . 0 0 "[ . 1 . 2]" 1
86 1 14 . H 1 19 ALA O . . 2.100 2.085 1.924 2.166 0.066 15 0 "[ . 1 . 2]" 1
87 1 14 . H 1 20 GLY HA3 . . 4.000 2.721 2.457 3.105 . 0 0 "[ . 1 . 2]" 1
88 1 14 . HA 1 15 ALA H . . 2.500 2.226 2.126 2.312 . 0 0 "[ . 1 . 2]" 1
89 1 14 . N 1 19 ALA O . . 3.200 2.973 2.883 3.111 . 0 0 "[ . 1 . 2]" 1
90 1 14 . O 1 21 . H . . 2.100 2.123 1.983 2.176 0.076 19 0 "[ . 1 . 2]" 1
91 1 14 . O 1 21 . N . . 3.200 3.048 2.942 3.132 . 0 0 "[ . 1 . 2]" 1
92 1 15 ALA H 1 15 ALA HA . . 3.000 2.918 2.873 2.963 . 0 0 "[ . 1 . 2]" 1
93 1 15 ALA H 1 15 ALA MB . . 3.000 2.657 2.523 2.760 . 0 0 "[ . 1 . 2]" 1
94 1 15 ALA HA 1 16 . H . . 2.500 2.344 2.089 2.451 . 0 0 "[ . 1 . 2]" 1
95 1 15 ALA HA 1 21 . H . . 4.000 2.546 2.195 2.895 . 0 0 "[ . 1 . 2]" 1
96 1 15 ALA MB 1 16 . H . . 3.000 2.689 2.433 3.088 0.088 17 0 "[ . 1 . 2]" 1
97 1 15 ALA MB 1 21 . H . . 5.000 3.437 3.124 3.789 . 0 0 "[ . 1 . 2]" 1
98 1 16 . H 1 16 . HA . . 3.000 2.950 2.879 2.974 . 0 0 "[ . 1 . 2]" 1
99 1 16 . H 1 16 . HB2 . . 3.500 3.349 3.179 3.571 0.071 17 0 "[ . 1 . 2]" 1
100 1 16 . H 1 16 . HB3 . . 4.500 3.747 3.388 4.055 . 0 0 "[ . 1 . 2]" 1
101 1 16 . H 1 21 . CB . . 7.400 5.067 4.583 5.289 . 0 0 "[ . 1 . 2]" 1
102 1 16 . H 1 21 . O . . 2.100 2.050 1.790 2.167 0.067 18 0 "[ . 1 . 2]" 1
103 1 16 . H 1 22 . HA . . 4.000 2.689 2.411 2.969 . 0 0 "[ . 1 . 2]" 1
104 1 16 . HA 1 17 . H . . 2.500 2.145 2.018 2.218 . 0 0 "[ . 1 . 2]" 1
105 1 16 . HB3 1 17 . H . . 5.000 3.589 2.863 4.094 . 0 0 "[ . 1 . 2]" 1
106 1 16 . N 1 21 . O . . 3.200 2.982 2.786 3.110 . 0 0 "[ . 1 . 2]" 1
107 1 16 . O 1 23 . H . . 2.100 2.094 1.883 2.167 0.067 11 0 "[ . 1 . 2]" 1
108 1 16 . O 1 23 . N . . 3.200 2.990 2.830 3.076 . 0 0 "[ . 1 . 2]" 1
109 1 17 . H 1 17 . HA . . 3.000 2.956 2.926 2.981 . 0 0 "[ . 1 . 2]" 1
110 1 17 . HA 1 18 GLY H . . 2.500 2.215 2.075 2.369 . 0 0 "[ . 1 . 2]" 1
111 1 17 . HA 1 23 . H . . 4.000 2.937 2.262 3.295 . 0 0 "[ . 1 . 2]" 1
112 1 18 GLY H 1 18 GLY HA3 . . 3.000 2.986 2.964 3.016 0.016 18 0 "[ . 1 . 2]" 1
113 1 18 GLY H 1 23 . O . . 2.100 2.010 1.856 2.172 0.072 4 0 "[ . 1 . 2]" 1
114 1 18 GLY H 1 24 . CB . . 8.400 4.250 3.620 4.728 . 0 0 "[ . 1 . 2]" 1
115 1 18 GLY H 1 24 . HA . . 4.000 2.876 2.589 3.159 . 0 0 "[ . 1 . 2]" 1
