NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
373668 |
1dx7   |
4303 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dx7
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 421
_Distance_constraint_stats_list.Viol_count 778
_Distance_constraint_stats_list.Viol_total 633.296
_Distance_constraint_stats_list.Viol_max 0.987
_Distance_constraint_stats_list.Viol_rms 0.0925
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0418
_Distance_constraint_stats_list.Viol_average_violations_only 0.1357
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.155 0.082 3 0 "[ . ]"
1 3 LYS 1.604 0.446 1 0 "[ . ]"
1 4 SER 2.467 0.672 1 1 "[+ . ]"
1 5 ASP 2.074 0.708 1 1 "[+ . ]"
1 6 LEU 4.658 0.446 1 0 "[ . ]"
1 7 GLY 3.151 0.672 1 1 "[+ . ]"
1 8 TYR 7.202 0.409 6 0 "[ . ]"
1 9 THR 2.464 0.708 1 1 "[+ . ]"
1 10 GLY 0.330 0.107 3 0 "[ . ]"
1 11 LEU 7.237 0.404 5 0 "[ . ]"
1 12 THR 4.287 0.367 3 0 "[ . ]"
1 13 ASP 6.459 0.367 3 0 "[ . ]"
1 14 GLU 5.575 0.350 1 0 "[ . ]"
1 15 GLN 8.966 0.472 3 0 "[ . ]"
1 16 ALA 5.080 0.368 3 0 "[ . ]"
1 17 GLN 5.606 0.346 6 0 "[ . ]"
1 18 GLU 4.395 0.472 3 0 "[ . ]"
1 19 LEU 5.540 0.496 4 0 "[ . ]"
1 20 HIS 8.744 0.400 3 0 "[ . ]"
1 21 SER 6.596 0.435 3 0 "[ . ]"
1 22 VAL 7.573 0.435 3 0 "[ . ]"
1 23 TYR 2.967 0.247 3 0 "[ . ]"
1 24 MET 1.700 0.357 3 0 "[ . ]"
1 25 SER 0.000 0.000 . 0 "[ . ]"
1 26 GLY 1.260 0.203 4 0 "[ . ]"
1 27 LEU 2.272 0.203 4 0 "[ . ]"
1 28 TRP 4.711 0.322 2 0 "[ . ]"
1 29 LEU 3.718 0.322 2 0 "[ . ]"
1 30 PHE 4.117 0.369 5 0 "[ . ]"
1 31 SER 1.969 0.319 2 0 "[ . ]"
1 32 ALA 2.151 0.283 5 0 "[ . ]"
1 33 VAL 6.402 0.488 4 0 "[ . ]"
1 34 ALA 3.897 0.367 6 0 "[ . ]"
1 35 ILE 11.931 0.545 4 1 "[ +. ]"
1 36 VAL 11.135 0.987 3 2 "[ +-. ]"
1 37 ALA 3.403 0.372 3 0 "[ . ]"
1 38 HIS 5.286 0.367 6 0 "[ . ]"
1 39 LEU 2.141 0.293 3 0 "[ . ]"
1 40 ALA 3.157 0.987 3 1 "[ + . ]"
1 41 VAL 3.314 0.987 3 1 "[ + . ]"
1 42 TYR 1.245 0.175 6 0 "[ . ]"
1 43 ILE 0.623 0.117 6 0 "[ . ]"
1 44 TRP 1.410 0.191 6 0 "[ . ]"
1 45 ARG 1.477 0.260 2 0 "[ . ]"
1 46 PRO 0.768 0.260 2 0 "[ . ]"
1 47 TRP 0.541 0.073 3 0 "[ . ]"
1 48 PHE 0.309 0.073 3 0 "[ . ]"
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 H 1 4 SER H 3.400 . 3.400 2.690 1.932 3.564 0.164 6 0 "[ . ]" 1
2 1 4 SER H 1 5 ASP H 3.400 . 3.400 2.611 2.020 3.685 0.285 6 0 "[ . ]" 1
3 1 5 ASP H 1 6 LEU H 3.800 . 3.800 2.727 2.289 3.160 . 0 0 "[ . ]" 1
4 1 6 LEU H 1 7 GLY H 3.400 . 3.400 2.546 1.775 3.009 0.025 6 0 "[ . ]" 1
5 1 8 TYR H 1 9 THR H 3.800 . 3.800 2.634 2.223 3.068 . 0 0 "[ . ]" 1
6 1 11 LEU H 1 12 THR H 3.400 . 3.400 2.904 2.696 3.363 . 0 0 "[ . ]" 1
7 1 12 THR H 1 13 ASP H 3.100 . 3.100 2.991 2.573 3.149 0.049 2 0 "[ . ]" 1
8 1 15 GLN H 1 16 ALA H 3.100 . 3.100 2.373 2.043 2.549 . 0 0 "[ . ]" 1
9 1 16 ALA H 1 17 GLN H 3.400 . 3.400 2.594 2.532 2.666 . 0 0 "[ . ]" 1
10 1 17 GLN H 1 18 GLU H 3.400 . 3.400 2.282 2.200 2.330 . 0 0 "[ . ]" 1
11 1 21 SER H 1 22 VAL H 4.200 . 4.200 3.219 2.936 3.363 . 0 0 "[ . ]" 1
12 1 24 MET H 1 25 SER H 3.800 . 3.800 3.001 2.772 3.195 . 0 0 "[ . ]" 1
13 1 26 GLY H 1 27 LEU H 3.400 . 3.400 2.600 2.416 2.808 . 0 0 "[ . ]" 1
14 1 27 LEU H 1 28 TRP H 4.200 . 4.200 2.659 2.198 3.055 . 0 0 "[ . ]" 1
15 1 29 LEU H 1 30 PHE H 3.100 . 3.100 2.450 2.192 2.652 . 0 0 "[ . ]" 1
16 1 30 PHE H 1 31 SER H 3.100 . 3.100 2.588 2.344 2.730 . 0 0 "[ . ]" 1
17 1 34 ALA H 1 35 ILE H 3.100 . 3.100 2.789 2.581 2.896 . 0 0 "[ . ]" 1
18 1 35 ILE H 1 36 VAL H 3.800 . 3.800 2.742 2.604 2.799 . 0 0 "[ . ]" 1
19 1 36 VAL H 1 37 ALA H 3.100 . 3.100 2.467 2.295 2.596 . 0 0 "[ . ]" 1
20 1 37 ALA H 1 38 HIS H 3.800 . 3.800 2.660 2.202 2.828 . 0 0 "[ . ]" 1
21 1 38 HIS H 1 39 LEU H 3.400 . 3.400 2.543 2.456 2.771 . 0 0 "[ . ]" 1
22 1 39 LEU H 1 40 ALA H 3.400 . 3.400 2.945 2.607 3.693 0.293 3 0 "[ . ]" 1
23 1 40 ALA H 1 41 VAL H 3.400 . 3.400 3.097 2.917 3.360 . 0 0 "[ . ]" 1
24 1 41 VAL H 1 42 TYR H 3.100 . 3.100 2.807 2.409 3.210 0.110 6 0 "[ . ]" 1
25 1 42 TYR H 1 43 ILE H 3.400 . 3.400 2.651 2.441 2.810 . 0 0 "[ . ]" 1
26 1 43 ILE H 1 44 TRP H 3.400 . 3.400 2.440 2.036 3.028 . 0 0 "[ . ]" 1
27 1 44 TRP H 1 45 ARG H 3.100 . 3.100 2.545 2.286 3.218 0.118 6 0 "[ . ]" 1
28 1 47 TRP H 1 48 PHE H 4.600 . 4.600 2.005 1.871 2.157 . 0 0 "[ . ]" 1
29 1 2 ASP HA 1 3 LYS H 3.400 . 3.400 3.005 2.203 3.482 0.082 3 0 "[ . ]" 1
30 1 3 LYS HA 1 4 SER H 3.400 . 3.400 3.173 1.995 3.502 0.102 5 0 "[ . ]" 1
31 1 4 SER HA 1 5 ASP H 4.200 . 4.200 3.160 2.138 3.485 . 0 0 "[ . ]" 1
32 1 5 ASP HA 1 6 LEU H 3.800 . 3.800 3.265 2.648 3.559 . 0 0 "[ . ]" 1
33 1 7 GLY QA 1 8 TYR H 3.800 . 3.800 2.722 2.623 2.908 . 0 0 "[ . ]" 1
34 1 8 TYR HA 1 9 THR H 3.400 . 3.400 3.437 3.363 3.486 0.086 2 0 "[ . ]" 1
35 1 10 GLY QA 1 11 LEU H 3.800 . 3.800 2.648 2.422 2.858 . 0 0 "[ . ]" 1
36 1 11 LEU HA 1 12 THR H 4.200 . 4.200 3.521 3.476 3.584 . 0 0 "[ . ]" 1
