NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384526 |
1kkd   |
5102 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kkd
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 472
_Distance_constraint_stats_list.Viol_count 1077
_Distance_constraint_stats_list.Viol_total 3029.981
_Distance_constraint_stats_list.Viol_max 0.804
_Distance_constraint_stats_list.Viol_rms 0.0561
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.1223
_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 ARG 0.028 0.028 17 0 "[ . 1 . 2 ]"
1 4 LYS 0.028 0.028 17 0 "[ . 1 . 2 ]"
1 5 LEU 0.026 0.026 14 0 "[ . 1 . 2 ]"
1 6 GLU 0.026 0.026 14 0 "[ . 1 . 2 ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 LYS 5.850 0.543 14 2 "[ . -1 +. 2 ]"
1 10 ALA 0.277 0.196 3 0 "[ . 1 . 2 ]"
1 11 GLU 0.163 0.101 8 0 "[ . 1 . 2 ]"
1 12 LYS 1.779 0.166 14 0 "[ . 1 . 2 ]"
1 13 HIS 0.305 0.196 3 0 "[ . 1 . 2 ]"
1 14 VAL 1.487 0.397 16 0 "[ . 1 . 2 ]"
1 15 HIS 1.329 0.397 16 0 "[ . 1 . 2 ]"
1 16 ASN 0.059 0.024 6 0 "[ . 1 . 2 ]"
1 17 PHE 0.459 0.097 18 0 "[ . 1 . 2 ]"
1 18 MET 0.503 0.097 14 0 "[ . 1 . 2 ]"
1 19 MET 3.756 0.391 19 0 "[ . 1 . 2 ]"
1 20 ASP 2.382 0.391 19 0 "[ . 1 . 2 ]"
1 21 THR 0.278 0.059 23 0 "[ . 1 . 2 ]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 LEU 0.097 0.078 14 0 "[ . 1 . 2 ]"
1 24 THR 0.000 0.000 1 0 "[ . 1 . 2 ]"
1 25 LYS 0.475 0.102 13 0 "[ . 1 . 2 ]"
1 26 ARG 9.198 0.438 19 0 "[ . 1 . 2 ]"
1 27 VAL 11.127 0.591 20 4 "[ *. 1 * - + ]"
1 28 LYS 2.146 0.336 2 0 "[ . 1 . 2 ]"
1 29 ASN 7.128 0.534 21 1 "[ . 1 . 2+ ]"
1 30 ALA 1.409 0.242 16 0 "[ . 1 . 2 ]"
1 31 ALA 4.750 0.534 21 1 "[ . 1 . 2+ ]"
1 32 ALA 2.966 0.339 22 0 "[ . 1 . 2 ]"
1 33 ASN 9.327 0.551 1 2 "[+ - 1 . 2 ]"
1 34 VAL 12.585 0.551 1 2 "[+ - 1 . 2 ]"
1 35 LEU 1.709 0.230 4 0 "[ . 1 . 2 ]"
1 36 ARG 2.276 0.336 12 0 "[ . 1 . 2 ]"
1 37 GLU 8.690 0.560 3 1 "[ + . 1 . 2 ]"
1 38 THR 4.810 0.357 23 0 "[ . 1 . 2 ]"
1 39 TRP 11.675 0.560 3 1 "[ + . 1 . 2 ]"
1 40 LEU 0.093 0.066 17 0 "[ . 1 . 2 ]"
1 41 ILE 2.774 0.446 20 0 "[ . 1 . 2 ]"
1 42 TYR 3.685 0.229 21 0 "[ . 1 . 2 ]"
1 43 LYS 0.400 0.083 13 0 "[ . 1 . 2 ]"
1 44 ASN 0.128 0.039 15 0 "[ . 1 . 2 ]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 LYS 0.000 0.000 17 0 "[ . 1 . 2 ]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 VAL 3.346 0.524 9 1 "[ . +1 . 2 ]"
1 49 LYS 0.103 0.038 22 0 "[ . 1 . 2 ]"
1 50 LYS 0.420 0.023 21 0 "[ . 1 . 2 ]"
1 51 ILE 10.379 0.673 23 10 "[* *-.*** 1 * .** 2 +]"
1 52 ASP 7.780 0.511 7 7 "[* -.*+* 1 * . * 2 ]"
1 53 HIS 0.561 0.055 5 0 "[ . 1 . 2 ]"
1 54 ALA 0.287 0.042 13 0 "[ . 1 . 2 ]"
1 55 LYS 0.368 0.049 9 0 "[ . 1 . 2 ]"
1 56 VAL 1.160 0.385 17 0 "[ . 1 . 2 ]"
1 57 ARG 1.908 0.385 17 0 "[ . 1 . 2 ]"
1 58 LYS 1.410 0.308 9 0 "[ . 1 . 2 ]"
1 59 HIS 0.800 0.133 21 0 "[ . 1 . 2 ]"
1 60 GLN 3.186 0.259 1 0 "[ . 1 . 2 ]"
1 61 ARG 1.197 0.243 7 0 "[ . 1 . 2 ]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 PHE 1.010 0.200 15 0 "[ . 1 . 2 ]"
1 64 LEU 1.250 0.200 15 0 "[ . 1 . 2 ]"
1 65 GLN 1.111 0.212 18 0 "[ . 1 . 2 ]"
1 66 ALA 1.074 0.354 22 0 "[ . 1 . 2 ]"
1 67 ILE 10.684 0.804 20 2 "[ . 1 . -+ ]"
1 68 HIS 7.651 0.804 20 1 "[ . 1 . + ]"
1 69 GLN 4.398 0.346 18 0 "[ . 1 . 2 ]"
1 70 LEU 1.306 0.346 18 0 "[ . 1 . 2 ]"
1 71 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 SER 0.025 0.024 11 0 "[ . 1 . 2 ]"
1 73 VAL 1.291 0.311 4 0 "[ . 1 . 2 ]"
1 74 LYS 5.012 0.524 11 2 "[- . 1+ . 2 ]"
1 75 MET 4.307 0.713 11 3 "[ -. 1+* . 2 ]"
1 76 GLU 2.601 0.713 11 3 "[ -. 1+* . 2 ]"
1 77 GLN 1.970 0.338 18 0 "[ . 1 . 2 ]"
1 78 ARG 0.866 0.196 23 0 "[ . 1 . 2 ]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 LEU 5.541 0.327 17 0 "[ . 1 . 2 ]"
1 81 ASN 2.243 0.313 7 0 "[ . 1 . 2 ]"
1 82 ASP 1.000 0.115 1 0 "[ . 1 . 2 ]"
1 83 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 ALA 0.044 0.020 13 0 "[ . 1 . 2 ]"
1 85 ASN 0.436 0.131 19 0 "[ . 1 . 2 ]"
1 86 THR 0.427 0.131 19 0 "[ . 1 . 2 ]"
1 87 LEU 2.107 0.206 16 0 "[ . 1 . 2 ]"
1 88 VAL 2.940 0.232 11 0 "[ . 1 . 2 ]"
1 89 ASP 2.002 0.232 11 0 "[ . 1 . 2 ]"
1 90 LEU 1.580 0.395 13 0 "[ . 1 . 2 ]"
1 91 ALA 1.322 0.161 6 0 "[ . 1 . 2 ]"
1 92 LYS 0.199 0.164 5 0 "[ . 1 . 2 ]"
1 93 THR 0.340 0.165 17 0 "[ . 1 . 2 ]"
1 94 GLN 0.305 0.165 17 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 3 ARG HA 1 4 LYS H . . 3.600 2.512 2.229 3.628 0.028 17 0 "[ . 1 . 2 ]" 1
2 1 4 LYS H 1 4 LYS QG . . 5.100 3.543 1.943 4.243 . 0 0 "[ . 1 . 2 ]" 1
3 1 4 LYS HA 1 5 LEU H . . 6.500 2.507 2.179 3.639 . 0 0 "[ . 1 . 2 ]" 1
4 1 5 LEU HA 1 6 GLU H . . 3.600 2.435 2.180 3.626 0.026 14 0 "[ . 1 . 2 ]" 1
5 1 6 GLU H 1 6 GLU HB2 . . 4.400 2.989 2.049 4.068 . 0 0 "[ . 1 . 2 ]" 1
6 1 6 GLU H 1 6 GLU HB3 . . 4.300 3.261 2.447 3.856 . 0 0 "[ . 1 . 2 ]" 1
7 1 6 GLU H 1 6 GLU QG . . 4.500 3.295 1.942 4.053 . 0 0 "[ . 1 . 2 ]" 1
8 1 6 GLU HB2 1 7 LEU H . . 7.000 3.533 2.082 4.726 . 0 0 "[ . 1 . 2 ]" 1
9 1 8 THR H 1 8 THR HB . . 4.300 3.217 2.080 3.917 . 0 0 "[ . 1 . 2 ]" 1
10 1 8 THR H 1 8 THR MG . . 4.200 2.441 1.893 3.569 . 0 0 "[ . 1 . 2 ]" 1
11 1 8 THR HA 1 9 LYS H . . 3.100 2.344 2.149 2.800 . 0 0 "[ . 1 . 2 ]" 1
12 1 8 THR MG 1 9 LYS H . . 8.000 4.084 3.349 4.396 . 0 0 "[ . 1 . 2 ]" 1
