NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634714 |
6bzk   |
30390 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6bzk
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 281
_Distance_constraint_stats_list.Viol_count 366
_Distance_constraint_stats_list.Viol_total 765.063
_Distance_constraint_stats_list.Viol_max 0.865
_Distance_constraint_stats_list.Viol_rms 0.1184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0272
_Distance_constraint_stats_list.Viol_average_violations_only 0.2090
_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 3 LYS 0.645 0.475 5 0 "[ . 1]"
1 4 THR 4.741 0.653 1 4 "[+-**. 1]"
1 5 ILE 4.104 0.865 3 4 "[*-+*. 1]"
1 6 GLN 2.803 0.865 3 1 "[ + . 1]"
1 7 GLU 1.222 0.167 9 0 "[ . 1]"
1 8 LYS 0.560 0.113 2 0 "[ . 1]"
1 9 GLU 1.693 0.166 8 0 "[ . 1]"
1 10 GLN 0.148 0.148 2 0 "[ . 1]"
1 11 GLU 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 4.640 0.845 6 5 "[* * -+ *1]"
1 13 LYS 12.426 0.845 6 10 [*****+****]
1 14 ASN 8.050 0.840 2 10 [*+***-****]
1 15 LEU 0.587 0.158 5 0 "[ . 1]"
1 16 LYS 5.336 0.839 8 6 "[* *-.* + *]"
1 17 ASP 4.674 0.839 8 6 "[* *-.* + *]"
1 18 ASN 0.091 0.045 7 0 "[ . 1]"
1 19 VAL 0.977 0.136 9 0 "[ . 1]"
1 20 GLU 0.647 0.152 7 0 "[ . 1]"
1 21 LEU 0.983 0.129 5 0 "[ . 1]"
1 22 GLU 0.004 0.004 4 0 "[ . 1]"
1 23 ARG 0.060 0.025 6 0 "[ . 1]"
1 24 LEU 0.086 0.025 6 0 "[ . 1]"
1 25 LYS 6.509 0.836 7 8 "[**-*.*+ **]"
1 26 ASN 6.483 0.836 7 8 "[**-*.*+ **]"
1 27 GLU 0.000 0.000 . 0 "[ . 1]"
1 28 ARG 4.030 0.834 3 5 "[* +*.- *]"
1 29 HIS 9.607 0.845 9 8 "[****.- *+*]"
1 30 ASP 5.741 0.845 9 7 "[** *.- *+*]"
1 31 HIS 4.328 0.865 9 5 "[*-* . +*]"
1 32 ASP 7.228 0.865 9 6 "[*-* * +*]"
1 33 GLU 3.703 0.854 3 3 "[ *+ - 1]"
1 34 GLU 0.645 0.154 4 0 "[ . 1]"
1 35 ALA 0.172 0.091 3 0 "[ . 1]"
1 36 GLU 0.597 0.160 8 0 "[ . 1]"
1 37 ARG 0.501 0.146 5 0 "[ . 1]"
1 38 LYS 0.054 0.028 10 0 "[ . 1]"
1 39 ALA 0.026 0.009 8 0 "[ . 1]"
1 40 LEU 0.402 0.129 2 0 "[ . 1]"
1 41 GLU 0.620 0.165 9 0 "[ . 1]"
1 42 ASP 0.011 0.004 7 0 "[ . 1]"
1 43 LYS 0.894 0.157 9 0 "[ . 1]"
1 44 LEU 0.679 0.129 8 0 "[ . 1]"
1 45 ALA 0.022 0.007 9 0 "[ . 1]"
1 46 ASP 1.123 0.480 2 0 "[ . 1]"
1 47 LYS 1.178 0.480 2 0 "[ . 1]"
1 48 GLN 3.199 0.842 2 3 "[-+ *. 1]"
1 49 GLU 3.920 0.842 2 3 "[-+ *. 1]"
1 50 HIS 4.529 0.807 3 4 "[ *+*- 1]"
1 51 LEU 6.671 0.845 1 5 "[+***- 1]"
1 52 ASP 3.475 0.845 1 2 "[+ - 1]"
1 53 GLY 2.824 0.496 8 0 "[ . 1]"
1 54 ALA 1.713 0.243 2 0 "[ . 1]"
1 55 LEU 0.121 0.041 3 0 "[ . 1]"
1 56 ARG 0.559 0.174 5 0 "[ . 1]"
1 57 TYR 0.522 0.174 5 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 3 LYS HA 1 4 THR H 3.500 3.000 4.000 3.353 2.525 3.553 0.475 5 0 "[ . 1]" 1
2 1 3 LYS QB 1 4 THR H 3.500 2.500 4.500 2.840 2.459 3.855 0.041 5 0 "[ . 1]" 1
3 1 3 LYS QG 1 4 THR H 4.500 2.500 5.000 3.871 2.499 4.473 0.001 8 0 "[ . 1]" 1
4 1 4 THR H 1 4 THR HA 2.500 . 3.000 2.898 2.812 2.962 . 0 0 "[ . 1]" 1
5 1 4 THR H 1 4 THR HB 2.500 . 3.500 3.407 2.502 3.757 0.257 3 0 "[ . 1]" 1
6 1 4 THR H 1 4 THR MG 3.500 2.500 4.500 2.731 2.379 3.745 0.121 2 0 "[ . 1]" 1
7 1 4 THR HA 1 5 ILE H 3.500 3.000 4.000 2.962 2.347 3.561 0.653 1 4 "[+-**. 1]" 1
