NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
370041 |
1bm4   |
4221 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bm4
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 134
_Distance_constraint_stats_list.Viol_count 243
_Distance_constraint_stats_list.Viol_total 265.291
_Distance_constraint_stats_list.Viol_max 0.906
_Distance_constraint_stats_list.Viol_rms 0.0745
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.1213
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 0.000 0.000 . 0 "[ . ]"
1 2 ALA 0.000 0.000 . 0 "[ . ]"
1 3 LYS 0.892 0.170 7 0 "[ . ]"
1 4 VAL 0.501 0.166 7 0 "[ . ]"
1 5 LYS 0.423 0.166 7 0 "[ . ]"
1 6 GLY 0.000 0.000 . 0 "[ . ]"
1 7 ILE 0.257 0.048 9 0 "[ . ]"
1 8 THR 0.000 0.000 . 0 "[ . ]"
1 9 GLN 4.890 0.862 8 3 "[ -. +*]"
1 10 GLY 1.098 0.265 9 0 "[ . ]"
1 11 PRO 3.446 0.862 8 3 "[ -. +*]"
1 12 ASN 1.217 0.252 9 0 "[ . ]"
1 13 GLU 2.743 0.906 7 1 "[ . + ]"
1 14 SER 0.867 0.413 5 0 "[ . ]"
1 15 PRO 0.063 0.063 7 0 "[ . ]"
1 16 SER 1.729 0.280 9 0 "[ . ]"
1 17 ALA 0.213 0.087 8 0 "[ . ]"
1 18 PHE 0.628 0.083 1 0 "[ . ]"
1 19 LEU 0.801 0.095 3 0 "[ . ]"
1 20 GLU 3.466 0.213 6 0 "[ . ]"
1 21 ARG 3.069 0.526 7 2 "[ - + ]"
1 22 LEU 2.663 0.217 8 0 "[ . ]"
1 23 LYS 2.382 0.189 8 0 "[ . ]"
1 24 GLU 3.973 0.526 7 2 "[ - + ]"
1 25 ALA 2.306 0.237 5 0 "[ . ]"
1 26 TYR 1.545 0.188 2 0 "[ . ]"
1 27 ARG 0.118 0.076 9 0 "[ . ]"
1 28 ARG 1.943 0.274 3 0 "[ . ]"
1 29 TYR 0.198 0.074 7 0 "[ . ]"
1 30 THR 0.420 0.107 9 0 "[ . ]"
1 31 PRO 0.379 0.107 9 0 "[ . ]"
1 32 TYR 0.122 0.030 7 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 1 CYS HA 1 2 ALA H 5.000 . 5.000 2.665 2.162 3.644 . 0 0 "[ . ]" 1
2 1 3 LYS H 1 3 LYS HA 2.700 . 2.700 2.694 2.388 2.870 0.170 7 0 "[ . ]" 1
3 1 3 LYS HA 1 4 VAL H 3.500 . 3.500 2.619 2.099 3.559 0.059 9 0 "[ . ]" 1
4 1 3 LYS HA 1 4 VAL HA 5.000 . 5.000 4.596 4.452 4.737 . 0 0 "[ . ]" 1
5 1 4 VAL H 1 5 LYS H 3.500 . 3.500 3.464 2.893 3.666 0.166 7 0 "[ . ]" 1
6 1 4 VAL HA 1 5 LYS H 2.700 . 2.700 2.354 2.092 2.640 . 0 0 "[ . ]" 1
7 1 4 VAL HB 1 5 LYS H 5.000 . 5.000 4.437 3.877 4.662 . 0 0 "[ . ]" 1
8 1 5 LYS H 1 6 GLY QA 2.700 . 3.700 3.347 3.159 3.637 . 0 0 "[ . ]" 1
9 1 5 LYS HA 1 6 GLY H 2.700 . 2.700 2.351 2.220 2.641 . 0 0 "[ . ]" 1
10 1 6 GLY QA 1 7 ILE H 3.500 . 4.500 2.437 2.150 3.481 . 0 0 "[ . ]" 1
11 1 7 ILE H 1 7 ILE HB 2.700 . 2.700 2.697 2.655 2.748 0.048 7 0 "[ . ]" 1