116 1 18 GLY HA3 1 19 ALA H . . 2.500 2.338 2.263 2.417 . 0 0 "[ . 1 . 2]" 1
117 1 18 GLY N 1 23 . O . . 3.200 2.957 2.840 3.096 . 0 0 "[ . 1 . 2]" 1
118 1 18 GLY O 1 25 ALA H . . 2.100 2.125 2.003 2.170 0.070 15 0 "[ . 1 . 2]" 1
119 1 18 GLY O 1 25 ALA N . . 3.200 3.067 2.969 3.148 . 0 0 "[ . 1 . 2]" 1
120 1 19 ALA H 1 19 ALA HA . . 3.000 2.962 2.905 2.989 . 0 0 "[ . 1 . 2]" 1
121 1 19 ALA H 1 19 ALA MB . . 3.000 2.616 2.372 2.761 . 0 0 "[ . 1 . 2]" 1
122 1 19 ALA HA 1 20 GLY H . . 2.500 2.175 1.977 2.293 . 0 0 "[ . 1 . 2]" 1
123 1 19 ALA HA 1 25 ALA H . . 4.000 2.393 2.051 2.749 . 0 0 "[ . 1 . 2]" 1
124 1 19 ALA MB 1 20 GLY H . . 3.000 2.786 2.525 3.100 0.100 1 0 "[ . 1 . 2]" 1
125 1 19 ALA MB 1 25 ALA H . . 5.000 3.587 3.178 4.112 . 0 0 "[ . 1 . 2]" 1
126 1 20 GLY H 1 20 GLY HA3 . . 3.000 2.962 2.918 2.988 . 0 0 "[ . 1 . 2]" 1
127 1 20 GLY H 1 25 ALA O . . 2.100 1.950 1.803 2.151 0.051 15 0 "[ . 1 . 2]" 1
128 1 20 GLY H 1 26 GLY HA3 . . 3.500 2.800 2.226 3.047 . 0 0 "[ . 1 . 2]" 1
129 1 20 GLY HA3 1 21 . H . . 2.500 2.299 2.248 2.355 . 0 0 "[ . 1 . 2]" 1
130 1 20 GLY N 1 25 ALA O . . 3.200 2.890 2.776 3.100 . 0 0 "[ . 1 . 2]" 1
131 1 20 GLY O 1 27 GLY H . . 2.100 2.115 1.990 2.160 0.060 8 0 "[ . 1 . 2]" 1
132 1 20 GLY O 1 27 GLY N . . 3.200 2.999 2.756 3.137 . 0 0 "[ . 1 . 2]" 1
133 1 21 . CB 1 21 . H . . 7.400 2.760 2.613 2.944 . 0 0 "[ . 1 . 2]" 1
134 1 21 . CB 1 22 . H . . 8.400 3.585 3.174 3.793 . 0 0 "[ . 1 . 2]" 1
135 1 21 . CB 1 27 GLY H . . 8.400 4.631 4.326 4.987 . 0 0 "[ . 1 . 2]" 1
136 1 21 . H 1 21 . HA . . 3.000 2.959 2.918 2.989 . 0 0 "[ . 1 . 2]" 1
137 1 21 . HA 1 22 . H . . 2.500 2.174 2.060 2.334 . 0 0 "[ . 1 . 2]" 1
138 1 21 . HA 1 27 GLY H . . 4.000 2.693 2.442 3.007 . 0 0 "[ . 1 . 2]" 1
139 1 22 . H 1 22 . HA . . 3.000 2.959 2.923 2.998 . 0 0 "[ . 1 . 2]" 1
140 1 22 . H 1 22 . HB2 . . 3.500 2.689 2.369 2.952 . 0 0 "[ . 1 . 2]" 1
141 1 22 . H 1 22 . HB3 . . 4.500 3.267 2.809 3.456 . 0 0 "[ . 1 . 2]" 1
142 1 22 . H 1 27 GLY O . . 2.100 1.913 1.776 2.163 0.063 17 0 "[ . 1 . 2]" 1
143 1 22 . HA 1 23 . H . . 2.500 2.285 2.191 2.381 . 0 0 "[ . 1 . 2]" 1
144 1 22 . HB2 1 28 . HA . . 3.500 2.502 2.203 2.901 . 0 0 "[ . 1 . 2]" 1