37 1 12 THR HA 1 13 ASP H 3.100 . 3.100 3.410 3.313 3.467 0.367 3 0 "[ . ]" 1
38 1 13 ASP HA 1 14 GLU H 4.200 . 4.200 3.538 3.496 3.614 . 0 0 "[ . ]" 1
39 1 14 GLU HA 1 15 GLN H 3.800 . 3.800 3.508 3.311 3.593 . 0 0 "[ . ]" 1
40 1 15 GLN HA 1 16 ALA H 3.100 . 3.100 3.449 3.434 3.468 0.368 3 0 "[ . ]" 1
41 1 16 ALA HA 1 17 GLN H 3.400 . 3.400 3.498 3.489 3.505 0.105 4 0 "[ . ]" 1
42 1 17 GLN HA 1 18 GLU H 3.400 . 3.400 3.496 3.483 3.512 0.112 4 0 "[ . ]" 1
43 1 18 GLU HA 1 19 LEU H 4.200 . 4.200 3.440 3.396 3.468 . 0 0 "[ . ]" 1
44 1 19 LEU HA 1 20 HIS H 3.400 . 3.400 3.466 3.376 3.518 0.118 4 0 "[ . ]" 1
45 1 20 HIS HA 1 21 SER H 4.600 . 4.600 3.574 3.551 3.622 . 0 0 "[ . ]" 1
46 1 21 SER HA 1 22 VAL H 3.400 . 3.400 3.452 3.444 3.472 0.072 4 0 "[ . ]" 1
47 1 22 VAL HA 1 23 TYR H 4.200 . 4.200 3.541 3.492 3.574 . 0 0 "[ . ]" 1
48 1 23 TYR HA 1 24 MET H 3.800 . 3.800 3.555 3.504 3.585 . 0 0 "[ . ]" 1
49 1 24 MET HA 1 25 SER H 4.200 . 4.200 3.514 3.390 3.583 . 0 0 "[ . ]" 1
50 1 26 GLY QA 1 27 LEU H 3.100 . 3.100 2.862 2.792 2.916 . 0 0 "[ . ]" 1
51 1 27 LEU HA 1 28 TRP H 3.800 . 3.800 3.547 3.391 3.593 . 0 0 "[ . ]" 1
52 1 28 TRP HA 1 29 LEU H 3.100 . 3.100 3.343 3.238 3.422 0.322 2 0 "[ . ]" 1
53 1 29 LEU HA 1 30 PHE H 4.200 . 4.200 3.559 3.496 3.595 . 0 0 "[ . ]" 1
54 1 30 PHE HA 1 31 SER H 3.100 . 3.100 3.349 3.286 3.419 0.319 2 0 "[ . ]" 1
55 1 31 SER HA 1 32 ALA H 4.600 . 4.600 3.461 3.250 3.597 . 0 0 "[ . ]" 1
56 1 32 ALA HA 1 33 VAL H 4.600 . 4.600 3.597 3.586 3.627 . 0 0 "[ . ]" 1
57 1 33 VAL HA 1 34 ALA H 4.200 . 4.200 3.569 3.537 3.597 . 0 0 "[ . ]" 1
58 1 34 ALA HA 1 35 ILE H 4.600 . 4.600 3.534 3.486 3.558 . 0 0 "[ . ]" 1
59 1 35 ILE HA 1 36 VAL H 3.800 . 3.800 3.500 3.481 3.536 . 0 0 "[ . ]" 1
60 1 36 VAL HA 1 37 ALA H 4.200 . 4.200 3.517 3.379 3.560 . 0 0 "[ . ]" 1
61 1 39 LEU HA 1 40 ALA H 4.200 . 4.200 3.529 3.354 3.570 . 0 0 "[ . ]" 1
62 1 40 ALA HA 1 41 VAL H 3.800 . 3.800 3.525 3.277 3.614 . 0 0 "[ . ]" 1
63 1 41 VAL HA 1 42 TYR H 4.200 . 4.200 3.585 3.551 3.614 . 0 0 "[ . ]" 1
64 1 42 TYR HA 1 43 ILE H 4.200 . 4.200 3.387 3.155 3.563 . 0 0 "[ . ]" 1
65 1 44 TRP HA 1 45 ARG H 3.100 . 3.100 3.118 2.820 3.211 0.111 1 0 "[ . ]" 1
66 1 47 TRP H 1 48 PHE HA 4.200 . 4.200 4.208 4.160 4.237 0.037 6 0 "[ . ]" 1
67 1 2 ASP QB 1 3 LYS H 3.800 . 3.800 2.422 1.830 3.506 . 0 0 "[ . ]" 1
68 1 3 LYS HB3 1 4 SER H 3.800 . 3.800 3.440 1.892 3.899 0.099 6 0 "[ . ]" 1
69 1 3 LYS HB2 1 4 SER H 3.800 . 3.800 3.539 2.417 3.843 0.043 3 0 "[ . ]" 1
70 1 4 SER QB 1 5 ASP H 3.800 . 3.800 3.236 2.935 3.936 0.136 1 0 "[ . ]" 1
71 1 5 ASP QB 1 6 LEU H 3.800 . 3.800 3.331 2.668 3.897 0.097 1 0 "[ . ]" 1
72 1 6 LEU HB3 1 7 GLY H 3.800 . 3.800 3.630 3.139 4.071 0.271 1 0 "[ . ]" 1
73 1 6 LEU HB2 1 7 GLY H 3.800 . 3.800 2.640 1.888 4.221 0.421 1 0 "[ . ]" 1
74 1 6 LEU HG 1 7 GLY H 3.800 . 3.800 4.004 3.958 4.167 0.367 1 0 "[ . ]" 1
75 1 6 LEU QD 1 7 GLY H 3.800 . 3.800 3.712 3.433 4.015 0.215 1 0 "[ . ]" 1
76 1 8 TYR QB 1 9 THR H 3.100 . 3.100 2.677 1.807 3.199 0.099 6 0 "[ . ]" 1
77 1 8 TYR QD 1 9 THR H 4.600 . 4.600 3.352 1.811 3.853 . 0 0 "[ . ]" 1
78 1 8 TYR QD 1 9 THR HG1 4.200 . 4.200 4.073 3.948 4.370 0.170 2 0 "[ . ]" 1
79 1 9 THR HB 1 10 GLY H 3.400 . 3.400 2.290 1.752 3.449 0.049 3 0 "[ . ]" 1
80 1 9 THR HG1 1 10 GLY H 3.400 . 3.400 2.817 1.693 3.208 0.107 3 0 "[ . ]" 1
81 1 11 LEU QB 1 12 THR H 4.600 . 4.600 2.989 1.791 3.501 0.009 4 0 "[ . ]" 1
82 1 11 LEU HG 1 12 THR H 3.800 . 3.800 2.541 2.104 4.125 0.325 4 0 "[ . ]" 1
83 1 11 LEU QD 1 12 THR H 4.200 . 4.200 3.250 3.138 3.349 . 0 0 "[ . ]" 1
84 1 12 THR HB 1 13 ASP H 3.400 . 3.400 2.363 1.837 3.063 . 0 0 "[ . ]" 1
85 1 12 THR HG1 1 13 ASP H 3.800 . 3.800 2.657 1.810 3.448 . 0 0 "[ . ]" 1
86 1 13 ASP HA 1 14 GLU HA 4.200 . 4.200 4.509 4.471 4.550 0.350 1 0 "[ . ]" 1
87 1 13 ASP HB3 1 14 GLU H 3.800 . 3.800 2.984 2.219 3.502 . 0 0 "[ . ]" 1
88 1 13 ASP HB2 1 14 GLU H 3.800 . 3.800 3.344 2.997 3.641 . 0 0 "[ . ]" 1
89 1 14 GLU HB3 1 15 GLN H 4.200 . 4.200 3.144 2.414 4.212 0.012 4 0 "[ . ]" 1
90 1 14 GLU HB2 1 15 GLN H 4.200 . 4.200 3.485 3.200 4.213 0.013 4 0 "[ . ]" 1
91 1 14 GLU QG 1 15 GLN H 4.600 . 4.600 4.000 2.299 4.564 . 0 0 "[ . ]" 1
92 1 15 GLN H 1 16 ALA MB 3.800 . 3.800 3.886 3.721 3.955 0.155 3 0 "[ . ]" 1
93 1 15 GLN QB 1 16 ALA H 2.800 . 2.800 2.483 2.179 2.922 0.122 6 0 "[ . ]" 1
94 1 16 ALA MB 1 17 GLN H 3.100 . 3.100 2.792 2.654 2.877 . 0 0 "[ . ]" 1
95 1 15 GLN QB 1 16 ALA MB 4.600 . 4.600 3.935 3.662 4.455 . 0 0 "[ . ]" 1
96 1 15 GLN QG 1 16 ALA MB 4.600 . 4.600 4.318 3.123 4.773 0.173 5 0 "[ . ]" 1
97 1 17 GLN QB 1 18 GLU H 3.100 . 3.100 3.005 2.828 3.249 0.149 1 0 "[ . ]" 1
98 1 17 GLN QG 1 18 GLU H 4.200 . 4.200 3.667 2.469 4.277 0.077 3 0 "[ . ]" 1
99 1 18 GLU HB3 1 19 LEU H 3.800 . 3.800 3.304 2.973 3.857 0.057 6 0 "[ . ]" 1
100 1 18 GLU HB2 1 19 LEU H 3.800 . 3.800 3.619 3.360 4.036 0.236 6 0 "[ . ]" 1
