NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378385 |
1h95   |
4147 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1h95
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 332
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 142.737
_Distance_constraint_stats_list.Viol_max 0.286
_Distance_constraint_stats_list.Viol_rms 0.0243
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0978
_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 LYS 0.000 0.000 . 0 "[ . 1]"
1 3 LYS 0.000 0.000 . 0 "[ . 1]"
1 4 VAL 0.000 0.000 . 0 "[ . 1]"
1 5 ILE 0.839 0.122 9 0 "[ . 1]"
1 6 ALA 0.794 0.122 9 0 "[ . 1]"
1 7 THR 0.091 0.055 6 0 "[ . 1]"
1 8 LYS 0.092 0.092 8 0 "[ . 1]"
1 9 VAL 0.123 0.055 6 0 "[ . 1]"
1 10 LEU 0.032 0.029 4 0 "[ . 1]"
1 11 GLY 0.000 0.000 . 0 "[ . 1]"
1 12 THR 0.620 0.100 9 0 "[ . 1]"
1 13 VAL 0.134 0.073 10 0 "[ . 1]"
1 15 TRP 0.186 0.186 8 0 "[ . 1]"
1 16 PHE 0.186 0.186 8 0 "[ . 1]"
1 17 ASN 0.000 0.000 . 0 "[ . 1]"
1 18 VAL 1.663 0.220 7 0 "[ . 1]"
1 19 ARG 0.544 0.220 7 0 "[ . 1]"
1 20 ASN 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 1.119 0.185 8 0 "[ . 1]"
1 22 TYR 0.112 0.112 6 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 PHE 0.000 0.000 . 0 "[ . 1]"
1 25 ILE 2.375 0.286 2 0 "[ . 1]"
1 26 ASN 1.113 0.179 5 0 "[ . 1]"
1 27 ARG 1.838 0.286 2 0 "[ . 1]"
1 28 ASN 0.435 0.100 9 0 "[ . 1]"
1 29 ASP 0.076 0.062 4 0 "[ . 1]"
1 30 THR 0.076 0.062 4 0 "[ . 1]"
1 31 LYS 0.000 0.000 . 0 "[ . 1]"
1 32 GLU 0.080 0.080 5 0 "[ . 1]"
1 33 ASP 0.929 0.179 5 0 "[ . 1]"
1 34 VAL 0.012 0.012 9 0 "[ . 1]"
1 35 PHE 0.000 0.000 . 0 "[ . 1]"
1 36 VAL 0.600 0.160 2 0 "[ . 1]"
1 37 HIS 0.154 0.112 6 0 "[ . 1]"
1 38 GLN 0.000 0.000 . 0 "[ . 1]"
1 39 THR 0.000 0.000 . 0 "[ . 1]"
1 40 ALA 0.421 0.080 1 0 "[ . 1]"
1 41 ILE 0.421 0.080 1 0 "[ . 1]"
1 42 LYS 0.076 0.065 7 0 "[ . 1]"
1 45 ASN 0.000 0.000 . 0 "[ . 1]"
1 46 PRO 0.000 0.000 . 0 "[ . 1]"
1 49 TYR 0.122 0.122 4 0 "[ . 1]"
1 50 LEU 0.122 0.122 4 0 "[ . 1]"
1 53 VAL 0.000 0.000 . 0 "[ . 1]"
1 54 GLY 0.000 0.000 . 0 "[ . 1]"
1 55 ASP 0.219 0.219 9 0 "[ . 1]"
1 56 GLY 0.219 0.219 9 0 "[ . 1]"
1 57 GLU 0.134 0.073 10 0 "[ . 1]"
1 58 THR 1.919 0.270 9 0 "[ . 1]"
1 59 VAL 0.636 0.260 1 0 "[ . 1]"
1 60 GLU 0.714 0.282 3 0 "[ . 1]"
1 61 PHE 0.091 0.055 6 0 "[ . 1]"
1 62 ASP 0.050 0.050 7 0 "[ . 1]"
1 63 VAL 0.175 0.055 6 0 "[ . 1]"
1 64 VAL 0.993 0.144 7 0 "[ . 1]"
1 65 GLU 0.459 0.219 7 0 "[ . 1]"
1 66 GLY 1.206 0.280 5 0 "[ . 1]"
1 67 GLU 0.000 0.000 . 0 "[ . 1]"
1 68 LYS 0.000 0.000 . 0 "[ . 1]"
1 69 GLY 0.127 0.065 2 0 "[ . 1]"
1 70 ALA 1.226 0.280 5 0 "[ . 1]"
1 71 GLU 0.000 0.000 . 0 "[ . 1]"
1 72 ALA 0.641 0.160 2 0 "[ . 1]"
1 73 ALA 0.000 0.000 . 0 "[ . 1]"
1 74 ASN 0.050 0.050 7 0 "[ . 1]"
1 75 VAL 0.789 0.282 3 0 "[ . 1]"
1 76 THR 0.665 0.204 6 0 "[ . 1]"
1 77 GLY 0.665 0.204 6 0 "[ . 1]"
1 78 PRO 0.000 0.000 . 0 "[ . 1]"
1 79 GLY 0.000 0.000 . 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 2 LYS HA 1 3 LYS H 0.000 . 6.800 3.156 2.316 3.634 . 0 0 "[ . 1]" 1
2 1 3 LYS H 1 65 GLU QB 0.000 . 7.300 5.562 4.730 6.620 . 0 0 "[ . 1]" 1
3 1 3 LYS HA 1 4 VAL H 0.000 . 6.800 2.988 2.014 3.622 . 0 0 "[ . 1]" 1
4 1 3 LYS QB 1 4 VAL H 0.000 . 7.300 2.673 1.852 3.924 . 0 0 "[ . 1]" 1
5 1 3 LYS QD 1 4 VAL H 0.000 . 7.300 4.702 3.445 5.739 . 0 0 "[ . 1]" 1
6 1 4 VAL HA 1 5 ILE H 0.000 . 7.300 2.519 2.222 3.736 . 0 0 "[ . 1]" 1
7 1 4 VAL HA 1 64 VAL HA 0.000 . 7.300 3.008 1.989 4.880 . 0 0 "[ . 1]" 1
8 1 4 VAL HA 1 64 VAL QG 0.000 . 7.300 3.814 2.597 4.515 . 0 0 "[ . 1]" 1