145 1 22 . HB3 1 28 . HA . . 4.500 4.116 3.811 4.515 0.015 3 0 "[ . 1 . 2]" 1
146 1 22 . N 1 27 GLY O . . 3.200 2.879 2.776 3.046 . 0 0 "[ . 1 . 2]" 1
147 1 22 . O 1 29 ILE H . . 2.100 1.953 1.795 2.164 0.064 5 0 "[ . 1 . 2]" 1
148 1 22 . O 1 29 ILE N . . 3.200 2.928 2.779 3.148 . 0 0 "[ . 1 . 2]" 1
149 1 23 . H 1 23 . HA . . 3.000 2.974 2.940 3.007 0.007 3 0 "[ . 1 . 2]" 1
150 1 23 . H 1 23 . HB3 . . 4.000 3.524 2.521 3.986 . 0 0 "[ . 1 . 2]" 1
151 1 23 . H 1 23 . HG2 . . 4.000 2.542 1.829 3.872 . 0 0 "[ . 1 . 2]" 1
152 1 23 . H 1 23 . HG3 . . 4.000 3.080 2.179 3.717 . 0 0 "[ . 1 . 2]" 1
153 1 23 . HA 1 24 . H . . 2.500 2.159 2.081 2.333 . 0 0 "[ . 1 . 2]" 1
154 1 23 . HB3 1 23 . HE22 . . 4.000 2.428 2.054 3.111 . 0 0 "[ . 1 . 2]" 1
155 1 23 . HB3 1 29 ILE H . . 5.000 4.784 3.942 5.084 0.084 3 0 "[ . 1 . 2]" 1
156 1 23 . HE22 1 23 . HG2 . . 4.000 3.652 3.501 3.715 . 0 0 "[ . 1 . 2]" 1
157 1 23 . HE22 1 23 . HG3 . . 4.000 2.707 2.289 3.220 . 0 0 "[ . 1 . 2]" 1
158 1 24 . H 1 24 . HA . . 3.000 2.926 2.879 2.968 . 0 0 "[ . 1 . 2]" 1
159 1 24 . H 1 29 ILE O . . 2.100 1.877 1.764 2.107 0.007 20 0 "[ . 1 . 2]" 1
160 1 24 . H 1 30 . HA . . 4.000 3.103 2.752 3.338 . 0 0 "[ . 1 . 2]" 1
161 1 24 . HA 1 25 ALA H . . 2.500 2.183 2.107 2.286 . 0 0 "[ . 1 . 2]" 1
162 1 24 . N 1 29 ILE O . . 3.200 2.839 2.694 3.039 . 0 0 "[ . 1 . 2]" 1
163 1 25 ALA H 1 25 ALA MB . . 3.000 2.412 2.180 2.669 . 0 0 "[ . 1 . 2]" 1
164 1 25 ALA HA 1 26 GLY H . . 2.500 2.161 2.076 2.263 . 0 0 "[ . 1 . 2]" 1
165 1 25 ALA MB 1 26 GLY H . . 4.000 3.341 2.946 3.526 . 0 0 "[ . 1 . 2]" 1
166 1 26 GLY H 1 26 GLY HA3 . . 3.000 2.934 2.883 2.993 . 0 0 "[ . 1 . 2]" 1
167 1 26 GLY H 1 31 . CB . . 5.000 4.626 4.189 5.051 0.051 10 0 "[ . 1 . 2]" 1
168 1 26 GLY H 1 32 . HA . . 4.000 3.555 3.072 4.039 0.039 3 0 "[ . 1 . 2]" 1
169 1 26 GLY HA3 1 27 GLY H . . 2.500 2.360 2.253 2.434 . 0 0 "[ . 1 . 2]" 1
170 1 27 GLY H 1 27 GLY HA2 . . 3.000 2.937 2.889 2.973 . 0 0 "[ . 1 . 2]" 1
171 1 27 GLY HA2 1 28 . H . . 2.500 2.341 2.223 2.473 . 0 0 "[ . 1 . 2]" 1
172 1 27 GLY HA2 1 33 GLY H . . 4.000 2.380 2.106 2.696 . 0 0 "[ . 1 . 2]" 1
173 1 28 . H 1 28 . HA . . 3.000 2.980 2.955 3.002 0.002 9 0 "[ . 1 . 2]" 1