12 1 7 ILE H 1 12 ASN H 5.000 . 5.000 4.681 2.987 5.048 0.048 9 0 "[ . ]" 1
13 1 7 ILE HA 1 8 THR H 2.700 . 2.700 2.176 2.073 2.293 . 0 0 "[ . ]" 1
14 1 8 THR MG 1 9 GLN H 5.000 . 6.000 3.869 3.211 4.413 . 0 0 "[ . ]" 1
15 1 9 GLN H 1 9 GLN HA 2.700 . 2.700 2.760 2.416 2.962 0.262 4 0 "[ . ]" 1
16 1 9 GLN H 1 9 GLN HG2 5.000 . 5.000 4.327 2.817 5.356 0.356 9 0 "[ . ]" 1
17 1 9 GLN H 1 10 GLY QA 2.700 . 3.700 3.164 2.683 3.471 . 0 0 "[ . ]" 1
18 1 9 GLN H 1 11 PRO HD3 5.000 . 5.000 4.775 2.957 5.862 0.862 8 3 "[ -. +*]" 1
19 1 9 GLN HA 1 10 GLY H 2.700 . 2.700 2.640 2.278 2.965 0.265 9 0 "[ . ]" 1
20 1 10 GLY H 1 11 PRO HD2 5.000 . 5.000 3.888 2.966 5.097 0.097 7 0 "[ . ]" 1
21 1 10 GLY H 1 11 PRO HD3 5.000 . 5.000 3.218 2.262 4.628 . 0 0 "[ . ]" 1
22 1 10 GLY QA 1 11 PRO HD2 3.500 . 4.500 2.557 2.162 3.018 . 0 0 "[ . ]" 1
23 1 10 GLY QA 1 11 PRO HD3 2.700 . 3.700 2.820 2.155 3.517 . 0 0 "[ . ]" 1
24 1 10 GLY QA 1 12 ASN H 5.000 . 6.000 4.245 3.270 5.407 . 0 0 "[ . ]" 1
25 1 11 PRO HA 1 12 ASN H 2.700 . 2.700 2.289 1.967 2.723 0.023 4 0 "[ . ]" 1
26 1 11 PRO QB 1 12 ASN H 5.000 . 6.000 3.817 3.091 4.079 . 0 0 "[ . ]" 1
27 1 11 PRO HD3 1 12 ASN H 5.000 . 5.000 5.050 4.749 5.252 0.252 9 0 "[ . ]" 1
28 1 12 ASN H 1 13 GLU H 3.500 . 3.500 3.173 2.732 3.566 0.066 8 0 "[ . ]" 1
29 1 12 ASN HA 1 13 GLU H 3.500 . 3.500 2.982 2.314 3.560 0.060 9 0 "[ . ]" 1
30 1 12 ASN QB 1 13 GLU H 5.000 . 6.000 3.499 2.514 4.053 . 0 0 "[ . ]" 1
31 1 13 GLU H 1 13 GLU HG2 3.500 . 3.500 2.972 2.207 4.406 0.906 7 1 "[ . + ]" 1
32 1 13 GLU HA 1 14 SER H 3.500 . 3.500 3.008 2.127 3.543 0.043 6 0 "[ . ]" 1
33 1 13 GLU HA 1 16 SER H 3.500 . 3.500 3.508 3.156 3.691 0.191 3 0 "[ . ]" 1
34 1 13 GLU HG2 1 14 SER H 5.000 . 5.000 4.486 3.272 5.413 0.413 5 0 "[ . ]" 1
35 1 14 SER HA 1 15 PRO QD 3.500 . 4.500 3.786 3.738 4.032 . 0 0 "[ . ]" 1
36 1 15 PRO QB 1 16 SER H 5.000 . 6.000 3.171 1.695 3.944 . 0 0 "[ . ]" 1
37 1 15 PRO HG2 1 16 SER H 3.500 . 3.500 2.619 1.954 3.563 0.063 7 0 "[ . ]" 1
38 1 16 SER H 1 16 SER HA 2.700 . 2.700 2.739 2.395 2.980 0.280 9 0 "[ . ]" 1
39 1 16 SER H 1 16 SER QB 2.700 . 3.700 2.782 2.158 3.289 . 0 0 "[ . ]" 1
40 1 16 SER HA 1 19 LEU H 3.500 . 3.500 3.516 3.441 3.595 0.095 3 0 "[ . ]" 1
41 1 16 SER HA 1 19 LEU HB2 3.500 . 3.500 2.558 2.122 3.194 . 0 0 "[ . ]" 1
42 1 17 ALA HA 1 20 GLU H 3.500 . 3.500 3.407 3.098 3.587 0.087 8 0 "[ . ]" 1