9 1 4 VAL HA 1 65 GLU H 0.000 . 7.300 2.752 1.789 5.447 . 0 0 "[ . 1]" 1
10 1 4 VAL QG 1 65 GLU H 0.000 . 6.800 2.062 1.553 2.595 . 0 0 "[ . 1]" 1
11 1 4 VAL QG 1 66 GLY H 0.000 . 6.800 4.533 3.270 5.194 . 0 0 "[ . 1]" 1
12 1 5 ILE H 1 5 ILE HB 0.000 . 3.300 2.508 2.379 2.640 . 0 0 "[ . 1]" 1
13 1 5 ILE H 1 6 ALA H 0.000 . 4.000 2.476 2.042 2.844 . 0 0 "[ . 1]" 1
14 1 5 ILE H 1 63 VAL HB 0.000 . 3.500 3.384 3.151 3.550 0.050 4 0 "[ . 1]" 1
15 1 5 ILE H 1 63 VAL QG 0.000 . 4.500 3.075 2.805 3.331 . 0 0 "[ . 1]" 1
16 1 5 ILE HA 1 6 ALA H 0.000 . 3.500 3.577 3.544 3.622 0.122 9 0 "[ . 1]" 1
17 1 5 ILE HA 1 64 VAL HA 0.000 . 7.300 6.083 5.718 6.425 . 0 0 "[ . 1]" 1
18 1 5 ILE HB 1 6 ALA H 0.000 . 3.300 2.412 2.125 2.687 . 0 0 "[ . 1]" 1
19 1 5 ILE HB 1 63 VAL HB 0.000 . 5.000 2.396 2.059 2.629 . 0 0 "[ . 1]" 1
20 1 5 ILE HB 1 63 VAL QG 0.000 . 7.300 2.540 2.068 3.032 . 0 0 "[ . 1]" 1
21 1 5 ILE MD 1 6 ALA H 0.000 . 4.500 3.668 3.563 3.737 . 0 0 "[ . 1]" 1
22 1 5 ILE MD 1 64 VAL HA 0.000 . 7.300 4.027 3.358 4.550 . 0 0 "[ . 1]" 1
23 1 5 ILE MD 1 65 GLU HA 0.000 . 7.300 5.012 4.051 5.949 . 0 0 "[ . 1]" 1
24 1 5 ILE MD 1 65 GLU QB 0.000 . 7.300 3.610 2.228 4.792 . 0 0 "[ . 1]" 1
25 1 5 ILE MD 1 70 ALA HA 0.000 . 7.300 4.439 2.790 5.545 . 0 0 "[ . 1]" 1
26 1 5 ILE QG 1 6 ALA H 0.000 . 5.000 4.310 4.179 4.386 . 0 0 "[ . 1]" 1
27 1 5 ILE QG 1 6 ALA H 0.000 . 5.000 3.221 3.041 3.449 . 0 0 "[ . 1]" 1
28 1 5 ILE QG 1 64 VAL HA 0.000 . 7.300 5.908 5.362 6.112 . 0 0 "[ . 1]" 1
29 1 5 ILE QG 1 71 GLU H 0.000 . 4.500 2.547 2.196 3.059 . 0 0 "[ . 1]" 1
30 1 5 ILE MG 1 6 ALA H 0.000 . 6.800 2.927 2.728 3.226 . 0 0 "[ . 1]" 1
31 1 5 ILE MG 1 6 ALA MB 0.000 . 7.300 2.387 2.020 2.881 . 0 0 "[ . 1]" 1
32 1 5 ILE MG 1 63 VAL HB 0.000 . 7.300 3.741 3.315 4.098 . 0 0 "[ . 1]" 1
33 1 5 ILE MG 1 65 GLU H 0.000 . 6.800 4.190 3.340 4.850 . 0 0 "[ . 1]" 1
34 1 6 ALA H 1 63 VAL H 0.000 . 3.300 3.129 2.933 3.313 0.013 5 0 "[ . 1]" 1
35 1 6 ALA H 1 63 VAL HB 0.000 . 3.300 2.345 2.098 2.655 . 0 0 "[ . 1]" 1
36 1 6 ALA HA 1 7 THR H 0.000 . 3.300 2.261 2.177 2.340 . 0 0 "[ . 1]" 1
37 1 6 ALA MB 1 7 THR H 0.000 . 4.000 2.585 2.351 2.816 . 0 0 "[ . 1]" 1
38 1 6 ALA MB 1 9 VAL QG 0.000 . 7.300 1.933 1.839 2.049 . 0 0 "[ . 1]" 1
39 1 6 ALA MB 1 63 VAL H 0.000 . 4.500 3.683 3.626 3.743 . 0 0 "[ . 1]" 1
40 1 6 ALA MB 1 63 VAL HB 0.000 . 5.000 3.303 2.966 3.617 . 0 0 "[ . 1]" 1
41 1 6 ALA MB 1 63 VAL QG 0.000 . 7.300 3.315 2.921 3.605 . 0 0 "[ . 1]" 1
42 1 7 THR H 1 7 THR HB 0.000 . 4.000 3.672 3.554 3.752 . 0 0 "[ . 1]" 1
43 1 7 THR H 1 7 THR MG 0.000 . 4.000 2.627 2.439 2.944 . 0 0 "[ . 1]" 1
44 1 7 THR H 1 9 VAL QG 0.000 . 6.800 3.608 3.404 3.737 . 0 0 "[ . 1]" 1
45 1 7 THR H 1 64 VAL QG 0.000 . 6.800 4.827 4.656 4.945 . 0 0 "[ . 1]" 1
46 1 7 THR HA 1 8 LYS H 0.000 . 3.300 2.287 2.217 2.525 . 0 0 "[ . 1]" 1
47 1 7 THR HA 1 62 ASP HA 0.000 . 5.000 2.272 2.124 2.507 . 0 0 "[ . 1]" 1
48 1 7 THR HB 1 8 LYS H 0.000 . 3.300 2.614 2.467 3.109 . 0 0 "[ . 1]" 1
49 1 7 THR MG 1 61 PHE H 0.000 . 3.500 3.453 3.311 3.555 0.055 6 0 "[ . 1]" 1
50 1 8 LYS H 1 8 LYS QG 0.000 . 4.000 2.934 2.532 4.092 0.092 8 0 "[ . 1]" 1
51 1 8 LYS H 1 62 ASP HA 0.000 . 3.300 2.816 2.580 3.040 . 0 0 "[ . 1]" 1
52 1 8 LYS HA 1 9 VAL H 0.000 . 3.300 2.291 2.129 2.623 . 0 0 "[ . 1]" 1
53 1 8 LYS HA 1 60 GLU QG 0.000 . 5.500 4.757 4.702 4.848 . 0 0 "[ . 1]" 1
54 1 8 LYS HA 1 61 PHE H 0.000 . 4.000 3.824 3.576 3.996 . 0 0 "[ . 1]" 1
55 1 9 VAL H 1 9 VAL HB 0.000 . 3.300 2.474 2.312 2.573 . 0 0 "[ . 1]" 1
56 1 9 VAL H 1 10 LEU H 0.000 . 4.500 4.443 4.369 4.504 0.004 1 0 "[ . 1]" 1
