NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486605 |
2kpa   |
16550 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kpa
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 314
_Distance_constraint_stats_list.Viol_count 232
_Distance_constraint_stats_list.Viol_total 159.609
_Distance_constraint_stats_list.Viol_max 0.566
_Distance_constraint_stats_list.Viol_rms 0.0231
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0573
_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 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 2 SER 0.000 0.000 . 0 "[ . 1 ]"
1 3 VAL 1.408 0.246 6 0 "[ . 1 ]"
1 4 ASP 2.400 0.116 6 0 "[ . 1 ]"
1 5 PRO 1.229 0.116 6 0 "[ . 1 ]"
1 6 PHE 0.156 0.020 12 0 "[ . 1 ]"
1 7 TYR 2.373 0.109 9 0 "[ . 1 ]"
1 8 GLU 1.533 0.162 4 0 "[ . 1 ]"
1 9 MET 1.399 0.162 4 0 "[ . 1 ]"
1 10 LEU 0.435 0.030 12 0 "[ . 1 ]"
1 11 ALA 1.946 0.109 9 0 "[ . 1 ]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 13 ARG 2.927 0.302 11 0 "[ . 1 ]"
1 14 LYS 1.969 0.189 5 0 "[ . 1 ]"
1 15 LYS 0.202 0.065 5 0 "[ . 1 ]"
1 16 ARG 0.563 0.193 10 0 "[ . 1 ]"
1 17 ILE 0.178 0.043 8 0 "[ . 1 ]"
1 18 SER 0.024 0.013 11 0 "[ . 1 ]"
1 19 VAL 0.698 0.332 9 0 "[ . 1 ]"
1 20 LYS 1.961 0.566 12 1 "[ . 1 +]"
1 21 LYS 0.075 0.033 9 0 "[ . 1 ]"
1 22 LYS 0.005 0.005 8 0 "[ . 1 ]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 24 GLU 0.656 0.317 10 0 "[ . 1 ]"
1 25 GLN 0.675 0.317 10 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HB 1 2 SER H . . 4.080 3.399 2.706 4.011 . 0 0 "[ . 1 ]" 1
2 1 1 VAL QG 1 2 SER H . . 4.100 2.816 2.156 3.440 . 0 0 "[ . 1 ]" 1
3 1 1 VAL MG1 1 2 SER H . . 5.190 3.411 2.170 4.009 . 0 0 "[ . 1 ]" 1
4 1 1 VAL MG2 1 2 SER H . . 5.190 3.453 2.314 3.919 . 0 0 "[ . 1 ]" 1
5 1 2 SER H 1 2 SER QB . . 2.660 2.319 2.225 2.525 . 0 0 "[ . 1 ]" 1
6 1 2 SER H 1 3 VAL H . . 4.450 2.390 2.389 2.391 . 0 0 "[ . 1 ]" 1
7 1 2 SER H 1 3 VAL QG . . 5.500 3.476 3.247 3.639 . 0 0 "[ . 1 ]" 1
8 1 2 SER HA 1 4 ASP H . . 4.430 3.880 3.872 3.912 . 0 0 "[ . 1 ]" 1
9 1 2 SER HA 1 6 PHE H . . 5.500 5.308 5.297 5.347 . 0 0 "[ . 1 ]" 1
10 1 2 SER QB 1 3 VAL H . . 4.220 3.185 3.029 3.667 . 0 0 "[ . 1 ]" 1
11 1 3 VAL H 1 3 VAL HB . . 3.380 2.927 2.548 3.626 0.246 6 0 "[ . 1 ]" 1
12 1 3 VAL H 1 3 VAL QG . . 2.980 2.130 1.849 2.322 . 0 0 "[ . 1 ]" 1
13 1 3 VAL H 1 4 ASP H . . 3.300 2.369 2.365 2.371 . 0 0 "[ . 1 ]" 1
14 1 3 VAL H 1 4 ASP HA . . 5.330 4.936 4.934 4.938 . 0 0 "[ . 1 ]" 1
15 1 3 VAL H 1 4 ASP HB2 . . 5.500 4.660 4.131 5.044 . 0 0 "[ . 1 ]" 1
16 1 3 VAL H 1 4 ASP HB3 . . 5.500 4.808 4.308 5.522 0.022 6 0 "[ . 1 ]" 1
17 1 3 VAL H 1 5 PRO HD2 . . 4.610 3.324 3.315 3.328 . 0 0 "[ . 1 ]" 1
18 1 3 VAL H 1 6 PHE HB2 . . 5.140 4.930 4.908 4.976 . 0 0 "[ . 1 ]" 1
19 1 3 VAL HA 1 5 PRO HD2 . . 3.860 3.620 3.608 3.627 . 0 0 "[ . 1 ]" 1
20 1 3 VAL HA 1 6 PHE H . . 5.250 3.412 3.404 3.422 . 0 0 "[ . 1 ]" 1
21 1 3 VAL HA 1 6 PHE HB3 . . 4.660 3.603 3.577 3.657 . 0 0 "[ . 1 ]" 1
22 1 3 VAL HA 1 6 PHE QD . . 5.400 3.682 3.635 3.774 . 0 0 "[ . 1 ]" 1
23 1 3 VAL HB 1 4 ASP H . . 3.930 3.407 3.122 3.974 0.044 8 0 "[ . 1 ]" 1