13 1 9 LYS H 1 9 LYS QD . . 3.800 3.607 3.571 3.700 . 0 0 "[ . 1 . 2 ]" 1
14 1 9 LYS H 1 9 LYS HG2 . . 2.700 2.361 1.855 3.243 0.543 14 2 "[ . -1 +. 2 ]" 1
15 1 9 LYS H 1 9 LYS HG3 . . 3.000 2.642 1.860 3.261 0.261 22 0 "[ . 1 . 2 ]" 1
16 1 9 LYS QB 1 10 ALA H . . 7.000 3.028 1.756 4.073 . 0 0 "[ . 1 . 2 ]" 1
17 1 10 ALA HA 1 11 GLU H . . 4.700 2.757 2.197 3.641 . 0 0 "[ . 1 . 2 ]" 1
18 1 10 ALA HA 1 13 HIS H . . 4.400 4.305 3.768 4.596 0.196 3 0 "[ . 1 . 2 ]" 1
19 1 10 ALA MB 1 11 GLU H . . 4.600 3.076 1.864 3.781 . 0 0 "[ . 1 . 2 ]" 1
20 1 10 ALA MB 1 13 HIS H . . 4.200 3.051 2.290 3.397 . 0 0 "[ . 1 . 2 ]" 1
21 1 11 GLU H 1 11 GLU QG . . 4.200 3.061 2.124 3.819 . 0 0 "[ . 1 . 2 ]" 1
22 1 11 GLU HA 1 12 LYS H . . 3.200 2.865 2.294 3.301 0.101 8 0 "[ . 1 . 2 ]" 1
23 1 11 GLU QB 1 12 LYS H . . 6.800 3.689 1.756 4.123 . 0 0 "[ . 1 . 2 ]" 1
24 1 12 LYS H 1 12 LYS QD . . 4.400 4.002 3.825 4.241 . 0 0 "[ . 1 . 2 ]" 1
25 1 12 LYS H 1 12 LYS HG2 . . 2.400 2.400 1.950 2.566 0.166 14 0 "[ . 1 . 2 ]" 1
26 1 12 LYS H 1 12 LYS HG3 . . 2.500 2.272 1.960 2.600 0.100 3 0 "[ . 1 . 2 ]" 1
27 1 13 HIS H 1 13 HIS HB3 . . 4.400 3.643 2.243 4.092 . 0 0 "[ . 1 . 2 ]" 1
28 1 13 HIS HA 1 14 VAL H . . 3.300 2.454 2.186 2.764 . 0 0 "[ . 1 . 2 ]" 1
29 1 13 HIS HB2 1 14 VAL H . . 4.700 4.066 3.270 4.722 0.022 21 0 "[ . 1 . 2 ]" 1
30 1 13 HIS HB3 1 14 VAL H . . 4.800 3.405 1.952 4.661 . 0 0 "[ . 1 . 2 ]" 1
31 1 14 VAL H 1 14 VAL HB . . 3.800 3.402 2.687 3.927 0.127 21 0 "[ . 1 . 2 ]" 1
32 1 14 VAL H 1 15 HIS H . . 4.000 3.491 1.900 4.117 0.117 16 0 "[ . 1 . 2 ]" 1
33 1 14 VAL HA 1 15 HIS H . . 3.200 2.602 2.182 3.597 0.397 16 0 "[ . 1 . 2 ]" 1
34 1 14 VAL HA 1 17 PHE H . . 6.600 6.059 4.419 6.598 . 0 0 "[ . 1 . 2 ]" 1
35 1 14 VAL HB 1 15 HIS H . . 4.200 3.900 1.945 4.301 0.101 20 0 "[ . 1 . 2 ]" 1
36 1 14 VAL QG 1 15 HIS H . . 7.100 2.948 1.922 3.805 . 0 0 "[ . 1 . 2 ]" 1
37 1 14 VAL QG 1 17 PHE H . . 9.400 4.405 1.866 6.189 . 0 0 "[ . 1 . 2 ]" 1
38 1 15 HIS H 1 16 ASN H . . 4.300 3.299 2.132 4.324 0.024 6 0 "[ . 1 . 2 ]" 1
39 1 15 HIS HA 1 16 ASN H . . 4.800 2.970 2.305 3.642 . 0 0 "[ . 1 . 2 ]" 1
40 1 15 HIS QB 1 16 ASN H . . 5.900 3.058 1.906 4.105 . 0 0 "[ . 1 . 2 ]" 1
41 1 16 ASN H 1 16 ASN HB2 . . 4.200 2.910 2.026 4.069 . 0 0 "[ . 1 . 2 ]" 1
42 1 16 ASN HA 1 17 PHE H . . 3.400 2.564 2.264 3.406 0.006 15 0 "[ . 1 . 2 ]" 1
43 1 16 ASN HA 1 19 MET H . . 5.700 5.169 3.755 5.715 0.015 6 0 "[ . 1 . 2 ]" 1
44 1 16 ASN HB2 1 17 PHE H . . 4.800 4.487 3.384 4.741 . 0 0 "[ . 1 . 2 ]" 1
45 1 17 PHE H 1 17 PHE HB2 . . 3.700 2.651 1.958 3.690 . 0 0 "[ . 1 . 2 ]" 1
46 1 17 PHE H 1 17 PHE HB3 . . 3.600 2.998 2.283 3.697 0.097 18 0 "[ . 1 . 2 ]" 1
47 1 17 PHE HA 1 18 MET H . . 3.700 2.991 2.207 3.644 . 0 0 "[ . 1 . 2 ]" 1
48 1 17 PHE HB2 1 18 MET H . . 4.600 3.698 2.371 4.697 0.097 14 0 "[ . 1 . 2 ]" 1
49 1 17 PHE HB3 1 18 MET H . . 4.900 3.245 2.014 4.722 . 0 0 "[ . 1 . 2 ]" 1
50 1 18 MET H 1 18 MET HB2 . . 4.100 3.160 2.243 3.995 . 0 0 "[ . 1 . 2 ]" 1
51 1 18 MET H 1 18 MET HB3 . . 4.100 3.399 2.620 3.975 . 0 0 "[ . 1 . 2 ]" 1
52 1 18 MET H 1 18 MET HG2 . . 3.100 2.627 1.954 3.077 . 0 0 "[ . 1 . 2 ]" 1
53 1 18 MET H 1 18 MET HG3 . . 2.900 2.748 2.357 2.996 0.096 1 0 "[ . 1 . 2 ]" 1
54 1 18 MET HA 1 19 MET H . . 4.000 2.830 2.222 3.646 . 0 0 "[ . 1 . 2 ]" 1
55 1 19 MET H 1 19 MET HB2 . . 4.300 2.969 2.134 3.898 . 0 0 "[ . 1 . 2 ]" 1
56 1 19 MET H 1 19 MET HB3 . . 4.200 3.414 2.445 4.035 . 0 0 "[ . 1 . 2 ]" 1
57 1 19 MET H 1 19 MET HG2 . . 3.200 2.932 1.998 3.454 0.254 12 0 "[ . 1 . 2 ]" 1
58 1 19 MET H 1 19 MET HG3 . . 3.400 2.839 1.930 3.458 0.058 19 0 "[ . 1 . 2 ]" 1
59 1 19 MET H 1 20 ASP H . . 3.600 2.825 1.988 3.872 0.272 7 0 "[ . 1 . 2 ]" 1
60 1 19 MET HA 1 20 ASP H . . 3.600 3.427 2.209 3.645 0.045 22 0 "[ . 1 . 2 ]" 1
61 1 19 MET HB2 1 20 ASP H . . 3.600 2.961 2.088 3.991 0.391 19 0 "[ . 1 . 2 ]" 1
62 1 19 MET HB3 1 20 ASP H . . 3.800 3.641 3.237 3.994 0.194 7 0 "[ . 1 . 2 ]" 1
63 1 19 MET HG2 1 20 ASP H . . 5.700 4.250 1.947 5.533 . 0 0 "[ . 1 . 2 ]" 1
64 1 20 ASP H 1 20 ASP HB2 . . 4.300 3.257 2.202 4.047 . 0 0 "[ . 1 . 2 ]" 1
65 1 20 ASP H 1 20 ASP HB3 . . 4.300 3.659 2.411 4.080 . 0 0 "[ . 1 . 2 ]" 1
66 1 20 ASP H 1 21 THR H . . 3.800 3.449 2.412 3.832 0.032 23 0 "[ . 1 . 2 ]" 1
67 1 20 ASP HA 1 21 THR H . . 3.600 2.431 2.252 3.653 0.053 21 0 "[ . 1 . 2 ]" 1
68 1 20 ASP HA 1 23 LEU H . . 4.500 4.351 3.838 4.514 0.014 23 0 "[ . 1 . 2 ]" 1
69 1 20 ASP HB2 1 21 THR H . . 5.300 4.332 2.325 4.718 . 0 0 "[ . 1 . 2 ]" 1
70 1 20 ASP HB3 1 21 THR H . . 5.800 4.202 2.520 4.639 . 0 0 "[ . 1 . 2 ]" 1
71 1 21 THR H 1 21 THR HB . . 3.700 3.458 2.392 3.759 0.059 23 0 "[ . 1 . 2 ]" 1
72 1 21 THR H 1 21 THR MG . . 4.000 2.519 1.908 3.442 . 0 0 "[ . 1 . 2 ]" 1
73 1 22 GLN H 1 22 GLN QG . . 4.700 3.676 1.992 4.233 . 0 0 "[ . 1 . 2 ]" 1
74 1 22 GLN HB2 1 23 LEU H . . 6.300 4.020 2.895 4.739 . 0 0 "[ . 1 . 2 ]" 1
75 1 22 GLN QG 1 23 LEU H . . 8.000 3.978 1.874 4.591 . 0 0 "[ . 1 . 2 ]" 1
76 1 23 LEU H 1 23 LEU HG . . 3.400 2.735 1.948 3.478 0.078 14 0 "[ . 1 . 2 ]" 1
77 1 23 LEU H 1 24 THR H . . 3.800 3.265 2.039 3.788 . 0 0 "[ . 1 . 2 ]" 1
78 1 23 LEU QB 1 24 THR H . . 6.000 3.522 2.145 4.108 . 0 0 "[ . 1 . 2 ]" 1
79 1 23 LEU QD 1 24 THR H . . 8.800 3.499 1.936 4.511 . 0 0 "[ . 1 . 2 ]" 1