57 1 9 VAL H 1 60 GLU QB 0.000 . 4.500 3.562 3.502 3.602 . 0 0 "[ . 1]" 1
58 1 9 VAL H 1 62 ASP HA 0.000 . 4.000 3.336 3.159 3.486 . 0 0 "[ . 1]" 1
59 1 9 VAL HA 1 10 LEU H 0.000 . 3.300 2.320 2.237 2.433 . 0 0 "[ . 1]" 1
60 1 9 VAL HB 1 10 LEU H 0.000 . 4.000 3.892 3.720 4.029 0.029 4 0 "[ . 1]" 1
61 1 9 VAL QG 1 10 LEU H 0.000 . 5.500 2.302 2.169 2.410 . 0 0 "[ . 1]" 1
62 1 9 VAL QG 1 28 ASN H 0.000 . 6.800 4.113 3.479 4.450 . 0 0 "[ . 1]" 1
63 1 9 VAL QG 1 61 PHE QE 0.000 . 7.300 2.876 2.464 3.331 . 0 0 "[ . 1]" 1
64 1 9 VAL QG 1 61 PHE HZ 0.000 . 7.300 3.331 2.756 3.793 . 0 0 "[ . 1]" 1
65 1 9 VAL QG 1 62 ASP H 0.000 . 6.800 4.769 4.524 4.973 . 0 0 "[ . 1]" 1
66 1 9 VAL QG 1 62 ASP QB 0.000 . 7.300 4.141 3.934 4.333 . 0 0 "[ . 1]" 1
67 1 9 VAL QG 1 63 VAL QG 0.000 . 7.300 1.887 1.795 1.974 . 0 0 "[ . 1]" 1
68 1 10 LEU HA 1 11 GLY H 0.000 . 3.300 2.309 2.197 2.441 . 0 0 "[ . 1]" 1
69 1 10 LEU HA 1 60 GLU HA 0.000 . 5.000 2.774 2.189 3.413 . 0 0 "[ . 1]" 1
70 1 10 LEU QB 1 11 GLY H 0.000 . 4.500 2.541 2.133 2.869 . 0 0 "[ . 1]" 1
71 1 10 LEU QB 1 28 ASN H 0.000 . 6.800 5.269 4.282 6.107 . 0 0 "[ . 1]" 1
72 1 10 LEU QB 1 28 ASN QD 0.000 . 6.800 3.237 2.565 3.905 . 0 0 "[ . 1]" 1
73 1 10 LEU QD 1 11 GLY H 0.000 . 7.300 3.157 2.687 3.622 . 0 0 "[ . 1]" 1
74 1 10 LEU QD 1 28 ASN QD 0.000 . 7.300 4.474 3.601 4.872 . 0 0 "[ . 1]" 1
75 1 10 LEU QD 1 60 GLU HA 0.000 . 7.300 2.636 2.401 3.033 . 0 0 "[ . 1]" 1
76 1 10 LEU QD 1 61 PHE H 0.000 . 5.000 3.746 3.334 4.046 . 0 0 "[ . 1]" 1
77 1 11 GLY H 1 58 THR HG1 0.000 . 5.000 3.055 2.327 3.724 . 0 0 "[ . 1]" 1
78 1 11 GLY H 1 59 VAL H 0.000 . 5.000 2.980 2.695 3.746 . 0 0 "[ . 1]" 1
79 1 11 GLY H 1 59 VAL QG 0.000 . 7.300 3.886 3.364 4.861 . 0 0 "[ . 1]" 1
80 1 11 GLY QA 1 12 THR H 0.000 . 4.000 2.288 2.253 2.328 . 0 0 "[ . 1]" 1
81 1 11 GLY QA 1 27 ARG HA 0.000 . 5.000 2.483 2.010 3.439 . 0 0 "[ . 1]" 1
82 1 11 GLY QA 1 28 ASN H 0.000 . 7.300 2.838 2.493 3.357 . 0 0 "[ . 1]" 1
83 1 11 GLY QA 1 61 PHE QE 0.000 . 5.000 2.884 2.561 3.570 . 0 0 "[ . 1]" 1
84 1 12 THR H 1 12 THR HB 0.000 . 3.300 2.534 2.406 2.821 . 0 0 "[ . 1]" 1
85 1 12 THR H 1 25 ILE MG 0.000 . 4.000 2.758 2.548 3.022 . 0 0 "[ . 1]" 1
86 1 12 THR H 1 26 ASN H 0.000 . 3.300 3.256 3.055 3.379 0.079 9 0 "[ . 1]" 1
87 1 12 THR H 1 26 ASN QB 0.000 . 5.000 3.257 2.757 3.785 . 0 0 "[ . 1]" 1
88 1 12 THR H 1 28 ASN H 0.000 . 4.500 4.474 4.089 4.600 0.100 9 0 "[ . 1]" 1
89 1 12 THR HA 1 13 VAL H 0.000 . 7.300 2.185 2.083 2.233 . 0 0 "[ . 1]" 1
90 1 12 THR MG 1 13 VAL H 0.000 . 4.500 2.612 2.482 2.784 . 0 0 "[ . 1]" 1
91 1 12 THR MG 1 56 GLY H 0.000 . 4.500 3.610 2.507 3.890 . 0 0 "[ . 1]" 1
92 1 12 THR MG 1 56 GLY QA 0.000 . 7.300 2.142 2.041 2.314 . 0 0 "[ . 1]" 1
93 1 13 VAL H 1 13 VAL HB 0.000 . 3.300 2.494 2.411 2.863 . 0 0 "[ . 1]" 1
94 1 13 VAL H 1 57 GLU H 0.000 . 4.000 3.924 3.730 4.073 0.073 10 0 "[ . 1]" 1
95 1 13 VAL H 1 58 THR HA 0.000 . 7.300 3.784 3.473 4.360 . 0 0 "[ . 1]" 1
96 1 13 VAL HA 1 25 ILE HA 0.000 . 4.000 2.907 2.319 3.295 . 0 0 "[ . 1]" 1
97 1 13 VAL QG 1 25 ILE HA 0.000 . 7.300 3.278 2.627 3.803 . 0 0 "[ . 1]" 1
98 1 13 VAL QG 1 25 ILE QG 0.000 . 7.300 3.351 2.251 4.046 . 0 0 "[ . 1]" 1
99 1 13 VAL QG 1 56 GLY H 0.000 . 7.300 4.643 3.650 5.272 . 0 0 "[ . 1]" 1
100 1 13 VAL QG 1 57 GLU H 0.000 . 7.300 3.941 2.351 4.466 . 0 0 "[ . 1]" 1
101 1 15 TRP HA 1 16 PHE H 0.000 . 3.300 2.437 2.141 3.486 0.186 8 0 "[ . 1]" 1
102 1 15 TRP QB 1 16 PHE H 0.000 . 5.000 3.225 1.998 4.115 . 0 0 "[ . 1]" 1