24 1 3 VAL HB 1 7 TYR QD . . 5.500 4.869 4.562 5.066 . 0 0 "[ . 1 ]" 1
25 1 3 VAL QG 1 4 ASP H . . 3.520 3.141 2.416 3.508 . 0 0 "[ . 1 ]" 1
26 1 3 VAL QG 1 6 PHE H . . 5.020 4.126 3.914 4.433 . 0 0 "[ . 1 ]" 1
27 1 3 VAL QG 1 6 PHE QD . . 4.720 4.436 4.296 4.686 . 0 0 "[ . 1 ]" 1
28 1 3 VAL QG 1 7 TYR H . . 4.830 4.319 3.982 4.872 0.042 6 0 "[ . 1 ]" 1
29 1 3 VAL QG 1 7 TYR QD . . 3.960 3.694 3.432 3.984 0.024 6 0 "[ . 1 ]" 1
30 1 3 VAL QG 1 7 TYR QE . . 4.220 3.207 3.113 3.309 . 0 0 "[ . 1 ]" 1
31 1 4 ASP H 1 4 ASP HB2 . . 3.410 2.566 2.068 2.924 . 0 0 "[ . 1 ]" 1
32 1 4 ASP H 1 4 ASP QB . . 2.960 2.104 2.046 2.147 . 0 0 "[ . 1 ]" 1
33 1 4 ASP H 1 4 ASP HB3 . . 3.410 2.631 2.203 3.250 . 0 0 "[ . 1 ]" 1
34 1 4 ASP H 1 5 PRO HB3 . . 5.500 5.596 5.588 5.616 0.116 6 0 "[ . 1 ]" 1
35 1 4 ASP H 1 5 PRO HD2 . . 3.960 1.951 1.943 1.973 . 0 0 "[ . 1 ]" 1
36 1 4 ASP H 1 5 PRO HD3 . . 4.180 2.935 2.926 2.952 . 0 0 "[ . 1 ]" 1
37 1 4 ASP H 1 5 PRO HG2 . . 5.390 4.208 4.201 4.231 . 0 0 "[ . 1 ]" 1
38 1 4 ASP H 1 5 PRO HG3 . . 4.750 4.523 4.514 4.544 . 0 0 "[ . 1 ]" 1
39 1 4 ASP H 1 6 PHE H . . 5.310 3.790 3.786 3.807 . 0 0 "[ . 1 ]" 1
40 1 4 ASP H 1 7 TYR H . . 5.020 4.881 4.850 4.915 . 0 0 "[ . 1 ]" 1
41 1 4 ASP H 1 7 TYR QD . . 5.120 4.612 4.580 4.650 . 0 0 "[ . 1 ]" 1
42 1 4 ASP HA 1 6 PHE H . . 4.220 3.787 3.774 3.794 . 0 0 "[ . 1 ]" 1
43 1 4 ASP HA 1 7 TYR H . . 4.460 3.553 3.530 3.580 . 0 0 "[ . 1 ]" 1
44 1 4 ASP HA 1 7 TYR QD . . 4.650 1.946 1.929 1.957 . 0 0 "[ . 1 ]" 1
45 1 4 ASP HA 1 7 TYR QE . . 5.260 3.226 3.099 3.335 . 0 0 "[ . 1 ]" 1
46 1 4 ASP HA 1 8 GLU H . . 5.500 5.545 5.498 5.599 0.099 4 0 "[ . 1 ]" 1
47 1 4 ASP QB 1 6 PHE H . . 5.220 4.325 4.212 4.404 . 0 0 "[ . 1 ]" 1
48 1 4 ASP QB 1 7 TYR H . . 5.340 4.915 4.785 5.005 . 0 0 "[ . 1 ]" 1
49 1 4 ASP QB 1 7 TYR QD . . 4.380 3.751 3.540 4.004 . 0 0 "[ . 1 ]" 1
50 1 4 ASP QB 1 7 TYR QE . . 4.760 4.307 4.040 4.679 . 0 0 "[ . 1 ]" 1
51 1 4 ASP HB2 1 7 TYR QD . . 4.990 4.068 3.650 4.605 . 0 0 "[ . 1 ]" 1
52 1 4 ASP HB2 1 7 TYR QE . . 5.500 4.519 4.153 5.036 . 0 0 "[ . 1 ]" 1
53 1 4 ASP HB3 1 7 TYR QD . . 4.990 4.622 4.378 4.801 . 0 0 "[ . 1 ]" 1
54 1 4 ASP HB3 1 7 TYR QE . . 5.500 5.541 5.520 5.569 0.069 6 0 "[ . 1 ]" 1
55 1 5 PRO HB2 1 6 PHE QE . . 5.500 4.941 4.764 5.034 . 0 0 "[ . 1 ]" 1
56 1 5 PRO HB2 1 7 TYR H . . 5.500 5.355 5.348 5.363 . 0 0 "[ . 1 ]" 1
57 1 5 PRO HB3 1 6 PHE H . . 4.480 4.428 4.425 4.435 . 0 0 "[ . 1 ]" 1
58 1 5 PRO HD2 1 6 PHE H . . 3.810 2.871 2.866 2.882 . 0 0 "[ . 1 ]" 1
59 1 5 PRO HD2 1 7 TYR H . . 4.820 4.567 4.544 4.593 . 0 0 "[ . 1 ]" 1
60 1 5 PRO HD2 1 7 TYR QD . . 5.500 5.489 5.480 5.501 0.001 9 0 "[ . 1 ]" 1
61 1 5 PRO HD3 1 6 PHE H . . 4.200 3.961 3.958 3.967 . 0 0 "[ . 1 ]" 1
62 1 5 PRO HD3 1 7 TYR H . . 5.500 5.368 5.351 5.383 . 0 0 "[ . 1 ]" 1
63 1 5 PRO HG2 1 6 PHE H . . 4.030 3.101 3.091 3.121 . 0 0 "[ . 1 ]" 1
64 1 5 PRO HG2 1 6 PHE HA . . 4.890 4.615 4.586 4.660 . 0 0 "[ . 1 ]" 1
65 1 5 PRO HG2 1 6 PHE QE . . 4.720 4.225 4.135 4.265 . 0 0 "[ . 1 ]" 1
66 1 5 PRO HG2 1 7 TYR H . . 5.290 5.128 5.115 5.140 . 0 0 "[ . 1 ]" 1
