NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371573 |
1cmf   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cmf
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 844
_Distance_constraint_stats_list.Viol_count 2546
_Distance_constraint_stats_list.Viol_total 3146.625
_Distance_constraint_stats_list.Viol_max 0.350
_Distance_constraint_stats_list.Viol_rms 0.0310
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0618
_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 LYS 0.130 0.085 6 0 "[ . 1 . 2]"
1 3 ASP 0.130 0.085 6 0 "[ . 1 . 2]"
1 4 THR 0.264 0.061 20 0 "[ . 1 . 2]"
1 5 ASP 0.088 0.063 17 0 "[ . 1 . 2]"
1 6 SER 0.465 0.061 20 0 "[ . 1 . 2]"
1 7 GLU 2.389 0.184 8 0 "[ . 1 . 2]"
1 8 GLU 2.677 0.214 4 0 "[ . 1 . 2]"
1 9 GLU 0.387 0.060 4 0 "[ . 1 . 2]"
1 10 ILE 3.178 0.153 18 0 "[ . 1 . 2]"
1 11 ARG 5.216 0.205 15 0 "[ . 1 . 2]"
1 12 GLU 3.495 0.248 17 0 "[ . 1 . 2]"
1 13 ALA 0.069 0.029 19 0 "[ . 1 . 2]"
1 14 PHE 16.590 0.298 18 0 "[ . 1 . 2]"
1 15 ARG 15.848 0.271 14 0 "[ . 1 . 2]"
1 16 VAL 8.438 0.260 3 0 "[ . 1 . 2]"
1 17 PHE 10.302 0.350 16 0 "[ . 1 . 2]"
1 18 ASP 3.480 0.212 18 0 "[ . 1 . 2]"
1 19 LYS 2.342 0.297 20 0 "[ . 1 . 2]"
1 20 ASP 1.063 0.148 7 0 "[ . 1 . 2]"
1 21 GLY 0.647 0.121 6 0 "[ . 1 . 2]"
1 22 ASN 2.410 0.212 18 0 "[ . 1 . 2]"
1 23 GLY 1.975 0.168 18 0 "[ . 1 . 2]"
1 24 TYR 6.309 0.286 16 0 "[ . 1 . 2]"
1 25 ILE 19.251 0.350 16 0 "[ . 1 . 2]"
1 26 SER 2.149 0.110 9 0 "[ . 1 . 2]"
1 27 ALA 1.012 0.102 6 0 "[ . 1 . 2]"
1 28 ALA 1.505 0.103 3 0 "[ . 1 . 2]"
1 29 GLU 6.753 0.267 9 0 "[ . 1 . 2]"
1 30 LEU 15.522 0.278 11 0 "[ . 1 . 2]"
1 31 ARG 5.635 0.248 8 0 "[ . 1 . 2]"
1 32 HIS 3.878 0.248 8 0 "[ . 1 . 2]"
1 33 VAL 6.617 0.170 5 0 "[ . 1 . 2]"
1 34 MET 6.065 0.298 18 0 "[ . 1 . 2]"
1 35 THR 3.278 0.227 20 0 "[ . 1 . 2]"
1 36 ASN 2.159 0.118 20 0 "[ . 1 . 2]"
1 37 LEU 7.593 0.300 13 0 "[ . 1 . 2]"
1 38 GLY 0.365 0.110 8 0 "[ . 1 . 2]"
1 39 GLU 2.430 0.166 19 0 "[ . 1 . 2]"
1 40 LYS 1.409 0.118 20 0 "[ . 1 . 2]"
1 41 LEU 4.998 0.326 2 0 "[ . 1 . 2]"
1 42 THR 3.654 0.326 2 0 "[ . 1 . 2]"
1 43 ASP 1.578 0.112 2 0 "[ . 1 . 2]"
1 44 GLU 1.220 0.112 2 0 "[ . 1 . 2]"
1 45 GLU 0.848 0.288 11 0 "[ . 1 . 2]"
1 46 VAL 8.352 0.172 12 0 "[ . 1 . 2]"
1 47 ASP 3.868 0.141 9 0 "[ . 1 . 2]"
1 48 GLU 0.614 0.122 19 0 "[ . 1 . 2]"
1 49 MET 0.530 0.069 10 0 "[ . 1 . 2]"
1 50 ILE 7.856 0.206 14 0 "[ . 1 . 2]"
1 51 ARG 1.617 0.123 19 0 "[ . 1 . 2]"
1 52 GLU 1.840 0.174 2 0 "[ . 1 . 2]"
1 53 ALA 4.429 0.221 17 0 "[ . 1 . 2]"
1 54 ASP 0.904 0.172 14 0 "[ . 1 . 2]"
1 55 ILE 1.414 0.150 4 0 "[ . 1 . 2]"
1 56 ASP 0.900 0.132 17 0 "[ . 1 . 2]"
1 57 GLY 1.073 0.150 4 0 "[ . 1 . 2]"
1 58 ASP 0.500 0.132 17 0 "[ . 1 . 2]"
1 59 GLY 0.837 0.104 16 0 "[ . 1 . 2]"
1 60 GLN 0.770 0.138 3 0 "[ . 1 . 2]"
1 61 VAL 8.816 0.286 16 0 "[ . 1 . 2]"
1 62 ASN 6.971 0.293 9 0 "[ . 1 . 2]"
1 63 TYR 17.484 0.312 13 0 "[ . 1 . 2]"
1 64 GLU 8.288 0.312 13 0 "[ . 1 . 2]"
1 65 GLU 1.532 0.152 16 0 "[ . 1 . 2]"
1 66 PHE 19.435 0.313 13 0 "[ . 1 . 2]"
1 67 VAL 2.384 0.169 5 0 "[ . 1 . 2]"
1 68 GLN 1.222 0.221 17 0 "[ . 1 . 2]"
1 69 MET 7.232 0.274 6 0 "[ . 1 . 2]"
1 70 MET 3.192 0.169 14 0 "[ . 1 . 2]"
1 71 THR 0.780 0.139 5 0 "[ . 1 . 2]"
1 72 ALA 1.222 0.139 5 0 "[ . 1 . 2]"
1 73 LYS 0.003 0.003 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS HA 1 3 ASP H 2.930 . 3.230 2.630 2.190 3.315 0.085 6 0 "[ . 1 . 2]" 1
2 1 2 LYS QB 1 3 ASP H 5.000 . 5.500 3.410 1.845 4.061 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS QG 1 3 ASP H 4.040 . 4.450 3.732 2.665 4.440 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASP H 1 4 THR H 5.000 . 5.500 3.517 1.993 4.702 . 0 0 "[ . 1 . 2]" 1
5 1 3 ASP HA 1 4 THR H 5.000 . 5.500 3.054 2.191 3.585 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP QB 1 4 THR H 4.030 . 4.440 2.697 1.857 4.049 . 0 0 "[ . 1 . 2]" 1
7 1 4 THR H 1 4 THR HA 2.990 . 3.290 2.830 2.346 2.996 . 0 0 "[ . 1 . 2]" 1
8 1 4 THR H 1 4 THR MG 3.320 . 3.960 3.643 2.053 3.974 0.014 5 0 "[ . 1 . 2]" 1
9 1 4 THR HA 1 5 ASP H 2.770 . 3.050 2.601 2.200 3.059 0.009 20 0 "[ . 1 . 2]" 1
10 1 4 THR HA 1 7 GLU H 5.000 . 5.500 4.119 3.557 4.643 . 0 0 "[ . 1 . 2]" 1
11 1 4 THR HA 1 7 GLU QB 5.000 . 5.500 4.795 3.114 5.550 0.050 5 0 "[ . 1 . 2]" 1
12 1 4 THR MG 1 5 ASP H 3.490 . 4.140 3.365 1.902 4.093 . 0 0 "[ . 1 . 2]" 1
13 1 4 THR MG 1 6 SER HA 5.000 . 5.800 5.495 4.524 5.861 0.061 20 0 "[ . 1 . 2]" 1
14 1 4 THR MG 1 7 GLU H 5.000 . 5.800 3.353 2.230 5.759 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP H 1 5 ASP QB 2.650 . 2.920 2.529 2.239 2.983 0.063 17 0 "[ . 1 . 2]" 1
16 1 5 ASP H 1 6 SER QB 5.000 . 5.500 4.369 3.471 5.217 . 0 0 "[ . 1 . 2]" 1
17 1 5 ASP QB 1 6 SER H 5.000 . 5.500 3.586 1.858 4.075 . 0 0 "[ . 1 . 2]" 1
18 1 6 SER H 1 7 GLU H 5.000 . 5.500 2.190 1.861 2.847 . 0 0 "[ . 1 . 2]" 1
19 1 6 SER HA 1 7 GLU H 3.510 . 3.870 3.498 3.279 3.595 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER HA 1 8 GLU QB 5.000 . 5.500 4.519 3.895 5.410 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER HA 1 9 GLU QB 5.000 . 5.500 5.442 4.394 5.560 0.060 4 0 "[ . 1 . 2]" 1
22 1 6 SER QB 1 7 GLU H 3.730 . 4.110 2.811 1.954 3.453 . 0 0 "[ . 1 . 2]" 1
23 1 6 SER QB 1 7 GLU QG 3.060 . 3.370 2.948 2.317 3.365 . 0 0 "[ . 1 . 2]" 1
24 1 6 SER QB 1 10 ILE MD 5.000 . 5.800 3.505 2.920 4.275 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU H 1 7 GLU QG 3.530 . 3.890 2.044 1.854 2.667 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU H 1 8 GLU H 3.520 . 3.880 2.619 2.355 2.825 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU H 1 9 GLU H 5.000 . 5.500 4.767 4.495 5.240 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU HA 1 7 GLU QG 2.790 . 3.080 2.603 2.318 2.808 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLU HA 1 8 GLU H 5.000 . 5.500 3.232 3.039 3.357 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU HA 1 10 ILE H 5.000 . 5.500 2.669 2.366 3.009 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLU HA 1 10 ILE MD 5.000 . 5.800 1.881 1.755 2.123 0.045 5 0 "[ . 1 . 2]" 1
32 1 7 GLU HA 1 10 ILE MG 5.000 . 5.800 3.700 3.356 4.695 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLU QB 1 10 ILE MD 5.000 . 5.800 3.049 2.081 3.798 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU QB 1 63 TYR QE 5.000 . 5.500 5.564 5.443 5.684 0.184 8 0 "[ . 1 . 2]" 1
35 1 7 GLU QB 1 67 VAL HA 5.000 . 5.500 5.514 5.222 5.589 0.089 5 0 "[ . 1 . 2]" 1
36 1 7 GLU QB 1 67 VAL MG2 5.000 . 5.800 4.471 4.019 5.339 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU QG 1 10 ILE MD 3.600 . 4.260 2.731 2.061 3.730 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU QG 1 67 VAL QG 5.000 . 5.800 2.667 1.990 3.102 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLU QG 1 67 VAL MG2 5.000 . 5.800 2.982 2.198 3.729 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU QG 1 71 THR MG 5.000 . 5.800 5.495 4.864 5.844 0.044 8 0 "[ . 1 . 2]" 1
41 1 8 GLU H 1 8 GLU HA 2.900 . 3.200 2.832 2.755 2.911 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLU H 1 8 GLU QB 2.420 . 2.670 2.355 2.142 2.706 0.036 14 0 "[ . 1 . 2]" 1
43 1 8 GLU H 1 8 GLU QG 2.790 . 3.080 2.464 1.838 3.003 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLU H 1 9 GLU H 5.000 . 5.500 2.687 2.480 2.869 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLU HA 1 8 GLU QG 2.770 . 3.050 2.955 2.012 3.264 0.214 4 0 "[ . 1 . 2]" 1
46 1 8 GLU HA 1 11 ARG H 5.000 . 5.500 4.472 4.049 4.788 . 0 0 "[ . 1 . 2]" 1
47 1 9 GLU H 1 11 ARG H 5.000 . 5.500 4.273 3.764 4.683 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLU HA 1 9 GLU QB 2.460 . 2.710 2.429 2.194 2.551 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLU HA 1 10 ILE H 5.000 . 5.500 3.501 3.414 3.586 . 0 0 "[ . 1 . 2]" 1
