Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574827 | 2mb1 RC | 19383 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mb1
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 295
_Distance_constraint_stats_list.Viol_count 1523
_Distance_constraint_stats_list.Viol_total 5591.891
_Distance_constraint_stats_list.Viol_max 1.358
_Distance_constraint_stats_list.Viol_rms 0.1583
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0474
_Distance_constraint_stats_list.Viol_average_violations_only 0.1836
_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 ALA 1.248 0.081 6 0 "[ . 1 . 2]"
1 2 GLN 1.941 0.108 19 0 "[ . 1 . 2]"
1 3 PRO 1.953 0.456 5 0 "[ . 1 . 2]"
1 4 LYS 33.086 0.982 12 20 [*********-*+********]
1 5 CYS 28.316 0.982 12 20 [**-********+********]
1 6 ASN 8.738 0.546 13 2 "[ - . 1 + . 2]"
1 7 PRO 8.678 0.502 19 1 "[ . 1 . +2]"
1 8 ASN 11.149 0.765 13 2 "[ . 1 + . -2]"
1 9 LEU 3.297 0.765 13 1 "[ . 1 + . 2]"
1 10 HIS 0.234 0.024 10 0 "[ . 1 . 2]"
1 11 TYR 7.668 0.667 15 5 "[- * .* 1 * + 2]"
1 12 TRP 7.976 0.667 15 5 "[- * .* 1 * + 2]"
1 13 THR 3.425 0.142 6 0 "[ . 1 . 2]"
1 14 THR 8.932 0.344 20 0 "[ . 1 . 2]"
1 15 GLN 18.564 0.707 16 20 [************-**+****]
1 16 ASP 37.628 0.840 6 20 [*****+******-*******]
1 17 GLU 9.123 0.408 16 0 "[ . 1 . 2]"
1 18 GLY 19.129 0.809 14 20 [************-+******]
1 19 ALA 34.477 0.840 6 20 [*****+**************]
1 20 ALA 18.807 0.502 6 1 "[ .+ 1 . 2]"
1 21 ILE 33.441 0.621 13 2 "[ .- 1 + . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 1.590 0.138 16 0 "[ . 1 . 2]"
1 24 ALA 3.230 0.241 4 0 "[ . 1 . 2]"
1 25 TRP 8.938 0.610 13 1 "[ . 1 + . 2]"
1 26 ILE 3.114 0.392 4 0 "[ . 1 . 2]"
1 27 PRO 0.440 0.046 7 0 "[ . 1 . 2]"
1 28 TYR 0.076 0.019 1 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 2.646 0.363 16 0 "[ . 1 . 2]"
1 32 ALA 2.701 0.363 16 0 "[ . 1 . 2]"
1 33 ALA 4.978 0.142 5 0 "[ . 1 . 2]"
1 34 GLU 6.188 0.142 5 0 "[ . 1 . 2]"
1 35 GLY 0.024 0.024 4 0 "[ . 1 . 2]"
1 36 ILE 22.982 0.994 1 20 [+*******-***********]
1 37 TYR 21.163 0.994 1 20 [+*******-***********]
1 38 ALA 3.243 0.118 17 0 "[ . 1 . 2]"
1 39 GLU 5.318 0.141 4 0 "[ . 1 . 2]"
1 40 GLY 1.629 0.099 4 0 "[ . 1 . 2]"
1 41 LEU 5.113 0.307 13 0 "[ . 1 . 2]"
1 42 MET 28.284 1.358 11 20 [**********+*-*******]
1 43 HIS 0.824 0.124 11 0 "[ . 1 . 2]"
1 44 ASN 30.477 1.358 11 20 [**********+*-*******]
1 45 GLN 4.473 0.129 13 0 "[ . 1 . 2]"
1 46 ASP 0.650 0.098 8 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 1.088 0.055 5 0 "[ . 1 . 2]"
1 49 ILE 15.996 0.769 12 18 "[**- *******+**.*****]"
1 50 CYS 13.451 0.769 12 18 "[**- *******+**.*****]"
1 51 GLY 0.333 0.099 19 0 "[ . 1 . 2]"
1 52 LEU 3.390 0.204 7 0 "[ . 1 . 2]"
1 53 ARG 19.391 0.920 11 20 [**-*******+*********]
1 54 GLN 18.415 0.920 11 20 [**-*******+*********]
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 ALA HA 1 54 GLN H 1.800 . 3.890 3.858 3.538 3.934 0.044 6 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 GLN HA 1.800 . 3.860 3.900 3.865 3.941 0.081 6 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 3 PRO QB 1.800 . 4.460 4.282 3.833 4.507 0.047 14 0 "[ . 1 . 2]" 1
4 1 2 GLN H 1 53 ARG HA 1.800 . 4.680 4.702 4.404 4.788 0.108 19 0 "[ . 1 . 2]" 1
5 1 2 GLN HA 1 4 LYS H 1.800 . 4.230 3.866 3.169 4.284 0.054 13 0 "[ . 1 . 2]" 1
6 1 3 PRO HA 1 4 LYS H 1.800 . 4.370 3.406 2.593 3.549 . 0 0 "[ . 1 . 2]" 1
7 1 3 PRO QB 1 4 LYS H 1.800 . 3.540 2.771 1.894 3.996 0.456 5 0 "[ . 1 . 2]" 1