67 1 5 PRO HG3 1 6 PHE H . . 4.510 4.430 4.423 4.445 . 0 0 "[ . 1 ]" 1
68 1 5 PRO HG3 1 6 PHE QD . . 5.370 4.305 4.234 4.361 . 0 0 "[ . 1 ]" 1
69 1 5 PRO HG3 1 6 PHE QE . . 5.500 5.459 5.344 5.520 0.020 12 0 "[ . 1 ]" 1
70 1 6 PHE H 1 6 PHE HB2 . . 3.320 2.310 2.283 2.351 . 0 0 "[ . 1 ]" 1
71 1 6 PHE H 1 6 PHE HB3 . . 3.610 3.466 3.444 3.501 . 0 0 "[ . 1 ]" 1
72 1 6 PHE H 1 7 TYR H . . 3.410 2.085 2.060 2.109 . 0 0 "[ . 1 ]" 1
73 1 6 PHE H 1 7 TYR HA . . 4.650 4.551 4.485 4.591 . 0 0 "[ . 1 ]" 1
74 1 6 PHE H 1 8 GLU H . . 4.790 4.563 4.472 4.609 . 0 0 "[ . 1 ]" 1
75 1 6 PHE H 1 9 MET H . . 5.260 5.028 4.997 5.046 . 0 0 "[ . 1 ]" 1
76 1 6 PHE H 1 10 LEU MD1 . . 5.220 4.606 4.425 4.672 . 0 0 "[ . 1 ]" 1
77 1 6 PHE HA 1 6 PHE QD . . 4.200 2.899 2.771 2.931 . 0 0 "[ . 1 ]" 1
78 1 6 PHE HA 1 6 PHE QE . . 5.260 4.427 4.392 4.435 . 0 0 "[ . 1 ]" 1
79 1 6 PHE HA 1 9 MET H . . 3.760 3.232 3.147 3.273 . 0 0 "[ . 1 ]" 1
80 1 6 PHE HA 1 9 MET HB2 . . 4.010 2.948 2.849 3.002 . 0 0 "[ . 1 ]" 1
81 1 6 PHE HA 1 9 MET HG2 . . 4.900 2.058 2.017 2.090 . 0 0 "[ . 1 ]" 1
82 1 6 PHE HA 1 9 MET HG3 . . 4.720 2.342 2.311 2.403 . 0 0 "[ . 1 ]" 1
83 1 6 PHE HA 1 10 LEU MD1 . . 5.200 4.185 4.090 4.234 . 0 0 "[ . 1 ]" 1
84 1 6 PHE HB2 1 7 TYR H . . 3.780 3.571 3.545 3.628 . 0 0 "[ . 1 ]" 1
85 1 6 PHE HB2 1 10 LEU H . . 5.500 5.397 5.323 5.473 . 0 0 "[ . 1 ]" 1
86 1 6 PHE HB3 1 9 MET H . . 5.240 4.670 4.584 4.717 . 0 0 "[ . 1 ]" 1
87 1 6 PHE HB3 1 10 LEU H . . 4.340 3.885 3.795 3.992 . 0 0 "[ . 1 ]" 1
88 1 6 PHE QD 1 9 MET HB3 . . 4.750 3.671 3.307 3.823 . 0 0 "[ . 1 ]" 1
89 1 6 PHE QD 1 10 LEU MD1 . . 3.880 3.254 3.109 3.469 . 0 0 "[ . 1 ]" 1
90 1 6 PHE QD 1 10 LEU HG . . 4.530 2.875 2.754 3.032 . 0 0 "[ . 1 ]" 1
91 1 6 PHE QE 1 9 MET HB2 . . 4.740 4.343 4.161 4.429 . 0 0 "[ . 1 ]" 1
92 1 6 PHE QE 1 9 MET HB3 . . 4.600 4.501 4.192 4.613 0.013 12 0 "[ . 1 ]" 1
93 1 6 PHE QE 1 9 MET HG2 . . 5.360 5.339 5.198 5.369 0.009 2 0 "[ . 1 ]" 1
94 1 6 PHE QE 1 9 MET HG3 . . 4.120 4.009 3.746 4.124 0.004 12 0 "[ . 1 ]" 1
95 1 6 PHE QE 1 10 LEU HG . . 5.500 4.974 4.843 5.118 . 0 0 "[ . 1 ]" 1
96 1 6 PHE HZ 1 9 MET HG3 . . 5.440 5.296 5.172 5.349 . 0 0 "[ . 1 ]" 1
97 1 7 TYR H 1 7 TYR HB2 . . 3.020 2.135 2.108 2.161 . 0 0 "[ . 1 ]" 1
98 1 7 TYR H 1 7 TYR QD . . 3.800 3.564 3.515 3.629 . 0 0 "[ . 1 ]" 1
99 1 7 TYR H 1 8 GLU H . . 3.380 2.834 2.783 2.863 . 0 0 "[ . 1 ]" 1
100 1 7 TYR H 1 8 GLU HA . . 5.500 5.397 5.367 5.415 . 0 0 "[ . 1 ]" 1
101 1 7 TYR H 1 8 GLU QB . . 5.090 4.997 4.939 5.088 . 0 0 "[ . 1 ]" 1
102 1 7 TYR H 1 8 GLU QG . . 4.400 4.103 3.953 4.343 . 0 0 "[ . 1 ]" 1
103 1 7 TYR H 1 9 MET H . . 4.400 3.816 3.803 3.830 . 0 0 "[ . 1 ]" 1
104 1 7 TYR H 1 9 MET HB2 . . 5.230 5.204 5.169 5.230 0.000 10 0 "[ . 1 ]" 1
105 1 7 TYR H 1 10 LEU H . . 4.920 4.848 4.752 4.896 . 0 0 "[ . 1 ]" 1
106 1 7 TYR H 1 10 LEU QB . . 5.500 5.513 5.469 5.530 0.030 12 0 "[ . 1 ]" 1
107 1 7 TYR H 1 10 LEU MD1 . . 4.560 4.225 4.040 4.275 . 0 0 "[ . 1 ]" 1
108 1 7 TYR H 1 10 LEU HG . . 5.480 5.483 5.444 5.491 0.011 3 0 "[ . 1 ]" 1
