NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439309 |
2k6i   |
15870 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k6i
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 452
_Distance_constraint_stats_list.Viol_count 102
_Distance_constraint_stats_list.Viol_total 28.712
_Distance_constraint_stats_list.Viol_max 0.238
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0281
_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 10 MET 0.000 0.000 . 0 "[ . 1]"
1 11 GLY 0.000 0.000 . 0 "[ . 1]"
1 12 VAL 0.047 0.027 7 0 "[ . 1]"
1 13 SER 0.078 0.028 2 0 "[ . 1]"
1 14 VAL 0.037 0.028 2 0 "[ . 1]"
1 15 MET 0.000 0.000 . 0 "[ . 1]"
1 16 GLU 0.011 0.008 2 0 "[ . 1]"
1 17 ALA 0.000 0.000 . 0 "[ . 1]"
1 18 ILE 0.238 0.238 10 0 "[ . 1]"
1 19 LYS 0.000 0.000 . 0 "[ . 1]"
1 20 GLU 0.000 0.000 . 0 "[ . 1]"
1 21 VAL 0.169 0.081 7 0 "[ . 1]"
1 22 LYS 0.475 0.081 7 0 "[ . 1]"
1 23 LEU 0.306 0.062 7 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 GLU 0.000 0.000 . 0 "[ . 1]"
1 26 GLU 0.382 0.088 1 0 "[ . 1]"
1 27 GLN 0.000 0.000 . 0 "[ . 1]"
1 28 ALA 0.125 0.047 6 0 "[ . 1]"
1 29 VAL 0.322 0.088 1 0 "[ . 1]"
1 30 LYS 0.024 0.024 3 0 "[ . 1]"
1 31 GLU 0.041 0.041 1 0 "[ . 1]"
1 32 ILE 0.000 0.000 . 0 "[ . 1]"
1 33 GLU 0.001 0.001 3 0 "[ . 1]"
1 34 GLU 0.000 0.000 8 0 "[ . 1]"
1 35 ALA 0.000 0.000 . 0 "[ . 1]"
1 36 LYS 0.001 0.001 1 0 "[ . 1]"
1 37 ASN 0.026 0.023 1 0 "[ . 1]"
1 38 ARG 0.075 0.048 1 0 "[ . 1]"
1 39 ALA 0.025 0.025 1 0 "[ . 1]"
1 40 GLU 0.049 0.048 1 0 "[ . 1]"
1 41 GLN 0.023 0.023 1 0 "[ . 1]"
1 42 ILE 0.052 0.047 5 0 "[ . 1]"
1 43 LYS 0.031 0.016 5 0 "[ . 1]"
1 44 ALA 0.051 0.047 5 0 "[ . 1]"
1 45 GLU 0.085 0.070 5 0 "[ . 1]"
1 46 ALA 0.162 0.070 5 0 "[ . 1]"
1 47 ILE 1.128 0.087 6 0 "[ . 1]"
1 48 GLU 0.035 0.009 6 0 "[ . 1]"
1 49 GLU 0.720 0.079 10 0 "[ . 1]"
1 50 ALA 0.433 0.087 6 0 "[ . 1]"
1 51 LYS 0.007 0.003 10 0 "[ . 1]"
1 52 LYS 0.003 0.003 2 0 "[ . 1]"
1 53 LEU 0.003 0.003 2 0 "[ . 1]"
1 54 ILE 0.146 0.104 9 0 "[ . 1]"
1 55 ALA 0.165 0.104 9 0 "[ . 1]"
1 56 CYS 0.028 0.028 7 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 10 MET H 1 10 MET QG . . 4.920 3.516 2.444 4.212 . 0 0 "[ . 1]" 1
2 1 10 MET H 1 11 GLY H . . 5.500 3.629 2.547 4.644 . 0 0 "[ . 1]" 1
3 1 10 MET QB 1 11 GLY H . . 5.080 2.739 2.000 4.039 . 0 0 "[ . 1]" 1
4 1 10 MET QB 1 11 GLY QA . . 5.050 3.858 3.556 4.298 . 0 0 "[ . 1]" 1
5 1 11 GLY H 1 12 VAL H . . 4.970 3.981 2.792 4.600 . 0 0 "[ . 1]" 1
6 1 11 GLY QA 1 12 VAL H . . 3.400 2.248 2.135 2.804 . 0 0 "[ . 1]" 1
7 1 11 GLY QA 1 12 VAL QG . . 5.160 3.281 3.064 3.632 . 0 0 "[ . 1]" 1
8 1 11 GLY QA 1 14 VAL QG . . 5.500 3.862 1.916 5.488 . 0 0 "[ . 1]" 1
9 1 12 VAL H 1 12 VAL HB . . 3.750 3.351 2.543 3.746 . 0 0 "[ . 1]" 1
10 1 12 VAL H 1 12 VAL QG . . 3.650 2.312 1.864 2.641 . 0 0 "[ . 1]" 1
11 1 12 VAL H 1 13 SER H . . 4.720 3.176 1.926 4.519 . 0 0 "[ . 1]" 1
12 1 12 VAL H 1 13 SER HA . . 5.430 4.947 4.578 5.347 . 0 0 "[ . 1]" 1
13 1 12 VAL H 1 14 VAL H . . 5.050 4.778 3.680 5.044 . 0 0 "[ . 1]" 1
14 1 12 VAL HA 1 13 SER H . . 3.540 2.846 2.202 3.560 0.020 4 0 "[ . 1]" 1
15 1 12 VAL HB 1 13 SER H . . 4.340 3.565 1.949 4.367 0.027 7 0 "[ . 1]" 1
16 1 12 VAL QG 1 13 SER H . . 4.400 2.881 1.978 3.703 . 0 0 "[ . 1]" 1
17 1 13 SER H 1 14 VAL H . . 5.020 3.470 2.622 4.160 . 0 0 "[ . 1]" 1
18 1 13 SER H 1 14 VAL HA . . 5.370 5.061 4.462 5.398 0.028 2 0 "[ . 1]" 1
19 1 13 SER H 1 14 VAL QG . . 5.010 3.569 3.010 4.227 . 0 0 "[ . 1]" 1
20 1 13 SER HA 1 14 VAL H . . 3.180 2.441 2.223 2.808 . 0 0 "[ . 1]" 1
21 1 13 SER QB 1 14 VAL H . . 4.040 3.895 3.713 4.012 . 0 0 "[ . 1]" 1
22 1 13 SER QB 1 15 MET H . . 4.910 3.947 3.429 4.691 . 0 0 "[ . 1]" 1
23 1 13 SER QB 1 16 GLU H . . 5.500 5.306 4.565 5.503 0.003 2 0 "[ . 1]" 1
24 1 14 VAL H 1 14 VAL HB . . 3.900 3.702 3.672 3.739 . 0 0 "[ . 1]" 1
25 1 14 VAL H 1 14 VAL QG . . 3.360 1.998 1.887 2.109 . 0 0 "[ . 1]" 1
26 1 14 VAL H 1 15 MET H . . 3.690 2.696 2.379 2.936 . 0 0 "[ . 1]" 1
27 1 14 VAL HA 1 15 MET H . . 3.290 2.926 2.758 2.996 . 0 0 "[ . 1]" 1
28 1 14 VAL HA 1 16 GLU H . . 4.370 3.307 3.161 3.499 . 0 0 "[ . 1]" 1
29 1 14 VAL HA 1 17 ALA H . . 4.590 2.883 2.744 3.212 . 0 0 "[ . 1]" 1
30 1 14 VAL HA 1 17 ALA MB . . 4.590 2.436 2.210 3.038 . 0 0 "[ . 1]" 1
31 1 14 VAL HB 1 18 ILE H . . 4.910 3.084 2.623 3.498 . 0 0 "[ . 1]" 1
32 1 14 VAL HB 1 18 ILE HA . . 5.200 4.800 4.290 5.136 . 0 0 "[ . 1]" 1
