NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386819 |
1m23   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m23
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 302
_Distance_constraint_stats_list.Viol_count 499
_Distance_constraint_stats_list.Viol_total 669.950
_Distance_constraint_stats_list.Viol_max 0.444
_Distance_constraint_stats_list.Viol_rms 0.0640
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0222
_Distance_constraint_stats_list.Viol_average_violations_only 0.1343
_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 TYR 4.741 0.320 1 0 "[ . 1]"
1 2 LEU 12.494 0.320 1 0 "[ . 1]"
1 3 ARG 6.342 0.226 1 0 "[ . 1]"
1 4 ARG 9.022 0.304 2 0 "[ . 1]"
1 5 PHE 12.368 0.371 5 0 "[ . 1]"
1 6 PHE 7.844 0.283 1 0 "[ . 1]"
1 7 LYS 4.689 0.298 8 0 "[ . 1]"
1 8 ALA 4.550 0.198 2 0 "[ . 1]"
1 9 LYS 2.729 0.289 10 0 "[ . 1]"
1 10 LYS 0.216 0.030 6 0 "[ . 1]"
1 11 LEU 5.044 0.246 7 0 "[ . 1]"
1 12 ILE 12.031 0.331 3 0 "[ . 1]"
1 13 GLU 12.709 0.444 3 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 TYR HA 1 1 TYR QD 1.800 . 4.200 2.989 1.950 3.160 . 0 0 "[ . 1]" 1
2 1 1 TYR HA 1 2 LEU H 1.800 . 4.000 3.351 3.288 3.504 . 0 0 "[ . 1]" 1
3 1 1 TYR HA 1 3 ARG H 1.800 . 5.500 4.078 3.470 4.166 . 0 0 "[ . 1]" 1
4 1 1 TYR HA 1 4 ARG H 1.800 . 4.000 4.186 4.001 4.259 0.259 8 0 "[ . 1]" 1
5 1 1 TYR HB2 1 2 LEU H 1.800 . 2.700 1.888 1.740 3.020 0.320 1 0 "[ . 1]" 1
6 1 1 TYR HB2 1 2 LEU MD1 1.800 . 6.500 2.961 2.798 3.288 . 0 0 "[ . 1]" 1
7 1 1 TYR HB2 1 2 LEU MD2 1.800 . 6.500 5.305 5.211 5.906 . 0 0 "[ . 1]" 1
8 1 1 TYR HB3 1 2 LEU H 1.800 . 2.700 2.501 2.418 2.578 . 0 0 "[ . 1]" 1
9 1 1 TYR HB3 1 2 LEU MD1 1.800 . 6.500 2.966 2.801 3.161 . 0 0 "[ . 1]" 1
10 1 1 TYR HB3 1 2 LEU MD2 1.800 . 6.500 5.479 5.183 5.667 . 0 0 "[ . 1]" 1
11 1 1 TYR QD 1 2 LEU H 1.800 . 4.200 3.856 3.755 4.239 0.039 1 0 "[ . 1]" 1
12 1 1 TYR QD 1 2 LEU HA 1.800 . 7.000 5.790 4.805 5.920 . 0 0 "[ . 1]" 1
13 1 1 TYR QD 1 2 LEU MD1 1.800 . 8.000 4.394 4.305 4.635 . 0 0 "[ . 1]" 1
14 1 1 TYR QD 1 2 LEU MD2 1.800 . 8.000 6.410 6.365 6.441 . 0 0 "[ . 1]" 1
15 1 1 TYR QD 1 3 ARG H 1.800 . 5.500 3.839 3.603 4.359 . 0 0 "[ . 1]" 1
16 1 1 TYR QD 1 3 ARG HB2 1.800 . 7.000 4.072 3.734 4.536 . 0 0 "[ . 1]" 1
17 1 1 TYR QD 1 3 ARG HB3 1.800 . 7.000 5.522 5.327 5.716 . 0 0 "[ . 1]" 1
18 1 1 TYR QD 1 3 ARG QG 1.800 . 7.500 4.043 2.721 5.912 . 0 0 "[ . 1]" 1
19 1 1 TYR QD 1 4 ARG H 1.800 . 7.000 5.188 3.680 5.443 . 0 0 "[ . 1]" 1
20 1 1 TYR QD 1 4 ARG QG 1.800 . 7.500 5.426 2.467 6.014 . 0 0 "[ . 1]" 1
21 1 1 TYR QE 1 2 LEU H 1.800 . 7.000 5.940 5.871 6.349 . 0 0 "[ . 1]" 1
22 1 1 TYR QE 1 2 LEU MD1 1.800 . 8.000 6.057 5.960 6.409 . 0 0 "[ . 1]" 1
23 1 1 TYR QE 1 2 LEU MD2 1.800 . 8.000 8.118 8.091 8.150 0.150 5 0 "[ . 1]" 1
24 1 1 TYR QE 1 3 ARG H 1.800 . 7.000 6.006 5.723 6.512 . 0 0 "[ . 1]" 1
25 1 1 TYR QE 1 3 ARG HB2 1.800 . 7.000 5.723 5.457 6.303 . 0 0 "[ . 1]" 1
26 1 1 TYR QE 1 3 ARG HB3 1.800 . 7.000 6.924 6.610 7.163 0.163 1 0 "[ . 1]" 1