101 1 19 LEU HB3 1 20 HIS H 3.800 . 3.800 3.788 2.953 4.192 0.392 3 0 "[ . ]" 1
102 1 19 LEU HB2 1 20 HIS H 3.800 . 3.800 3.786 3.176 4.084 0.284 6 0 "[ . ]" 1
103 1 19 LEU QD 1 20 HIS H 4.200 . 4.200 3.117 2.905 3.795 . 0 0 "[ . ]" 1
104 1 19 LEU QD 1 20 HIS HD1 4.600 . 4.600 4.710 4.609 4.928 0.328 4 0 "[ . ]" 1
105 1 20 HIS HB3 1 21 SER H 4.200 . 4.200 2.218 1.871 2.880 . 0 0 "[ . ]" 1
106 1 20 HIS HB2 1 21 SER H 4.200 . 4.200 2.547 2.353 2.668 . 0 0 "[ . ]" 1
107 1 21 SER QB 1 22 VAL H 3.800 . 3.800 1.827 1.727 2.162 0.073 6 0 "[ . ]" 1
108 1 22 VAL HB 1 23 TYR H 3.800 . 3.800 3.858 3.793 3.901 0.101 6 0 "[ . ]" 1
109 1 22 VAL MG1 1 23 TYR H 3.800 . 3.800 2.080 1.746 3.479 0.054 3 0 "[ . ]" 1
110 1 22 VAL MG2 1 23 TYR H 3.800 . 3.800 2.608 1.808 3.136 . 0 0 "[ . ]" 1
111 1 21 SER HA 1 22 VAL QG 3.800 . 3.800 4.164 4.126 4.235 0.435 3 0 "[ . ]" 1
112 1 21 SER QB 1 22 VAL QG 3.100 . 3.100 2.843 2.223 2.988 . 0 0 "[ . ]" 1
113 1 21 SER HB3 1 22 VAL HA 3.800 . 3.800 3.991 3.966 4.031 0.231 4 0 "[ . ]" 1
114 1 21 SER HB2 1 22 VAL HA 3.800 . 3.800 4.066 4.033 4.106 0.306 3 0 "[ . ]" 1
115 1 22 VAL QG 1 23 TYR HA 3.800 . 3.800 2.935 2.832 3.142 . 0 0 "[ . ]" 1
116 1 23 TYR QB 1 24 MET H 3.100 . 3.100 1.903 1.710 2.082 0.090 3 0 "[ . ]" 1
117 1 23 TYR QD 1 24 MET H 4.600 . 4.600 3.638 2.945 3.927 . 0 0 "[ . ]" 1
118 1 23 TYR QD 1 24 MET HA 3.800 . 3.800 3.839 3.500 4.047 0.247 3 0 "[ . ]" 1
119 1 22 VAL QG 1 23 TYR QD 4.600 . 4.600 3.783 2.850 4.229 . 0 0 "[ . ]" 1
120 1 24 MET QB 1 25 SER H 4.600 . 4.600 3.092 1.836 3.554 . 0 0 "[ . ]" 1
121 1 25 SER QB 1 26 GLY H 4.600 . 4.600 2.267 1.891 2.836 . 0 0 "[ . ]" 1
122 1 26 GLY H 1 27 LEU QB 4.200 . 4.200 4.171 3.954 4.283 0.083 5 0 "[ . ]" 1
123 1 27 LEU HB3 1 28 TRP H 3.800 . 3.800 2.747 2.231 3.796 . 0 0 "[ . ]" 1
124 1 27 LEU HB2 1 28 TRP H 3.800 . 3.800 2.996 2.590 3.392 . 0 0 "[ . ]" 1
125 1 27 LEU QD 1 28 TRP H 4.600 . 4.600 3.817 3.413 4.118 . 0 0 "[ . ]" 1
126 1 26 GLY QA 1 27 LEU QB 4.200 . 4.200 4.368 4.339 4.403 0.203 4 0 "[ . ]" 1
127 1 28 TRP QB 1 29 LEU H 3.400 . 3.400 3.116 2.863 3.454 0.054 1 0 "[ . ]" 1
128 1 29 LEU HG 1 30 PHE H 3.100 . 3.100 2.431 2.217 2.708 . 0 0 "[ . ]" 1
129 1 29 LEU QD 1 30 PHE H 3.800 . 3.800 3.232 3.034 3.512 . 0 0 "[ . ]" 1
130 1 29 LEU H 1 30 PHE QB 4.200 . 4.200 4.143 3.922 4.260 0.060 1 0 "[ . ]" 1
131 1 30 PHE QB 1 31 SER H 3.400 . 3.400 3.092 2.757 3.308 . 0 0 "[ . ]" 1
132 1 31 SER QB 1 32 ALA H 4.200 . 4.200 2.808 2.140 3.413 . 0 0 "[ . ]" 1
133 1 32 ALA MB 1 33 VAL H 3.100 . 3.100 2.300 1.992 2.589 . 0 0 "[ . ]" 1
134 1 33 VAL HB 1 34 ALA H 4.200 . 4.200 2.427 2.293 2.558 . 0 0 "[ . ]" 1
135 1 34 ALA MB 1 35 ILE H 3.100 . 3.100 2.216 2.071 2.428 . 0 0 "[ . ]" 1
136 1 34 ALA MB 1 35 ILE HB 4.600 . 4.600 4.661 4.014 4.840 0.240 3 0 "[ . ]" 1
137 1 34 ALA MB 1 35 ILE MD 4.600 . 4.600 3.984 1.924 4.683 0.083 4 0 "[ . ]" 1
138 1 35 ILE HB 1 36 VAL H 3.100 . 3.100 2.913 2.727 3.272 0.172 4 0 "[ . ]" 1
139 1 33 VAL QG 1 36 VAL H 3.100 . 3.100 3.169 1.762 3.488 0.388 2 0 "[ . ]" 1
140 1 35 ILE HB 1 36 VAL QG 4.600 . 4.600 2.980 2.721 3.703 . 0 0 "[ . ]" 1
141 1 35 ILE QG 1 36 VAL QG 3.100 . 3.100 3.528 3.465 3.645 0.545 4 1 "[ +. ]" 1
142 1 36 VAL HB 1 37 ALA H 3.100 . 3.100 2.572 2.364 3.148 0.048 3 0 "[ . ]" 1
143 1 36 VAL QG 1 37 ALA H 3.100 . 3.100 3.238 3.178 3.385 0.285 3 0 "[ . ]" 1
144 1 37 ALA MB 1 38 HIS H 3.100 . 3.100 2.738 2.644 2.816 . 0 0 "[ . ]" 1
145 1 38 HIS HB3 1 39 LEU H 4.200 . 4.200 3.782 3.314 4.413 0.213 3 0 "[ . ]" 1
146 1 38 HIS HB2 1 39 LEU H 4.200 . 4.200 2.640 1.993 3.782 . 0 0 "[ . ]" 1
147 1 36 VAL HA 1 39 LEU QD 3.100 . 3.100 3.032 2.832 3.129 0.029 6 0 "[ . ]" 1
148 1 39 LEU QB 1 40 ALA H 4.200 . 4.200 1.927 1.858 1.994 . 0 0 "[ . ]" 1
149 1 39 LEU HG 1 40 ALA H 4.200 . 4.200 3.693 3.265 3.848 . 0 0 "[ . ]" 1
150 1 39 LEU QD 1 40 ALA H 4.600 . 4.600 3.288 1.661 3.697 0.139 3 0 "[ . ]" 1
151 1 40 ALA MB 1 41 VAL H 3.100 . 3.100 2.688 2.274 3.153 0.053 3 0 "[ . ]" 1
152 1 41 VAL HB 1 42 TYR H 3.800 . 3.800 2.359 2.156 2.479 . 0 0 "[ . ]" 1
153 1 41 VAL MG1 1 42 TYR H 3.800 . 3.800 3.153 2.795 3.859 0.059 3 0 "[ . ]" 1
154 1 41 VAL MG2 1 42 TYR H 4.200 . 4.200 3.734 3.241 3.891 . 0 0 "[ . ]" 1
155 1 40 ALA MB 1 41 VAL HA 4.200 . 4.200 3.742 3.580 3.921 . 0 0 "[ . ]" 1
156 1 40 ALA MB 1 41 VAL QG 3.100 . 3.100 3.072 2.868 3.170 0.070 2 0 "[ . ]" 1
157 1 36 VAL QG 1 40 ALA HA 3.100 . 3.100 3.360 3.151 4.087 0.987 3 1 "[ + . ]" 1
158 1 42 TYR QD 1 43 ILE H 4.600 . 4.600 4.243 3.465 4.628 0.028 5 0 "[ . ]" 1
159 1 43 ILE HB 1 44 TRP HD1 4.600 . 4.600 3.021 2.545 3.670 . 0 0 "[ . ]" 1
160 1 43 ILE MG 1 44 TRP HD1 4.200 . 4.200 2.860 2.265 3.693 . 0 0 "[ . ]" 1
161 1 43 ILE MG 1 44 TRP HA 4.600 . 4.600 3.412 3.154 3.683 . 0 0 "[ . ]" 1
162 1 42 TYR HA 1 45 ARG QB 3.800 . 3.800 3.422 2.774 3.839 0.039 4 0 "[ . ]" 1