33 1 14 VAL HB 1 19 LYS H . . 5.470 5.333 5.111 5.469 . 0 0 "[ . 1]" 1
34 1 14 VAL QG 1 15 MET H . . 3.960 3.378 3.280 3.536 . 0 0 "[ . 1]" 1
35 1 14 VAL QG 1 15 MET HA . . 4.540 3.740 3.617 3.958 . 0 0 "[ . 1]" 1
36 1 14 VAL QG 1 16 GLU H . . 4.550 4.398 4.231 4.558 0.008 2 0 "[ . 1]" 1
37 1 14 VAL QG 1 17 ALA H . . 4.600 3.943 3.643 4.398 . 0 0 "[ . 1]" 1
38 1 14 VAL QG 1 18 ILE H . . 4.190 3.658 3.383 4.019 . 0 0 "[ . 1]" 1
39 1 15 MET H 1 15 MET QB . . 3.520 2.337 2.181 2.561 . 0 0 "[ . 1]" 1
40 1 15 MET H 1 15 MET QG . . 4.480 2.798 2.137 4.052 . 0 0 "[ . 1]" 1
41 1 15 MET HA 1 17 ALA H . . 4.990 4.613 4.390 4.984 . 0 0 "[ . 1]" 1
42 1 15 MET HA 1 18 ILE H . . 4.480 4.254 4.019 4.468 . 0 0 "[ . 1]" 1
43 1 15 MET HA 1 18 ILE HB . . 4.480 4.034 3.371 4.480 . 0 0 "[ . 1]" 1
44 1 15 MET HA 1 18 ILE QG . . 5.280 4.574 4.002 5.062 . 0 0 "[ . 1]" 1
45 1 15 MET QB 1 16 GLU H . . 3.740 2.944 2.743 3.636 . 0 0 "[ . 1]" 1
46 1 15 MET QG 1 16 GLU H . . 5.500 4.073 2.521 4.665 . 0 0 "[ . 1]" 1
47 1 16 GLU H 1 16 GLU QB . . 3.410 2.434 2.277 2.807 . 0 0 "[ . 1]" 1
48 1 16 GLU H 1 16 GLU QG . . 3.950 3.398 2.012 3.949 . 0 0 "[ . 1]" 1
49 1 16 GLU QB 1 17 ALA H . . 4.130 2.930 2.370 3.575 . 0 0 "[ . 1]" 1
50 1 16 GLU QG 1 17 ALA H . . 5.010 3.496 2.385 4.303 . 0 0 "[ . 1]" 1
51 1 16 GLU QG 1 18 ILE H . . 5.500 5.245 4.418 5.500 . 0 0 "[ . 1]" 1
52 1 17 ALA H 1 17 ALA MB . . 3.260 2.103 2.026 2.208 . 0 0 "[ . 1]" 1
53 1 17 ALA H 1 18 ILE H . . 4.310 2.682 2.507 2.801 . 0 0 "[ . 1]" 1
54 1 17 ALA H 1 18 ILE HB . . 5.150 4.984 4.822 5.145 . 0 0 "[ . 1]" 1
55 1 17 ALA MB 1 18 ILE H . . 3.600 2.591 2.273 2.956 . 0 0 "[ . 1]" 1
56 1 17 ALA MB 1 19 LYS H . . 5.380 4.541 4.199 4.900 . 0 0 "[ . 1]" 1
57 1 18 ILE H 1 18 ILE HB . . 3.310 2.564 2.508 2.778 . 0 0 "[ . 1]" 1
58 1 18 ILE H 1 18 ILE MD . . 4.390 3.508 3.137 4.166 . 0 0 "[ . 1]" 1
59 1 18 ILE H 1 18 ILE QG . . 3.780 2.362 1.988 4.018 0.238 10 0 "[ . 1]" 1
60 1 18 ILE H 1 18 ILE MG . . 4.000 3.593 1.950 3.788 . 0 0 "[ . 1]" 1
61 1 18 ILE H 1 19 LYS H . . 4.070 2.556 2.322 2.785 . 0 0 "[ . 1]" 1
62 1 18 ILE HA 1 18 ILE MD . . 4.060 2.749 1.960 3.873 . 0 0 "[ . 1]" 1
63 1 18 ILE MD 1 19 LYS H . . 4.790 4.511 4.080 4.688 . 0 0 "[ . 1]" 1
64 1 18 ILE QG 1 19 LYS H . . 5.240 3.925 3.785 4.073 . 0 0 "[ . 1]" 1
65 1 18 ILE MG 1 19 LYS H . . 5.500 3.293 2.081 3.734 . 0 0 "[ . 1]" 1
66 1 19 LYS H 1 19 LYS QB . . 3.530 2.716 2.213 3.302 . 0 0 "[ . 1]" 1
67 1 19 LYS H 1 19 LYS QD . . 5.370 4.471 4.132 4.837 . 0 0 "[ . 1]" 1
68 1 19 LYS H 1 19 LYS QE . . 5.500 4.829 4.336 5.498 . 0 0 "[ . 1]" 1
69 1 19 LYS H 1 19 LYS HG2 . . 5.500 3.755 2.279 4.670 . 0 0 "[ . 1]" 1
70 1 19 LYS H 1 19 LYS HG3 . . 5.500 4.130 2.742 4.968 . 0 0 "[ . 1]" 1
71 1 19 LYS H 1 20 GLU H . . 4.180 3.974 2.733 4.165 . 0 0 "[ . 1]" 1
72 1 19 LYS HA 1 20 GLU H . . 3.250 2.279 2.155 2.836 . 0 0 "[ . 1]" 1
73 1 19 LYS QB 1 20 GLU H . . 4.110 3.619 2.980 4.037 . 0 0 "[ . 1]" 1
74 1 19 LYS QB 1 21 VAL H . . 5.500 4.601 2.393 5.465 . 0 0 "[ . 1]" 1
75 1 19 LYS QG 1 21 VAL H . . 4.680 4.213 3.805 4.660 . 0 0 "[ . 1]" 1
76 1 19 LYS HG2 1 20 GLU H . . 4.990 4.409 3.397 4.982 . 0 0 "[ . 1]" 1
77 1 19 LYS HG3 1 20 GLU H . . 4.990 4.136 3.824 4.913 . 0 0 "[ . 1]" 1
78 1 20 GLU H 1 20 GLU QB . . 3.470 2.429 2.196 2.996 . 0 0 "[ . 1]" 1
79 1 20 GLU H 1 20 GLU QG . . 4.130 3.409 2.169 4.074 . 0 0 "[ . 1]" 1
80 1 20 GLU H 1 21 VAL H . . 4.330 3.614 1.958 4.328 . 0 0 "[ . 1]" 1
81 1 20 GLU H 1 21 VAL QG . . 4.730 3.978 3.050 4.721 . 0 0 "[ . 1]" 1
82 1 20 GLU HA 1 21 VAL H . . 3.530 2.550 2.139 3.494 . 0 0 "[ . 1]" 1
83 1 20 GLU QB 1 21 VAL H . . 4.230 3.541 2.818 4.011 . 0 0 "[ . 1]" 1
84 1 20 GLU QG 1 21 VAL H . . 4.970 4.081 3.357 4.442 . 0 0 "[ . 1]" 1
85 1 21 VAL H 1 21 VAL HB . . 3.780 3.357 2.611 3.780 . 0 0 "[ . 1]" 1
86 1 21 VAL H 1 21 VAL QG . . 3.470 2.053 1.835 2.386 . 0 0 "[ . 1]" 1
87 1 21 VAL H 1 22 LYS H . . 4.870 4.095 1.946 4.635 . 0 0 "[ . 1]" 1
88 1 21 VAL HA 1 22 LYS H . . 3.470 2.569 2.144 3.545 0.075 7 0 "[ . 1]" 1
89 1 21 VAL HA 1 22 LYS QB . . 4.980 4.312 4.160 4.436 . 0 0 "[ . 1]" 1
90 1 21 VAL HA 1 22 LYS QG . . 4.370 3.962 3.557 4.376 0.006 7 0 "[ . 1]" 1
91 1 21 VAL HB 1 22 LYS H . . 4.030 2.915 2.100 3.941 . 0 0 "[ . 1]" 1
92 1 21 VAL HB 1 22 LYS HA . . 4.780 4.634 4.477 4.861 0.081 7 0 "[ . 1]" 1
93 1 21 VAL HB 1 23 LEU H . . 5.500 2.862 2.308 4.173 . 0 0 "[ . 1]" 1