27 1 1 TYR QE 1 3 ARG QG 1.800 . 7.500 5.360 4.120 7.426 . 0 0 "[ . 1]" 1
28 1 1 TYR QE 1 4 ARG H 1.800 . 7.000 6.914 5.322 7.123 0.123 7 0 "[ . 1]" 1
29 1 1 TYR QE 1 4 ARG QG 1.800 . 7.500 6.712 3.083 7.410 . 0 0 "[ . 1]" 1
30 1 2 LEU H 1 2 LEU HA 1.800 . 2.700 2.759 2.729 2.778 0.078 3 0 "[ . 1]" 1
31 1 2 LEU H 1 2 LEU HB2 1.800 . 2.700 2.164 2.138 2.234 . 0 0 "[ . 1]" 1
32 1 2 LEU H 1 2 LEU HB3 1.800 . 4.000 3.465 3.452 3.499 . 0 0 "[ . 1]" 1
33 1 2 LEU H 1 2 LEU MD1 1.800 . 5.000 2.006 1.843 2.160 . 0 0 "[ . 1]" 1
34 1 2 LEU H 1 2 LEU MD2 1.800 . 5.000 3.951 3.905 3.980 . 0 0 "[ . 1]" 1
35 1 2 LEU H 1 2 LEU HG 1.800 . 2.700 2.916 2.877 2.947 0.247 5 0 "[ . 1]" 1
36 1 2 LEU H 1 3 ARG H 1.800 . 2.700 2.798 2.741 2.926 0.226 1 0 "[ . 1]" 1
37 1 2 LEU H 1 3 ARG HB2 1.800 . 5.500 4.773 4.603 5.052 . 0 0 "[ . 1]" 1
38 1 2 LEU H 1 4 ARG H 1.800 . 5.500 4.633 4.532 4.909 . 0 0 "[ . 1]" 1
39 1 2 LEU H 1 5 PHE QE 1.800 . 7.000 5.652 5.575 5.695 . 0 0 "[ . 1]" 1
40 1 2 LEU HA 1 2 LEU HB2 1.800 . 2.700 2.957 2.952 2.963 0.263 3 0 "[ . 1]" 1
41 1 2 LEU HA 1 2 LEU HB3 1.800 . 2.700 2.588 2.575 2.601 . 0 0 "[ . 1]" 1
42 1 2 LEU HA 1 2 LEU MD1 1.800 . 3.700 3.231 3.166 3.249 . 0 0 "[ . 1]" 1
43 1 2 LEU HA 1 2 LEU MD2 1.800 . 3.700 3.193 3.142 3.232 . 0 0 "[ . 1]" 1
44 1 2 LEU HA 1 2 LEU HG 1.800 . 2.700 1.946 1.928 1.967 . 0 0 "[ . 1]" 1
45 1 2 LEU HA 1 3 ARG H 1.800 . 4.000 3.433 3.415 3.447 . 0 0 "[ . 1]" 1
46 1 2 LEU HA 1 3 ARG HB2 1.800 . 5.500 5.356 5.209 5.484 . 0 0 "[ . 1]" 1
47 1 2 LEU HA 1 4 ARG H 1.800 . 5.500 4.057 3.960 4.165 . 0 0 "[ . 1]" 1
48 1 2 LEU HA 1 5 PHE H 1.800 . 5.500 2.700 2.630 2.766 . 0 0 "[ . 1]" 1
49 1 2 LEU HA 1 5 PHE HB2 1.800 . 4.000 3.338 3.287 3.370 . 0 0 "[ . 1]" 1
50 1 2 LEU HA 1 5 PHE HB3 1.800 . 4.000 1.784 1.753 1.802 0.047 1 0 "[ . 1]" 1
51 1 2 LEU HA 1 5 PHE QD 1.800 . 7.000 1.922 1.874 1.999 . 0 0 "[ . 1]" 1
52 1 2 LEU HA 1 6 PHE H 1.800 . 5.500 3.264 3.137 3.451 . 0 0 "[ . 1]" 1
53 1 2 LEU HB2 1 2 LEU MD1 1.800 . 5.000 1.978 1.920 2.107 . 0 0 "[ . 1]" 1
54 1 2 LEU HB2 1 2 LEU MD2 1.800 . 5.000 2.843 2.817 2.866 . 0 0 "[ . 1]" 1
55 1 2 LEU HB3 1 2 LEU MD1 1.800 . 5.000 3.020 2.994 3.044 . 0 0 "[ . 1]" 1
56 1 2 LEU HB3 1 2 LEU MD2 1.800 . 5.000 1.966 1.938 2.008 . 0 0 "[ . 1]" 1
57 1 2 LEU MD1 1 3 ARG H 1.800 . 6.500 4.211 4.086 4.307 . 0 0 "[ . 1]" 1
58 1 2 LEU MD1 1 3 ARG HE 1.800 . 6.500 4.901 4.717 5.511 . 0 0 "[ . 1]" 1
59 1 2 LEU MD1 1 4 ARG H 1.800 . 6.500 5.835 5.716 5.956 . 0 0 "[ . 1]" 1
60 1 2 LEU MD1 1 4 ARG HE 1.800 . 6.500 5.421 5.119 6.013 . 0 0 "[ . 1]" 1
61 1 2 LEU MD1 1 5 PHE H 1.800 . 6.500 5.290 5.239 5.354 . 0 0 "[ . 1]" 1
62 1 2 LEU MD1 1 5 PHE HA 1.800 . 6.500 6.575 6.565 6.586 0.086 7 0 "[ . 1]" 1
63 1 2 LEU MD1 1 5 PHE HB2 1.800 . 6.500 5.075 5.044 5.102 . 0 0 "[ . 1]" 1
64 1 2 LEU MD1 1 5 PHE HB3 1.800 . 6.500 4.238 4.219 4.263 . 0 0 "[ . 1]" 1
65 1 2 LEU MD1 1 5 PHE QD 1.800 . 8.000 4.116 4.093 4.133 . 0 0 "[ . 1]" 1
66 1 2 LEU MD1 1 5 PHE QE 1.800 . 8.000 4.199 4.136 4.241 . 0 0 "[ . 1]" 1
67 1 2 LEU MD1 1 6 PHE HA 1.800 . 6.500 6.671 6.620 6.726 0.226 5 0 "[ . 1]" 1