50 1 9 GLU HA 1 12 GLU H 5.000 . 5.500 3.733 3.231 4.237 . 0 0 "[ . 1 . 2]" 1
51 1 9 GLU QB 1 10 ILE HA 5.000 . 5.500 4.058 3.778 4.696 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLU QB 1 13 ALA H 5.000 . 5.500 5.057 4.537 5.460 . 0 0 "[ . 1 . 2]" 1
53 1 9 GLU QG 1 10 ILE QG 5.000 . 5.500 4.509 2.237 5.454 . 0 0 "[ . 1 . 2]" 1
54 1 9 GLU QG 1 13 ALA MB 5.000 . 5.800 4.333 2.946 5.823 0.023 14 0 "[ . 1 . 2]" 1
55 1 10 ILE H 1 10 ILE HB 2.550 . 2.810 2.444 2.288 2.642 . 0 0 "[ . 1 . 2]" 1
56 1 10 ILE H 1 10 ILE MD 5.000 . 5.800 2.685 1.825 3.767 . 0 0 "[ . 1 . 2]" 1
57 1 10 ILE H 1 10 ILE QG 2.760 . 3.040 2.548 1.881 3.087 0.047 1 0 "[ . 1 . 2]" 1
58 1 10 ILE HA 1 10 ILE MD 3.310 . 3.950 3.609 3.177 3.852 . 0 0 "[ . 1 . 2]" 1
59 1 10 ILE HA 1 10 ILE QG 2.450 . 2.710 2.293 2.116 2.514 . 0 0 "[ . 1 . 2]" 1
60 1 10 ILE HA 1 10 ILE MG 2.850 . 3.440 2.411 2.276 2.576 . 0 0 "[ . 1 . 2]" 1
61 1 10 ILE HA 1 11 ARG H 5.000 . 5.500 3.576 3.466 3.595 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE HA 1 13 ALA H 3.480 . 3.830 3.370 2.993 3.859 0.029 19 0 "[ . 1 . 2]" 1
63 1 10 ILE HA 1 13 ALA MB 3.450 . 4.110 2.961 2.508 3.926 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE HA 1 66 PHE HZ 5.000 . 5.500 5.499 4.904 5.611 0.111 12 0 "[ . 1 . 2]" 1
65 1 10 ILE HB 1 63 TYR HB3 5.000 . 5.500 4.717 3.781 5.651 0.151 14 0 "[ . 1 . 2]" 1
66 1 10 ILE MD 1 37 LEU QD 5.000 . 6.100 4.598 3.064 6.109 0.009 4 0 "[ . 1 . 2]" 1
67 1 10 ILE MD 1 70 MET ME 5.000 . 5.800 3.084 1.798 4.807 0.002 8 0 "[ . 1 . 2]" 1
68 1 10 ILE MD 1 70 MET QG 5.000 . 5.800 2.873 1.814 4.037 . 0 0 "[ . 1 . 2]" 1
69 1 10 ILE MD 1 71 THR MG 5.000 . 6.100 3.852 3.341 5.076 . 0 0 "[ . 1 . 2]" 1
70 1 10 ILE QG 1 70 MET QG 3.470 . 3.820 2.736 1.795 3.906 0.086 18 0 "[ . 1 . 2]" 1
71 1 10 ILE MG 1 11 ARG HA 5.000 . 5.800 3.215 2.836 3.576 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE MG 1 12 GLU H 3.960 . 4.660 4.666 4.444 4.813 0.153 18 0 "[ . 1 . 2]" 1
73 1 10 ILE MG 1 14 PHE QD 5.000 . 6.100 3.674 3.396 4.043 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE MG 1 37 LEU HG 5.000 . 5.800 5.039 3.036 5.846 0.046 17 0 "[ . 1 . 2]" 1
75 1 10 ILE MG 1 63 TYR HB3 5.000 . 5.800 3.560 2.613 4.615 . 0 0 "[ . 1 . 2]" 1
76 1 10 ILE MG 1 63 TYR QD 4.000 . 4.710 3.573 2.848 4.194 . 0 0 "[ . 1 . 2]" 1
77 1 10 ILE MG 1 63 TYR QE 3.890 . 4.590 4.410 3.607 4.669 0.079 6 0 "[ . 1 . 2]" 1
78 1 10 ILE MG 1 66 PHE HZ 5.000 . 5.800 4.042 3.045 4.633 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE MG 1 67 VAL H 5.000 . 5.800 3.855 3.120 5.202 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE MG 1 68 GLN H 5.000 . 5.800 5.439 4.939 5.924 0.124 14 0 "[ . 1 . 2]" 1
81 1 10 ILE MG 1 70 MET H 5.000 . 5.800 5.046 3.930 5.886 0.086 15 0 "[ . 1 . 2]" 1
82 1 10 ILE MG 1 70 MET QB 5.000 . 5.800 4.221 3.174 5.050 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE MG 1 70 MET QG 5.000 . 5.800 3.242 1.834 4.209 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE MG 1 71 THR MG 5.000 . 6.100 5.618 5.145 6.106 0.006 9 0 "[ . 1 . 2]" 1
85 1 11 ARG H 1 11 ARG QG 3.080 . 3.390 3.361 2.743 3.595 0.205 15 0 "[ . 1 . 2]" 1
86 1 11 ARG H 1 13 ALA H 5.000 . 5.500 4.422 4.040 4.707 . 0 0 "[ . 1 . 2]" 1
87 1 11 ARG H 1 13 ALA MB 5.000 . 5.800 5.322 5.014 5.669 . 0 0 "[ . 1 . 2]" 1
88 1 11 ARG HA 1 14 PHE H 5.000 . 5.500 4.712 3.292 5.162 . 0 0 "[ . 1 . 2]" 1
89 1 11 ARG HA 1 14 PHE QB 5.000 . 5.500 2.883 2.129 3.446 . 0 0 "[ . 1 . 2]" 1
90 1 11 ARG HA 1 63 TYR QD 5.000 . 5.500 2.698 1.776 3.665 0.024 7 0 "[ . 1 . 2]" 1
91 1 11 ARG HA 1 63 TYR QE 5.000 . 5.500 2.415 1.792 3.772 0.008 5 0 "[ . 1 . 2]" 1
92 1 11 ARG HA 1 66 PHE QE 5.000 . 5.500 5.316 4.576 5.671 0.171 6 0 "[ . 1 . 2]" 1
93 1 11 ARG QB 1 11 ARG QD 2.750 . 3.040 2.253 2.106 2.609 . 0 0 "[ . 1 . 2]" 1
94 1 11 ARG QB 1 12 GLU H 5.000 . 5.500 2.930 2.187 3.625 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG QB 1 15 ARG HE 4.290 . 4.720 4.688 4.021 4.901 0.181 17 0 "[ . 1 . 2]" 1
96 1 11 ARG QB 1 63 TYR HB2 5.000 . 5.500 5.134 4.348 5.670 0.170 7 0 "[ . 1 . 2]" 1
97 1 11 ARG QD 1 15 ARG HA 3.350 . 3.700 3.684 3.291 3.868 0.168 1 0 "[ . 1 . 2]" 1
98 1 11 ARG QD 1 15 ARG QG 3.490 . 3.840 3.636 3.239 3.883 0.043 9 0 "[ . 1 . 2]" 1
99 1 11 ARG QD 1 16 VAL H 5.000 . 5.800 5.521 4.996 5.788 . 0 0 "[ . 1 . 2]" 1
100 1 11 ARG QD 1 18 ASP QB 5.000 . 5.800 4.949 3.560 5.818 0.018 1 0 "[ . 1 . 2]" 1
101 1 11 ARG QG 1 63 TYR QD 3.710 . 4.080 3.060 1.795 4.275 0.195 13 0 "[ . 1 . 2]" 1
102 1 11 ARG QG 1 63 TYR QE 5.000 . 5.500 3.134 1.816 4.022 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU H 1 12 GLU HA 2.850 . 3.140 2.876 2.804 2.960 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU H 1 12 GLU QB 2.630 . 2.900 2.324 2.224 2.733 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU H 1 12 GLU QG 3.550 . 3.910 3.640 1.825 3.982 0.072 4 0 "[ . 1 . 2]" 1
106 1 12 GLU H 1 13 ALA H 5.000 . 5.500 2.658 2.393 2.905 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLU H 1 13 ALA MB 5.000 . 5.800 4.403 4.157 4.660 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLU H 1 14 PHE H 5.000 . 5.500 4.841 3.472 5.266 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLU H 1 15 ARG QB 5.000 . 5.500 4.711 4.352 4.925 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLU HA 1 13 ALA H 5.000 . 5.500 3.562 3.509 3.589 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLU HA 1 15 ARG H 4.190 . 4.610 3.526 3.253 3.670 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLU HA 1 15 ARG QB 2.840 . 3.130 3.158 2.680 3.277 0.147 19 0 "[ . 1 . 2]" 1
113 1 12 GLU HA 1 15 ARG QD 3.310 . 3.650 2.796 1.856 3.651 0.001 7 0 "[ . 1 . 2]" 1
114 1 12 GLU HA 1 15 ARG HE 5.000 . 5.500 2.855 1.753 3.925 0.047 17 0 "[ . 1 . 2]" 1
115 1 12 GLU HA 1 15 ARG QG 2.630 . 2.900 2.521 1.865 3.148 0.248 17 0 "[ . 1 . 2]" 1
116 1 12 GLU HA 1 16 VAL H 5.000 . 5.500 5.087 4.605 5.433 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLU QG 1 13 ALA H 3.140 . 3.460 3.136 1.853 3.466 0.006 17 0 "[ . 1 . 2]" 1
118 1 13 ALA H 1 13 ALA HA 2.830 . 3.120 2.952 2.943 2.968 . 0 0 "[ . 1 . 2]" 1
119 1 13 ALA H 1 13 ALA MB 2.560 . 3.120 2.200 2.105 2.325 . 0 0 "[ . 1 . 2]" 1
120 1 13 ALA H 1 14 PHE QB 5.000 . 5.500 3.982 3.825 4.150 . 0 0 "[ . 1 . 2]" 1
121 1 13 ALA H 1 15 ARG H 5.000 . 5.500 4.243 3.955 4.388 . 0 0 "[ . 1 . 2]" 1
122 1 13 ALA HA 1 16 VAL H 5.000 . 5.500 4.460 3.546 5.191 . 0 0 "[ . 1 . 2]" 1
123 1 13 ALA MB 1 14 PHE HA 5.000 . 5.800 4.437 4.158 4.521 . 0 0 "[ . 1 . 2]" 1
124 1 13 ALA MB 1 33 VAL HA 5.000 . 5.800 4.345 2.881 5.533 . 0 0 "[ . 1 . 2]" 1
125 1 13 ALA MB 1 33 VAL QG 3.190 . 4.110 2.515 1.797 3.629 0.003 14 0 "[ . 1 . 2]" 1
126 1 13 ALA MB 1 66 PHE HZ 5.000 . 5.800 4.444 3.406 5.578 . 0 0 "[ . 1 . 2]" 1
127 1 14 PHE H 1 14 PHE HA 2.940 . 3.240 2.819 2.776 2.987 . 0 0 "[ . 1 . 2]" 1
128 1 14 PHE H 1 14 PHE QB 3.400 . 3.750 2.983 2.456 3.101 . 0 0 "[ . 1 . 2]" 1
129 1 14 PHE H 1 15 ARG H 5.000 . 5.500 1.737 1.642 1.802 0.158 16 0 "[ . 1 . 2]" 1
130 1 14 PHE H 1 15 ARG HA 3.860 . 4.250 4.389 4.325 4.521 0.271 14 0 "[ . 1 . 2]" 1
131 1 14 PHE H 1 15 ARG QB 3.590 . 3.950 3.919 3.713 4.039 0.089 16 0 "[ . 1 . 2]" 1
132 1 14 PHE H 1 16 VAL HB 4.030 . 4.440 4.285 3.695 4.700 0.260 3 0 "[ . 1 . 2]" 1
133 1 14 PHE H 1 33 VAL QG 3.520 . 4.180 3.170 2.776 3.728 . 0 0 "[ . 1 . 2]" 1
134 1 14 PHE HA 1 14 PHE QE 5.000 . 5.500 4.070 3.938 4.311 . 0 0 "[ . 1 . 2]" 1
135 1 14 PHE HA 1 15 ARG H 4.100 . 4.520 3.463 3.359 3.503 . 0 0 "[ . 1 . 2]" 1
136 1 14 PHE HA 1 17 PHE H 5.000 . 5.500 3.945 3.715 4.283 . 0 0 "[ . 1 . 2]" 1