94 1 21 VAL HB 1 24 ALA H . . 5.500 4.433 3.515 5.424 . 0 0 "[ . 1]" 1
95 1 21 VAL QG 1 22 LYS H . . 4.350 2.889 1.895 3.550 . 0 0 "[ . 1]" 1
96 1 22 LYS H 1 22 LYS QB . . 3.430 2.731 2.261 3.303 . 0 0 "[ . 1]" 1
97 1 22 LYS H 1 22 LYS QG . . 4.350 2.722 1.995 3.238 . 0 0 "[ . 1]" 1
98 1 22 LYS H 1 23 LEU HA . . 5.130 4.696 4.385 5.192 0.062 7 0 "[ . 1]" 1
99 1 22 LYS HA 1 23 LEU H . . 3.370 3.119 2.893 3.400 0.030 8 0 "[ . 1]" 1
100 1 22 LYS HA 1 23 LEU QD . . 5.240 4.724 4.164 5.225 . 0 0 "[ . 1]" 1
101 1 22 LYS QB 1 23 LEU H . . 3.770 3.676 3.102 3.803 0.033 7 0 "[ . 1]" 1
102 1 22 LYS HB2 1 23 LEU H . . 4.420 4.001 3.265 4.152 . 0 0 "[ . 1]" 1
103 1 22 LYS HB3 1 23 LEU H . . 4.420 4.298 3.871 4.449 0.029 7 0 "[ . 1]" 1
104 1 22 LYS QG 1 23 LEU H . . 4.920 3.972 2.506 4.684 . 0 0 "[ . 1]" 1
105 1 23 LEU H 1 23 LEU HB2 . . 4.080 2.264 2.053 2.435 . 0 0 "[ . 1]" 1
106 1 23 LEU H 1 23 LEU HB3 . . 4.080 3.517 3.321 3.604 . 0 0 "[ . 1]" 1
107 1 23 LEU H 1 23 LEU QD . . 4.120 2.649 2.094 3.232 . 0 0 "[ . 1]" 1
108 1 23 LEU H 1 24 ALA H . . 3.430 2.853 2.253 3.175 . 0 0 "[ . 1]" 1
109 1 23 LEU H 1 24 ALA MB . . 5.370 4.209 3.923 4.433 . 0 0 "[ . 1]" 1
110 1 23 LEU H 1 25 GLU QG . . 5.340 5.230 4.976 5.335 . 0 0 "[ . 1]" 1
111 1 23 LEU HA 1 23 LEU QD . . 3.840 2.246 1.905 2.838 . 0 0 "[ . 1]" 1
112 1 23 LEU HA 1 25 GLU H . . 4.160 4.010 3.905 4.138 . 0 0 "[ . 1]" 1
113 1 23 LEU HA 1 25 GLU QB . . 4.810 4.677 4.489 4.809 . 0 0 "[ . 1]" 1
114 1 23 LEU QB 1 24 ALA H . . 3.960 2.248 1.942 2.773 . 0 0 "[ . 1]" 1
115 1 23 LEU QB 1 25 GLU H . . 4.960 2.809 2.172 4.698 . 0 0 "[ . 1]" 1
116 1 23 LEU QB 1 26 GLU H . . 5.050 4.246 4.041 4.677 . 0 0 "[ . 1]" 1
117 1 23 LEU QD 1 24 ALA H . . 4.750 3.752 3.614 4.207 . 0 0 "[ . 1]" 1
118 1 23 LEU QD 1 25 GLU H . . 5.190 3.899 2.899 5.188 . 0 0 "[ . 1]" 1
119 1 24 ALA H 1 24 ALA MB . . 3.100 2.687 2.051 2.860 . 0 0 "[ . 1]" 1
120 1 24 ALA H 1 25 GLU H . . 3.710 2.719 2.633 2.780 . 0 0 "[ . 1]" 1
121 1 24 ALA H 1 25 GLU QB . . 5.500 4.800 4.715 4.904 . 0 0 "[ . 1]" 1
122 1 24 ALA H 1 26 GLU H . . 4.440 4.285 4.152 4.405 . 0 0 "[ . 1]" 1
123 1 24 ALA HA 1 26 GLU H . . 4.480 3.622 3.420 4.208 . 0 0 "[ . 1]" 1
124 1 24 ALA HA 1 27 GLN H . . 4.510 3.615 3.437 3.812 . 0 0 "[ . 1]" 1
125 1 24 ALA HA 1 27 GLN QB . . 4.670 3.773 3.052 4.103 . 0 0 "[ . 1]" 1
126 1 24 ALA MB 1 25 GLU H . . 3.720 3.415 2.628 3.620 . 0 0 "[ . 1]" 1
127 1 24 ALA MB 1 26 GLU H . . 4.630 4.559 4.429 4.625 . 0 0 "[ . 1]" 1
128 1 24 ALA MB 1 27 GLN H . . 4.780 4.133 3.948 4.447 . 0 0 "[ . 1]" 1
129 1 24 ALA MB 1 27 GLN QG . . 5.090 4.222 2.803 5.049 . 0 0 "[ . 1]" 1
130 1 25 GLU H 1 25 GLU QB . . 3.230 2.467 2.335 2.664 . 0 0 "[ . 1]" 1
131 1 25 GLU H 1 25 GLU HG2 . . 3.970 2.706 1.952 3.310 . 0 0 "[ . 1]" 1
132 1 25 GLU H 1 25 GLU QG . . 3.480 2.320 1.940 2.602 . 0 0 "[ . 1]" 1
133 1 25 GLU H 1 25 GLU HG3 . . 3.970 2.837 2.607 3.386 . 0 0 "[ . 1]" 1
134 1 25 GLU H 1 27 GLN H . . 4.470 4.136 4.032 4.311 . 0 0 "[ . 1]" 1
135 1 25 GLU HA 1 28 ALA H . . 3.980 3.390 2.940 3.547 . 0 0 "[ . 1]" 1
136 1 25 GLU QG 1 26 GLU H . . 4.310 3.581 2.209 4.219 . 0 0 "[ . 1]" 1
137 1 25 GLU HG2 1 26 GLU H . . 4.900 4.283 3.010 4.900 . 0 0 "[ . 1]" 1
138 1 25 GLU HG3 1 26 GLU H . . 4.900 3.946 2.240 4.877 . 0 0 "[ . 1]" 1
139 1 26 GLU H 1 26 GLU QB . . 2.960 2.284 2.152 2.540 . 0 0 "[ . 1]" 1
140 1 26 GLU H 1 26 GLU HG2 . . 5.240 4.139 2.712 4.634 . 0 0 "[ . 1]" 1
141 1 26 GLU H 1 26 GLU HG3 . . 5.240 3.899 2.089 4.588 . 0 0 "[ . 1]" 1
142 1 26 GLU H 1 27 GLN H . . 3.580 2.658 2.613 2.708 . 0 0 "[ . 1]" 1
143 1 26 GLU H 1 29 VAL QG . . 5.070 4.255 3.836 5.098 0.028 6 0 "[ . 1]" 1
144 1 26 GLU HA 1 28 ALA H . . 4.100 3.990 3.866 4.147 0.047 6 0 "[ . 1]" 1
145 1 26 GLU HA 1 29 VAL H . . 4.360 3.413 3.271 3.716 . 0 0 "[ . 1]" 1
146 1 26 GLU HA 1 29 VAL HA . . 5.500 5.454 5.069 5.588 0.088 1 0 "[ . 1]" 1
147 1 26 GLU HA 1 29 VAL HB . . 5.000 4.011 3.183 4.684 . 0 0 "[ . 1]" 1
148 1 26 GLU HA 1 29 VAL QG . . 4.000 2.120 1.864 3.120 . 0 0 "[ . 1]" 1
149 1 26 GLU QG 1 27 GLN H . . 4.370 3.972 2.184 4.274 . 0 0 "[ . 1]" 1
150 1 27 GLN H 1 27 GLN QB . . 3.010 2.266 2.167 2.488 . 0 0 "[ . 1]" 1
151 1 27 GLN H 1 27 GLN QG . . 4.230 3.539 2.176 4.063 . 0 0 "[ . 1]" 1
152 1 27 GLN H 1 28 ALA H . . 3.750 2.565 2.258 2.707 . 0 0 "[ . 1]" 1
153 1 27 GLN H 1 28 ALA MB . . 5.190 4.221 3.903 4.372 . 0 0 "[ . 1]" 1