68 1 2 LEU MD1 1 6 PHE HB2 1.800 . 6.500 5.305 5.190 5.435 . 0 0 "[ . 1]" 1
69 1 2 LEU MD1 1 6 PHE QD 1.800 . 8.000 5.770 5.075 6.044 . 0 0 "[ . 1]" 1
70 1 2 LEU MD1 1 6 PHE QE 1.800 . 8.000 6.824 6.308 7.116 . 0 0 "[ . 1]" 1
71 1 2 LEU MD2 1 3 ARG H 1.800 . 6.500 5.152 5.128 5.178 . 0 0 "[ . 1]" 1
72 1 2 LEU MD2 1 3 ARG HE 1.800 . 6.500 4.938 4.754 5.451 . 0 0 "[ . 1]" 1
73 1 2 LEU MD2 1 4 ARG H 1.800 . 6.500 6.400 6.352 6.516 0.016 1 0 "[ . 1]" 1
74 1 2 LEU MD2 1 4 ARG HE 1.800 . 6.500 6.530 6.471 6.560 0.060 4 0 "[ . 1]" 1
75 1 2 LEU MD2 1 5 PHE H 1.800 . 6.500 5.312 5.280 5.346 . 0 0 "[ . 1]" 1
76 1 2 LEU MD2 1 5 PHE HA 1.800 . 6.500 6.054 6.035 6.085 . 0 0 "[ . 1]" 1
77 1 2 LEU MD2 1 5 PHE HB2 1.800 . 6.500 5.074 5.011 5.157 . 0 0 "[ . 1]" 1
78 1 2 LEU MD2 1 5 PHE QD 1.800 . 8.000 2.934 2.886 2.972 . 0 0 "[ . 1]" 1
79 1 2 LEU MD2 1 5 PHE QE 1.800 . 8.000 1.898 1.813 1.954 . 0 0 "[ . 1]" 1
80 1 2 LEU MD2 1 6 PHE HA 1.800 . 6.500 4.640 4.571 4.693 . 0 0 "[ . 1]" 1
81 1 2 LEU MD2 1 6 PHE HB2 1.800 . 6.500 3.554 3.305 3.705 . 0 0 "[ . 1]" 1
82 1 2 LEU MD2 1 6 PHE QD 1.800 . 8.000 3.701 2.778 4.298 . 0 0 "[ . 1]" 1
83 1 2 LEU MD2 1 6 PHE QE 1.800 . 8.000 4.637 4.019 5.157 . 0 0 "[ . 1]" 1
84 1 2 LEU HG 1 3 ARG H 1.800 . 5.500 4.778 4.761 4.802 . 0 0 "[ . 1]" 1
85 1 2 LEU HG 1 5 PHE HA 1.800 . 5.500 5.633 5.618 5.647 0.147 2 0 "[ . 1]" 1
86 1 2 LEU HG 1 5 PHE QD 1.800 . 7.000 2.864 2.823 2.899 . 0 0 "[ . 1]" 1
87 1 3 ARG H 1 3 ARG HA 1.800 . 2.700 2.822 2.795 2.837 0.137 5 0 "[ . 1]" 1
88 1 3 ARG H 1 3 ARG HB2 1.800 . 2.700 2.199 2.021 2.460 . 0 0 "[ . 1]" 1
89 1 3 ARG H 1 3 ARG HB3 1.800 . 4.000 3.470 3.391 3.531 . 0 0 "[ . 1]" 1
90 1 3 ARG H 1 3 ARG QD 1.800 . 6.000 2.790 1.820 4.010 . 0 0 "[ . 1]" 1
91 1 3 ARG H 1 3 ARG QG 1.800 . 3.200 2.786 1.941 3.397 0.197 3 0 "[ . 1]" 1
92 1 3 ARG H 1 4 ARG H 1.800 . 2.700 2.711 2.625 2.830 0.130 1 0 "[ . 1]" 1
93 1 3 ARG H 1 5 PHE H 1.800 . 4.000 3.695 3.640 3.745 . 0 0 "[ . 1]" 1
94 1 3 ARG H 1 5 PHE QD 1.800 . 7.000 4.672 4.614 4.739 . 0 0 "[ . 1]" 1
95 1 3 ARG H 1 6 PHE HB2 1.800 . 5.500 4.887 4.851 4.948 . 0 0 "[ . 1]" 1
96 1 3 ARG H 1 6 PHE HB3 1.800 . 5.500 5.549 5.505 5.584 0.084 4 0 "[ . 1]" 1
97 1 3 ARG HA 1 3 ARG HE 1.800 . 5.500 1.861 1.739 1.982 0.061 1 0 "[ . 1]" 1
98 1 3 ARG HA 1 4 ARG H 1.800 . 4.000 3.561 3.541 3.577 . 0 0 "[ . 1]" 1
99 1 3 ARG HA 1 6 PHE H 1.800 . 4.000 4.122 4.101 4.140 0.140 8 0 "[ . 1]" 1
100 1 3 ARG HA 1 6 PHE QD 1.800 . 7.000 4.781 4.332 5.119 . 0 0 "[ . 1]" 1
101 1 3 ARG HA 1 7 LYS H 1.800 . 5.500 4.274 4.068 4.480 . 0 0 "[ . 1]" 1
102 1 3 ARG HB2 1 3 ARG HE 1.800 . 4.000 3.732 3.491 4.006 0.006 9 0 "[ . 1]" 1
103 1 3 ARG HB2 1 4 ARG H 1.800 . 4.000 2.555 2.421 2.664 . 0 0 "[ . 1]" 1
104 1 3 ARG HB3 1 3 ARG QD 1.800 . 3.200 2.902 2.407 3.352 0.152 10 0 "[ . 1]" 1
105 1 3 ARG HB3 1 3 ARG HE 1.800 . 4.000 3.898 3.823 4.044 0.044 1 0 "[ . 1]" 1
106 1 3 ARG QD 1 3 ARG QG 1.800 . 3.700 2.059 2.055 2.062 . 0 0 "[ . 1]" 1