174 1 28 . H 1 28 . HB2 . . 3.000 2.604 2.419 2.891 . 0 0 "[ . 1 . 2]" 1
175 1 28 . H 1 28 . HB3 . . 4.000 2.998 2.693 3.361 . 0 0 "[ . 1 . 2]" 1
176 1 28 . H 1 33 GLY O . . 2.100 1.981 1.821 2.162 0.062 16 0 "[ . 1 . 2]" 1
177 1 28 . H 1 34 . HA . . 4.000 3.106 2.799 3.351 . 0 0 "[ . 1 . 2]" 1
178 1 28 . HA 1 29 ILE H . . 2.500 2.297 2.194 2.442 . 0 0 "[ . 1 . 2]" 1
179 1 28 . HB2 1 34 . HA . . 3.500 2.402 2.202 2.679 . 0 0 "[ . 1 . 2]" 1
180 1 28 . HB3 1 34 . HA . . 4.500 4.091 3.923 4.342 . 0 0 "[ . 1 . 2]" 1
181 1 28 . N 1 33 GLY O . . 3.200 2.939 2.805 3.069 . 0 0 "[ . 1 . 2]" 1
182 1 28 . O 1 35 ILE H . . 2.100 1.971 1.747 2.172 0.072 12 0 "[ . 1 . 2]" 1
183 1 28 . O 1 35 ILE N . . 3.200 2.894 2.743 3.006 . 0 0 "[ . 1 . 2]" 1
184 1 29 ILE H 1 29 ILE HA . . 3.000 2.979 2.964 2.992 . 0 0 "[ . 1 . 2]" 1
185 1 29 ILE H 1 29 ILE HB . . 3.000 2.690 2.458 2.916 . 0 0 "[ . 1 . 2]" 1
186 1 29 ILE H 1 29 ILE MD . . 5.000 4.190 3.437 4.423 . 0 0 "[ . 1 . 2]" 1
187 1 29 ILE H 1 29 ILE QG . . 3.000 2.688 2.459 2.931 . 0 0 "[ . 1 . 2]" 1
188 1 29 ILE H 1 29 ILE MG . . 4.000 3.898 3.788 3.987 . 0 0 "[ . 1 . 2]" 1
189 1 29 ILE HA 1 30 . H . . 2.500 2.193 2.067 2.359 . 0 0 "[ . 1 . 2]" 1
190 1 29 ILE HA 1 35 ILE H . . 4.000 2.877 2.530 3.189 . 0 0 "[ . 1 . 2]" 1
191 1 29 ILE HA 1 35 ILE QG . . 5.000 4.394 3.951 4.891 . 0 0 "[ . 1 . 2]" 1
192 1 29 ILE HB 1 30 . H . . 5.000 4.183 3.948 4.392 . 0 0 "[ . 1 . 2]" 1
193 1 29 ILE MD 1 30 . H . . 5.000 5.011 4.358 5.098 0.098 14 0 "[ . 1 . 2]" 1
194 1 29 ILE QG 1 30 . H . . 5.000 4.350 4.176 4.938 . 0 0 "[ . 1 . 2]" 1
195 1 29 ILE MG 1 30 . H . . 5.000 2.725 2.394 3.166 . 0 0 "[ . 1 . 2]" 1
196 1 30 . H 1 30 . HA . . 3.000 2.988 2.927 3.022 0.022 12 0 "[ . 1 . 2]" 1
197 1 30 . H 1 36 . HA . . 4.000 2.533 2.421 2.636 . 0 0 "[ . 1 . 2]" 1
198 1 30 . H 1 36 . HB2 . . 5.000 5.065 5.051 5.075 0.075 17 0 "[ . 1 . 2]" 1
199 1 30 . H 1 36 . HB3 . . 5.000 3.783 3.674 3.876 . 0 0 "[ . 1 . 2]" 1
200 1 30 . HA 1 31 . H . . 2.500 2.229 2.130 2.422 . 0 0 "[ . 1 . 2]" 1
201 1 30 . O 1 37 VAL H . . 2.100 2.012 1.824 2.148 0.048 7 0 "[ . 1 . 2]" 1
202 1 30 . O 1 37 VAL N . . 3.200 2.957 2.823 3.061 . 0 0 "[ . 1 . 2]" 1
203 1 31 . CB 1 31 . H . . 8.400 2.883 2.609 3.031 . 0 0 "[ . 1 . 2]" 1