137 1 14 PHE HA 1 17 PHE QD 2.760 . 3.040 2.979 2.313 3.198 0.158 17 0 "[ . 1 . 2]" 1
138 1 14 PHE HA 1 25 ILE MD 5.000 . 5.800 3.516 2.712 5.714 . 0 0 "[ . 1 . 2]" 1
139 1 14 PHE HA 1 33 VAL HB 3.700 . 4.070 3.880 3.288 4.181 0.111 19 0 "[ . 1 . 2]" 1
140 1 14 PHE HA 1 33 VAL QG 3.060 . 3.670 1.920 1.768 2.189 0.032 14 0 "[ . 1 . 2]" 1
141 1 14 PHE HA 1 66 PHE QE 3.900 . 4.290 3.969 3.629 4.329 0.039 9 0 "[ . 1 . 2]" 1
142 1 14 PHE QB 1 15 ARG H 3.860 . 4.250 2.993 2.773 3.344 . 0 0 "[ . 1 . 2]" 1
143 1 14 PHE QB 1 15 ARG HA 5.000 . 5.500 3.920 3.821 4.106 . 0 0 "[ . 1 . 2]" 1
144 1 14 PHE QB 1 63 TYR HA 5.000 . 5.500 4.500 4.191 4.832 . 0 0 "[ . 1 . 2]" 1
145 1 14 PHE QB 1 63 TYR HB3 5.000 . 5.500 5.084 4.720 5.455 . 0 0 "[ . 1 . 2]" 1
146 1 14 PHE QB 1 63 TYR QD 5.000 . 5.500 3.527 2.982 3.914 . 0 0 "[ . 1 . 2]" 1
147 1 14 PHE QB 1 63 TYR QE 5.000 . 5.500 2.515 1.960 3.244 . 0 0 "[ . 1 . 2]" 1
148 1 14 PHE QB 1 66 PHE QB 5.000 . 5.500 4.412 4.045 5.012 . 0 0 "[ . 1 . 2]" 1
149 1 14 PHE QD 1 17 PHE HB2 5.000 . 5.500 4.825 2.424 5.226 . 0 0 "[ . 1 . 2]" 1
150 1 14 PHE QD 1 24 TYR HA 5.000 . 5.500 5.433 5.000 5.651 0.151 15 0 "[ . 1 . 2]" 1
151 1 14 PHE QD 1 25 ILE HB 5.000 . 5.500 5.534 5.095 5.720 0.220 18 0 "[ . 1 . 2]" 1
152 1 14 PHE QD 1 25 ILE QG 3.150 . 3.470 3.490 2.841 3.661 0.191 17 0 "[ . 1 . 2]" 1
153 1 14 PHE QD 1 29 GLU QB 5.000 . 5.800 4.358 4.056 4.704 . 0 0 "[ . 1 . 2]" 1
154 1 14 PHE QD 1 30 LEU QD 5.000 . 6.100 4.113 3.691 4.489 . 0 0 "[ . 1 . 2]" 1
155 1 14 PHE QD 1 33 VAL QG 5.000 . 5.800 1.780 1.658 2.112 0.142 13 0 "[ . 1 . 2]" 1
156 1 14 PHE QD 1 34 MET QG 5.000 . 5.500 5.452 4.892 5.798 0.298 18 0 "[ . 1 . 2]" 1
157 1 14 PHE QD 1 63 TYR H 4.940 . 5.450 4.066 2.675 5.524 0.074 3 0 "[ . 1 . 2]" 1
158 1 14 PHE QD 1 70 MET ME 5.000 . 5.500 5.052 3.862 5.579 0.079 13 0 "[ . 1 . 2]" 1
159 1 14 PHE QE 1 17 PHE HB2 5.000 . 5.500 5.155 2.325 5.623 0.123 13 0 "[ . 1 . 2]" 1
160 1 14 PHE QE 1 18 ASP QB 5.000 . 5.500 5.473 4.938 5.709 0.209 15 0 "[ . 1 . 2]" 1
161 1 14 PHE QE 1 25 ILE HB 5.000 . 5.500 4.363 2.906 4.931 . 0 0 "[ . 1 . 2]" 1
162 1 14 PHE QE 1 25 ILE MD 3.080 . 3.690 2.269 1.909 2.519 . 0 0 "[ . 1 . 2]" 1
163 1 14 PHE QE 1 25 ILE QG 5.000 . 5.500 2.489 1.832 3.137 . 0 0 "[ . 1 . 2]" 1
164 1 14 PHE QE 1 25 ILE MG 5.000 . 5.800 4.171 1.826 4.868 . 0 0 "[ . 1 . 2]" 1
165 1 14 PHE QE 1 29 GLU QB 2.820 . 3.110 3.166 2.422 3.377 0.267 9 0 "[ . 1 . 2]" 1
166 1 14 PHE QE 1 30 LEU HA 3.550 . 3.910 1.859 1.743 2.084 0.057 18 0 "[ . 1 . 2]" 1
167 1 14 PHE QE 1 30 LEU QD 5.000 . 5.800 2.758 2.321 3.697 . 0 0 "[ . 1 . 2]" 1
168 1 14 PHE QE 1 30 LEU HG 5.000 . 5.500 2.471 1.959 2.999 . 0 0 "[ . 1 . 2]" 1
169 1 14 PHE QE 1 33 VAL HB 5.000 . 5.500 2.786 1.805 4.144 . 0 0 "[ . 1 . 2]" 1
170 1 14 PHE QE 1 33 VAL QG 5.000 . 5.800 2.130 1.730 2.748 0.070 15 0 "[ . 1 . 2]" 1
171 1 14 PHE QE 1 34 MET QG 5.000 . 5.500 5.082 4.455 5.533 0.033 6 0 "[ . 1 . 2]" 1
172 1 14 PHE QE 1 61 VAL QG 5.000 . 5.800 2.792 1.690 4.799 0.110 10 0 "[ . 1 . 2]" 1
173 1 14 PHE QE 1 63 TYR QD 5.000 . 5.500 3.451 2.585 5.310 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE QE 1 66 PHE QB 5.000 . 5.500 2.648 1.876 5.199 . 0 0 "[ . 1 . 2]" 1
175 1 15 ARG H 1 15 ARG QB 2.890 . 3.190 2.423 2.197 2.634 . 0 0 "[ . 1 . 2]" 1
176 1 15 ARG H 1 15 ARG QD 3.810 . 4.200 3.707 1.824 4.227 0.027 5 0 "[ . 1 . 2]" 1
177 1 15 ARG H 1 16 VAL H 3.110 . 3.430 2.431 2.112 2.528 . 0 0 "[ . 1 . 2]" 1
178 1 15 ARG H 1 16 VAL HA 4.390 . 4.840 4.986 4.756 5.055 0.215 9 0 "[ . 1 . 2]" 1
179 1 15 ARG H 1 17 PHE H 5.000 . 5.500 4.301 4.065 4.494 . 0 0 "[ . 1 . 2]" 1
180 1 15 ARG H 1 63 TYR QE 5.000 . 5.500 3.915 2.932 4.890 . 0 0 "[ . 1 . 2]" 1
181 1 15 ARG HA 1 15 ARG QB 2.480 . 2.730 2.198 2.166 2.210 . 0 0 "[ . 1 . 2]" 1
182 1 15 ARG HA 1 15 ARG HE 5.000 . 5.500 4.674 4.170 5.614 0.114 6 0 "[ . 1 . 2]" 1
183 1 15 ARG HA 1 16 VAL H 3.050 . 3.360 3.398 3.324 3.444 0.084 13 0 "[ . 1 . 2]" 1
184 1 15 ARG HA 1 17 PHE H 3.180 . 3.500 3.462 3.184 3.621 0.121 16 0 "[ . 1 . 2]" 1
185 1 15 ARG HA 1 18 ASP H 2.950 . 3.250 2.938 2.661 3.275 0.025 5 0 "[ . 1 . 2]" 1
186 1 15 ARG HA 1 18 ASP HA 5.000 . 5.500 4.852 4.459 5.303 . 0 0 "[ . 1 . 2]" 1
187 1 15 ARG HA 1 18 ASP QB 5.000 . 5.500 3.015 1.868 4.133 . 0 0 "[ . 1 . 2]" 1
188 1 15 ARG HA 1 25 ILE MG 5.000 . 5.800 5.124 4.272 5.818 0.018 16 0 "[ . 1 . 2]" 1
189 1 15 ARG HA 1 63 TYR QD 5.000 . 5.500 5.471 5.113 5.632 0.132 20 0 "[ . 1 . 2]" 1
190 1 15 ARG HA 1 63 TYR QE 3.530 . 3.890 3.471 2.855 3.658 . 0 0 "[ . 1 . 2]" 1
191 1 15 ARG QB 1 16 VAL H 5.000 . 5.500 3.589 3.407 3.784 . 0 0 "[ . 1 . 2]" 1
192 1 15 ARG QB 1 16 VAL QG 3.540 . 4.200 4.276 4.082 4.381 0.181 3 0 "[ . 1 . 2]" 1
193 1 15 ARG QB 1 63 TYR QD 5.000 . 5.500 5.248 4.775 5.537 0.037 16 0 "[ . 1 . 2]" 1
194 1 15 ARG QB 1 63 TYR QE 5.000 . 5.500 3.387 2.912 4.131 . 0 0 "[ . 1 . 2]" 1
195 1 15 ARG QG 1 17 PHE H 4.090 . 4.500 4.352 4.133 4.606 0.106 6 0 "[ . 1 . 2]" 1
196 1 16 VAL H 1 16 VAL HB 2.740 . 3.020 2.546 2.247 2.914 . 0 0 "[ . 1 . 2]" 1
197 1 16 VAL H 1 16 VAL QG 2.840 . 3.440 2.006 1.817 2.279 . 0 0 "[ . 1 . 2]" 1
198 1 16 VAL H 1 17 PHE H 5.000 . 5.500 2.764 2.453 2.974 . 0 0 "[ . 1 . 2]" 1
199 1 16 VAL H 1 18 ASP H 5.000 . 5.500 4.361 3.972 4.925 . 0 0 "[ . 1 . 2]" 1
200 1 16 VAL HA 1 16 VAL HB 2.940 . 3.240 3.025 2.984 3.035 . 0 0 "[ . 1 . 2]" 1
201 1 16 VAL HA 1 16 VAL QG 2.430 . 2.980 2.082 1.941 2.118 . 0 0 "[ . 1 . 2]" 1
202 1 16 VAL HA 1 17 PHE H 3.580 . 3.940 3.478 3.358 3.532 . 0 0 "[ . 1 . 2]" 1
203 1 16 VAL HA 1 18 ASP H 5.000 . 5.500 5.119 4.733 5.507 0.007 17 0 "[ . 1 . 2]" 1
204 1 16 VAL HB 1 17 PHE H 3.080 . 3.390 2.920 2.688 3.371 . 0 0 "[ . 1 . 2]" 1
205 1 16 VAL HB 1 17 PHE HA 5.000 . 5.500 4.578 4.223 4.852 . 0 0 "[ . 1 . 2]" 1
206 1 16 VAL HB 1 17 PHE HB2 5.000 . 5.500 4.661 4.486 5.050 . 0 0 "[ . 1 . 2]" 1
207 1 16 VAL HB 1 17 PHE QD 3.000 . 3.310 2.876 2.191 3.364 0.054 20 0 "[ . 1 . 2]" 1
208 1 16 VAL HB 1 25 ILE MG 5.000 . 5.800 5.775 5.485 5.908 0.108 6 0 "[ . 1 . 2]" 1
209 1 16 VAL HB 1 32 HIS HD2 5.000 . 5.500 5.496 5.194 5.550 0.050 8 0 "[ . 1 . 2]" 1
210 1 16 VAL QG 1 17 PHE H 3.170 . 3.790 3.347 3.048 3.527 . 0 0 "[ . 1 . 2]" 1
211 1 16 VAL QG 1 17 PHE HA 5.000 . 5.800 3.678 3.299 4.264 . 0 0 "[ . 1 . 2]" 1
212 1 16 VAL QG 1 17 PHE QD 2.700 . 3.270 3.310 2.985 3.401 0.131 17 0 "[ . 1 . 2]" 1
213 1 16 VAL QG 1 17 PHE QE 5.000 . 5.800 3.102 2.839 3.426 . 0 0 "[ . 1 . 2]" 1
214 1 16 VAL QG 1 33 VAL HA 5.000 . 5.800 4.941 4.401 5.443 . 0 0 "[ . 1 . 2]" 1
215 1 16 VAL QG 1 33 VAL QG . . 4.950 3.147 2.727 3.635 . 0 0 "[ . 1 . 2]" 1
216 1 17 PHE H 1 17 PHE HA 3.000 . 3.310 2.975 2.912 2.988 . 0 0 "[ . 1 . 2]" 1
217 1 17 PHE H 1 17 PHE HB2 2.870 . 3.160 2.510 2.335 2.618 . 0 0 "[ . 1 . 2]" 1
218 1 17 PHE H 1 17 PHE HB3 3.320 . 3.660 3.686 3.571 3.741 0.081 6 0 "[ . 1 . 2]" 1
219 1 17 PHE H 1 18 ASP H 3.150 . 3.470 2.238 1.987 2.619 . 0 0 "[ . 1 . 2]" 1
220 1 17 PHE H 1 18 ASP QB 5.000 . 5.500 4.257 3.829 4.895 . 0 0 "[ . 1 . 2]" 1
221 1 17 PHE H 1 29 GLU QB 5.000 . 5.500 5.543 5.242 5.720 0.220 8 0 "[ . 1 . 2]" 1
222 1 17 PHE H 1 33 VAL QG 5.000 . 5.800 4.205 3.929 4.581 . 0 0 "[ . 1 . 2]" 1
223 1 17 PHE HA 1 17 PHE HB3 2.790 . 3.080 2.457 2.399 2.535 . 0 0 "[ . 1 . 2]" 1
224 1 17 PHE HA 1 17 PHE QD 2.530 . 2.790 2.772 2.399 3.071 0.281 8 0 "[ . 1 . 2]" 1
225 1 17 PHE HA 1 18 ASP H 5.000 . 5.500 3.567 3.507 3.607 . 0 0 "[ . 1 . 2]" 1
226 1 17 PHE HA 1 19 LYS QG 5.000 . 5.500 3.931 3.336 4.760 . 0 0 "[ . 1 . 2]" 1
227 1 17 PHE HA 1 25 ILE MD 5.000 . 5.800 5.068 4.599 6.150 0.350 16 0 "[ . 1 . 2]" 1
228 1 17 PHE QB 1 25 ILE MD 5.000 . 5.800 2.379 1.833 3.831 . 0 0 "[ . 1 . 2]" 1