8 1 3 PRO QB 1 5 CYS QB 1.800 . 4.560 4.485 3.999 4.634 0.074 19 0 "[ . 1 . 2]" 1
9 1 3 PRO QD 1 5 CYS QB 1.800 . 4.370 4.129 3.625 4.404 0.034 7 0 "[ . 1 . 2]" 1
10 1 3 PRO QD 1 53 ARG QB 1.800 . 4.410 4.034 2.627 4.448 0.038 14 0 "[ . 1 . 2]" 1
11 1 3 PRO QG 1 4 LYS H 1.800 . 4.460 3.213 1.996 4.468 0.008 12 0 "[ . 1 . 2]" 1
12 1 4 LYS H 1 4 LYS QE 1.800 . 3.990 4.137 3.092 4.618 0.628 3 11 "[ *+** ** -** . ** 2]" 1
13 1 4 LYS H 1 4 LYS QG 1.800 . 3.270 3.401 2.659 4.013 0.743 7 8 "[ ***. +* 1- . ** 2]" 1
14 1 4 LYS HA 1 5 CYS H 1.800 . 4.860 3.430 3.362 3.460 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS QB 1 5 CYS H 1.800 . 4.090 3.360 2.090 3.659 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS QD 1 4 LYS QG 1.800 . 2.840 2.042 1.997 2.086 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS QE 1 5 CYS HA 1.800 . 4.230 3.990 2.494 4.264 0.034 8 0 "[ . 1 . 2]" 1
18 1 4 LYS QG 1 5 CYS H 1.800 . 4.200 2.218 1.862 2.759 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS QG 1 5 CYS QB 1.800 . 3.290 4.208 4.134 4.272 0.982 12 20 [*-*********+********] 1
20 1 5 CYS H 1 5 CYS QB 1.800 . 3.830 2.926 2.801 3.084 . 0 0 "[ . 1 . 2]" 1
21 1 5 CYS H 1 6 ASN H 1.800 . 4.400 3.211 2.715 3.686 . 0 0 "[ . 1 . 2]" 1
22 1 5 CYS HA 1 6 ASN H 1.800 . 4.540 2.425 2.160 2.784 . 0 0 "[ . 1 . 2]" 1
23 1 5 CYS HA 1 7 PRO QD 1.800 . 3.530 3.555 3.537 3.573 0.043 4 0 "[ . 1 . 2]" 1
24 1 5 CYS QB 1 6 ASN H 1.800 . 3.480 3.917 3.791 4.026 0.546 13 2 "[ - . 1 + . 2]" 1
25 1 6 ASN H 1 6 ASN QB 1.800 . 3.660 2.580 2.309 3.121 . 0 0 "[ . 1 . 2]" 1
26 1 6 ASN H 1 7 PRO QD 1.800 . 4.870 3.256 2.826 3.542 . 0 0 "[ . 1 . 2]" 1
27 1 6 ASN HA 1 7 PRO QD 1.800 . 3.530 2.065 1.992 2.229 . 0 0 "[ . 1 . 2]" 1
28 1 7 PRO QB 1 8 ASN H 1.800 . 4.050 3.750 3.152 3.942 . 0 0 "[ . 1 . 2]" 1
29 1 7 PRO QB 1 48 LEU QB 1.800 . 3.700 3.729 3.709 3.755 0.055 5 0 "[ . 1 . 2]" 1
30 1 7 PRO QD 1 8 ASN H 1.800 . 4.680 3.043 2.695 3.247 . 0 0 "[ . 1 . 2]" 1
31 1 7 PRO QD 1 8 ASN HB2 1.800 . 3.960 4.317 4.043 4.462 0.502 19 1 "[ . 1 . +2]" 1
32 1 7 PRO QD 1 8 ASN QB 1.800 . 4.530 3.940 3.782 4.010 . 0 0 "[ . 1 . 2]" 1
33 1 7 PRO QD 1 8 ASN HB3 1.800 . 4.530 4.553 4.541 4.566 0.036 14 0 "[ . 1 . 2]" 1
34 1 7 PRO QG 1 8 ASN H 1.800 . 4.390 3.582 2.928 4.044 . 0 0 "[ . 1 . 2]" 1
35 1 8 ASN H 1 8 ASN QB 1.800 . 3.190 2.276 2.220 2.320 . 0 0 "[ . 1 . 2]" 1
36 1 8 ASN H 1 8 ASN QD 1.800 . 4.600 4.417 4.088 4.604 0.004 16 0 "[ . 1 . 2]" 1
37 1 8 ASN H 1 9 LEU H 1.800 . 4.590 2.321 2.141 2.786 . 0 0 "[ . 1 . 2]" 1
38 1 8 ASN H 1 9 LEU HG 1.800 . 4.060 4.051 3.446 4.825 0.765 13 1 "[ . 1 + . 2]" 1
39 1 8 ASN HA 1 10 HIS H 1.800 . 4.250 4.252 4.061 4.274 0.024 10 0 "[ . 1 . 2]" 1
40 1 8 ASN QB 1 9 LEU QB 1.800 . 4.840 4.493 4.058 4.608 . 0 0 "[ . 1 . 2]" 1
41 1 8 ASN QB 1 9 LEU HG 1.800 . 4.840 3.442 2.948 4.483 . 0 0 "[ . 1 . 2]" 1
42 1 8 ASN HB2 1 9 LEU QD 1.800 . 4.820 4.783 4.528 4.849 0.029 4 0 "[ . 1 . 2]" 1
43 1 8 ASN HB3 1 9 LEU QD 1.800 . 4.650 3.468 3.040 3.672 . 0 0 "[ . 1 . 2]" 1
44 1 9 LEU H 1 9 LEU QB 1.800 . 3.540 2.505 2.328 2.797 . 0 0 "[ . 1 . 2]" 1
45 1 9 LEU H 1 9 LEU QD 1.800 . 4.490 2.958 2.339 3.255 . 0 0 "[ . 1 . 2]" 1
46 1 9 LEU H 1 10 HIS H 1.800 . 4.260 3.780 3.453 3.934 . 0 0 "[ . 1 . 2]" 1
47 1 9 LEU QB 1 10 HIS H 1.800 . 4.230 3.864 3.835 3.902 . 0 0 "[ . 1 . 2]" 1
