NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529321 |
2llw   |
18091 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2llw
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 432
_Distance_constraint_stats_list.Viol_count 803
_Distance_constraint_stats_list.Viol_total 1870.776
_Distance_constraint_stats_list.Viol_max 1.527
_Distance_constraint_stats_list.Viol_rms 0.0820
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.1109
_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 7 GLU 0.378 0.312 1 0 "[ . 1 . 2 ]"
1 8 THR 2.824 0.312 1 0 "[ . 1 . 2 ]"
1 9 PRO 0.061 0.023 12 0 "[ . 1 . 2 ]"
1 10 GLU 0.144 0.083 7 0 "[ . 1 . 2 ]"
1 11 GLU 2.789 0.172 20 0 "[ . 1 . 2 ]"
1 12 THR 0.475 0.044 8 0 "[ . 1 . 2 ]"
1 13 TYR 13.487 0.614 17 20 [***-.***********+****]
1 14 GLN 11.743 0.614 17 20 [***-.***********+****]
1 15 ARG 1.045 0.056 9 0 "[ . 1 . 2 ]"
1 16 ALA 1.045 0.056 9 0 "[ . 1 . 2 ]"
1 17 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 LYS 1.392 0.077 7 0 "[ . 1 . 2 ]"
1 19 ASP 12.140 0.977 9 9 "[* *-. +1* *. * ** ]"
1 20 PRO 0.114 0.071 21 0 "[ . 1 . 2 ]"
1 21 GLU 0.655 0.075 1 0 "[ . 1 . 2 ]"
1 22 VAL 0.499 0.059 1 0 "[ . 1 . 2 ]"
1 23 ALA 12.098 0.977 9 9 "[* *-. +1* *. * ** ]"
1 24 ALA 1.865 0.090 9 0 "[ . 1 . 2 ]"
1 25 ILE 0.086 0.022 14 0 "[ . 1 . 2 ]"
1 26 MET 0.359 0.082 5 0 "[ . 1 . 2 ]"
1 27 GLN 3.873 0.145 1 0 "[ . 1 . 2 ]"
1 28 ASP 3.881 0.145 1 0 "[ . 1 . 2 ]"
1 29 PRO 0.128 0.045 8 0 "[ . 1 . 2 ]"
1 30 VAL 0.767 0.063 20 0 "[ . 1 . 2 ]"
1 31 MET 1.100 0.071 5 0 "[ . 1 . 2 ]"
1 32 GLN 0.128 0.045 8 0 "[ . 1 . 2 ]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 ILE 2.238 0.088 4 0 "[ . 1 . 2 ]"
1 35 LEU 0.852 0.056 1 0 "[ . 1 . 2 ]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 GLN 0.146 0.028 11 0 "[ . 1 . 2 ]"
1 38 ALA 0.670 0.036 1 0 "[ . 1 . 2 ]"
1 39 GLN 0.525 0.036 1 0 "[ . 1 . 2 ]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 ASN 1.106 0.181 11 0 "[ . 1 . 2 ]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ALA 0.067 0.016 15 0 "[ . 1 . 2 ]"
1 44 ALA 0.417 0.181 11 0 "[ . 1 . 2 ]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLU 1.992 0.102 2 0 "[ . 1 . 2 ]"
1 48 HIS 4.432 0.146 5 0 "[ . 1 . 2 ]"
1 49 MET 0.007 0.007 21 0 "[ . 1 . 2 ]"
1 50 LYS 0.166 0.031 18 0 "[ . 1 . 2 ]"
1 51 ASN 31.125 1.527 1 21 [+*******************-]
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 GLU 0.041 0.033 9 0 "[ . 1 . 2 ]"
1 54 VAL 31.166 1.527 1 21 [+*******************-]
1 55 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 LYS 2.248 0.106 6 0 "[ . 1 . 2 ]"
1 58 ILE 4.702 0.146 5 0 "[ . 1 . 2 ]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 THR 3.289 0.078 1 0 "[ . 1 . 2 ]"
1 61 LEU 2.589 0.091 20 0 "[ . 1 . 2 ]"
1 62 ILE 0.568 0.048 1 0 "[ . 1 . 2 ]"
1 63 ALA 2.581 0.098 16 0 "[ . 1 . 2 ]"
1 64 ALA 0.091 0.029 9 0 "[ . 1 . 2 ]"
1 65 GLY 0.006 0.006 12 0 "[ . 1 . 2 ]"
1 66 ILE 2.159 0.091 20 0 "[ . 1 . 2 ]"
1 67 ILE 1.994 0.075 12 0 "[ . 1 . 2 ]"
1 68 ARG 0.636 0.101 11 0 "[ . 1 . 2 ]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLU HA 1 8 THR H 0.000 . 2.700 2.360 2.151 3.012 0.312 1 0 "[ . 1 . 2 ]" 1
2 1 7 GLU QB 1 8 THR H 0.000 . 3.900 2.880 1.920 3.591 . 0 0 "[ . 1 . 2 ]" 1
3 1 7 GLU QG 1 8 THR H 0.000 . 4.700 3.588 1.947 4.295 . 0 0 "[ . 1 . 2 ]" 1
4 1 8 THR H 1 8 THR MG 0.000 . 3.500 2.761 2.355 3.004 . 0 0 "[ . 1 . 2 ]" 1
5 1 8 THR H 1 11 GLU H 0.000 . 5.000 4.912 4.375 5.172 0.172 20 0 "[ . 1 . 2 ]" 1
6 1 8 THR H 1 11 GLU HB3 5.000 5.000 6.000 5.068 4.923 6.040 0.077 1 0 "[ . 1 . 2 ]" 1
7 1 8 THR HA 1 9 PRO QD 0.000 . 5.800 2.214 2.038 2.714 . 0 0 "[ . 1 . 2 ]" 1
8 1 8 THR HA 1 9 PRO QG 0.000 . 5.700 4.128 3.936 4.571 . 0 0 "[ . 1 . 2 ]" 1
9 1 8 THR HA 1 11 GLU HB2 0.000 . 5.000 4.982 3.999 5.094 0.094 12 0 "[ . 1 . 2 ]" 1
10 1 8 THR HB 1 10 GLU H 0.000 . 4.000 3.119 2.253 4.083 0.083 7 0 "[ . 1 . 2 ]" 1
11 1 8 THR MG 1 10 GLU H 0.000 . 5.800 4.283 3.584 4.843 . 0 0 "[ . 1 . 2 ]" 1
12 1 9 PRO HA 1 10 GLU H 0.000 . 4.000 3.520 3.504 3.537 . 0 0 "[ . 1 . 2 ]" 1
13 1 9 PRO HB2 1 13 TYR H 0.000 . 5.900 5.472 5.319 5.549 . 0 0 "[ . 1 . 2 ]" 1
14 1 9 PRO HB3 1 10 GLU H 0.000 . 4.200 4.149 4.068 4.223 0.023 12 0 "[ . 1 . 2 ]" 1
15 1 9 PRO QG 1 10 GLU H 0.000 . 4.700 3.937 3.773 4.128 . 0 0 "[ . 1 . 2 ]" 1
16 1 10 GLU H 1 10 GLU QB 0.000 . 3.400 2.307 2.234 2.472 . 0 0 "[ . 1 . 2 ]" 1
17 1 10 GLU H 1 11 GLU H 0.000 . 3.200 2.693 2.671 2.721 . 0 0 "[ . 1 . 2 ]" 1
18 1 10 GLU H 1 13 TYR QB 0.000 . 6.800 5.343 5.070 5.697 . 0 0 "[ . 1 . 2 ]" 1
19 1 11 GLU H 1 11 GLU HB2 0.000 . 3.200 2.386 2.258 2.525 . 0 0 "[ . 1 . 2 ]" 1
20 1 11 GLU H 1 11 GLU HB3 0.000 . 2.700 2.701 2.559 2.792 0.092 19 0 "[ . 1 . 2 ]" 1
21 1 11 GLU H 1 12 THR H 0.000 . 4.000 2.591 2.562 2.623 . 0 0 "[ . 1 . 2 ]" 1
22 1 11 GLU HB2 1 12 THR H 0.000 . 4.000 3.718 3.558 3.877 . 0 0 "[ . 1 . 2 ]" 1