8 1 4 THR HB 1 5 ILE H 3.500 2.500 4.500 3.247 2.487 4.347 0.013 2 0 "[ . 1]" 1
9 1 4 THR MG 1 5 ILE H 4.500 2.500 5.000 3.845 3.362 4.240 . 0 0 "[ . 1]" 1
10 1 5 ILE H 1 5 ILE HB 2.500 . 3.500 2.725 2.275 3.642 0.142 2 0 "[ . 1]" 1
11 1 5 ILE HA 1 6 GLN H 3.500 3.000 4.000 3.338 2.135 3.573 0.865 3 1 "[ + . 1]" 1
12 1 5 ILE HA 1 7 GLU H 4.400 2.400 5.000 4.159 3.764 4.438 . 0 0 "[ . 1]" 1
13 1 5 ILE HA 1 9 GLU H 4.200 2.200 5.000 4.762 4.321 5.100 0.100 3 0 "[ . 1]" 1
14 1 5 ILE MG 1 6 GLN H 4.500 2.500 5.000 3.234 2.366 4.216 0.134 9 0 "[ . 1]" 1
15 1 6 GLN H 1 6 GLN QB 2.500 . 3.000 2.603 2.255 3.189 0.189 1 0 "[ . 1]" 1
16 1 6 GLN H 1 6 GLN QG 3.500 2.500 4.500 2.718 2.346 3.953 0.154 6 0 "[ . 1]" 1
17 1 6 GLN HA 1 7 GLU H 3.500 3.000 4.000 3.277 2.858 3.545 0.142 7 0 "[ . 1]" 1
18 1 6 GLN QB 1 7 GLU H 3.500 2.500 4.500 3.100 2.546 3.864 . 0 0 "[ . 1]" 1
19 1 6 GLN QG 1 7 GLU H 4.500 2.500 5.000 4.294 3.644 4.817 . 0 0 "[ . 1]" 1
20 1 7 GLU H 1 7 GLU QB 2.500 . 3.500 2.735 2.255 3.405 . 0 0 "[ . 1]" 1
21 1 7 GLU H 1 7 GLU QG 3.500 2.500 4.500 2.605 2.333 3.957 0.167 9 0 "[ . 1]" 1
22 1 7 GLU QB 1 8 LYS H 3.500 2.500 4.500 3.088 2.528 3.839 . 0 0 "[ . 1]" 1
23 1 7 GLU QG 1 8 LYS H 4.500 2.500 5.000 4.255 3.600 4.613 . 0 0 "[ . 1]" 1
24 1 8 LYS H 1 8 LYS HA 2.500 . 3.000 2.822 2.798 2.845 . 0 0 "[ . 1]" 1
25 1 8 LYS H 1 8 LYS QB 2.500 . 3.500 2.290 2.212 2.355 . 0 0 "[ . 1]" 1
26 1 8 LYS H 1 8 LYS QE 4.500 2.500 5.000 4.061 3.607 4.500 . 0 0 "[ . 1]" 1
27 1 8 LYS H 1 8 LYS QG 3.500 2.500 4.500 3.334 2.387 3.959 0.113 2 0 "[ . 1]" 1
28 1 8 LYS HA 1 9 GLU H 3.500 3.000 4.000 3.541 3.526 3.552 . 0 0 "[ . 1]" 1
29 1 8 LYS HA 1 10 GLN H 4.400 2.400 5.000 4.387 4.325 4.468 . 0 0 "[ . 1]" 1
30 1 8 LYS QB 1 9 GLU H 3.500 2.500 4.500 2.562 2.473 2.645 0.027 5 0 "[ . 1]" 1
31 1 8 LYS QE 1 9 GLU H 4.500 2.500 5.000 4.474 4.076 5.088 0.088 8 0 "[ . 1]" 1
32 1 8 LYS QG 1 9 GLU H 4.500 2.500 5.000 3.835 3.509 4.188 . 0 0 "[ . 1]" 1
33 1 9 GLU H 1 9 GLU QB 2.500 . 3.500 2.353 2.254 2.374 . 0 0 "[ . 1]" 1
34 1 9 GLU H 1 9 GLU QG 3.500 2.500 4.500 2.512 2.334 3.956 0.166 8 0 "[ . 1]" 1
35 1 9 GLU QG 1 10 GLN H 4.500 2.500 5.000 4.131 3.603 4.236 . 0 0 "[ . 1]" 1
36 1 10 GLN H 1 10 GLN HA 2.500 . 3.000 2.824 2.818 2.843 . 0 0 "[ . 1]" 1
37 1 10 GLN H 1 10 GLN QB 2.500 . 3.000 2.276 2.249 2.375 . 0 0 "[ . 1]" 1
38 1 10 GLN H 1 10 GLN QG 3.500 2.500 4.500 3.746 2.352 4.053 0.148 2 0 "[ . 1]" 1
39 1 10 GLN HA 1 11 GLU H 3.500 3.000 4.000 3.538 3.529 3.541 . 0 0 "[ . 1]" 1
40 1 11 GLU H 1 11 GLU QB 2.500 . 3.500 2.304 2.244 2.358 . 0 0 "[ . 1]" 1
41 1 11 GLU HA 1 12 LEU H 3.500 3.000 4.000 3.545 3.532 3.568 . 0 0 "[ . 1]" 1
42 1 11 GLU QB 1 12 LEU H 3.500 2.500 4.500 2.580 2.507 2.628 . 0 0 "[ . 1]" 1
43 1 11 GLU QG 1 12 LEU H 4.500 2.500 5.000 3.879 3.532 4.176 . 0 0 "[ . 1]" 1
44 1 12 LEU H 1 12 LEU HA 2.500 . 3.000 2.838 2.302 2.977 . 0 0 "[ . 1]" 1
45 1 12 LEU H 1 12 LEU QB 2.500 . 3.500 2.447 2.243 2.801 . 0 0 "[ . 1]" 1
46 1 12 LEU H 1 12 LEU MD1 4.500 2.500 5.000 3.738 3.436 4.216 . 0 0 "[ . 1]" 1
47 1 12 LEU H 1 12 LEU MD2 4.500 2.500 5.000 3.851 3.501 4.878 . 0 0 "[ . 1]" 1