80 1 23 LEU QD 1 25 LYS H . . 8.100 4.367 2.026 5.873 . 0 0 "[ . 1 . 2 ]" 1
81 1 24 THR H 1 24 THR MG . . 4.300 3.146 1.999 3.663 . 0 0 "[ . 1 . 2 ]" 1
82 1 24 THR H 1 25 LYS H . . 4.100 3.193 1.916 4.100 0.000 1 0 "[ . 1 . 2 ]" 1
83 1 24 THR HA 1 25 LYS H . . 4.200 2.751 2.151 3.633 . 0 0 "[ . 1 . 2 ]" 1
84 1 24 THR MG 1 25 LYS H . . 4.600 3.491 2.026 3.790 . 0 0 "[ . 1 . 2 ]" 1
85 1 25 LYS H 1 25 LYS HB2 . . 3.900 3.430 2.121 3.942 0.042 22 0 "[ . 1 . 2 ]" 1
86 1 25 LYS H 1 25 LYS HB3 . . 3.600 2.882 2.166 3.702 0.102 13 0 "[ . 1 . 2 ]" 1
87 1 25 LYS H 1 25 LYS QD . . 3.600 3.066 1.951 3.612 0.012 19 0 "[ . 1 . 2 ]" 1
88 1 25 LYS HA 1 26 ARG H . . 3.500 2.732 2.275 3.260 . 0 0 "[ . 1 . 2 ]" 1
89 1 25 LYS QG 1 26 ARG H . . 5.500 2.662 1.893 3.449 . 0 0 "[ . 1 . 2 ]" 1
90 1 25 LYS QG 1 27 VAL H . . 5.600 5.005 4.770 5.219 . 0 0 "[ . 1 . 2 ]" 1
91 1 26 ARG H 1 26 ARG HB2 . . 3.700 3.250 2.049 4.043 0.343 19 0 "[ . 1 . 2 ]" 1
92 1 26 ARG H 1 26 ARG HB3 . . 3.800 3.310 2.961 3.967 0.167 21 0 "[ . 1 . 2 ]" 1
93 1 26 ARG H 1 26 ARG QG . . 4.000 2.797 2.053 3.657 . 0 0 "[ . 1 . 2 ]" 1
94 1 26 ARG H 1 29 ASN HA . . 4.500 3.864 2.465 4.846 0.346 21 0 "[ . 1 . 2 ]" 1
95 1 26 ARG H 1 29 ASN QB . . 4.900 4.524 1.934 5.338 0.438 19 0 "[ . 1 . 2 ]" 1
96 1 26 ARG HA 1 27 VAL H . . 3.000 2.733 2.322 3.283 0.283 21 0 "[ . 1 . 2 ]" 1
97 1 26 ARG HB2 1 27 VAL H . . 4.000 2.804 1.852 4.251 0.251 13 0 "[ . 1 . 2 ]" 1
98 1 26 ARG HB3 1 27 VAL H . . 3.600 3.093 1.922 4.006 0.406 3 0 "[ . 1 . 2 ]" 1
99 1 26 ARG QG 1 27 VAL H . . 3.900 3.135 1.882 3.781 . 0 0 "[ . 1 . 2 ]" 1
100 1 27 VAL H 1 27 VAL HB . . 3.400 2.964 2.192 3.653 0.253 12 0 "[ . 1 . 2 ]" 1
101 1 27 VAL H 1 27 VAL MG1 . . 3.400 3.059 1.921 3.991 0.591 20 4 "[ *. 1 * - + ]" 1
102 1 27 VAL H 1 28 LYS H . . 3.300 3.114 2.655 3.414 0.114 7 0 "[ . 1 . 2 ]" 1
103 1 27 VAL HA 1 28 LYS H . . 2.900 2.730 2.407 3.236 0.336 2 0 "[ . 1 . 2 ]" 1
104 1 27 VAL HB 1 28 LYS H . . 4.700 4.545 4.164 4.692 . 0 0 "[ . 1 . 2 ]" 1
105 1 27 VAL MG1 1 28 LYS H . . 4.100 4.027 3.249 4.398 0.298 1 0 "[ . 1 . 2 ]" 1
106 1 27 VAL MG1 1 29 ASN H . . 5.700 4.076 2.683 5.701 0.001 9 0 "[ . 1 . 2 ]" 1
107 1 27 VAL MG1 1 30 ALA H . . 7.200 3.788 1.921 6.927 . 0 0 "[ . 1 . 2 ]" 1
108 1 27 VAL MG1 1 31 ALA H . . 7.200 4.203 2.367 6.012 . 0 0 "[ . 1 . 2 ]" 1
109 1 27 VAL MG2 1 31 ALA H . . 5.700 4.931 2.909 6.062 0.362 14 0 "[ . 1 . 2 ]" 1
110 1 28 LYS H 1 28 LYS HB2 . . 4.300 3.299 2.511 3.756 . 0 0 "[ . 1 . 2 ]" 1
111 1 28 LYS H 1 28 LYS QD . . 4.000 3.135 1.973 3.778 . 0 0 "[ . 1 . 2 ]" 1
112 1 28 LYS HA 1 29 ASN H . . 4.100 3.037 2.186 3.639 . 0 0 "[ . 1 . 2 ]" 1
113 1 28 LYS HB2 1 29 ASN H . . 4.900 3.897 2.045 4.711 . 0 0 "[ . 1 . 2 ]" 1
114 1 28 LYS HB3 1 29 ASN H . . 5.000 4.078 2.951 4.655 . 0 0 "[ . 1 . 2 ]" 1
115 1 28 LYS QD 1 29 ASN H . . 4.500 3.932 3.360 4.198 . 0 0 "[ . 1 . 2 ]" 1
116 1 29 ASN H 1 29 ASN HA . . 3.100 2.360 2.167 2.902 . 0 0 "[ . 1 . 2 ]" 1
117 1 29 ASN H 1 29 ASN QB . . 3.700 2.977 2.446 3.348 . 0 0 "[ . 1 . 2 ]" 1
118 1 29 ASN H 1 30 ALA H . . 3.300 2.978 2.000 3.465 0.165 14 0 "[ . 1 . 2 ]" 1
119 1 29 ASN HA 1 30 ALA H . . 3.800 2.874 2.257 3.637 . 0 0 "[ . 1 . 2 ]" 1
120 1 29 ASN HA 1 31 ALA H . . 3.900 3.628 2.883 4.071 0.171 3 0 "[ . 1 . 2 ]" 1
121 1 29 ASN HA 1 32 ALA H . . 4.900 4.425 2.824 4.982 0.082 8 0 "[ . 1 . 2 ]" 1
122 1 29 ASN QB 1 30 ALA H . . 5.000 3.683 2.354 4.123 . 0 0 "[ . 1 . 2 ]" 1
123 1 29 ASN QB 1 31 ALA H . . 4.800 3.972 2.090 5.334 0.534 21 1 "[ . 1 . 2+ ]" 1
124 1 29 ASN QB 1 32 ALA H . . 5.500 4.321 2.050 5.839 0.339 22 0 "[ . 1 . 2 ]" 1
125 1 30 ALA HA 1 31 ALA H . . 3.400 3.391 3.082 3.642 0.242 16 0 "[ . 1 . 2 ]" 1
126 1 30 ALA MB 1 31 ALA H . . 3.900 3.179 2.202 3.622 . 0 0 "[ . 1 . 2 ]" 1
127 1 31 ALA H 1 31 ALA HA . . 3.000 2.591 2.212 2.901 . 0 0 "[ . 1 . 2 ]" 1
128 1 31 ALA HA 1 34 VAL H . . 3.400 3.422 2.802 3.669 0.269 8 0 "[ . 1 . 2 ]" 1
129 1 31 ALA MB 1 34 VAL H . . 4.000 3.202 3.059 3.283 . 0 0 "[ . 1 . 2 ]" 1
130 1 32 ALA H 1 32 ALA MB . . 3.600 2.366 1.946 2.901 . 0 0 "[ . 1 . 2 ]" 1
131 1 32 ALA HA 1 33 ASN H . . 3.500 2.994 2.219 3.641 0.141 16 0 "[ . 1 . 2 ]" 1
132 1 32 ALA MB 1 33 ASN H . . 4.100 2.958 1.907 3.599 . 0 0 "[ . 1 . 2 ]" 1
133 1 32 ALA MB 1 35 LEU H . . 4.900 3.934 3.437 4.231 . 0 0 "[ . 1 . 2 ]" 1
134 1 33 ASN H 1 34 VAL H . . 3.400 2.366 1.868 2.775 . 0 0 "[ . 1 . 2 ]" 1
135 1 33 ASN H 1 34 VAL HA . . 6.100 4.491 3.718 5.118 . 0 0 "[ . 1 . 2 ]" 1
136 1 33 ASN H 1 34 VAL MG1 . . 6.200 4.450 3.252 6.080 . 0 0 "[ . 1 . 2 ]" 1
137 1 33 ASN HA 1 34 VAL H . . 3.700 3.150 2.896 3.601 . 0 0 "[ . 1 . 2 ]" 1
138 1 33 ASN HA 1 35 LEU H . . 4.300 4.148 3.736 4.288 . 0 0 "[ . 1 . 2 ]" 1
139 1 33 ASN HA 1 37 GLU H . . 4.400 4.432 3.849 4.608 0.208 17 0 "[ . 1 . 2 ]" 1
140 1 33 ASN HA 1 39 TRP QB . . 7.000 5.702 5.100 6.255 . 0 0 "[ . 1 . 2 ]" 1
141 1 33 ASN QB 1 34 VAL H . . 5.900 3.656 2.605 4.016 . 0 0 "[ . 1 . 2 ]" 1
142 1 33 ASN HB2 1 34 VAL H . . 4.500 3.974 2.658 4.482 . 0 0 "[ . 1 . 2 ]" 1
143 1 33 ASN HB3 1 34 VAL H . . 4.100 4.330 3.316 4.651 0.551 1 2 "[+ - 1 . 2 ]" 1
144 1 34 VAL H 1 34 VAL HB . . 3.600 3.395 2.269 3.850 0.250 1 0 "[ . 1 . 2 ]" 1