109 1 7 TYR H 1 11 ALA MB . . 5.500 5.565 5.546 5.609 0.109 9 0 "[ . 1 ]" 1
110 1 7 TYR HA 1 7 TYR QD . . 3.250 1.989 1.979 1.996 . 0 0 "[ . 1 ]" 1
111 1 7 TYR HA 1 7 TYR QE . . 4.310 4.104 4.091 4.115 . 0 0 "[ . 1 ]" 1
112 1 7 TYR HA 1 10 LEU QB . . 3.470 3.405 3.371 3.433 . 0 0 "[ . 1 ]" 1
113 1 7 TYR HA 1 10 LEU MD1 . . 3.410 2.907 2.707 2.986 . 0 0 "[ . 1 ]" 1
114 1 7 TYR HA 1 11 ALA H . . 3.890 3.489 3.423 3.598 . 0 0 "[ . 1 ]" 1
115 1 7 TYR HA 1 11 ALA MB . . 4.420 3.559 3.506 3.627 . 0 0 "[ . 1 ]" 1
116 1 7 TYR HB2 1 8 GLU H . . 3.860 2.710 2.640 2.810 . 0 0 "[ . 1 ]" 1
117 1 7 TYR HB2 1 9 MET H . . 5.500 4.764 4.723 4.828 . 0 0 "[ . 1 ]" 1
118 1 7 TYR HB3 1 8 GLU H . . 3.640 2.878 2.776 2.991 . 0 0 "[ . 1 ]" 1
119 1 7 TYR HB3 1 9 MET H . . 5.500 4.798 4.733 4.874 . 0 0 "[ . 1 ]" 1
120 1 7 TYR HB3 1 11 ALA H . . 5.170 4.835 4.800 4.888 . 0 0 "[ . 1 ]" 1
121 1 7 TYR QD 1 8 GLU H . . 4.560 4.476 4.450 4.531 . 0 0 "[ . 1 ]" 1
122 1 7 TYR QD 1 9 MET H . . 5.500 5.496 5.443 5.553 0.053 4 0 "[ . 1 ]" 1
123 1 7 TYR QD 1 10 LEU H . . 5.390 5.203 5.080 5.298 . 0 0 "[ . 1 ]" 1
124 1 7 TYR QD 1 10 LEU MD1 . . 3.620 3.629 3.595 3.640 0.020 12 0 "[ . 1 ]" 1
125 1 7 TYR QD 1 11 ALA H . . 5.300 4.186 4.086 4.309 . 0 0 "[ . 1 ]" 1
126 1 7 TYR QD 1 11 ALA MB . . 4.000 3.248 3.214 3.317 . 0 0 "[ . 1 ]" 1
127 1 7 TYR QE 1 10 LEU MD1 . . 4.740 4.486 4.461 4.542 . 0 0 "[ . 1 ]" 1
128 1 7 TYR QE 1 11 ALA MB . . 4.820 4.844 4.831 4.864 0.044 4 0 "[ . 1 ]" 1
129 1 8 GLU H 1 8 GLU QB . . 3.050 2.506 2.371 2.689 . 0 0 "[ . 1 ]" 1
130 1 8 GLU H 1 8 GLU QG . . 3.270 2.207 1.901 2.518 . 0 0 "[ . 1 ]" 1
131 1 8 GLU H 1 9 MET H . . 3.450 2.629 2.568 2.662 . 0 0 "[ . 1 ]" 1
132 1 8 GLU H 1 9 MET HG2 . . 5.250 3.696 3.622 3.746 . 0 0 "[ . 1 ]" 1
133 1 8 GLU H 1 11 ALA MB . . 4.620 4.437 4.393 4.506 . 0 0 "[ . 1 ]" 1
134 1 8 GLU HA 1 11 ALA H . . 4.250 3.986 3.764 4.104 . 0 0 "[ . 1 ]" 1
135 1 8 GLU HA 1 11 ALA MB . . 3.280 2.889 2.787 2.959 . 0 0 "[ . 1 ]" 1
136 1 8 GLU HA 1 12 ALA H . . 3.840 2.765 2.413 3.099 . 0 0 "[ . 1 ]" 1
137 1 8 GLU QB 1 9 MET H . . 3.960 3.451 3.038 3.658 . 0 0 "[ . 1 ]" 1
138 1 8 GLU QB 1 11 ALA H . . 5.500 5.411 5.208 5.515 0.015 7 0 "[ . 1 ]" 1
139 1 8 GLU QB 1 12 ALA H . . 4.730 4.227 4.016 4.443 . 0 0 "[ . 1 ]" 1
140 1 8 GLU QG 1 9 MET H . . 3.660 2.835 2.244 3.822 0.162 4 0 "[ . 1 ]" 1
141 1 8 GLU QG 1 11 ALA H . . 5.500 5.518 5.478 5.580 0.080 4 0 "[ . 1 ]" 1
142 1 8 GLU QG 1 12 ALA H . . 5.300 5.045 4.754 5.183 . 0 0 "[ . 1 ]" 1
143 1 9 MET H 1 9 MET HB2 . . 3.310 2.723 2.703 2.736 . 0 0 "[ . 1 ]" 1
144 1 9 MET H 1 9 MET HG2 . . 3.620 1.953 1.942 1.973 . 0 0 "[ . 1 ]" 1
145 1 9 MET H 1 9 MET HG3 . . 4.170 3.515 3.499 3.540 . 0 0 "[ . 1 ]" 1
146 1 9 MET H 1 10 LEU MD1 . . 5.090 4.633 4.461 4.684 . 0 0 "[ . 1 ]" 1
147 1 9 MET H 1 11 ALA MB . . 5.190 4.521 4.430 4.637 . 0 0 "[ . 1 ]" 1
148 1 9 MET HB3 1 10 LEU H . . 4.500 3.538 3.442 3.706 . 0 0 "[ . 1 ]" 1
149 1 9 MET HG2 1 10 LEU H . . 4.460 3.685 3.635 3.764 . 0 0 "[ . 1 ]" 1
150 1 9 MET HG2 1 11 ALA H . . 5.500 5.544 5.529 5.568 0.068 9 0 "[ . 1 ]" 1