229 1 17 PHE QB 1 26 SER H 5.000 . 5.500 4.808 4.117 5.493 . 0 0 "[ . 1 . 2]" 1
230 1 17 PHE HB2 1 19 LYS QG 5.000 . 5.500 5.457 5.181 5.617 0.117 19 0 "[ . 1 . 2]" 1
231 1 17 PHE HB2 1 25 ILE HB 5.000 . 5.500 3.893 3.370 4.702 . 0 0 "[ . 1 . 2]" 1
232 1 17 PHE HB2 1 25 ILE MG 5.000 . 5.800 1.921 1.793 2.305 0.007 13 0 "[ . 1 . 2]" 1
233 1 17 PHE HB2 1 29 GLU QB 5.000 . 5.500 3.727 3.207 4.128 . 0 0 "[ . 1 . 2]" 1
234 1 17 PHE HB3 1 17 PHE QD 2.550 . 2.810 2.430 2.305 2.552 . 0 0 "[ . 1 . 2]" 1
235 1 17 PHE HB3 1 18 ASP H 3.400 . 3.750 3.575 3.181 3.821 0.071 13 0 "[ . 1 . 2]" 1
236 1 17 PHE HB3 1 25 ILE HB 5.000 . 5.500 3.905 2.819 4.545 . 0 0 "[ . 1 . 2]" 1
237 1 17 PHE HB3 1 25 ILE MD 5.000 . 5.800 3.505 3.085 4.412 . 0 0 "[ . 1 . 2]" 1
238 1 17 PHE HB3 1 25 ILE MG 5.000 . 5.800 1.919 1.700 2.182 0.100 16 0 "[ . 1 . 2]" 1
239 1 17 PHE QD 1 18 ASP H 5.000 . 5.500 3.875 3.550 4.316 . 0 0 "[ . 1 . 2]" 1
240 1 17 PHE QD 1 19 LYS H 5.000 . 5.800 5.786 5.466 6.097 0.297 20 0 "[ . 1 . 2]" 1
241 1 17 PHE QD 1 25 ILE HB 5.000 . 5.500 4.560 3.818 4.940 . 0 0 "[ . 1 . 2]" 1
242 1 17 PHE QD 1 25 ILE MD 3.450 . 4.110 3.024 2.101 4.222 0.112 19 0 "[ . 1 . 2]" 1
243 1 17 PHE QD 1 29 GLU QB 5.000 . 5.500 3.485 2.906 4.058 . 0 0 "[ . 1 . 2]" 1
244 1 17 PHE QE 1 25 ILE MG 5.000 . 5.800 4.795 3.648 5.340 . 0 0 "[ . 1 . 2]" 1
245 1 17 PHE QE 1 32 HIS QB 3.000 . 3.310 3.271 2.922 3.391 0.081 8 0 "[ . 1 . 2]" 1
246 1 17 PHE QE 1 33 VAL HB 5.000 . 5.500 4.490 3.238 5.175 . 0 0 "[ . 1 . 2]" 1
247 1 17 PHE QE 1 33 VAL QG 5.000 . 5.800 1.822 1.711 2.360 0.089 3 0 "[ . 1 . 2]" 1
248 1 17 PHE HZ 1 32 HIS QB 3.750 . 4.140 2.721 1.941 3.270 . 0 0 "[ . 1 . 2]" 1
249 1 17 PHE HZ 1 33 VAL H 5.000 . 5.500 4.936 3.317 5.526 0.026 6 0 "[ . 1 . 2]" 1
250 1 17 PHE HZ 1 36 ASN HD22 5.000 . 5.800 5.532 4.689 5.868 0.068 11 0 "[ . 1 . 2]" 1
251 1 18 ASP H 1 18 ASP QB . . 3.050 2.363 2.169 3.057 0.007 18 0 "[ . 1 . 2]" 1
252 1 18 ASP H 1 22 ASN H 5.000 . 5.500 5.580 5.525 5.712 0.212 18 0 "[ . 1 . 2]" 1
253 1 18 ASP H 1 23 GLY H 5.000 . 5.500 5.163 4.358 5.519 0.019 15 0 "[ . 1 . 2]" 1
254 1 18 ASP H 1 25 ILE MG 5.000 . 5.800 2.963 2.157 3.973 . 0 0 "[ . 1 . 2]" 1
255 1 18 ASP HA 1 19 LYS H 3.380 . 3.720 2.662 2.260 3.023 . 0 0 "[ . 1 . 2]" 1
256 1 18 ASP HA 1 19 LYS QB 5.000 . 5.500 4.699 4.360 5.245 . 0 0 "[ . 1 . 2]" 1
257 1 18 ASP HA 1 21 GLY H 5.000 . 5.500 3.392 2.498 4.464 . 0 0 "[ . 1 . 2]" 1
258 1 18 ASP HA 1 25 ILE MG 5.000 . 5.800 3.468 1.787 4.425 0.013 15 0 "[ . 1 . 2]" 1
259 1 18 ASP QB 1 23 GLY H 5.000 . 5.500 2.177 1.700 2.638 0.100 18 0 "[ . 1 . 2]" 1
260 1 18 ASP QB 1 23 GLY QA 5.000 . 5.500 2.731 1.878 3.633 . 0 0 "[ . 1 . 2]" 1
261 1 18 ASP QB 1 25 ILE MD 5.000 . 5.800 3.899 2.725 5.819 0.019 3 0 "[ . 1 . 2]" 1
262 1 18 ASP QB 1 25 ILE QG 5.000 . 5.500 2.822 1.787 3.667 0.013 19 0 "[ . 1 . 2]" 1
263 1 18 ASP QB 1 25 ILE MG 5.000 . 5.800 2.929 1.812 3.916 . 0 0 "[ . 1 . 2]" 1
264 1 18 ASP QB 1 63 TYR QD 5.000 . 5.500 4.436 3.888 5.125 . 0 0 "[ . 1 . 2]" 1
265 1 18 ASP QB 1 63 TYR QE 2.670 . 2.940 2.655 2.086 3.062 0.122 6 0 "[ . 1 . 2]" 1
266 1 19 LYS H 1 20 ASP H 3.420 . 3.770 3.036 2.295 3.819 0.049 20 0 "[ . 1 . 2]" 1
267 1 19 LYS H 1 22 ASN H 5.000 . 5.500 4.927 3.688 5.614 0.114 11 0 "[ . 1 . 2]" 1
268 1 19 LYS HA 1 20 ASP H 5.000 . 5.500 3.529 3.445 3.590 . 0 0 "[ . 1 . 2]" 1
269 1 19 LYS QB 1 20 ASP H 2.870 . 3.160 2.357 1.784 2.956 0.016 4 0 "[ . 1 . 2]" 1
270 1 19 LYS QB 1 20 ASP QB 3.280 . 3.620 3.351 3.149 3.768 0.148 7 0 "[ . 1 . 2]" 1
271 1 20 ASP H 1 20 ASP QB 3.280 . 3.620 2.634 2.164 3.346 . 0 0 "[ . 1 . 2]" 1
272 1 20 ASP H 1 21 GLY H 3.010 . 3.320 2.243 1.853 3.058 . 0 0 "[ . 1 . 2]" 1
273 1 20 ASP H 1 21 GLY QA 3.940 . 4.350 3.984 3.498 4.471 0.121 6 0 "[ . 1 . 2]" 1
274 1 20 ASP H 1 22 ASN H 5.000 . 5.500 4.193 2.753 5.524 0.024 8 0 "[ . 1 . 2]" 1
275 1 20 ASP QB 1 21 GLY H 5.000 . 5.500 3.679 3.080 4.081 . 0 0 "[ . 1 . 2]" 1
276 1 21 GLY H 1 21 GLY QA 2.660 . 2.920 2.335 2.228 2.526 . 0 0 "[ . 1 . 2]" 1
277 1 21 GLY H 1 22 ASN H 3.340 . 3.690 2.549 1.841 3.293 . 0 0 "[ . 1 . 2]" 1
278 1 21 GLY H 1 23 GLY H 4.170 . 4.590 4.229 3.115 4.613 0.023 3 0 "[ . 1 . 2]" 1
279 1 21 GLY QA 1 22 ASN H 3.220 . 3.550 2.605 2.303 2.926 . 0 0 "[ . 1 . 2]" 1
280 1 21 GLY QA 1 23 GLY H 4.490 . 4.950 4.022 3.090 4.992 0.042 12 0 "[ . 1 . 2]" 1
281 1 22 ASN H 1 23 GLY H 3.070 . 3.380 2.233 1.793 2.864 0.007 1 0 "[ . 1 . 2]" 1
282 1 22 ASN H 1 24 TYR H 5.000 . 5.500 4.805 4.031 5.490 . 0 0 "[ . 1 . 2]" 1
283 1 22 ASN HA 1 24 TYR QD 4.540 . 5.010 4.700 3.613 5.081 0.071 5 0 "[ . 1 . 2]" 1
284 1 22 ASN QB 1 23 GLY H 5.000 . 5.500 2.784 2.021 3.667 . 0 0 "[ . 1 . 2]" 1
285 1 22 ASN QB 1 24 TYR H 5.000 . 5.500 2.970 2.319 4.030 . 0 0 "[ . 1 . 2]" 1
286 1 22 ASN QB 1 24 TYR QD 3.620 . 3.990 3.121 2.136 4.162 0.172 20 0 "[ . 1 . 2]" 1
287 1 22 ASN QB 1 25 ILE HA 5.000 . 5.500 4.984 3.994 5.564 0.064 1 0 "[ . 1 . 2]" 1
288 1 23 GLY H 1 24 TYR QB 5.000 . 5.500 5.311 4.640 5.668 0.168 18 0 "[ . 1 . 2]" 1
289 1 23 GLY H 1 24 TYR QD 5.000 . 5.500 4.962 4.070 5.468 . 0 0 "[ . 1 . 2]" 1
290 1 23 GLY H 1 63 TYR QD 5.000 . 5.500 5.435 4.635 5.657 0.157 3 0 "[ . 1 . 2]" 1
291 1 23 GLY QA 1 24 TYR H 5.000 . 5.500 2.616 2.400 2.795 . 0 0 "[ . 1 . 2]" 1
292 1 23 GLY QA 1 24 TYR QB 5.000 . 5.500 4.127 3.910 4.299 . 0 0 "[ . 1 . 2]" 1
293 1 24 TYR H 1 24 TYR QD 4.810 . 5.300 2.466 2.078 2.713 . 0 0 "[ . 1 . 2]" 1
294 1 24 TYR H 1 59 GLY QA 3.890 . 4.290 4.311 4.180 4.394 0.104 16 0 "[ . 1 . 2]" 1
295 1 24 TYR H 1 63 TYR QD 5.000 . 5.500 5.257 4.606 5.657 0.157 8 0 "[ . 1 . 2]" 1
296 1 24 TYR HA 1 25 ILE H 5.000 . 5.500 2.273 2.121 2.683 . 0 0 "[ . 1 . 2]" 1
297 1 24 TYR HA 1 25 ILE HB 5.000 . 5.500 5.529 5.340 5.595 0.095 7 0 "[ . 1 . 2]" 1
298 1 24 TYR HA 1 25 ILE QG 5.000 . 5.500 3.120 2.589 3.355 . 0 0 "[ . 1 . 2]" 1
299 1 24 TYR HA 1 25 ILE MG 5.000 . 5.800 4.438 3.339 4.983 . 0 0 "[ . 1 . 2]" 1
300 1 24 TYR HA 1 60 GLN QB 5.000 . 5.500 4.603 3.823 5.638 0.138 3 0 "[ . 1 . 2]" 1
301 1 24 TYR HA 1 61 VAL HB 5.000 . 5.500 5.264 4.278 5.786 0.286 16 0 "[ . 1 . 2]" 1
302 1 24 TYR HA 1 62 ASN HA 5.000 . 5.500 1.793 1.739 1.930 0.061 16 0 "[ . 1 . 2]" 1
303 1 24 TYR HA 1 63 TYR H 5.000 . 5.500 4.078 2.490 4.616 . 0 0 "[ . 1 . 2]" 1
304 1 24 TYR HA 1 63 TYR QD 5.000 . 5.500 4.101 2.642 5.137 . 0 0 "[ . 1 . 2]" 1
305 1 24 TYR HA 1 63 TYR QE 5.000 . 5.500 4.542 3.136 5.477 . 0 0 "[ . 1 . 2]" 1
306 1 24 TYR QB 1 25 ILE H 5.000 . 5.500 3.068 2.098 3.592 . 0 0 "[ . 1 . 2]" 1
307 1 24 TYR QB 1 25 ILE HA 5.000 . 5.500 4.652 4.355 4.916 . 0 0 "[ . 1 . 2]" 1
308 1 24 TYR QB 1 25 ILE MG 5.000 . 5.800 5.129 4.324 5.665 . 0 0 "[ . 1 . 2]" 1
309 1 24 TYR QB 1 61 VAL H 5.000 . 5.500 3.096 2.377 3.843 . 0 0 "[ . 1 . 2]" 1
310 1 24 TYR QB 1 61 VAL HA 5.000 . 5.500 4.089 3.520 4.622 . 0 0 "[ . 1 . 2]" 1
311 1 24 TYR QB 1 61 VAL QG 4.550 . 5.310 3.967 3.231 4.600 . 0 0 "[ . 1 . 2]" 1
312 1 24 TYR QB 1 63 TYR H 5.000 . 5.500 4.990 3.691 5.495 . 0 0 "[ . 1 . 2]" 1
313 1 24 TYR QD 1 25 ILE H 3.660 . 4.030 3.214 2.072 3.737 . 0 0 "[ . 1 . 2]" 1
314 1 24 TYR QD 1 25 ILE HA 5.000 . 5.500 3.442 2.847 4.004 . 0 0 "[ . 1 . 2]" 1
315 1 24 TYR QD 1 25 ILE HB 5.000 . 5.500 5.405 4.792 5.568 0.068 5 0 "[ . 1 . 2]" 1
316 1 24 TYR QD 1 25 ILE MG 5.000 . 6.100 4.674 4.199 5.194 . 0 0 "[ . 1 . 2]" 1
317 1 24 TYR QD 1 60 GLN QB 3.050 . 3.360 2.229 1.844 2.932 . 0 0 "[ . 1 . 2]" 1
318 1 24 TYR QD 1 61 VAL H 3.750 . 4.140 3.240 2.719 3.589 . 0 0 "[ . 1 . 2]" 1
319 1 24 TYR QD 1 61 VAL QG 5.000 . 5.800 4.201 3.556 4.579 . 0 0 "[ . 1 . 2]" 1
320 1 24 TYR QD 1 62 ASN H 5.000 . 5.800 5.404 4.971 5.876 0.076 5 0 "[ . 1 . 2]" 1
321 1 24 TYR QE 1 60 GLN QB 3.750 . 4.130 3.728 3.106 4.167 0.037 11 0 "[ . 1 . 2]" 1