145 1 34 VAL H 1 34 VAL MG1 . . 3.600 2.885 2.059 4.060 0.460 17 0 "[ . 1 . 2 ]" 1
146 1 34 VAL H 1 35 LEU H . . 3.000 2.759 2.405 2.915 . 0 0 "[ . 1 . 2 ]" 1
147 1 34 VAL HA 1 35 LEU H . . 3.600 3.093 2.952 3.398 . 0 0 "[ . 1 . 2 ]" 1
148 1 34 VAL HA 1 37 GLU H . . 5.600 4.535 2.586 5.185 . 0 0 "[ . 1 . 2 ]" 1
149 1 34 VAL HA 1 39 TRP HD1 . . 6.200 5.933 3.528 6.338 0.138 21 0 "[ . 1 . 2 ]" 1
150 1 34 VAL HB 1 35 LEU H . . 4.700 4.433 3.448 4.695 . 0 0 "[ . 1 . 2 ]" 1
151 1 34 VAL MG1 1 35 LEU H . . 4.600 3.973 3.591 4.239 . 0 0 "[ . 1 . 2 ]" 1
152 1 34 VAL MG1 1 37 GLU H . . 8.000 3.165 1.827 4.098 . 0 0 "[ . 1 . 2 ]" 1
153 1 34 VAL MG1 1 37 GLU HA . . 5.000 3.489 1.821 4.253 . 0 0 "[ . 1 . 2 ]" 1
154 1 34 VAL MG1 1 38 THR H . . 8.000 3.835 1.720 6.125 . 0 0 "[ . 1 . 2 ]" 1
155 1 34 VAL MG2 1 35 LEU H . . 8.000 3.860 3.335 4.475 . 0 0 "[ . 1 . 2 ]" 1
156 1 34 VAL MG2 1 37 GLU H . . 8.000 2.825 1.718 4.470 . 0 0 "[ . 1 . 2 ]" 1
157 1 34 VAL MG2 1 37 GLU HA . . 4.200 3.509 2.409 4.224 0.024 16 0 "[ . 1 . 2 ]" 1
158 1 34 VAL MG2 1 38 THR H . . 8.000 3.476 2.359 6.009 . 0 0 "[ . 1 . 2 ]" 1
159 1 35 LEU H 1 35 LEU HB2 . . 3.700 3.032 2.234 3.411 . 0 0 "[ . 1 . 2 ]" 1
160 1 35 LEU H 1 35 LEU HB3 . . 4.100 3.692 2.533 4.068 . 0 0 "[ . 1 . 2 ]" 1
161 1 35 LEU H 1 36 ARG H . . 3.600 3.401 2.621 3.830 0.230 4 0 "[ . 1 . 2 ]" 1
162 1 35 LEU HA 1 36 ARG H . . 3.600 3.456 2.520 3.640 0.040 16 0 "[ . 1 . 2 ]" 1
163 1 35 LEU HA 1 37 GLU H . . 5.200 4.456 3.902 5.003 . 0 0 "[ . 1 . 2 ]" 1
164 1 35 LEU MD1 1 36 ARG H . . 8.000 4.604 3.481 5.663 . 0 0 "[ . 1 . 2 ]" 1
165 1 36 ARG H 1 36 ARG HB2 . . 3.500 2.604 2.027 3.836 0.336 12 0 "[ . 1 . 2 ]" 1
166 1 36 ARG H 1 36 ARG QG . . 4.500 3.347 1.937 4.079 . 0 0 "[ . 1 . 2 ]" 1
167 1 36 ARG H 1 37 GLU H . . 3.600 2.394 1.770 2.801 . 0 0 "[ . 1 . 2 ]" 1
168 1 36 ARG HA 1 37 GLU H . . 3.800 3.559 3.400 3.640 . 0 0 "[ . 1 . 2 ]" 1
169 1 36 ARG QG 1 37 GLU H . . 5.200 4.114 2.727 4.634 . 0 0 "[ . 1 . 2 ]" 1
170 1 36 ARG QG 1 39 TRP H . . 8.000 6.430 4.708 7.124 . 0 0 "[ . 1 . 2 ]" 1
171 1 37 GLU H 1 37 GLU QB . . 3.800 3.153 2.848 3.524 . 0 0 "[ . 1 . 2 ]" 1
172 1 37 GLU H 1 37 GLU QG . . 4.100 2.985 2.280 3.711 . 0 0 "[ . 1 . 2 ]" 1
173 1 37 GLU H 1 38 THR H . . 3.500 2.877 2.487 3.224 . 0 0 "[ . 1 . 2 ]" 1
174 1 37 GLU H 1 39 TRP H . . 4.600 4.622 4.101 4.881 0.281 16 0 "[ . 1 . 2 ]" 1
175 1 37 GLU HA 1 38 THR H . . 4.000 2.703 2.333 3.079 . 0 0 "[ . 1 . 2 ]" 1
176 1 37 GLU HA 1 39 TRP H . . 4.100 3.144 3.001 3.325 . 0 0 "[ . 1 . 2 ]" 1
177 1 37 GLU QB 1 38 THR H . . 4.300 3.997 3.818 4.126 . 0 0 "[ . 1 . 2 ]" 1
178 1 37 GLU QB 1 39 TRP H . . 4.000 4.178 3.830 4.560 0.560 3 1 "[ + . 1 . 2 ]" 1
179 1 37 GLU QB 1 40 LEU H . . 4.800 3.700 2.977 4.639 . 0 0 "[ . 1 . 2 ]" 1
180 1 37 GLU QG 1 38 THR H . . 5.700 4.253 3.729 4.617 . 0 0 "[ . 1 . 2 ]" 1
181 1 38 THR H 1 38 THR MG . . 4.200 3.028 2.105 3.731 . 0 0 "[ . 1 . 2 ]" 1
182 1 38 THR H 1 39 TRP H . . 3.200 2.542 2.047 3.206 0.006 18 0 "[ . 1 . 2 ]" 1
183 1 38 THR H 1 39 TRP QB . . 7.600 4.878 4.337 5.314 . 0 0 "[ . 1 . 2 ]" 1
184 1 38 THR HA 1 39 TRP H . . 4.100 3.341 2.815 3.542 . 0 0 "[ . 1 . 2 ]" 1
185 1 38 THR HA 1 39 TRP HD1 . . 6.500 6.038 5.200 6.516 0.016 13 0 "[ . 1 . 2 ]" 1
186 1 38 THR HA 1 39 TRP HE3 . . 6.000 5.948 5.521 6.312 0.312 20 0 "[ . 1 . 2 ]" 1
187 1 38 THR HA 1 40 LEU H . . 3.900 3.501 2.921 3.902 0.002 2 0 "[ . 1 . 2 ]" 1
188 1 38 THR HA 1 41 ILE H . . 3.300 3.341 3.106 3.634 0.334 14 0 "[ . 1 . 2 ]" 1
189 1 38 THR HB 1 39 TRP H . . 4.000 3.922 3.190 4.357 0.357 23 0 "[ . 1 . 2 ]" 1
190 1 38 THR HB 1 42 TYR H . . 5.700 5.599 4.952 5.873 0.173 17 0 "[ . 1 . 2 ]" 1
191 1 38 THR MG 1 39 TRP H . . 5.900 3.731 2.477 4.460 . 0 0 "[ . 1 . 2 ]" 1
192 1 38 THR MG 1 39 TRP HE1 . . 7.000 5.213 3.702 5.841 . 0 0 "[ . 1 . 2 ]" 1
193 1 39 TRP H 1 40 LEU H . . 3.400 2.273 1.472 2.909 . 0 0 "[ . 1 . 2 ]" 1
194 1 39 TRP H 1 41 ILE QG . . 4.300 4.009 3.101 4.746 0.446 20 0 "[ . 1 . 2 ]" 1
195 1 39 TRP HA 1 39 TRP HD1 . . 4.750 4.661 4.218 4.789 0.039 13 0 "[ . 1 . 2 ]" 1
196 1 39 TRP HA 1 39 TRP HE3 . . 4.100 3.085 2.598 4.381 0.281 20 0 "[ . 1 . 2 ]" 1
197 1 39 TRP HA 1 40 LEU H . . 3.900 3.272 2.951 3.527 . 0 0 "[ . 1 . 2 ]" 1
198 1 39 TRP HA 1 41 ILE H . . 6.200 4.429 3.825 4.971 . 0 0 "[ . 1 . 2 ]" 1
199 1 39 TRP HA 1 42 TYR H . . 4.200 3.785 3.231 4.240 0.040 9 0 "[ . 1 . 2 ]" 1
200 1 39 TRP QB 1 40 LEU H . . 5.900 3.671 3.115 4.014 . 0 0 "[ . 1 . 2 ]" 1
201 1 39 TRP QB 1 41 ILE H . . 6.800 5.249 4.813 5.677 . 0 0 "[ . 1 . 2 ]" 1
202 1 39 TRP HD1 1 40 LEU QD . . 6.300 2.457 2.181 4.403 . 0 0 "[ . 1 . 2 ]" 1
203 1 39 TRP HE1 1 40 LEU QD . . 6.100 4.223 3.976 4.566 . 0 0 "[ . 1 . 2 ]" 1
204 1 40 LEU H 1 40 LEU HB2 . . 3.900 2.715 2.310 3.718 . 0 0 "[ . 1 . 2 ]" 1
205 1 40 LEU H 1 40 LEU HB3 . . 3.900 3.707 3.539 3.915 0.015 14 0 "[ . 1 . 2 ]" 1
206 1 40 LEU H 1 41 ILE H . . 2.800 2.036 1.629 2.364 . 0 0 "[ . 1 . 2 ]" 1
207 1 40 LEU HA 1 41 ILE H . . 4.100 3.561 3.307 3.626 . 0 0 "[ . 1 . 2 ]" 1
208 1 40 LEU HA 1 42 TYR CG . . 6.000 5.084 4.336 6.066 0.066 17 0 "[ . 1 . 2 ]" 1
209 1 40 LEU HB2 1 41 ILE H . . 4.600 2.925 2.505 4.222 . 0 0 "[ . 1 . 2 ]" 1
210 1 40 LEU QD 1 42 TYR QE . . 8.000 4.445 2.908 5.223 . 0 0 "[ . 1 . 2 ]" 1