48 1 12 LEU H 1 12 LEU HG 3.500 2.500 4.500 3.062 2.371 4.512 0.129 10 0 "[ . 1]" 1
49 1 12 LEU HA 1 13 LYS H 3.500 3.000 4.000 2.810 2.155 3.552 0.845 6 5 "[* * -+ *1]" 1
50 1 12 LEU QB 1 13 LYS H 3.500 2.500 4.500 2.986 2.568 3.870 . 0 0 "[ . 1]" 1
51 1 12 LEU MD1 1 13 LYS H 4.500 2.500 5.000 4.495 2.457 4.926 0.043 6 0 "[ . 1]" 1
52 1 13 LYS H 1 13 LYS HA 2.500 . 3.000 2.907 2.844 2.969 . 0 0 "[ . 1]" 1
53 1 13 LYS H 1 13 LYS QB 2.500 . 3.500 2.604 2.278 3.242 . 0 0 "[ . 1]" 1
54 1 13 LYS H 1 13 LYS QG 3.500 2.500 4.500 2.744 2.362 4.023 0.138 4 0 "[ . 1]" 1
55 1 13 LYS HA 1 14 ASN H 3.500 3.000 4.000 2.227 2.160 2.295 0.840 2 10 [*+***-****] 1
56 1 13 LYS QB 1 14 ASN H 3.500 2.500 4.500 2.929 2.611 3.801 . 0 0 "[ . 1]" 1
57 1 13 LYS QD 1 14 ASN H 4.500 2.500 5.000 4.592 2.490 4.919 0.010 2 0 "[ . 1]" 1
58 1 13 LYS QG 1 14 ASN H 4.500 2.500 5.000 3.775 3.024 3.947 . 0 0 "[ . 1]" 1
59 1 14 ASN H 1 14 ASN HA 2.500 . 3.000 2.822 2.303 2.972 . 0 0 "[ . 1]" 1
60 1 14 ASN H 1 14 ASN QB 2.500 . 3.500 2.606 2.235 3.317 . 0 0 "[ . 1]" 1
61 1 14 ASN HA 1 15 LEU H 3.500 3.000 4.000 3.248 2.842 3.556 0.158 5 0 "[ . 1]" 1
62 1 14 ASN QB 1 15 LEU H 3.500 2.500 4.500 3.214 2.475 3.999 0.025 5 0 "[ . 1]" 1
63 1 15 LEU H 1 15 LEU HA 2.500 . 3.000 2.837 2.288 2.957 . 0 0 "[ . 1]" 1
64 1 15 LEU H 1 15 LEU QB 2.500 . 3.500 2.557 2.248 3.381 . 0 0 "[ . 1]" 1
65 1 15 LEU H 1 15 LEU MD1 4.500 2.500 5.000 3.848 2.496 4.297 0.004 8 0 "[ . 1]" 1
66 1 15 LEU H 1 15 LEU MD2 4.500 2.500 5.000 3.936 2.699 4.385 . 0 0 "[ . 1]" 1
67 1 15 LEU H 1 15 LEU HG 3.500 2.500 4.500 3.456 2.363 4.451 0.137 4 0 "[ . 1]" 1
68 1 15 LEU HG 1 16 LYS H 4.500 2.500 5.000 4.000 3.213 4.990 . 0 0 "[ . 1]" 1
69 1 16 LYS H 1 16 LYS HA 2.500 . 3.000 2.826 2.305 2.970 . 0 0 "[ . 1]" 1
70 1 16 LYS H 1 16 LYS QB 2.500 . 3.500 2.685 2.255 3.319 . 0 0 "[ . 1]" 1
71 1 16 LYS H 1 16 LYS QE 4.500 2.500 5.000 4.702 4.064 5.053 0.053 2 0 "[ . 1]" 1
72 1 16 LYS H 1 16 LYS QG 3.500 2.500 4.500 2.670 2.338 3.952 0.162 9 0 "[ . 1]" 1
73 1 16 LYS HA 1 17 ASP H 3.500 3.000 4.000 2.650 2.161 3.534 0.839 8 6 "[* *-.* + *]" 1
74 1 16 LYS QB 1 17 ASP H 3.500 2.500 4.500 3.096 2.470 3.870 0.030 4 0 "[ . 1]" 1
75 1 16 LYS QD 1 17 ASP H 4.500 2.500 5.000 4.601 3.630 5.032 0.032 5 0 "[ . 1]" 1
76 1 16 LYS QG 1 17 ASP H 4.500 2.500 5.000 3.811 2.615 4.626 . 0 0 "[ . 1]" 1
77 1 17 ASP H 1 17 ASP HA 2.500 . 3.000 2.819 2.297 2.962 . 0 0 "[ . 1]" 1
78 1 17 ASP H 1 17 ASP QB 2.500 . 3.500 2.526 2.297 2.929 . 0 0 "[ . 1]" 1
79 1 17 ASP QB 1 18 ASN H 3.500 2.500 4.500 3.374 2.879 4.051 . 0 0 "[ . 1]" 1
80 1 18 ASN H 1 18 ASN HA 2.500 . 3.000 2.867 2.815 2.958 . 0 0 "[ . 1]" 1
81 1 18 ASN H 1 18 ASN QB 2.500 . 3.500 2.359 2.240 2.589 . 0 0 "[ . 1]" 1
82 1 18 ASN HA 1 19 VAL H 3.500 3.000 4.000 3.402 3.027 3.543 . 0 0 "[ . 1]" 1
83 1 18 ASN HA 1 20 GLU H 4.400 2.400 5.000 4.024 3.303 4.497 . 0 0 "[ . 1]" 1
84 1 18 ASN HA 1 21 LEU H 2.500 . 3.500 3.415 3.149 3.545 0.045 7 0 "[ . 1]" 1
85 1 18 ASN QB 1 19 VAL H 3.500 2.500 4.500 3.021 2.541 3.883 . 0 0 "[ . 1]" 1
86 1 19 VAL H 1 19 VAL HA 2.500 . 3.000 2.828 2.766 2.872 . 0 0 "[ . 1]" 1
87 1 19 VAL H 1 19 VAL HB 2.500 . 3.500 2.875 2.364 3.595 0.095 9 0 "[ . 1]" 1