23 1 11 GLU HB3 1 12 THR H 0.000 . 3.200 2.571 2.413 2.714 . 0 0 "[ . 1 . 2 ]" 1
24 1 12 THR H 1 12 THR HB 0.000 . 2.700 2.721 2.670 2.744 0.044 8 0 "[ . 1 . 2 ]" 1
25 1 12 THR H 1 12 THR MG 0.000 . 4.800 3.721 3.711 3.740 . 0 0 "[ . 1 . 2 ]" 1
26 1 12 THR H 1 13 TYR H 0.000 . 4.000 2.803 2.752 2.873 . 0 0 "[ . 1 . 2 ]" 1
27 1 12 THR HB 1 13 TYR H 0.000 . 2.700 2.451 2.328 2.533 . 0 0 "[ . 1 . 2 ]" 1
28 1 12 THR HB 1 66 ILE MG 0.000 . 5.800 4.851 4.830 4.870 . 0 0 "[ . 1 . 2 ]" 1
29 1 12 THR MG 1 13 TYR H 0.000 . 5.800 3.618 3.496 3.681 . 0 0 "[ . 1 . 2 ]" 1
30 1 12 THR MG 1 65 GLY HA2 0.000 . 5.800 3.513 3.202 4.185 . 0 0 "[ . 1 . 2 ]" 1
31 1 12 THR MG 1 65 GLY HA3 0.000 . 5.800 2.279 1.921 3.160 . 0 0 "[ . 1 . 2 ]" 1
32 1 12 THR MG 1 66 ILE MD 0.000 . 6.500 4.387 4.184 4.525 . 0 0 "[ . 1 . 2 ]" 1
33 1 13 TYR H 1 13 TYR HA 0.000 . 2.700 2.783 2.768 2.789 0.089 13 0 "[ . 1 . 2 ]" 1
34 1 13 TYR H 1 13 TYR QB 0.000 . 3.400 2.330 2.211 2.538 . 0 0 "[ . 1 . 2 ]" 1
35 1 13 TYR H 1 14 GLN QB 0.000 . 5.700 4.852 4.768 5.115 . 0 0 "[ . 1 . 2 ]" 1
36 1 13 TYR H 1 14 GLN QG 5.000 5.000 6.500 4.441 4.386 4.523 0.614 17 20 [***-.***********+****] 1
37 1 13 TYR HA 1 16 ALA MB 0.000 . 3.500 2.925 2.883 2.937 . 0 0 "[ . 1 . 2 ]" 1
38 1 13 TYR HA 1 66 ILE MD 0.000 . 5.800 3.564 3.438 3.754 . 0 0 "[ . 1 . 2 ]" 1
39 1 13 TYR HA 1 66 ILE HG13 0.000 . 5.000 4.630 4.405 4.830 . 0 0 "[ . 1 . 2 ]" 1
40 1 13 TYR QB 1 14 GLN H 0.000 . 3.400 2.448 2.288 2.554 . 0 0 "[ . 1 . 2 ]" 1
41 1 13 TYR QB 1 66 ILE MD 0.000 . 6.500 4.799 4.588 4.840 . 0 0 "[ . 1 . 2 ]" 1
42 1 13 TYR QE 1 66 ILE MD 0.000 . 6.800 4.581 4.030 4.974 . 0 0 "[ . 1 . 2 ]" 1
43 1 14 GLN H 1 14 GLN QB 0.000 . 3.400 2.424 2.404 2.441 . 0 0 "[ . 1 . 2 ]" 1
44 1 14 GLN H 1 14 GLN QG 0.000 . 3.400 2.191 2.127 2.327 . 0 0 "[ . 1 . 2 ]" 1
45 1 15 ARG H 1 16 ALA H 0.000 . 2.700 2.750 2.745 2.756 0.056 9 0 "[ . 1 . 2 ]" 1
46 1 15 ARG HA 1 16 ALA H 0.000 . 4.000 3.557 3.550 3.563 . 0 0 "[ . 1 . 2 ]" 1
47 1 15 ARG QB 1 16 ALA H 0.000 . 2.700 2.382 2.358 2.422 . 0 0 "[ . 1 . 2 ]" 1
48 1 16 ALA H 1 16 ALA MB 0.000 . 3.500 2.188 2.152 2.233 . 0 0 "[ . 1 . 2 ]" 1
49 1 16 ALA H 1 17 MET H 0.000 . 2.700 2.644 2.622 2.665 . 0 0 "[ . 1 . 2 ]" 1
50 1 16 ALA H 1 18 LYS H 0.000 . 4.500 4.241 4.193 4.281 . 0 0 "[ . 1 . 2 ]" 1
51 1 16 ALA MB 1 17 MET H 0.000 . 3.500 2.670 2.630 2.720 . 0 0 "[ . 1 . 2 ]" 1
52 1 16 ALA MB 1 18 LYS H 0.000 . 5.800 4.440 4.388 4.477 . 0 0 "[ . 1 . 2 ]" 1
53 1 17 MET H 1 17 MET QB 0.000 . 3.400 2.223 2.062 2.347 . 0 0 "[ . 1 . 2 ]" 1
54 1 17 MET H 1 18 LYS H 0.000 . 2.700 2.656 2.644 2.677 . 0 0 "[ . 1 . 2 ]" 1
55 1 17 MET HA 1 18 LYS H 0.000 . 4.000 3.504 3.491 3.514 . 0 0 "[ . 1 . 2 ]" 1
56 1 17 MET HA 1 22 VAL QG 0.000 . 4.000 3.221 2.983 3.294 . 0 0 "[ . 1 . 2 ]" 1
57 1 17 MET ME 1 23 ALA HA 0.000 . 4.000 2.439 1.893 2.873 . 0 0 "[ . 1 . 2 ]" 1
58 1 17 MET ME 1 23 ALA MB 0.000 . 4.700 3.124 2.633 3.278 . 0 0 "[ . 1 . 2 ]" 1
59 1 17 MET ME 1 26 MET QG 0.000 . 5.500 3.246 2.749 3.768 . 0 0 "[ . 1 . 2 ]" 1
60 1 17 MET ME 1 66 ILE MD 0.000 . 4.700 3.263 3.001 3.298 . 0 0 "[ . 1 . 2 ]" 1
61 1 18 LYS H 1 18 LYS HB2 0.000 . 3.200 2.429 2.409 2.451 . 0 0 "[ . 1 . 2 ]" 1
62 1 18 LYS H 1 18 LYS HB3 0.000 . 4.000 3.605 3.602 3.609 . 0 0 "[ . 1 . 2 ]" 1
63 1 18 LYS H 1 18 LYS QG 0.000 . 3.400 2.321 2.275 2.372 . 0 0 "[ . 1 . 2 ]" 1
64 1 18 LYS H 1 19 ASP H 0.000 . 3.200 2.459 2.410 2.487 . 0 0 "[ . 1 . 2 ]" 1
65 1 18 LYS HA 1 19 ASP H 0.000 . 3.400 3.466 3.451 3.477 0.077 7 0 "[ . 1 . 2 ]" 1
66 1 18 LYS HB2 1 19 ASP H 0.000 . 4.000 3.056 2.996 3.151 . 0 0 "[ . 1 . 2 ]" 1
67 1 18 LYS QD 1 19 ASP H 0.000 . 6.000 5.119 5.056 5.204 . 0 0 "[ . 1 . 2 ]" 1
68 1 19 ASP H 1 19 ASP QB 0.000 . 2.700 2.275 2.237 2.289 . 0 0 "[ . 1 . 2 ]" 1
69 1 19 ASP H 1 20 PRO QD 0.000 . 5.800 4.255 4.171 4.384 . 0 0 "[ . 1 . 2 ]" 1
70 1 19 ASP H 1 22 VAL QG 0.000 . 4.800 3.626 3.488 3.814 . 0 0 "[ . 1 . 2 ]" 1
71 1 19 ASP H 1 23 ALA MB 5.800 5.800 8.500 5.288 4.823 5.634 0.977 9 9 "[* *-. +1* *. * ** ]" 1
72 1 19 ASP QB 1 22 VAL H 0.000 . 4.000 2.917 2.751 2.998 . 0 0 "[ . 1 . 2 ]" 1
73 1 19 ASP QB 1 23 ALA H 0.000 . 5.000 4.336 4.146 4.589 . 0 0 "[ . 1 . 2 ]" 1
74 1 20 PRO HA 1 21 GLU H 0.000 . 4.000 3.523 3.506 3.541 . 0 0 "[ . 1 . 2 ]" 1
75 1 20 PRO HA 1 23 ALA H 0.000 . 4.000 3.533 3.392 3.648 . 0 0 "[ . 1 . 2 ]" 1
76 1 20 PRO HA 1 23 ALA MB 0.000 . 3.200 2.695 2.682 2.712 . 0 0 "[ . 1 . 2 ]" 1
77 1 20 PRO HB2 1 21 GLU H 0.000 . 3.200 3.029 2.911 3.271 0.071 21 0 "[ . 1 . 2 ]" 1
78 1 20 PRO QD 1 21 GLU H 0.000 . 4.700 2.716 2.511 3.011 . 0 0 "[ . 1 . 2 ]" 1
79 1 20 PRO QD 1 22 VAL QG 0.000 . 6.500 4.722 4.693 4.735 . 0 0 "[ . 1 . 2 ]" 1
80 1 21 GLU H 1 21 GLU HB2 0.000 . 2.700 2.498 2.419 2.618 . 0 0 "[ . 1 . 2 ]" 1
81 1 21 GLU H 1 22 VAL H 0.000 . 2.700 2.490 2.462 2.511 . 0 0 "[ . 1 . 2 ]" 1