322 1 24 TYR QE 1 61 VAL QG 5.000 . 5.800 5.735 5.198 5.860 0.060 13 0 "[ . 1 . 2]" 1
323 1 25 ILE H 1 25 ILE MD 5.000 . 5.800 3.580 2.183 4.054 . 0 0 "[ . 1 . 2]" 1
324 1 25 ILE H 1 26 SER H 5.000 . 5.500 3.964 2.786 4.495 . 0 0 "[ . 1 . 2]" 1
325 1 25 ILE H 1 30 LEU QD 5.000 . 5.800 4.816 4.323 5.551 . 0 0 "[ . 1 . 2]" 1
326 1 25 ILE H 1 61 VAL H 3.590 . 3.950 2.749 2.017 3.786 . 0 0 "[ . 1 . 2]" 1
327 1 25 ILE H 1 61 VAL QG 5.000 . 5.800 2.739 1.834 4.007 . 0 0 "[ . 1 . 2]" 1
328 1 25 ILE HA 1 26 SER H 3.980 . 4.380 2.905 2.423 3.587 . 0 0 "[ . 1 . 2]" 1
329 1 25 ILE HA 1 26 SER HA 5.000 . 5.500 4.542 4.341 4.905 . 0 0 "[ . 1 . 2]" 1
330 1 25 ILE HA 1 26 SER QB 5.000 . 5.500 4.270 3.898 4.752 . 0 0 "[ . 1 . 2]" 1
331 1 25 ILE HA 1 29 GLU QB 5.000 . 5.500 4.169 3.961 4.640 . 0 0 "[ . 1 . 2]" 1
332 1 25 ILE HA 1 60 GLN QB 5.000 . 5.500 4.239 3.621 5.065 . 0 0 "[ . 1 . 2]" 1
333 1 25 ILE HB 1 26 SER H 5.000 . 5.500 2.167 1.768 2.576 0.032 16 0 "[ . 1 . 2]" 1
334 1 25 ILE HB 1 30 LEU H 5.000 . 5.500 4.346 4.082 4.862 . 0 0 "[ . 1 . 2]" 1
335 1 25 ILE MD 1 25 ILE MG 2.320 . 3.160 2.002 1.627 3.176 0.173 18 0 "[ . 1 . 2]" 1
336 1 25 ILE MD 1 26 SER H 4.570 . 5.330 3.756 1.765 4.569 0.035 15 0 "[ . 1 . 2]" 1
337 1 25 ILE MD 1 29 GLU QB 2.970 . 3.570 1.869 1.691 2.321 0.109 15 0 "[ . 1 . 2]" 1
338 1 25 ILE MD 1 30 LEU H 3.820 . 4.510 3.692 2.699 4.377 . 0 0 "[ . 1 . 2]" 1
339 1 25 ILE MD 1 30 LEU HA 3.290 . 3.920 3.752 3.003 4.085 0.165 10 0 "[ . 1 . 2]" 1
340 1 25 ILE MD 1 30 LEU HB2 5.000 . 5.800 4.380 2.847 5.002 . 0 0 "[ . 1 . 2]" 1
341 1 25 ILE MD 1 30 LEU QD 5.000 . 6.100 3.482 2.271 4.238 . 0 0 "[ . 1 . 2]" 1
342 1 25 ILE MD 1 30 LEU HG 3.500 . 4.160 4.200 3.287 4.435 0.275 9 0 "[ . 1 . 2]" 1
343 1 25 ILE MD 1 33 VAL H 5.000 . 5.800 5.235 5.062 5.508 . 0 0 "[ . 1 . 2]" 1
344 1 25 ILE MD 1 33 VAL QG 5.000 . 5.800 2.980 2.551 4.541 . 0 0 "[ . 1 . 2]" 1
345 1 25 ILE MD 1 34 MET H 5.000 . 5.800 5.809 5.644 5.962 0.162 13 0 "[ . 1 . 2]" 1
346 1 25 ILE MD 1 62 ASN QB 5.000 . 5.800 5.985 5.873 6.093 0.293 9 0 "[ . 1 . 2]" 1
347 1 25 ILE MD 1 63 TYR QD 3.720 . 4.400 4.220 3.447 4.554 0.154 15 0 "[ . 1 . 2]" 1
348 1 25 ILE MD 1 63 TYR QE 3.580 . 4.240 3.131 1.952 4.187 . 0 0 "[ . 1 . 2]" 1
349 1 25 ILE MD 1 66 PHE QE 3.950 . 4.650 4.485 4.298 4.722 0.072 19 0 "[ . 1 . 2]" 1
350 1 25 ILE QG 1 26 SER H 5.000 . 5.500 3.507 2.194 4.200 . 0 0 "[ . 1 . 2]" 1
351 1 25 ILE QG 1 30 LEU H 5.000 . 5.500 4.462 3.984 5.518 0.018 15 0 "[ . 1 . 2]" 1
352 1 25 ILE QG 1 30 LEU QD 3.720 . 4.400 3.609 3.094 4.492 0.092 15 0 "[ . 1 . 2]" 1
353 1 25 ILE QG 1 61 VAL H 5.000 . 5.500 3.934 3.348 4.714 . 0 0 "[ . 1 . 2]" 1
354 1 25 ILE QG 1 63 TYR QD 3.750 . 4.140 4.061 3.098 4.283 0.143 8 0 "[ . 1 . 2]" 1
355 1 25 ILE QG 1 63 TYR QE 5.000 . 5.500 3.205 2.675 3.746 . 0 0 "[ . 1 . 2]" 1
356 1 25 ILE QG 1 66 PHE QD 5.000 . 5.500 4.944 4.575 5.328 . 0 0 "[ . 1 . 2]" 1
357 1 25 ILE QG 1 66 PHE QE 5.000 . 5.500 5.666 5.539 5.813 0.313 13 0 "[ . 1 . 2]" 1
358 1 25 ILE MG 1 26 SER H 3.280 . 3.910 3.295 2.793 3.728 . 0 0 "[ . 1 . 2]" 1
359 1 25 ILE MG 1 29 GLU QB 5.000 . 5.800 2.864 2.261 3.345 . 0 0 "[ . 1 . 2]" 1
360 1 25 ILE MG 1 62 ASN HA 5.000 . 5.800 5.291 4.546 5.895 0.095 15 0 "[ . 1 . 2]" 1
361 1 25 ILE MG 1 63 TYR QD 5.000 . 6.100 5.340 3.524 5.698 . 0 0 "[ . 1 . 2]" 1
362 1 25 ILE MG 1 63 TYR QE 5.000 . 5.800 3.798 2.106 4.401 . 0 0 "[ . 1 . 2]" 1
363 1 26 SER H 1 26 SER QB 2.640 . 2.910 2.553 2.245 2.999 0.089 11 0 "[ . 1 . 2]" 1
364 1 26 SER H 1 29 GLU H 3.400 . 3.750 3.725 3.382 3.851 0.101 19 0 "[ . 1 . 2]" 1
365 1 26 SER H 1 29 GLU QB 2.990 . 3.290 2.477 2.064 2.853 . 0 0 "[ . 1 . 2]" 1
366 1 26 SER HA 1 27 ALA MB 5.000 . 5.800 4.216 4.147 4.314 . 0 0 "[ . 1 . 2]" 1
367 1 26 SER HA 1 60 GLN QB 5.000 . 5.500 2.549 1.816 3.395 . 0 0 "[ . 1 . 2]" 1
368 1 26 SER QB 1 28 ALA H 3.580 . 3.940 2.737 2.136 3.289 . 0 0 "[ . 1 . 2]" 1
369 1 26 SER QB 1 29 GLU QB 2.900 . 3.200 3.241 3.031 3.310 0.110 9 0 "[ . 1 . 2]" 1
370 1 27 ALA H 1 28 ALA H 5.000 . 5.500 2.578 2.430 2.746 . 0 0 "[ . 1 . 2]" 1
371 1 27 ALA H 1 29 GLU H 5.000 . 5.500 3.962 3.664 4.373 . 0 0 "[ . 1 . 2]" 1
372 1 27 ALA H 1 30 LEU QD 5.000 . 5.800 5.493 5.177 5.839 0.039 7 0 "[ . 1 . 2]" 1
373 1 27 ALA H 1 50 ILE QG 5.000 . 5.500 4.797 3.673 5.497 . 0 0 "[ . 1 . 2]" 1
374 1 27 ALA HA 1 27 ALA MB 2.320 . 2.860 2.133 2.115 2.156 . 0 0 "[ . 1 . 2]" 1
375 1 27 ALA HA 1 28 ALA H 5.000 . 5.500 3.520 3.447 3.585 . 0 0 "[ . 1 . 2]" 1
376 1 27 ALA HA 1 28 ALA MB 5.000 . 5.800 5.004 4.972 5.039 . 0 0 "[ . 1 . 2]" 1
377 1 27 ALA HA 1 30 LEU H 5.000 . 5.500 3.264 3.014 3.563 . 0 0 "[ . 1 . 2]" 1
378 1 27 ALA HA 1 30 LEU HB3 5.000 . 5.500 3.820 3.475 4.221 . 0 0 "[ . 1 . 2]" 1
379 1 27 ALA HA 1 30 LEU QD 3.550 . 4.220 3.591 3.259 3.803 . 0 0 "[ . 1 . 2]" 1
380 1 27 ALA HA 1 31 ARG H 3.640 . 4.010 4.053 3.957 4.112 0.102 6 0 "[ . 1 . 2]" 1
381 1 27 ALA HA 1 50 ILE QG 5.000 . 5.500 2.853 2.004 3.461 . 0 0 "[ . 1 . 2]" 1
382 1 27 ALA HA 1 50 ILE MG 5.000 . 5.800 3.149 2.438 3.642 . 0 0 "[ . 1 . 2]" 1
383 1 27 ALA HA 1 61 VAL QG 5.000 . 5.800 3.188 2.399 3.755 . 0 0 "[ . 1 . 2]" 1
384 1 27 ALA MB 1 30 LEU QD 3.530 . 4.500 4.373 4.130 4.521 0.021 11 0 "[ . 1 . 2]" 1
385 1 27 ALA MB 1 46 VAL MG2 5.000 . 5.800 4.479 3.974 4.993 . 0 0 "[ . 1 . 2]" 1
386 1 27 ALA MB 1 50 ILE MD 5.000 . 5.800 2.721 2.330 3.174 . 0 0 "[ . 1 . 2]" 1
387 1 28 ALA H 1 28 ALA HA 2.770 . 3.050 2.860 2.787 2.912 . 0 0 "[ . 1 . 2]" 1
388 1 28 ALA H 1 28 ALA MB 2.620 . 3.190 2.090 2.054 2.184 . 0 0 "[ . 1 . 2]" 1
389 1 28 ALA H 1 29 GLU H 5.000 . 5.500 2.582 2.408 2.798 . 0 0 "[ . 1 . 2]" 1
390 1 28 ALA H 1 31 ARG QB 5.000 . 5.500 5.183 4.451 5.567 0.067 20 0 "[ . 1 . 2]" 1
391 1 28 ALA H 1 61 VAL QG 5.000 . 5.800 5.285 4.812 5.832 0.032 19 0 "[ . 1 . 2]" 1
392 1 28 ALA HA 1 28 ALA MB 2.300 . 2.840 2.118 2.110 2.136 . 0 0 "[ . 1 . 2]" 1
393 1 28 ALA HA 1 29 GLU H 5.000 . 5.500 3.485 3.426 3.565 . 0 0 "[ . 1 . 2]" 1
394 1 28 ALA HA 1 31 ARG H 3.290 . 3.620 3.597 3.232 3.723 0.103 3 0 "[ . 1 . 2]" 1
395 1 28 ALA HA 1 31 ARG QB 3.250 . 3.580 3.063 2.114 3.620 0.040 15 0 "[ . 1 . 2]" 1
396 1 28 ALA HA 1 31 ARG QD 5.000 . 5.800 3.563 3.123 4.237 . 0 0 "[ . 1 . 2]" 1
397 1 28 ALA MB 1 29 GLU H 2.950 . 3.550 2.859 2.520 3.030 . 0 0 "[ . 1 . 2]" 1
398 1 28 ALA MB 1 29 GLU HA 3.200 . 3.820 3.794 3.724 3.847 0.027 5 0 "[ . 1 . 2]" 1
399 1 29 GLU H 1 29 GLU QB 2.570 . 2.830 2.171 2.070 2.344 . 0 0 "[ . 1 . 2]" 1
400 1 29 GLU H 1 30 LEU H 5.000 . 5.500 2.608 2.364 2.815 . 0 0 "[ . 1 . 2]" 1
401 1 29 GLU HA 1 32 HIS H 5.000 . 5.500 3.730 3.434 4.013 . 0 0 "[ . 1 . 2]" 1
402 1 29 GLU QB 1 30 LEU H 3.070 . 3.380 2.510 2.341 2.790 . 0 0 "[ . 1 . 2]" 1
403 1 29 GLU QB 1 30 LEU HG 5.000 . 5.500 4.874 4.539 5.209 . 0 0 "[ . 1 . 2]" 1
404 1 29 GLU QB 1 33 VAL H 5.000 . 5.500 4.881 4.629 5.403 . 0 0 "[ . 1 . 2]" 1
405 1 29 GLU QB 1 61 VAL H 5.000 . 5.500 5.581 5.525 5.651 0.151 16 0 "[ . 1 . 2]" 1
406 1 29 GLU QB 1 61 VAL QG 5.000 . 5.800 3.637 3.059 4.176 . 0 0 "[ . 1 . 2]" 1
407 1 30 LEU H 1 30 LEU HB2 2.970 . 3.270 2.079 2.020 2.133 . 0 0 "[ . 1 . 2]" 1
408 1 30 LEU H 1 30 LEU HB3 2.910 . 3.210 3.173 3.016 3.244 0.034 6 0 "[ . 1 . 2]" 1
409 1 30 LEU H 1 30 LEU QD 2.840 . 3.440 3.290 3.053 3.483 0.043 19 0 "[ . 1 . 2]" 1
410 1 30 LEU H 1 30 LEU HG 3.580 . 3.940 3.944 3.756 4.102 0.162 19 0 "[ . 1 . 2]" 1
411 1 30 LEU H 1 32 HIS H 5.000 . 5.500 4.121 3.819 4.467 . 0 0 "[ . 1 . 2]" 1
412 1 30 LEU H 1 46 VAL MG2 5.000 . 5.800 4.427 4.109 4.848 . 0 0 "[ . 1 . 2]" 1
413 1 30 LEU H 1 61 VAL QG 3.180 . 3.800 3.640 3.335 3.869 0.069 3 0 "[ . 1 . 2]" 1
414 1 30 LEU HA 1 30 LEU HB2 2.660 . 2.920 2.796 2.728 2.844 . 0 0 "[ . 1 . 2]" 1