211 1 41 ILE H 1 41 ILE HB . . 3.600 3.533 3.441 3.630 0.030 15 0 "[ . 1 . 2 ]" 1
212 1 41 ILE H 1 41 ILE MD . . 4.100 3.590 3.533 3.633 . 0 0 "[ . 1 . 2 ]" 1
213 1 41 ILE H 1 41 ILE QG . . 2.500 1.844 1.793 1.871 . 0 0 "[ . 1 . 2 ]" 1
214 1 41 ILE H 1 42 TYR H . . 3.100 2.315 2.006 2.644 . 0 0 "[ . 1 . 2 ]" 1
215 1 41 ILE HA 1 42 TYR H . . 3.800 3.563 3.252 3.633 . 0 0 "[ . 1 . 2 ]" 1
216 1 41 ILE HB 1 42 TYR H . . 5.300 3.716 3.057 4.408 . 0 0 "[ . 1 . 2 ]" 1
217 1 41 ILE MD 1 42 TYR H . . 5.100 3.519 2.176 4.114 . 0 0 "[ . 1 . 2 ]" 1
218 1 41 ILE QG 1 42 TYR H . . 3.300 2.086 1.845 3.063 . 0 0 "[ . 1 . 2 ]" 1
219 1 41 ILE MG 1 42 TYR H . . 8.000 4.162 3.994 4.337 . 0 0 "[ . 1 . 2 ]" 1
220 1 42 TYR H 1 42 TYR HB2 . . 4.100 3.382 3.030 3.925 . 0 0 "[ . 1 . 2 ]" 1
221 1 42 TYR H 1 42 TYR HB3 . . 3.800 3.352 1.965 4.029 0.229 21 0 "[ . 1 . 2 ]" 1
222 1 42 TYR H 1 42 TYR QD . . 5.200 3.061 1.946 3.903 . 0 0 "[ . 1 . 2 ]" 1
223 1 42 TYR HA 1 42 TYR HB2 . . 3.100 2.803 2.345 3.068 . 0 0 "[ . 1 . 2 ]" 1
224 1 42 TYR HA 1 43 LYS H . . 3.300 2.454 2.195 2.788 . 0 0 "[ . 1 . 2 ]" 1
225 1 42 TYR HB2 1 43 LYS H . . 4.600 3.913 2.309 4.683 0.083 13 0 "[ . 1 . 2 ]" 1
226 1 42 TYR HB3 1 43 LYS H . . 4.800 3.724 2.089 4.714 . 0 0 "[ . 1 . 2 ]" 1
227 1 43 LYS H 1 43 LYS QD . . 3.900 2.958 1.882 3.553 . 0 0 "[ . 1 . 2 ]" 1
228 1 43 LYS H 1 43 LYS QG . . 4.400 2.967 1.935 3.947 . 0 0 "[ . 1 . 2 ]" 1
229 1 43 LYS H 1 44 ASN H . . 4.300 3.646 2.223 4.330 0.030 17 0 "[ . 1 . 2 ]" 1
230 1 43 LYS HA 1 44 ASN H . . 3.600 2.886 2.183 3.639 0.039 15 0 "[ . 1 . 2 ]" 1
231 1 43 LYS QB 1 44 ASN H . . 6.000 2.983 1.936 4.101 . 0 0 "[ . 1 . 2 ]" 1
232 1 43 LYS QD 1 44 ASN H . . 6.700 4.430 2.120 5.638 . 0 0 "[ . 1 . 2 ]" 1
233 1 43 LYS QG 1 44 ASN H . . 5.500 3.570 1.984 4.690 . 0 0 "[ . 1 . 2 ]" 1
234 1 44 ASN H 1 44 ASN HB3 . . 4.300 3.487 2.351 4.088 . 0 0 "[ . 1 . 2 ]" 1
235 1 44 ASN H 1 45 THR H . . 3.700 2.930 1.903 3.698 . 0 0 "[ . 1 . 2 ]" 1
236 1 44 ASN HA 1 45 THR H . . 3.700 3.081 2.267 3.656 . 0 0 "[ . 1 . 2 ]" 1
237 1 44 ASN HB2 1 45 THR H . . 5.400 3.745 2.119 4.735 . 0 0 "[ . 1 . 2 ]" 1
238 1 44 ASN HB3 1 45 THR H . . 5.500 3.221 2.019 4.727 . 0 0 "[ . 1 . 2 ]" 1
239 1 45 THR H 1 45 THR MG . . 4.300 2.612 1.953 3.677 . 0 0 "[ . 1 . 2 ]" 1
240 1 45 THR HA 1 46 LYS H . . 4.400 2.727 2.150 3.633 . 0 0 "[ . 1 . 2 ]" 1
241 1 45 THR MG 1 46 LYS H . . 5.000 3.275 1.831 4.191 . 0 0 "[ . 1 . 2 ]" 1
242 1 46 LYS H 1 46 LYS QG . . 3.800 2.577 1.945 3.435 . 0 0 "[ . 1 . 2 ]" 1
243 1 46 LYS HA 1 47 LEU H . . 5.100 2.486 2.178 3.626 . 0 0 "[ . 1 . 2 ]" 1
244 1 46 LYS HA 1 48 VAL H . . 4.200 4.097 3.671 4.200 0.000 17 0 "[ . 1 . 2 ]" 1
245 1 46 LYS QB 1 47 LEU H . . 5.600 3.426 1.929 4.097 . 0 0 "[ . 1 . 2 ]" 1
246 1 47 LEU H 1 47 LEU HG . . 2.500 2.350 1.950 2.498 . 0 0 "[ . 1 . 2 ]" 1
247 1 47 LEU HA 1 48 VAL H . . 3.300 2.617 2.410 3.132 . 0 0 "[ . 1 . 2 ]" 1
248 1 48 VAL H 1 48 VAL HB . . 3.500 3.091 2.416 3.531 0.031 7 0 "[ . 1 . 2 ]" 1
249 1 48 VAL H 1 48 VAL MG1 . . 3.500 2.908 2.111 4.024 0.524 9 1 "[ . +1 . 2 ]" 1
250 1 48 VAL H 1 49 LYS H . . 4.000 3.252 1.899 3.999 . 0 0 "[ . 1 . 2 ]" 1
251 1 48 VAL HA 1 49 LYS H . . 3.600 2.743 2.182 3.638 0.038 22 0 "[ . 1 . 2 ]" 1
252 1 48 VAL HB 1 49 LYS H . . 4.900 4.171 2.068 4.688 . 0 0 "[ . 1 . 2 ]" 1
253 1 48 VAL MG1 1 49 LYS H . . 4.700 3.636 1.907 4.342 . 0 0 "[ . 1 . 2 ]" 1
254 1 48 VAL MG2 1 49 LYS H . . 8.000 3.631 1.919 4.391 . 0 0 "[ . 1 . 2 ]" 1
255 1 49 LYS H 1 49 LYS QD . . 4.500 3.300 2.044 4.068 . 0 0 "[ . 1 . 2 ]" 1
256 1 49 LYS H 1 49 LYS QG . . 4.800 2.942 1.943 4.197 . 0 0 "[ . 1 . 2 ]" 1
257 1 49 LYS HA 1 50 LYS H . . 3.400 2.487 2.177 3.416 0.016 4 0 "[ . 1 . 2 ]" 1
258 1 50 LYS H 1 50 LYS QD . . 4.000 3.754 3.743 3.763 . 0 0 "[ . 1 . 2 ]" 1
259 1 50 LYS H 1 50 LYS HG2 . . 2.700 2.410 1.889 2.723 0.023 21 0 "[ . 1 . 2 ]" 1
260 1 50 LYS H 1 50 LYS HG3 . . 2.700 2.142 1.887 2.721 0.021 2 0 "[ . 1 . 2 ]" 1
261 1 50 LYS HA 1 51 ILE H . . 3.000 2.303 2.176 2.704 . 0 0 "[ . 1 . 2 ]" 1
262 1 51 ILE H 1 51 ILE HB . . 3.500 3.024 2.063 3.535 0.035 21 0 "[ . 1 . 2 ]" 1
263 1 51 ILE H 1 51 ILE MD . . 4.600 3.531 1.809 3.924 . 0 0 "[ . 1 . 2 ]" 1
264 1 51 ILE H 1 51 ILE QG . . 2.700 2.490 1.922 3.373 0.673 23 3 "[ - . 1 .* 2 +]" 1
265 1 51 ILE H 1 52 ASP H . . 5.300 4.616 4.471 4.673 . 0 0 "[ . 1 . 2 ]" 1
266 1 51 ILE HA 1 52 ASP H . . 2.900 2.591 2.397 2.842 . 0 0 "[ . 1 . 2 ]" 1
267 1 51 ILE HB 1 52 ASP H . . 4.100 2.814 2.029 4.124 0.024 23 0 "[ . 1 . 2 ]" 1
268 1 51 ILE MD 1 52 ASP H . . 4.400 2.750 2.005 3.630 . 0 0 "[ . 1 . 2 ]" 1
269 1 51 ILE QG 1 52 ASP H . . 3.400 3.631 2.240 3.911 0.511 7 7 "[* -.*+* 1 * . * 2 ]" 1
270 1 52 ASP H 1 52 ASP HB2 . . 4.000 2.916 2.160 3.798 . 0 0 "[ . 1 . 2 ]" 1
271 1 52 ASP H 1 52 ASP HB3 . . 4.000 3.511 2.770 3.991 . 0 0 "[ . 1 . 2 ]" 1
272 1 52 ASP H 1 53 HIS H . . 3.900 2.873 1.898 3.899 . 0 0 "[ . 1 . 2 ]" 1
273 1 52 ASP HA 1 53 HIS H . . 3.600 3.057 2.254 3.655 0.055 5 0 "[ . 1 . 2 ]" 1
274 1 52 ASP HB2 1 53 HIS H . . 5.100 3.668 2.241 4.723 . 0 0 "[ . 1 . 2 ]" 1
275 1 52 ASP HB3 1 53 HIS H . . 5.200 3.507 1.950 4.610 . 0 0 "[ . 1 . 2 ]" 1
276 1 53 HIS H 1 54 ALA H . . 3.300 2.807 1.906 3.286 . 0 0 "[ . 1 . 2 ]" 1