163 1 45 ARG HA 1 46 PRO QD 3.100 . 3.100 2.759 2.106 3.360 0.260 2 0 "[ . ]" 1
164 1 47 TRP H 1 48 PHE QB 3.400 . 3.400 3.437 3.404 3.473 0.073 3 0 "[ . ]" 1
165 1 3 LYS HA 1 6 LEU H 3.800 . 3.800 3.832 3.484 4.246 0.446 1 0 "[ . ]" 1
166 1 4 SER HA 1 7 GLY H 3.800 . 3.800 3.820 3.281 4.472 0.672 1 1 "[+ . ]" 1
167 1 5 ASP HA 1 8 TYR H 3.800 . 3.800 3.665 3.040 3.896 0.096 1 0 "[ . ]" 1
168 1 5 ASP HA 1 8 TYR QD 4.200 . 4.200 3.364 2.474 4.325 0.125 1 0 "[ . ]" 1
169 1 5 ASP HA 1 8 TYR QB 3.100 . 3.100 2.892 2.006 3.386 0.286 1 0 "[ . ]" 1
170 1 8 TYR HA 1 11 LEU QB 3.800 . 3.800 2.770 1.711 3.471 0.089 4 0 "[ . ]" 1
171 1 8 TYR HA 1 11 LEU HG 3.800 . 3.800 2.901 2.497 3.990 0.190 4 0 "[ . ]" 1
172 1 8 TYR HA 1 11 LEU QD 3.800 . 3.800 1.816 1.753 2.029 0.047 1 0 "[ . ]" 1
173 1 10 GLY QA 1 13 ASP QB 3.100 . 3.100 2.975 2.728 3.155 0.055 1 0 "[ . ]" 1
174 1 8 TYR QD 1 11 LEU QD 3.100 . 3.100 2.341 1.844 3.028 . 0 0 "[ . ]" 1
175 1 8 TYR QD 1 11 LEU QB 4.600 . 4.600 4.289 2.512 4.856 0.256 3 0 "[ . ]" 1
176 1 8 TYR QD 1 11 LEU HG 4.600 . 4.600 3.351 2.816 4.633 0.033 4 0 "[ . ]" 1
177 1 12 THR HA 1 15 GLN QG 4.600 . 4.600 2.701 2.123 3.025 . 0 0 "[ . ]" 1
178 1 8 TYR QD 1 12 THR HG1 4.200 . 4.200 2.747 2.116 3.346 . 0 0 "[ . ]" 1
179 1 8 TYR QE 1 12 THR HG1 4.200 . 4.200 2.671 2.002 4.174 . 0 0 "[ . ]" 1
180 1 13 ASP HA 1 16 ALA MB 3.100 . 3.100 2.674 2.384 3.101 0.001 4 0 "[ . ]" 1
181 1 11 LEU HG 1 14 GLU H 4.600 . 4.600 4.834 4.768 4.895 0.295 4 0 "[ . ]" 1
182 1 14 GLU HA 1 17 GLN QG 3.100 . 3.100 3.117 3.062 3.173 0.073 3 0 "[ . ]" 1
183 1 12 THR HG1 1 15 GLN QB 4.600 . 4.600 3.568 3.350 3.880 . 0 0 "[ . ]" 1
184 1 13 ASP HA 1 16 ALA H 3.800 . 3.800 4.001 3.890 4.129 0.329 3 0 "[ . ]" 1
185 1 14 GLU QB 1 17 GLN H 4.200 . 4.200 4.492 4.438 4.546 0.346 6 0 "[ . ]" 1
186 1 14 GLU QG 1 17 GLN H 4.600 . 4.600 4.667 4.648 4.692 0.092 6 0 "[ . ]" 1
187 1 17 GLN H 1 20 HIS QB 4.200 . 4.200 4.215 4.150 4.350 0.150 4 0 "[ . ]" 1
188 1 17 GLN HA 1 20 HIS QB 3.100 . 3.100 1.902 1.796 2.031 0.004 6 0 "[ . ]" 1
189 1 15 GLN HA 1 18 GLU H 4.200 . 4.200 2.541 2.391 2.643 . 0 0 "[ . ]" 1
190 1 15 GLN QB 1 18 GLU H 3.800 . 3.800 4.136 4.079 4.272 0.472 3 0 "[ . ]" 1
191 1 19 LEU HA 1 22 VAL QG 2.800 . 2.800 2.665 2.362 2.935 0.135 3 0 "[ . ]" 1
192 1 20 HIS HA 1 23 TYR QB 3.100 . 3.100 2.499 2.347 2.648 . 0 0 "[ . ]" 1
193 1 16 ALA MB 1 20 HIS HD1 4.600 . 4.600 4.008 3.345 4.570 . 0 0 "[ . ]" 1
194 1 17 GLN HA 1 20 HIS H 4.200 . 4.200 2.308 2.285 2.353 . 0 0 "[ . ]" 1
195 1 17 GLN QB 1 20 HIS H 3.800 . 3.800 4.003 3.923 4.093 0.293 1 0 "[ . ]" 1
196 1 17 GLN QG 1 20 HIS H 4.200 . 4.200 4.233 4.140 4.291 0.091 6 0 "[ . ]" 1
197 1 20 HIS HA 1 23 TYR H 4.200 . 4.200 3.660 3.321 3.918 . 0 0 "[ . ]" 1
198 1 20 HIS HA 1 23 TYR QD 4.600 . 4.600 3.688 2.888 4.739 0.139 3 0 "[ . ]" 1
199 1 23 TYR QD 1 27 LEU QB 3.800 . 3.800 3.285 2.260 3.891 0.091 5 0 "[ . ]" 1
200 1 23 TYR QD 1 27 LEU QD 3.800 . 3.800 1.810 1.721 1.944 0.079 3 0 "[ . ]" 1
201 1 23 TYR QE 1 27 LEU QD 3.100 . 3.100 2.526 1.962 3.122 0.022 6 0 "[ . ]" 1
202 1 26 GLY QA 1 29 LEU QB 3.100 . 3.100 2.483 1.832 3.176 0.076 2 0 "[ . ]" 1
203 1 26 GLY QA 1 29 LEU HG 4.600 . 4.600 3.563 1.828 4.643 0.043 3 0 "[ . ]" 1
204 1 26 GLY QA 1 29 LEU QD 3.800 . 3.800 2.058 1.839 2.910 . 0 0 "[ . ]" 1
205 1 24 MET HA 1 27 LEU H 4.200 . 4.200 3.560 3.253 3.848 . 0 0 "[ . ]" 1
206 1 28 TRP HA 1 31 SER QB 3.800 . 3.800 2.744 2.151 3.817 0.017 2 0 "[ . ]" 1
207 1 29 LEU HA 1 32 ALA MB 3.100 . 3.100 3.029 2.510 3.158 0.058 5 0 "[ . ]" 1
208 1 30 PHE HA 1 33 VAL HB 3.100 . 3.100 2.703 2.500 2.944 . 0 0 "[ . ]" 1
209 1 30 PHE HA 1 33 VAL QG 3.100 . 3.100 3.156 3.127 3.196 0.096 2 0 "[ . ]" 1
210 1 28 TRP HA 1 31 SER H 3.800 . 3.800 3.626 3.447 3.959 0.159 2 0 "[ . ]" 1
211 1 31 SER HA 1 34 ALA MB 2.800 . 2.800 2.805 2.535 2.893 0.093 1 0 "[ . ]" 1
212 1 31 SER QB 1 34 ALA MB 4.600 . 4.600 4.442 4.212 4.598 . 0 0 "[ . ]" 1
213 1 29 LEU HA 1 32 ALA H 4.200 . 4.200 3.452 2.498 3.904 . 0 0 "[ . ]" 1
214 1 29 LEU QD 1 32 ALA H 4.600 . 4.600 4.518 4.234 4.678 0.078 2 0 "[ . ]" 1
215 1 32 ALA HA 1 35 ILE HB 3.100 . 3.100 3.164 2.307 3.383 0.283 5 0 "[ . ]" 1
216 1 32 ALA HA 1 35 ILE MG 4.200 . 4.200 3.917 3.201 4.135 . 0 0 "[ . ]" 1
217 1 33 VAL HA 1 36 VAL HB 3.400 . 3.400 2.974 2.734 3.407 0.007 4 0 "[ . ]" 1
218 1 33 VAL HA 1 36 VAL QG 3.100 . 3.100 1.942 1.790 2.623 0.010 2 0 "[ . ]" 1
219 1 33 VAL HA 1 37 ALA H 4.200 . 4.200 4.270 4.241 4.317 0.117 4 0 "[ . ]" 1
220 1 33 VAL QG 1 37 ALA MB 3.400 . 3.400 3.432 3.403 3.452 0.052 6 0 "[ . ]" 1
221 1 34 ALA HA 1 37 ALA MB 2.800 . 2.800 2.301 1.894 2.526 . 0 0 "[ . ]" 1
222 1 32 ALA HA 1 35 ILE H 3.400 . 3.400 3.422 3.218 3.481 0.081 5 0 "[ . ]" 1
223 1 35 ILE HA 1 38 HIS QB 4.200 . 4.200 3.100 2.529 3.890 . 0 0 "[ . ]" 1
224 1 33 VAL HA 1 36 VAL H 3.800 . 3.800 3.210 2.913 3.395 . 0 0 "[ . ]" 1