88 1 19 VAL H 1 19 VAL MG1 3.500 2.500 4.500 3.063 2.364 3.736 0.136 9 0 "[ . 1]" 1
89 1 19 VAL HA 1 20 GLU H 3.500 3.000 4.000 3.515 3.455 3.563 . 0 0 "[ . 1]" 1
90 1 19 VAL HA 1 23 ARG H 4.200 2.200 5.000 4.320 4.195 4.398 . 0 0 "[ . 1]" 1
91 1 19 VAL HB 1 20 GLU H 3.500 2.500 4.500 3.226 2.557 4.067 . 0 0 "[ . 1]" 1
92 1 19 VAL MG1 1 20 GLU H 4.500 2.500 5.000 3.483 2.418 4.076 0.082 8 0 "[ . 1]" 1
93 1 20 GLU H 1 20 GLU HA 2.500 . 3.000 2.825 2.817 2.837 . 0 0 "[ . 1]" 1
94 1 20 GLU H 1 20 GLU QB 2.500 . 3.500 2.298 2.251 2.367 . 0 0 "[ . 1]" 1
95 1 20 GLU H 1 20 GLU QG 3.500 2.500 4.500 3.323 2.348 4.003 0.152 7 0 "[ . 1]" 1
96 1 20 GLU HA 1 21 LEU H 3.500 3.000 4.000 3.540 3.534 3.546 . 0 0 "[ . 1]" 1
97 1 20 GLU QB 1 21 LEU H 3.500 2.500 4.500 2.578 2.529 2.645 . 0 0 "[ . 1]" 1
98 1 20 GLU QG 1 21 LEU H 4.500 2.500 5.000 3.899 3.599 4.216 . 0 0 "[ . 1]" 1
99 1 21 LEU H 1 21 LEU QB 2.500 . 3.500 2.330 2.246 2.368 . 0 0 "[ . 1]" 1
100 1 21 LEU H 1 21 LEU MD1 4.500 2.500 5.000 3.665 3.505 4.037 . 0 0 "[ . 1]" 1
101 1 21 LEU H 1 21 LEU MD2 4.500 2.500 5.000 3.806 3.605 4.271 . 0 0 "[ . 1]" 1
102 1 21 LEU H 1 21 LEU HG 3.500 2.500 4.500 2.995 2.371 4.445 0.129 5 0 "[ . 1]" 1
103 1 21 LEU HA 1 22 GLU H 3.500 3.000 4.000 3.538 3.530 3.553 . 0 0 "[ . 1]" 1
104 1 21 LEU QB 1 22 GLU H 3.500 2.500 4.500 2.581 2.496 2.616 0.004 4 0 "[ . 1]" 1
105 1 21 LEU MD1 1 22 GLU H 4.500 2.500 5.000 4.499 4.392 4.551 . 0 0 "[ . 1]" 1
106 1 21 LEU MD2 1 22 GLU H 4.500 2.500 5.000 4.598 4.253 4.737 . 0 0 "[ . 1]" 1
107 1 21 LEU HG 1 22 GLU H 4.500 2.500 5.000 4.206 3.632 4.448 . 0 0 "[ . 1]" 1
108 1 22 GLU H 1 22 GLU HA 2.500 . 3.000 2.820 2.816 2.824 . 0 0 "[ . 1]" 1
109 1 22 GLU H 1 22 GLU QB 2.500 . 3.500 2.287 2.250 2.384 . 0 0 "[ . 1]" 1
110 1 22 GLU QB 1 23 ARG H 3.500 2.500 4.500 2.554 2.515 2.617 . 0 0 "[ . 1]" 1
111 1 23 ARG H 1 23 ARG HA 2.500 . 3.000 2.816 2.811 2.830 . 0 0 "[ . 1]" 1
112 1 23 ARG HA 1 24 LEU H 3.500 3.000 4.000 3.545 3.523 3.555 . 0 0 "[ . 1]" 1
113 1 23 ARG QB 1 24 LEU H 3.500 2.500 4.500 2.530 2.489 2.639 0.011 6 0 "[ . 1]" 1
114 1 23 ARG QD 1 24 LEU H 4.500 2.500 5.000 4.719 4.490 5.025 0.025 6 0 "[ . 1]" 1
115 1 24 LEU H 1 24 LEU HA 2.500 . 3.000 2.812 2.800 2.816 . 0 0 "[ . 1]" 1
116 1 24 LEU H 1 24 LEU QB 2.500 . 3.500 2.247 2.241 2.250 . 0 0 "[ . 1]" 1
117 1 24 LEU H 1 24 LEU MD1 4.500 2.500 5.000 4.031 4.017 4.037 . 0 0 "[ . 1]" 1
118 1 24 LEU H 1 24 LEU MD2 4.500 2.500 5.000 4.264 4.259 4.269 . 0 0 "[ . 1]" 1
119 1 24 LEU H 1 24 LEU HG 3.500 2.500 4.500 4.445 4.442 4.452 . 0 0 "[ . 1]" 1
120 1 24 LEU HA 1 25 LYS H 3.500 3.000 4.000 3.553 3.548 3.561 . 0 0 "[ . 1]" 1
121 1 24 LEU QB 1 25 LYS H 3.500 2.500 4.500 2.510 2.490 2.563 0.010 9 0 "[ . 1]" 1
122 1 24 LEU MD1 1 25 LYS H 4.500 2.500 5.000 4.400 4.392 4.416 . 0 0 "[ . 1]" 1
123 1 24 LEU MD2 1 25 LYS H 4.500 2.500 5.000 4.278 4.254 4.326 . 0 0 "[ . 1]" 1
124 1 24 LEU HG 1 25 LYS H 4.500 2.500 5.000 3.649 3.633 3.682 . 0 0 "[ . 1]" 1
125 1 25 LYS H 1 25 LYS HA 2.500 . 3.000 2.726 2.296 2.861 . 0 0 "[ . 1]" 1
126 1 25 LYS H 1 25 LYS QB 2.500 . 3.500 2.490 2.243 3.364 . 0 0 "[ . 1]" 1