43 1 17 ALA HA 1 20 GLU HB2 3.500 . 3.500 2.599 2.108 3.541 0.041 3 0 "[ . ]" 1
44 1 17 ALA HA 1 20 GLU QG 5.000 . 6.000 3.808 3.502 4.051 . 0 0 "[ . ]" 1
45 1 17 ALA MB 1 20 GLU QG 5.000 . 7.000 4.942 4.644 5.164 . 0 0 "[ . ]" 1
46 1 18 PHE H 1 18 PHE QB 2.700 . 3.700 2.393 2.248 3.157 . 0 0 "[ . ]" 1
47 1 18 PHE H 1 18 PHE QD 5.000 . 7.000 4.309 4.227 4.441 . 0 0 "[ . ]" 1
48 1 18 PHE HA 1 18 PHE QD 3.500 . 5.500 2.825 2.587 3.138 . 0 0 "[ . ]" 1
49 1 18 PHE HA 1 19 LEU H 3.500 . 3.500 3.560 3.538 3.583 0.083 1 0 "[ . ]" 1
50 1 18 PHE HA 1 21 ARG H 3.500 . 3.500 3.377 3.090 3.538 0.038 1 0 "[ . ]" 1
51 1 18 PHE HA 1 21 ARG QB 3.500 . 4.500 2.484 2.220 2.743 . 0 0 "[ . ]" 1
52 1 18 PHE QB 1 18 PHE QD 2.700 . 5.700 2.204 2.191 2.212 . 0 0 "[ . ]" 1
53 1 18 PHE QB 1 19 LEU H 3.500 . 4.500 2.562 2.432 2.652 . 0 0 "[ . ]" 1
54 1 18 PHE QD 1 19 LEU H 5.000 . 7.000 3.653 3.427 3.888 . 0 0 "[ . ]" 1
55 1 18 PHE QD 1 19 LEU QD 3.500 . 7.900 3.556 2.497 4.718 . 0 0 "[ . ]" 1
56 1 18 PHE QD 1 22 LEU MD1 5.000 . 8.000 2.988 2.643 3.477 . 0 0 "[ . ]" 1
57 1 18 PHE QE 1 19 LEU QD 5.000 . 9.400 4.807 3.861 5.399 . 0 0 "[ . ]" 1
58 1 18 PHE QE 1 22 LEU MD1 3.500 . 6.500 2.584 2.445 2.884 . 0 0 "[ . ]" 1
59 1 19 LEU H 1 19 LEU QD 3.500 . 5.900 2.979 2.088 3.727 . 0 0 "[ . ]" 1
60 1 19 LEU H 1 20 GLU H 3.500 . 3.500 2.985 2.859 3.123 . 0 0 "[ . ]" 1
61 1 19 LEU HB3 1 20 GLU H 3.500 . 3.500 2.930 2.324 3.546 0.046 3 0 "[ . ]" 1
62 1 19 LEU QD 1 20 GLU H 5.000 . 7.400 3.981 3.618 4.276 . 0 0 "[ . ]" 1
63 1 20 GLU H 1 20 GLU HA 2.700 . 2.700 2.885 2.854 2.913 0.213 6 0 "[ . ]" 1
64 1 20 GLU H 1 21 ARG H 3.500 . 3.500 2.996 2.859 3.135 . 0 0 "[ . ]" 1
65 1 20 GLU HA 1 23 LYS H 2.700 . 2.700 2.851 2.801 2.889 0.189 8 0 "[ . ]" 1
66 1 20 GLU HA 1 23 LYS QE 5.000 . 6.000 4.067 2.288 5.347 . 0 0 "[ . ]" 1
67 1 20 GLU HB2 1 21 ARG H 3.500 . 3.500 2.930 2.731 3.590 0.090 8 0 "[ . ]" 1
68 1 20 GLU HB3 1 21 ARG H 3.500 . 3.500 3.372 2.491 3.532 0.032 4 0 "[ . ]" 1
69 1 20 GLU QG 1 21 ARG H 5.000 . 6.000 4.526 4.426 4.757 . 0 0 "[ . ]" 1
70 1 20 GLU QG 1 23 LYS QB 5.000 . 7.000 3.845 3.342 4.389 . 0 0 "[ . ]" 1
71 1 21 ARG H 1 21 ARG HA 2.700 . 2.700 2.871 2.849 2.912 0.212 3 0 "[ . ]" 1
72 1 21 ARG H 1 21 ARG QB 2.700 . 3.700 2.319 2.142 2.667 . 0 0 "[ . ]" 1
73 1 21 ARG H 1 21 ARG HG3 5.000 . 5.000 3.325 2.249 4.492 . 0 0 "[ . ]" 1