48 1 9 LEU QD 1 10 HIS H 1.800 . 4.640 4.225 3.890 4.607 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU QD 1 11 TYR H 1.800 . 4.640 4.218 3.969 4.541 . 0 0 "[ . 1 . 2]" 1
50 1 10 HIS H 1 10 HIS QB 1.800 . 3.880 2.418 2.065 2.784 . 0 0 "[ . 1 . 2]" 1
51 1 11 TYR H 1 11 TYR QB 1.800 . 3.610 2.369 2.217 2.507 . 0 0 "[ . 1 . 2]" 1
52 1 11 TYR H 1 11 TYR QD 1.800 . 4.550 2.860 2.157 3.197 . 0 0 "[ . 1 . 2]" 1
53 1 11 TYR H 1 11 TYR QE 1.800 . 4.710 4.586 4.349 4.720 0.010 7 0 "[ . 1 . 2]" 1
54 1 11 TYR H 1 12 TRP H 1.800 . 4.900 2.639 2.393 2.890 . 0 0 "[ . 1 . 2]" 1
55 1 11 TYR H 1 12 TRP QB 1.800 . 4.230 4.604 4.353 4.897 0.667 15 5 "[- * .* 1 * + 2]" 1
56 1 11 TYR H 1 12 TRP HE3 1.800 . 4.850 4.276 3.474 4.909 0.059 15 0 "[ . 1 . 2]" 1
57 1 11 TYR H 1 13 THR H 1.800 . 3.740 3.561 3.399 3.786 0.046 15 0 "[ . 1 . 2]" 1
58 1 11 TYR HA 1 11 TYR QE 1.800 . 4.720 4.464 4.336 4.569 . 0 0 "[ . 1 . 2]" 1
59 1 11 TYR QB 1 12 TRP H 1.800 . 4.130 2.430 2.053 3.044 . 0 0 "[ . 1 . 2]" 1
60 1 12 TRP H 1 12 TRP HE3 1.800 . 3.930 2.797 1.972 3.675 . 0 0 "[ . 1 . 2]" 1
61 1 12 TRP H 1 13 THR H 1.800 . 4.110 2.363 1.950 2.605 . 0 0 "[ . 1 . 2]" 1
62 1 12 TRP HA 1 14 THR H 1.800 . 4.480 4.498 4.463 4.519 0.039 14 0 "[ . 1 . 2]" 1
63 1 12 TRP QB 1 13 THR H 1.800 . 4.330 3.291 3.024 3.751 . 0 0 "[ . 1 . 2]" 1
64 1 13 THR H 1 13 THR MG 1.800 . 3.640 2.567 2.468 2.619 . 0 0 "[ . 1 . 2]" 1
65 1 13 THR HA 1 13 THR MG 1.800 . 4.090 2.645 2.529 2.692 . 0 0 "[ . 1 . 2]" 1
66 1 13 THR HB 1 14 THR H 1.800 . 4.040 3.281 3.088 3.512 . 0 0 "[ . 1 . 2]" 1
67 1 13 THR HB 1 42 MET QB 1.800 . 4.800 4.846 4.814 4.870 0.070 15 0 "[ . 1 . 2]" 1
68 1 13 THR HB 1 44 ASN HA 1.800 . 3.980 4.076 4.056 4.122 0.142 6 0 "[ . 1 . 2]" 1
69 1 13 THR MG 1 16 ASP H 1.800 . 5.010 3.996 3.888 4.135 . 0 0 "[ . 1 . 2]" 1
70 1 13 THR MG 1 44 ASN HA 1.800 . 3.710 3.727 3.512 3.762 0.052 15 0 "[ . 1 . 2]" 1
71 1 14 THR H 1 14 THR HB 1.800 . 3.570 3.145 3.095 3.191 . 0 0 "[ . 1 . 2]" 1
72 1 14 THR H 1 14 THR MG 1.800 . 3.810 3.871 3.854 3.883 0.073 7 0 "[ . 1 . 2]" 1
73 1 14 THR H 1 15 GLN H 1.800 . 4.140 2.587 2.514 2.644 . 0 0 "[ . 1 . 2]" 1
74 1 14 THR H 1 15 GLN QB 1.800 . 4.040 4.244 4.166 4.384 0.344 20 0 "[ . 1 . 2]" 1
75 1 14 THR H 1 16 ASP HA 1.800 . 4.570 4.703 4.675 4.747 0.177 13 0 "[ . 1 . 2]" 1
76 1 14 THR HA 1 14 THR MG 1.800 . 3.800 2.686 2.635 2.729 . 0 0 "[ . 1 . 2]" 1
77 1 14 THR HB 1 15 GLN H 1.800 . 4.200 2.440 2.369 2.532 . 0 0 "[ . 1 . 2]" 1
78 1 14 THR MG 1 15 GLN H 1.800 . 5.030 2.364 2.242 2.481 . 0 0 "[ . 1 . 2]" 1
79 1 14 THR MG 1 17 GLU QB 1.800 . 4.250 4.238 4.222 4.280 0.030 20 0 "[ . 1 . 2]" 1
80 1 14 THR MG 1 17 GLU QG 1.800 . 4.200 3.975 3.304 4.269 0.069 12 0 "[ . 1 . 2]" 1
81 1 14 THR MG 1 42 MET QG 1.800 . 4.220 4.176 4.010 4.252 0.032 6 0 "[ . 1 . 2]" 1
82 1 15 GLN H 1 15 GLN QB 1.800 . 3.880 2.210 2.068 2.543 . 0 0 "[ . 1 . 2]" 1
83 1 15 GLN H 1 15 GLN QG 1.800 . 3.890 3.316 2.315 3.951 0.061 16 0 "[ . 1 . 2]" 1
84 1 15 GLN HA 1 15 GLN QG 1.800 . 3.790 2.272 2.015 2.479 . 0 0 "[ . 1 . 2]" 1
85 1 15 GLN HA 1 16 ASP H 1.800 . 4.440 3.343 3.327 3.375 . 0 0 "[ . 1 . 2]" 1
86 1 15 GLN HA 1 16 ASP HA 1.800 . 4.450 4.561 4.548 4.584 0.134 4 0 "[ . 1 . 2]" 1
87 1 15 GLN QB 1 16 ASP HA 1.800 . 3.430 4.029 3.970 4.137 0.707 16 20 [************-**+****] 1
88 1 15 GLN QE 1 42 MET HA 1.800 . 4.420 4.403 4.169 4.447 0.027 16 0 "[ . 1 . 2]" 1
89 1 16 ASP H 1 16 ASP QB 1.800 . 3.610 2.452 2.176 2.671 . 0 0 "[ . 1 . 2]" 1