154 1 27 GLN H 1 29 VAL H . . 5.460 4.241 3.894 4.466 . 0 0 "[ . 1]" 1
155 1 27 GLN HA 1 27 GLN QE . . 5.170 3.944 2.372 4.789 . 0 0 "[ . 1]" 1
156 1 27 GLN HA 1 29 VAL H . . 4.940 4.450 3.956 4.931 . 0 0 "[ . 1]" 1
157 1 27 GLN QB 1 27 GLN HE22 . . 4.950 4.011 3.372 4.452 . 0 0 "[ . 1]" 1
158 1 27 GLN QB 1 28 ALA H . . 3.520 2.828 2.686 2.986 . 0 0 "[ . 1]" 1
159 1 27 GLN QB 1 28 ALA HA . . 5.120 4.042 3.883 4.194 . 0 0 "[ . 1]" 1
160 1 27 GLN QG 1 28 ALA H . . 4.430 4.207 3.968 4.420 . 0 0 "[ . 1]" 1
161 1 27 GLN QG 1 28 ALA MB . . 5.500 5.000 4.585 5.435 . 0 0 "[ . 1]" 1
162 1 28 ALA H 1 28 ALA MB . . 3.040 2.172 2.067 2.261 . 0 0 "[ . 1]" 1
163 1 28 ALA H 1 29 VAL H . . 3.980 2.543 2.411 2.677 . 0 0 "[ . 1]" 1
164 1 28 ALA H 1 29 VAL HA . . 5.410 5.143 4.962 5.259 . 0 0 "[ . 1]" 1
165 1 28 ALA H 1 29 VAL QG . . 4.510 3.608 3.364 3.899 . 0 0 "[ . 1]" 1
166 1 28 ALA H 1 30 LYS H . . 4.380 4.014 3.752 4.335 . 0 0 "[ . 1]" 1
167 1 28 ALA HA 1 31 GLU H . . 4.410 3.329 2.979 3.638 . 0 0 "[ . 1]" 1
168 1 28 ALA HA 1 31 GLU QB . . 3.530 2.765 2.516 3.571 0.041 1 0 "[ . 1]" 1
169 1 28 ALA HA 1 32 ILE H . . 5.360 3.922 3.735 4.216 . 0 0 "[ . 1]" 1
170 1 28 ALA MB 1 29 VAL H . . 3.630 2.624 2.270 2.947 . 0 0 "[ . 1]" 1
171 1 28 ALA MB 1 31 GLU H . . 5.160 4.409 4.122 4.723 . 0 0 "[ . 1]" 1
172 1 28 ALA MB 1 32 ILE H . . 4.880 4.276 3.747 4.856 . 0 0 "[ . 1]" 1
173 1 29 VAL H 1 29 VAL HB . . 3.720 2.980 2.435 3.647 . 0 0 "[ . 1]" 1
174 1 29 VAL H 1 29 VAL QG . . 3.400 2.007 1.832 2.300 . 0 0 "[ . 1]" 1
175 1 29 VAL H 1 30 LYS H . . 3.720 2.652 2.347 2.790 . 0 0 "[ . 1]" 1
176 1 29 VAL H 1 30 LYS QB . . 5.280 4.463 4.130 4.834 . 0 0 "[ . 1]" 1
177 1 29 VAL HA 1 30 LYS HA . . 5.500 4.731 4.714 4.771 . 0 0 "[ . 1]" 1
178 1 29 VAL HA 1 32 ILE H . . 4.750 3.734 3.525 3.818 . 0 0 "[ . 1]" 1
179 1 29 VAL HA 1 32 ILE HB . . 4.870 4.818 4.707 4.866 . 0 0 "[ . 1]" 1
180 1 29 VAL HA 1 32 ILE HG13 . . 5.500 2.353 2.242 2.475 . 0 0 "[ . 1]" 1
181 1 29 VAL HA 1 33 GLU H . . 4.890 3.974 3.804 4.173 . 0 0 "[ . 1]" 1
182 1 29 VAL HB 1 30 LYS H . . 3.940 3.415 2.736 3.964 0.024 3 0 "[ . 1]" 1
183 1 29 VAL QG 1 31 GLU H . . 5.380 4.221 3.946 4.587 . 0 0 "[ . 1]" 1
184 1 29 VAL MG1 1 30 LYS H . . 4.730 3.420 1.918 3.949 . 0 0 "[ . 1]" 1
185 1 29 VAL MG2 1 30 LYS H . . 4.730 3.141 2.115 3.890 . 0 0 "[ . 1]" 1
186 1 30 LYS H 1 30 LYS QB . . 3.280 2.231 2.073 2.412 . 0 0 "[ . 1]" 1
187 1 30 LYS H 1 30 LYS QD . . 4.910 4.305 3.921 4.733 . 0 0 "[ . 1]" 1
188 1 30 LYS H 1 30 LYS QE . . 5.500 4.544 4.022 5.487 . 0 0 "[ . 1]" 1
189 1 30 LYS H 1 31 GLU H . . 3.890 2.470 2.422 2.551 . 0 0 "[ . 1]" 1
190 1 30 LYS H 1 32 ILE H . . 4.710 4.290 3.995 4.530 . 0 0 "[ . 1]" 1
191 1 30 LYS H 1 32 ILE HG13 . . 5.340 4.340 4.234 4.476 . 0 0 "[ . 1]" 1
192 1 30 LYS HA 1 33 GLU H . . 4.490 3.701 3.478 3.863 . 0 0 "[ . 1]" 1
193 1 30 LYS HA 1 34 GLU H . . 4.860 3.978 3.411 4.353 . 0 0 "[ . 1]" 1
194 1 30 LYS QB 1 31 GLU H . . 3.790 2.879 2.630 3.544 . 0 0 "[ . 1]" 1
195 1 30 LYS QB 1 34 GLU H . . 5.500 5.082 4.407 5.499 . 0 0 "[ . 1]" 1
196 1 30 LYS QG 1 31 GLU H . . 5.370 4.012 2.063 4.592 . 0 0 "[ . 1]" 1
197 1 30 LYS QG 1 34 GLU H . . 5.490 4.929 4.280 5.490 . 0 0 "[ . 1]" 1
198 1 31 GLU H 1 31 GLU QB . . 3.300 2.280 2.170 2.460 . 0 0 "[ . 1]" 1
199 1 31 GLU H 1 31 GLU HG2 . . 4.840 3.946 2.291 4.640 . 0 0 "[ . 1]" 1
200 1 31 GLU H 1 31 GLU QG . . 4.110 3.410 2.259 4.035 . 0 0 "[ . 1]" 1
201 1 31 GLU H 1 31 GLU HG3 . . 4.840 3.884 2.567 4.505 . 0 0 "[ . 1]" 1
202 1 31 GLU H 1 32 ILE H . . 3.700 2.594 2.418 2.673 . 0 0 "[ . 1]" 1
203 1 31 GLU H 1 32 ILE HA . . 5.330 5.205 5.094 5.253 . 0 0 "[ . 1]" 1
204 1 31 GLU H 1 32 ILE HG13 . . 5.150 3.783 3.703 3.897 . 0 0 "[ . 1]" 1
205 1 31 GLU HA 1 33 GLU H . . 5.050 4.261 4.130 4.479 . 0 0 "[ . 1]" 1
206 1 31 GLU HA 1 34 GLU H . . 5.010 3.645 3.350 4.076 . 0 0 "[ . 1]" 1
207 1 31 GLU QB 1 32 ILE H . . 3.680 2.456 2.180 3.488 . 0 0 "[ . 1]" 1
208 1 31 GLU QG 1 32 ILE H . . 4.390 3.552 2.237 4.231 . 0 0 "[ . 1]" 1
209 1 32 ILE H 1 32 ILE HB . . 3.810 3.619 3.613 3.654 . 0 0 "[ . 1]" 1
210 1 32 ILE H 1 32 ILE MD . . 3.920 3.691 3.540 3.752 . 0 0 "[ . 1]" 1
211 1 32 ILE H 1 32 ILE HG13 . . 3.620 2.118 1.942 2.206 . 0 0 "[ . 1]" 1
212 1 32 ILE H 1 32 ILE MG . . 4.140 2.227 2.096 2.341 . 0 0 "[ . 1]" 1
213 1 32 ILE H 1 33 GLU H . . 3.730 2.637 2.322 2.773 . 0 0 "[ . 1]" 1