225 1 33 VAL HB 1 36 VAL H 4.600 . 4.600 4.982 4.891 5.088 0.488 4 0 "[ . ]" 1
226 1 36 VAL HA 1 39 LEU QB 3.800 . 3.800 2.529 2.087 2.777 . 0 0 "[ . ]" 1
227 1 36 VAL HA 1 39 LEU HG 3.400 . 3.400 3.153 1.769 3.463 0.063 2 0 "[ . ]" 1
228 1 34 ALA HA 1 37 ALA H 4.200 . 4.200 2.974 2.745 3.147 . 0 0 "[ . ]" 1
229 1 35 ILE HA 1 38 HIS H 4.200 . 4.200 3.450 3.093 3.929 . 0 0 "[ . ]" 1
230 1 35 ILE MG 1 38 HIS H 4.200 . 4.200 4.419 4.278 4.508 0.308 4 0 "[ . ]" 1
231 1 38 HIS HA 1 41 VAL QG 3.800 . 3.800 3.477 2.847 3.788 . 0 0 "[ . ]" 1
232 1 38 HIS HA 1 41 VAL HB 3.800 . 3.800 3.356 2.793 3.568 . 0 0 "[ . ]" 1
233 1 35 ILE MG 1 38 HIS HD1 4.200 . 4.200 3.702 2.904 4.233 0.033 3 0 "[ . ]" 1
234 1 39 LEU HA 1 42 TYR QB 3.800 . 3.800 3.360 2.806 3.865 0.065 3 0 "[ . ]" 1
235 1 40 ALA HA 1 43 ILE HB 3.400 . 3.400 2.287 2.059 2.505 . 0 0 "[ . ]" 1
236 1 40 ALA HA 1 43 ILE QG 4.200 . 4.200 4.048 3.624 4.204 0.004 4 0 "[ . ]" 1
237 1 40 ALA HA 1 43 ILE MD 3.800 . 3.800 2.818 2.182 3.230 . 0 0 "[ . ]" 1
238 1 38 HIS HA 1 41 VAL H 4.200 . 4.200 4.292 4.194 4.353 0.153 6 0 "[ . ]" 1
239 1 39 LEU HA 1 42 TYR QD 4.200 . 4.200 3.250 1.800 4.353 0.153 3 0 "[ . ]" 1
240 1 39 LEU QD 1 42 TYR QD 4.200 . 4.200 3.765 2.809 4.220 0.020 2 0 "[ . ]" 1
241 1 40 ALA HA 1 43 ILE H 4.600 . 4.600 3.589 3.423 3.743 . 0 0 "[ . ]" 1
242 1 40 ALA MB 1 43 ILE MG 4.200 . 4.200 4.234 4.219 4.255 0.055 6 0 "[ . ]" 1
243 1 40 ALA MB 1 43 ILE MD 4.200 . 4.200 3.925 3.554 4.209 0.009 6 0 "[ . ]" 1
244 1 41 VAL HA 1 44 TRP H 4.600 . 4.600 3.675 3.078 3.953 . 0 0 "[ . ]" 1
245 1 41 VAL HA 1 44 TRP QB 4.600 . 4.600 3.411 2.448 4.740 0.140 6 0 "[ . ]" 1
246 1 41 VAL HA 1 44 TRP HD1 4.600 . 4.600 4.096 1.936 4.607 0.007 3 0 "[ . ]" 1
247 1 44 TRP HA 1 47 TRP HD1 3.800 . 3.800 3.760 3.588 3.872 0.072 5 0 "[ . ]" 1
248 1 8 TYR QD 1 15 GLN QG 3.800 . 3.800 3.818 3.622 3.915 0.115 3 0 "[ . ]" 1
249 1 8 TYR QD 1 15 GLN QB 4.600 . 4.600 4.646 4.527 4.755 0.155 5 0 "[ . ]" 1
250 1 5 ASP HA 1 9 THR H 4.200 . 4.200 4.117 3.463 4.908 0.708 1 1 "[+ . ]" 1
251 1 6 LEU HA 1 9 THR HB 3.800 . 3.800 3.600 2.156 4.108 0.308 1 0 "[ . ]" 1
252 1 6 LEU HA 1 9 THR HG1 3.400 . 3.400 2.435 2.186 2.852 . 0 0 "[ . ]" 1
253 1 8 TYR QB 1 12 THR H 4.600 . 4.600 4.330 2.320 4.831 0.231 1 0 "[ . ]" 1
254 1 15 GLN QB 1 19 LEU QD 4.200 . 4.200 4.270 4.078 4.411 0.211 4 0 "[ . ]" 1
255 1 11 LEU QD 1 15 GLN QB 4.200 . 4.200 2.689 1.750 3.219 0.050 6 0 "[ . ]" 1
256 1 11 LEU HA 1 15 GLN H 3.800 . 3.800 4.097 3.849 4.204 0.404 5 0 "[ . ]" 1
257 1 12 THR HA 1 16 ALA H 3.800 . 3.800 2.944 2.505 3.487 . 0 0 "[ . ]" 1
258 1 12 THR HG1 1 16 ALA H 4.600 . 4.600 3.134 2.690 3.432 . 0 0 "[ . ]" 1
259 1 18 GLU H 1 22 VAL QG 3.800 . 3.800 3.970 3.872 4.024 0.224 2 0 "[ . ]" 1
260 1 18 GLU QB 1 22 VAL QG 4.600 . 4.600 3.636 3.457 3.744 . 0 0 "[ . ]" 1
261 1 18 GLU QG 1 22 VAL QG 4.600 . 4.600 3.439 2.683 3.924 . 0 0 "[ . ]" 1
262 1 20 HIS HD1 1 24 MET QB 4.200 . 4.200 4.135 3.589 4.557 0.357 3 0 "[ . ]" 1
263 1 19 LEU QD 1 23 TYR QD 3.800 . 3.800 2.932 2.560 3.169 . 0 0 "[ . ]" 1
264 1 19 LEU QD 1 23 TYR QE 3.800 . 3.800 3.922 3.838 4.023 0.223 6 0 "[ . ]" 1
265 1 23 TYR H 1 27 LEU QD 4.600 . 4.600 4.650 4.565 4.706 0.106 4 0 "[ . ]" 1
266 1 23 TYR HA 1 27 LEU QD 3.800 . 3.800 2.889 2.364 3.554 . 0 0 "[ . ]" 1
267 1 19 LEU HA 1 23 TYR H 4.200 . 4.200 4.176 3.876 4.275 0.075 6 0 "[ . ]" 1
268 1 20 HIS QB 1 24 MET H 4.600 . 4.600 4.467 3.793 4.783 0.183 5 0 "[ . ]" 1
269 1 28 TRP HD1 1 32 ALA MB 4.200 . 4.200 4.139 3.872 4.256 0.056 1 0 "[ . ]" 1
270 1 30 PHE HA 1 34 ALA MB 3.800 . 3.800 3.818 3.737 3.899 0.099 6 0 "[ . ]" 1
271 1 29 LEU HG 1 33 VAL H 4.600 . 4.600 4.668 4.485 4.900 0.300 2 0 "[ . ]" 1
272 1 29 LEU QB 1 33 VAL QG 4.200 . 4.200 3.509 1.737 4.203 0.063 2 0 "[ . ]" 1
273 1 29 LEU HG 1 33 VAL QG 4.600 . 4.600 3.090 2.699 3.391 . 0 0 "[ . ]" 1
274 1 29 LEU HA 1 33 VAL QG 4.200 . 4.200 3.569 2.810 4.090 . 0 0 "[ . ]" 1
275 1 30 PHE QB 1 34 ALA H 4.600 . 4.600 4.559 4.309 4.689 0.089 2 0 "[ . ]" 1
276 1 32 ALA HA 1 36 VAL H 4.600 . 4.600 4.560 4.437 4.810 0.210 4 0 "[ . ]" 1
277 1 34 ALA MB 1 37 ALA H 4.200 . 4.200 4.190 4.055 4.262 0.062 1 0 "[ . ]" 1
278 1 33 VAL QG 1 37 ALA H 4.200 . 4.200 3.481 3.300 3.807 . 0 0 "[ . ]" 1
279 1 34 ALA MB 1 38 HIS H 4.200 . 4.200 4.514 4.436 4.567 0.367 6 0 "[ . ]" 1
280 1 34 ALA MB 1 38 HIS HE1 4.200 . 4.200 3.194 2.446 4.194 . 0 0 "[ . ]" 1
281 1 36 VAL QG 1 38 HIS H 4.200 . 4.200 4.248 4.131 4.282 0.082 6 0 "[ . ]" 1
282 1 36 VAL HA 1 38 HIS H 4.600 . 4.600 3.723 3.459 3.815 . 0 0 "[ . ]" 1
283 1 35 ILE HA 1 39 LEU H 4.600 . 4.600 4.373 4.061 4.667 0.067 3 0 "[ . ]" 1
284 1 36 VAL HA 1 40 ALA H 4.600 . 4.600 2.825 2.411 4.625 0.025 3 0 "[ . ]" 1
285 1 36 VAL QG 1 40 ALA H 3.800 . 3.800 2.582 2.160 4.155 0.355 3 0 "[ . ]" 1
286 1 37 ALA MB 1 41 VAL QG 3.800 . 3.800 3.180 2.708 3.970 0.170 3 0 "[ . ]" 1