204 1 31 . CB 1 32 . H . . 7.400 3.612 3.453 3.876 . 0 0 "[ . 1 . 2]" 1
205 1 31 . CB 1 37 VAL H . . 7.400 4.666 4.307 5.032 . 0 0 "[ . 1 . 2]" 1
206 1 31 . H 1 31 . HA . . 3.000 2.952 2.922 2.983 . 0 0 "[ . 1 . 2]" 1
207 1 31 . HA 1 32 . H . . 2.500 2.206 2.120 2.279 . 0 0 "[ . 1 . 2]" 1
208 1 31 . HA 1 37 VAL H . . 4.000 2.819 2.604 3.081 . 0 0 "[ . 1 . 2]" 1
209 1 32 . H 1 32 . HA . . 3.000 2.933 2.866 2.972 . 0 0 "[ . 1 . 2]" 1
210 1 32 . H 1 37 VAL O . . 2.100 2.091 1.900 2.176 0.076 3 0 "[ . 1 . 2]" 1
211 1 32 . H 1 38 . HA . . 4.000 3.064 2.760 3.546 . 0 0 "[ . 1 . 2]" 1
212 1 32 . HA 1 33 GLY H . . 2.500 2.200 2.086 2.358 . 0 0 "[ . 1 . 2]" 1
213 1 32 . N 1 37 VAL O . . 3.200 3.049 2.866 3.157 . 0 0 "[ . 1 . 2]" 1
214 1 33 GLY H 1 33 GLY HA2 . . 3.000 2.942 2.910 2.997 . 0 0 "[ . 1 . 2]" 1
215 1 33 GLY HA2 1 34 . H . . 2.500 2.199 2.121 2.443 . 0 0 "[ . 1 . 2]" 1
216 1 33 GLY HA2 1 39 ALA H . . 4.000 2.546 2.086 3.041 . 0 0 "[ . 1 . 2]" 1
217 1 34 . H 1 34 . HA . . 3.000 2.956 2.936 2.974 . 0 0 "[ . 1 . 2]" 1
218 1 34 . H 1 34 . HB2 . . 3.000 2.782 2.671 2.904 . 0 0 "[ . 1 . 2]" 1
219 1 34 . H 1 34 . HB3 . . 4.000 3.222 2.752 3.416 . 0 0 "[ . 1 . 2]" 1
220 1 34 . H 1 39 ALA O . . 2.100 1.904 1.782 2.153 0.053 15 0 "[ . 1 . 2]" 1
221 1 34 . H 1 40 . HA . . 4.000 3.036 2.705 3.687 . 0 0 "[ . 1 . 2]" 1
222 1 34 . HA 1 35 ILE H . . 2.500 2.237 2.174 2.297 . 0 0 "[ . 1 . 2]" 1
223 1 34 . HB2 1 40 . HA . . 3.000 2.466 2.178 2.856 . 0 0 "[ . 1 . 2]" 1
224 1 34 . HB3 1 40 . HA . . 4.500 4.130 3.875 4.495 . 0 0 "[ . 1 . 2]" 1
225 1 34 . N 1 39 ALA O . . 3.200 2.867 2.775 3.050 . 0 0 "[ . 1 . 2]" 1
226 1 34 . O 1 41 VAL H . . 2.100 2.111 1.974 2.169 0.069 2 0 "[ . 1 . 2]" 1
227 1 34 . O 1 41 VAL N . . 3.200 3.036 2.890 3.135 . 0 0 "[ . 1 . 2]" 1
228 1 35 ILE H 1 35 ILE HA . . 3.000 2.957 2.912 2.980 . 0 0 "[ . 1 . 2]" 1
229 1 35 ILE H 1 35 ILE HB . . 3.000 2.815 2.461 3.077 0.077 14 0 "[ . 1 . 2]" 1
230 1 35 ILE H 1 35 ILE MD . . 5.000 4.490 3.343 4.732 . 0 0 "[ . 1 . 2]" 1
231 1 35 ILE H 1 35 ILE QG . . 4.000 3.546 2.330 4.057 0.057 12 0 "[ . 1 . 2]" 1
232 1 35 ILE H 1 35 ILE MG . . 4.000 2.826 1.903 3.905 . 0 0 "[ . 1 . 2]" 1
233 1 35 ILE HA 1 36 . H . . 2.500 2.213 2.102 2.297 . 0 0 "[ . 1 . 2]" 1