127 1 25 LYS H 1 25 LYS QD 4.500 2.500 5.000 4.099 3.531 4.467 . 0 0 "[ . 1]" 1
128 1 25 LYS HA 1 26 ASN H 3.500 3.000 4.000 2.510 2.164 3.563 0.836 7 8 "[**-*.*+ **]" 1
129 1 25 LYS QB 1 26 ASN H 3.500 2.500 4.500 3.049 2.426 3.738 0.074 5 0 "[ . 1]" 1
130 1 25 LYS QE 1 26 ASN H 4.500 2.500 5.000 4.692 4.037 5.257 0.257 5 0 "[ . 1]" 1
131 1 25 LYS QG 1 26 ASN H 4.500 2.500 5.000 3.387 2.619 4.168 . 0 0 "[ . 1]" 1
132 1 26 ASN H 1 26 ASN HA 2.500 . 3.000 2.806 2.298 2.961 . 0 0 "[ . 1]" 1
133 1 26 ASN H 1 26 ASN QB 2.500 . 3.500 2.555 2.290 3.311 . 0 0 "[ . 1]" 1
134 1 26 ASN QB 1 27 GLU H 3.500 2.500 4.500 3.592 2.660 3.987 . 0 0 "[ . 1]" 1
135 1 27 GLU QB 1 28 ARG H 3.500 2.500 4.500 3.267 2.594 3.776 . 0 0 "[ . 1]" 1
136 1 27 GLU QG 1 28 ARG H 4.500 2.500 5.000 3.525 2.570 4.558 . 0 0 "[ . 1]" 1
137 1 28 ARG H 1 28 ARG QB 2.500 . 3.500 2.587 2.357 3.261 . 0 0 "[ . 1]" 1
138 1 28 ARG HA 1 29 HIS H 3.500 3.000 4.000 2.812 2.166 3.540 0.834 3 5 "[* +*.- *]" 1
139 1 28 ARG QB 1 29 HIS H 3.500 2.500 4.500 2.848 2.499 3.903 0.001 6 0 "[ . 1]" 1
140 1 29 HIS H 1 29 HIS QB 2.500 . 3.500 2.618 2.258 3.326 . 0 0 "[ . 1]" 1
141 1 29 HIS HA 1 30 ASP H 3.500 3.000 4.000 2.543 2.155 3.560 0.845 9 7 "[** *.- *+*]" 1
142 1 29 HIS QB 1 30 ASP H 3.500 2.500 4.500 3.055 2.471 3.888 0.029 7 0 "[ . 1]" 1
143 1 30 ASP H 1 30 ASP QB 2.500 . 3.500 2.474 2.243 2.894 . 0 0 "[ . 1]" 1
144 1 30 ASP HA 1 31 HIS H 3.500 3.000 4.000 3.408 2.847 3.558 0.153 8 0 "[ . 1]" 1
145 1 30 ASP QB 1 31 HIS H 3.500 2.500 4.500 2.979 2.489 3.918 0.011 6 0 "[ . 1]" 1
146 1 31 HIS H 1 31 HIS HA 2.500 . 3.000 2.783 2.291 2.963 . 0 0 "[ . 1]" 1
147 1 31 HIS H 1 31 HIS QB 2.500 . 3.500 2.740 2.252 3.350 . 0 0 "[ . 1]" 1
148 1 31 HIS HA 1 32 ASP H 3.500 3.000 4.000 2.701 2.135 3.554 0.865 9 5 "[*-* . +*]" 1
149 1 31 HIS QB 1 32 ASP H 3.500 2.500 4.500 3.165 2.474 4.055 0.026 2 0 "[ . 1]" 1
150 1 32 ASP H 1 32 ASP HA 2.500 . 3.000 2.864 2.808 2.972 . 0 0 "[ . 1]" 1
151 1 32 ASP H 1 32 ASP QB 2.500 . 3.500 2.435 2.252 2.679 . 0 0 "[ . 1]" 1
152 1 32 ASP HA 1 33 GLU H 3.500 3.000 4.000 2.972 2.146 3.544 0.854 3 3 "[ *+ - 1]" 1
153 1 32 ASP QB 1 33 GLU H 3.500 2.500 4.500 2.973 2.319 3.909 0.181 4 0 "[ . 1]" 1
154 1 33 GLU H 1 33 GLU HA 2.500 . 3.000 2.715 2.299 2.832 . 0 0 "[ . 1]" 1
155 1 33 GLU H 1 33 GLU QB 2.500 . 3.500 2.533 2.247 3.345 . 0 0 "[ . 1]" 1
156 1 33 GLU H 1 33 GLU QG 3.500 2.500 4.500 3.102 2.320 4.041 0.180 10 0 "[ . 1]" 1
157 1 33 GLU H 1 34 GLU H 2.800 2.300 3.300 2.678 2.595 2.735 . 0 0 "[ . 1]" 1
158 1 33 GLU HA 1 34 GLU H 3.500 3.000 4.000 3.395 2.909 3.556 0.091 7 0 "[ . 1]" 1
159 1 34 GLU H 1 34 GLU HA 2.500 . 3.000 2.716 2.299 2.825 . 0 0 "[ . 1]" 1
160 1 34 GLU H 1 34 GLU QB 2.500 . 3.500 2.497 2.250 3.347 . 0 0 "[ . 1]" 1
161 1 34 GLU H 1 34 GLU QG 3.500 2.500 4.500 3.288 2.346 4.002 0.154 4 0 "[ . 1]" 1
162 1 34 GLU HA 1 35 ALA H 3.500 3.000 4.000 3.414 2.909 3.546 0.091 3 0 "[ . 1]" 1
163 1 34 GLU QB 1 35 ALA H 3.500 2.500 4.500 2.827 2.525 3.832 . 0 0 "[ . 1]" 1
164 1 34 GLU QG 1 35 ALA H 4.500 2.500 5.000 4.047 3.604 4.478 . 0 0 "[ . 1]" 1
165 1 35 ALA H 1 35 ALA MB 2.500 . 3.500 2.219 2.192 2.234 . 0 0 "[ . 1]" 1