103 1 16 PHE HA 1 23 GLY QA 0.000 . 4.000 2.746 2.242 3.610 . 0 0 "[ . 1]" 1
104 1 17 ASN QB 1 21 GLY H 0.000 . 4.500 3.689 3.436 3.802 . 0 0 "[ . 1]" 1
105 1 17 ASN QD 1 21 GLY H 0.000 . 3.300 2.948 2.683 3.148 . 0 0 "[ . 1]" 1
106 1 18 VAL HA 1 21 GLY H 0.000 . 3.300 3.412 3.348 3.485 0.185 8 0 "[ . 1]" 1
107 1 18 VAL HB 1 19 ARG H 0.000 . 3.500 3.109 2.588 3.720 0.220 7 0 "[ . 1]" 1
108 1 18 VAL QG 1 19 ARG H 0.000 . 7.300 3.075 2.229 3.552 . 0 0 "[ . 1]" 1
109 1 19 ARG H 1 19 ARG QB 0.000 . 3.300 2.236 1.961 2.430 . 0 0 "[ . 1]" 1
110 1 19 ARG H 1 19 ARG QG 0.000 . 5.000 3.296 2.258 4.011 . 0 0 "[ . 1]" 1
111 1 19 ARG H 1 20 ASN H 0.000 . 7.300 2.990 2.787 3.145 . 0 0 "[ . 1]" 1
112 1 20 ASN H 1 21 GLY H 0.000 . 3.300 2.391 2.037 2.901 . 0 0 "[ . 1]" 1
113 1 20 ASN QB 1 21 GLY H 0.000 . 4.500 2.802 2.572 3.107 . 0 0 "[ . 1]" 1
114 1 20 ASN QB 1 22 TYR QD 0.000 . 7.300 3.327 2.307 4.168 . 0 0 "[ . 1]" 1
115 1 20 ASN QB 1 22 TYR QE 0.000 . 7.300 4.238 2.357 5.881 . 0 0 "[ . 1]" 1
116 1 22 TYR HA 1 37 HIS HA 0.000 . 4.000 3.045 2.509 4.112 0.112 6 0 "[ . 1]" 1
117 1 23 GLY H 1 36 VAL H 0.000 . 4.000 3.076 2.817 3.438 . 0 0 "[ . 1]" 1
118 1 23 GLY QA 1 24 PHE H 0.000 . 7.300 2.295 2.222 2.386 . 0 0 "[ . 1]" 1
119 1 24 PHE HA 1 25 ILE H 0.000 . 3.300 2.215 2.058 2.361 . 0 0 "[ . 1]" 1
120 1 24 PHE HA 1 35 PHE HA 0.000 . 5.000 2.565 2.167 3.061 . 0 0 "[ . 1]" 1
121 1 24 PHE HA 1 36 VAL H 0.000 . 4.000 3.092 2.707 3.360 . 0 0 "[ . 1]" 1
122 1 24 PHE HA 1 36 VAL QG 0.000 . 7.300 2.746 2.259 3.228 . 0 0 "[ . 1]" 1
123 1 24 PHE QB 1 25 ILE H 0.000 . 5.000 2.565 2.429 2.758 . 0 0 "[ . 1]" 1
124 1 24 PHE QB 1 35 PHE H 0.000 . 5.000 4.264 3.889 4.565 . 0 0 "[ . 1]" 1
125 1 25 ILE H 1 25 ILE HB 0.000 . 3.300 2.810 2.730 2.892 . 0 0 "[ . 1]" 1
126 1 25 ILE H 1 25 ILE QG 0.000 . 3.500 2.190 2.088 2.368 . 0 0 "[ . 1]" 1
127 1 25 ILE H 1 34 VAL H 0.000 . 4.000 2.904 2.581 3.183 . 0 0 "[ . 1]" 1
128 1 25 ILE H 1 34 VAL HB 0.000 . 3.500 2.956 2.170 3.512 0.012 9 0 "[ . 1]" 1
129 1 25 ILE HA 1 26 ASN H 0.000 . 3.300 2.323 2.152 2.459 . 0 0 "[ . 1]" 1
130 1 25 ILE HB 1 26 ASN H 0.000 . 3.500 3.537 3.276 3.629 0.129 8 0 "[ . 1]" 1
131 1 25 ILE HB 1 27 ARG H 0.000 . 3.500 3.676 3.626 3.786 0.286 2 0 "[ . 1]" 1
132 1 25 ILE MD 1 36 VAL HB 0.000 . 5.000 3.424 2.485 4.124 . 0 0 "[ . 1]" 1
133 1 25 ILE MD 1 36 VAL QG 0.000 . 7.300 2.311 1.860 3.056 . 0 0 "[ . 1]" 1
134 1 25 ILE MD 1 59 VAL QG 0.000 . 7.300 2.508 2.110 3.631 . 0 0 "[ . 1]" 1
135 1 25 ILE MD 1 61 PHE QD 0.000 . 7.300 3.380 2.652 4.477 . 0 0 "[ . 1]" 1
136 1 25 ILE QG 1 36 VAL QG 0.000 . 7.300 2.349 2.020 3.025 . 0 0 "[ . 1]" 1
137 1 25 ILE MG 1 26 ASN H 0.000 . 3.300 2.135 1.997 2.206 . 0 0 "[ . 1]" 1
138 1 25 ILE MG 1 59 VAL QG 0.000 . 7.300 2.773 2.106 4.153 . 0 0 "[ . 1]" 1
139 1 25 ILE MG 1 61 PHE QE 0.000 . 5.500 2.305 2.077 2.513 . 0 0 "[ . 1]" 1
140 1 25 ILE MG 1 61 PHE HZ 0.000 . 5.000 2.972 2.588 3.557 . 0 0 "[ . 1]" 1
141 1 26 ASN HA 1 27 ARG H 0.000 . 3.300 2.252 2.183 2.326 . 0 0 "[ . 1]" 1
142 1 26 ASN HA 1 33 ASP HA 0.000 . 4.000 3.631 3.185 4.179 0.179 5 0 "[ . 1]" 1
143 1 26 ASN QD 1 31 LYS HA 0.000 . 4.500 3.343 2.511 3.827 . 0 0 "[ . 1]" 1
144 1 26 ASN QD 1 31 LYS QB 0.000 . 5.000 2.768 2.331 3.575 . 0 0 "[ . 1]" 1
145 1 27 ARG H 1 27 ARG QG 0.000 . 4.000 3.782 3.677 3.847 . 0 0 "[ . 1]" 1
146 1 27 ARG H 1 32 GLU H 0.000 . 4.000 3.554 3.194 4.080 0.080 5 0 "[ . 1]" 1
147 1 27 ARG HA 1 28 ASN H 0.000 . 7.300 2.163 2.074 2.269 . 0 0 "[ . 1]" 1
148 1 27 ARG HA 1 61 PHE HZ 0.000 . 5.000 2.765 2.087 3.444 . 0 0 "[ . 1]" 1