234 1 35 ILE HA 1 41 VAL H . . 4.000 2.586 2.381 2.887 . 0 0 "[ . 1 . 2]" 1
235 1 35 ILE MD 1 36 . H . . 4.000 3.998 3.813 4.088 0.088 17 0 "[ . 1 . 2]" 1
236 1 35 ILE MD 1 41 VAL H . . 5.000 4.431 2.465 5.080 0.080 14 0 "[ . 1 . 2]" 1
237 1 35 ILE MD 1 42 . HA . . 5.000 4.907 4.576 5.090 0.090 9 0 "[ . 1 . 2]" 1
238 1 36 . H 1 36 . HB2 . . 3.000 2.560 2.354 2.733 . 0 0 "[ . 1 . 2]" 1
239 1 36 . H 1 36 . HB3 . . 4.000 3.133 2.689 3.458 . 0 0 "[ . 1 . 2]" 1
240 1 36 . H 1 41 VAL O . . 2.100 2.093 1.880 2.166 0.066 19 0 "[ . 1 . 2]" 1
241 1 36 . H 1 42 . HA . . 4.000 2.700 2.393 2.991 . 0 0 "[ . 1 . 2]" 1
242 1 36 . HA 1 37 VAL H . . 2.500 2.236 2.170 2.327 . 0 0 "[ . 1 . 2]" 1
243 1 36 . HB2 1 37 VAL H . . 5.000 4.400 4.052 4.546 . 0 0 "[ . 1 . 2]" 1
244 1 36 . HB3 1 37 VAL H . . 5.000 4.379 4.148 4.584 . 0 0 "[ . 1 . 2]" 1
245 1 36 . N 1 41 VAL O . . 3.200 3.022 2.873 3.139 . 0 0 "[ . 1 . 2]" 1
246 1 36 . O 1 43 VAL H . . 2.100 1.954 1.819 2.145 0.045 8 0 "[ . 1 . 2]" 1
247 1 36 . O 1 43 VAL N . . 3.200 2.902 2.756 3.092 . 0 0 "[ . 1 . 2]" 1
248 1 37 VAL H 1 37 VAL HA . . 3.000 2.955 2.912 2.989 . 0 0 "[ . 1 . 2]" 1
249 1 37 VAL HA 1 38 . H . . 2.500 2.178 2.086 2.280 . 0 0 "[ . 1 . 2]" 1
250 1 37 VAL HA 1 43 VAL H . . 4.000 2.741 2.363 3.029 . 0 0 "[ . 1 . 2]" 1
251 1 37 VAL MG1 1 38 . H . . 6.000 3.663 2.558 4.312 . 0 0 "[ . 1 . 2]" 1
252 1 37 VAL MG2 1 38 . H . . 6.000 3.416 2.472 4.403 . 0 0 "[ . 1 . 2]" 1
253 1 38 . H 1 38 . HA . . 3.500 2.940 2.852 3.000 . 0 0 "[ . 1 . 2]" 1
254 1 38 . H 1 43 VAL O . . 2.100 1.968 1.759 2.162 0.062 13 0 "[ . 1 . 2]" 1
255 1 38 . H 1 44 . HA . . 4.000 2.728 2.391 3.105 . 0 0 "[ . 1 . 2]" 1
256 1 38 . HA 1 39 ALA H . . 2.500 2.189 2.082 2.332 . 0 0 "[ . 1 . 2]" 1
257 1 38 . N 1 43 VAL O . . 3.200 2.926 2.764 3.122 . 0 0 "[ . 1 . 2]" 1
258 1 38 . O 1 45 . H . . 2.100 2.065 1.864 2.172 0.072 9 0 "[ . 1 . 2]" 1
259 1 38 . O 1 45 . N . . 3.200 3.027 2.839 3.153 . 0 0 "[ . 1 . 2]" 1
260 1 39 ALA H 1 39 ALA HA . . 3.000 2.952 2.901 2.987 . 0 0 "[ . 1 . 2]" 1
261 1 39 ALA H 1 39 ALA MB . . 3.000 2.526 2.284 2.665 . 0 0 "[ . 1 . 2]" 1
262 1 39 ALA HA 1 40 . H . . 2.500 2.166 2.039 2.385 . 0 0 "[ . 1 . 2]" 1