214 1 32 ILE H 1 34 GLU H . . 5.150 4.368 4.038 4.703 . 0 0 "[ . 1]" 1
215 1 32 ILE H 1 35 ALA MB . . 5.500 4.894 4.514 5.402 . 0 0 "[ . 1]" 1
216 1 32 ILE HA 1 34 GLU H . . 5.030 4.650 4.222 5.028 . 0 0 "[ . 1]" 1
217 1 32 ILE HA 1 35 ALA H . . 4.440 3.683 3.426 3.916 . 0 0 "[ . 1]" 1
218 1 32 ILE HA 1 35 ALA MB . . 3.930 2.870 2.526 3.441 . 0 0 "[ . 1]" 1
219 1 32 ILE HA 1 36 LYS H . . 5.300 4.714 4.126 5.295 . 0 0 "[ . 1]" 1
220 1 32 ILE HB 1 32 ILE MD . . 3.730 2.096 2.055 2.152 . 0 0 "[ . 1]" 1
221 1 32 ILE HB 1 33 GLU H . . 4.000 3.842 3.822 3.860 . 0 0 "[ . 1]" 1
222 1 32 ILE MD 1 33 GLU H . . 3.850 2.536 2.468 2.614 . 0 0 "[ . 1]" 1
223 1 32 ILE MD 1 34 GLU H . . 5.230 4.546 4.458 4.659 . 0 0 "[ . 1]" 1
224 1 32 ILE MD 1 36 LYS H . . 5.290 4.788 4.575 5.019 . 0 0 "[ . 1]" 1
225 1 32 ILE HG13 1 33 GLU H . . 4.400 2.048 2.018 2.070 . 0 0 "[ . 1]" 1
226 1 32 ILE HG13 1 34 GLU H . . 5.070 4.619 4.329 4.819 . 0 0 "[ . 1]" 1
227 1 32 ILE MG 1 33 GLU H . . 5.430 3.936 3.917 3.959 . 0 0 "[ . 1]" 1
228 1 33 GLU H 1 33 GLU QB . . 3.140 2.269 2.201 2.479 . 0 0 "[ . 1]" 1
229 1 33 GLU H 1 33 GLU QG . . 4.060 3.814 2.224 4.049 . 0 0 "[ . 1]" 1
230 1 33 GLU H 1 34 GLU H . . 3.800 2.630 2.391 2.792 . 0 0 "[ . 1]" 1
231 1 33 GLU H 1 35 ALA H . . 4.180 3.955 3.712 4.165 . 0 0 "[ . 1]" 1
232 1 33 GLU H 1 35 ALA MB . . 5.040 4.696 4.386 5.036 . 0 0 "[ . 1]" 1
233 1 33 GLU HA 1 37 ASN HD21 . . 5.500 5.135 4.554 5.501 0.001 3 0 "[ . 1]" 1
234 1 33 GLU QB 1 34 GLU H . . 3.540 2.524 2.143 3.509 . 0 0 "[ . 1]" 1
235 1 33 GLU QB 1 36 LYS H . . 5.500 4.953 4.631 5.188 . 0 0 "[ . 1]" 1
236 1 33 GLU QG 1 34 GLU H . . 4.100 3.329 2.255 3.680 . 0 0 "[ . 1]" 1
237 1 33 GLU QG 1 36 LYS H . . 5.150 4.733 4.378 5.094 . 0 0 "[ . 1]" 1
238 1 33 GLU QG 1 37 ASN H . . 5.500 4.292 3.912 4.810 . 0 0 "[ . 1]" 1
239 1 33 GLU QG 1 37 ASN HD21 . . 4.730 3.761 3.164 4.463 . 0 0 "[ . 1]" 1
240 1 33 GLU QG 1 37 ASN HD22 . . 4.650 3.030 2.167 4.489 . 0 0 "[ . 1]" 1
241 1 34 GLU H 1 34 GLU QB . . 3.660 2.219 2.147 2.247 . 0 0 "[ . 1]" 1
242 1 34 GLU H 1 34 GLU QG . . 4.250 3.968 3.874 4.058 . 0 0 "[ . 1]" 1
243 1 34 GLU H 1 35 ALA H . . 3.650 2.718 2.525 2.767 . 0 0 "[ . 1]" 1
244 1 34 GLU H 1 35 ALA MB . . 5.500 4.347 4.203 4.416 . 0 0 "[ . 1]" 1
245 1 34 GLU H 1 36 LYS H . . 5.480 4.330 4.140 4.590 . 0 0 "[ . 1]" 1
246 1 34 GLU H 1 37 ASN QB . . 5.450 4.987 4.538 5.449 . 0 0 "[ . 1]" 1
247 1 34 GLU HA 1 37 ASN H . . 3.960 3.426 3.220 3.693 . 0 0 "[ . 1]" 1
248 1 34 GLU HA 1 37 ASN QB . . 4.080 2.615 2.131 3.156 . 0 0 "[ . 1]" 1
249 1 34 GLU HA 1 37 ASN HD21 . . 5.500 4.587 3.683 5.270 . 0 0 "[ . 1]" 1
250 1 34 GLU HA 1 37 ASN HD22 . . 5.500 4.717 4.349 5.351 . 0 0 "[ . 1]" 1
251 1 34 GLU QB 1 35 ALA H . . 3.540 2.761 2.663 2.848 . 0 0 "[ . 1]" 1
252 1 34 GLU QB 1 36 LYS H . . 5.500 4.865 4.686 5.051 . 0 0 "[ . 1]" 1
253 1 34 GLU QB 1 37 ASN H . . 5.400 4.985 4.841 5.172 . 0 0 "[ . 1]" 1
254 1 34 GLU QB 1 37 ASN QB . . 4.870 4.429 4.046 4.822 . 0 0 "[ . 1]" 1
255 1 34 GLU QG 1 35 ALA H . . 4.570 3.919 3.525 4.165 . 0 0 "[ . 1]" 1
256 1 34 GLU QG 1 37 ASN H . . 5.340 4.863 4.539 5.315 . 0 0 "[ . 1]" 1
257 1 34 GLU QG 1 38 ARG H . . 5.340 4.579 3.456 5.340 0.000 8 0 "[ . 1]" 1
258 1 34 GLU HG2 1 35 ALA H . . 5.190 4.401 3.731 5.136 . 0 0 "[ . 1]" 1
259 1 34 GLU HG3 1 35 ALA H . . 5.190 4.623 3.629 5.145 . 0 0 "[ . 1]" 1
260 1 35 ALA H 1 35 ALA MB . . 3.010 2.141 2.048 2.247 . 0 0 "[ . 1]" 1
261 1 35 ALA H 1 37 ASN QB . . 5.500 4.828 4.560 5.094 . 0 0 "[ . 1]" 1
262 1 35 ALA MB 1 36 LYS H . . 3.540 2.606 2.405 2.772 . 0 0 "[ . 1]" 1
263 1 35 ALA MB 1 37 ASN H . . 5.190 4.421 4.257 4.597 . 0 0 "[ . 1]" 1
264 1 35 ALA MB 1 37 ASN QB . . 5.500 5.429 5.221 5.499 . 0 0 "[ . 1]" 1
265 1 36 LYS H 1 36 LYS QB . . 3.070 2.302 2.181 2.565 . 0 0 "[ . 1]" 1
266 1 36 LYS H 1 36 LYS QE . . 5.500 4.936 4.524 5.498 . 0 0 "[ . 1]" 1
267 1 36 LYS H 1 36 LYS QG . . 4.880 3.075 2.121 3.988 . 0 0 "[ . 1]" 1
268 1 36 LYS H 1 37 ASN H . . 3.900 2.529 2.410 2.753 . 0 0 "[ . 1]" 1
269 1 36 LYS H 1 37 ASN QB . . 5.500 4.448 4.142 4.890 . 0 0 "[ . 1]" 1
270 1 36 LYS H 1 38 ARG QG . . 4.980 4.735 4.541 4.981 0.001 1 0 "[ . 1]" 1
271 1 36 LYS QB 1 37 ASN H . . 3.730 2.845 2.516 3.590 . 0 0 "[ . 1]" 1
272 1 36 LYS QB 1 37 ASN HA . . 4.990 4.005 3.840 4.439 . 0 0 "[ . 1]" 1
273 1 36 LYS QB 1 37 ASN HD22 . . 5.140 4.412 3.831 5.003 . 0 0 "[ . 1]" 1