149 1 27 ARG QB 1 32 GLU H 0.000 . 4.500 2.630 2.184 3.058 . 0 0 "[ . 1]" 1
150 1 27 ARG QD 1 32 GLU H 0.000 . 5.000 3.611 3.125 4.263 . 0 0 "[ . 1]" 1
151 1 27 ARG QD 1 63 VAL QG 0.000 . 7.300 2.400 1.911 3.370 . 0 0 "[ . 1]" 1
152 1 27 ARG QG 1 63 VAL QG 0.000 . 7.300 2.482 1.886 3.503 . 0 0 "[ . 1]" 1
153 1 28 ASN H 1 29 ASP H 0.000 . 7.300 3.407 2.798 4.349 . 0 0 "[ . 1]" 1
154 1 29 ASP H 1 30 THR H 0.000 . 3.300 2.950 2.527 3.362 0.062 4 0 "[ . 1]" 1
155 1 29 ASP H 1 31 LYS QD 0.000 . 6.800 4.801 4.020 5.571 . 0 0 "[ . 1]" 1
156 1 29 ASP QB 1 30 THR H 0.000 . 3.300 2.371 2.042 2.893 . 0 0 "[ . 1]" 1
157 1 30 THR H 1 30 THR MG 0.000 . 3.300 2.432 2.317 2.523 . 0 0 "[ . 1]" 1
158 1 30 THR H 1 31 LYS H 0.000 . 4.000 2.080 1.657 2.365 . 0 0 "[ . 1]" 1
159 1 30 THR H 1 31 LYS QB 0.000 . 5.000 4.640 4.571 4.723 . 0 0 "[ . 1]" 1
160 1 30 THR H 1 31 LYS QD 0.000 . 5.000 4.124 3.490 4.540 . 0 0 "[ . 1]" 1
161 1 30 THR H 1 32 GLU QB 0.000 . 4.500 3.884 3.768 4.035 . 0 0 "[ . 1]" 1
162 1 30 THR HA 1 31 LYS H 0.000 . 7.300 2.825 2.621 3.223 . 0 0 "[ . 1]" 1
163 1 30 THR HB 1 31 LYS H 0.000 . 7.300 4.443 4.031 4.570 . 0 0 "[ . 1]" 1
164 1 30 THR MG 1 31 LYS H 0.000 . 5.000 3.719 3.018 3.976 . 0 0 "[ . 1]" 1
165 1 31 LYS H 1 31 LYS QD 0.000 . 4.500 2.507 2.228 2.787 . 0 0 "[ . 1]" 1
166 1 31 LYS H 1 31 LYS QG 0.000 . 5.000 3.339 2.956 3.753 . 0 0 "[ . 1]" 1
167 1 31 LYS H 1 32 GLU H 0.000 . 5.000 3.160 2.509 3.497 . 0 0 "[ . 1]" 1
168 1 31 LYS H 1 32 GLU QB 0.000 . 7.300 4.590 3.819 5.145 . 0 0 "[ . 1]" 1
169 1 31 LYS H 1 32 GLU QG 0.000 . 7.300 4.128 3.633 4.659 . 0 0 "[ . 1]" 1
170 1 31 LYS HA 1 32 GLU H 0.000 . 3.300 2.500 2.321 2.701 . 0 0 "[ . 1]" 1
171 1 32 GLU H 1 32 GLU QG 0.000 . 3.300 2.754 2.218 3.177 . 0 0 "[ . 1]" 1
172 1 32 GLU H 1 63 VAL QG 0.000 . 6.800 5.271 5.152 5.342 . 0 0 "[ . 1]" 1
173 1 32 GLU HA 1 33 ASP H 0.000 . 7.300 2.240 2.123 2.395 . 0 0 "[ . 1]" 1
174 1 32 GLU HA 1 69 GLY QA 0.000 . 7.300 6.453 6.096 6.708 . 0 0 "[ . 1]" 1
175 1 32 GLU QB 1 33 ASP H 0.000 . 5.000 3.052 2.639 3.292 . 0 0 "[ . 1]" 1
176 1 33 ASP H 1 70 ALA H 0.000 . 5.000 5.049 4.886 5.143 0.143 5 0 "[ . 1]" 1
177 1 33 ASP HA 1 34 VAL H 0.000 . 3.300 2.128 2.045 2.214 . 0 0 "[ . 1]" 1
178 1 34 VAL H 1 34 VAL HB 0.000 . 3.300 2.465 2.214 2.627 . 0 0 "[ . 1]" 1
179 1 34 VAL HA 1 35 PHE H 0.000 . 3.300 2.187 2.096 2.305 . 0 0 "[ . 1]" 1
180 1 34 VAL HA 1 70 ALA H 0.000 . 5.000 3.972 3.601 4.545 . 0 0 "[ . 1]" 1
181 1 34 VAL HB 1 35 PHE H 0.000 . 7.300 4.403 4.320 4.515 . 0 0 "[ . 1]" 1
182 1 34 VAL QG 1 35 PHE H 0.000 . 5.000 3.010 2.813 3.277 . 0 0 "[ . 1]" 1
183 1 35 PHE H 1 70 ALA H 0.000 . 5.000 4.525 3.880 4.826 . 0 0 "[ . 1]" 1
184 1 35 PHE H 1 71 GLU HA 0.000 . 3.300 2.445 2.236 2.596 . 0 0 "[ . 1]" 1
185 1 35 PHE H 1 72 ALA H 0.000 . 5.500 4.752 4.532 4.950 . 0 0 "[ . 1]" 1
186 1 35 PHE HA 1 36 VAL H 0.000 . 3.300 2.180 2.105 2.236 . 0 0 "[ . 1]" 1
187 1 35 PHE QB 1 71 GLU HA 0.000 . 5.000 3.039 2.374 4.236 . 0 0 "[ . 1]" 1
188 1 36 VAL H 1 36 VAL HB 0.000 . 4.000 2.838 2.418 3.196 . 0 0 "[ . 1]" 1
189 1 36 VAL HA 1 37 HIS H 0.000 . 3.300 2.134 2.084 2.217 . 0 0 "[ . 1]" 1
190 1 36 VAL HA 1 72 ALA H 0.000 . 3.500 3.544 3.353 3.660 0.160 2 0 "[ . 1]" 1
191 1 36 VAL QG 1 37 HIS H 0.000 . 4.500 2.549 2.295 2.782 . 0 0 "[ . 1]" 1
192 1 36 VAL QG 1 40 ALA MB 0.000 . 7.300 2.318 2.070 2.656 . 0 0 "[ . 1]" 1
193 1 36 VAL QG 1 72 ALA H 0.000 . 6.800 3.875 3.434 4.269 . 0 0 "[ . 1]" 1
194 1 36 VAL QG 1 73 ALA H 0.000 . 5.000 3.159 3.080 3.272 . 0 0 "[ . 1]" 1
195 1 36 VAL QG 1 74 ASN H 0.000 . 6.800 3.427 3.216 3.639 . 0 0 "[ . 1]" 1