107 1 3 ARG QD 1 4 ARG H 1.800 . 6.000 4.433 3.991 4.868 . 0 0 "[ . 1]" 1
108 1 3 ARG HE 1 5 PHE H 1.800 . 5.500 5.293 5.197 5.615 0.115 1 0 "[ . 1]" 1
109 1 3 ARG HE 1 7 LYS H 1.800 . 5.500 5.536 5.515 5.553 0.053 3 0 "[ . 1]" 1
110 1 4 ARG H 1 4 ARG HA 1.800 . 2.700 2.931 2.927 2.934 0.234 7 0 "[ . 1]" 1
111 1 4 ARG H 1 4 ARG QD 1.800 . 4.500 3.081 2.560 4.003 . 0 0 "[ . 1]" 1
112 1 4 ARG H 1 4 ARG QG 1.800 . 3.200 2.290 1.808 2.572 . 0 0 "[ . 1]" 1
113 1 4 ARG H 1 5 PHE H 1.800 . 2.700 2.269 2.248 2.282 . 0 0 "[ . 1]" 1
114 1 4 ARG H 1 5 PHE HA 1.800 . 5.500 4.919 4.875 4.939 . 0 0 "[ . 1]" 1
115 1 4 ARG H 1 5 PHE HB2 1.800 . 5.500 5.055 4.976 5.116 . 0 0 "[ . 1]" 1
116 1 4 ARG H 1 5 PHE HB3 1.800 . 5.500 3.749 3.722 3.771 . 0 0 "[ . 1]" 1
117 1 4 ARG H 1 5 PHE QD 1.800 . 7.000 4.856 4.766 4.967 . 0 0 "[ . 1]" 1
118 1 4 ARG HA 1 4 ARG QD 1.800 . 4.500 4.079 3.687 4.204 . 0 0 "[ . 1]" 1
119 1 4 ARG HA 1 4 ARG HE 1.800 . 5.500 5.253 4.619 5.507 0.007 7 0 "[ . 1]" 1
120 1 4 ARG HA 1 4 ARG QG 1.800 . 3.200 3.271 3.257 3.318 0.118 2 0 "[ . 1]" 1
121 1 4 ARG HA 1 5 PHE H 1.800 . 4.000 3.445 3.406 3.467 . 0 0 "[ . 1]" 1
122 1 4 ARG HA 1 5 PHE QD 1.800 . 5.500 5.766 5.736 5.804 0.304 2 0 "[ . 1]" 1
123 1 4 ARG HA 1 6 PHE QD 1.800 . 7.000 6.789 6.696 6.892 . 0 0 "[ . 1]" 1
124 1 4 ARG HA 1 8 ALA H 1.800 . 4.000 3.861 3.673 4.020 0.020 3 0 "[ . 1]" 1
125 1 4 ARG QB 1 4 ARG QD 1.800 . 3.700 1.986 1.901 2.038 . 0 0 "[ . 1]" 1
126 1 4 ARG QB 1 4 ARG HE 1.800 . 4.500 3.787 3.516 3.843 . 0 0 "[ . 1]" 1
127 1 4 ARG QB 1 4 ARG QG 1.800 . 3.700 2.059 2.047 2.068 . 0 0 "[ . 1]" 1
128 1 4 ARG QB 1 5 PHE H 1.800 . 4.500 3.616 3.576 3.675 . 0 0 "[ . 1]" 1
129 1 4 ARG QB 1 5 PHE HA 1.800 . 6.000 4.619 4.443 4.708 . 0 0 "[ . 1]" 1
130 1 4 ARG QD 1 4 ARG QG 1.800 . 3.700 2.087 2.067 2.095 . 0 0 "[ . 1]" 1
131 1 4 ARG HE 1 4 ARG QG 1.800 . 3.200 2.088 1.928 2.287 . 0 0 "[ . 1]" 1
132 1 4 ARG QG 1 5 PHE H 1.800 . 4.500 2.068 1.935 2.172 . 0 0 "[ . 1]" 1
133 1 5 PHE H 1 5 PHE HA 1.800 . 2.700 2.869 2.861 2.886 0.186 1 0 "[ . 1]" 1
134 1 5 PHE H 1 5 PHE HB2 1.800 . 2.700 3.048 3.024 3.071 0.371 5 0 "[ . 1]" 1
135 1 5 PHE H 1 5 PHE HB3 1.800 . 2.700 1.845 1.838 1.859 . 0 0 "[ . 1]" 1
136 1 5 PHE H 1 6 PHE H 1.800 . 4.000 2.344 2.282 2.398 . 0 0 "[ . 1]" 1
137 1 5 PHE H 1 6 PHE HB2 1.800 . 4.000 4.166 4.138 4.193 0.193 8 0 "[ . 1]" 1
138 1 5 PHE H 1 8 ALA MB 1.800 . 6.500 4.442 4.274 4.567 . 0 0 "[ . 1]" 1
139 1 5 PHE HA 1 5 PHE QD 1.800 . 4.200 3.484 3.460 3.501 . 0 0 "[ . 1]" 1
140 1 5 PHE HA 1 6 PHE H 1.800 . 4.000 3.420 3.401 3.432 . 0 0 "[ . 1]" 1
141 1 5 PHE HA 1 7 LYS H 1.800 . 5.500 5.316 5.181 5.438 . 0 0 "[ . 1]" 1
142 1 5 PHE HA 1 8 ALA H 1.800 . 4.000 4.044 4.001 4.085 0.085 2 0 "[ . 1]" 1
143 1 5 PHE HA 1 8 ALA MB 1.800 . 3.700 2.799 2.616 2.975 . 0 0 "[ . 1]" 1
144 1 5 PHE HA 1 9 LYS H 1.800 . 4.000 3.990 3.893 4.030 0.030 7 0 "[ . 1]" 1
145 1 5 PHE HA 1 9 LYS QG 1.800 . 6.000 5.410 3.383 5.737 . 0 0 "[ . 1]" 1
146 1 5 PHE QD 1 6 PHE HA 1.800 . 7.000 3.003 2.939 3.051 . 0 0 "[ . 1]" 1