82 1 21 GLU H 1 24 ALA H 0.000 . 5.000 4.940 4.852 5.012 0.012 6 0 "[ . 1 . 2 ]" 1
83 1 21 GLU H 1 60 THR MG 0.000 . 5.800 4.233 3.887 4.395 . 0 0 "[ . 1 . 2 ]" 1
84 1 21 GLU HA 1 22 VAL H 0.000 . 4.000 3.521 3.504 3.539 . 0 0 "[ . 1 . 2 ]" 1
85 1 21 GLU HA 1 23 ALA H 0.000 . 5.000 4.528 4.450 4.582 . 0 0 "[ . 1 . 2 ]" 1
86 1 21 GLU QB 1 22 VAL H 0.000 . 3.400 2.699 2.566 2.782 . 0 0 "[ . 1 . 2 ]" 1
87 1 21 GLU QB 1 24 ALA H 0.000 . 5.800 5.038 4.878 5.178 . 0 0 "[ . 1 . 2 ]" 1
88 1 21 GLU HB2 1 60 THR HB 0.000 . 5.000 4.910 4.138 5.075 0.075 1 0 "[ . 1 . 2 ]" 1
89 1 21 GLU HB2 1 60 THR MG 0.000 . 5.800 2.332 2.018 2.489 . 0 0 "[ . 1 . 2 ]" 1
90 1 21 GLU QG 1 25 ILE MD 0.000 . 7.500 4.803 4.141 5.134 . 0 0 "[ . 1 . 2 ]" 1
91 1 21 GLU QG 1 60 THR MG 0.000 . 6.500 3.869 3.612 4.062 . 0 0 "[ . 1 . 2 ]" 1
92 1 22 VAL H 1 22 VAL HB 0.000 . 2.700 2.526 2.442 2.563 . 0 0 "[ . 1 . 2 ]" 1
93 1 22 VAL H 1 22 VAL QG 0.000 . 3.400 2.006 1.972 2.101 . 0 0 "[ . 1 . 2 ]" 1
94 1 22 VAL H 1 23 ALA H 0.000 . 2.700 2.610 2.579 2.684 . 0 0 "[ . 1 . 2 ]" 1
95 1 22 VAL H 1 23 ALA MB 0.000 . 5.800 4.186 4.134 4.269 . 0 0 "[ . 1 . 2 ]" 1
96 1 22 VAL HA 1 23 ALA H 0.000 . 5.000 3.554 3.549 3.558 . 0 0 "[ . 1 . 2 ]" 1
97 1 22 VAL HA 1 25 ILE H 0.000 . 4.000 3.664 3.474 3.876 . 0 0 "[ . 1 . 2 ]" 1
98 1 22 VAL HA 1 25 ILE MD 0.000 . 4.800 2.789 2.370 3.182 . 0 0 "[ . 1 . 2 ]" 1
99 1 22 VAL HA 1 26 MET H 0.000 . 5.000 4.175 3.870 4.391 . 0 0 "[ . 1 . 2 ]" 1
100 1 22 VAL HA 1 60 THR MG 0.000 . 5.800 2.659 2.443 3.010 . 0 0 "[ . 1 . 2 ]" 1
101 1 22 VAL HB 1 23 ALA H 0.000 . 3.200 2.476 2.409 2.519 . 0 0 "[ . 1 . 2 ]" 1
102 1 22 VAL HB 1 24 ALA H 0.000 . 5.000 5.022 4.971 5.059 0.059 1 0 "[ . 1 . 2 ]" 1
103 1 22 VAL QG 1 23 ALA H 0.000 . 4.800 3.192 3.133 3.231 . 0 0 "[ . 1 . 2 ]" 1
104 1 22 VAL QG 1 24 ALA H 0.000 . 6.000 4.637 4.589 4.690 . 0 0 "[ . 1 . 2 ]" 1
105 1 22 VAL QG 1 60 THR MG 0.000 . 5.500 2.140 1.792 2.449 . 0 0 "[ . 1 . 2 ]" 1
106 1 22 VAL QG 1 64 ALA MB 0.000 . 4.900 2.241 1.942 2.706 . 0 0 "[ . 1 . 2 ]" 1
107 1 22 VAL QG 1 66 ILE MD 0.000 . 4.700 1.755 1.685 1.834 . 0 0 "[ . 1 . 2 ]" 1
108 1 23 ALA H 1 23 ALA MB 0.000 . 3.500 2.141 2.098 2.167 . 0 0 "[ . 1 . 2 ]" 1
109 1 23 ALA H 1 24 ALA H 0.000 . 2.700 2.764 2.754 2.790 0.090 9 0 "[ . 1 . 2 ]" 1
110 1 23 ALA H 1 60 THR MG 0.000 . 6.000 5.038 5.004 5.057 . 0 0 "[ . 1 . 2 ]" 1
111 1 23 ALA HA 1 24 ALA H 0.000 . 5.000 3.543 3.538 3.549 . 0 0 "[ . 1 . 2 ]" 1
112 1 23 ALA HA 1 27 GLN H 0.000 . 5.000 4.503 4.370 4.686 . 0 0 "[ . 1 . 2 ]" 1
113 1 24 ALA H 1 24 ALA MB 0.000 . 3.500 2.200 2.123 2.240 . 0 0 "[ . 1 . 2 ]" 1
114 1 24 ALA H 1 25 ILE HG13 0.000 . 5.000 4.223 4.155 4.282 . 0 0 "[ . 1 . 2 ]" 1
115 1 24 ALA HA 1 25 ILE H 0.000 . 4.000 3.563 3.546 3.575 . 0 0 "[ . 1 . 2 ]" 1
116 1 24 ALA HA 1 26 MET H 0.000 . 5.000 4.682 4.431 4.870 . 0 0 "[ . 1 . 2 ]" 1
117 1 24 ALA MB 1 25 ILE H 0.000 . 4.100 2.535 2.471 2.624 . 0 0 "[ . 1 . 2 ]" 1
118 1 25 ILE H 1 25 ILE HB 0.000 . 2.700 2.517 2.398 2.601 . 0 0 "[ . 1 . 2 ]" 1
119 1 25 ILE H 1 25 ILE MD 0.000 . 4.800 3.398 3.372 3.419 . 0 0 "[ . 1 . 2 ]" 1
120 1 25 ILE H 1 25 ILE MG 0.000 . 4.800 3.757 3.736 3.782 . 0 0 "[ . 1 . 2 ]" 1
121 1 25 ILE H 1 26 MET H 0.000 . 2.700 2.673 2.587 2.722 0.022 14 0 "[ . 1 . 2 ]" 1
122 1 25 ILE HA 1 26 MET H 0.000 . 4.000 3.566 3.536 3.580 . 0 0 "[ . 1 . 2 ]" 1
123 1 25 ILE HB 1 61 LEU QD 0.000 . 5.500 2.395 2.072 2.699 . 0 0 "[ . 1 . 2 ]" 1
124 1 25 ILE MD 1 57 LYS HA 0.000 . 4.000 2.012 1.857 2.527 . 0 0 "[ . 1 . 2 ]" 1
125 1 25 ILE MD 1 57 LYS QE 0.000 . 6.500 4.491 3.971 4.680 . 0 0 "[ . 1 . 2 ]" 1
126 1 25 ILE MD 1 57 LYS HG2 0.000 . 5.800 2.884 2.436 3.218 . 0 0 "[ . 1 . 2 ]" 1
127 1 25 ILE MD 1 60 THR HB 0.000 . 4.000 2.043 1.846 2.439 . 0 0 "[ . 1 . 2 ]" 1
128 1 25 ILE MD 1 61 LEU QD 0.000 . 4.700 2.529 1.874 2.932 . 0 0 "[ . 1 . 2 ]" 1
129 1 25 ILE HG13 1 26 MET H 0.000 . 5.000 4.196 4.009 4.342 . 0 0 "[ . 1 . 2 ]" 1
130 1 25 ILE HG13 1 57 LYS QE 0.000 . 5.700 4.645 3.307 5.111 . 0 0 "[ . 1 . 2 ]" 1
131 1 25 ILE HG13 1 57 LYS HG2 0.000 . 5.000 3.690 2.592 4.505 . 0 0 "[ . 1 . 2 ]" 1
132 1 25 ILE MG 1 26 MET H 0.000 . 4.800 3.517 3.322 3.686 . 0 0 "[ . 1 . 2 ]" 1
133 1 25 ILE MG 1 31 MET HB2 0.000 . 4.800 3.231 2.090 4.055 . 0 0 "[ . 1 . 2 ]" 1
134 1 25 ILE MG 1 31 MET ME 0.000 . 4.200 2.838 2.127 2.985 . 0 0 "[ . 1 . 2 ]" 1
135 1 25 ILE MG 1 31 MET QG 0.000 . 5.500 2.662 1.931 3.043 . 0 0 "[ . 1 . 2 ]" 1
136 1 25 ILE MG 1 61 LEU QD 0.000 . 4.200 2.193 1.707 2.629 . 0 0 "[ . 1 . 2 ]" 1
137 1 26 MET H 1 26 MET HB2 0.000 . 3.200 2.366 2.288 2.479 . 0 0 "[ . 1 . 2 ]" 1
138 1 26 MET H 1 26 MET HB3 0.000 . 4.000 3.580 3.559 3.603 . 0 0 "[ . 1 . 2 ]" 1
139 1 26 MET H 1 26 MET QG 0.000 . 3.400 2.400 2.117 2.552 . 0 0 "[ . 1 . 2 ]" 1
140 1 26 MET H 1 27 GLN H 0.000 . 2.700 2.691 2.656 2.724 0.024 9 0 "[ . 1 . 2 ]" 1