74 1 21 ARG H 1 22 LEU H 3.500 . 3.500 2.959 2.767 3.012 . 0 0 "[ . ]" 1
75 1 21 ARG H 1 22 LEU HG 5.000 . 5.000 4.999 4.773 5.043 0.043 8 0 "[ . ]" 1
76 1 21 ARG H 1 23 LYS H 5.000 . 5.000 4.195 4.018 4.339 . 0 0 "[ . ]" 1
77 1 21 ARG HA 1 24 GLU HG2 5.000 . 5.000 3.597 2.294 5.526 0.526 7 2 "[ - + ]" 1
78 1 21 ARG QB 1 22 LEU H 2.700 . 3.700 2.639 2.487 2.798 . 0 0 "[ . ]" 1
79 1 22 LEU H 1 22 LEU HA 2.700 . 2.700 2.907 2.898 2.917 0.217 8 0 "[ . ]" 1
80 1 22 LEU H 1 22 LEU QB 2.700 . 3.700 2.412 2.381 2.447 . 0 0 "[ . ]" 1
81 1 22 LEU H 1 22 LEU MD1 5.000 . 6.000 3.630 3.561 3.684 . 0 0 "[ . ]" 1
82 1 22 LEU H 1 22 LEU MD2 3.500 . 4.500 3.660 3.591 3.727 . 0 0 "[ . ]" 1
83 1 22 LEU H 1 23 LYS H 2.700 . 2.700 2.765 2.740 2.782 0.082 7 0 "[ . ]" 1
84 1 22 LEU HA 1 25 ALA MB 2.700 . 3.700 2.514 2.354 2.714 . 0 0 "[ . ]" 1
85 1 22 LEU QB 1 23 LYS H 2.700 . 3.700 2.753 2.665 2.818 . 0 0 "[ . ]" 1
86 1 22 LEU MD1 1 23 LYS H 5.000 . 6.000 4.714 4.627 4.800 . 0 0 "[ . ]" 1
87 1 22 LEU MD1 1 26 TYR QD 5.000 . 8.000 4.952 4.488 5.214 . 0 0 "[ . ]" 1
88 1 22 LEU MD1 1 26 TYR QE 5.000 . 8.000 3.747 3.268 4.659 . 0 0 "[ . ]" 1
89 1 23 LYS H 1 23 LYS QG 3.500 . 4.500 3.306 2.597 4.076 . 0 0 "[ . ]" 1
90 1 23 LYS H 1 24 GLU H 2.700 . 2.700 2.749 2.732 2.772 0.072 6 0 "[ . ]" 1
91 1 23 LYS HA 1 26 TYR QB 2.700 . 3.700 2.570 2.357 2.907 . 0 0 "[ . ]" 1
92 1 23 LYS QB 1 24 GLU H 2.700 . 3.700 2.684 2.540 2.857 . 0 0 "[ . ]" 1
93 1 24 GLU H 1 24 GLU HA 2.700 . 2.700 2.918 2.906 2.938 0.238 2 0 "[ . ]" 1
94 1 24 GLU H 1 24 GLU QB 2.700 . 3.700 2.444 2.125 2.664 . 0 0 "[ . ]" 1
95 1 24 GLU H 1 24 GLU HG2 5.000 . 5.000 2.874 2.225 4.130 . 0 0 "[ . ]" 1
96 1 24 GLU H 1 24 GLU HG3 5.000 . 5.000 3.457 2.147 4.465 . 0 0 "[ . ]" 1
97 1 24 GLU H 1 25 ALA H 2.700 . 2.700 2.758 2.732 2.782 0.082 4 0 "[ . ]" 1
98 1 24 GLU HA 1 27 ARG QB 2.700 . 3.700 2.767 2.522 3.328 . 0 0 "[ . ]" 1
99 1 25 ALA H 1 25 ALA HA 2.700 . 2.700 2.898 2.863 2.937 0.237 5 0 "[ . ]" 1
100 1 25 ALA H 1 25 ALA MB 2.700 . 3.700 2.232 2.201 2.253 . 0 0 "[ . ]" 1
101 1 25 ALA H 1 26 TYR H 5.000 . 5.000 3.009 2.817 3.183 . 0 0 "[ . ]" 1
102 1 25 ALA H 1 26 TYR QD 5.000 . 7.000 5.290 4.985 5.531 . 0 0 "[ . ]" 1
103 1 25 ALA HA 1 28 ARG QB 3.500 . 4.500 3.148 2.491 3.923 . 0 0 "[ . ]" 1
104 1 25 ALA HA 1 28 ARG QD 5.000 . 6.000 4.532 2.602 5.397 . 0 0 "[ . ]" 1