90 1 16 ASP H 1 17 GLU QB 1.800 . 4.470 4.134 4.060 4.254 . 0 0 "[ . 1 . 2]" 1
91 1 16 ASP H 1 17 GLU QG 1.800 . 4.000 4.167 3.291 4.408 0.408 16 0 "[ . 1 . 2]" 1
92 1 16 ASP HA 1 18 GLY H 1.800 . 4.910 3.394 3.323 3.568 . 0 0 "[ . 1 . 2]" 1
93 1 16 ASP HA 1 19 ALA H 1.800 . 5.220 3.546 3.366 3.624 . 0 0 "[ . 1 . 2]" 1
94 1 16 ASP HA 1 19 ALA MB 1.800 . 4.840 4.270 3.977 4.460 . 0 0 "[ . 1 . 2]" 1
95 1 16 ASP QB 1 17 GLU H 1.800 . 4.150 3.234 3.056 3.268 . 0 0 "[ . 1 . 2]" 1
96 1 16 ASP QB 1 19 ALA H 1.800 . 4.430 5.233 5.065 5.270 0.840 6 20 [*****+******-*******] 1
97 1 17 GLU H 1 17 GLU QB 1.800 . 2.760 2.293 2.222 2.508 . 0 0 "[ . 1 . 2]" 1
98 1 17 GLU H 1 17 GLU QG 1.800 . 3.740 2.531 1.948 2.721 . 0 0 "[ . 1 . 2]" 1
99 1 17 GLU HA 1 17 GLU QG 1.800 . 3.920 3.293 2.649 3.416 . 0 0 "[ . 1 . 2]" 1
100 1 17 GLU HA 1 18 GLY QA 1.800 . 4.040 4.199 4.191 4.231 0.191 8 0 "[ . 1 . 2]" 1
101 1 17 GLU QB 1 17 GLU QG 1.800 . 3.520 2.044 2.001 2.086 . 0 0 "[ . 1 . 2]" 1
102 1 17 GLU QB 1 18 GLY H 1.800 . 4.570 3.495 2.693 3.606 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLU QB 1 19 ALA H 1.800 . 5.120 5.032 3.954 5.168 0.048 16 0 "[ . 1 . 2]" 1
104 1 17 GLU QG 1 18 GLY H 1.800 . 4.180 2.399 2.047 4.057 . 0 0 "[ . 1 . 2]" 1
105 1 17 GLU QG 1 19 ALA MB 1.800 . 4.440 3.417 3.129 4.561 0.121 20 0 "[ . 1 . 2]" 1
106 1 18 GLY H 1 19 ALA H 1.800 . 4.840 1.913 1.759 1.951 0.041 20 0 "[ . 1 . 2]" 1
107 1 18 GLY H 1 19 ALA MB 1.800 . 4.400 3.315 3.114 3.415 . 0 0 "[ . 1 . 2]" 1
108 1 18 GLY H 1 20 ALA H 1.800 . 4.220 4.144 3.468 4.265 0.045 14 0 "[ . 1 . 2]" 1
109 1 18 GLY H 1 21 ILE QG 1.800 . 4.960 3.412 3.061 4.655 . 0 0 "[ . 1 . 2]" 1
110 1 18 GLY QA 1 19 ALA H 1.800 . 3.620 2.709 2.695 2.724 . 0 0 "[ . 1 . 2]" 1
111 1 18 GLY QA 1 19 ALA MB 1.800 . 3.380 4.149 4.027 4.189 0.809 14 20 [************-+******] 1
112 1 19 ALA H 1 19 ALA MB 1.800 . 3.140 2.310 2.201 2.521 . 0 0 "[ . 1 . 2]" 1
113 1 19 ALA H 1 21 ILE MD 1.800 . 4.450 4.478 4.124 5.071 0.621 13 2 "[ .- 1 + . 2]" 1
114 1 19 ALA H 1 21 ILE QG 1.800 . 4.840 2.921 2.629 3.644 . 0 0 "[ . 1 . 2]" 1
115 1 19 ALA HA 1 21 ILE QG 1.800 . 5.050 4.516 4.465 4.550 . 0 0 "[ . 1 . 2]" 1
116 1 20 ALA H 1 20 ALA MB 1.800 . 2.950 2.551 2.477 2.625 . 0 0 "[ . 1 . 2]" 1
117 1 20 ALA H 1 21 ILE HA 1.800 . 4.740 4.307 4.267 4.329 . 0 0 "[ . 1 . 2]" 1
118 1 20 ALA H 1 21 ILE MD 1.800 . 4.270 4.730 4.455 4.772 0.502 6 1 "[ .+ 1 . 2]" 1
119 1 20 ALA H 1 21 ILE QG 1.800 . 3.500 3.407 3.238 3.715 0.215 13 0 "[ . 1 . 2]" 1
120 1 20 ALA HA 1 21 ILE H 1.800 . 4.580 2.753 2.545 2.882 . 0 0 "[ . 1 . 2]" 1
121 1 20 ALA HA 1 21 ILE MG 1.800 . 4.770 4.457 4.445 4.482 . 0 0 "[ . 1 . 2]" 1
122 1 20 ALA HA 1 22 GLY H 1.800 . 4.840 3.203 3.149 3.623 . 0 0 "[ . 1 . 2]" 1
123 1 20 ALA MB 1 21 ILE H 1.800 . 4.340 3.642 3.603 3.699 . 0 0 "[ . 1 . 2]" 1
124 1 20 ALA MB 1 21 ILE HA 1.800 . 3.720 4.159 4.118 4.192 0.472 17 0 "[ . 1 . 2]" 1
125 1 20 ALA MB 1 22 GLY H 1.800 . 4.760 4.333 4.261 4.740 . 0 0 "[ . 1 . 2]" 1
126 1 21 ILE H 1 21 ILE HB 1.800 . 3.210 3.624 3.613 3.650 0.440 6 0 "[ . 1 . 2]" 1
127 1 21 ILE H 1 21 ILE MD 1.800 . 3.350 2.706 2.319 3.102 . 0 0 "[ . 1 . 2]" 1
128 1 21 ILE H 1 21 ILE HG12 1.800 . 3.370 3.425 3.374 3.487 0.117 13 0 "[ . 1 . 2]" 1
129 1 21 ILE H 1 21 ILE HG13 1.800 . 4.130 1.816 1.772 1.916 0.028 15 0 "[ . 1 . 2]" 1
130 1 21 ILE HA 1 21 ILE MD 1.800 . 4.030 3.531 3.495 3.570 . 0 0 "[ . 1 . 2]" 1