196 1 37 HIS H 1 40 ALA H 0.000 . 4.500 3.849 3.268 4.109 . 0 0 "[ . 1]" 1
197 1 37 HIS H 1 40 ALA MB 0.000 . 4.000 2.756 2.321 3.085 . 0 0 "[ . 1]" 1
198 1 37 HIS H 1 72 ALA H 0.000 . 5.000 4.731 4.357 5.033 0.033 9 0 "[ . 1]" 1
199 1 37 HIS HA 1 38 GLN H 0.000 . 3.300 2.395 2.265 2.542 . 0 0 "[ . 1]" 1
200 1 37 HIS QB 1 38 GLN H 0.000 . 4.500 3.041 2.335 3.696 . 0 0 "[ . 1]" 1
201 1 37 HIS QB 1 40 ALA H 0.000 . 4.500 3.652 3.136 4.199 . 0 0 "[ . 1]" 1
202 1 37 HIS HE1 1 39 THR MG 0.000 . 5.000 3.344 2.411 4.219 . 0 0 "[ . 1]" 1
203 1 38 GLN H 1 38 GLN QG 0.000 . 3.300 2.252 1.828 3.026 . 0 0 "[ . 1]" 1
204 1 38 GLN HA 1 38 GLN QG 0.000 . 4.000 2.877 2.323 3.539 . 0 0 "[ . 1]" 1
205 1 38 GLN HA 1 40 ALA H 0.000 . 4.500 3.888 3.660 4.220 . 0 0 "[ . 1]" 1
206 1 38 GLN HA 1 41 ILE MD 0.000 . 5.000 2.512 2.251 3.627 . 0 0 "[ . 1]" 1
207 1 39 THR H 1 40 ALA H 0.000 . 4.000 2.696 2.548 2.877 . 0 0 "[ . 1]" 1
208 1 39 THR HA 1 40 ALA H 0.000 . 4.000 3.468 3.362 3.555 . 0 0 "[ . 1]" 1
209 1 40 ALA H 1 40 ALA MB 0.000 . 3.300 2.212 2.153 2.246 . 0 0 "[ . 1]" 1
210 1 40 ALA H 1 41 ILE H 0.000 . 4.000 2.402 2.291 2.542 . 0 0 "[ . 1]" 1
211 1 40 ALA H 1 41 ILE HB 0.000 . 4.500 4.524 4.389 4.580 0.080 1 0 "[ . 1]" 1
212 1 40 ALA HA 1 41 ILE H 0.000 . 3.500 3.446 3.394 3.498 . 0 0 "[ . 1]" 1
213 1 40 ALA MB 1 41 ILE H 0.000 . 4.500 2.963 2.762 3.112 . 0 0 "[ . 1]" 1
214 1 40 ALA MB 1 73 ALA HA 0.000 . 5.000 2.364 1.996 2.726 . 0 0 "[ . 1]" 1
215 1 40 ALA MB 1 74 ASN H 0.000 . 5.000 3.415 2.978 3.782 . 0 0 "[ . 1]" 1
216 1 40 ALA MB 1 75 VAL H 0.000 . 4.500 3.426 3.134 3.523 . 0 0 "[ . 1]" 1
217 1 41 ILE H 1 41 ILE HB 0.000 . 3.300 2.369 2.268 2.485 . 0 0 "[ . 1]" 1
218 1 41 ILE H 1 41 ILE QG 0.000 . 4.000 2.198 2.014 2.303 . 0 0 "[ . 1]" 1
219 1 41 ILE HA 1 42 LYS H 0.000 . 3.300 2.161 2.118 2.263 . 0 0 "[ . 1]" 1
220 1 41 ILE HA 1 75 VAL H 0.000 . 4.000 3.233 2.835 3.777 . 0 0 "[ . 1]" 1
221 1 41 ILE HA 1 75 VAL HB 0.000 . 4.000 2.128 2.059 2.240 . 0 0 "[ . 1]" 1
222 1 42 LYS H 1 42 LYS QG 0.000 . 3.300 2.560 2.115 2.938 . 0 0 "[ . 1]" 1
223 1 42 LYS H 1 75 VAL H 0.000 . 4.000 3.683 3.309 4.065 0.065 7 0 "[ . 1]" 1
224 1 42 LYS H 1 75 VAL QG 0.000 . 5.500 4.051 3.921 4.234 . 0 0 "[ . 1]" 1
225 1 42 LYS QB 1 76 THR MG 0.000 . 7.300 3.664 2.135 5.137 . 0 0 "[ . 1]" 1
226 1 45 ASN HA 1 46 PRO QD 0.000 . 5.000 2.110 2.029 2.291 . 0 0 "[ . 1]" 1
227 1 49 TYR HA 1 50 LEU H 0.000 . 2.800 2.470 2.201 2.922 0.122 4 0 "[ . 1]" 1
228 1 50 LEU H 1 50 LEU QB 0.000 . 3.300 2.404 2.132 2.979 . 0 0 "[ . 1]" 1
229 1 53 VAL HB 1 54 GLY H 0.000 . 3.500 2.338 2.034 2.602 . 0 0 "[ . 1]" 1
230 1 54 GLY H 1 57 GLU QB 0.000 . 4.500 3.386 2.807 3.888 . 0 0 "[ . 1]" 1
231 1 54 GLY QA 1 55 ASP H 0.000 . 5.000 2.255 2.124 2.558 . 0 0 "[ . 1]" 1
232 1 55 ASP H 1 55 ASP QB 0.000 . 3.300 2.533 2.180 2.994 . 0 0 "[ . 1]" 1
233 1 55 ASP HA 1 56 GLY H 0.000 . 2.800 2.284 2.078 3.019 0.219 9 0 "[ . 1]" 1
234 1 55 ASP QB 1 56 GLY H 0.000 . 5.000 3.285 2.284 4.001 . 0 0 "[ . 1]" 1
235 1 56 GLY H 1 57 GLU H 0.000 . 5.000 2.641 2.136 3.914 . 0 0 "[ . 1]" 1
236 1 56 GLY QA 1 57 GLU H 0.000 . 5.000 2.776 2.343 2.955 . 0 0 "[ . 1]" 1
237 1 57 GLU H 1 57 GLU QG 0.000 . 3.300 2.447 2.178 2.870 . 0 0 "[ . 1]" 1
238 1 57 GLU HA 1 58 THR H 0.000 . 3.300 2.323 2.248 2.434 . 0 0 "[ . 1]" 1
239 1 57 GLU QB 1 58 THR H 0.000 . 5.000 2.530 2.376 2.657 . 0 0 "[ . 1]" 1
240 1 57 GLU QG 1 58 THR H 0.000 . 4.000 3.501 3.352 3.786 . 0 0 "[ . 1]" 1
241 1 58 THR H 1 58 THR HB 0.000 . 3.300 3.304 2.857 3.570 0.270 9 0 "[ . 1]" 1