147 1 5 PHE QD 1 7 LYS H 1.800 . 5.500 4.548 4.413 4.711 . 0 0 "[ . 1]" 1
148 1 5 PHE QD 1 8 ALA MB 1.800 . 8.000 4.943 4.785 5.080 . 0 0 "[ . 1]" 1
149 1 5 PHE QD 1 9 LYS HB2 1.800 . 7.000 4.981 4.820 5.188 . 0 0 "[ . 1]" 1
150 1 5 PHE QD 1 9 LYS HB3 1.800 . 7.000 6.046 5.820 6.402 . 0 0 "[ . 1]" 1
151 1 5 PHE QD 1 9 LYS QD 1.800 . 5.500 4.015 3.520 5.516 0.016 10 0 "[ . 1]" 1
152 1 5 PHE QD 1 9 LYS QG 1.800 . 7.500 5.491 3.777 5.826 . 0 0 "[ . 1]" 1
153 1 5 PHE QD 1 10 LYS QD 1.800 . 7.500 6.778 6.354 7.222 . 0 0 "[ . 1]" 1
154 1 5 PHE QE 1 6 PHE HA 1.800 . 5.500 3.366 3.304 3.420 . 0 0 "[ . 1]" 1
155 1 5 PHE QE 1 9 LYS HB3 1.800 . 7.000 5.870 5.633 6.234 . 0 0 "[ . 1]" 1
156 1 5 PHE QE 1 9 LYS QD 1.800 . 7.500 4.486 3.854 5.912 . 0 0 "[ . 1]" 1
157 1 5 PHE QE 1 9 LYS QG 1.800 . 7.500 5.553 4.069 5.948 . 0 0 "[ . 1]" 1
158 1 6 PHE H 1 7 LYS H 1.800 . 4.000 2.575 2.485 2.718 . 0 0 "[ . 1]" 1
159 1 6 PHE HA 1 6 PHE HB2 1.800 . 2.700 2.603 2.566 2.630 . 0 0 "[ . 1]" 1
160 1 6 PHE HA 1 6 PHE HB3 1.800 . 2.700 2.971 2.963 2.983 0.283 1 0 "[ . 1]" 1
161 1 6 PHE HA 1 6 PHE QD 1.800 . 4.200 2.012 1.867 2.762 . 0 0 "[ . 1]" 1
162 1 6 PHE HA 1 7 LYS H 1.800 . 4.000 3.576 3.567 3.586 . 0 0 "[ . 1]" 1
163 1 6 PHE HA 1 8 ALA H 1.800 . 5.500 4.044 3.932 4.170 . 0 0 "[ . 1]" 1
164 1 6 PHE HA 1 9 LYS HB2 1.800 . 4.000 3.831 3.364 4.000 . 0 0 "[ . 1]" 1
165 1 6 PHE HA 1 9 LYS HB3 1.800 . 5.500 4.729 4.379 5.038 . 0 0 "[ . 1]" 1
166 1 6 PHE HA 1 9 LYS QD 1.800 . 6.000 5.003 4.597 6.001 0.001 10 0 "[ . 1]" 1
167 1 6 PHE HA 1 9 LYS QG 1.800 . 6.000 5.679 4.168 5.960 . 0 0 "[ . 1]" 1
168 1 6 PHE HA 1 10 LYS H 1.800 . 4.000 3.663 3.402 3.973 . 0 0 "[ . 1]" 1
169 1 6 PHE HA 1 10 LYS QB 1.800 . 6.000 3.926 3.364 4.698 . 0 0 "[ . 1]" 1
170 1 6 PHE HA 1 10 LYS QD 1.800 . 6.000 4.513 4.111 4.970 . 0 0 "[ . 1]" 1
171 1 6 PHE HA 1 10 LYS QG 1.800 . 6.000 4.943 3.136 5.915 . 0 0 "[ . 1]" 1
172 1 6 PHE HB2 1 7 LYS H 1.800 . 4.000 3.323 3.275 3.354 . 0 0 "[ . 1]" 1
173 1 6 PHE HB3 1 7 LYS H 1.800 . 4.000 2.001 1.874 2.121 . 0 0 "[ . 1]" 1
174 1 6 PHE QD 1 7 LYS H 1.800 . 4.200 3.808 3.482 3.971 . 0 0 "[ . 1]" 1
175 1 6 PHE QD 1 9 LYS QG 1.800 . 7.500 6.349 5.851 6.597 . 0 0 "[ . 1]" 1
176 1 6 PHE QD 1 10 LYS QB 1.800 . 7.500 3.625 2.470 4.840 . 0 0 "[ . 1]" 1
177 1 6 PHE QD 1 10 LYS QG 1.800 . 7.500 4.042 1.836 5.409 . 0 0 "[ . 1]" 1
178 1 6 PHE QE 1 9 LYS QG 1.800 . 7.500 7.331 6.990 7.537 0.037 3 0 "[ . 1]" 1
179 1 6 PHE QE 1 10 LYS QG 1.800 . 7.500 3.995 2.501 5.176 . 0 0 "[ . 1]" 1
180 1 7 LYS H 1 7 LYS HA 1.800 . 2.700 2.783 2.762 2.807 0.107 6 0 "[ . 1]" 1
181 1 7 LYS H 1 7 LYS HB2 1.800 . 2.700 2.242 2.083 2.716 0.016 10 0 "[ . 1]" 1
182 1 7 LYS H 1 7 LYS HB3 1.800 . 2.700 2.620 2.136 2.759 0.059 7 0 "[ . 1]" 1
183 1 7 LYS H 1 7 LYS QD 1.800 . 6.000 4.219 3.801 4.607 . 0 0 "[ . 1]" 1
184 1 7 LYS H 1 7 LYS QE 1.800 . 6.000 5.180 4.355 5.923 . 0 0 "[ . 1]" 1
185 1 7 LYS H 1 7 LYS QG 1.800 . 4.500 3.863 3.773 3.968 . 0 0 "[ . 1]" 1
186 1 7 LYS H 1 11 LEU MD1 1.800 . 6.500 6.221 5.897 6.554 0.054 9 0 "[ . 1]" 1