415 1 30 LEU HA 1 30 LEU QD 2.420 . 2.970 2.832 2.678 2.866 . 0 0 "[ . 1 . 2]" 1
416 1 30 LEU HA 1 30 LEU HG 2.610 . 3.170 1.896 1.867 1.967 . 0 0 "[ . 1 . 2]" 1
417 1 30 LEU HA 1 31 ARG H 5.000 . 5.500 3.575 3.529 3.614 . 0 0 "[ . 1 . 2]" 1
418 1 30 LEU HA 1 33 VAL H 5.000 . 5.500 3.115 2.739 3.702 . 0 0 "[ . 1 . 2]" 1
419 1 30 LEU HA 1 33 VAL HB 5.000 . 5.500 3.210 2.325 4.541 . 0 0 "[ . 1 . 2]" 1
420 1 30 LEU HA 1 46 VAL MG2 4.770 . 5.560 3.776 3.517 4.067 . 0 0 "[ . 1 . 2]" 1
421 1 30 LEU HA 1 50 ILE QG 5.000 . 5.500 5.543 5.424 5.685 0.185 6 0 "[ . 1 . 2]" 1
422 1 30 LEU HA 1 66 PHE QE 4.050 . 4.450 3.816 3.117 4.185 . 0 0 "[ . 1 . 2]" 1
423 1 30 LEU HA 1 66 PHE HZ 3.590 . 3.950 3.985 3.679 4.111 0.161 17 0 "[ . 1 . 2]" 1
424 1 30 LEU QB 1 34 MET QG 5.000 . 5.500 4.848 4.041 5.444 . 0 0 "[ . 1 . 2]" 1
425 1 30 LEU HB2 1 30 LEU QD 2.920 . 3.520 1.915 1.871 2.030 . 0 0 "[ . 1 . 2]" 1
426 1 30 LEU HB2 1 31 ARG H 5.000 . 5.500 3.204 2.958 3.437 . 0 0 "[ . 1 . 2]" 1
427 1 30 LEU HB2 1 66 PHE QD 5.000 . 5.500 5.024 4.743 5.567 0.067 10 0 "[ . 1 . 2]" 1
428 1 30 LEU HB2 1 66 PHE QE 5.000 . 5.500 4.796 4.414 5.255 . 0 0 "[ . 1 . 2]" 1
429 1 30 LEU HB3 1 30 LEU QD 2.720 . 3.290 1.958 1.842 2.074 . 0 0 "[ . 1 . 2]" 1
430 1 30 LEU HB3 1 33 VAL QG 5.000 . 5.800 4.875 3.882 5.895 0.095 3 0 "[ . 1 . 2]" 1
431 1 30 LEU HB3 1 50 ILE MD 5.000 . 5.800 1.850 1.750 2.115 0.050 19 0 "[ . 1 . 2]" 1
432 1 30 LEU QD 1 31 ARG H 5.000 . 5.800 3.852 3.515 4.076 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU QD 1 32 HIS H 4.800 . 5.590 5.149 4.802 5.562 . 0 0 "[ . 1 . 2]" 1
434 1 30 LEU QD 1 33 VAL HB 5.000 . 5.800 4.355 3.825 5.290 . 0 0 "[ . 1 . 2]" 1
435 1 30 LEU QD 1 34 MET H 5.000 . 5.800 3.404 3.084 4.059 . 0 0 "[ . 1 . 2]" 1
436 1 30 LEU QD 1 34 MET HA 5.000 . 5.800 4.240 3.740 4.938 . 0 0 "[ . 1 . 2]" 1
437 1 30 LEU QD 1 34 MET QG 2.830 . 3.420 2.501 1.746 3.236 0.054 4 0 "[ . 1 . 2]" 1
438 1 30 LEU QD 1 35 THR H 5.000 . 5.800 5.120 4.786 5.808 0.008 20 0 "[ . 1 . 2]" 1
439 1 30 LEU QD 1 41 LEU QD 2.850 . 3.740 3.615 3.027 3.798 0.058 4 0 "[ . 1 . 2]" 1
440 1 30 LEU QD 1 46 VAL HB 3.130 . 3.750 3.806 3.610 3.918 0.168 2 0 "[ . 1 . 2]" 1
441 1 30 LEU QD 1 46 VAL MG2 2.870 . 3.760 1.806 1.717 1.928 0.083 4 0 "[ . 1 . 2]" 1
442 1 30 LEU QD 1 49 MET QB 3.520 . 4.180 4.016 3.250 4.217 0.037 17 0 "[ . 1 . 2]" 1
443 1 30 LEU QD 1 50 ILE H 5.000 . 5.800 4.444 4.022 4.839 . 0 0 "[ . 1 . 2]" 1
444 1 30 LEU QD 1 50 ILE HA 2.930 . 3.530 3.517 3.265 3.705 0.175 11 0 "[ . 1 . 2]" 1
445 1 30 LEU QD 1 53 ALA MB 3.050 . 3.960 3.341 2.996 3.842 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU QD 1 54 ASP H 5.000 . 5.800 4.797 3.825 5.822 0.022 11 0 "[ . 1 . 2]" 1
447 1 30 LEU QD 1 61 VAL H 5.000 . 5.800 4.531 4.070 5.025 . 0 0 "[ . 1 . 2]" 1
448 1 30 LEU QD 1 61 VAL HB 2.810 . 3.400 2.563 1.918 3.434 0.034 6 0 "[ . 1 . 2]" 1
449 1 30 LEU QD 1 61 VAL QG 5.000 . 5.800 1.678 1.522 1.768 0.278 11 0 "[ . 1 . 2]" 1
450 1 30 LEU QD 1 63 TYR QD 5.000 . 6.100 5.511 5.163 5.945 . 0 0 "[ . 1 . 2]" 1
451 1 30 LEU QD 1 63 TYR QE 5.000 . 5.800 5.917 5.815 6.054 0.254 7 0 "[ . 1 . 2]" 1
452 1 30 LEU QD 1 66 PHE H 5.000 . 5.800 4.674 4.386 4.937 . 0 0 "[ . 1 . 2]" 1
453 1 30 LEU QD 1 66 PHE HA 5.000 . 5.800 2.874 2.639 3.248 . 0 0 "[ . 1 . 2]" 1
454 1 30 LEU QD 1 66 PHE QB 3.530 . 4.190 2.852 2.323 3.332 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU QD 1 66 PHE QD 5.000 . 5.800 1.944 1.770 2.321 0.030 17 0 "[ . 1 . 2]" 1
456 1 30 LEU QD 1 66 PHE QE 5.000 . 5.800 1.764 1.722 1.809 0.078 2 0 "[ . 1 . 2]" 1
457 1 30 LEU QD 1 66 PHE HZ 5.000 . 5.800 3.331 2.666 3.756 . 0 0 "[ . 1 . 2]" 1
458 1 30 LEU QD 1 69 MET QB 2.990 . 3.590 2.543 2.082 3.174 . 0 0 "[ . 1 . 2]" 1
459 1 30 LEU QD 1 69 MET QG 2.950 . 3.550 2.003 1.729 2.710 0.071 8 0 "[ . 1 . 2]" 1
460 1 30 LEU HG 1 61 VAL QG 4.210 . 4.940 3.617 2.882 4.029 . 0 0 "[ . 1 . 2]" 1
461 1 30 LEU HG 1 66 PHE HZ 3.040 . 3.650 3.288 2.845 3.682 0.032 17 0 "[ . 1 . 2]" 1
462 1 30 LEU HG 1 69 MET QG 5.000 . 5.500 4.239 3.761 4.977 . 0 0 "[ . 1 . 2]" 1
463 1 31 ARG H 1 31 ARG QB 2.590 . 2.850 2.418 2.170 2.653 . 0 0 "[ . 1 . 2]" 1
464 1 31 ARG H 1 31 ARG QD 5.000 . 5.800 3.826 3.590 4.139 . 0 0 "[ . 1 . 2]" 1
465 1 31 ARG H 1 32 HIS QB 5.000 . 5.500 4.624 4.422 4.814 . 0 0 "[ . 1 . 2]" 1
466 1 31 ARG H 1 47 ASP H 5.000 . 5.500 5.476 5.144 5.578 0.078 20 0 "[ . 1 . 2]" 1
467 1 31 ARG H 1 50 ILE MD 2.830 . 3.420 3.356 2.986 3.508 0.088 13 0 "[ . 1 . 2]" 1
468 1 31 ARG HA 1 32 HIS H 5.000 . 5.500 3.498 3.387 3.567 . 0 0 "[ . 1 . 2]" 1
469 1 31 ARG HA 1 34 MET H 5.000 . 5.500 4.519 4.117 4.760 . 0 0 "[ . 1 . 2]" 1
470 1 31 ARG HA 1 35 THR H 5.000 . 5.500 4.489 4.125 5.029 . 0 0 "[ . 1 . 2]" 1
471 1 31 ARG HA 1 46 VAL MG1 5.000 . 5.800 1.803 1.746 2.058 0.054 17 0 "[ . 1 . 2]" 1
472 1 31 ARG HA 1 46 VAL MG2 3.080 . 3.690 2.157 1.804 2.630 . 0 0 "[ . 1 . 2]" 1
473 1 31 ARG QB 1 32 HIS H 2.860 . 3.150 3.215 2.942 3.398 0.248 8 0 "[ . 1 . 2]" 1
474 1 31 ARG QB 1 32 HIS HA 5.000 . 5.500 4.359 4.136 4.634 . 0 0 "[ . 1 . 2]" 1
475 1 31 ARG QD 1 32 HIS HD2 5.000 . 5.800 5.507 5.168 5.851 0.051 12 0 "[ . 1 . 2]" 1
476 1 31 ARG QG 1 32 HIS H 3.800 . 4.240 2.851 1.812 4.219 . 0 0 "[ . 1 . 2]" 1
477 1 31 ARG QG 1 43 ASP HA 5.000 . 5.500 3.680 1.777 4.742 0.023 12 0 "[ . 1 . 2]" 1
478 1 31 ARG QG 1 47 ASP HA 5.000 . 5.500 5.341 4.511 5.534 0.034 14 0 "[ . 1 . 2]" 1
479 1 32 HIS H 1 32 HIS QB 3.230 . 3.560 2.332 2.256 2.472 . 0 0 "[ . 1 . 2]" 1
480 1 32 HIS H 1 32 HIS HD2 5.000 . 5.500 4.974 4.715 5.271 . 0 0 "[ . 1 . 2]" 1
481 1 32 HIS H 1 33 VAL H 3.010 . 3.320 2.452 2.009 2.953 . 0 0 "[ . 1 . 2]" 1
482 1 32 HIS H 1 33 VAL QG 5.000 . 5.800 3.588 3.179 4.482 . 0 0 "[ . 1 . 2]" 1
483 1 32 HIS H 1 46 VAL MG1 3.930 . 4.630 4.626 4.398 4.727 0.097 4 0 "[ . 1 . 2]" 1
484 1 32 HIS HA 1 33 VAL H 3.310 . 3.650 3.529 3.424 3.606 . 0 0 "[ . 1 . 2]" 1
485 1 32 HIS QB 1 33 VAL H 3.350 . 3.700 2.808 2.333 3.127 . 0 0 "[ . 1 . 2]" 1
486 1 32 HIS HD2 1 33 VAL H 5.000 . 5.500 3.896 3.183 4.603 . 0 0 "[ . 1 . 2]" 1
487 1 32 HIS HD2 1 35 THR MG 5.000 . 5.800 4.835 3.742 5.891 0.091 18 0 "[ . 1 . 2]" 1
488 1 32 HIS HD2 1 36 ASN HD22 2.160 . 2.370 2.316 1.864 2.459 0.089 8 0 "[ . 1 . 2]" 1
489 1 32 HIS HE1 1 36 ASN QD 5.000 . 5.500 4.832 3.918 5.509 0.009 12 0 "[ . 1 . 2]" 1
490 1 33 VAL H 1 33 VAL HA 2.760 . 3.040 2.951 2.881 2.985 . 0 0 "[ . 1 . 2]" 1
491 1 33 VAL H 1 33 VAL QG 2.920 . 3.520 2.068 1.741 2.396 0.069 13 0 "[ . 1 . 2]" 1
492 1 33 VAL H 1 35 THR H 5.000 . 5.500 3.596 3.375 3.913 . 0 0 "[ . 1 . 2]" 1
493 1 33 VAL H 1 35 THR MG 5.000 . 5.800 4.474 3.075 5.878 0.078 3 0 "[ . 1 . 2]" 1
494 1 33 VAL HA 1 33 VAL QG 3.050 . 3.650 2.000 1.867 2.134 . 0 0 "[ . 1 . 2]" 1
495 1 33 VAL HA 1 35 THR H 4.410 . 4.860 3.673 3.488 3.907 . 0 0 "[ . 1 . 2]" 1
496 1 33 VAL HA 1 35 THR MG 5.000 . 5.800 4.528 3.393 5.884 0.084 5 0 "[ . 1 . 2]" 1
497 1 33 VAL HA 1 36 ASN H 5.000 . 5.500 3.862 3.332 5.181 . 0 0 "[ . 1 . 2]" 1
498 1 33 VAL HA 1 36 ASN QB 5.000 . 5.500 4.266 2.840 4.962 . 0 0 "[ . 1 . 2]" 1
499 1 33 VAL HA 1 37 LEU H 3.500 . 3.860 3.947 3.856 4.022 0.162 11 0 "[ . 1 . 2]" 1
500 1 33 VAL HB 1 34 MET ME 5.000 . 5.800 5.726 5.376 5.917 0.117 4 0 "[ . 1 . 2]" 1
501 1 33 VAL HB 1 66 PHE QE 3.150 . 3.470 3.455 3.159 3.590 0.120 19 0 "[ . 1 . 2]" 1
502 1 33 VAL HB 1 66 PHE HZ 5.000 . 5.500 2.903 2.453 3.420 . 0 0 "[ . 1 . 2]" 1
503 1 33 VAL QG 1 34 MET H 5.000 . 5.800 2.824 1.769 3.247 0.031 15 0 "[ . 1 . 2]" 1
504 1 33 VAL QG 1 36 ASN HD22 5.000 . 5.800 3.450 2.800 4.630 . 0 0 "[ . 1 . 2]" 1
505 1 33 VAL QG 1 37 LEU H 3.830 . 4.530 3.930 3.406 4.700 0.170 5 0 "[ . 1 . 2]" 1