141 1 26 MET H 1 61 LEU QD 0.000 . 6.500 3.381 2.984 3.706 . 0 0 "[ . 1 . 2 ]" 1
142 1 26 MET HA 1 27 GLN H 0.000 . 4.000 3.504 3.417 3.543 . 0 0 "[ . 1 . 2 ]" 1
143 1 26 MET HB2 1 27 GLN H 0.000 . 3.200 2.935 2.729 3.282 0.082 5 0 "[ . 1 . 2 ]" 1
144 1 26 MET ME 1 61 LEU QD 0.000 . 4.200 2.479 2.101 2.616 . 0 0 "[ . 1 . 2 ]" 1
145 1 26 MET ME 1 66 ILE MD 0.000 . 4.700 2.163 1.699 3.063 . 0 0 "[ . 1 . 2 ]" 1
146 1 26 MET ME 1 66 ILE MG 0.000 . 4.200 2.006 1.778 2.486 . 0 0 "[ . 1 . 2 ]" 1
147 1 26 MET QG 1 61 LEU QD 0.000 . 5.500 2.328 1.720 2.843 . 0 0 "[ . 1 . 2 ]" 1
148 1 26 MET QG 1 66 ILE MD 0.000 . 5.500 3.462 3.054 3.891 . 0 0 "[ . 1 . 2 ]" 1
149 1 27 GLN H 1 27 GLN HE22 4.000 4.000 6.000 5.680 5.191 6.029 0.029 10 0 "[ . 1 . 2 ]" 1
150 1 27 GLN H 1 27 GLN QG 0.000 . 3.900 2.717 2.215 2.859 . 0 0 "[ . 1 . 2 ]" 1
151 1 27 GLN HA 1 28 ASP H 0.000 . 3.200 3.176 2.535 3.309 0.109 5 0 "[ . 1 . 2 ]" 1
152 1 27 GLN HB2 1 28 ASP H 0.000 . 4.000 3.629 3.195 3.734 . 0 0 "[ . 1 . 2 ]" 1
153 1 27 GLN HB3 1 28 ASP H 0.000 . 4.000 3.842 2.041 4.145 0.145 1 0 "[ . 1 . 2 ]" 1
154 1 27 GLN QG 1 28 ASP H 0.000 . 5.100 4.461 3.807 4.572 . 0 0 "[ . 1 . 2 ]" 1
155 1 28 ASP H 1 28 ASP HB2 0.000 . 3.500 2.824 2.462 3.506 0.006 21 0 "[ . 1 . 2 ]" 1
156 1 28 ASP H 1 28 ASP HB3 0.000 . 4.000 3.114 2.422 3.879 . 0 0 "[ . 1 . 2 ]" 1
157 1 28 ASP HB3 1 31 MET H 4.000 4.000 6.000 4.440 3.942 6.071 0.071 5 0 "[ . 1 . 2 ]" 1
158 1 29 PRO HA 1 31 MET H 0.000 . 5.000 4.425 3.965 4.924 . 0 0 "[ . 1 . 2 ]" 1
159 1 29 PRO HA 1 32 GLN H 0.000 . 4.000 3.782 3.354 4.045 0.045 8 0 "[ . 1 . 2 ]" 1
160 1 29 PRO QD 1 30 VAL H 0.000 . 5.700 2.720 2.592 3.138 . 0 0 "[ . 1 . 2 ]" 1
161 1 29 PRO QD 1 31 MET H 0.000 . 5.700 5.025 4.757 5.124 . 0 0 "[ . 1 . 2 ]" 1
162 1 30 VAL H 1 30 VAL HB 0.000 . 2.700 2.455 2.383 2.511 . 0 0 "[ . 1 . 2 ]" 1
163 1 30 VAL H 1 30 VAL MG1 0.000 . 4.800 3.752 3.740 3.761 . 0 0 "[ . 1 . 2 ]" 1
164 1 30 VAL H 1 30 VAL MG2 0.000 . 3.500 2.145 2.020 2.271 . 0 0 "[ . 1 . 2 ]" 1
165 1 30 VAL H 1 31 MET H 0.000 . 2.700 2.733 2.698 2.763 0.063 20 0 "[ . 1 . 2 ]" 1
166 1 30 VAL HA 1 31 MET H 0.000 . 4.000 3.566 3.527 3.582 . 0 0 "[ . 1 . 2 ]" 1
167 1 30 VAL HA 1 33 SER H 0.000 . 5.000 3.781 3.628 3.921 . 0 0 "[ . 1 . 2 ]" 1
168 1 30 VAL HB 1 31 MET H 0.000 . 2.700 2.556 2.435 2.734 0.034 9 0 "[ . 1 . 2 ]" 1
169 1 30 VAL MG1 1 31 MET H 0.000 . 4.000 3.335 3.285 3.371 . 0 0 "[ . 1 . 2 ]" 1
170 1 30 VAL MG1 1 34 ILE H 0.000 . 5.800 4.154 3.954 4.326 . 0 0 "[ . 1 . 2 ]" 1
171 1 30 VAL MG1 1 58 ILE MD 0.000 . 5.800 4.062 3.887 4.105 . 0 0 "[ . 1 . 2 ]" 1
172 1 30 VAL MG2 1 31 MET H 0.000 . 4.800 3.872 3.771 3.992 . 0 0 "[ . 1 . 2 ]" 1
173 1 31 MET H 1 31 MET HB2 0.000 . 2.700 2.282 2.212 2.420 . 0 0 "[ . 1 . 2 ]" 1
174 1 31 MET H 1 31 MET HB3 0.000 . 4.000 3.550 3.515 3.605 . 0 0 "[ . 1 . 2 ]" 1
175 1 31 MET H 1 31 MET QG 0.000 . 4.700 2.703 2.283 2.934 . 0 0 "[ . 1 . 2 ]" 1
176 1 31 MET H 1 32 GLN H 0.000 . 2.700 2.603 2.536 2.693 . 0 0 "[ . 1 . 2 ]" 1
177 1 31 MET H 1 33 SER H 0.000 . 5.000 4.274 4.156 4.367 . 0 0 "[ . 1 . 2 ]" 1
178 1 31 MET H 1 34 ILE MD 0.000 . 5.800 4.089 3.852 4.458 . 0 0 "[ . 1 . 2 ]" 1
179 1 31 MET HA 1 32 GLN H 0.000 . 5.000 3.538 3.517 3.562 . 0 0 "[ . 1 . 2 ]" 1
180 1 31 MET HA 1 34 ILE H 0.000 . 4.000 3.216 3.112 3.338 . 0 0 "[ . 1 . 2 ]" 1
181 1 31 MET HA 1 35 LEU H 0.000 . 5.000 4.105 3.943 4.266 . 0 0 "[ . 1 . 2 ]" 1
182 1 31 MET ME 1 61 LEU HG 0.000 . 4.000 2.647 2.038 3.393 . 0 0 "[ . 1 . 2 ]" 1
183 1 31 MET ME 1 62 ILE MD 0.000 . 6.800 4.540 4.162 4.733 . 0 0 "[ . 1 . 2 ]" 1
184 1 32 GLN H 1 32 GLN QB 0.000 . 3.400 2.304 2.222 2.475 . 0 0 "[ . 1 . 2 ]" 1
185 1 32 GLN H 1 32 GLN QG 0.000 . 4.700 3.321 2.025 4.055 . 0 0 "[ . 1 . 2 ]" 1
186 1 32 GLN H 1 33 SER H 0.000 . 4.000 2.772 2.741 2.794 . 0 0 "[ . 1 . 2 ]" 1
187 1 32 GLN QB 1 33 SER H 0.000 . 4.000 2.412 2.359 2.468 . 0 0 "[ . 1 . 2 ]" 1
188 1 32 GLN QG 1 33 SER H 0.000 . 5.700 3.810 3.640 4.018 . 0 0 "[ . 1 . 2 ]" 1
189 1 33 SER H 1 33 SER QB 0.000 . 3.200 2.424 2.252 2.556 . 0 0 "[ . 1 . 2 ]" 1
190 1 33 SER HA 1 34 ILE H 0.000 . 5.000 3.570 3.555 3.593 . 0 0 "[ . 1 . 2 ]" 1
191 1 33 SER QB 1 34 ILE H 0.000 . 3.900 2.752 2.453 3.482 . 0 0 "[ . 1 . 2 ]" 1
192 1 34 ILE H 1 34 ILE HB 0.000 . 2.700 2.615 2.585 2.645 . 0 0 "[ . 1 . 2 ]" 1
193 1 34 ILE H 1 34 ILE MD 0.000 . 4.800 3.404 3.373 3.449 . 0 0 "[ . 1 . 2 ]" 1
194 1 34 ILE H 1 34 ILE HG12 0.000 . 3.200 3.266 3.232 3.288 0.088 4 0 "[ . 1 . 2 ]" 1
195 1 34 ILE H 1 34 ILE HG13 0.000 . 2.700 1.913 1.895 1.931 . 0 0 "[ . 1 . 2 ]" 1
196 1 34 ILE H 1 34 ILE MG 0.000 . 4.800 3.766 3.754 3.778 . 0 0 "[ . 1 . 2 ]" 1
197 1 34 ILE H 1 35 LEU H 0.000 . 2.700 2.741 2.727 2.756 0.056 1 0 "[ . 1 . 2 ]" 1
198 1 34 ILE HA 1 35 LEU H 0.000 . 4.000 3.562 3.554 3.567 . 0 0 "[ . 1 . 2 ]" 1
199 1 34 ILE HA 1 37 GLN H 0.000 . 4.000 3.672 3.459 3.891 . 0 0 "[ . 1 . 2 ]" 1