131 1 21 ILE HA 1 21 ILE MG 1.800 . 4.130 2.290 2.251 2.356 . 0 0 "[ . 1 . 2]" 1
132 1 21 ILE HA 1 25 TRP H 1.800 . 4.100 4.235 3.703 4.710 0.610 13 1 "[ . 1 + . 2]" 1
133 1 21 ILE HB 1 21 ILE MD 1.800 . 3.750 2.339 2.236 2.430 . 0 0 "[ . 1 . 2]" 1
134 1 21 ILE HB 1 22 GLY H 1.800 . 4.790 4.213 3.983 4.279 . 0 0 "[ . 1 . 2]" 1
135 1 21 ILE MD 1 22 GLY H 1.800 . 4.780 2.420 1.879 2.621 . 0 0 "[ . 1 . 2]" 1
136 1 21 ILE MD 1 22 GLY QA 1.800 . 4.230 2.477 2.279 2.674 . 0 0 "[ . 1 . 2]" 1
137 1 21 ILE MD 1 25 TRP HA 1.800 . 4.790 3.856 3.252 4.127 . 0 0 "[ . 1 . 2]" 1
138 1 21 ILE QG 1 21 ILE MG 1.800 . 3.690 2.065 2.029 2.088 . 0 0 "[ . 1 . 2]" 1
139 1 22 GLY QA 1 23 LEU H 1.800 . 3.160 2.897 2.126 2.963 . 0 0 "[ . 1 . 2]" 1
140 1 23 LEU H 1 23 LEU QB 1.800 . 4.640 2.820 2.222 3.070 . 0 0 "[ . 1 . 2]" 1
141 1 23 LEU H 1 23 LEU QD 1.800 . 3.780 2.305 1.662 3.660 0.138 16 0 "[ . 1 . 2]" 1
142 1 23 LEU H 1 38 ALA HA 1.800 . 4.040 4.102 4.041 4.129 0.089 3 0 "[ . 1 . 2]" 1
143 1 23 LEU QD 1 24 ALA MB 1.800 . 3.330 2.549 1.917 3.046 . 0 0 "[ . 1 . 2]" 1
144 1 23 LEU QD 1 38 ALA H 1.800 . 4.460 4.132 3.841 4.350 . 0 0 "[ . 1 . 2]" 1
145 1 23 LEU QD 1 38 ALA MB 1.800 . 3.570 3.003 2.428 3.460 . 0 0 "[ . 1 . 2]" 1
146 1 23 LEU QD 1 39 GLU H 1.800 . 4.880 4.556 4.188 4.952 0.072 13 0 "[ . 1 . 2]" 1
147 1 24 ALA HA 1 26 ILE MD 1.800 . 4.680 4.642 4.437 4.703 0.023 20 0 "[ . 1 . 2]" 1
148 1 24 ALA MB 1 25 TRP H 1.800 . 4.300 3.316 3.267 3.345 . 0 0 "[ . 1 . 2]" 1
149 1 24 ALA MB 1 25 TRP HA 1.800 . 4.010 3.897 3.863 3.928 . 0 0 "[ . 1 . 2]" 1
150 1 24 ALA MB 1 25 TRP QB 1.800 . 4.270 4.426 4.373 4.511 0.241 4 0 "[ . 1 . 2]" 1
151 1 25 TRP H 1 26 ILE H 1.800 . 4.770 3.056 2.785 3.223 . 0 0 "[ . 1 . 2]" 1
152 1 25 TRP H 1 26 ILE MG 1.800 . 4.160 4.198 3.978 4.552 0.392 4 0 "[ . 1 . 2]" 1
153 1 25 TRP HA 1 26 ILE MG 1.800 . 4.210 4.180 4.141 4.219 0.009 9 0 "[ . 1 . 2]" 1
154 1 25 TRP HA 1 27 PRO QD 1.800 . 3.530 3.542 3.462 3.576 0.046 7 0 "[ . 1 . 2]" 1
155 1 25 TRP HA 1 34 GLU QG 1.800 . 4.130 1.950 1.764 3.782 0.036 16 0 "[ . 1 . 2]" 1
156 1 25 TRP QB 1 26 ILE H 1.800 . 4.150 3.694 3.184 4.052 . 0 0 "[ . 1 . 2]" 1
157 1 25 TRP HB2 1 26 ILE H 1.800 . 5.190 4.435 4.056 4.590 . 0 0 "[ . 1 . 2]" 1
158 1 25 TRP HB3 1 26 ILE H 1.800 . 4.770 3.986 3.295 4.576 . 0 0 "[ . 1 . 2]" 1
159 1 26 ILE H 1 26 ILE MD 1.800 . 4.080 3.859 3.566 4.063 . 0 0 "[ . 1 . 2]" 1
160 1 26 ILE H 1 26 ILE QG 1.800 . 4.040 2.244 1.964 2.387 . 0 0 "[ . 1 . 2]" 1
161 1 26 ILE H 1 26 ILE MG 1.800 . 3.410 3.185 2.930 3.304 . 0 0 "[ . 1 . 2]" 1
162 1 26 ILE HA 1 26 ILE MD 1.800 . 4.520 3.906 3.848 4.023 . 0 0 "[ . 1 . 2]" 1
163 1 26 ILE HA 1 26 ILE MG 1.800 . 4.290 2.298 2.255 2.355 . 0 0 "[ . 1 . 2]" 1
164 1 26 ILE HA 1 34 GLU QG 1.800 . 4.120 4.173 4.148 4.190 0.070 16 0 "[ . 1 . 2]" 1
165 1 26 ILE MD 1 26 ILE MG 1.800 . 3.530 2.873 2.646 2.998 . 0 0 "[ . 1 . 2]" 1
166 1 26 ILE MD 1 28 TYR HA 1.800 . 4.290 4.236 3.989 4.309 0.019 1 0 "[ . 1 . 2]" 1
167 1 27 PRO HA 1 34 GLU H 1.800 . 4.740 4.403 4.090 4.736 . 0 0 "[ . 1 . 2]" 1
168 1 27 PRO QD 1 34 GLU H 1.800 . 4.710 3.008 2.799 3.594 . 0 0 "[ . 1 . 2]" 1
169 1 27 PRO QD 1 34 GLU HA 1.800 . 4.000 3.891 3.677 4.018 0.018 2 0 "[ . 1 . 2]" 1
170 1 29 PHE HA 1 29 PHE QD 1.800 . 4.750 2.781 2.292 3.019 . 0 0 "[ . 1 . 2]" 1
171 1 31 PRO HA 1 33 ALA H 1.800 . 4.780 4.783 4.331 4.850 0.070 5 0 "[ . 1 . 2]" 1
172 1 31 PRO QB 1 32 ALA MB 1.800 . 4.300 3.404 3.132 3.567 . 0 0 "[ . 1 . 2]" 1