274 1 36 LYS QD 1 37 ASN H . . 5.500 4.677 3.614 5.432 . 0 0 "[ . 1]" 1
275 1 36 LYS QG 1 37 ASN H . . 5.320 4.025 2.330 4.406 . 0 0 "[ . 1]" 1
276 1 37 ASN H 1 37 ASN QB . . 3.400 2.307 2.083 2.558 . 0 0 "[ . 1]" 1
277 1 37 ASN H 1 37 ASN HD21 . . 5.230 2.947 2.121 3.722 . 0 0 "[ . 1]" 1
278 1 37 ASN H 1 37 ASN HD22 . . 4.870 3.986 3.683 4.308 . 0 0 "[ . 1]" 1
279 1 37 ASN H 1 38 ARG QG . . 5.500 4.116 3.775 4.379 . 0 0 "[ . 1]" 1
280 1 37 ASN H 1 40 GLU QB . . 5.500 5.241 4.739 5.501 0.001 1 0 "[ . 1]" 1
281 1 37 ASN HA 1 37 ASN HD22 . . 4.850 3.474 3.321 3.575 . 0 0 "[ . 1]" 1
282 1 37 ASN HA 1 38 ARG HA . . 5.000 4.843 4.759 4.880 . 0 0 "[ . 1]" 1
283 1 37 ASN HA 1 39 ALA H . . 5.230 3.931 3.689 4.177 . 0 0 "[ . 1]" 1
284 1 37 ASN HA 1 40 GLU H . . 4.770 3.253 3.113 3.586 . 0 0 "[ . 1]" 1
285 1 37 ASN HA 1 40 GLU QB . . 4.070 2.874 2.608 3.259 . 0 0 "[ . 1]" 1
286 1 37 ASN HA 1 40 GLU QG . . 4.840 3.923 2.654 4.839 . 0 0 "[ . 1]" 1
287 1 37 ASN HA 1 41 GLN H . . 4.790 4.689 4.586 4.813 0.023 1 0 "[ . 1]" 1
288 1 37 ASN QB 1 37 ASN HD22 . . 3.560 3.433 3.423 3.438 . 0 0 "[ . 1]" 1
289 1 37 ASN QB 1 38 ARG H . . 3.760 2.637 2.234 2.957 . 0 0 "[ . 1]" 1
290 1 37 ASN QB 1 39 ALA H . . 5.500 4.500 4.305 4.625 . 0 0 "[ . 1]" 1
291 1 37 ASN QB 1 39 ALA MB . . 5.500 5.437 5.345 5.501 0.001 7 0 "[ . 1]" 1
292 1 37 ASN QB 1 40 GLU H . . 5.500 4.541 4.300 4.866 . 0 0 "[ . 1]" 1
293 1 37 ASN QB 1 41 GLN H . . 5.220 4.920 4.482 5.199 . 0 0 "[ . 1]" 1
294 1 37 ASN HD21 1 40 GLU H . . 5.500 5.273 4.739 5.498 . 0 0 "[ . 1]" 1
295 1 37 ASN HD21 1 40 GLU QB . . 5.010 4.322 3.502 4.937 . 0 0 "[ . 1]" 1
296 1 38 ARG H 1 38 ARG QB . . 3.130 2.481 2.310 2.622 . 0 0 "[ . 1]" 1
297 1 38 ARG H 1 38 ARG QD . . 5.100 3.984 3.594 4.190 . 0 0 "[ . 1]" 1
298 1 38 ARG H 1 38 ARG QG . . 4.260 2.219 1.948 2.534 . 0 0 "[ . 1]" 1
299 1 38 ARG H 1 39 ALA H . . 3.930 2.726 2.627 2.757 . 0 0 "[ . 1]" 1
300 1 38 ARG H 1 39 ALA MB . . 4.550 4.352 4.302 4.402 . 0 0 "[ . 1]" 1
301 1 38 ARG H 1 40 GLU H . . 4.310 4.221 4.087 4.310 . 9 0 "[ . 1]" 1
302 1 38 ARG HA 1 38 ARG QD . . 4.270 3.540 2.493 4.169 . 0 0 "[ . 1]" 1
303 1 38 ARG QB 1 39 ALA H . . 3.730 3.082 2.676 3.558 . 0 0 "[ . 1]" 1
304 1 38 ARG QB 1 40 GLU H . . 5.340 4.882 4.628 5.219 . 0 0 "[ . 1]" 1
305 1 38 ARG QD 1 39 ALA H . . 5.280 4.332 3.050 5.305 0.025 1 0 "[ . 1]" 1
306 1 38 ARG QG 1 39 ALA H . . 4.630 3.214 2.024 4.057 . 0 0 "[ . 1]" 1
307 1 38 ARG QG 1 40 GLU H . . 5.500 5.086 4.396 5.548 0.048 1 0 "[ . 1]" 1
308 1 39 ALA H 1 39 ALA MB . . 3.010 2.133 2.056 2.225 . 0 0 "[ . 1]" 1
309 1 39 ALA H 1 40 GLU H . . 3.730 2.518 2.467 2.600 . 0 0 "[ . 1]" 1
310 1 39 ALA H 1 41 GLN H . . 4.040 3.960 3.876 4.033 . 0 0 "[ . 1]" 1
311 1 39 ALA MB 1 40 GLU H . . 3.800 2.776 2.571 2.897 . 0 0 "[ . 1]" 1
312 1 39 ALA MB 1 41 GLN H . . 4.990 4.420 4.341 4.522 . 0 0 "[ . 1]" 1
313 1 40 GLU H 1 40 GLU QB . . 3.380 2.231 2.136 2.352 . 0 0 "[ . 1]" 1
314 1 40 GLU H 1 40 GLU QG . . 3.990 3.225 2.471 3.975 . 0 0 "[ . 1]" 1
315 1 40 GLU H 1 41 GLN H . . 3.580 2.499 2.417 2.590 . 0 0 "[ . 1]" 1
316 1 40 GLU HA 1 43 LYS H . . 3.830 3.254 3.103 3.366 . 0 0 "[ . 1]" 1
317 1 40 GLU QB 1 41 GLN H . . 3.840 2.957 2.809 3.570 . 0 0 "[ . 1]" 1
318 1 40 GLU QB 1 43 LYS H . . 5.270 4.975 4.737 5.132 . 0 0 "[ . 1]" 1
319 1 40 GLU QB 1 44 ALA H . . 5.010 4.639 4.274 4.954 . 0 0 "[ . 1]" 1
320 1 40 GLU QG 1 41 GLN H . . 4.780 4.091 2.313 4.492 . 0 0 "[ . 1]" 1
321 1 41 GLN H 1 41 GLN QB . . 3.120 2.275 2.189 2.507 . 0 0 "[ . 1]" 1
322 1 41 GLN H 1 41 GLN HE21 . . 5.500 4.734 3.896 5.331 . 0 0 "[ . 1]" 1
323 1 41 GLN H 1 41 GLN QG . . 4.230 3.479 2.101 4.034 . 0 0 "[ . 1]" 1
324 1 41 GLN H 1 44 ALA MB . . 5.500 4.548 4.414 4.871 . 0 0 "[ . 1]" 1
325 1 41 GLN QB 1 42 ILE H . . 3.680 2.892 2.867 2.908 . 0 0 "[ . 1]" 1
326 1 41 GLN QB 1 44 ALA MB . . 4.620 4.410 4.209 4.522 . 0 0 "[ . 1]" 1
327 1 41 GLN HE21 1 42 ILE H . . 5.500 5.011 4.447 5.472 . 0 0 "[ . 1]" 1
328 1 41 GLN QG 1 42 ILE H . . 5.000 4.181 3.889 4.568 . 0 0 "[ . 1]" 1
329 1 42 ILE H 1 42 ILE HB . . 3.170 2.532 2.505 2.601 . 0 0 "[ . 1]" 1
330 1 42 ILE H 1 42 ILE MD . . 3.870 2.895 1.966 3.650 . 0 0 "[ . 1]" 1
331 1 42 ILE H 1 42 ILE QG . . 3.500 2.602 2.148 3.095 . 0 0 "[ . 1]" 1
332 1 42 ILE H 1 42 ILE MG . . 3.880 3.791 3.781 3.804 . 0 0 "[ . 1]" 1
333 1 42 ILE H 1 43 LYS H . . 3.700 2.419 2.374 2.463 . 0 0 "[ . 1]" 1