200 1 34 ILE MD 1 35 LEU H 0.000 . 5.800 4.287 4.219 4.393 . 0 0 "[ . 1 . 2 ]" 1
201 1 34 ILE MD 1 48 HIS HB2 0.000 . 5.800 3.384 3.188 3.689 . 0 0 "[ . 1 . 2 ]" 1
202 1 34 ILE MD 1 48 HIS HB3 0.000 . 5.800 2.399 2.195 2.805 . 0 0 "[ . 1 . 2 ]" 1
203 1 34 ILE MD 1 54 VAL QG 0.000 . 4.200 1.804 1.698 1.869 . 0 0 "[ . 1 . 2 ]" 1
204 1 34 ILE HG12 1 54 VAL QG 0.000 . 5.800 3.301 2.715 3.607 . 0 0 "[ . 1 . 2 ]" 1
205 1 34 ILE MG 1 35 LEU H 0.000 . 4.800 3.516 3.480 3.553 . 0 0 "[ . 1 . 2 ]" 1
206 1 34 ILE MG 1 45 LEU HA 0.000 . 5.800 2.052 1.941 2.306 . 0 0 "[ . 1 . 2 ]" 1
207 1 34 ILE MG 1 45 LEU QD 0.000 . 5.500 3.443 3.431 3.451 . 0 0 "[ . 1 . 2 ]" 1
208 1 34 ILE MG 1 48 HIS HB2 0.000 . 5.800 2.448 2.312 2.884 . 0 0 "[ . 1 . 2 ]" 1
209 1 34 ILE MG 1 48 HIS HB3 0.000 . 5.800 2.628 2.402 3.019 . 0 0 "[ . 1 . 2 ]" 1
210 1 34 ILE MG 1 54 VAL QG 0.000 . 4.700 3.159 3.091 3.198 . 0 0 "[ . 1 . 2 ]" 1
211 1 34 ILE MG 1 58 ILE HG13 0.000 . 5.800 4.086 3.812 4.447 . 0 0 "[ . 1 . 2 ]" 1
212 1 35 LEU H 1 35 LEU HB2 0.000 . 2.700 2.517 2.471 2.561 . 0 0 "[ . 1 . 2 ]" 1
213 1 35 LEU H 1 35 LEU HB3 3.200 3.200 7.200 3.598 3.593 3.601 . 0 0 "[ . 1 . 2 ]" 1
214 1 35 LEU H 1 35 LEU MD1 0.000 . 4.800 3.411 3.392 3.513 . 0 0 "[ . 1 . 2 ]" 1
215 1 35 LEU H 1 35 LEU MD2 0.000 . 4.800 3.348 3.126 3.438 . 0 0 "[ . 1 . 2 ]" 1
216 1 35 LEU H 1 36 GLN H 0.000 . 3.200 2.831 2.789 2.891 . 0 0 "[ . 1 . 2 ]" 1
217 1 35 LEU H 1 37 GLN QB 0.000 . 5.700 5.107 5.095 5.124 . 0 0 "[ . 1 . 2 ]" 1
218 1 35 LEU HA 1 38 ALA H 0.000 . 4.000 3.601 3.471 3.790 . 0 0 "[ . 1 . 2 ]" 1
219 1 35 LEU HB2 1 36 GLN H 0.000 . 3.200 2.458 2.388 2.506 . 0 0 "[ . 1 . 2 ]" 1
220 1 35 LEU HB2 1 38 ALA H 0.000 . 5.800 5.589 5.486 5.692 . 0 0 "[ . 1 . 2 ]" 1
221 1 35 LEU HB3 1 36 GLN H 0.000 . 4.000 3.502 3.380 3.566 . 0 0 "[ . 1 . 2 ]" 1
222 1 36 GLN H 1 37 GLN H 0.000 . 3.200 2.818 2.791 2.844 . 0 0 "[ . 1 . 2 ]" 1
223 1 37 GLN H 1 37 GLN QB 0.000 . 3.400 2.337 2.206 2.407 . 0 0 "[ . 1 . 2 ]" 1
224 1 37 GLN H 1 37 GLN QG 0.000 . 4.700 2.566 2.127 4.053 . 0 0 "[ . 1 . 2 ]" 1
225 1 37 GLN H 1 38 ALA H 0.000 . 2.700 2.704 2.683 2.728 0.028 11 0 "[ . 1 . 2 ]" 1
226 1 37 GLN H 1 38 ALA MB 0.000 . 5.800 4.346 4.306 4.384 . 0 0 "[ . 1 . 2 ]" 1
227 1 37 GLN HA 1 38 ALA H 0.000 . 4.000 3.550 3.535 3.557 . 0 0 "[ . 1 . 2 ]" 1
228 1 37 GLN QB 1 38 ALA H 0.000 . 3.400 2.625 2.563 2.669 . 0 0 "[ . 1 . 2 ]" 1
229 1 38 ALA H 1 38 ALA MB 0.000 . 3.500 2.202 2.152 2.233 . 0 0 "[ . 1 . 2 ]" 1
230 1 38 ALA H 1 39 GLN H 0.000 . 2.700 2.725 2.711 2.736 0.036 1 0 "[ . 1 . 2 ]" 1
231 1 38 ALA HA 1 45 LEU QD 0.000 . 6.500 3.692 3.459 4.118 . 0 0 "[ . 1 . 2 ]" 1
232 1 38 ALA MB 1 39 GLN H 0.000 . 4.000 2.694 2.643 2.755 . 0 0 "[ . 1 . 2 ]" 1
233 1 38 ALA MB 1 41 ASN H 0.000 . 5.800 4.374 4.267 4.517 . 0 0 "[ . 1 . 2 ]" 1
234 1 39 GLN H 1 39 GLN QB 0.000 . 3.400 2.341 2.248 2.430 . 0 0 "[ . 1 . 2 ]" 1
235 1 39 GLN H 1 39 GLN QG 0.000 . 4.700 2.952 2.123 4.053 . 0 0 "[ . 1 . 2 ]" 1
236 1 39 GLN HA 1 41 ASN H 0.000 . 5.000 4.231 4.077 4.364 . 0 0 "[ . 1 . 2 ]" 1
237 1 40 GLN H 1 40 GLN HB2 0.000 . 2.700 2.444 2.424 2.464 . 0 0 "[ . 1 . 2 ]" 1
238 1 40 GLN H 1 41 ASN H 0.000 . 3.200 2.574 2.511 2.623 . 0 0 "[ . 1 . 2 ]" 1
239 1 40 GLN HB2 1 41 ASN H 0.000 . 3.200 2.876 2.744 3.064 . 0 0 "[ . 1 . 2 ]" 1
240 1 40 GLN HB3 1 41 ASN H 0.000 . 4.000 3.842 3.732 3.972 . 0 0 "[ . 1 . 2 ]" 1
241 1 40 GLN QG 1 41 ASN H 0.000 . 5.000 4.128 4.059 4.200 . 0 0 "[ . 1 . 2 ]" 1
242 1 41 ASN H 1 41 ASN HB2 0.000 . 3.200 3.220 3.195 3.231 0.031 18 0 "[ . 1 . 2 ]" 1
243 1 41 ASN H 1 41 ASN HB3 0.000 . 3.200 3.200 3.108 3.224 0.024 15 0 "[ . 1 . 2 ]" 1
244 1 41 ASN HA 1 43 ALA H 0.000 . 4.000 3.897 3.683 4.016 0.016 15 0 "[ . 1 . 2 ]" 1
245 1 41 ASN HD21 1 44 ALA MB 5.800 5.800 8.800 6.107 5.619 6.409 0.181 11 0 "[ . 1 . 2 ]" 1
246 1 41 ASN HD22 1 44 ALA MB 5.800 5.800 8.800 6.420 5.874 6.795 . 0 0 "[ . 1 . 2 ]" 1
247 1 42 PRO HA 1 43 ALA H 0.000 . 5.000 3.467 3.422 3.519 . 0 0 "[ . 1 . 2 ]" 1
248 1 42 PRO HB2 1 43 ALA H 0.000 . 4.000 3.647 3.352 3.818 . 0 0 "[ . 1 . 2 ]" 1
249 1 42 PRO HB3 1 43 ALA H 0.000 . 5.000 4.364 4.218 4.439 . 0 0 "[ . 1 . 2 ]" 1
250 1 42 PRO QD 1 43 ALA H 0.000 . 5.700 2.757 2.591 2.931 . 0 0 "[ . 1 . 2 ]" 1
251 1 42 PRO QG 1 43 ALA H 0.000 . 3.900 2.873 2.589 3.047 . 0 0 "[ . 1 . 2 ]" 1
252 1 43 ALA H 1 43 ALA MB 0.000 . 3.500 2.221 2.110 2.248 . 0 0 "[ . 1 . 2 ]" 1
253 1 44 ALA H 1 44 ALA MB 0.000 . 3.500 2.217 2.138 2.250 . 0 0 "[ . 1 . 2 ]" 1
254 1 44 ALA H 1 45 LEU H 0.000 . 3.200 2.783 2.677 2.964 . 0 0 "[ . 1 . 2 ]" 1
255 1 44 ALA HA 1 45 LEU H 0.000 . 4.000 3.571 3.522 3.594 . 0 0 "[ . 1 . 2 ]" 1
256 1 44 ALA MB 1 45 LEU H 0.000 . 3.400 2.465 2.285 2.775 . 0 0 "[ . 1 . 2 ]" 1
257 1 45 LEU H 1 45 LEU QB 0.000 . 3.400 2.626 2.255 2.806 . 0 0 "[ . 1 . 2 ]" 1