173 1 31 PRO QD 1 32 ALA H 1.800 . 4.660 4.636 3.400 4.760 0.100 5 0 "[ . 1 . 2]" 1
174 1 31 PRO QD 1 36 ILE MD 1.800 . 4.700 3.939 3.235 4.529 . 0 0 "[ . 1 . 2]" 1
175 1 31 PRO QG 1 32 ALA H 1.800 . 3.840 3.671 1.835 4.203 0.363 16 0 "[ . 1 . 2]" 1
176 1 31 PRO QG 1 33 ALA HA 1.800 . 4.560 4.066 3.755 4.588 0.028 18 0 "[ . 1 . 2]" 1
177 1 32 ALA H 1 32 ALA MB 1.800 . 3.460 2.233 2.206 2.350 . 0 0 "[ . 1 . 2]" 1
178 1 32 ALA H 1 33 ALA H 1.800 . 3.820 2.710 2.505 2.993 . 0 0 "[ . 1 . 2]" 1
179 1 32 ALA MB 1 34 GLU QG 1.800 . 4.410 4.421 3.839 4.467 0.057 8 0 "[ . 1 . 2]" 1
180 1 33 ALA H 1 33 ALA MB 1.800 . 3.430 2.891 2.100 2.946 . 0 0 "[ . 1 . 2]" 1
181 1 33 ALA HA 1 36 ILE MD 1.800 . 4.310 1.800 1.735 1.835 0.065 9 0 "[ . 1 . 2]" 1
182 1 33 ALA HA 1 37 TYR H 1.800 . 3.680 2.351 2.261 2.586 . 0 0 "[ . 1 . 2]" 1
183 1 33 ALA MB 1 34 GLU H 1.800 . 4.010 2.213 2.033 2.465 . 0 0 "[ . 1 . 2]" 1
184 1 33 ALA MB 1 34 GLU QB 1.800 . 3.800 3.929 3.908 3.942 0.142 5 0 "[ . 1 . 2]" 1
185 1 33 ALA MB 1 37 TYR H 1.800 . 3.530 3.604 3.572 3.643 0.113 16 0 "[ . 1 . 2]" 1
186 1 34 GLU H 1 34 GLU QG 1.800 . 3.610 2.767 1.853 3.063 . 0 0 "[ . 1 . 2]" 1
187 1 34 GLU H 1 36 ILE MD 1.800 . 4.340 4.371 3.878 4.445 0.105 5 0 "[ . 1 . 2]" 1
188 1 34 GLU QB 1 35 GLY H 1.800 . 3.760 2.968 2.873 3.784 0.024 4 0 "[ . 1 . 2]" 1
189 1 34 GLU QG 1 35 GLY H 1.800 . 4.650 4.449 2.941 4.633 . 0 0 "[ . 1 . 2]" 1
190 1 36 ILE H 1 36 ILE HB 1.800 . 3.660 3.626 3.586 3.661 0.001 6 0 "[ . 1 . 2]" 1
191 1 36 ILE H 1 36 ILE MD 1.800 . 4.360 3.122 1.809 3.567 . 0 0 "[ . 1 . 2]" 1
192 1 36 ILE H 1 36 ILE HG12 1.800 . 3.870 3.173 2.670 3.410 . 0 0 "[ . 1 . 2]" 1
193 1 36 ILE H 1 36 ILE QG 1.800 . 3.990 1.872 1.673 3.187 0.127 4 0 "[ . 1 . 2]" 1
194 1 36 ILE H 1 36 ILE HG13 1.800 . 4.360 1.945 1.678 3.839 0.122 4 0 "[ . 1 . 2]" 1
195 1 36 ILE H 1 37 TYR H 1.800 . 4.640 2.475 2.251 2.660 . 0 0 "[ . 1 . 2]" 1
196 1 36 ILE H 1 37 TYR QB 1.800 . 3.560 4.349 4.081 4.554 0.994 1 20 [+*******-***********] 1
197 1 36 ILE H 1 39 GLU QB 1.800 . 4.920 4.973 4.952 5.005 0.085 4 0 "[ . 1 . 2]" 1
198 1 36 ILE HA 1 39 GLU QB 1.800 . 4.780 4.179 3.493 4.522 . 0 0 "[ . 1 . 2]" 1
199 1 36 ILE HB 1 37 TYR H 1.800 . 3.960 3.926 3.786 4.150 0.190 16 0 "[ . 1 . 2]" 1
200 1 36 ILE MD 1 37 TYR H 1.800 . 3.780 2.511 2.087 3.185 . 0 0 "[ . 1 . 2]" 1
201 1 36 ILE MD 1 37 TYR HA 1.800 . 4.050 3.275 3.027 4.215 0.165 16 0 "[ . 1 . 2]" 1
202 1 36 ILE QG 1 37 TYR H 1.800 . 4.070 2.655 2.251 3.072 . 0 0 "[ . 1 . 2]" 1
203 1 36 ILE QG 1 37 TYR QB 1.800 . 4.750 3.564 3.287 3.963 . 0 0 "[ . 1 . 2]" 1
204 1 36 ILE HG12 1 37 TYR H 1.800 . 4.200 4.089 2.772 4.489 0.289 4 0 "[ . 1 . 2]" 1
205 1 36 ILE HG13 1 37 TYR H 1.800 . 4.640 2.830 2.264 4.232 . 0 0 "[ . 1 . 2]" 1
206 1 37 TYR H 1 38 ALA MB 1.800 . 3.450 3.507 3.480 3.568 0.118 17 0 "[ . 1 . 2]" 1
207 1 37 TYR H 1 39 GLU H 1.800 . 3.520 3.565 3.523 3.610 0.090 16 0 "[ . 1 . 2]" 1
208 1 37 TYR HA 1 37 TYR QD 1.800 . 3.670 2.689 1.989 3.069 . 0 0 "[ . 1 . 2]" 1
209 1 38 ALA H 1 39 GLU QB 1.800 . 4.010 4.053 4.028 4.079 0.069 9 0 "[ . 1 . 2]" 1
210 1 38 ALA MB 1 39 GLU H 1.800 . 3.730 2.806 2.675 3.080 . 0 0 "[ . 1 . 2]" 1
211 1 39 GLU H 1 39 GLU QG 1.800 . 4.230 3.994 3.955 4.031 . 0 0 "[ . 1 . 2]" 1
212 1 39 GLU HA 1 39 GLU QG 1.800 . 3.600 2.960 2.766 3.108 . 0 0 "[ . 1 . 2]" 1
213 1 39 GLU QB 1 40 GLY H 1.800 . 4.670 2.732 2.666 2.771 . 0 0 "[ . 1 . 2]" 1