277 1 53 HIS HA 1 54 ALA H . . 3.600 3.179 2.326 3.642 0.042 13 0 "[ . 1 . 2 ]" 1
278 1 53 HIS HB2 1 54 ALA H . . 5.400 3.847 1.947 4.728 . 0 0 "[ . 1 . 2 ]" 1
279 1 53 HIS HB3 1 54 ALA H . . 5.000 3.511 1.949 4.599 . 0 0 "[ . 1 . 2 ]" 1
280 1 54 ALA HA 1 55 LYS H . . 3.200 2.442 2.198 2.765 . 0 0 "[ . 1 . 2 ]" 1
281 1 54 ALA MB 1 55 LYS H . . 4.300 2.793 2.033 3.642 . 0 0 "[ . 1 . 2 ]" 1
282 1 55 LYS H 1 55 LYS QD . . 4.300 3.508 2.053 3.941 . 0 0 "[ . 1 . 2 ]" 1
283 1 55 LYS H 1 55 LYS QG . . 4.500 3.090 1.938 4.039 . 0 0 "[ . 1 . 2 ]" 1
284 1 55 LYS H 1 56 VAL H . . 3.600 3.130 1.963 3.649 0.049 9 0 "[ . 1 . 2 ]" 1
285 1 55 LYS HA 1 56 VAL H . . 3.600 3.049 2.180 3.640 0.040 1 0 "[ . 1 . 2 ]" 1
286 1 55 LYS QB 1 56 VAL H . . 5.900 3.009 1.916 4.120 . 0 0 "[ . 1 . 2 ]" 1
287 1 55 LYS QG 1 56 VAL H . . 4.500 3.647 1.953 4.203 . 0 0 "[ . 1 . 2 ]" 1
288 1 56 VAL H 1 56 VAL HB . . 3.600 3.262 2.609 3.618 0.018 21 0 "[ . 1 . 2 ]" 1
289 1 56 VAL H 1 57 ARG H . . 3.500 3.234 1.901 3.618 0.118 11 0 "[ . 1 . 2 ]" 1
290 1 56 VAL HA 1 57 ARG H . . 3.100 2.610 2.214 3.485 0.385 17 0 "[ . 1 . 2 ]" 1
291 1 56 VAL HB 1 57 ARG H . . 4.500 4.331 1.882 4.510 0.010 16 0 "[ . 1 . 2 ]" 1
292 1 56 VAL QG 1 57 ARG H . . 6.900 3.315 1.649 3.733 . 0 0 "[ . 1 . 2 ]" 1
293 1 57 ARG H 1 57 ARG HB2 . . 4.100 3.057 2.184 3.888 . 0 0 "[ . 1 . 2 ]" 1
294 1 57 ARG H 1 57 ARG HB3 . . 4.000 3.413 2.846 4.065 0.065 17 0 "[ . 1 . 2 ]" 1
295 1 57 ARG H 1 57 ARG QD . . 4.900 3.851 2.015 4.426 . 0 0 "[ . 1 . 2 ]" 1
296 1 57 ARG H 1 57 ARG QG . . 4.700 3.291 1.931 4.227 . 0 0 "[ . 1 . 2 ]" 1
297 1 57 ARG H 1 58 LYS H . . 4.000 3.727 3.107 4.308 0.308 9 0 "[ . 1 . 2 ]" 1
298 1 57 ARG HA 1 58 LYS H . . 3.000 2.528 2.228 3.072 0.072 15 0 "[ . 1 . 2 ]" 1
299 1 58 LYS H 1 58 LYS QD . . 4.600 4.100 3.854 4.171 . 0 0 "[ . 1 . 2 ]" 1
300 1 58 LYS H 1 58 LYS HG2 . . 3.200 2.850 2.148 3.200 . 0 0 "[ . 1 . 2 ]" 1
301 1 58 LYS H 1 58 LYS HG3 . . 3.100 2.474 1.972 3.200 0.100 10 0 "[ . 1 . 2 ]" 1
302 1 58 LYS HA 1 59 HIS H . . 3.100 2.446 2.178 2.694 . 0 0 "[ . 1 . 2 ]" 1
303 1 58 LYS QB 1 59 HIS H . . 5.400 3.101 2.091 4.099 . 0 0 "[ . 1 . 2 ]" 1
304 1 59 HIS H 1 59 HIS HB2 . . 4.300 3.184 2.126 4.015 . 0 0 "[ . 1 . 2 ]" 1
305 1 59 HIS H 1 59 HIS HB3 . . 4.000 3.402 2.679 3.954 . 0 0 "[ . 1 . 2 ]" 1
306 1 59 HIS H 1 60 GLN H . . 3.600 3.296 2.357 3.668 0.068 7 0 "[ . 1 . 2 ]" 1
307 1 59 HIS HA 1 60 GLN H . . 3.200 2.614 2.196 3.333 0.133 21 0 "[ . 1 . 2 ]" 1
308 1 60 GLN H 1 60 GLN HB2 . . 4.100 3.257 2.132 4.056 . 0 0 "[ . 1 . 2 ]" 1
309 1 60 GLN H 1 60 GLN HB3 . . 3.800 3.415 2.548 4.059 0.259 1 0 "[ . 1 . 2 ]" 1
310 1 60 GLN H 1 60 GLN QG . . 4.000 2.782 1.922 3.553 . 0 0 "[ . 1 . 2 ]" 1
311 1 60 GLN HA 1 61 ARG H . . 3.900 2.580 2.222 3.643 . 0 0 "[ . 1 . 2 ]" 1
312 1 60 GLN HB2 1 61 ARG H . . 4.500 3.766 2.133 4.743 0.243 7 0 "[ . 1 . 2 ]" 1
313 1 61 ARG H 1 61 ARG QG . . 4.600 2.998 1.974 4.023 . 0 0 "[ . 1 . 2 ]" 1
314 1 61 ARG HA 1 62 LYS H . . 2.900 2.394 2.229 2.691 . 0 0 "[ . 1 . 2 ]" 1
315 1 62 LYS H 1 62 LYS HA . . 3.100 2.784 2.209 2.932 . 0 0 "[ . 1 . 2 ]" 1
316 1 62 LYS H 1 62 LYS QD . . 3.400 2.476 1.826 3.114 . 0 0 "[ . 1 . 2 ]" 1
317 1 62 LYS H 1 62 LYS QG . . 4.200 2.841 1.952 3.804 . 0 0 "[ . 1 . 2 ]" 1
318 1 62 LYS HA 1 63 PHE H . . 3.200 2.580 2.194 3.121 . 0 0 "[ . 1 . 2 ]" 1
319 1 62 LYS HA 1 63 PHE QD . . 8.000 4.259 2.466 5.877 . 0 0 "[ . 1 . 2 ]" 1
320 1 62 LYS QD 1 63 PHE H . . 4.900 4.160 3.185 4.431 . 0 0 "[ . 1 . 2 ]" 1
321 1 63 PHE H 1 63 PHE HB2 . . 4.000 2.991 2.016 3.982 . 0 0 "[ . 1 . 2 ]" 1
322 1 63 PHE H 1 63 PHE HB3 . . 4.000 3.381 2.248 3.999 . 0 0 "[ . 1 . 2 ]" 1
323 1 63 PHE HA 1 64 LEU H . . 3.100 2.342 2.194 2.654 . 0 0 "[ . 1 . 2 ]" 1
324 1 63 PHE HB2 1 64 LEU H . . 4.400 4.042 2.643 4.600 0.200 15 0 "[ . 1 . 2 ]" 1
325 1 63 PHE HB3 1 64 LEU H . . 4.600 3.664 2.339 4.555 . 0 0 "[ . 1 . 2 ]" 1
326 1 64 LEU H 1 64 LEU HG . . 3.000 2.703 2.013 3.127 0.127 8 0 "[ . 1 . 2 ]" 1
327 1 64 LEU HA 1 65 GLN H . . 3.700 2.819 2.359 3.632 . 0 0 "[ . 1 . 2 ]" 1
328 1 64 LEU QB 1 65 GLN H . . 6.900 2.680 1.940 3.623 . 0 0 "[ . 1 . 2 ]" 1
329 1 64 LEU QD 1 65 GLN H . . 8.200 2.944 2.236 3.562 . 0 0 "[ . 1 . 2 ]" 1
330 1 64 LEU HG 1 65 GLN H . . 3.700 3.223 1.969 3.813 0.113 8 0 "[ . 1 . 2 ]" 1
331 1 65 GLN H 1 65 GLN HB2 . . 3.600 3.102 2.051 3.791 0.191 19 0 "[ . 1 . 2 ]" 1
332 1 65 GLN H 1 65 GLN HB3 . . 3.500 3.005 2.278 3.712 0.212 18 0 "[ . 1 . 2 ]" 1
333 1 65 GLN H 1 65 GLN QG . . 4.000 2.788 1.932 3.788 . 0 0 "[ . 1 . 2 ]" 1
334 1 65 GLN HA 1 66 ALA H . . 5.400 2.668 2.203 3.646 . 0 0 "[ . 1 . 2 ]" 1
335 1 65 GLN HB2 1 66 ALA H . . 5.000 3.448 1.951 4.690 . 0 0 "[ . 1 . 2 ]" 1
336 1 65 GLN HB3 1 66 ALA H . . 5.500 3.795 2.270 4.681 . 0 0 "[ . 1 . 2 ]" 1
337 1 65 GLN QG 1 66 ALA H . . 8.000 3.629 1.781 4.597 . 0 0 "[ . 1 . 2 ]" 1
338 1 66 ALA H 1 67 ILE H . . 3.300 3.021 1.884 3.413 0.113 22 0 "[ . 1 . 2 ]" 1
339 1 66 ALA HA 1 67 ILE H . . 3.100 2.631 2.226 3.454 0.354 22 0 "[ . 1 . 2 ]" 1
340 1 66 ALA MB 1 67 ILE H . . 4.200 3.523 1.831 3.760 . 0 0 "[ . 1 . 2 ]" 1
341 1 67 ILE H 1 67 ILE HB . . 3.600 3.063 2.306 3.758 0.158 12 0 "[ . 1 . 2 ]" 1