258 1 45 LEU HA 1 48 HIS H 0.000 . 4.000 3.398 3.311 3.551 . 0 0 "[ . 1 . 2 ]" 1
259 1 45 LEU HB2 1 46 GLN H 2.700 2.700 5.900 3.917 3.802 4.080 . 0 0 "[ . 1 . 2 ]" 1
260 1 46 GLN H 1 46 GLN QB 0.000 . 3.400 2.372 2.228 2.517 . 0 0 "[ . 1 . 2 ]" 1
261 1 46 GLN H 1 46 GLN QG 0.000 . 4.700 2.893 2.068 4.059 . 0 0 "[ . 1 . 2 ]" 1
262 1 47 GLU H 1 47 GLU HB3 0.000 . 2.700 2.621 2.559 2.650 . 0 0 "[ . 1 . 2 ]" 1
263 1 47 GLU H 1 47 GLU QG 0.000 . 3.400 2.011 2.004 2.032 . 0 0 "[ . 1 . 2 ]" 1
264 1 47 GLU HA 1 48 HIS H 0.000 . 4.000 3.481 3.471 3.495 . 0 0 "[ . 1 . 2 ]" 1
265 1 47 GLU HA 1 51 ASN H 0.000 . 5.000 4.390 3.902 4.717 . 0 0 "[ . 1 . 2 ]" 1
266 1 47 GLU HB2 1 48 HIS H 0.000 . 4.000 3.901 3.875 3.951 . 0 0 "[ . 1 . 2 ]" 1
267 1 47 GLU HB3 1 48 HIS H 0.000 . 4.000 4.095 4.064 4.102 0.102 2 0 "[ . 1 . 2 ]" 1
268 1 47 GLU QG 1 48 HIS H 0.000 . 4.000 2.181 2.126 2.298 . 0 0 "[ . 1 . 2 ]" 1
269 1 48 HIS H 1 48 HIS HB2 0.000 . 2.700 2.222 2.172 2.247 . 0 0 "[ . 1 . 2 ]" 1
270 1 48 HIS H 1 48 HIS HB3 0.000 . 4.000 3.524 3.491 3.544 . 0 0 "[ . 1 . 2 ]" 1
271 1 48 HIS H 1 49 MET H 0.000 . 2.700 2.657 2.619 2.707 0.007 21 0 "[ . 1 . 2 ]" 1
272 1 48 HIS HA 1 49 MET H 0.000 . 5.000 3.567 3.559 3.575 . 0 0 "[ . 1 . 2 ]" 1
273 1 48 HIS HA 1 50 LYS H 0.000 . 5.000 4.221 4.024 4.333 . 0 0 "[ . 1 . 2 ]" 1
274 1 48 HIS HA 1 51 ASN H 0.000 . 5.000 3.423 3.166 3.676 . 0 0 "[ . 1 . 2 ]" 1
275 1 48 HIS HA 1 54 VAL QG 0.000 . 5.800 2.986 2.798 3.110 . 0 0 "[ . 1 . 2 ]" 1
276 1 48 HIS HB2 1 49 MET H 0.000 . 4.000 2.742 2.695 2.781 . 0 0 "[ . 1 . 2 ]" 1
277 1 48 HIS HB2 1 50 LYS H 0.000 . 5.000 4.997 4.917 5.031 0.031 18 0 "[ . 1 . 2 ]" 1
278 1 48 HIS HB2 1 54 VAL QG 0.000 . 4.800 3.282 3.236 3.338 . 0 0 "[ . 1 . 2 ]" 1
279 1 48 HIS HB2 1 58 ILE MD 0.000 . 5.800 4.020 3.760 4.302 . 0 0 "[ . 1 . 2 ]" 1
280 1 48 HIS HB3 1 49 MET H 0.000 . 5.000 3.318 3.190 3.406 . 0 0 "[ . 1 . 2 ]" 1
281 1 48 HIS HB3 1 54 VAL QG 0.000 . 4.800 1.878 1.851 1.918 . 0 0 "[ . 1 . 2 ]" 1
282 1 48 HIS HB3 1 58 ILE HB 0.000 . 5.500 5.608 5.548 5.646 0.146 5 0 "[ . 1 . 2 ]" 1
283 1 48 HIS HB3 1 58 ILE MD 0.000 . 5.800 3.384 3.192 3.620 . 0 0 "[ . 1 . 2 ]" 1
284 1 49 MET H 1 49 MET HB2 0.000 . 2.700 2.405 2.389 2.454 . 0 0 "[ . 1 . 2 ]" 1
285 1 49 MET H 1 49 MET HB3 0.000 . 2.700 2.668 2.604 2.687 . 0 0 "[ . 1 . 2 ]" 1
286 1 49 MET H 1 49 MET QG 0.000 . 4.700 3.934 3.927 3.940 . 0 0 "[ . 1 . 2 ]" 1
287 1 49 MET H 1 50 LYS H 0.000 . 3.200 2.620 2.603 2.639 . 0 0 "[ . 1 . 2 ]" 1
288 1 49 MET H 1 58 ILE MD 0.000 . 5.800 4.899 4.882 4.917 . 0 0 "[ . 1 . 2 ]" 1
289 1 49 MET H 1 58 ILE MG 0.000 . 5.800 4.757 4.591 4.841 . 0 0 "[ . 1 . 2 ]" 1
290 1 49 MET ME 1 58 ILE MG 0.000 . 4.700 2.578 1.844 3.260 . 0 0 "[ . 1 . 2 ]" 1
291 1 49 MET ME 1 62 ILE MD 0.000 . 4.700 3.095 2.398 3.263 . 0 0 "[ . 1 . 2 ]" 1
292 1 49 MET HG3 1 55 PHE QD 0.000 . 5.700 3.057 2.262 3.618 . 0 0 "[ . 1 . 2 ]" 1
293 1 49 MET HG3 1 58 ILE MD 0.000 . 6.500 4.978 4.656 5.419 . 0 0 "[ . 1 . 2 ]" 1
294 1 49 MET HG3 1 58 ILE MG 0.000 . 6.500 3.132 2.798 3.650 . 0 0 "[ . 1 . 2 ]" 1
295 1 50 LYS H 1 50 LYS HB2 0.000 . 2.700 2.432 2.413 2.491 . 0 0 "[ . 1 . 2 ]" 1
296 1 50 LYS H 1 50 LYS HB3 0.000 . 4.000 3.600 3.596 3.607 . 0 0 "[ . 1 . 2 ]" 1
297 1 50 LYS H 1 50 LYS QG 0.000 . 3.900 2.274 2.146 2.313 . 0 0 "[ . 1 . 2 ]" 1
298 1 50 LYS H 1 51 ASN H 0.000 . 3.200 2.501 2.476 2.578 . 0 0 "[ . 1 . 2 ]" 1
299 1 51 ASN H 1 51 ASN HB2 0.000 . 3.200 2.202 2.176 2.228 . 0 0 "[ . 1 . 2 ]" 1
300 1 51 ASN H 1 51 ASN HB3 0.000 . 3.200 2.904 2.876 2.934 . 0 0 "[ . 1 . 2 ]" 1
301 1 51 ASN H 1 54 VAL QG 5.800 5.800 8.500 4.318 4.273 4.469 1.527 1 21 [+*******************-] 1
302 1 51 ASN HA 1 53 GLU H 0.000 . 6.800 4.430 4.296 4.544 . 0 0 "[ . 1 . 2 ]" 1
303 1 51 ASN HB3 1 54 VAL H 0.000 . 5.000 2.797 2.476 2.911 . 0 0 "[ . 1 . 2 ]" 1
304 1 52 PRO HA 1 53 GLU H 0.000 . 4.000 3.573 3.562 3.585 . 0 0 "[ . 1 . 2 ]" 1
305 1 52 PRO HA 1 54 VAL H 0.000 . 5.000 4.594 4.418 4.725 . 0 0 "[ . 1 . 2 ]" 1
306 1 52 PRO HA 1 55 PHE H 0.000 . 4.000 3.537 3.373 3.720 . 0 0 "[ . 1 . 2 ]" 1
307 1 52 PRO HD3 1 53 GLU H 0.000 . 5.500 3.922 3.795 4.058 . 0 0 "[ . 1 . 2 ]" 1
308 1 53 GLU H 1 53 GLU HB2 0.000 . 2.700 2.490 2.458 2.534 . 0 0 "[ . 1 . 2 ]" 1
309 1 53 GLU H 1 53 GLU QG 0.000 . 4.700 3.963 3.955 3.965 . 0 0 "[ . 1 . 2 ]" 1
310 1 53 GLU H 1 54 VAL H 0.000 . 2.700 2.505 2.487 2.584 . 0 0 "[ . 1 . 2 ]" 1
311 1 53 GLU H 1 54 VAL QG 0.000 . 4.800 3.965 3.953 3.988 . 0 0 "[ . 1 . 2 ]" 1
312 1 53 GLU HA 1 54 VAL H 0.000 . 5.000 3.536 3.516 3.548 . 0 0 "[ . 1 . 2 ]" 1
313 1 53 GLU HB3 1 54 VAL H 0.000 . 2.700 2.605 2.523 2.733 0.033 9 0 "[ . 1 . 2 ]" 1
314 1 53 GLU HB3 1 55 PHE H 0.000 . 5.000 4.829 4.785 4.935 . 0 0 "[ . 1 . 2 ]" 1
315 1 54 VAL H 1 54 VAL HB 0.000 . 2.700 2.496 2.480 2.521 . 0 0 "[ . 1 . 2 ]" 1
316 1 54 VAL H 1 54 VAL QG 0.000 . 3.500 2.258 2.162 2.296 . 0 0 "[ . 1 . 2 ]" 1