105 1 25 ALA MB 1 26 TYR H 3.500 . 4.500 2.404 2.312 2.524 . 0 0 "[ . ]" 1
106 1 26 TYR H 1 26 TYR HA 2.700 . 2.700 2.852 2.831 2.888 0.188 2 0 "[ . ]" 1
107 1 26 TYR H 1 27 ARG H 3.500 . 3.500 3.029 2.959 3.110 . 0 0 "[ . ]" 1
108 1 26 TYR HA 1 29 TYR H 3.500 . 3.500 3.420 3.009 3.574 0.074 7 0 "[ . ]" 1
109 1 26 TYR HA 1 29 TYR QB 5.000 . 5.000 3.736 2.606 4.840 . 0 0 "[ . ]" 1
110 1 26 TYR QB 1 27 ARG H 3.500 . 4.500 2.803 2.493 3.294 . 0 0 "[ . ]" 1
111 1 27 ARG HA 1 27 ARG HE 5.000 . 5.000 3.698 1.972 5.040 0.040 9 0 "[ . ]" 1
112 1 27 ARG HA 1 30 THR H 5.000 . 5.000 3.944 3.196 5.076 0.076 9 0 "[ . ]" 1
113 1 27 ARG HA 1 30 THR MG 5.000 . 6.000 4.474 4.034 4.962 . 0 0 "[ . ]" 1
114 1 28 ARG H 1 28 ARG HA 2.700 . 2.700 2.915 2.844 2.974 0.274 3 0 "[ . ]" 1
115 1 28 ARG H 1 29 TYR H 2.700 . 2.700 2.447 2.215 2.705 0.005 8 0 "[ . ]" 1
116 1 28 ARG H 1 29 TYR QE 3.500 . 5.500 5.054 4.185 5.350 . 0 0 "[ . ]" 1
117 1 28 ARG HA 1 29 TYR HA 5.000 . 5.000 4.819 4.691 4.962 . 0 0 "[ . ]" 1
118 1 28 ARG QB 1 29 TYR H 3.500 . 4.500 2.593 2.357 2.829 . 0 0 "[ . ]" 1
119 1 28 ARG QB 1 30 THR H 5.000 . 6.000 4.854 4.345 5.229 . 0 0 "[ . ]" 1
120 1 29 TYR H 1 30 THR H 3.500 . 3.500 2.855 2.378 3.519 0.019 9 0 "[ . ]" 1
121 1 29 TYR QB 1 30 THR H 5.000 . 5.000 3.441 2.436 4.099 . 0 0 "[ . ]" 1
122 1 29 TYR QD 1 30 THR H 3.500 . 5.500 4.047 2.356 4.954 . 0 0 "[ . ]" 1
123 1 30 THR H 1 30 THR HB 3.500 . 3.500 2.930 2.647 3.401 . 0 0 "[ . ]" 1
124 1 30 THR H 1 31 PRO HA 5.000 . 5.000 4.910 4.373 5.107 0.107 9 0 "[ . ]" 1
125 1 30 THR H 1 31 PRO QD 5.000 . 6.000 4.100 3.455 4.433 . 0 0 "[ . ]" 1
126 1 30 THR HA 1 31 PRO QD 2.700 . 3.700 2.097 2.065 2.150 . 0 0 "[ . ]" 1
127 1 30 THR HA 1 31 PRO HG2 5.000 . 5.000 4.621 4.498 4.709 . 0 0 "[ . ]" 1
128 1 30 THR HB 1 31 PRO QD 3.500 . 4.500 4.131 3.846 4.336 . 0 0 "[ . ]" 1
129 1 30 THR HB 1 32 TYR H 5.000 . 5.000 4.309 3.911 5.030 0.030 7 0 "[ . ]" 1
130 1 30 THR MG 1 31 PRO QD 5.000 . 7.000 2.988 2.331 4.394 . 0 0 "[ . ]" 1
131 1 31 PRO HA 1 32 TYR H 3.500 . 3.500 3.191 2.489 3.527 0.027 7 0 "[ . ]" 1
132 1 31 PRO QB 1 32 TYR H 5.000 . 6.000 3.379 2.604 4.067 . 0 0 "[ . ]" 1
133 1 31 PRO QD 1 32 TYR H 5.000 . 6.000 3.345 2.847 4.106 . 0 0 "[ . ]" 1
134 1 31 PRO QD 1 32 TYR QD 5.000 . 8.000 4.112 2.805 6.147 . 0 0 "[ . ]" 1
stop_
save_
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