151 1 10 LEU H 1 10 LEU QB . . 3.230 2.573 2.541 2.595 . 0 0 "[ . 1 ]" 1
152 1 10 LEU H 1 10 LEU MD1 . . 3.360 3.088 2.993 3.115 . 0 0 "[ . 1 ]" 1
153 1 10 LEU H 1 10 LEU HG . . 3.210 2.025 1.949 2.171 . 0 0 "[ . 1 ]" 1
154 1 10 LEU H 1 11 ALA H . . 3.580 2.644 2.501 2.721 . 0 0 "[ . 1 ]" 1
155 1 10 LEU H 1 11 ALA MB . . 4.550 4.333 4.206 4.423 . 0 0 "[ . 1 ]" 1
156 1 10 LEU QB 1 11 ALA H . . 3.460 2.495 2.445 2.578 . 0 0 "[ . 1 ]" 1
157 1 10 LEU MD1 1 11 ALA H . . 3.990 3.911 3.869 3.993 0.003 10 0 "[ . 1 ]" 1
158 1 10 LEU HG 1 11 ALA H . . 4.300 4.153 4.123 4.212 . 0 0 "[ . 1 ]" 1
159 1 11 ALA H 1 11 ALA HA . . 2.940 2.844 2.807 2.881 . 0 0 "[ . 1 ]" 1
160 1 11 ALA H 1 11 ALA MB . . 2.730 2.209 2.164 2.272 . 0 0 "[ . 1 ]" 1
161 1 11 ALA MB 1 12 ALA H . . 3.090 1.932 1.907 1.986 . 0 0 "[ . 1 ]" 1
162 1 11 ALA MB 1 12 ALA HA . . 3.870 3.752 3.701 3.801 . 0 0 "[ . 1 ]" 1
163 1 12 ALA H 1 12 ALA MB . . 2.670 2.084 2.043 2.151 . 0 0 "[ . 1 ]" 1
164 1 12 ALA HA 1 13 ARG QB . . 5.340 4.407 4.084 4.641 . 0 0 "[ . 1 ]" 1
165 1 12 ALA HA 1 14 LYS H . . 4.790 3.487 3.248 3.641 . 0 0 "[ . 1 ]" 1
166 1 12 ALA MB 1 14 LYS H . . 4.540 2.573 2.213 2.896 . 0 0 "[ . 1 ]" 1
167 1 13 ARG H 1 13 ARG HA . . 2.940 2.880 2.866 2.885 . 0 0 "[ . 1 ]" 1
168 1 13 ARG H 1 13 ARG HB2 . . 3.700 2.706 2.125 3.522 . 0 0 "[ . 1 ]" 1
169 1 13 ARG H 1 13 ARG QB . . 2.910 2.439 2.104 2.664 . 0 0 "[ . 1 ]" 1
170 1 13 ARG H 1 13 ARG HB3 . . 3.700 3.342 2.225 3.619 . 0 0 "[ . 1 ]" 1
171 1 13 ARG H 1 13 ARG QD . . 4.190 3.013 1.893 4.261 0.071 9 0 "[ . 1 ]" 1
172 1 13 ARG H 1 13 ARG QG . . 3.930 2.598 1.910 3.824 . 0 0 "[ . 1 ]" 1
173 1 13 ARG H 1 13 ARG HH11 . . 4.860 4.037 1.895 4.922 0.062 7 0 "[ . 1 ]" 1
174 1 13 ARG H 1 14 LYS H . . 3.650 2.538 2.478 2.557 . 0 0 "[ . 1 ]" 1
175 1 13 ARG H 1 14 LYS QE . . 5.500 4.433 2.553 5.495 . 0 0 "[ . 1 ]" 1
176 1 13 ARG HA 1 13 ARG HH11 . . 4.120 3.439 2.002 4.252 0.132 11 0 "[ . 1 ]" 1
177 1 13 ARG HA 1 14 LYS H . . 3.120 3.259 3.229 3.309 0.189 5 0 "[ . 1 ]" 1
178 1 13 ARG HA 1 15 LYS H . . 3.750 3.271 3.192 3.439 . 0 0 "[ . 1 ]" 1
179 1 13 ARG QB 1 14 LYS H . . 3.870 3.480 3.330 3.742 . 0 0 "[ . 1 ]" 1
180 1 13 ARG HB2 1 13 ARG HH11 . . 4.060 3.592 2.797 4.362 0.302 11 0 "[ . 1 ]" 1
181 1 13 ARG HB2 1 14 LYS H . . 4.720 3.761 3.453 4.484 . 0 0 "[ . 1 ]" 1
182 1 13 ARG HB3 1 13 ARG HH11 . . 4.060 2.669 1.916 4.361 0.301 11 0 "[ . 1 ]" 1
183 1 13 ARG HB3 1 14 LYS H . . 4.720 4.249 3.945 4.451 . 0 0 "[ . 1 ]" 1
184 1 13 ARG QD 1 13 ARG HH11 . . 2.890 2.055 1.882 2.261 . 0 0 "[ . 1 ]" 1
185 1 13 ARG QD 1 14 LYS H . . 5.140 4.412 2.399 5.236 0.096 7 0 "[ . 1 ]" 1
186 1 13 ARG QG 1 13 ARG HH11 . . 3.700 2.423 1.926 3.014 . 0 0 "[ . 1 ]" 1
187 1 14 LYS H 1 14 LYS QB . . 3.770 2.441 2.165 2.620 . 0 0 "[ . 1 ]" 1
188 1 14 LYS H 1 14 LYS QD . . 4.270 3.426 2.056 4.191 . 0 0 "[ . 1 ]" 1
189 1 14 LYS H 1 14 LYS QE . . 4.900 3.398 2.105 4.292 . 0 0 "[ . 1 ]" 1
190 1 14 LYS H 1 14 LYS QG . . 3.540 2.464 1.965 3.435 . 0 0 "[ . 1 ]" 1
191 1 14 LYS H 1 15 LYS H . . 3.410 2.598 2.486 2.656 . 0 0 "[ . 1 ]" 1