317 1 54 VAL H 1 55 PHE H 0.000 . 2.700 2.408 2.375 2.462 . 0 0 "[ . 1 . 2 ]" 1
318 1 54 VAL HA 1 55 PHE H 0.000 . 5.000 3.533 3.523 3.540 . 0 0 "[ . 1 . 2 ]" 1
319 1 54 VAL HB 1 55 PHE H 0.000 . 3.200 2.811 2.729 2.850 . 0 0 "[ . 1 . 2 ]" 1
320 1 54 VAL QG 1 55 PHE H 0.000 . 4.800 3.369 3.327 3.392 . 0 0 "[ . 1 . 2 ]" 1
321 1 55 PHE H 1 55 PHE HB2 0.000 . 3.200 2.513 2.439 2.607 . 0 0 "[ . 1 . 2 ]" 1
322 1 55 PHE H 1 55 PHE HB3 0.000 . 2.700 2.495 2.391 2.584 . 0 0 "[ . 1 . 2 ]" 1
323 1 55 PHE H 1 55 PHE QD 0.000 . 5.700 4.204 4.190 4.212 . 0 0 "[ . 1 . 2 ]" 1
324 1 55 PHE H 1 56 LYS H 0.000 . 4.000 2.921 2.906 2.981 . 0 0 "[ . 1 . 2 ]" 1
325 1 55 PHE HB2 1 56 LYS H 0.000 . 4.000 3.840 3.782 3.915 . 0 0 "[ . 1 . 2 ]" 1
326 1 55 PHE HB3 1 56 LYS H 0.000 . 3.200 2.461 2.365 2.540 . 0 0 "[ . 1 . 2 ]" 1
327 1 56 LYS H 1 56 LYS QB 0.000 . 3.400 2.357 2.229 2.581 . 0 0 "[ . 1 . 2 ]" 1
328 1 56 LYS H 1 57 LYS H 0.000 . 3.200 2.756 2.701 2.795 . 0 0 "[ . 1 . 2 ]" 1
329 1 57 LYS H 1 57 LYS HB2 0.000 . 2.700 2.331 2.275 2.386 . 0 0 "[ . 1 . 2 ]" 1
330 1 57 LYS H 1 57 LYS HB3 0.000 . 4.000 3.564 3.551 3.577 . 0 0 "[ . 1 . 2 ]" 1
331 1 57 LYS H 1 57 LYS QD 0.000 . 4.700 3.906 3.802 3.972 . 0 0 "[ . 1 . 2 ]" 1
332 1 57 LYS H 1 57 LYS HG3 0.000 . 4.000 2.449 2.314 2.596 . 0 0 "[ . 1 . 2 ]" 1
333 1 57 LYS H 1 58 ILE H 0.000 . 2.700 2.725 2.712 2.751 0.051 1 0 "[ . 1 . 2 ]" 1
334 1 57 LYS HA 1 58 ILE H 0.000 . 4.000 3.556 3.542 3.561 . 0 0 "[ . 1 . 2 ]" 1
335 1 57 LYS HB3 1 58 ILE H 0.000 . 3.200 3.282 3.252 3.306 0.106 6 0 "[ . 1 . 2 ]" 1
336 1 58 ILE H 1 58 ILE HB 0.000 . 2.700 2.572 2.501 2.648 . 0 0 "[ . 1 . 2 ]" 1
337 1 58 ILE H 1 58 ILE MD 0.000 . 5.000 3.314 3.113 3.466 . 0 0 "[ . 1 . 2 ]" 1
338 1 58 ILE H 1 58 ILE HG12 0.000 . 3.200 1.973 1.919 2.027 . 0 0 "[ . 1 . 2 ]" 1
339 1 58 ILE H 1 58 ILE HG13 0.000 . 4.000 3.415 3.335 3.472 . 0 0 "[ . 1 . 2 ]" 1
340 1 58 ILE H 1 58 ILE MG 0.000 . 4.800 3.764 3.750 3.769 . 0 0 "[ . 1 . 2 ]" 1
341 1 58 ILE H 1 61 LEU H 0.000 . 5.500 5.361 5.277 5.404 . 0 0 "[ . 1 . 2 ]" 1
342 1 58 ILE HA 1 59 GLN H 0.000 . 5.000 3.567 3.557 3.576 . 0 0 "[ . 1 . 2 ]" 1
343 1 58 ILE HA 1 61 LEU H 0.000 . 4.000 3.996 3.946 4.036 0.036 18 0 "[ . 1 . 2 ]" 1
344 1 58 ILE HA 1 62 ILE H 0.000 . 5.000 4.654 4.479 4.791 . 0 0 "[ . 1 . 2 ]" 1
345 1 58 ILE HA 1 67 ILE MD 0.000 . 5.000 4.054 3.644 4.188 . 0 0 "[ . 1 . 2 ]" 1
346 1 58 ILE HG12 1 59 GLN H 0.000 . 5.000 4.142 4.077 4.230 . 0 0 "[ . 1 . 2 ]" 1
347 1 58 ILE MG 1 59 GLN H 0.000 . 4.800 3.407 3.323 3.502 . 0 0 "[ . 1 . 2 ]" 1
348 1 59 GLN H 1 59 GLN QB 0.000 . 3.400 2.360 2.304 2.419 . 0 0 "[ . 1 . 2 ]" 1
349 1 59 GLN H 1 60 THR H 0.000 . 3.200 2.804 2.771 2.841 . 0 0 "[ . 1 . 2 ]" 1
350 1 59 GLN HA 1 62 ILE H 0.000 . 4.000 3.698 3.483 3.879 . 0 0 "[ . 1 . 2 ]" 1
351 1 59 GLN HA 1 63 ALA H 0.000 . 5.000 4.019 3.891 4.115 . 0 0 "[ . 1 . 2 ]" 1
352 1 59 GLN QG 1 60 THR H 0.000 . 5.000 4.175 4.131 4.219 . 0 0 "[ . 1 . 2 ]" 1
353 1 60 THR H 1 60 THR HA 0.000 . 2.700 2.764 2.758 2.778 0.078 1 0 "[ . 1 . 2 ]" 1
354 1 60 THR H 1 60 THR HB 0.000 . 2.700 2.713 2.681 2.731 0.031 9 0 "[ . 1 . 2 ]" 1
355 1 60 THR H 1 60 THR MG 0.000 . 4.800 3.745 3.736 3.759 . 0 0 "[ . 1 . 2 ]" 1
356 1 60 THR H 1 61 LEU H 0.000 . 2.900 2.954 2.931 2.969 0.069 21 0 "[ . 1 . 2 ]" 1
357 1 60 THR HA 1 63 ALA H 0.000 . 5.000 3.961 3.873 4.046 . 0 0 "[ . 1 . 2 ]" 1
358 1 60 THR HB 1 61 LEU H 0.000 . 3.200 2.425 2.366 2.478 . 0 0 "[ . 1 . 2 ]" 1
359 1 61 LEU H 1 61 LEU HA 0.000 . 3.000 2.855 2.843 2.862 . 0 0 "[ . 1 . 2 ]" 1
360 1 61 LEU H 1 61 LEU HB2 0.000 . 2.700 2.601 2.537 2.643 . 0 0 "[ . 1 . 2 ]" 1
361 1 61 LEU H 1 61 LEU HB3 0.000 . 4.000 3.646 3.633 3.656 . 0 0 "[ . 1 . 2 ]" 1
362 1 61 LEU H 1 61 LEU MD1 0.000 . 4.800 3.762 3.668 3.821 . 0 0 "[ . 1 . 2 ]" 1
363 1 61 LEU H 1 61 LEU MD2 0.000 . 4.800 2.946 2.839 3.054 . 0 0 "[ . 1 . 2 ]" 1
364 1 61 LEU H 1 62 ILE H 0.000 . 3.200 2.641 2.614 2.691 . 0 0 "[ . 1 . 2 ]" 1
365 1 61 LEU H 1 62 ILE HB 0.000 . 5.000 4.915 4.882 4.961 . 0 0 "[ . 1 . 2 ]" 1
366 1 61 LEU HA 1 62 ILE H 0.000 . 5.000 3.534 3.522 3.548 . 0 0 "[ . 1 . 2 ]" 1
367 1 61 LEU HA 1 64 ALA H 0.000 . 4.000 3.362 3.233 3.640 . 0 0 "[ . 1 . 2 ]" 1
368 1 61 LEU HB2 1 62 ILE H 0.000 . 4.000 2.845 2.707 2.926 . 0 0 "[ . 1 . 2 ]" 1
369 1 61 LEU HB2 1 66 ILE HG12 0.000 . 6.500 6.560 6.514 6.591 0.091 20 0 "[ . 1 . 2 ]" 1
370 1 61 LEU HB2 1 67 ILE MD 0.000 . 5.000 2.035 1.880 2.371 . 0 0 "[ . 1 . 2 ]" 1
371 1 61 LEU HB2 1 67 ILE HG13 0.000 . 5.000 3.411 3.163 3.660 . 0 0 "[ . 1 . 2 ]" 1
372 1 61 LEU HB2 1 67 ILE MG 0.000 . 5.800 4.560 4.340 4.756 . 0 0 "[ . 1 . 2 ]" 1
373 1 61 LEU HB3 1 62 ILE H 0.000 . 5.000 3.895 3.820 3.942 . 0 0 "[ . 1 . 2 ]" 1
374 1 61 LEU HB3 1 66 ILE HG12 0.000 . 5.000 4.908 4.842 5.007 0.007 5 0 "[ . 1 . 2 ]" 1