166 1 35 ALA HA 1 36 GLU H 3.500 3.000 4.000 3.537 3.531 3.542 . 0 0 "[ . 1]" 1
167 1 35 ALA MB 1 36 GLU H 3.500 2.500 4.500 2.560 2.535 2.587 . 0 0 "[ . 1]" 1
168 1 36 GLU H 1 36 GLU HA 2.500 . 3.000 2.821 2.806 2.833 . 0 0 "[ . 1]" 1
169 1 36 GLU H 1 36 GLU QB 2.500 . 3.500 2.309 2.250 2.379 . 0 0 "[ . 1]" 1
170 1 36 GLU H 1 36 GLU QG 3.500 2.500 4.500 3.231 2.340 3.999 0.160 8 0 "[ . 1]" 1
171 1 36 GLU HA 1 37 ARG H 3.500 3.000 4.000 3.543 3.532 3.564 . 0 0 "[ . 1]" 1
172 1 36 GLU QG 1 37 ARG H 4.500 2.500 5.000 3.988 3.569 4.474 . 0 0 "[ . 1]" 1
173 1 37 ARG H 1 37 ARG QB 2.500 . 3.500 2.298 2.241 2.363 . 0 0 "[ . 1]" 1
174 1 37 ARG H 1 37 ARG QG 3.500 2.500 4.500 3.272 2.354 4.005 0.146 5 0 "[ . 1]" 1
175 1 37 ARG HA 1 38 LYS H 3.500 3.000 4.000 3.545 3.531 3.561 . 0 0 "[ . 1]" 1
176 1 37 ARG HA 1 40 LEU H 3.400 2.900 3.900 3.461 3.425 3.499 . 0 0 "[ . 1]" 1
177 1 38 LYS H 1 38 LYS QB 2.500 . 3.500 2.329 2.254 2.366 . 0 0 "[ . 1]" 1
178 1 38 LYS H 1 38 LYS QE 4.500 2.500 5.000 4.628 4.385 5.028 0.028 10 0 "[ . 1]" 1
179 1 38 LYS HA 1 39 ALA H 3.500 3.000 4.000 3.542 3.533 3.555 . 0 0 "[ . 1]" 1
180 1 38 LYS QB 1 39 ALA H 3.500 2.500 4.500 2.570 2.491 2.613 0.009 8 0 "[ . 1]" 1
181 1 38 LYS QG 1 39 ALA H 4.500 2.500 5.000 3.948 3.504 4.156 . 0 0 "[ . 1]" 1
182 1 39 ALA H 1 39 ALA HA 2.500 . 3.000 2.816 2.814 2.818 . 0 0 "[ . 1]" 1
183 1 39 ALA H 1 39 ALA MB 2.500 . 3.500 2.226 2.204 2.235 . 0 0 "[ . 1]" 1
184 1 39 ALA HA 1 40 LEU H 3.500 3.000 4.000 3.538 3.537 3.540 . 0 0 "[ . 1]" 1
185 1 39 ALA HA 1 43 LYS H 4.200 2.200 5.000 4.259 4.161 4.486 . 0 0 "[ . 1]" 1
186 1 39 ALA MB 1 40 LEU H 3.500 2.500 4.500 2.539 2.524 2.569 . 0 0 "[ . 1]" 1
187 1 40 LEU H 1 40 LEU HA 2.500 . 3.000 2.819 2.811 2.834 . 0 0 "[ . 1]" 1
188 1 40 LEU H 1 40 LEU QB 2.500 . 3.500 2.283 2.247 2.365 . 0 0 "[ . 1]" 1
189 1 40 LEU H 1 40 LEU MD1 4.500 2.500 5.000 3.875 3.504 4.036 . 0 0 "[ . 1]" 1
190 1 40 LEU H 1 40 LEU MD2 4.500 2.500 5.000 4.070 3.609 4.270 . 0 0 "[ . 1]" 1
191 1 40 LEU H 1 40 LEU HG 3.500 2.500 4.500 3.823 2.371 4.447 0.129 2 0 "[ . 1]" 1
192 1 40 LEU H 1 41 GLU H 2.800 2.300 3.300 2.688 2.631 2.715 . 0 0 "[ . 1]" 1
193 1 40 LEU HA 1 41 GLU H 3.500 3.000 4.000 3.546 3.530 3.555 . 0 0 "[ . 1]" 1
194 1 40 LEU QB 1 41 GLU H 3.500 2.500 4.500 2.533 2.494 2.616 0.006 1 0 "[ . 1]" 1
195 1 40 LEU HG 1 41 GLU H 4.500 2.500 5.000 3.881 3.634 4.448 . 0 0 "[ . 1]" 1
196 1 41 GLU H 1 41 GLU HA 2.500 . 3.000 2.824 2.816 2.832 . 0 0 "[ . 1]" 1
197 1 41 GLU H 1 41 GLU QB 2.500 . 3.500 2.297 2.250 2.371 . 0 0 "[ . 1]" 1
198 1 41 GLU H 1 41 GLU QG 3.500 2.500 4.500 3.322 2.335 4.040 0.165 9 0 "[ . 1]" 1
199 1 41 GLU QB 1 42 ASP H 3.500 2.500 4.500 2.569 2.527 2.629 . 0 0 "[ . 1]" 1
200 1 41 GLU QG 1 42 ASP H 4.500 2.500 5.000 3.828 3.589 4.188 . 0 0 "[ . 1]" 1
201 1 42 ASP H 1 42 ASP HA 2.500 . 3.000 2.815 2.815 2.816 . 0 0 "[ . 1]" 1
202 1 42 ASP H 1 42 ASP QB 2.500 . 3.500 2.263 2.252 2.350 . 0 0 "[ . 1]" 1
203 1 42 ASP HA 1 43 LYS H 3.500 3.000 4.000 3.548 3.541 3.551 . 0 0 "[ . 1]" 1
204 1 42 ASP HA 1 45 ALA H 3.400 2.900 3.900 3.481 3.382 3.547 . 0 0 "[ . 1]" 1