287 1 38 HIS HA 1 42 TYR QD 4.200 . 4.200 3.747 1.857 4.269 0.069 6 0 "[ . ]" 1
288 1 39 LEU HA 1 43 ILE H 4.200 . 4.200 4.258 4.230 4.317 0.117 6 0 "[ . ]" 1
289 1 40 ALA HA 1 44 TRP H 4.600 . 4.600 4.072 3.459 4.280 . 0 0 "[ . ]" 1
290 1 40 ALA HA 1 44 TRP HD1 3.800 . 3.800 2.942 2.291 3.955 0.155 6 0 "[ . ]" 1
291 1 40 ALA MB 1 44 TRP HD1 3.400 . 3.400 3.268 2.846 3.474 0.074 6 0 "[ . ]" 1
292 1 41 VAL QG 1 45 ARG QD 3.800 . 3.800 3.646 3.252 3.812 0.012 3 0 "[ . ]" 1
293 1 5 ASP H 1 5 ASP HA 3.100 . 3.100 2.727 2.365 2.967 . 0 0 "[ . ]" 1
294 1 6 LEU H 1 6 LEU HA 3.100 . 3.100 2.814 2.444 2.953 . 0 0 "[ . ]" 1
295 1 8 TYR H 1 8 TYR HA 2.500 . 2.500 2.833 2.780 2.909 0.409 6 0 "[ . ]" 1
296 1 9 THR H 1 9 THR HA 2.800 . 2.800 2.692 2.335 2.888 0.088 6 0 "[ . ]" 1
297 1 11 LEU H 1 11 LEU HA 2.500 . 2.500 2.759 2.691 2.817 0.317 6 0 "[ . ]" 1
298 1 12 THR H 1 12 THR HA 2.500 . 2.500 2.727 2.645 2.792 0.292 6 0 "[ . ]" 1
299 1 13 ASP H 1 13 ASP HA 2.500 . 2.500 2.725 2.661 2.852 0.352 6 0 "[ . ]" 1
300 1 14 GLU H 1 14 GLU HA 3.100 . 3.100 2.937 2.921 2.966 . 0 0 "[ . ]" 1
301 1 15 GLN H 1 15 GLN HA 3.100 . 3.100 2.885 2.855 2.942 . 0 0 "[ . ]" 1
302 1 17 GLN H 1 17 GLN HA 3.100 . 3.100 2.953 2.935 2.973 . 0 0 "[ . ]" 1
303 1 18 GLU H 1 18 GLU HA 3.100 . 3.100 2.811 2.781 2.849 . 0 0 "[ . ]" 1
304 1 20 HIS H 1 20 HIS HA 2.800 . 2.800 2.924 2.919 2.935 0.135 6 0 "[ . ]" 1
305 1 21 SER H 1 21 SER HA 2.500 . 2.500 2.693 2.674 2.715 0.215 3 0 "[ . ]" 1
306 1 22 VAL H 1 22 VAL HA 3.100 . 3.100 2.705 2.651 2.816 . 0 0 "[ . ]" 1
307 1 23 TYR H 1 23 TYR HA 2.800 . 2.800 2.835 2.779 2.895 0.095 6 0 "[ . ]" 1
308 1 25 SER H 1 25 SER HA 3.100 . 3.100 2.877 2.826 2.929 . 0 0 "[ . ]" 1
309 1 26 GLY H 1 26 GLY QA 2.800 . 2.800 2.255 2.239 2.285 . 0 0 "[ . ]" 1
310 1 27 LEU H 1 27 LEU HA 2.800 . 2.800 2.881 2.811 2.947 0.147 6 0 "[ . ]" 1
311 1 28 TRP H 1 28 TRP HA 2.800 . 2.800 2.863 2.797 2.899 0.099 3 0 "[ . ]" 1
312 1 29 LEU H 1 29 LEU HA 3.100 . 3.100 2.941 2.914 2.963 . 0 0 "[ . ]" 1
313 1 30 PHE H 1 30 PHE HA 2.500 . 2.500 2.803 2.722 2.869 0.369 5 0 "[ . ]" 1
314 1 31 SER H 1 31 SER HA 3.100 . 3.100 2.931 2.889 2.969 . 0 0 "[ . ]" 1
315 1 33 VAL H 1 33 VAL HA 2.800 . 2.800 2.807 2.737 2.881 0.081 3 0 "[ . ]" 1
316 1 34 ALA H 1 34 ALA HA 2.800 . 2.800 2.827 2.810 2.839 0.039 3 0 "[ . ]" 1
317 1 36 VAL H 1 36 VAL HA 2.800 . 2.800 2.911 2.893 2.943 0.143 4 0 "[ . ]" 1
318 1 37 ALA H 1 37 ALA HA 2.500 . 2.500 2.765 2.719 2.872 0.372 3 0 "[ . ]" 1
319 1 38 HIS H 1 38 HIS HA 2.800 . 2.800 2.932 2.917 2.964 0.164 3 0 "[ . ]" 1
320 1 39 LEU H 1 39 LEU HA 2.800 . 2.800 2.895 2.812 2.946 0.146 2 0 "[ . ]" 1
321 1 40 ALA H 1 40 ALA HA 3.100 . 3.100 2.717 2.698 2.747 . 0 0 "[ . ]" 1
322 1 41 VAL H 1 41 VAL HA 2.800 . 2.800 2.858 2.790 2.898 0.098 1 0 "[ . ]" 1
323 1 42 TYR H 1 42 TYR HA 2.800 . 2.800 2.870 2.781 2.927 0.127 1 0 "[ . ]" 1
324 1 43 ILE H 1 43 ILE HA 3.100 . 3.100 2.938 2.879 2.981 . 0 0 "[ . ]" 1
325 1 44 TRP H 1 44 TRP HA 3.100 . 3.100 2.959 2.908 2.991 . 0 0 "[ . ]" 1
326 1 47 TRP H 1 47 TRP HA 3.100 . 3.100 2.961 2.929 2.986 . 0 0 "[ . ]" 1
327 1 5 ASP H 1 5 ASP QB 3.400 . 3.400 2.507 2.073 3.212 . 0 0 "[ . ]" 1
328 1 6 LEU H 1 6 LEU QB 2.800 . 2.800 2.625 2.542 2.826 0.026 6 0 "[ . ]" 1
329 1 6 LEU H 1 6 LEU HG 3.800 . 3.800 2.477 1.807 3.849 0.049 1 0 "[ . ]" 1
330 1 6 LEU H 1 6 LEU QD 4.200 . 4.200 2.854 2.351 3.722 . 0 0 "[ . ]" 1
331 1 8 TYR H 1 8 TYR QB 2.800 . 2.800 2.162 2.091 2.412 . 0 0 "[ . ]" 1
332 1 9 THR H 1 9 THR HB 3.400 . 3.400 2.883 2.438 3.619 0.219 2 0 "[ . ]" 1
333 1 11 LEU H 1 11 LEU QB 2.800 . 2.800 2.054 1.997 2.156 . 0 0 "[ . ]" 1
334 1 11 LEU H 1 11 LEU QD 3.400 . 3.400 3.284 2.665 3.594 0.194 3 0 "[ . ]" 1
335 1 11 LEU H 1 11 LEU HG 3.400 . 3.400 3.572 3.383 3.729 0.329 3 0 "[ . ]" 1
336 1 12 THR H 1 12 THR HB 3.100 . 3.100 2.498 2.180 2.918 . 0 0 "[ . ]" 1
337 1 12 THR H 1 12 THR HG1 3.100 . 3.100 2.440 1.811 3.067 . 0 0 "[ . ]" 1
338 1 13 ASP H 1 13 ASP QB 2.500 . 2.500 2.261 2.186 2.328 . 0 0 "[ . ]" 1
339 1 14 GLU H 1 14 GLU QB 2.800 . 2.800 2.282 2.175 2.618 . 0 0 "[ . ]" 1
340 1 14 GLU H 1 14 GLU QG 4.200 . 4.200 3.583 2.434 4.027 . 0 0 "[ . ]" 1
341 1 15 GLN H 1 15 GLN QB 2.500 . 2.500 2.493 2.118 2.686 0.186 2 0 "[ . ]" 1
342 1 15 GLN H 1 15 GLN QG 3.800 . 3.800 2.423 1.829 3.798 . 0 0 "[ . ]" 1
343 1 16 ALA H 1 16 ALA MB 2.300 . 2.300 2.102 1.974 2.305 0.005 6 0 "[ . ]" 1
344 1 17 GLN H 1 17 GLN QB 2.500 . 2.500 2.285 2.148 2.376 . 0 0 "[ . ]" 1
345 1 17 GLN H 1 17 GLN QG 3.400 . 3.400 2.844 2.661 3.150 . 0 0 "[ . ]" 1
346 1 18 GLU H 1 18 GLU QB 2.500 . 2.500 2.173 2.090 2.358 . 0 0 "[ . ]" 1
347 1 18 GLU H 1 18 GLU QG 4.200 . 4.200 3.597 2.600 4.067 . 0 0 "[ . ]" 1
348 1 19 LEU H 1 19 LEU QB 2.800 . 2.800 2.580 2.016 2.718 . 0 0 "[ . ]" 1
349 1 19 LEU H 1 19 LEU HG 3.800 . 3.800 2.854 2.193 4.296 0.496 4 0 "[ . ]" 1