214 1 39 GLU QG 1 40 GLY H 1.800 . 3.870 3.607 3.506 3.708 . 0 0 "[ . 1 . 2]" 1
215 1 39 GLU QG 1 41 LEU HA 1.800 . 4.130 4.232 4.195 4.271 0.141 4 0 "[ . 1 . 2]" 1
216 1 39 GLU QG 1 42 MET HA 1.800 . 3.740 3.735 3.627 3.828 0.088 13 0 "[ . 1 . 2]" 1
217 1 40 GLY H 1 41 LEU QB 1.800 . 4.850 4.850 4.818 4.892 0.042 6 0 "[ . 1 . 2]" 1
218 1 40 GLY H 1 41 LEU QD 1.800 . 4.800 4.874 4.842 4.899 0.099 4 0 "[ . 1 . 2]" 1
219 1 41 LEU H 1 41 LEU QD 1.800 . 3.390 3.388 3.257 3.697 0.307 13 0 "[ . 1 . 2]" 1
220 1 41 LEU H 1 44 ASN H 1.800 . 4.730 4.757 4.738 4.775 0.045 13 0 "[ . 1 . 2]" 1
221 1 41 LEU HA 1 41 LEU QD 1.800 . 5.090 3.346 3.272 3.372 . 0 0 "[ . 1 . 2]" 1
222 1 41 LEU QB 1 42 MET H 1.800 . 4.570 2.959 2.899 3.307 . 0 0 "[ . 1 . 2]" 1
223 1 41 LEU QD 1 42 MET H 1.800 . 4.300 1.998 1.824 2.891 . 0 0 "[ . 1 . 2]" 1
224 1 41 LEU HG 1 43 HIS H 1.800 . 4.990 4.391 4.201 4.498 . 0 0 "[ . 1 . 2]" 1
225 1 42 MET H 1 42 MET QG 1.800 . 4.340 3.713 3.334 3.933 . 0 0 "[ . 1 . 2]" 1
226 1 42 MET H 1 44 ASN H 1.800 . 3.240 4.572 4.473 4.598 1.358 11 20 [**********+*-*******] 1
227 1 42 MET HA 1 44 ASN H 1.800 . 3.960 3.038 3.019 3.060 . 0 0 "[ . 1 . 2]" 1
228 1 42 MET HA 1 44 ASN QB 1.800 . 5.110 4.023 4.006 4.055 . 0 0 "[ . 1 . 2]" 1
229 1 42 MET HA 1 45 GLN QG 1.800 . 3.790 2.293 1.996 2.726 . 0 0 "[ . 1 . 2]" 1
230 1 42 MET QB 1 43 HIS H 1.800 . 4.390 3.583 3.570 3.599 . 0 0 "[ . 1 . 2]" 1
231 1 42 MET QB 1 44 ASN H 1.800 . 4.590 4.318 4.282 4.375 . 0 0 "[ . 1 . 2]" 1
232 1 43 HIS HA 1 45 GLN QG 1.800 . 4.310 4.347 4.264 4.434 0.124 11 0 "[ . 1 . 2]" 1
233 1 43 HIS QB 1 44 ASN H 1.800 . 4.660 3.621 3.243 3.781 . 0 0 "[ . 1 . 2]" 1
234 1 44 ASN H 1 45 GLN QG 1.800 . 4.070 3.408 2.972 3.800 . 0 0 "[ . 1 . 2]" 1
235 1 44 ASN HA 1 45 GLN H 1.800 . 3.450 3.477 3.326 3.528 0.078 8 0 "[ . 1 . 2]" 1
236 1 44 ASN QB 1 45 GLN H 1.800 . 3.990 2.837 2.337 3.278 . 0 0 "[ . 1 . 2]" 1
237 1 45 GLN H 1 45 GLN QB 1.800 . 3.790 2.645 2.481 2.879 . 0 0 "[ . 1 . 2]" 1
238 1 45 GLN H 1 45 GLN QG 1.800 . 3.880 2.053 1.708 2.385 0.092 10 0 "[ . 1 . 2]" 1
239 1 45 GLN H 1 46 ASP H 1.800 . 3.820 3.803 3.543 3.918 0.098 8 0 "[ . 1 . 2]" 1
240 1 45 GLN H 1 48 LEU QD 1.800 . 4.960 4.926 4.773 4.978 0.018 6 0 "[ . 1 . 2]" 1
241 1 45 GLN H 1 49 ILE QG 1.800 . 4.320 4.399 4.133 4.449 0.129 13 0 "[ . 1 . 2]" 1
242 1 45 GLN HA 1 45 GLN QG 1.800 . 3.990 3.301 2.953 3.380 . 0 0 "[ . 1 . 2]" 1
243 1 45 GLN HA 1 47 GLY H 1.800 . 4.460 3.170 3.105 3.224 . 0 0 "[ . 1 . 2]" 1
244 1 45 GLN QG 1 46 ASP H 1.800 . 4.740 4.393 4.204 4.806 0.066 9 0 "[ . 1 . 2]" 1
245 1 45 GLN QG 1 49 ILE MG 1.800 . 4.400 4.250 3.647 4.361 . 0 0 "[ . 1 . 2]" 1
246 1 46 ASP H 1 46 ASP QB 1.800 . 3.680 2.678 2.425 2.802 . 0 0 "[ . 1 . 2]" 1
247 1 46 ASP HA 1 47 GLY QA 1.800 . 4.240 4.066 4.060 4.077 . 0 0 "[ . 1 . 2]" 1
248 1 46 ASP HA 1 48 LEU H 1.800 . 5.000 4.623 4.520 4.668 . 0 0 "[ . 1 . 2]" 1
249 1 46 ASP QB 1 47 GLY H 1.800 . 4.460 3.915 3.684 4.012 . 0 0 "[ . 1 . 2]" 1
250 1 47 GLY QA 1 48 LEU HG 1.800 . 4.290 4.005 3.733 4.222 . 0 0 "[ . 1 . 2]" 1
251 1 48 LEU H 1 48 LEU QB 1.800 . 4.420 2.655 2.594 2.741 . 0 0 "[ . 1 . 2]" 1
252 1 48 LEU H 1 48 LEU QD 1.800 . 3.720 2.349 1.908 2.907 . 0 0 "[ . 1 . 2]" 1
253 1 48 LEU H 1 48 LEU HG 1.800 . 3.940 2.019 1.883 2.312 . 0 0 "[ . 1 . 2]" 1
254 1 48 LEU HA 1 49 ILE MD 1.800 . 4.200 4.221 4.207 4.230 0.030 18 0 "[ . 1 . 2]" 1