205 1 42 ASP QB 1 43 LYS H 3.500 2.500 4.500 2.512 2.496 2.604 0.004 7 0 "[ . 1]" 1
206 1 43 LYS H 1 43 LYS HA 2.500 . 3.000 2.823 2.814 2.830 . 0 0 "[ . 1]" 1
207 1 43 LYS H 1 43 LYS QB 2.500 . 3.500 2.318 2.246 2.368 . 0 0 "[ . 1]" 1
208 1 43 LYS H 1 43 LYS QG 3.500 2.500 4.500 2.997 2.343 3.960 0.157 9 0 "[ . 1]" 1
209 1 43 LYS HA 1 44 LEU H 3.500 3.000 4.000 3.541 3.533 3.554 . 0 0 "[ . 1]" 1
210 1 43 LYS HA 1 45 ALA H 4.400 2.400 5.000 4.423 4.346 4.521 . 0 0 "[ . 1]" 1
211 1 43 LYS HA 1 46 ASP H 3.400 2.900 3.900 3.474 3.395 3.569 . 0 0 "[ . 1]" 1
212 1 43 LYS QB 1 44 LEU H 3.500 2.500 4.500 2.577 2.486 2.637 0.014 10 0 "[ . 1]" 1
213 1 44 LEU H 1 44 LEU HA 2.500 . 3.000 2.824 2.813 2.836 . 0 0 "[ . 1]" 1
214 1 44 LEU H 1 44 LEU QB 2.500 . 3.500 2.306 2.243 2.366 . 0 0 "[ . 1]" 1
215 1 44 LEU H 1 44 LEU MD1 4.500 2.500 5.000 3.770 3.505 4.035 . 0 0 "[ . 1]" 1
216 1 44 LEU H 1 44 LEU MD2 4.500 2.500 5.000 3.938 3.608 4.269 . 0 0 "[ . 1]" 1
217 1 44 LEU H 1 44 LEU HG 3.500 2.500 4.500 3.409 2.371 4.445 0.129 8 0 "[ . 1]" 1
218 1 44 LEU HA 1 45 ALA H 3.500 3.000 4.000 3.541 3.524 3.554 . 0 0 "[ . 1]" 1
219 1 44 LEU QB 1 45 ALA H 3.500 2.500 4.500 2.555 2.493 2.618 0.007 9 0 "[ . 1]" 1
220 1 44 LEU MD1 1 45 ALA H 4.500 2.500 5.000 4.472 4.391 4.553 . 0 0 "[ . 1]" 1
221 1 44 LEU MD2 1 45 ALA H 4.500 2.500 5.000 4.497 4.250 4.737 . 0 0 "[ . 1]" 1
222 1 44 LEU HG 1 45 ALA H 4.500 2.500 5.000 4.043 3.629 4.448 . 0 0 "[ . 1]" 1
223 1 45 ALA H 1 45 ALA HA 2.500 . 3.000 2.816 2.811 2.819 . 0 0 "[ . 1]" 1
224 1 45 ALA H 1 45 ALA MB 2.500 . 3.500 2.209 2.185 2.233 . 0 0 "[ . 1]" 1
225 1 45 ALA HA 1 46 ASP H 3.500 3.000 4.000 3.540 3.537 3.556 . 0 0 "[ . 1]" 1
226 1 45 ALA MB 1 46 ASP H 3.500 2.500 4.500 2.544 2.516 2.575 . 0 0 "[ . 1]" 1
227 1 46 ASP H 1 46 ASP HA 2.500 . 3.000 2.675 2.301 2.940 . 0 0 "[ . 1]" 1
228 1 46 ASP H 1 46 ASP QB 2.500 . 3.500 2.523 2.253 2.892 . 0 0 "[ . 1]" 1
229 1 46 ASP HA 1 47 LYS H 3.500 3.000 4.000 3.195 2.520 3.551 0.480 2 0 "[ . 1]" 1
230 1 46 ASP HA 1 48 GLN H 4.400 2.400 5.000 4.069 3.110 5.110 0.110 1 0 "[ . 1]" 1
231 1 46 ASP QB 1 47 LYS H 3.500 2.500 4.500 3.099 2.459 4.014 0.041 2 0 "[ . 1]" 1
232 1 47 LYS H 1 47 LYS QB 2.500 . 3.500 2.630 2.253 3.312 . 0 0 "[ . 1]" 1
233 1 47 LYS H 1 47 LYS QG 3.500 2.500 4.500 2.946 2.352 3.978 0.148 9 0 "[ . 1]" 1
234 1 47 LYS QB 1 48 GLN H 3.500 2.500 4.500 3.574 2.497 3.958 0.003 4 0 "[ . 1]" 1
235 1 47 LYS QG 1 48 GLN H 4.500 2.500 5.000 3.712 2.451 4.457 0.049 9 0 "[ . 1]" 1
236 1 48 GLN H 1 48 GLN QG 3.500 2.500 4.500 2.762 2.362 4.080 0.138 5 0 "[ . 1]" 1
237 1 48 GLN HA 1 49 GLU H 3.500 3.000 4.000 3.028 2.158 3.545 0.842 2 3 "[-+ *. 1]" 1
238 1 48 GLN QG 1 49 GLU H 4.500 2.500 5.000 3.808 2.655 4.401 . 0 0 "[ . 1]" 1
239 1 49 GLU H 1 49 GLU QB 2.500 . 3.500 2.673 2.241 3.280 . 0 0 "[ . 1]" 1
240 1 49 GLU H 1 49 GLU QG 3.500 2.500 4.500 2.752 2.340 4.236 0.160 6 0 "[ . 1]" 1
241 1 49 GLU HA 1 50 HIS H 3.500 3.000 4.000 3.259 2.578 3.551 0.422 5 0 "[ . 1]" 1
242 1 49 GLU QB 1 50 HIS H 3.500 2.500 4.500 2.992 2.396 4.034 0.104 5 0 "[ . 1]" 1
243 1 49 GLU QG 1 50 HIS H 4.500 2.500 5.000 4.091 3.334 4.440 . 0 0 "[ . 1]" 1