242 1 58 THR HA 1 59 VAL H 0.000 . 3.300 2.181 2.096 2.279 . 0 0 "[ . 1]" 1
243 1 58 THR HA 1 59 VAL QG 0.000 . 7.300 3.373 3.201 3.585 . 0 0 "[ . 1]" 1
244 1 58 THR HB 1 59 VAL H 0.000 . 3.300 3.042 2.464 3.560 0.260 1 0 "[ . 1]" 1
245 1 58 THR MG 1 59 VAL H 0.000 . 4.000 2.898 2.104 3.304 . 0 0 "[ . 1]" 1
246 1 59 VAL HA 1 60 GLU H 0.000 . 7.300 2.359 2.272 2.451 . 0 0 "[ . 1]" 1
247 1 59 VAL HA 1 77 GLY QA 0.000 . 5.500 3.156 2.018 4.824 . 0 0 "[ . 1]" 1
248 1 59 VAL HA 1 78 PRO QD 0.000 . 5.500 3.737 2.215 4.994 . 0 0 "[ . 1]" 1
249 1 59 VAL QG 1 60 GLU H 0.000 . 7.300 2.623 2.159 3.432 . 0 0 "[ . 1]" 1
250 1 59 VAL QG 1 61 PHE QD 0.000 . 7.300 2.249 2.041 2.695 . 0 0 "[ . 1]" 1
251 1 59 VAL QG 1 61 PHE QE 0.000 . 7.300 2.743 2.074 4.018 . 0 0 "[ . 1]" 1
252 1 60 GLU H 1 76 THR H 0.000 . 6.800 3.388 2.783 5.016 . 0 0 "[ . 1]" 1
253 1 60 GLU HA 1 61 PHE H 0.000 . 3.300 2.100 2.036 2.203 . 0 0 "[ . 1]" 1
254 1 60 GLU HA 1 61 PHE QD 0.000 . 4.000 3.255 3.028 3.518 . 0 0 "[ . 1]" 1
255 1 60 GLU QB 1 76 THR H 0.000 . 6.800 3.144 2.283 3.941 . 0 0 "[ . 1]" 1
256 1 60 GLU QB 1 61 PHE H 0.000 . 5.000 2.675 2.516 2.815 . 0 0 "[ . 1]" 1
257 1 60 GLU HB2 1 75 VAL H 0.000 . 7.300 7.234 6.668 7.582 0.282 3 0 "[ . 1]" 1
258 1 61 PHE HA 1 62 ASP H 0.000 . 7.300 2.486 2.373 2.637 . 0 0 "[ . 1]" 1
259 1 61 PHE HA 1 75 VAL HA 0.000 . 5.000 2.850 2.653 3.249 . 0 0 "[ . 1]" 1
260 1 61 PHE HA 1 75 VAL QG 0.000 . 7.300 2.862 2.642 3.149 . 0 0 "[ . 1]" 1
261 1 61 PHE QB 1 62 ASP H 0.000 . 7.300 2.350 2.080 2.643 . 0 0 "[ . 1]" 1
262 1 61 PHE QB 1 73 ALA H 0.000 . 4.500 3.112 2.904 3.256 . 0 0 "[ . 1]" 1
263 1 61 PHE QB 1 75 VAL HA 0.000 . 4.000 3.052 2.581 3.529 . 0 0 "[ . 1]" 1
264 1 61 PHE QB 1 75 VAL QG 0.000 . 7.300 1.983 1.909 2.093 . 0 0 "[ . 1]" 1
265 1 61 PHE QB 1 76 THR H 0.000 . 6.800 4.339 4.008 5.286 . 0 0 "[ . 1]" 1
266 1 61 PHE QD 1 63 VAL QG 0.000 . 7.300 2.564 2.320 2.893 . 0 0 "[ . 1]" 1
267 1 61 PHE QD 1 72 ALA HA 0.000 . 5.000 3.925 3.571 4.255 . 0 0 "[ . 1]" 1
268 1 61 PHE QD 1 72 ALA MB 0.000 . 7.300 3.193 2.899 3.362 . 0 0 "[ . 1]" 1
269 1 61 PHE QD 1 75 VAL QG 0.000 . 7.300 3.017 2.655 3.341 . 0 0 "[ . 1]" 1
270 1 61 PHE QE 1 63 VAL QG 0.000 . 7.300 2.050 1.932 2.165 . 0 0 "[ . 1]" 1
271 1 62 ASP H 1 73 ALA H 0.000 . 5.000 2.296 2.010 2.570 . 0 0 "[ . 1]" 1
272 1 62 ASP H 1 73 ALA MB 0.000 . 7.300 3.710 3.441 3.848 . 0 0 "[ . 1]" 1
273 1 62 ASP H 1 74 ASN HA 0.000 . 6.800 5.934 5.495 6.850 0.050 7 0 "[ . 1]" 1
274 1 62 ASP HA 1 63 VAL H 0.000 . 3.300 2.377 2.299 2.433 . 0 0 "[ . 1]" 1
275 1 62 ASP QB 1 63 VAL H 0.000 . 5.000 2.937 2.728 3.185 . 0 0 "[ . 1]" 1
276 1 62 ASP QB 1 73 ALA MB 0.000 . 5.000 2.371 2.195 2.790 . 0 0 "[ . 1]" 1
277 1 63 VAL H 1 63 VAL HB 0.000 . 3.300 2.553 2.394 2.718 . 0 0 "[ . 1]" 1
278 1 63 VAL H 1 64 VAL QG 0.000 . 5.000 3.008 2.646 3.367 . 0 0 "[ . 1]" 1
279 1 63 VAL HA 1 64 VAL H 0.000 . 2.800 2.340 2.258 2.440 . 0 0 "[ . 1]" 1
280 1 63 VAL HA 1 72 ALA HA 0.000 . 5.000 3.449 3.064 3.870 . 0 0 "[ . 1]" 1
281 1 63 VAL HA 1 72 ALA MB 0.000 . 5.000 4.025 3.920 4.087 . 0 0 "[ . 1]" 1
282 1 63 VAL QG 1 64 VAL H 0.000 . 5.500 3.293 3.049 3.489 . 0 0 "[ . 1]" 1
283 1 63 VAL QG 1 70 ALA MB 0.000 . 7.300 2.022 1.847 2.298 . 0 0 "[ . 1]" 1
284 1 64 VAL H 1 64 VAL HB 0.000 . 3.500 3.599 3.529 3.644 0.144 7 0 "[ . 1]" 1
285 1 64 VAL H 1 64 VAL QG 0.000 . 3.500 2.022 1.967 2.084 . 0 0 "[ . 1]" 1
286 1 64 VAL H 1 71 GLU QB 0.000 . 5.000 4.626 3.963 4.816 . 0 0 "[ . 1]" 1
287 1 64 VAL H 1 71 GLU QG 0.000 . 4.500 3.615 3.232 3.996 . 0 0 "[ . 1]" 1