192 1 14 LYS HA 1 17 ILE HB . . 3.110 2.428 1.990 2.710 . 0 0 "[ . 1 ]" 1
193 1 14 LYS HA 1 17 ILE QG . . 4.450 2.656 2.108 3.122 . 0 0 "[ . 1 ]" 1
194 1 14 LYS HA 1 17 ILE MG . . 3.830 3.708 3.466 3.873 0.043 8 0 "[ . 1 ]" 1
195 1 14 LYS HA 1 18 SER H . . 4.180 4.001 3.571 4.193 0.013 11 0 "[ . 1 ]" 1
196 1 14 LYS QB 1 15 LYS H . . 3.970 3.313 3.051 3.725 . 0 0 "[ . 1 ]" 1
197 1 14 LYS QE 1 15 LYS H . . 5.500 4.855 2.876 5.499 . 0 0 "[ . 1 ]" 1
198 1 14 LYS QG 1 15 LYS H . . 5.010 3.916 2.439 4.709 . 0 0 "[ . 1 ]" 1
199 1 15 LYS H 1 15 LYS QB . . 2.870 2.197 2.065 2.246 . 0 0 "[ . 1 ]" 1
200 1 15 LYS H 1 15 LYS QD . . 5.340 4.402 4.210 4.727 . 0 0 "[ . 1 ]" 1
201 1 15 LYS H 1 15 LYS QE . . 5.500 4.852 3.579 5.459 . 0 0 "[ . 1 ]" 1
202 1 15 LYS H 1 15 LYS QG . . 4.290 3.898 3.473 4.011 . 0 0 "[ . 1 ]" 1
203 1 15 LYS H 1 16 ARG H . . 3.380 2.868 2.714 2.952 . 0 0 "[ . 1 ]" 1
204 1 15 LYS H 1 16 ARG QD . . 5.340 4.825 3.628 5.405 0.065 5 0 "[ . 1 ]" 1
205 1 15 LYS H 1 17 ILE MD . . 5.500 5.008 4.305 5.535 0.035 8 0 "[ . 1 ]" 1
206 1 15 LYS H 1 17 ILE QG . . 5.340 4.388 3.944 4.699 . 0 0 "[ . 1 ]" 1
207 1 15 LYS HA 1 15 LYS QG . . 3.480 2.358 2.107 2.555 . 0 0 "[ . 1 ]" 1
208 1 15 LYS HA 1 17 ILE H . . 5.090 3.991 3.867 4.428 . 0 0 "[ . 1 ]" 1
209 1 15 LYS QB 1 16 ARG H . . 2.920 2.182 2.079 2.337 . 0 0 "[ . 1 ]" 1
210 1 15 LYS QE 1 16 ARG H . . 5.500 4.132 2.704 5.230 . 0 0 "[ . 1 ]" 1
211 1 15 LYS QG 1 16 ARG H . . 4.510 3.760 3.082 4.282 . 0 0 "[ . 1 ]" 1
212 1 16 ARG H 1 16 ARG HB2 . . 4.190 3.577 3.569 3.616 . 0 0 "[ . 1 ]" 1
213 1 16 ARG H 1 16 ARG HB3 . . 3.170 2.488 2.365 2.731 . 0 0 "[ . 1 ]" 1
214 1 16 ARG H 1 16 ARG QD . . 3.870 3.199 1.932 3.945 0.075 11 0 "[ . 1 ]" 1
215 1 16 ARG H 1 16 ARG HG2 . . 4.530 2.354 1.900 2.588 . 0 0 "[ . 1 ]" 1
216 1 16 ARG H 1 16 ARG QG . . 3.740 2.327 1.876 2.555 . 0 0 "[ . 1 ]" 1
217 1 16 ARG H 1 16 ARG HG3 . . 4.530 3.680 2.858 3.951 . 0 0 "[ . 1 ]" 1
218 1 16 ARG H 1 17 ILE H . . 3.180 2.628 2.415 2.690 . 0 0 "[ . 1 ]" 1
219 1 16 ARG H 1 17 ILE MD . . 5.480 4.696 4.394 5.042 . 0 0 "[ . 1 ]" 1
220 1 16 ARG H 1 17 ILE QG . . 4.640 3.866 3.448 4.026 . 0 0 "[ . 1 ]" 1
221 1 16 ARG HA 1 16 ARG HB3 . . 2.890 2.481 2.355 2.536 . 0 0 "[ . 1 ]" 1
222 1 16 ARG HA 1 16 ARG HH11 . . 4.650 4.515 3.682 4.843 0.193 10 0 "[ . 1 ]" 1
223 1 16 ARG HA 1 17 ILE HA . . 5.180 4.710 4.700 4.767 . 0 0 "[ . 1 ]" 1
224 1 16 ARG HA 1 19 VAL HA . . 5.500 4.796 4.596 5.090 . 0 0 "[ . 1 ]" 1
225 1 16 ARG HA 1 19 VAL HB . . 3.240 2.503 2.224 2.636 . 0 0 "[ . 1 ]" 1
226 1 16 ARG HA 1 19 VAL MG1 . . 3.550 3.053 1.967 3.580 0.030 8 0 "[ . 1 ]" 1
227 1 16 ARG HA 1 19 VAL MG2 . . 3.800 3.626 3.299 3.747 . 0 0 "[ . 1 ]" 1
228 1 16 ARG HB2 1 16 ARG HH11 . . 4.000 2.709 2.052 4.066 0.066 5 0 "[ . 1 ]" 1
229 1 16 ARG HB2 1 17 ILE H . . 5.220 4.091 3.617 4.205 . 0 0 "[ . 1 ]" 1
230 1 16 ARG HB2 1 19 VAL H . . 5.500 5.327 5.100 5.441 . 0 0 "[ . 1 ]" 1
231 1 16 ARG HB3 1 16 ARG HH11 . . 3.530 2.921 2.215 3.527 . 0 0 "[ . 1 ]" 1
232 1 16 ARG QD 1 16 ARG HH11 . . 2.870 2.044 1.703 2.143 . 0 0 "[ . 1 ]" 1