334 1 42 ILE H 1 44 ALA H . . 3.570 3.572 3.560 3.617 0.047 5 0 "[ . 1]" 1
335 1 42 ILE H 1 44 ALA MB . . 4.560 4.254 4.164 4.424 . 0 0 "[ . 1]" 1
336 1 42 ILE HA 1 42 ILE MD . . 3.930 3.098 1.973 3.882 . 0 0 "[ . 1]" 1
337 1 42 ILE HA 1 45 GLU H . . 4.510 3.880 3.771 3.982 . 0 0 "[ . 1]" 1
338 1 42 ILE HB 1 42 ILE MD . . 3.700 2.513 2.145 3.230 . 0 0 "[ . 1]" 1
339 1 42 ILE HB 1 43 LYS H . . 3.210 2.408 2.394 2.466 . 0 0 "[ . 1]" 1
340 1 42 ILE MD 1 43 LYS H . . 4.600 4.083 3.552 4.579 . 0 0 "[ . 1]" 1
341 1 42 ILE MG 1 43 LYS H . . 5.120 3.355 3.266 3.555 . 0 0 "[ . 1]" 1
342 1 42 ILE MG 1 44 ALA H . . 5.050 4.731 4.612 4.897 . 0 0 "[ . 1]" 1
343 1 42 ILE MG 1 46 ALA H . . 5.500 4.953 4.358 5.501 0.001 9 0 "[ . 1]" 1
344 1 43 LYS H 1 43 LYS QB . . 3.450 2.398 2.183 2.624 . 0 0 "[ . 1]" 1
345 1 43 LYS H 1 43 LYS QD . . 4.750 3.744 1.943 4.622 . 0 0 "[ . 1]" 1
346 1 43 LYS H 1 43 LYS QE . . 5.320 4.307 3.200 4.911 . 0 0 "[ . 1]" 1
347 1 43 LYS H 1 43 LYS QG . . 4.530 2.768 1.940 3.957 . 0 0 "[ . 1]" 1
348 1 43 LYS H 1 44 ALA H . . 3.740 2.614 2.494 2.696 . 0 0 "[ . 1]" 1
349 1 43 LYS H 1 44 ALA MB . . 5.250 4.242 4.170 4.362 . 0 0 "[ . 1]" 1
350 1 43 LYS H 1 45 GLU H . . 5.430 4.364 4.330 4.422 . 0 0 "[ . 1]" 1
351 1 43 LYS HA 1 46 ALA H . . 3.760 3.270 3.003 3.638 . 0 0 "[ . 1]" 1
352 1 43 LYS QB 1 44 ALA H . . 3.400 2.901 2.859 2.972 . 0 0 "[ . 1]" 1
353 1 43 LYS QB 1 45 GLU H . . 5.000 4.686 4.594 4.846 . 0 0 "[ . 1]" 1
354 1 43 LYS QB 1 46 ALA H . . 4.830 4.560 4.329 4.846 0.016 5 0 "[ . 1]" 1
355 1 43 LYS HB2 1 46 ALA H . . 5.500 5.412 5.288 5.508 0.008 9 0 "[ . 1]" 1
356 1 43 LYS HB3 1 46 ALA H . . 5.500 4.936 4.582 5.507 0.007 5 0 "[ . 1]" 1
357 1 44 ALA H 1 44 ALA MB . . 2.940 2.156 2.036 2.234 . 0 0 "[ . 1]" 1
358 1 44 ALA H 1 45 GLU H . . 3.840 2.740 2.700 2.766 . 0 0 "[ . 1]" 1
359 1 44 ALA H 1 46 ALA H . . 4.500 4.280 4.175 4.498 . 0 0 "[ . 1]" 1
360 1 44 ALA H 1 47 ILE MD . . 4.660 3.780 3.583 4.145 . 0 0 "[ . 1]" 1
361 1 44 ALA HA 1 47 ILE H . . 4.250 3.596 3.131 3.975 . 0 0 "[ . 1]" 1
362 1 44 ALA HA 1 47 ILE HB . . 4.270 3.278 2.695 3.934 . 0 0 "[ . 1]" 1
363 1 44 ALA MB 1 45 GLU H . . 3.510 2.795 2.648 2.879 . 0 0 "[ . 1]" 1
364 1 45 GLU H 1 45 GLU QB . . 3.250 2.373 2.048 2.480 . 0 0 "[ . 1]" 1
365 1 45 GLU H 1 45 GLU QG . . 3.500 2.501 2.097 3.501 0.001 3 0 "[ . 1]" 1
366 1 45 GLU H 1 46 ALA H . . 3.430 2.576 2.412 2.854 . 0 0 "[ . 1]" 1
367 1 45 GLU H 1 47 ILE H . . 4.780 4.051 3.963 4.147 . 0 0 "[ . 1]" 1
368 1 45 GLU H 1 47 ILE HB . . 5.500 5.451 5.303 5.505 0.005 2 0 "[ . 1]" 1
369 1 45 GLU H 1 47 ILE MD . . 5.010 4.269 4.100 4.527 . 0 0 "[ . 1]" 1
370 1 45 GLU QB 1 46 ALA H . . 3.420 2.693 2.492 2.856 . 0 0 "[ . 1]" 1
371 1 45 GLU QB 1 46 ALA HA . . 4.210 3.892 3.706 4.011 . 0 0 "[ . 1]" 1
372 1 45 GLU QB 1 47 ILE H . . 5.500 4.548 4.405 4.649 . 0 0 "[ . 1]" 1
373 1 45 GLU QG 1 46 ALA H . . 4.300 4.179 3.963 4.370 0.070 5 0 "[ . 1]" 1
374 1 46 ALA H 1 46 ALA MB . . 2.860 2.195 2.108 2.268 . 0 0 "[ . 1]" 1
375 1 46 ALA H 1 47 ILE H . . 3.610 2.636 2.358 2.790 . 0 0 "[ . 1]" 1
376 1 46 ALA H 1 47 ILE HA . . 5.380 5.233 5.025 5.379 . 0 0 "[ . 1]" 1
377 1 46 ALA H 1 47 ILE MD . . 4.840 3.776 3.341 4.142 . 0 0 "[ . 1]" 1
378 1 46 ALA H 1 47 ILE HG13 . . 5.500 4.643 3.868 5.107 . 0 0 "[ . 1]" 1
379 1 46 ALA HA 1 48 GLU H . . 5.300 4.664 4.149 5.307 0.007 8 0 "[ . 1]" 1
380 1 46 ALA HA 1 49 GLU H . . 4.340 4.128 3.774 4.375 0.035 6 0 "[ . 1]" 1
381 1 46 ALA HA 1 49 GLU QB . . 4.480 3.563 2.409 4.469 . 0 0 "[ . 1]" 1
382 1 46 ALA MB 1 47 ILE H . . 3.520 2.881 2.660 3.484 . 0 0 "[ . 1]" 1
383 1 47 ILE H 1 47 ILE HB . . 3.290 2.546 2.487 2.704 . 0 0 "[ . 1]" 1
384 1 47 ILE H 1 47 ILE MD . . 3.850 2.655 2.309 3.464 . 0 0 "[ . 1]" 1
385 1 47 ILE H 1 47 ILE HG13 . . 3.570 2.745 2.264 3.027 . 0 0 "[ . 1]" 1
386 1 47 ILE H 1 47 ILE MG . . 4.120 3.790 3.767 3.876 . 0 0 "[ . 1]" 1
387 1 47 ILE H 1 48 GLU H . . 3.490 2.454 2.072 2.979 . 0 0 "[ . 1]" 1
388 1 47 ILE H 1 48 GLU QB . . 5.500 4.253 3.836 5.190 . 0 0 "[ . 1]" 1
389 1 47 ILE H 1 48 GLU QG . . 5.500 4.661 3.834 5.509 0.009 6 0 "[ . 1]" 1
390 1 47 ILE H 1 49 GLU H . . 5.500 3.835 2.971 4.114 . 0 0 "[ . 1]" 1
391 1 47 ILE HA 1 47 ILE HG13 . . 3.950 2.429 2.355 2.559 . 0 0 "[ . 1]" 1
392 1 47 ILE HA 1 49 GLU H . . 5.500 3.748 3.504 4.136 . 0 0 "[ . 1]" 1
393 1 47 ILE HA 1 50 ALA H . . 4.450 3.265 3.158 3.414 . 0 0 "[ . 1]" 1