244 1 50 HIS H 1 50 HIS HA 2.500 . 3.000 2.817 2.296 2.963 . 0 0 "[ . 1]" 1
245 1 50 HIS H 1 50 HIS QB 2.500 . 3.500 2.644 2.244 3.205 . 0 0 "[ . 1]" 1
246 1 50 HIS HA 1 51 LEU H 3.500 3.000 4.000 2.847 2.193 3.557 0.807 3 4 "[ *+*- 1]" 1
247 1 50 HIS QB 1 51 LEU H 3.500 2.500 4.500 2.937 2.426 3.944 0.074 9 0 "[ . 1]" 1
248 1 51 LEU H 1 51 LEU HA 2.500 . 3.000 2.817 2.309 2.956 . 0 0 "[ . 1]" 1
249 1 51 LEU H 1 51 LEU QB 2.500 . 3.500 2.402 2.147 3.346 . 0 0 "[ . 1]" 1
250 1 51 LEU H 1 51 LEU MD1 4.500 2.500 5.000 3.777 2.383 4.225 0.117 10 0 "[ . 1]" 1
251 1 51 LEU H 1 51 LEU MD2 4.500 2.500 5.000 3.714 2.373 4.370 0.127 9 0 "[ . 1]" 1
252 1 51 LEU H 1 51 LEU HG 3.500 2.500 4.500 3.557 2.371 4.455 0.129 8 0 "[ . 1]" 1
253 1 51 LEU HA 1 52 ASP H 3.500 3.000 4.000 3.219 2.155 3.553 0.845 1 2 "[+ - 1]" 1
254 1 51 LEU QB 1 52 ASP H 3.500 2.500 4.500 2.965 2.491 3.866 0.009 3 0 "[ . 1]" 1
255 1 51 LEU MD1 1 52 ASP H 4.500 2.500 5.000 4.152 2.450 5.208 0.208 7 0 "[ . 1]" 1
256 1 51 LEU MD2 1 52 ASP H 4.500 2.500 5.000 4.536 3.977 4.744 . 0 0 "[ . 1]" 1
257 1 51 LEU HG 1 52 ASP H 4.500 2.500 5.000 4.203 3.305 5.230 0.230 9 0 "[ . 1]" 1
258 1 52 ASP H 1 52 ASP HA 2.500 . 3.000 2.722 2.295 2.907 . 0 0 "[ . 1]" 1
259 1 52 ASP H 1 52 ASP QB 2.500 . 3.500 2.418 2.255 2.890 . 0 0 "[ . 1]" 1
260 1 52 ASP HA 1 53 GLY H 3.500 3.000 4.000 3.215 2.504 3.558 0.496 8 0 "[ . 1]" 1
261 1 52 ASP QB 1 53 GLY H 3.500 2.500 4.500 2.834 2.448 4.066 0.052 3 0 "[ . 1]" 1
262 1 53 GLY H 1 53 GLY QA 2.500 . 3.000 2.216 2.203 2.237 . 0 0 "[ . 1]" 1
263 1 53 GLY H 1 54 ALA H 2.800 2.300 3.300 2.618 2.462 2.723 . 0 0 "[ . 1]" 1
264 1 53 GLY H 1 55 LEU H 4.200 2.200 5.000 4.250 3.770 4.620 . 0 0 "[ . 1]" 1
265 1 53 GLY QA 1 54 ALA H 3.500 3.000 4.000 2.837 2.757 2.932 0.243 2 0 "[ . 1]" 1
266 1 53 GLY QA 1 55 LEU H 4.400 2.400 5.000 3.544 3.071 4.067 . 0 0 "[ . 1]" 1
267 1 54 ALA H 1 54 ALA HA 2.500 . 3.000 2.675 2.296 2.902 . 0 0 "[ . 1]" 1
268 1 54 ALA HA 1 55 LEU H 3.500 3.000 4.000 3.325 2.959 3.553 0.041 3 0 "[ . 1]" 1
269 1 54 ALA MB 1 55 LEU H 3.500 2.500 4.500 3.003 2.521 3.615 . 0 0 "[ . 1]" 1
270 1 55 LEU H 1 55 LEU QB 2.500 . 3.500 2.420 2.247 3.343 . 0 0 "[ . 1]" 1
271 1 55 LEU H 1 55 LEU MD1 4.500 2.500 5.000 3.776 3.460 4.265 . 0 0 "[ . 1]" 1
272 1 55 LEU HA 1 56 ARG H 3.500 3.000 4.000 3.490 2.981 3.566 0.019 4 0 "[ . 1]" 1
273 1 55 LEU QB 1 56 ARG H 3.500 2.500 4.500 2.669 2.486 3.758 0.014 7 0 "[ . 1]" 1
274 1 55 LEU HG 1 56 ARG H 4.500 2.500 5.000 4.131 3.605 4.750 . 0 0 "[ . 1]" 1
275 1 56 ARG H 1 56 ARG HA 2.500 . 3.000 2.722 2.289 2.876 . 0 0 "[ . 1]" 1
276 1 56 ARG H 1 56 ARG QB 2.500 . 3.500 2.571 2.348 3.398 . 0 0 "[ . 1]" 1
277 1 56 ARG HA 1 57 TYR H 3.500 3.000 4.000 3.437 2.955 3.539 0.045 4 0 "[ . 1]" 1
278 1 56 ARG QB 1 57 TYR H 3.500 2.500 4.500 3.069 2.508 3.801 . 0 0 "[ . 1]" 1
279 1 56 ARG QD 1 57 TYR H 4.500 2.500 5.000 4.813 4.445 5.174 0.174 5 0 "[ . 1]" 1
280 1 56 ARG QG 1 57 TYR H 4.500 2.500 5.000 3.683 2.475 4.584 0.025 10 0 "[ . 1]" 1
281 1 57 TYR H 1 57 TYR HB2 2.500 . 3.500 2.848 2.368 3.502 0.002 4 0 "[ . 1]" 1
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