187 1 7 LYS H 1 11 LEU MD2 1.800 . 6.500 6.537 6.511 6.564 0.064 6 0 "[ . 1]" 1
188 1 7 LYS HA 1 7 LYS HB2 1.800 . 2.700 2.528 2.314 2.610 . 0 0 "[ . 1]" 1
189 1 7 LYS HA 1 7 LYS HB3 1.800 . 2.700 2.982 2.966 2.998 0.298 8 0 "[ . 1]" 1
190 1 7 LYS HA 1 7 LYS QD 1.800 . 4.500 3.587 2.520 4.291 . 0 0 "[ . 1]" 1
191 1 7 LYS HA 1 7 LYS QE 1.800 . 6.000 4.365 3.568 5.009 . 0 0 "[ . 1]" 1
192 1 7 LYS HA 1 7 LYS QG 1.800 . 3.200 2.295 2.115 2.662 . 0 0 "[ . 1]" 1
193 1 7 LYS HA 1 8 ALA H 1.800 . 4.000 3.516 3.508 3.525 . 0 0 "[ . 1]" 1
194 1 7 LYS HA 1 11 LEU H 1.800 . 5.500 4.647 4.451 4.802 . 0 0 "[ . 1]" 1
195 1 7 LYS HB2 1 7 LYS QD 1.800 . 4.500 2.519 2.026 3.495 . 0 0 "[ . 1]" 1
196 1 7 LYS HB2 1 7 LYS QE 1.800 . 6.000 3.351 1.927 4.072 . 0 0 "[ . 1]" 1
197 1 7 LYS HB3 1 7 LYS QD 1.800 . 4.500 2.611 1.991 3.245 . 0 0 "[ . 1]" 1
198 1 7 LYS HB3 1 7 LYS QE 1.800 . 6.000 3.428 1.951 4.317 . 0 0 "[ . 1]" 1
199 1 7 LYS QD 1 7 LYS QE 1.800 . 3.700 2.083 2.045 2.113 . 0 0 "[ . 1]" 1
200 1 7 LYS QD 1 7 LYS QG 1.800 . 3.700 2.066 2.028 2.106 . 0 0 "[ . 1]" 1
201 1 7 LYS QE 1 7 LYS QG 1.800 . 5.000 2.183 2.025 2.315 . 0 0 "[ . 1]" 1
202 1 8 ALA H 1 8 ALA HA 1.800 . 2.700 2.876 2.831 2.898 0.198 2 0 "[ . 1]" 1
203 1 8 ALA H 1 8 ALA MB 1.800 . 3.700 2.060 1.989 2.146 . 0 0 "[ . 1]" 1
204 1 8 ALA H 1 12 ILE HG13 1.800 . 5.500 5.594 5.564 5.630 0.130 1 0 "[ . 1]" 1
205 1 8 ALA HA 1 9 LYS H 1.800 . 4.000 3.492 3.479 3.505 . 0 0 "[ . 1]" 1
206 1 8 ALA HA 1 10 LYS H 1.800 . 5.500 4.607 4.541 4.676 . 0 0 "[ . 1]" 1
207 1 8 ALA HA 1 11 LEU H 1.800 . 4.000 4.074 4.050 4.098 0.098 3 0 "[ . 1]" 1
208 1 8 ALA HA 1 12 ILE H 1.800 . 4.000 4.065 4.044 4.094 0.094 6 0 "[ . 1]" 1
209 1 9 LYS H 1 9 LYS HA 1.800 . 2.700 2.665 2.657 2.672 . 0 0 "[ . 1]" 1
210 1 9 LYS H 1 9 LYS HB2 1.800 . 2.700 2.138 2.050 2.627 . 0 0 "[ . 1]" 1
211 1 9 LYS H 1 9 LYS HB3 1.800 . 4.000 3.448 3.403 3.550 . 0 0 "[ . 1]" 1
212 1 9 LYS H 1 9 LYS QD 1.800 . 3.200 2.808 2.349 3.211 0.011 2 0 "[ . 1]" 1
213 1 9 LYS H 1 9 LYS QE 1.800 . 6.000 3.983 2.561 5.132 . 0 0 "[ . 1]" 1
214 1 9 LYS H 1 9 LYS QG 1.800 . 3.200 2.985 1.800 3.171 . 0 0 "[ . 1]" 1
215 1 9 LYS H 1 12 ILE HG13 1.800 . 5.500 3.351 3.270 3.503 . 0 0 "[ . 1]" 1
216 1 9 LYS H 1 13 GLU HA 1.800 . 4.000 4.258 4.221 4.289 0.289 10 0 "[ . 1]" 1
217 1 9 LYS HA 1 9 LYS QD 1.800 . 6.000 3.422 2.029 3.809 . 0 0 "[ . 1]" 1
218 1 9 LYS HA 1 9 LYS QE 1.800 . 6.000 4.036 3.081 4.590 . 0 0 "[ . 1]" 1
219 1 9 LYS HA 1 9 LYS QG 1.800 . 4.500 2.055 1.926 2.954 . 0 0 "[ . 1]" 1
220 1 9 LYS HA 1 10 LYS H 1.800 . 4.000 3.594 3.584 3.603 . 0 0 "[ . 1]" 1
221 1 9 LYS HA 1 12 ILE H 1.800 . 4.000 3.197 3.128 3.265 . 0 0 "[ . 1]" 1
222 1 9 LYS HA 1 12 ILE HB 1.800 . 5.500 4.739 4.627 4.816 . 0 0 "[ . 1]" 1
223 1 9 LYS HA 1 12 ILE MD 1.800 . 6.500 3.936 3.775 4.298 . 0 0 "[ . 1]" 1
224 1 9 LYS HA 1 12 ILE HG13 1.800 . 4.000 2.442 2.294 2.768 . 0 0 "[ . 1]" 1
225 1 9 LYS HA 1 12 ILE MG 1.800 . 6.500 4.742 4.650 4.936 . 0 0 "[ . 1]" 1