342 1 67 ILE H 1 67 ILE QG . . 2.600 2.516 1.876 3.176 0.576 19 1 "[ . 1 . +2 ]" 1
343 1 67 ILE H 1 67 ILE MG . . 4.700 3.395 1.913 4.047 . 0 0 "[ . 1 . 2 ]" 1
344 1 67 ILE H 1 68 HIS H . . 3.400 3.211 2.041 3.599 0.199 20 0 "[ . 1 . 2 ]" 1
345 1 67 ILE HA 1 68 HIS H . . 3.400 3.266 2.260 3.632 0.232 12 0 "[ . 1 . 2 ]" 1
346 1 67 ILE HA 1 69 GLN H . . 5.000 4.674 3.533 5.050 0.050 7 0 "[ . 1 . 2 ]" 1
347 1 67 ILE HB 1 68 HIS H . . 4.700 2.808 1.922 4.699 . 0 0 "[ . 1 . 2 ]" 1
348 1 67 ILE QG 1 68 HIS H . . 3.600 3.224 1.960 4.404 0.804 20 1 "[ . 1 . + ]" 1
349 1 67 ILE MG 1 68 HIS H . . 4.700 2.994 1.901 3.993 . 0 0 "[ . 1 . 2 ]" 1
350 1 68 HIS H 1 68 HIS HB2 . . 4.400 2.803 2.130 3.974 . 0 0 "[ . 1 . 2 ]" 1
351 1 68 HIS H 1 68 HIS HB3 . . 3.900 3.218 2.394 3.956 0.056 7 0 "[ . 1 . 2 ]" 1
352 1 68 HIS HA 1 69 GLN H . . 3.300 2.598 2.254 3.514 0.214 7 0 "[ . 1 . 2 ]" 1
353 1 68 HIS HB2 1 69 GLN H . . 4.600 4.517 2.079 4.735 0.135 14 0 "[ . 1 . 2 ]" 1
354 1 68 HIS HB3 1 69 GLN H . . 4.800 4.348 2.153 4.703 . 0 0 "[ . 1 . 2 ]" 1
355 1 69 GLN H 1 69 GLN HA . . 3.000 2.633 2.170 2.917 . 0 0 "[ . 1 . 2 ]" 1
356 1 69 GLN H 1 69 GLN HB2 . . 3.900 3.042 2.093 3.892 . 0 0 "[ . 1 . 2 ]" 1
357 1 69 GLN H 1 69 GLN HB3 . . 3.700 3.558 2.525 3.906 0.206 13 0 "[ . 1 . 2 ]" 1
358 1 69 GLN H 1 69 GLN QG . . 4.100 2.965 2.020 3.731 . 0 0 "[ . 1 . 2 ]" 1
359 1 69 GLN HA 1 70 LEU H . . 3.300 2.511 2.204 2.774 . 0 0 "[ . 1 . 2 ]" 1
360 1 69 GLN HB2 1 70 LEU H . . 4.400 3.950 2.918 4.746 0.346 18 0 "[ . 1 . 2 ]" 1
361 1 69 GLN HB3 1 70 LEU H . . 5.400 3.339 2.090 4.723 . 0 0 "[ . 1 . 2 ]" 1
362 1 69 GLN QG 1 70 LEU H . . 5.700 3.754 1.943 4.510 . 0 0 "[ . 1 . 2 ]" 1
363 1 70 LEU H 1 70 LEU HG . . 2.700 2.571 2.331 2.698 . 0 0 "[ . 1 . 2 ]" 1
364 1 70 LEU HA 1 71 ARG H . . 5.100 2.530 2.188 3.640 . 0 0 "[ . 1 . 2 ]" 1
365 1 70 LEU QB 1 71 ARG H . . 6.700 2.841 1.941 3.995 . 0 0 "[ . 1 . 2 ]" 1
366 1 70 LEU QD 1 71 ARG H . . 9.400 3.538 2.308 4.517 . 0 0 "[ . 1 . 2 ]" 1
367 1 70 LEU HG 1 71 ARG H . . 7.000 4.550 3.391 5.146 . 0 0 "[ . 1 . 2 ]" 1
368 1 71 ARG H 1 71 ARG QG . . 4.300 2.942 1.942 3.885 . 0 0 "[ . 1 . 2 ]" 1
369 1 71 ARG HA 1 72 SER H . . 3.300 2.446 2.225 2.774 . 0 0 "[ . 1 . 2 ]" 1
370 1 71 ARG QB 1 72 SER H . . 5.700 3.037 2.358 4.101 . 0 0 "[ . 1 . 2 ]" 1
371 1 71 ARG QG 1 72 SER H . . 5.200 3.817 3.182 4.488 . 0 0 "[ . 1 . 2 ]" 1
372 1 72 SER H 1 72 SER HA . . 2.900 2.616 2.169 2.895 . 0 0 "[ . 1 . 2 ]" 1
373 1 72 SER H 1 72 SER QB . . 3.800 2.920 2.031 3.436 . 0 0 "[ . 1 . 2 ]" 1
374 1 72 SER HA 1 73 VAL H . . 3.000 2.420 2.216 2.811 . 0 0 "[ . 1 . 2 ]" 1
375 1 72 SER HA 1 74 LYS H . . 4.600 4.001 2.880 4.624 0.024 11 0 "[ . 1 . 2 ]" 1
376 1 72 SER QB 1 73 VAL H . . 4.800 3.240 2.246 4.022 . 0 0 "[ . 1 . 2 ]" 1
377 1 72 SER QB 1 74 LYS H . . 6.400 3.084 1.939 4.727 . 0 0 "[ . 1 . 2 ]" 1
378 1 72 SER QB 1 75 MET H . . 6.200 4.852 3.162 5.666 . 0 0 "[ . 1 . 2 ]" 1
379 1 73 VAL H 1 73 VAL HB . . 3.500 2.828 2.263 3.529 0.029 6 0 "[ . 1 . 2 ]" 1
380 1 73 VAL H 1 73 VAL MG1 . . 3.700 2.960 1.937 4.011 0.311 4 0 "[ . 1 . 2 ]" 1
381 1 73 VAL HA 1 74 LYS H . . 3.400 3.053 2.414 3.616 0.216 11 0 "[ . 1 . 2 ]" 1
382 1 73 VAL HB 1 74 LYS H . . 4.500 4.123 2.055 4.500 . 0 0 "[ . 1 . 2 ]" 1
383 1 73 VAL MG1 1 74 LYS H . . 4.700 3.636 2.110 4.345 . 0 0 "[ . 1 . 2 ]" 1
384 1 74 LYS H 1 74 LYS QB . . 3.800 2.931 2.109 3.391 . 0 0 "[ . 1 . 2 ]" 1
385 1 74 LYS H 1 74 LYS QG . . 3.200 3.087 2.087 3.724 0.524 11 2 "[- . 1+ . 2 ]" 1
386 1 74 LYS HA 1 75 MET H . . 3.300 2.471 2.177 3.149 . 0 0 "[ . 1 . 2 ]" 1
387 1 74 LYS QB 1 75 MET H . . 3.900 3.502 1.920 4.075 0.175 22 0 "[ . 1 . 2 ]" 1
388 1 75 MET H 1 75 MET HB2 . . 4.300 3.179 2.154 4.059 . 0 0 "[ . 1 . 2 ]" 1
389 1 75 MET H 1 75 MET HG2 . . 3.100 2.768 2.056 3.194 0.094 19 0 "[ . 1 . 2 ]" 1
390 1 75 MET H 1 75 MET HG3 . . 3.200 2.855 2.057 3.174 . 0 0 "[ . 1 . 2 ]" 1
391 1 75 MET HA 1 76 GLU H . . 3.600 2.696 2.220 3.643 0.043 16 0 "[ . 1 . 2 ]" 1
392 1 75 MET HB2 1 76 GLU H . . 3.900 3.226 1.949 4.613 0.713 11 3 "[ -. 1+* . 2 ]" 1
393 1 75 MET HB3 1 76 GLU H . . 5.700 3.544 2.198 4.729 . 0 0 "[ . 1 . 2 ]" 1
394 1 76 GLU H 1 76 GLU HB2 . . 4.300 3.187 2.175 4.050 . 0 0 "[ . 1 . 2 ]" 1
395 1 76 GLU H 1 76 GLU HB3 . . 4.200 3.439 2.263 4.100 . 0 0 "[ . 1 . 2 ]" 1
396 1 76 GLU H 1 76 GLU QG . . 4.100 3.051 2.079 3.760 . 0 0 "[ . 1 . 2 ]" 1
397 1 76 GLU HA 1 77 GLN H . . 3.200 2.450 2.205 3.193 . 0 0 "[ . 1 . 2 ]" 1
398 1 76 GLU QG 1 77 GLN H . . 4.500 3.673 3.046 4.084 . 0 0 "[ . 1 . 2 ]" 1
399 1 77 GLN H 1 77 GLN HB2 . . 3.200 2.670 2.051 3.538 0.338 18 0 "[ . 1 . 2 ]" 1
400 1 77 GLN H 1 77 GLN HB3 . . 3.500 3.027 2.204 3.658 0.158 15 0 "[ . 1 . 2 ]" 1
401 1 77 GLN H 1 77 GLN QG . . 4.300 3.326 2.400 3.909 . 0 0 "[ . 1 . 2 ]" 1
402 1 77 GLN HA 1 78 ARG H . . 3.300 2.534 2.203 3.103 . 0 0 "[ . 1 . 2 ]" 1
403 1 77 GLN HB2 1 78 ARG H . . 4.800 3.651 2.341 4.669 . 0 0 "[ . 1 . 2 ]" 1
404 1 77 GLN HB3 1 78 ARG H . . 5.900 3.190 2.038 4.430 . 0 0 "[ . 1 . 2 ]" 1
405 1 77 GLN QG 1 78 ARG H . . 6.400 3.010 1.948 4.308 . 0 0 "[ . 1 . 2 ]" 1
406 1 78 ARG H 1 78 ARG QD . . 5.400 4.467 3.908 4.817 . 0 0 "[ . 1 . 2 ]" 1
407 1 78 ARG H 1 78 ARG HG2 . . 3.400 2.880 2.001 3.394 . 0 0 "[ . 1 . 2 ]" 1