375 1 61 LEU HB3 1 67 ILE MD 0.000 . 5.800 2.475 2.250 2.716 . 0 0 "[ . 1 . 2 ]" 1
376 1 61 LEU HB3 1 67 ILE HG13 0.000 . 5.000 2.599 2.415 2.796 . 0 0 "[ . 1 . 2 ]" 1
377 1 61 LEU HB3 1 67 ILE MG 0.000 . 5.800 4.847 4.685 4.897 . 0 0 "[ . 1 . 2 ]" 1
378 1 61 LEU QD 1 66 ILE HB 0.000 . 6.500 3.132 2.899 3.305 . 0 0 "[ . 1 . 2 ]" 1
379 1 61 LEU QD 1 66 ILE MD 0.000 . 6.500 1.848 1.761 2.023 . 0 0 "[ . 1 . 2 ]" 1
380 1 61 LEU QD 1 66 ILE HG12 0.000 . 6.500 4.248 4.095 4.498 . 0 0 "[ . 1 . 2 ]" 1
381 1 61 LEU QD 1 66 ILE HG13 0.000 . 5.500 3.804 3.539 4.086 . 0 0 "[ . 1 . 2 ]" 1
382 1 61 LEU QD 1 66 ILE MG 0.000 . 6.500 3.038 2.831 3.262 . 0 0 "[ . 1 . 2 ]" 1
383 1 62 ILE H 1 62 ILE HB 0.000 . 3.200 2.530 2.497 2.541 . 0 0 "[ . 1 . 2 ]" 1
384 1 62 ILE H 1 62 ILE HG12 0.000 . 4.000 3.413 3.389 3.462 . 0 0 "[ . 1 . 2 ]" 1
385 1 62 ILE H 1 62 ILE HG13 0.000 . 2.700 2.041 2.014 2.094 . 0 0 "[ . 1 . 2 ]" 1
386 1 62 ILE H 1 62 ILE MG 0.000 . 4.500 3.762 3.757 3.770 . 0 0 "[ . 1 . 2 ]" 1
387 1 62 ILE H 1 63 ALA H 0.000 . 2.700 2.727 2.708 2.748 0.048 1 0 "[ . 1 . 2 ]" 1
388 1 62 ILE H 1 64 ALA H 0.000 . 5.000 3.878 3.846 3.949 . 0 0 "[ . 1 . 2 ]" 1
389 1 62 ILE HA 1 67 ILE H 0.000 . 5.000 2.883 2.516 3.261 . 0 0 "[ . 1 . 2 ]" 1
390 1 62 ILE HA 1 67 ILE HB 0.000 . 4.000 3.101 2.448 3.602 . 0 0 "[ . 1 . 2 ]" 1
391 1 62 ILE HB 1 63 ALA H 0.000 . 2.700 2.423 2.355 2.503 . 0 0 "[ . 1 . 2 ]" 1
392 1 62 ILE MD 1 63 ALA H 0.000 . 5.200 4.269 4.192 4.354 . 0 0 "[ . 1 . 2 ]" 1
393 1 62 ILE MD 1 69 THR MG 0.000 . 5.500 2.831 1.871 3.862 . 0 0 "[ . 1 . 2 ]" 1
394 1 62 ILE HG12 1 67 ILE H 0.000 . 5.000 4.517 3.971 4.814 . 0 0 "[ . 1 . 2 ]" 1
395 1 62 ILE HG13 1 63 ALA H 0.000 . 4.200 4.156 4.115 4.201 0.001 11 0 "[ . 1 . 2 ]" 1
396 1 62 ILE HG13 1 67 ILE HB 0.000 . 5.000 3.435 2.826 3.841 . 0 0 "[ . 1 . 2 ]" 1
397 1 62 ILE MG 1 63 ALA H 0.000 . 4.800 3.341 3.246 3.400 . 0 0 "[ . 1 . 2 ]" 1
398 1 62 ILE MG 1 69 THR MG 0.000 . 5.500 2.824 1.832 3.815 . 0 0 "[ . 1 . 2 ]" 1
399 1 63 ALA H 1 63 ALA HA 0.000 . 2.700 2.792 2.783 2.798 0.098 16 0 "[ . 1 . 2 ]" 1
400 1 63 ALA H 1 63 ALA MB 0.000 . 3.500 2.201 2.158 2.232 . 0 0 "[ . 1 . 2 ]" 1
401 1 63 ALA H 1 64 ALA H 0.000 . 2.700 2.690 2.631 2.729 0.029 9 0 "[ . 1 . 2 ]" 1
402 1 64 ALA H 1 64 ALA MB 0.000 . 2.700 2.143 2.101 2.238 . 0 0 "[ . 1 . 2 ]" 1
403 1 64 ALA H 1 65 GLY H 0.000 . 2.700 2.655 2.612 2.706 0.006 12 0 "[ . 1 . 2 ]" 1
404 1 64 ALA MB 1 65 GLY H 0.000 . 4.800 3.268 3.195 3.349 . 0 0 "[ . 1 . 2 ]" 1
405 1 64 ALA MB 1 66 ILE H 0.000 . 5.500 3.057 2.936 3.177 . 0 0 "[ . 1 . 2 ]" 1
406 1 64 ALA MB 1 66 ILE HG13 0.000 . 4.800 1.974 1.891 2.121 . 0 0 "[ . 1 . 2 ]" 1
407 1 65 GLY H 1 65 GLY HA2 0.000 . 2.700 2.294 2.288 2.297 . 0 0 "[ . 1 . 2 ]" 1
408 1 65 GLY HA2 1 66 ILE H 0.000 . 4.000 3.035 2.971 3.088 . 0 0 "[ . 1 . 2 ]" 1
409 1 66 ILE H 1 66 ILE HB 0.000 . 3.200 2.663 2.585 2.689 . 0 0 "[ . 1 . 2 ]" 1
410 1 66 ILE H 1 66 ILE MD 0.000 . 5.800 3.589 3.512 3.690 . 0 0 "[ . 1 . 2 ]" 1
411 1 66 ILE H 1 66 ILE HG12 0.000 . 5.000 3.367 3.267 3.500 . 0 0 "[ . 1 . 2 ]" 1
412 1 66 ILE H 1 66 ILE HG13 0.000 . 2.700 2.092 2.037 2.183 . 0 0 "[ . 1 . 2 ]" 1
413 1 66 ILE H 1 66 ILE MG 0.000 . 4.800 3.803 3.782 3.820 . 0 0 "[ . 1 . 2 ]" 1
414 1 66 ILE H 1 67 ILE H 0.000 . 2.700 2.299 2.230 2.669 . 0 0 "[ . 1 . 2 ]" 1
415 1 66 ILE HA 1 67 ILE H 0.000 . 5.000 3.499 3.460 3.582 . 0 0 "[ . 1 . 2 ]" 1
416 1 66 ILE HB 1 67 ILE H 0.000 . 4.000 2.926 2.080 3.123 . 0 0 "[ . 1 . 2 ]" 1
417 1 66 ILE HG13 1 67 ILE H 0.000 . 4.000 4.041 3.982 4.075 0.075 12 0 "[ . 1 . 2 ]" 1
418 1 67 ILE H 1 67 ILE HB 0.000 . 2.700 2.730 2.591 2.773 0.073 18 0 "[ . 1 . 2 ]" 1
419 1 67 ILE H 1 67 ILE HG13 0.000 . 3.200 2.781 2.184 2.886 . 0 0 "[ . 1 . 2 ]" 1
420 1 67 ILE H 1 67 ILE MG 0.000 . 4.800 3.894 3.798 3.919 . 0 0 "[ . 1 . 2 ]" 1
421 1 67 ILE H 1 68 ARG H 0.000 . 5.000 4.393 4.338 4.512 . 0 0 "[ . 1 . 2 ]" 1
422 1 67 ILE HA 1 68 ARG H 0.000 . 2.700 2.219 2.124 2.375 . 0 0 "[ . 1 . 2 ]" 1
423 1 67 ILE HB 1 68 ARG H 0.000 . 4.000 3.973 3.661 4.036 0.036 6 0 "[ . 1 . 2 ]" 1
424 1 67 ILE HG13 1 68 ARG H 0.000 . 5.000 4.994 4.907 5.030 0.030 17 0 "[ . 1 . 2 ]" 1
425 1 67 ILE MG 1 68 ARG H 0.000 . 3.200 2.333 1.965 2.455 . 0 0 "[ . 1 . 2 ]" 1
426 1 68 ARG H 1 68 ARG HB2 0.000 . 3.200 2.608 2.435 3.301 0.101 11 0 "[ . 1 . 2 ]" 1
427 1 68 ARG H 1 68 ARG QD 0.000 . 5.700 4.279 3.860 4.969 . 0 0 "[ . 1 . 2 ]" 1
428 1 68 ARG H 1 68 ARG QG 0.000 . 4.700 2.675 2.487 3.073 . 0 0 "[ . 1 . 2 ]" 1
429 1 68 ARG HA 1 69 THR H 0.000 . 4.000 2.345 2.145 3.571 . 0 0 "[ . 1 . 2 ]" 1
430 1 68 ARG QG 1 69 THR H 0.000 . 5.800 4.163 3.944 4.638 . 0 0 "[ . 1 . 2 ]" 1
431 1 69 THR H 1 69 THR MG 0.000 . 4.800 2.675 2.016 3.352 . 0 0 "[ . 1 . 2 ]" 1
432 1 70 GLY QA 1 71 ARG H 0.000 . 3.400 2.338 2.129 2.673 . 0 0 "[ . 1 . 2 ]" 1
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