226 1 9 LYS HA 1 13 GLU QB 1.800 . 6.000 3.768 3.729 3.824 . 0 0 "[ . 1]" 1
227 1 9 LYS HA 1 13 GLU HG2 1.800 . 5.500 2.395 2.291 2.495 . 0 0 "[ . 1]" 1
228 1 9 LYS HA 1 13 GLU HG3 1.800 . 5.500 3.677 3.611 3.770 . 0 0 "[ . 1]" 1
229 1 9 LYS HB2 1 9 LYS QD 1.800 . 4.500 2.172 1.900 3.303 . 0 0 "[ . 1]" 1
230 1 9 LYS HB2 1 9 LYS QE 1.800 . 6.000 3.259 2.126 4.221 . 0 0 "[ . 1]" 1
231 1 9 LYS HB2 1 13 GLU HG2 1.800 . 5.500 3.324 3.162 3.369 . 0 0 "[ . 1]" 1
232 1 9 LYS HB3 1 9 LYS QD 1.800 . 4.500 3.016 2.353 3.379 . 0 0 "[ . 1]" 1
233 1 9 LYS HB3 1 9 LYS QE 1.800 . 6.000 3.523 2.157 4.466 . 0 0 "[ . 1]" 1
234 1 9 LYS HB3 1 13 GLU HG2 1.800 . 5.500 1.875 1.787 2.003 0.013 10 0 "[ . 1]" 1
235 1 9 LYS QD 1 9 LYS QE 1.800 . 5.000 2.075 2.039 2.111 . 0 0 "[ . 1]" 1
236 1 9 LYS QD 1 9 LYS QG 1.800 . 3.700 2.061 2.025 2.101 . 0 0 "[ . 1]" 1
237 1 9 LYS QD 1 13 GLU HG2 1.800 . 6.000 3.971 2.893 4.233 . 0 0 "[ . 1]" 1
238 1 9 LYS QE 1 9 LYS QG 1.800 . 5.000 2.190 1.959 2.616 . 0 0 "[ . 1]" 1
239 1 9 LYS QG 1 13 GLU HG2 1.800 . 6.000 2.424 2.031 3.812 . 0 0 "[ . 1]" 1
240 1 10 LYS H 1 10 LYS HA 1.800 . 2.700 2.722 2.712 2.730 0.030 6 0 "[ . 1]" 1
241 1 10 LYS H 1 10 LYS QD 1.800 . 6.000 4.050 3.638 4.349 . 0 0 "[ . 1]" 1
242 1 10 LYS H 1 10 LYS QE 1.800 . 6.000 5.076 3.701 5.849 . 0 0 "[ . 1]" 1
243 1 10 LYS H 1 10 LYS QG 1.800 . 4.500 3.505 2.381 4.021 . 0 0 "[ . 1]" 1
244 1 10 LYS H 1 12 ILE HG13 1.800 . 5.500 4.923 4.776 5.117 . 0 0 "[ . 1]" 1
245 1 10 LYS HA 1 10 LYS QD 1.800 . 4.500 3.277 2.003 4.010 . 0 0 "[ . 1]" 1
246 1 10 LYS HA 1 10 LYS QE 1.800 . 6.000 3.843 1.805 4.657 . 0 0 "[ . 1]" 1
247 1 10 LYS HA 1 10 LYS QG 1.800 . 4.500 2.283 2.043 2.560 . 0 0 "[ . 1]" 1
248 1 10 LYS HA 1 11 LEU H 1.800 . 4.000 3.598 3.593 3.604 . 0 0 "[ . 1]" 1
249 1 10 LYS HA 1 13 GLU QB 1.800 . 6.000 4.996 4.898 5.209 . 0 0 "[ . 1]" 1
250 1 10 LYS HA 1 13 GLU HG2 1.800 . 5.500 4.010 3.879 4.109 . 0 0 "[ . 1]" 1
251 1 10 LYS HA 1 13 GLU HG3 1.800 . 5.500 3.246 3.134 3.462 . 0 0 "[ . 1]" 1
252 1 10 LYS QB 1 10 LYS QD 1.800 . 3.700 2.140 1.893 2.280 . 0 0 "[ . 1]" 1
253 1 10 LYS QB 1 10 LYS QE 1.800 . 6.500 2.994 1.966 3.683 . 0 0 "[ . 1]" 1
254 1 10 LYS QB 1 10 LYS QG 1.800 . 3.700 2.074 2.044 2.105 . 0 0 "[ . 1]" 1
255 1 10 LYS QD 1 10 LYS QE 1.800 . 3.700 2.086 2.065 2.107 . 0 0 "[ . 1]" 1
256 1 10 LYS QD 1 10 LYS QG 1.800 . 3.700 2.070 2.040 2.106 . 0 0 "[ . 1]" 1
257 1 10 LYS QE 1 10 LYS QG 1.800 . 6.500 2.112 1.978 2.329 . 0 0 "[ . 1]" 1
258 1 10 LYS QE 1 11 LEU MD1 1.800 . 6.500 3.437 1.841 6.078 . 0 0 "[ . 1]" 1
259 1 10 LYS QE 1 11 LEU MD2 1.800 . 6.500 4.184 2.626 5.599 . 0 0 "[ . 1]" 1
260 1 11 LEU H 1 11 LEU HA 1.800 . 2.700 2.940 2.933 2.946 0.246 7 0 "[ . 1]" 1
261 1 11 LEU H 1 11 LEU QB 1.800 . 4.500 2.231 2.110 2.664 . 0 0 "[ . 1]" 1
262 1 11 LEU H 1 11 LEU MD1 1.800 . 6.500 2.452 2.066 3.625 . 0 0 "[ . 1]" 1
263 1 11 LEU H 1 11 LEU MD2 1.800 . 6.500 3.319 2.598 3.625 . 0 0 "[ . 1]" 1
264 1 11 LEU H 1 11 LEU HG 1.800 . 4.000 3.650 1.904 4.109 0.109 8 0 "[ . 1]" 1