233 1 16 ARG QD 1 17 ILE H . . 4.640 4.231 3.621 4.671 0.031 5 0 "[ . 1 ]" 1
234 1 16 ARG QG 1 16 ARG HH11 . . 3.700 2.441 1.905 3.497 . 0 0 "[ . 1 ]" 1
235 1 16 ARG QG 1 17 ILE H . . 3.410 2.386 1.910 2.594 . 0 0 "[ . 1 ]" 1
236 1 16 ARG QG 1 17 ILE HA . . 4.190 3.499 3.334 3.778 . 0 0 "[ . 1 ]" 1
237 1 17 ILE H 1 17 ILE HB . . 2.970 2.566 2.490 2.694 . 0 0 "[ . 1 ]" 1
238 1 17 ILE H 1 17 ILE MD . . 3.610 3.308 2.791 3.603 . 0 0 "[ . 1 ]" 1
239 1 17 ILE H 1 17 ILE QG . . 3.550 2.165 1.933 2.292 . 0 0 "[ . 1 ]" 1
240 1 17 ILE H 1 17 ILE MG . . 3.820 3.779 3.762 3.789 . 0 0 "[ . 1 ]" 1
241 1 17 ILE H 1 18 SER H . . 3.770 2.466 2.424 2.593 . 0 0 "[ . 1 ]" 1
242 1 17 ILE H 1 19 VAL HB . . 4.870 4.643 4.288 4.727 . 0 0 "[ . 1 ]" 1
243 1 17 ILE H 1 19 VAL MG1 . . 5.160 4.505 4.136 4.858 . 0 0 "[ . 1 ]" 1
244 1 17 ILE HB 1 18 SER H . . 2.990 2.573 2.288 2.653 . 0 0 "[ . 1 ]" 1
245 1 17 ILE HB 1 18 SER HA . . 5.410 4.267 4.174 4.340 . 0 0 "[ . 1 ]" 1
246 1 17 ILE MG 1 18 SER H . . 4.130 3.537 3.377 3.720 . 0 0 "[ . 1 ]" 1
247 1 18 SER H 1 18 SER QB . . 3.130 2.369 2.178 2.698 . 0 0 "[ . 1 ]" 1
248 1 19 VAL H 1 19 VAL HB . . 3.110 2.358 2.317 2.386 . 0 0 "[ . 1 ]" 1
249 1 19 VAL H 1 19 VAL MG2 . . 4.760 3.719 3.698 3.731 . 0 0 "[ . 1 ]" 1
250 1 19 VAL HA 1 20 LYS QG . . 4.190 3.787 3.520 4.522 0.332 9 0 "[ . 1 ]" 1
251 1 19 VAL HA 1 21 LYS H . . 3.830 3.789 3.675 3.863 0.033 9 0 "[ . 1 ]" 1
252 1 19 VAL HB 1 20 LYS H . . 4.250 4.110 3.997 4.166 . 0 0 "[ . 1 ]" 1
253 1 19 VAL MG1 1 20 LYS H . . 4.660 3.491 3.280 3.629 . 0 0 "[ . 1 ]" 1
254 1 19 VAL MG1 1 20 LYS HA . . 4.320 4.127 4.007 4.302 . 0 0 "[ . 1 ]" 1
255 1 19 VAL MG1 1 21 LYS H . . 3.540 2.186 1.923 2.512 . 0 0 "[ . 1 ]" 1
256 1 19 VAL MG1 1 21 LYS HA . . 5.020 3.969 3.802 4.269 . 0 0 "[ . 1 ]" 1
257 1 19 VAL MG1 1 22 LYS H . . 3.060 1.909 1.852 2.171 . 0 0 "[ . 1 ]" 1
258 1 19 VAL MG1 1 22 LYS HA . . 4.340 3.990 3.827 4.327 . 0 0 "[ . 1 ]" 1
259 1 19 VAL MG1 1 23 GLN H . . 5.490 3.841 3.188 4.226 . 0 0 "[ . 1 ]" 1
260 1 19 VAL MG2 1 20 LYS H . . 3.930 2.031 1.905 2.191 . 0 0 "[ . 1 ]" 1
261 1 19 VAL MG2 1 21 LYS H . . 3.410 1.985 1.908 2.150 . 0 0 "[ . 1 ]" 1
262 1 19 VAL MG2 1 22 LYS H . . 4.520 3.558 3.322 3.828 . 0 0 "[ . 1 ]" 1
263 1 19 VAL MG2 1 23 GLN H . . 5.430 5.127 4.696 5.361 . 0 0 "[ . 1 ]" 1
264 1 20 LYS H 1 20 LYS QB . . 2.710 2.501 2.340 2.829 0.119 12 0 "[ . 1 ]" 1
265 1 20 LYS H 1 20 LYS QD . . 4.650 3.084 1.905 3.773 . 0 0 "[ . 1 ]" 1
266 1 20 LYS H 1 20 LYS QE . . 4.760 4.203 2.331 4.738 . 0 0 "[ . 1 ]" 1
267 1 20 LYS H 1 20 LYS QG . . 3.620 2.310 1.954 3.238 . 0 0 "[ . 1 ]" 1
268 1 20 LYS H 1 21 LYS H . . 3.310 2.491 2.411 2.612 . 0 0 "[ . 1 ]" 1
269 1 20 LYS H 1 23 GLN H . . 5.500 5.207 5.030 5.375 . 0 0 "[ . 1 ]" 1
270 1 20 LYS H 1 23 GLN QG . . 5.340 4.448 4.087 4.783 . 0 0 "[ . 1 ]" 1
271 1 20 LYS HA 1 20 LYS QD . . 2.920 2.446 1.994 3.486 0.566 12 1 "[ . 1 +]" 1
272 1 20 LYS HA 1 21 LYS H . . 3.440 3.378 3.231 3.425 . 0 0 "[ . 1 ]" 1
273 1 20 LYS HA 1 23 GLN H . . 4.420 3.307 3.123 3.425 . 0 0 "[ . 1 ]" 1