394 1 47 ILE HA 1 50 ALA MB . . 4.460 2.895 2.547 3.124 . 0 0 "[ . 1]" 1
395 1 47 ILE HB 1 48 GLU H . . 3.960 2.634 1.959 3.062 . 0 0 "[ . 1]" 1
396 1 47 ILE MD 1 48 GLU H . . 4.220 3.865 3.485 4.129 . 0 0 "[ . 1]" 1
397 1 47 ILE HG13 1 48 GLU H . . 5.160 4.469 4.256 4.616 . 0 0 "[ . 1]" 1
398 1 47 ILE HG13 1 49 GLU H . . 5.500 5.568 5.546 5.579 0.079 10 0 "[ . 1]" 1
399 1 47 ILE HG13 1 50 ALA H . . 5.500 5.542 5.530 5.587 0.087 6 0 "[ . 1]" 1
400 1 47 ILE MG 1 48 GLU H . . 4.870 3.423 2.861 3.774 . 0 0 "[ . 1]" 1
401 1 48 GLU H 1 48 GLU QB . . 3.200 2.255 2.083 2.543 . 0 0 "[ . 1]" 1
402 1 48 GLU H 1 48 GLU QG . . 4.230 2.867 2.070 3.954 . 0 0 "[ . 1]" 1
403 1 48 GLU H 1 49 GLU H . . 3.760 2.712 2.680 2.758 . 0 0 "[ . 1]" 1
404 1 48 GLU HA 1 51 LYS H . . 5.500 3.601 3.391 3.900 . 0 0 "[ . 1]" 1
405 1 48 GLU QB 1 51 LYS H . . 5.500 4.993 4.842 5.447 . 0 0 "[ . 1]" 1
406 1 48 GLU QG 1 49 GLU H . . 4.570 3.731 2.258 4.569 . 0 0 "[ . 1]" 1
407 1 48 GLU QG 1 51 LYS H . . 5.500 5.244 4.686 5.503 0.003 10 0 "[ . 1]" 1
408 1 49 GLU H 1 49 GLU QB . . 2.860 2.305 2.227 2.615 . 0 0 "[ . 1]" 1
409 1 49 GLU H 1 49 GLU QG . . 4.050 3.492 1.938 4.032 . 0 0 "[ . 1]" 1
410 1 49 GLU H 1 50 ALA H . . 3.590 2.478 2.459 2.489 . 0 0 "[ . 1]" 1
411 1 49 GLU H 1 50 ALA MB . . 4.520 4.124 4.036 4.181 . 0 0 "[ . 1]" 1
412 1 49 GLU H 1 51 LYS H . . 5.020 3.922 3.743 4.495 . 0 0 "[ . 1]" 1
413 1 49 GLU HA 1 50 ALA MB . . 5.240 5.011 4.998 5.023 . 0 0 "[ . 1]" 1
414 1 49 GLU QB 1 50 ALA H . . 3.500 2.697 2.566 3.383 . 0 0 "[ . 1]" 1
415 1 49 GLU QB 1 51 LYS H . . 5.500 4.615 4.461 5.129 . 0 0 "[ . 1]" 1
416 1 49 GLU QG 1 50 ALA H . . 4.640 3.666 1.990 4.213 . 0 0 "[ . 1]" 1
417 1 49 GLU QG 1 51 LYS H . . 5.500 5.106 4.464 5.502 0.002 7 0 "[ . 1]" 1
418 1 50 ALA H 1 50 ALA MB . . 2.930 2.144 2.038 2.243 . 0 0 "[ . 1]" 1
419 1 50 ALA H 1 51 LYS H . . 3.480 2.622 2.432 2.964 . 0 0 "[ . 1]" 1
420 1 50 ALA H 1 54 ILE MD . . 5.490 5.325 5.059 5.495 0.005 2 0 "[ . 1]" 1
421 1 50 ALA HA 1 54 ILE MD . . 4.700 3.875 2.862 4.559 . 0 0 "[ . 1]" 1
422 1 50 ALA MB 1 51 LYS H . . 3.800 2.847 2.169 3.123 . 0 0 "[ . 1]" 1
423 1 51 LYS H 1 51 LYS QB . . 3.520 2.240 2.125 2.454 . 0 0 "[ . 1]" 1
424 1 51 LYS H 1 51 LYS QD . . 4.060 3.586 2.370 4.048 . 0 0 "[ . 1]" 1
425 1 51 LYS H 1 52 LYS H . . 3.510 2.661 2.517 2.908 . 0 0 "[ . 1]" 1
426 1 51 LYS H 1 54 ILE MD . . 5.020 4.343 3.917 4.892 . 0 0 "[ . 1]" 1
427 1 51 LYS QB 1 52 LYS H . . 3.840 2.911 2.313 3.602 . 0 0 "[ . 1]" 1
428 1 52 LYS H 1 52 LYS QB . . 3.630 2.237 2.156 2.406 . 0 0 "[ . 1]" 1
429 1 52 LYS H 1 52 LYS QG . . 4.740 3.542 2.336 4.055 . 0 0 "[ . 1]" 1
430 1 52 LYS H 1 53 LEU H . . 3.100 2.674 2.456 2.924 . 0 0 "[ . 1]" 1
431 1 52 LYS HB2 1 53 LEU H . . 4.060 3.571 2.427 4.063 0.003 2 0 "[ . 1]" 1
432 1 52 LYS HB3 1 53 LEU H . . 4.060 3.058 2.241 4.023 . 0 0 "[ . 1]" 1
433 1 52 LYS QG 1 53 LEU H . . 5.410 3.724 2.227 4.342 . 0 0 "[ . 1]" 1
434 1 53 LEU H 1 53 LEU QB . . 3.600 2.633 2.088 3.201 . 0 0 "[ . 1]" 1
435 1 53 LEU H 1 53 LEU QD . . 4.890 3.171 2.025 3.975 . 0 0 "[ . 1]" 1
436 1 53 LEU H 1 54 ILE MD . . 5.310 3.719 2.425 5.081 . 0 0 "[ . 1]" 1
437 1 53 LEU HA 1 53 LEU QD . . 3.910 2.709 1.992 3.348 . 0 0 "[ . 1]" 1
438 1 53 LEU HA 1 54 ILE H . . 3.500 2.660 2.176 3.496 . 0 0 "[ . 1]" 1
439 1 53 LEU QB 1 54 ILE H . . 4.260 3.461 2.847 3.992 . 0 0 "[ . 1]" 1
440 1 53 LEU QD 1 54 ILE H . . 4.600 3.566 2.100 4.552 . 0 0 "[ . 1]" 1
441 1 54 ILE H 1 54 ILE HB . . 3.620 2.685 2.553 2.966 . 0 0 "[ . 1]" 1
442 1 54 ILE H 1 54 ILE MD . . 4.880 3.019 1.910 4.284 . 0 0 "[ . 1]" 1
443 1 54 ILE H 1 54 ILE QG . . 4.530 2.931 1.936 4.141 . 0 0 "[ . 1]" 1
444 1 54 ILE H 1 54 ILE MG . . 4.240 3.654 2.081 3.889 . 0 0 "[ . 1]" 1
445 1 54 ILE H 1 55 ALA H . . 4.460 3.325 2.065 4.450 . 0 0 "[ . 1]" 1
446 1 54 ILE HA 1 54 ILE MD . . 3.600 2.554 1.970 3.531 . 0 0 "[ . 1]" 1
447 1 54 ILE HA 1 55 ALA H . . 3.560 2.835 2.187 3.561 0.001 4 0 "[ . 1]" 1
448 1 54 ILE HB 1 55 ALA H . . 4.640 3.486 1.950 4.409 . 0 0 "[ . 1]" 1
449 1 54 ILE MD 1 55 ALA H . . 4.600 4.141 2.548 4.704 0.104 9 0 "[ . 1]" 1
450 1 55 ALA H 1 56 CYS H . . 5.500 3.982 1.901 4.621 . 0 0 "[ . 1]" 1
451 1 55 ALA HA 1 56 CYS H . . 3.370 2.476 2.144 3.398 0.028 7 0 "[ . 1]" 1
452 1 55 ALA MB 1 56 CYS H . . 5.050 2.978 2.147 3.696 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, June 4, 2024 4:23:14 AM GMT (wattos1)