255 1 48 LEU QB 1 49 ILE HA 1.800 . 3.970 3.773 3.684 3.877 . 0 0 "[ . 1 . 2]" 1
256 1 48 LEU QB 1 49 ILE HB 1.800 . 4.720 4.068 4.033 4.103 . 0 0 "[ . 1 . 2]" 1
257 1 48 LEU QB 1 50 CYS H 1.800 . 5.120 4.470 4.146 4.608 . 0 0 "[ . 1 . 2]" 1
258 1 49 ILE H 1 49 ILE HB 1.800 . 3.670 2.387 2.332 2.428 . 0 0 "[ . 1 . 2]" 1
259 1 49 ILE H 1 49 ILE MD 1.800 . 4.440 2.699 2.476 2.991 . 0 0 "[ . 1 . 2]" 1
260 1 49 ILE H 1 49 ILE HG12 1.800 . 4.010 2.476 2.361 2.668 . 0 0 "[ . 1 . 2]" 1
261 1 49 ILE H 1 49 ILE QG 1.800 . 3.900 2.448 2.338 2.630 . 0 0 "[ . 1 . 2]" 1
262 1 49 ILE H 1 49 ILE HG13 1.800 . 4.060 3.859 3.766 3.985 . 0 0 "[ . 1 . 2]" 1
263 1 49 ILE H 1 49 ILE MG 1.800 . 3.720 3.722 3.706 3.744 0.024 15 0 "[ . 1 . 2]" 1
264 1 49 ILE H 1 50 CYS H 1.800 . 4.160 3.553 2.557 3.772 . 0 0 "[ . 1 . 2]" 1
265 1 49 ILE H 1 50 CYS HA 1.800 . 4.310 4.981 4.755 5.079 0.769 12 18 "[**- *******+**.*****]" 1
266 1 49 ILE HA 1 49 ILE MD 1.800 . 4.440 1.942 1.866 1.987 . 0 0 "[ . 1 . 2]" 1
267 1 49 ILE HB 1 50 CYS H 1.800 . 5.040 4.334 3.531 4.406 . 0 0 "[ . 1 . 2]" 1
268 1 49 ILE MD 1 50 CYS H 1.800 . 4.330 3.921 3.781 4.169 . 0 0 "[ . 1 . 2]" 1
269 1 49 ILE MD 1 51 GLY H 1.800 . 4.290 4.302 4.269 4.389 0.099 19 0 "[ . 1 . 2]" 1
270 1 50 CYS QB 1 51 GLY QA 1.800 . 4.310 3.895 3.686 4.335 0.025 13 0 "[ . 1 . 2]" 1
271 1 51 GLY H 1 52 LEU H 1.800 . 3.840 2.813 2.645 2.904 . 0 0 "[ . 1 . 2]" 1
272 1 51 GLY H 1 52 LEU QD 1.800 . 4.770 4.338 3.870 4.603 . 0 0 "[ . 1 . 2]" 1
273 1 51 GLY H 1 52 LEU HG 1.800 . 4.410 4.190 3.878 4.426 0.016 6 0 "[ . 1 . 2]" 1
274 1 51 GLY H 1 53 ARG QD 1.800 . 4.730 4.143 3.862 4.539 . 0 0 "[ . 1 . 2]" 1
275 1 51 GLY QA 1 52 LEU HG 1.800 . 5.050 4.356 4.147 4.448 . 0 0 "[ . 1 . 2]" 1
276 1 51 GLY QA 1 53 ARG QD 1.800 . 4.680 2.188 1.888 2.662 . 0 0 "[ . 1 . 2]" 1
277 1 52 LEU H 1 52 LEU QB 1.800 . 3.410 2.601 2.516 2.724 . 0 0 "[ . 1 . 2]" 1
278 1 52 LEU H 1 52 LEU QD 1.800 . 4.030 2.820 2.362 2.962 . 0 0 "[ . 1 . 2]" 1
279 1 52 LEU H 1 52 LEU HG 1.800 . 4.150 1.935 1.748 2.109 0.052 20 0 "[ . 1 . 2]" 1
280 1 52 LEU HA 1 52 LEU QD 1.800 . 4.180 3.396 3.338 3.441 . 0 0 "[ . 1 . 2]" 1
281 1 52 LEU HA 1 52 LEU HG 1.800 . 3.470 3.624 3.552 3.674 0.204 7 0 "[ . 1 . 2]" 1
282 1 52 LEU HA 1 53 ARG H 1.800 . 3.670 3.388 2.987 3.561 . 0 0 "[ . 1 . 2]" 1
283 1 52 LEU HA 1 53 ARG QD 1.800 . 4.370 4.165 3.921 4.259 . 0 0 "[ . 1 . 2]" 1
284 1 52 LEU QD 1 53 ARG H 1.800 . 3.510 2.421 1.862 3.434 . 0 0 "[ . 1 . 2]" 1
285 1 52 LEU QD 1 53 ARG QB 1.800 . 4.370 3.850 3.053 4.403 0.033 10 0 "[ . 1 . 2]" 1
286 1 52 LEU QD 1 53 ARG QD 1.800 . 4.220 3.680 3.488 3.715 . 0 0 "[ . 1 . 2]" 1
287 1 52 LEU HG 1 53 ARG QD 1.800 . 4.090 3.874 3.195 4.148 0.058 15 0 "[ . 1 . 2]" 1
288 1 53 ARG H 1 53 ARG QG 1.800 . 3.640 3.062 1.984 3.628 . 0 0 "[ . 1 . 2]" 1
289 1 53 ARG QB 1 54 GLN H 1.800 . 4.080 2.034 1.756 2.376 0.044 11 0 "[ . 1 . 2]" 1
290 1 53 ARG QB 1 54 GLN HA 1.800 . 3.250 3.975 3.785 4.170 0.920 11 20 [**-*******+*********] 1
291 1 53 ARG QB 1 54 GLN QG 1.800 . 4.380 2.818 2.363 3.274 . 0 0 "[ . 1 . 2]" 1
292 1 53 ARG QD 1 54 GLN HE21 1.800 . 4.530 3.965 2.725 4.565 0.035 6 0 "[ . 1 . 2]" 1
293 1 53 ARG QD 1 54 GLN HE22 1.800 . 4.190 4.244 3.306 4.561 0.371 9 0 "[ . 1 . 2]" 1
294 1 53 ARG QG 1 54 GLN H 1.800 . 4.530 3.528 2.470 4.166 . 0 0 "[ . 1 . 2]" 1
295 1 54 GLN H 1 54 GLN QG 1.800 . 3.660 2.589 1.979 3.330 . 0 0 "[ . 1 . 2]" 1
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