408 1 78 ARG H 1 78 ARG HG3 . . 3.200 2.930 2.139 3.396 0.196 23 0 "[ . 1 . 2 ]" 1
409 1 78 ARG HA 1 79 LYS H . . 2.900 2.406 2.227 2.649 . 0 0 "[ . 1 . 2 ]" 1
410 1 79 LYS H 1 79 LYS QG . . 4.300 3.163 2.056 3.909 . 0 0 "[ . 1 . 2 ]" 1
411 1 79 LYS QB 1 80 LEU H . . 8.000 2.811 1.932 4.131 . 0 0 "[ . 1 . 2 ]" 1
412 1 79 LYS QG 1 80 LEU H . . 4.200 2.962 1.995 3.822 . 0 0 "[ . 1 . 2 ]" 1
413 1 80 LEU H 1 80 LEU HG . . 2.900 2.858 1.959 3.227 0.327 17 0 "[ . 1 . 2 ]" 1
414 1 80 LEU HA 1 81 ASN H . . 3.700 2.963 2.368 3.640 . 0 0 "[ . 1 . 2 ]" 1
415 1 80 LEU HA 1 82 ASP H . . 3.700 3.695 3.303 3.815 0.115 1 0 "[ . 1 . 2 ]" 1
416 1 80 LEU QB 1 81 ASN H . . 6.500 2.653 1.892 3.517 . 0 0 "[ . 1 . 2 ]" 1
417 1 80 LEU HG 1 81 ASN H . . 3.400 3.161 2.015 3.713 0.313 7 0 "[ . 1 . 2 ]" 1
418 1 81 ASN H 1 81 ASN HB3 . . 4.100 3.454 2.517 4.046 . 0 0 "[ . 1 . 2 ]" 1
419 1 82 ASP HA 1 83 GLN H . . 4.300 2.700 2.252 3.656 . 0 0 "[ . 1 . 2 ]" 1
420 1 82 ASP QB 1 83 GLN H . . 6.600 3.263 1.940 4.076 . 0 0 "[ . 1 . 2 ]" 1
421 1 83 GLN H 1 83 GLN HB3 . . 4.100 3.518 2.438 4.100 . 0 0 "[ . 1 . 2 ]" 1
422 1 83 GLN H 1 83 GLN QG . . 4.600 3.411 2.051 4.123 . 0 0 "[ . 1 . 2 ]" 1
423 1 83 GLN HA 1 84 ALA H . . 4.600 2.564 2.203 3.645 . 0 0 "[ . 1 . 2 ]" 1
424 1 83 GLN HB2 1 84 ALA H . . 5.000 4.033 2.073 4.741 . 0 0 "[ . 1 . 2 ]" 1
425 1 83 GLN HB3 1 84 ALA H . . 5.200 3.802 2.214 4.586 . 0 0 "[ . 1 . 2 ]" 1
426 1 84 ALA H 1 84 ALA MB . . 3.500 2.535 2.002 2.899 . 0 0 "[ . 1 . 2 ]" 1
427 1 84 ALA HA 1 85 ASN H . . 3.500 2.684 2.188 3.520 0.020 13 0 "[ . 1 . 2 ]" 1
428 1 84 ALA MB 1 85 ASN H . . 4.700 3.070 1.884 3.791 . 0 0 "[ . 1 . 2 ]" 1
429 1 85 ASN H 1 85 ASN HB2 . . 4.400 3.152 2.155 4.013 . 0 0 "[ . 1 . 2 ]" 1
430 1 85 ASN H 1 86 THR H . . 4.300 3.783 2.049 4.356 0.056 14 0 "[ . 1 . 2 ]" 1
431 1 85 ASN HA 1 86 THR H . . 3.500 2.611 2.252 3.631 0.131 19 0 "[ . 1 . 2 ]" 1
432 1 85 ASN HB2 1 86 THR H . . 4.900 3.883 2.069 4.745 . 0 0 "[ . 1 . 2 ]" 1
433 1 85 ASN HB3 1 86 THR H . . 4.900 3.701 1.987 4.647 . 0 0 "[ . 1 . 2 ]" 1
434 1 86 THR H 1 86 THR MG . . 4.300 2.719 1.870 3.678 . 0 0 "[ . 1 . 2 ]" 1
435 1 86 THR H 1 87 LEU H . . 3.800 3.222 2.319 3.822 0.022 9 0 "[ . 1 . 2 ]" 1
436 1 86 THR HA 1 87 LEU H . . 3.900 2.852 2.152 3.633 . 0 0 "[ . 1 . 2 ]" 1
437 1 86 THR MG 1 87 LEU H . . 6.300 3.900 1.932 4.401 . 0 0 "[ . 1 . 2 ]" 1
438 1 87 LEU H 1 87 LEU HG . . 3.200 2.454 1.943 3.207 0.007 6 0 "[ . 1 . 2 ]" 1
439 1 87 LEU H 1 88 VAL H . . 3.000 2.236 1.862 3.039 0.039 10 0 "[ . 1 . 2 ]" 1
440 1 87 LEU HA 1 88 VAL H . . 3.400 3.470 3.271 3.606 0.206 16 0 "[ . 1 . 2 ]" 1
441 1 87 LEU QB 1 88 VAL H . . 6.100 3.405 1.964 3.985 . 0 0 "[ . 1 . 2 ]" 1
442 1 87 LEU HG 1 88 VAL H . . 3.200 2.607 1.999 3.201 0.001 21 0 "[ . 1 . 2 ]" 1
443 1 88 VAL H 1 88 VAL HB . . 3.700 3.205 2.445 3.831 0.131 5 0 "[ . 1 . 2 ]" 1
444 1 88 VAL H 1 89 ASP H . . 3.200 3.034 2.481 3.253 0.053 2 0 "[ . 1 . 2 ]" 1
445 1 88 VAL HA 1 89 ASP H . . 3.300 2.744 2.343 3.532 0.232 11 0 "[ . 1 . 2 ]" 1
446 1 88 VAL HB 1 89 ASP H . . 4.800 4.297 1.956 4.688 . 0 0 "[ . 1 . 2 ]" 1
447 1 88 VAL QG 1 89 ASP H . . 6.700 3.340 1.661 3.716 . 0 0 "[ . 1 . 2 ]" 1
448 1 89 ASP H 1 89 ASP HB2 . . 4.100 3.074 2.005 4.078 . 0 0 "[ . 1 . 2 ]" 1
449 1 89 ASP H 1 89 ASP HB3 . . 3.900 3.336 2.630 4.088 0.188 17 0 "[ . 1 . 2 ]" 1
450 1 89 ASP HA 1 90 LEU H . . 3.600 2.714 2.265 3.594 . 0 0 "[ . 1 . 2 ]" 1
451 1 89 ASP HA 1 91 ALA H . . 3.300 3.251 2.990 3.461 0.161 6 0 "[ . 1 . 2 ]" 1
452 1 89 ASP HA 1 92 LYS H . . 4.700 4.269 3.262 4.864 0.164 5 0 "[ . 1 . 2 ]" 1
453 1 89 ASP HB2 1 90 LEU H . . 5.000 3.949 1.960 4.725 . 0 0 "[ . 1 . 2 ]" 1
454 1 89 ASP HB3 1 90 LEU H . . 4.800 3.706 2.012 4.709 . 0 0 "[ . 1 . 2 ]" 1
455 1 90 LEU H 1 90 LEU HG . . 3.700 3.063 1.959 4.095 0.395 13 0 "[ . 1 . 2 ]" 1
456 1 90 LEU HA 1 91 ALA H . . 4.700 3.213 2.943 3.610 . 0 0 "[ . 1 . 2 ]" 1
457 1 90 LEU QB 1 91 ALA H . . 8.000 3.900 2.623 4.111 . 0 0 "[ . 1 . 2 ]" 1
458 1 90 LEU QD 1 91 ALA H . . 9.400 3.818 2.521 4.265 . 0 0 "[ . 1 . 2 ]" 1
459 1 90 LEU HG 1 91 ALA H . . 3.800 3.390 2.333 3.904 0.104 22 0 "[ . 1 . 2 ]" 1
460 1 91 ALA H 1 92 LYS H . . 3.500 2.761 1.917 3.406 . 0 0 "[ . 1 . 2 ]" 1
461 1 91 ALA HA 1 92 LYS H . . 3.800 3.016 2.304 3.642 . 0 0 "[ . 1 . 2 ]" 1
462 1 91 ALA MB 1 92 LYS H . . 5.100 3.081 2.065 3.792 . 0 0 "[ . 1 . 2 ]" 1
463 1 92 LYS H 1 92 LYS QD . . 4.800 3.857 2.088 4.305 . 0 0 "[ . 1 . 2 ]" 1
464 1 92 LYS HA 1 93 THR H . . 3.600 2.797 2.193 3.617 0.017 21 0 "[ . 1 . 2 ]" 1
465 1 92 LYS QB 1 93 THR H . . 5.400 2.891 1.941 4.116 . 0 0 "[ . 1 . 2 ]" 1
466 1 92 LYS QG 1 93 THR H . . 4.700 3.320 1.932 4.204 . 0 0 "[ . 1 . 2 ]" 1
467 1 93 THR H 1 93 THR MG . . 3.900 2.390 2.023 3.108 . 0 0 "[ . 1 . 2 ]" 1
468 1 93 THR H 1 94 GLN H . . 3.700 2.975 1.881 3.687 . 0 0 "[ . 1 . 2 ]" 1
469 1 93 THR HA 1 94 GLN H . . 3.400 2.750 2.184 3.565 0.165 17 0 "[ . 1 . 2 ]" 1
470 1 93 THR HB 1 94 GLN H . . 4.800 4.477 4.199 4.729 . 0 0 "[ . 1 . 2 ]" 1
471 1 93 THR MG 1 94 GLN H . . 6.000 3.860 2.190 4.447 . 0 0 "[ . 1 . 2 ]" 1
472 1 94 GLN H 1 94 GLN QG . . 4.500 3.368 2.004 4.063 . 0 0 "[ . 1 . 2 ]" 1
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