350 1 19 LEU H 1 19 LEU QD 3.100 . 3.100 2.695 1.779 3.166 0.066 4 0 "[ . ]" 1
351 1 20 HIS H 1 20 HIS HB3 3.100 . 3.100 3.351 3.259 3.500 0.400 3 0 "[ . ]" 1
352 1 20 HIS H 1 20 HIS HB2 3.100 . 3.100 2.178 2.137 2.256 . 0 0 "[ . ]" 1
353 1 21 SER H 1 21 SER QB 3.800 . 3.800 2.630 2.595 2.650 . 0 0 "[ . ]" 1
354 1 22 VAL H 1 22 VAL HB 3.100 . 3.100 2.839 2.606 3.472 0.372 4 0 "[ . ]" 1
355 1 22 VAL H 1 22 VAL QG 2.800 . 2.800 1.803 1.757 1.875 0.043 3 0 "[ . ]" 1
356 1 23 TYR H 1 23 TYR QB 2.800 . 2.800 2.075 1.979 2.140 . 0 0 "[ . ]" 1
357 1 24 MET H 1 24 MET QB 3.800 . 3.800 2.215 2.053 2.458 . 0 0 "[ . ]" 1
358 1 24 MET H 1 24 MET QG 3.400 . 3.400 3.007 2.221 3.448 0.048 3 0 "[ . ]" 1
359 1 25 SER H 1 25 SER QB 2.800 . 2.800 2.237 2.137 2.304 . 0 0 "[ . ]" 1
360 1 27 LEU H 1 27 LEU QB 2.500 . 2.500 2.079 2.006 2.155 . 0 0 "[ . ]" 1
361 1 27 LEU H 1 27 LEU QD 3.800 . 3.800 2.823 2.407 3.699 . 0 0 "[ . ]" 1
362 1 28 TRP H 1 28 TRP QB 2.800 . 2.800 2.209 2.160 2.236 . 0 0 "[ . ]" 1
363 1 29 LEU H 1 29 LEU HG 3.800 . 3.800 3.452 1.857 3.955 0.155 4 0 "[ . ]" 1
364 1 29 LEU H 1 29 LEU QD 3.400 . 3.400 3.277 1.830 3.682 0.282 4 0 "[ . ]" 1
365 1 30 PHE H 1 30 PHE QB 2.800 . 2.800 2.142 2.077 2.251 . 0 0 "[ . ]" 1
366 1 31 SER H 1 31 SER QB 3.800 . 3.800 2.270 2.109 2.454 . 0 0 "[ . ]" 1
367 1 33 VAL H 1 33 VAL HB 2.500 . 2.500 2.604 2.545 2.758 0.258 4 0 "[ . ]" 1
368 1 33 VAL H 1 33 VAL QG 2.300 . 2.300 2.072 1.831 2.267 . 0 0 "[ . ]" 1
369 1 34 ALA H 1 34 ALA MB 2.300 . 2.300 2.226 2.178 2.268 . 0 0 "[ . ]" 1
370 1 35 ILE H 1 35 ILE HB 3.100 . 3.100 2.878 1.980 3.092 . 0 0 "[ . ]" 1
371 1 35 ILE H 1 35 ILE MG 3.100 . 3.100 3.428 2.940 3.536 0.436 3 0 "[ . ]" 1
372 1 35 ILE H 1 35 ILE QG 3.100 . 3.100 2.060 1.737 3.587 0.487 4 0 "[ . ]" 1
373 1 35 ILE H 1 35 ILE QG 2.500 . 2.500 1.927 1.733 2.813 0.313 4 0 "[ . ]" 1
374 1 35 ILE H 1 35 ILE MD 3.800 . 3.800 3.222 1.903 3.537 . 0 0 "[ . ]" 1
375 1 36 VAL H 1 36 VAL HB 3.100 . 3.100 2.691 2.631 2.824 . 0 0 "[ . ]" 1
376 1 37 ALA H 1 37 ALA MB 2.300 . 2.300 2.181 2.132 2.285 . 0 0 "[ . ]" 1
377 1 38 HIS H 1 38 HIS QB 2.800 . 2.800 2.581 2.383 2.750 . 0 0 "[ . ]" 1
378 1 39 LEU H 1 39 LEU QB 3.400 . 3.400 2.637 2.569 2.719 . 0 0 "[ . ]" 1
379 1 39 LEU H 1 39 LEU HG 2.800 . 2.800 2.035 1.821 2.527 . 0 0 "[ . ]" 1
380 1 39 LEU H 1 39 LEU QD 3.400 . 3.400 2.726 1.807 3.066 . 0 0 "[ . ]" 1
381 1 40 ALA H 1 40 ALA MB 2.300 . 2.300 2.186 2.098 2.250 . 0 0 "[ . ]" 1
382 1 41 VAL H 1 41 VAL HB 2.800 . 2.800 2.516 2.362 2.811 0.011 3 0 "[ . ]" 1
383 1 41 VAL H 1 41 VAL QG 2.500 . 2.500 2.138 1.754 2.376 0.046 3 0 "[ . ]" 1
384 1 42 TYR H 1 42 TYR QB 2.500 . 2.500 2.360 2.134 2.510 0.010 1 0 "[ . ]" 1
385 1 43 ILE H 1 43 ILE HB 2.800 . 2.800 2.309 2.228 2.381 . 0 0 "[ . ]" 1
386 1 44 TRP H 1 44 TRP QB 2.500 . 2.500 2.338 2.177 2.519 0.019 6 0 "[ . ]" 1
387 1 45 ARG H 1 45 ARG QG 3.800 . 3.800 3.251 1.863 3.807 0.007 3 0 "[ . ]" 1
388 1 45 ARG H 1 45 ARG QB 3.100 . 3.100 2.225 2.028 2.814 . 0 0 "[ . ]" 1
389 1 45 ARG HA 1 45 ARG QD 4.200 . 4.200 2.753 1.818 4.213 0.013 6 0 "[ . ]" 1
390 1 45 ARG QB 1 45 ARG QD 3.400 . 3.400 2.166 1.933 2.357 . 0 0 "[ . ]" 1
391 1 45 ARG H 1 45 ARG QD 3.800 . 3.800 3.082 2.408 3.909 0.109 6 0 "[ . ]" 1
392 1 45 ARG QB 1 45 ARG HE 4.600 . 4.600 3.936 3.502 4.218 . 0 0 "[ . ]" 1
393 1 47 TRP H 1 47 TRP QB 3.800 . 3.800 2.813 2.538 3.087 . 0 0 "[ . ]" 1
394 1 6 LEU HA 1 6 LEU QD 2.300 . 2.300 2.306 2.155 2.347 0.047 5 0 "[ . ]" 1
395 1 6 LEU HA 1 6 LEU HG 2.500 . 2.500 2.547 1.905 2.710 0.210 6 0 "[ . ]" 1
396 1 27 LEU HA 1 27 LEU QD 3.400 . 3.400 2.256 1.809 2.709 . 0 0 "[ . ]" 1
397 1 35 ILE HA 1 35 ILE QG 2.500 . 2.500 1.961 1.870 2.055 . 0 0 "[ . ]" 1
398 1 8 TYR QB 1 8 TYR QD 2.300 . 2.300 2.125 2.078 2.146 . 0 0 "[ . ]" 1
399 1 8 TYR HA 1 8 TYR QD 2.800 . 2.800 2.878 2.820 3.042 0.242 2 0 "[ . ]" 1
400 1 8 TYR H 1 8 TYR QD 3.800 . 3.800 3.596 1.845 4.031 0.231 3 0 "[ . ]" 1
401 1 20 HIS HA 1 20 HIS HD2 3.400 . 3.400 3.220 1.922 3.688 0.288 4 0 "[ . ]" 1
402 1 20 HIS H 1 20 HIS HD2 3.800 . 3.800 3.749 3.035 3.927 0.127 5 0 "[ . ]" 1
403 1 23 TYR QB 1 23 TYR QD 2.300 . 2.300 2.203 2.115 2.294 . 0 0 "[ . ]" 1
404 1 23 TYR HA 1 23 TYR QD 3.400 . 3.400 2.453 2.182 2.723 . 0 0 "[ . ]" 1
405 1 23 TYR QB 1 23 TYR QE 4.200 . 4.200 3.971 3.926 3.990 . 0 0 "[ . ]" 1
406 1 28 TRP QB 1 28 TRP HD1 2.800 . 2.800 2.890 2.779 3.080 0.280 5 0 "[ . ]" 1
407 1 28 TRP H 1 28 TRP HD1 4.200 . 4.200 4.403 4.306 4.486 0.286 5 0 "[ . ]" 1
408 1 28 TRP HA 1 28 TRP HD1 3.400 . 3.400 2.755 1.895 3.617 0.217 6 0 "[ . ]" 1
409 1 30 PHE HA 1 30 PHE QD 3.800 . 3.800 2.324 1.860 2.987 . 0 0 "[ . ]" 1
410 1 38 HIS QB 1 38 HIS HD2 3.400 . 3.400 3.251 3.098 3.321 . 0 0 "[ . ]" 1
411 1 38 HIS HA 1 38 HIS HD2 3.400 . 3.400 2.587 2.369 2.863 . 0 0 "[ . ]" 1
412 1 38 HIS H 1 38 HIS HD2 3.800 . 3.800 3.036 2.542 3.603 . 0 0 "[ . ]" 1