263 1 39 ALA HA 1 45 . H . . 4.000 2.646 2.250 2.868 . 0 0 "[ . 1 . 2]" 1
264 1 39 ALA MB 1 40 . H . . 3.000 2.981 2.420 3.085 0.085 11 0 "[ . 1 . 2]" 1
265 1 40 . H 1 40 . HA . . 3.000 2.968 2.930 2.990 . 0 0 "[ . 1 . 2]" 1
266 1 40 . H 1 40 . HB2 . . 3.000 2.848 2.371 2.986 . 0 0 "[ . 1 . 2]" 1
267 1 40 . H 1 40 . HB3 . . 4.000 3.168 2.683 3.403 . 0 0 "[ . 1 . 2]" 1
268 1 40 . H 1 45 . O . . 2.100 1.971 1.830 2.160 0.060 14 0 "[ . 1 . 2]" 1
269 1 40 . H 1 46 . HA . . 4.000 2.648 2.431 3.117 . 0 0 "[ . 1 . 2]" 1
270 1 40 . HA 1 41 VAL H . . 2.500 2.308 2.189 2.418 . 0 0 "[ . 1 . 2]" 1
271 1 40 . HB2 1 46 . HA . . 3.500 3.004 2.462 3.361 . 0 0 "[ . 1 . 2]" 1
272 1 40 . HB3 1 46 . HA . . 4.500 4.437 4.067 4.567 0.067 19 0 "[ . 1 . 2]" 1
273 1 40 . N 1 45 . O . . 3.200 2.931 2.813 3.130 . 0 0 "[ . 1 . 2]" 1
274 1 40 . O 1 47 GLN H . . 2.100 2.059 1.884 2.170 0.070 2 0 "[ . 1 . 2]" 1
275 1 40 . O 1 47 GLN N . . 3.200 2.974 2.820 3.147 . 0 0 "[ . 1 . 2]" 1
276 1 41 VAL H 1 41 VAL HA . . 3.000 2.942 2.868 2.985 . 0 0 "[ . 1 . 2]" 1
277 1 41 VAL H 1 41 VAL HB . . 4.000 3.114 2.576 3.581 . 0 0 "[ . 1 . 2]" 1
278 1 41 VAL HA 1 42 . H . . 2.500 2.249 2.089 2.402 . 0 0 "[ . 1 . 2]" 1
279 1 41 VAL HA 1 47 GLN H . . 4.000 2.403 2.123 2.672 . 0 0 "[ . 1 . 2]" 1
280 1 41 VAL HA 1 47 GLN HB3 . . 6.000 3.502 2.520 4.696 . 0 0 "[ . 1 . 2]" 1
281 1 41 VAL HB 1 47 GLN H . . 5.000 4.437 3.204 5.078 0.078 1 0 "[ . 1 . 2]" 1
282 1 42 . H 1 42 . HA . . 3.000 2.974 2.924 2.991 . 0 0 "[ . 1 . 2]" 1
283 1 42 . H 1 42 . HB2 . . 4.000 3.380 2.479 3.940 . 0 0 "[ . 1 . 2]" 1
284 1 42 . H 1 42 . HB3 . . 4.000 2.842 2.351 3.727 . 0 0 "[ . 1 . 2]" 1
285 1 42 . H 1 47 GLN O . . 2.100 1.969 1.744 2.171 0.071 6 0 "[ . 1 . 2]" 1
286 1 42 . H 1 48 . HA . . 4.000 2.775 2.499 3.231 . 0 0 "[ . 1 . 2]" 1
287 1 42 . HA 1 43 VAL H . . 2.500 2.204 2.119 2.324 . 0 0 "[ . 1 . 2]" 1
288 1 42 . HB2 1 48 . HB . . 6.000 4.599 2.853 6.047 0.047 3 0 "[ . 1 . 2]" 1
289 1 42 . HB3 1 43 VAL H . . 5.000 4.446 3.190 4.672 . 0 0 "[ . 1 . 2]" 1
290 1 42 . HB3 1 48 . HB . . 6.000 4.150 2.337 6.046 0.046 18 0 "[ . 1 . 2]" 1
291 1 42 . N 1 47 GLN O . . 3.200 2.910 2.754 3.102 . 0 0 "[ . 1 . 2]" 1
292 1 42 . O 1 49 THR H . . 2.000 2.034 1.901 2.076 0.076 19 0 "[ . 1 . 2]" 1