288 1 64 VAL HA 1 65 GLU H 0.000 . 7.300 2.190 2.115 2.308 . 0 0 "[ . 1]" 1
289 1 64 VAL HB 1 65 GLU H 0.000 . 7.300 3.638 2.913 4.170 . 0 0 "[ . 1]" 1
290 1 64 VAL QG 1 71 GLU H 0.000 . 6.800 3.672 3.148 4.591 . 0 0 "[ . 1]" 1
291 1 64 VAL QG 1 73 ALA H 0.000 . 5.000 3.120 2.718 3.414 . 0 0 "[ . 1]" 1
292 1 64 VAL QG 1 73 ALA MB 0.000 . 7.300 2.388 2.017 2.845 . 0 0 "[ . 1]" 1
293 1 65 GLU H 1 66 GLY H 0.000 . 7.300 3.834 2.219 4.575 . 0 0 "[ . 1]" 1
294 1 65 GLU H 1 70 ALA MB 0.000 . 6.800 4.247 3.268 5.182 . 0 0 "[ . 1]" 1
295 1 65 GLU HA 1 66 GLY H 0.000 . 3.300 2.611 1.807 3.519 0.219 7 0 "[ . 1]" 1
296 1 65 GLU HA 1 70 ALA HA 0.000 . 5.000 3.293 1.984 4.981 . 0 0 "[ . 1]" 1
297 1 65 GLU HA 1 70 ALA MB 0.000 . 7.300 4.168 2.661 6.081 . 0 0 "[ . 1]" 1
298 1 65 GLU QB 1 66 GLY H 0.000 . 6.800 2.936 1.743 3.814 . 0 0 "[ . 1]" 1
299 1 65 GLU QG 1 66 GLY H 0.000 . 4.500 2.535 1.859 3.288 . 0 0 "[ . 1]" 1
300 1 65 GLU QG 1 69 GLY H 0.000 . 5.000 3.862 3.047 4.627 . 0 0 "[ . 1]" 1
301 1 66 GLY H 1 69 GLY H 0.000 . 5.000 4.456 3.760 5.065 0.065 2 0 "[ . 1]" 1
302 1 66 GLY H 1 70 ALA HA 0.000 . 3.500 3.202 2.085 3.780 0.280 5 0 "[ . 1]" 1
303 1 66 GLY QA 1 67 GLU H 0.000 . 4.000 2.484 2.113 2.709 . 0 0 "[ . 1]" 1
304 1 67 GLU H 1 67 GLU QG 0.000 . 3.300 2.318 1.884 2.824 . 0 0 "[ . 1]" 1
305 1 67 GLU HA 1 68 LYS H 0.000 . 4.000 3.383 3.013 3.637 . 0 0 "[ . 1]" 1
306 1 67 GLU QB 1 68 LYS H 0.000 . 4.500 2.210 1.773 3.237 . 0 0 "[ . 1]" 1
307 1 68 LYS H 1 68 LYS QG 0.000 . 3.300 2.101 1.877 2.490 . 0 0 "[ . 1]" 1
308 1 68 LYS H 1 69 GLY H 0.000 . 4.000 2.700 2.356 3.595 . 0 0 "[ . 1]" 1
309 1 68 LYS QB 1 69 GLY H 0.000 . 4.500 3.308 2.281 4.042 . 0 0 "[ . 1]" 1
310 1 69 GLY QA 1 70 ALA H 0.000 . 5.000 2.270 2.149 2.373 . 0 0 "[ . 1]" 1
311 1 70 ALA H 1 70 ALA MB 0.000 . 3.300 2.382 2.212 2.629 . 0 0 "[ . 1]" 1
312 1 70 ALA HA 1 71 GLU H 0.000 . 2.800 2.283 2.121 2.453 . 0 0 "[ . 1]" 1
313 1 71 GLU H 1 71 GLU QB 0.000 . 3.300 2.877 2.527 3.008 . 0 0 "[ . 1]" 1
314 1 71 GLU HA 1 72 ALA H 0.000 . 7.300 2.694 2.554 2.826 . 0 0 "[ . 1]" 1
315 1 71 GLU QB 1 72 ALA H 0.000 . 4.500 2.252 1.884 3.385 . 0 0 "[ . 1]" 1
316 1 72 ALA H 1 72 ALA MB 0.000 . 3.300 2.468 2.347 2.544 . 0 0 "[ . 1]" 1
317 1 72 ALA HA 1 73 ALA H 0.000 . 2.800 2.207 2.114 2.307 . 0 0 "[ . 1]" 1
318 1 72 ALA MB 1 73 ALA H 0.000 . 4.000 2.703 2.480 3.062 . 0 0 "[ . 1]" 1
319 1 73 ALA HA 1 75 VAL QG 0.000 . 7.300 3.020 2.700 3.241 . 0 0 "[ . 1]" 1
320 1 73 ALA MB 1 74 ASN H 0.000 . 4.500 2.551 2.421 2.804 . 0 0 "[ . 1]" 1
321 1 73 ALA MB 1 74 ASN QD 0.000 . 6.800 3.074 2.464 4.535 . 0 0 "[ . 1]" 1
322 1 74 ASN H 1 75 VAL H 0.000 . 4.000 3.055 2.869 3.387 . 0 0 "[ . 1]" 1
323 1 74 ASN HA 1 75 VAL H 0.000 . 2.800 2.545 2.367 2.724 . 0 0 "[ . 1]" 1
324 1 75 VAL H 1 75 VAL QG 0.000 . 4.000 2.104 1.965 2.210 . 0 0 "[ . 1]" 1
325 1 75 VAL HA 1 76 THR H 0.000 . 6.800 2.155 2.103 2.238 . 0 0 "[ . 1]" 1
326 1 75 VAL QG 1 76 THR H 0.000 . 7.300 2.801 2.370 3.162 . 0 0 "[ . 1]" 1
327 1 76 THR HA 1 77 GLY H 0.000 . 3.300 2.917 2.276 3.504 0.204 6 0 "[ . 1]" 1
328 1 76 THR HB 1 77 GLY H 0.000 . 3.300 2.376 1.753 3.442 0.142 7 0 "[ . 1]" 1
329 1 76 THR MG 1 77 GLY H 0.000 . 4.000 2.797 1.966 3.540 . 0 0 "[ . 1]" 1
330 1 77 GLY QA 1 78 PRO QD 0.000 . 7.300 2.043 1.912 2.182 . 0 0 "[ . 1]" 1
331 1 78 PRO HA 1 79 GLY H 0.000 . 7.300 2.595 2.261 3.566 . 0 0 "[ . 1]" 1
332 1 78 PRO QB 1 79 GLY H 0.000 . 6.800 2.864 2.418 3.483 . 0 0 "[ . 1]" 1
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