265 1 11 LEU H 1 12 ILE H 1.800 . 2.700 2.234 2.212 2.258 . 0 0 "[ . 1]" 1
266 1 11 LEU HA 1 11 LEU MD1 1.800 . 3.700 2.414 1.917 3.807 0.107 7 0 "[ . 1]" 1
267 1 11 LEU HA 1 11 LEU MD2 1.800 . 3.700 3.407 1.895 3.786 0.086 6 0 "[ . 1]" 1
268 1 11 LEU HA 1 11 LEU HG 1.800 . 4.000 2.772 2.525 3.490 . 0 0 "[ . 1]" 1
269 1 11 LEU HA 1 12 ILE H 1.800 . 4.000 3.450 3.429 3.480 . 0 0 "[ . 1]" 1
270 1 11 LEU QB 1 11 LEU MD1 1.800 . 5.500 2.363 2.020 2.509 . 0 0 "[ . 1]" 1
271 1 11 LEU QB 1 11 LEU MD2 1.800 . 5.500 2.144 2.045 2.435 . 0 0 "[ . 1]" 1
272 1 11 LEU QB 1 12 ILE H 1.800 . 6.000 2.968 2.916 3.059 . 0 0 "[ . 1]" 1
273 1 11 LEU MD1 1 11 LEU MD2 1.800 . 4.700 2.024 1.842 2.068 . 0 0 "[ . 1]" 1
274 1 11 LEU HG 1 12 ILE H 1.800 . 5.500 4.990 3.812 5.323 . 0 0 "[ . 1]" 1
275 1 12 ILE H 1 12 ILE HA 1.800 . 2.700 2.950 2.946 2.953 0.253 8 0 "[ . 1]" 1
276 1 12 ILE H 1 12 ILE HB 1.800 . 4.000 3.733 3.710 3.743 . 0 0 "[ . 1]" 1
277 1 12 ILE H 1 12 ILE MD 1.800 . 5.000 3.864 3.712 3.905 . 0 0 "[ . 1]" 1
278 1 12 ILE H 1 12 ILE HG12 1.800 . 4.000 2.321 2.028 2.415 . 0 0 "[ . 1]" 1
279 1 12 ILE H 1 12 ILE HG13 1.800 . 2.700 2.704 2.670 2.750 0.050 3 0 "[ . 1]" 1
280 1 12 ILE H 1 12 ILE MG 1.800 . 5.000 2.505 2.428 2.623 . 0 0 "[ . 1]" 1
281 1 12 ILE H 1 13 GLU H 1.800 . 2.700 2.768 2.742 2.830 0.130 3 0 "[ . 1]" 1
282 1 12 ILE H 1 13 GLU QB 1.800 . 6.000 4.587 4.538 4.677 . 0 0 "[ . 1]" 1
283 1 12 ILE H 1 13 GLU HG2 1.800 . 5.500 4.390 4.370 4.407 . 0 0 "[ . 1]" 1
284 1 12 ILE H 1 13 GLU HG3 1.800 . 5.500 4.420 4.365 4.464 . 0 0 "[ . 1]" 1
285 1 12 ILE HA 1 12 ILE HB 1.800 . 2.700 2.415 2.406 2.453 . 0 0 "[ . 1]" 1
286 1 12 ILE HA 1 12 ILE MD 1.800 . 3.700 3.980 3.954 4.031 0.331 3 0 "[ . 1]" 1
287 1 12 ILE HA 1 12 ILE HG12 1.800 . 4.000 3.860 3.717 3.905 . 0 0 "[ . 1]" 1
288 1 12 ILE HA 1 12 ILE HG13 1.800 . 4.000 3.556 3.533 3.636 . 0 0 "[ . 1]" 1
289 1 12 ILE HA 1 12 ILE MG 1.800 . 3.700 2.387 2.315 2.439 . 0 0 "[ . 1]" 1
290 1 12 ILE HA 1 13 GLU H 1.800 . 2.700 2.810 2.778 2.830 0.130 7 0 "[ . 1]" 1
291 1 12 ILE HB 1 12 ILE MD 1.800 . 5.000 2.015 1.948 2.188 . 0 0 "[ . 1]" 1
292 1 12 ILE HG12 1 12 ILE MG 1.800 . 3.700 2.151 1.974 2.315 . 0 0 "[ . 1]" 1
293 1 12 ILE HG12 1 13 GLU HG2 1.800 . 5.500 5.692 5.616 5.728 0.228 9 0 "[ . 1]" 1
294 1 12 ILE HG13 1 12 ILE MG 1.800 . 5.000 3.137 3.103 3.181 . 0 0 "[ . 1]" 1
295 1 12 ILE HG13 1 13 GLU HA 1.800 . 5.500 3.654 3.575 3.882 . 0 0 "[ . 1]" 1
296 1 12 ILE HG13 1 13 GLU HG2 1.800 . 5.500 4.701 4.596 4.919 . 0 0 "[ . 1]" 1
297 1 12 ILE MG 1 13 GLU HG2 1.800 . 6.000 6.131 6.110 6.195 0.195 3 0 "[ . 1]" 1
298 1 13 GLU H 1 13 GLU HA 1.800 . 2.700 2.785 2.776 2.788 0.088 7 0 "[ . 1]" 1
299 1 13 GLU H 1 13 GLU HG2 1.800 . 4.000 3.133 3.066 3.173 . 0 0 "[ . 1]" 1
300 1 13 GLU H 1 13 GLU HG3 1.800 . 4.000 2.833 2.715 2.900 . 0 0 "[ . 1]" 1
301 1 13 GLU HA 1 13 GLU HG2 1.800 . 2.700 1.846 1.834 1.864 . 0 0 "[ . 1]" 1
302 1 13 GLU HA 1 13 GLU HG3 1.800 . 2.700 3.126 3.119 3.144 0.444 3 0 "[ . 1]" 1
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