274 1 20 LYS HA 1 23 GLN QE . . 5.060 3.934 3.021 4.726 . 0 0 "[ . 1 ]" 1
275 1 20 LYS HA 1 23 GLN QG . . 4.890 2.101 1.972 2.306 . 0 0 "[ . 1 ]" 1
276 1 20 LYS QB 1 23 GLN H . . 5.340 4.435 4.278 4.796 . 0 0 "[ . 1 ]" 1
277 1 21 LYS H 1 21 LYS QB . . 2.950 2.255 2.037 2.559 . 0 0 "[ . 1 ]" 1
278 1 21 LYS H 1 21 LYS QE . . 5.500 4.404 3.708 4.989 . 0 0 "[ . 1 ]" 1
279 1 21 LYS H 1 21 LYS QG . . 4.020 3.340 1.950 3.971 . 0 0 "[ . 1 ]" 1
280 1 21 LYS H 1 22 LYS H . . 4.350 2.731 2.630 2.913 . 0 0 "[ . 1 ]" 1
281 1 21 LYS H 1 23 GLN QG . . 5.340 4.336 4.045 4.569 . 0 0 "[ . 1 ]" 1
282 1 21 LYS HA 1 23 GLN QG . . 5.340 5.015 4.019 5.294 . 0 0 "[ . 1 ]" 1
283 1 21 LYS QB 1 22 LYS H . . 3.370 2.500 2.188 2.599 . 0 0 "[ . 1 ]" 1
284 1 21 LYS QD 1 22 LYS H . . 4.820 4.655 4.451 4.825 0.005 8 0 "[ . 1 ]" 1
285 1 21 LYS QE 1 22 LYS H . . 5.500 4.576 3.436 5.500 . 0 0 "[ . 1 ]" 1
286 1 22 LYS H 1 22 LYS HA . . 2.940 2.825 2.800 2.884 . 0 0 "[ . 1 ]" 1
287 1 22 LYS H 1 22 LYS QB . . 3.170 2.344 2.242 2.641 . 0 0 "[ . 1 ]" 1
288 1 22 LYS H 1 22 LYS QD . . 5.070 3.949 3.259 4.395 . 0 0 "[ . 1 ]" 1
289 1 22 LYS H 1 22 LYS QE . . 5.500 4.928 4.039 5.493 . 0 0 "[ . 1 ]" 1
290 1 22 LYS H 1 23 GLN H . . 2.860 2.596 2.472 2.703 . 0 0 "[ . 1 ]" 1
291 1 22 LYS H 1 23 GLN QG . . 4.870 3.796 3.549 4.538 . 0 0 "[ . 1 ]" 1
292 1 22 LYS HA 1 23 GLN QG . . 5.340 4.979 4.754 5.218 . 0 0 "[ . 1 ]" 1
293 1 22 LYS QB 1 23 GLN H . . 4.030 3.327 2.593 3.882 . 0 0 "[ . 1 ]" 1
294 1 22 LYS QD 1 23 GLN H . . 5.500 4.491 3.540 5.155 . 0 0 "[ . 1 ]" 1
295 1 22 LYS QE 1 23 GLN H . . 5.500 5.144 4.181 5.450 . 0 0 "[ . 1 ]" 1
296 1 22 LYS QG 1 23 GLN H . . 4.410 3.276 2.276 4.300 . 0 0 "[ . 1 ]" 1
297 1 22 LYS QG 1 23 GLN HA . . 4.820 3.698 3.221 4.402 . 0 0 "[ . 1 ]" 1
298 1 23 GLN H 1 23 GLN QB . . 2.950 2.534 2.328 2.633 . 0 0 "[ . 1 ]" 1
299 1 23 GLN H 1 23 GLN HG2 . . 3.760 2.169 1.943 3.467 . 0 0 "[ . 1 ]" 1
300 1 23 GLN H 1 23 GLN QG . . 3.210 2.071 1.934 2.441 . 0 0 "[ . 1 ]" 1
301 1 23 GLN H 1 23 GLN HG3 . . 3.760 3.404 2.495 3.507 . 0 0 "[ . 1 ]" 1
302 1 23 GLN H 1 24 GLU HA . . 5.500 5.148 4.997 5.377 . 0 0 "[ . 1 ]" 1
303 1 23 GLN H 1 24 GLU QB . . 5.340 4.682 4.402 5.277 . 0 0 "[ . 1 ]" 1
304 1 23 GLN HA 1 23 GLN HE21 . . 5.500 3.962 1.949 4.847 . 0 0 "[ . 1 ]" 1
305 1 23 GLN HA 1 23 GLN QE . . 4.800 3.577 1.933 4.259 . 0 0 "[ . 1 ]" 1
306 1 23 GLN HA 1 23 GLN HE22 . . 5.500 4.246 3.203 5.153 . 0 0 "[ . 1 ]" 1
307 1 23 GLN QG 1 24 GLU H . . 5.140 3.854 1.941 4.817 . 0 0 "[ . 1 ]" 1
308 1 24 GLU H 1 24 GLU QB . . 3.190 2.378 2.103 2.611 . 0 0 "[ . 1 ]" 1
309 1 24 GLU H 1 24 GLU HG2 . . 4.150 2.778 2.068 3.833 . 0 0 "[ . 1 ]" 1
310 1 24 GLU H 1 24 GLU QG . . 3.410 2.470 2.037 3.299 . 0 0 "[ . 1 ]" 1
311 1 24 GLU H 1 24 GLU HG3 . . 4.150 3.411 2.591 4.022 . 0 0 "[ . 1 ]" 1
312 1 24 GLU HA 1 25 GLN H . . 3.210 2.818 2.156 3.527 0.317 10 0 "[ . 1 ]" 1
313 1 25 GLN H 1 25 GLN QB . . 3.050 2.225 2.078 2.634 . 0 0 "[ . 1 ]" 1
314 1 25 GLN H 1 25 GLN QG . . 3.690 3.004 2.065 3.709 0.019 1 0 "[ . 1 ]" 1
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