506 1 33 VAL QG 1 37 LEU QD 5.000 . 5.800 2.591 1.737 3.905 0.063 3 0 "[ . 1 . 2]" 1
507 1 33 VAL QG 1 66 PHE QD 5.000 . 5.800 4.298 3.901 4.783 . 0 0 "[ . 1 . 2]" 1
508 1 33 VAL QG 1 66 PHE QE 4.060 . 4.770 2.804 2.356 3.504 . 0 0 "[ . 1 . 2]" 1
509 1 33 VAL QG 1 66 PHE HZ 3.110 . 3.730 2.824 2.026 3.782 0.052 9 0 "[ . 1 . 2]" 1
510 1 34 MET H 1 34 MET QG 3.840 . 4.230 3.455 2.823 3.991 . 0 0 "[ . 1 . 2]" 1
511 1 34 MET H 1 35 THR H 5.000 . 5.500 2.759 2.591 2.986 . 0 0 "[ . 1 . 2]" 1
512 1 34 MET H 1 35 THR MG 5.000 . 5.800 4.675 3.461 5.971 0.171 1 0 "[ . 1 . 2]" 1
513 1 34 MET H 1 46 VAL HB 5.000 . 5.500 5.494 5.087 5.613 0.113 13 0 "[ . 1 . 2]" 1
514 1 34 MET H 1 46 VAL MG1 5.000 . 5.800 5.244 4.723 5.567 . 0 0 "[ . 1 . 2]" 1
515 1 34 MET H 1 66 PHE QD 5.000 . 5.800 5.812 5.452 5.992 0.192 2 0 "[ . 1 . 2]" 1
516 1 34 MET HA 1 34 MET QG 2.760 . 3.040 2.172 1.902 2.925 . 0 0 "[ . 1 . 2]" 1
517 1 34 MET HA 1 37 LEU HG 3.000 . 3.310 2.730 1.945 3.422 0.112 4 0 "[ . 1 . 2]" 1
518 1 34 MET HA 1 41 LEU QD 5.000 . 5.800 3.781 3.423 4.671 . 0 0 "[ . 1 . 2]" 1
519 1 34 MET HA 1 66 PHE HZ 2.990 . 3.290 3.094 2.570 3.363 0.073 20 0 "[ . 1 . 2]" 1
520 1 34 MET QB 1 66 PHE QD 5.000 . 5.500 4.874 4.312 5.429 . 0 0 "[ . 1 . 2]" 1
521 1 34 MET ME 1 66 PHE HZ 5.000 . 5.800 4.132 2.804 4.884 . 0 0 "[ . 1 . 2]" 1
522 1 34 MET ME 1 69 MET QB 5.000 . 5.800 2.496 1.706 4.443 0.094 7 0 "[ . 1 . 2]" 1
523 1 34 MET ME 1 72 ALA MB 5.000 . 5.800 5.257 4.317 5.826 0.026 20 0 "[ . 1 . 2]" 1
524 1 34 MET QG 1 35 THR H 5.000 . 5.500 4.642 4.449 5.047 . 0 0 "[ . 1 . 2]" 1
525 1 34 MET QG 1 39 GLU HA 5.000 . 5.500 5.183 4.589 5.643 0.143 8 0 "[ . 1 . 2]" 1
526 1 34 MET QG 1 66 PHE QD 5.000 . 5.500 4.031 3.678 4.818 . 0 0 "[ . 1 . 2]" 1
527 1 34 MET QG 1 66 PHE QE 2.750 . 3.040 2.022 1.739 2.784 0.061 2 0 "[ . 1 . 2]" 1
528 1 34 MET QG 1 66 PHE HZ 5.000 . 5.500 2.470 1.808 3.324 . 0 0 "[ . 1 . 2]" 1
529 1 35 THR H 1 35 THR HB 3.000 . 3.310 2.681 2.209 3.537 0.227 20 0 "[ . 1 . 2]" 1
530 1 35 THR H 1 35 THR MG 3.350 . 4.000 2.629 1.792 3.737 0.008 6 0 "[ . 1 . 2]" 1
531 1 35 THR H 1 36 ASN H 5.000 . 5.500 2.498 2.054 3.355 . 0 0 "[ . 1 . 2]" 1
532 1 35 THR H 1 37 LEU QD 5.000 . 5.800 3.885 2.892 5.066 . 0 0 "[ . 1 . 2]" 1
533 1 35 THR H 1 37 LEU HG 5.000 . 5.500 5.027 4.195 5.611 0.111 4 0 "[ . 1 . 2]" 1
534 1 35 THR HA 1 35 THR MG 2.570 . 3.130 2.830 2.051 3.188 0.058 2 0 "[ . 1 . 2]" 1
535 1 35 THR HA 1 36 ASN H 5.000 . 5.500 3.278 2.642 3.501 . 0 0 "[ . 1 . 2]" 1
536 1 35 THR HA 1 39 GLU QB 5.000 . 5.500 4.330 4.045 4.913 . 0 0 "[ . 1 . 2]" 1
537 1 35 THR MG 1 39 GLU QB 5.000 . 5.800 5.789 5.234 5.925 0.125 19 0 "[ . 1 . 2]" 1
538 1 35 THR MG 1 40 LYS HA 5.000 . 5.800 3.939 2.944 4.585 . 0 0 "[ . 1 . 2]" 1
539 1 35 THR MG 1 40 LYS QB 5.000 . 5.800 5.012 3.668 5.829 0.029 8 0 "[ . 1 . 2]" 1
540 1 35 THR MG 1 41 LEU H 4.180 . 4.900 4.049 2.666 4.943 0.043 8 0 "[ . 1 . 2]" 1
541 1 36 ASN H 1 37 LEU QB 5.000 . 5.500 4.114 3.396 5.035 . 0 0 "[ . 1 . 2]" 1
542 1 36 ASN H 1 37 LEU QD 2.990 . 3.590 2.807 1.881 3.672 0.082 13 0 "[ . 1 . 2]" 1
543 1 36 ASN H 1 40 LYS H 3.640 . 4.010 4.004 3.010 4.128 0.118 20 0 "[ . 1 . 2]" 1
544 1 36 ASN QB 1 37 LEU H 5.000 . 5.500 3.017 1.849 3.531 . 0 0 "[ . 1 . 2]" 1
545 1 36 ASN HD21 1 37 LEU H 4.470 . 4.920 4.319 3.704 4.930 0.010 3 0 "[ . 1 . 2]" 1
546 1 36 ASN HD22 1 37 LEU QD 5.000 . 6.100 4.534 2.777 6.097 . 0 0 "[ . 1 . 2]" 1
547 1 37 LEU H 1 37 LEU HA 2.730 . 3.010 2.792 2.723 2.854 . 0 0 "[ . 1 . 2]" 1
548 1 37 LEU H 1 37 LEU HG 5.000 . 5.500 3.038 2.061 3.872 . 0 0 "[ . 1 . 2]" 1
549 1 37 LEU H 1 38 GLY H 5.000 . 5.500 4.328 2.763 4.706 . 0 0 "[ . 1 . 2]" 1
550 1 37 LEU HA 1 37 LEU QD 2.540 . 3.100 2.453 1.715 3.148 0.085 13 0 "[ . 1 . 2]" 1
551 1 37 LEU HA 1 38 GLY H 3.110 . 3.430 2.829 2.412 3.540 0.110 8 0 "[ . 1 . 2]" 1
552 1 37 LEU QB 1 38 GLY H 3.100 . 3.410 2.132 1.799 2.880 0.001 1 0 "[ . 1 . 2]" 1
553 1 37 LEU QB 1 39 GLU H 2.930 . 3.230 2.878 2.217 3.396 0.166 19 0 "[ . 1 . 2]" 1
554 1 37 LEU HG 1 66 PHE QE 3.590 . 3.950 4.108 3.988 4.250 0.300 13 0 "[ . 1 . 2]" 1
555 1 38 GLY QA 1 39 GLU H 3.340 . 3.690 2.826 2.635 2.971 . 0 0 "[ . 1 . 2]" 1
556 1 38 GLY QA 1 40 LYS QB 5.000 . 5.500 4.507 3.744 5.579 0.079 5 0 "[ . 1 . 2]" 1
557 1 39 GLU H 1 39 GLU QB 2.570 . 2.830 2.309 2.069 2.732 . 0 0 "[ . 1 . 2]" 1
558 1 39 GLU H 1 39 GLU QG 2.930 . 3.230 2.846 1.843 3.331 0.101 5 0 "[ . 1 . 2]" 1
559 1 39 GLU H 1 40 LYS H 5.000 . 5.500 3.108 2.156 4.369 . 0 0 "[ . 1 . 2]" 1
560 1 39 GLU HA 1 39 GLU QG 2.810 . 3.100 2.499 1.988 3.105 0.005 13 0 "[ . 1 . 2]" 1
561 1 39 GLU QB 1 40 LYS HA 5.000 . 5.500 3.986 3.705 4.368 . 0 0 "[ . 1 . 2]" 1
562 1 39 GLU QB 1 41 LEU QD 2.310 . 2.850 2.294 1.777 2.973 0.123 12 0 "[ . 1 . 2]" 1
563 1 39 GLU QB 1 41 LEU HG 5.000 . 5.500 4.936 4.355 5.568 0.068 12 0 "[ . 1 . 2]" 1
564 1 39 GLU QB 1 70 MET HA 3.870 . 4.260 3.880 3.356 4.345 0.085 8 0 "[ . 1 . 2]" 1
565 1 39 GLU QG 1 40 LYS H 5.000 . 5.500 4.039 3.594 4.478 . 0 0 "[ . 1 . 2]" 1
566 1 39 GLU QG 1 70 MET HA 2.990 . 3.290 2.309 1.809 3.076 . 0 0 "[ . 1 . 2]" 1
567 1 40 LYS H 1 40 LYS HA 2.590 . 2.850 2.406 2.337 2.759 . 0 0 "[ . 1 . 2]" 1
568 1 41 LEU H 1 42 THR H 3.270 . 3.600 3.644 2.451 3.926 0.326 2 0 "[ . 1 . 2]" 1
569 1 41 LEU H 1 46 VAL MG1 5.000 . 5.800 5.033 4.806 5.504 . 0 0 "[ . 1 . 2]" 1
570 1 41 LEU H 1 46 VAL MG2 5.000 . 5.800 5.700 5.279 5.907 0.107 20 0 "[ . 1 . 2]" 1
571 1 41 LEU QD 1 42 THR H 3.270 . 3.900 2.661 1.936 3.980 0.080 20 0 "[ . 1 . 2]" 1
572 1 41 LEU QD 1 46 VAL HB 5.000 . 5.800 1.972 1.743 2.254 0.057 17 0 "[ . 1 . 2]" 1
573 1 41 LEU QD 1 49 MET QB 5.000 . 5.800 3.529 2.812 4.231 . 0 0 "[ . 1 . 2]" 1
574 1 41 LEU QD 1 49 MET QG 5.000 . 5.800 4.278 3.648 5.158 . 0 0 "[ . 1 . 2]" 1
575 1 41 LEU QD 1 69 MET QB 5.000 . 5.800 4.048 3.367 5.700 . 0 0 "[ . 1 . 2]" 1
576 1 41 LEU HG 1 42 THR H 3.400 . 3.750 2.419 1.875 3.879 0.129 11 0 "[ . 1 . 2]" 1
577 1 41 LEU HG 1 42 THR HA 5.000 . 5.500 4.204 3.826 5.465 . 0 0 "[ . 1 . 2]" 1
578 1 41 LEU HG 1 46 VAL H 5.000 . 5.500 3.662 2.749 4.514 . 0 0 "[ . 1 . 2]" 1
579 1 41 LEU HG 1 46 VAL HB 5.000 . 5.500 2.814 2.172 3.188 . 0 0 "[ . 1 . 2]" 1
580 1 41 LEU HG 1 46 VAL MG1 2.730 . 3.310 3.352 3.055 3.482 0.172 12 0 "[ . 1 . 2]" 1
581 1 42 THR H 1 45 GLU QB 5.000 . 5.500 2.988 1.995 4.557 . 0 0 "[ . 1 . 2]" 1
582 1 42 THR H 1 45 GLU QG 2.790 . 3.080 3.003 2.155 3.368 0.288 11 0 "[ . 1 . 2]" 1
583 1 42 THR H 1 46 VAL H 5.000 . 5.500 4.049 3.354 5.546 0.046 2 0 "[ . 1 . 2]" 1
584 1 42 THR HA 1 42 THR MG 2.460 . 3.010 2.240 1.943 3.165 0.155 15 0 "[ . 1 . 2]" 1
585 1 42 THR HA 1 43 ASP H 3.010 . 3.320 2.547 2.317 2.887 . 0 0 "[ . 1 . 2]" 1
586 1 42 THR MG 1 43 ASP H 5.000 . 5.800 2.754 1.864 3.915 . 0 0 "[ . 1 . 2]" 1
587 1 42 THR MG 1 43 ASP HA 5.000 . 5.800 4.882 4.150 5.695 . 0 0 "[ . 1 . 2]" 1
588 1 42 THR MG 1 44 GLU H 4.000 . 4.710 3.268 1.854 4.432 . 0 0 "[ . 1 . 2]" 1
589 1 42 THR MG 1 44 GLU QG 5.000 . 5.800 3.738 1.819 5.681 . 0 0 "[ . 1 . 2]" 1
590 1 42 THR MG 1 45 GLU H 3.660 . 4.330 3.665 1.772 4.342 0.028 15 0 "[ . 1 . 2]" 1
591 1 42 THR MG 1 45 GLU QG 5.000 . 5.800 3.609 1.798 5.260 0.002 15 0 "[ . 1 . 2]" 1
592 1 43 ASP H 1 43 ASP QB 3.050 . 3.350 2.362 2.222 2.729 . 0 0 "[ . 1 . 2]" 1
593 1 43 ASP H 1 44 GLU H 5.000 . 5.500 2.417 1.961 2.748 . 0 0 "[ . 1 . 2]" 1
594 1 43 ASP H 1 44 GLU QG 5.000 . 5.500 4.052 3.451 4.859 . 0 0 "[ . 1 . 2]" 1
595 1 43 ASP H 1 46 VAL MG1 3.830 . 4.530 3.828 3.565 3.989 . 0 0 "[ . 1 . 2]" 1
596 1 43 ASP HA 1 44 GLU H 3.270 . 3.600 3.481 3.337 3.568 . 0 0 "[ . 1 . 2]" 1
597 1 43 ASP HA 1 46 VAL H 3.640 . 4.010 3.560 3.368 3.850 . 0 0 "[ . 1 . 2]" 1
598 1 43 ASP HA 1 46 VAL HB 3.720 . 4.100 4.126 3.867 4.196 0.096 18 0 "[ . 1 . 2]" 1