293 1 42 . O 1 49 THR N . . 3.200 2.939 2.810 3.052 . 0 0 "[ . 1 . 2]" 1
294 1 43 VAL H 1 43 VAL HA . . 3.000 2.964 2.928 3.006 0.006 12 0 "[ . 1 . 2]" 1
295 1 43 VAL H 1 43 VAL HB . . 3.000 2.678 2.397 2.860 . 0 0 "[ . 1 . 2]" 1
296 1 43 VAL HA 1 44 . H . . 2.500 2.234 2.074 2.365 . 0 0 "[ . 1 . 2]" 1
297 1 43 VAL HA 1 49 THR H . . 4.000 2.909 2.479 3.450 . 0 0 "[ . 1 . 2]" 1
298 1 44 . H 1 44 . HA . . 3.000 2.972 2.886 2.996 . 0 0 "[ . 1 . 2]" 1
299 1 44 . H 1 44 . HB2 . . 3.000 2.716 2.478 3.043 0.043 2 0 "[ . 1 . 2]" 1
300 1 44 . H 1 44 . HB3 . . 4.000 3.116 2.818 3.539 . 0 0 "[ . 1 . 2]" 1
301 1 44 . HA 1 45 . H . . 2.500 2.216 2.127 2.396 . 0 0 "[ . 1 . 2]" 1
302 1 44 . HB2 1 44 . HD21 . . 3.000 3.570 3.528 3.640 0.640 19 20 [********-*********+*] 1
303 1 44 . HB3 1 44 . HD21 . . 4.000 4.047 3.856 4.145 0.145 19 0 "[ . 1 . 2]" 1
304 1 45 . CB 1 45 . H . . 5.000 2.893 2.724 3.025 . 0 0 "[ . 1 . 2]" 1
305 1 45 . H 1 45 . HA . . 3.000 2.960 2.909 2.998 . 0 0 "[ . 1 . 2]" 1
306 1 45 . HA 1 46 . H . . 2.500 2.254 2.102 2.389 . 0 0 "[ . 1 . 2]" 1
307 1 46 . H 1 46 . HA . . 4.000 2.967 2.903 2.998 . 0 0 "[ . 1 . 2]" 1
308 1 46 . H 1 46 . HB2 . . 4.000 3.101 2.476 3.764 . 0 0 "[ . 1 . 2]" 1
309 1 46 . H 1 46 . HB3 . . 4.000 3.224 2.327 3.939 . 0 0 "[ . 1 . 2]" 1
310 1 46 . HA 1 47 GLN H . . 2.500 2.243 2.152 2.366 . 0 0 "[ . 1 . 2]" 1
311 1 46 . HB2 1 46 . HD21 . . 4.000 3.633 2.207 4.115 0.115 11 0 "[ . 1 . 2]" 1
312 1 46 . HB3 1 46 . HD21 . . 4.000 3.654 2.203 4.157 0.157 4 0 "[ . 1 . 2]" 1
313 1 47 GLN HA 1 48 . H . . 2.500 2.250 2.125 2.378 . 0 0 "[ . 1 . 2]" 1
314 1 47 GLN HG3 1 48 . H . . 6.000 4.198 2.220 5.647 . 0 0 "[ . 1 . 2]" 1
315 1 48 . H 1 48 . HA . . 3.000 2.943 2.882 2.981 . 0 0 "[ . 1 . 2]" 1
316 1 48 . H 1 48 . HB . . 4.000 3.393 2.820 3.926 . 0 0 "[ . 1 . 2]" 1
317 1 48 . HA 1 49 THR H . . 2.500 2.241 2.113 2.420 . 0 0 "[ . 1 . 2]" 1
318 1 49 THR H 1 49 THR HA . . 3.000 2.942 2.854 2.998 . 0 0 "[ . 1 . 2]" 1
319 1 49 THR H 1 49 THR HB . . 4.000 2.826 2.245 3.815 . 0 0 "[ . 1 . 2]" 1
320 1 49 THR H 1 49 THR MG . . 4.000 3.489 2.254 4.005 0.005 15 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 3:23:09 PM GMT (wattos1)