413 1 42 TYR HB3 1 42 TYR QD 3.400 . 3.400 2.488 2.267 2.771 . 0 0 "[ . ]" 1
414 1 42 TYR HB2 1 42 TYR QD 3.400 . 3.400 2.451 2.336 2.617 . 0 0 "[ . ]" 1
415 1 42 TYR H 1 42 TYR QD 4.200 . 4.200 2.679 1.857 3.427 . 0 0 "[ . ]" 1
416 1 42 TYR HA 1 42 TYR QD 3.100 . 3.100 2.656 1.885 3.275 0.175 6 0 "[ . ]" 1
417 1 44 TRP QB 1 44 TRP HD1 3.100 . 3.100 2.811 2.674 3.142 0.042 6 0 "[ . ]" 1
418 1 44 TRP H 1 44 TRP HD1 3.800 . 3.800 2.799 2.027 3.580 . 0 0 "[ . ]" 1
419 1 44 TRP HA 1 44 TRP HD1 3.400 . 3.400 3.425 3.326 3.591 0.191 6 0 "[ . ]" 1
420 1 47 TRP H 1 47 TRP HD1 3.800 . 3.800 3.467 2.887 3.860 0.060 6 0 "[ . ]" 1
421 1 4 SER O 1 8 TYR H 2.500 . 2.700 2.665 2.091 3.053 0.353 6 0 "[ . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 71
_Distance_constraint_stats_list.Viol_total 27.299
_Distance_constraint_stats_list.Viol_max 0.313
_Distance_constraint_stats_list.Viol_rms 0.0449
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0217
_Distance_constraint_stats_list.Viol_average_violations_only 0.0641
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 4 SER 0.313 0.313 6 0 "[ . ]"
1 8 TYR 0.515 0.313 6 0 "[ . ]"
1 9 THR 0.510 0.187 3 0 "[ . ]"
1 10 GLY 0.374 0.106 1 0 "[ . ]"
1 11 LEU 0.707 0.151 6 0 "[ . ]"
1 12 THR 0.202 0.120 1 0 "[ . ]"
1 13 ASP 1.244 0.187 3 0 "[ . ]"
1 14 GLU 0.462 0.106 1 0 "[ . ]"
1 15 GLN 0.707 0.151 6 0 "[ . ]"
1 16 ALA 0.000 0.000 . 0 "[ . ]"
1 17 GLN 0.924 0.187 3 0 "[ . ]"
1 18 GLU 0.088 0.049 6 0 "[ . ]"
1 20 HIS 0.000 0.000 . 0 "[ . ]"
1 21 SER 0.190 0.074 6 0 "[ . ]"
1 22 VAL 0.131 0.061 3 0 "[ . ]"
1 23 TYR 0.091 0.045 2 0 "[ . ]"
1 24 MET 0.077 0.052 5 0 "[ . ]"
1 25 SER 0.220 0.118 2 0 "[ . ]"
1 26 GLY 0.220 0.061 3 0 "[ . ]"
1 27 LEU 0.236 0.100 2 0 "[ . ]"
1 28 TRP 0.077 0.052 5 0 "[ . ]"
1 29 LEU 0.427 0.184 2 0 "[ . ]"
1 30 PHE 0.090 0.037 2 0 "[ . ]"
1 31 SER 0.145 0.100 2 0 "[ . ]"
1 32 ALA 0.000 0.000 . 0 "[ . ]"
1 33 VAL 0.679 0.184 2 0 "[ . ]"
1 36 VAL 0.000 0.000 . 0 "[ . ]"
1 37 ALA 0.471 0.103 6 0 "[ . ]"
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 4 SER O 1 8 TYR N 3.500 2.700 3.700 3.483 3.017 4.013 0.313 6 0 "[ . ]" 2
2 1 8 TYR O 1 12 THR H 2.500 . 2.700 2.119 1.880 2.755 0.120 1 0 "[ . ]" 2
3 1 8 TYR O 1 12 THR N 3.500 2.700 3.700 2.956 2.685 3.669 0.015 1 0 "[ . ]" 2
4 1 9 THR O 1 13 ASP H 2.500 . 2.700 2.766 2.643 2.887 0.187 3 0 "[ . ]" 2
5 1 9 THR O 1 13 ASP N 3.500 2.700 3.700 3.630 3.417 3.725 0.025 3 0 "[ . ]" 2
6 1 10 GLY O 1 14 GLU H 2.500 . 2.700 2.748 2.613 2.806 0.106 1 0 "[ . ]" 2
7 1 10 GLY O 1 14 GLU N 3.500 2.700 3.700 3.589 3.412 3.671 . 0 0 "[ . ]" 2
8 1 11 LEU O 1 15 GLN H 2.500 . 2.700 1.895 1.849 1.942 0.151 6 0 "[ . ]" 2
9 1 11 LEU O 1 15 GLN N 3.500 2.700 3.700 2.817 2.624 2.897 0.076 6 0 "[ . ]" 2
10 1 13 ASP O 1 17 GLN H 2.500 . 2.700 2.822 2.745 2.887 0.187 3 0 "[ . ]" 2
11 1 13 ASP O 1 17 GLN N 3.500 2.700 3.700 3.475 3.297 3.640 . 0 0 "[ . ]" 2
12 1 14 GLU O 1 18 GLU H 2.500 . 2.700 2.015 1.993 2.045 0.007 5 0 "[ . ]" 2
13 1 14 GLU O 1 18 GLU N 3.500 2.700 3.700 2.740 2.651 2.813 0.049 6 0 "[ . ]" 2
14 1 16 ALA O 1 20 HIS H 2.500 . 2.700 2.375 2.078 2.617 . 0 0 "[ . ]" 2
15 1 16 ALA O 1 20 HIS N 3.500 2.700 3.700 3.075 2.727 3.219 . 0 0 "[ . ]" 2
16 1 17 GLN O 1 21 SER H 2.500 . 2.700 2.659 2.323 2.774 0.074 6 0 "[ . ]" 2
17 1 17 GLN O 1 21 SER N 3.500 2.700 3.700 2.920 2.660 3.035 0.040 4 0 "[ . ]" 2
18 1 22 VAL O 1 26 GLY H 2.500 . 2.700 2.546 2.097 2.761 0.061 3 0 "[ . ]" 2
19 1 22 VAL O 1 26 GLY N 3.500 2.700 3.700 3.305 2.673 3.739 0.039 3 0 "[ . ]" 2
20 1 23 TYR O 1 27 LEU H 2.500 . 2.700 2.217 2.060 2.718 0.018 5 0 "[ . ]" 2
21 1 23 TYR O 1 27 LEU N 3.500 2.700 3.700 2.926 2.655 3.346 0.045 2 0 "[ . ]" 2
22 1 24 MET O 1 28 TRP H 2.500 . 2.700 2.449 2.080 2.752 0.052 5 0 "[ . ]" 2
23 1 24 MET O 1 28 TRP N 3.500 2.700 3.700 3.302 2.676 3.637 0.024 3 0 "[ . ]" 2
24 1 25 SER O 1 29 LEU H 2.500 . 2.700 2.727 2.684 2.818 0.118 2 0 "[ . ]" 2
25 1 25 SER O 1 29 LEU N 3.500 2.700 3.700 3.437 3.223 3.732 0.032 2 0 "[ . ]" 2
26 1 26 GLY O 1 30 PHE H 2.500 . 2.700 2.316 2.041 2.734 0.034 3 0 "[ . ]" 2
27 1 26 GLY O 1 30 PHE N 3.500 2.700 3.700 3.136 2.663 3.675 0.037 2 0 "[ . ]" 2
28 1 27 LEU O 1 31 SER H 2.500 . 2.700 2.613 2.120 2.800 0.100 2 0 "[ . ]" 2
29 1 27 LEU O 1 31 SER N 3.500 2.700 3.700 3.298 2.860 3.594 . 0 0 "[ . ]" 2
30 1 29 LEU O 1 33 VAL H 2.500 . 2.700 2.056 1.980 2.195 0.020 2 0 "[ . ]" 2
31 1 29 LEU O 1 33 VAL N 3.500 2.700 3.700 2.890 2.516 3.167 0.184 2 0 "[ . ]" 2
32 1 32 ALA O 1 36 VAL H 2.500 . 2.700 2.252 2.085 2.499 . 0 0 "[ . ]" 2
33 1 32 ALA O 1 36 VAL N 3.500 2.700 3.700 3.065 2.920 3.361 . 0 0 "[ . ]" 2
34 1 33 VAL O 1 37 ALA H 2.500 . 2.700 1.924 1.897 1.979 0.103 6 0 "[ . ]" 2
35 1 33 VAL O 1 37 ALA N 3.500 2.700 3.700 2.789 2.685 2.832 0.015 3 0 "[ . ]" 2
stop_
save_
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