599 1 43 ASP HA 1 46 VAL MG1 3.890 . 4.590 1.827 1.757 1.925 0.043 20 0 "[ . 1 . 2]" 1
600 1 43 ASP HA 1 47 ASP H 3.340 . 3.690 3.637 3.424 3.778 0.088 10 0 "[ . 1 . 2]" 1
601 1 43 ASP QB 1 44 GLU H 3.050 . 3.350 2.950 2.625 3.462 0.112 2 0 "[ . 1 . 2]" 1
602 1 44 GLU H 1 45 GLU H 3.160 . 3.470 2.394 2.182 2.785 . 0 0 "[ . 1 . 2]" 1
603 1 44 GLU H 1 46 VAL H 4.020 . 4.430 3.906 3.482 4.338 . 0 0 "[ . 1 . 2]" 1
604 1 44 GLU HA 1 44 GLU QB 2.410 . 2.660 2.336 2.198 2.515 . 0 0 "[ . 1 . 2]" 1
605 1 44 GLU HA 1 47 ASP H 3.250 . 3.580 3.635 3.603 3.668 0.088 2 0 "[ . 1 . 2]" 1
606 1 44 GLU HA 1 47 ASP QB 5.000 . 5.500 2.923 2.535 3.986 . 0 0 "[ . 1 . 2]" 1
607 1 44 GLU QB 1 44 GLU QG 2.080 . 2.290 2.080 2.050 2.108 . 0 0 "[ . 1 . 2]" 1
608 1 44 GLU QB 1 45 GLU H 5.000 . 5.500 3.040 2.151 3.660 . 0 0 "[ . 1 . 2]" 1
609 1 44 GLU QB 1 48 GLU QG 5.000 . 5.500 4.917 4.132 5.501 0.001 1 0 "[ . 1 . 2]" 1
610 1 45 GLU H 1 45 GLU QB 2.600 . 2.860 2.482 2.189 2.844 . 0 0 "[ . 1 . 2]" 1
611 1 45 GLU H 1 46 VAL H 3.010 . 3.320 2.477 2.270 2.811 . 0 0 "[ . 1 . 2]" 1
612 1 45 GLU H 1 46 VAL HA 4.790 . 5.280 5.169 5.016 5.399 0.119 12 0 "[ . 1 . 2]" 1
613 1 46 VAL H 1 46 VAL HB 2.840 . 3.140 2.807 2.688 3.050 . 0 0 "[ . 1 . 2]" 1
614 1 46 VAL H 1 46 VAL MG1 2.750 . 3.330 1.788 1.749 1.828 0.051 13 0 "[ . 1 . 2]" 1
615 1 46 VAL H 1 47 ASP H 3.440 . 3.800 2.583 2.386 2.844 . 0 0 "[ . 1 . 2]" 1
616 1 46 VAL HA 1 46 VAL HB 2.970 . 3.270 2.416 2.378 2.467 . 0 0 "[ . 1 . 2]" 1
617 1 46 VAL HA 1 46 VAL MG2 2.860 . 3.450 2.377 2.285 2.479 . 0 0 "[ . 1 . 2]" 1
618 1 46 VAL HA 1 47 ASP H 5.000 . 5.500 3.570 3.542 3.601 . 0 0 "[ . 1 . 2]" 1
619 1 46 VAL HA 1 48 GLU H 4.290 . 4.730 4.470 3.729 4.780 0.050 18 0 "[ . 1 . 2]" 1
620 1 46 VAL HA 1 49 MET H 5.000 . 5.500 3.453 3.124 3.668 . 0 0 "[ . 1 . 2]" 1
621 1 46 VAL HA 1 49 MET QB 2.860 . 3.150 2.602 2.075 2.980 . 0 0 "[ . 1 . 2]" 1
622 1 46 VAL HA 1 49 MET QG 5.000 . 5.500 4.265 3.535 4.833 . 0 0 "[ . 1 . 2]" 1
623 1 46 VAL HB 1 47 ASP H 3.490 . 3.840 3.899 3.837 3.981 0.141 9 0 "[ . 1 . 2]" 1
624 1 46 VAL QG 1 47 ASP HA 5.000 . 5.800 3.063 2.957 3.149 . 0 0 "[ . 1 . 2]" 1
625 1 46 VAL MG1 1 47 ASP H 3.540 . 4.200 1.802 1.750 1.865 0.050 5 0 "[ . 1 . 2]" 1
626 1 46 VAL MG1 1 49 MET H 5.000 . 5.800 4.750 4.583 4.930 . 0 0 "[ . 1 . 2]" 1
627 1 46 VAL MG2 1 47 ASP H 5.000 . 5.800 3.223 2.966 3.446 . 0 0 "[ . 1 . 2]" 1
628 1 46 VAL MG2 1 49 MET H 5.000 . 5.800 4.444 4.133 4.833 . 0 0 "[ . 1 . 2]" 1
629 1 46 VAL MG2 1 50 ILE H 5.000 . 5.800 4.304 3.970 4.829 . 0 0 "[ . 1 . 2]" 1
630 1 47 ASP H 1 47 ASP QB 3.090 . 3.400 2.231 2.082 2.398 . 0 0 "[ . 1 . 2]" 1
631 1 47 ASP H 1 48 GLU H 5.000 . 5.500 2.702 2.478 2.906 . 0 0 "[ . 1 . 2]" 1
632 1 47 ASP HA 1 47 ASP QB 2.630 . 2.900 2.421 2.184 2.537 . 0 0 "[ . 1 . 2]" 1
633 1 47 ASP HA 1 48 GLU H 3.350 . 3.700 3.547 3.417 3.590 . 0 0 "[ . 1 . 2]" 1
634 1 47 ASP HA 1 50 ILE H 3.190 . 3.510 3.474 3.267 3.569 0.059 13 0 "[ . 1 . 2]" 1
635 1 47 ASP HA 1 50 ILE HB 5.000 . 5.500 2.694 2.368 3.351 . 0 0 "[ . 1 . 2]" 1
636 1 47 ASP HA 1 50 ILE MG 5.000 . 5.800 3.769 3.059 4.618 . 0 0 "[ . 1 . 2]" 1
637 1 47 ASP HA 1 51 ARG H 5.000 . 5.500 5.339 4.588 5.561 0.061 14 0 "[ . 1 . 2]" 1
638 1 47 ASP QB 1 48 GLU H 3.230 . 3.560 2.699 2.343 3.508 . 0 0 "[ . 1 . 2]" 1
639 1 48 GLU H 1 48 GLU HA 2.780 . 3.070 2.905 2.855 2.955 . 0 0 "[ . 1 . 2]" 1
640 1 48 GLU H 1 51 ARG QG 4.620 . 5.090 5.082 4.973 5.212 0.122 19 0 "[ . 1 . 2]" 1
641 1 48 GLU HA 1 48 GLU QB 2.330 . 2.570 2.493 2.362 2.548 . 0 0 "[ . 1 . 2]" 1
642 1 48 GLU HA 1 48 GLU QG 2.380 . 2.620 2.172 1.942 2.546 . 0 0 "[ . 1 . 2]" 1
643 1 48 GLU QB 1 49 MET H 5.000 . 5.500 2.990 2.628 3.390 . 0 0 "[ . 1 . 2]" 1
644 1 48 GLU QG 1 49 MET H 5.000 . 5.500 4.414 3.939 4.790 . 0 0 "[ . 1 . 2]" 1
645 1 48 GLU QG 1 51 ARG HE 3.180 . 3.500 3.433 3.132 3.521 0.021 18 0 "[ . 1 . 2]" 1
646 1 49 MET H 1 49 MET QG 3.620 . 3.990 3.950 3.361 4.059 0.069 10 0 "[ . 1 . 2]" 1
647 1 49 MET H 1 50 ILE H 5.000 . 5.500 2.352 2.118 2.588 . 0 0 "[ . 1 . 2]" 1
648 1 49 MET H 1 51 ARG QG 5.000 . 5.500 4.384 3.894 4.860 . 0 0 "[ . 1 . 2]" 1
649 1 49 MET HA 1 49 MET ME 2.400 . 2.950 2.552 2.056 2.877 . 0 0 "[ . 1 . 2]" 1
650 1 49 MET HA 1 49 MET QG 2.780 . 3.070 2.373 1.992 2.998 . 0 0 "[ . 1 . 2]" 1
651 1 49 MET HA 1 50 ILE H . . 4.200 3.431 3.351 3.500 . 0 0 "[ . 1 . 2]" 1
652 1 49 MET HA 1 52 GLU H 5.000 . 5.500 3.905 3.602 4.352 . 0 0 "[ . 1 . 2]" 1
653 1 49 MET QB 1 50 ILE H 3.170 . 3.490 3.103 2.922 3.291 . 0 0 "[ . 1 . 2]" 1
654 1 49 MET QB 1 50 ILE MD 5.000 . 5.800 4.154 3.508 4.590 . 0 0 "[ . 1 . 2]" 1
655 1 49 MET ME 1 72 ALA MB 5.000 . 6.100 3.804 2.836 4.719 . 0 0 "[ . 1 . 2]" 1
656 1 49 MET QG 1 68 GLN QG 5.000 . 5.500 5.175 4.097 5.521 0.021 17 0 "[ . 1 . 2]" 1
657 1 49 MET QG 1 69 MET HA 5.000 . 5.500 3.398 2.390 4.192 . 0 0 "[ . 1 . 2]" 1
658 1 49 MET QG 1 69 MET QB 5.000 . 5.500 3.430 1.857 4.705 . 0 0 "[ . 1 . 2]" 1
659 1 50 ILE H 1 50 ILE HB 2.340 . 2.590 2.099 2.047 2.188 . 0 0 "[ . 1 . 2]" 1
660 1 50 ILE H 1 50 ILE MD 2.760 . 3.340 3.134 2.521 3.411 0.071 17 0 "[ . 1 . 2]" 1
661 1 50 ILE H 1 51 ARG H 5.000 . 5.500 2.592 2.378 2.656 . 0 0 "[ . 1 . 2]" 1
662 1 50 ILE H 1 53 ALA MB 5.000 . 5.800 5.466 5.292 5.583 . 0 0 "[ . 1 . 2]" 1
663 1 50 ILE HA 1 50 ILE MD 2.970 . 3.570 3.153 2.834 3.458 . 0 0 "[ . 1 . 2]" 1
664 1 50 ILE HA 1 50 ILE QG 2.540 . 2.800 1.908 1.873 2.014 . 0 0 "[ . 1 . 2]" 1
665 1 50 ILE HA 1 51 ARG H 5.000 . 5.500 3.472 3.354 3.561 . 0 0 "[ . 1 . 2]" 1
666 1 50 ILE HA 1 51 ARG QG 5.000 . 5.500 4.809 4.494 5.096 . 0 0 "[ . 1 . 2]" 1
667 1 50 ILE HA 1 52 GLU QB 3.620 . 3.990 4.082 4.021 4.164 0.174 2 0 "[ . 1 . 2]" 1
668 1 50 ILE HA 1 53 ALA H 5.000 . 5.500 2.894 2.689 3.030 . 0 0 "[ . 1 . 2]" 1
669 1 50 ILE HA 1 53 ALA MB 2.400 . 2.950 2.959 2.752 3.089 0.139 11 0 "[ . 1 . 2]" 1
670 1 50 ILE HA 1 69 MET QG 3.730 . 4.110 4.022 3.356 4.220 0.110 15 0 "[ . 1 . 2]" 1
671 1 50 ILE MD 1 51 ARG H 5.000 . 5.800 4.824 4.405 5.085 . 0 0 "[ . 1 . 2]" 1
672 1 50 ILE MD 1 51 ARG QG 5.000 . 5.800 5.444 5.165 5.818 0.018 19 0 "[ . 1 . 2]" 1
673 1 50 ILE QG 1 51 ARG HA 5.000 . 5.500 5.359 5.053 5.520 0.020 10 0 "[ . 1 . 2]" 1
674 1 50 ILE QG 1 53 ALA H 3.620 . 3.990 4.094 3.994 4.196 0.206 14 0 "[ . 1 . 2]" 1
675 1 50 ILE MG 1 51 ARG H 5.000 . 5.800 2.818 2.329 3.264 . 0 0 "[ . 1 . 2]" 1
676 1 50 ILE MG 1 51 ARG HA 5.000 . 5.800 3.044 2.896 3.222 . 0 0 "[ . 1 . 2]" 1
677 1 50 ILE MG 1 51 ARG QG 5.000 . 5.800 3.235 2.391 4.044 . 0 0 "[ . 1 . 2]" 1
678 1 51 ARG H 1 51 ARG QB 2.420 . 2.670 2.675 2.607 2.793 0.123 19 0 "[ . 1 . 2]" 1
679 1 51 ARG H 1 51 ARG QD 3.610 . 3.980 3.891 3.353 4.000 0.020 14 0 "[ . 1 . 2]" 1
680 1 51 ARG HA 1 51 ARG HE 4.000 . 4.810 4.772 4.582 4.849 0.039 8 0 "[ . 1 . 2]" 1
681 1 51 ARG HA 1 53 ALA MB 5.000 . 5.800 5.635 5.077 5.829 0.029 8 0 "[ . 1 . 2]" 1
682 1 51 ARG HA 1 55 ILE QG 5.000 . 5.500 5.218 4.122 5.554 0.054 6 0 "[ . 1 . 2]" 1
683 1 51 ARG QB 1 52 GLU H 5.000 . 5.500 3.286 2.835 3.827 . 0 0 "[ . 1 . 2]" 1
684 1 51 ARG QB 1 52 GLU HA 5.000 . 5.500 4.131 3.965 4.393 . 0 0 "[ . 1 . 2]" 1
685 1 51 ARG HE 1 51 ARG QG 3.390 . 3.740 2.483 2.130 3.375 . 0 0 "[ . 1 . 2]" 1
686 1 52 GLU H 1 53 ALA H 5.000 . 5.500 2.370 1.866 2.592 . 0 0 "[ . 1 . 2]" 1
687 1 52 GLU H 1 53 ALA MB 5.000 . 5.800 4.124 3.586 4.399 . 0 0 "[ . 1 . 2]" 1
688 1 52 GLU H 1 54 ASP H 5.000 . 5.500 4.249 3.257 5.179 . 0 0 "[ . 1 . 2]" 1
689 1 52 GLU HA 1 53 ALA H 5.000 . 5.500 3.570 3.522 3.609 . 0 0 "[ . 1 . 2]" 1
690 1 52 GLU QB 1 53 ALA H 3.060 . 3.370 2.617 2.363 2.831 . 0 0 "[ . 1 . 2]" 1
691 1 53 ALA H 1 53 ALA HA 2.850 . 3.140 2.953 2.854 2.978 . 0 0 "[ . 1 . 2]" 1
692 1 53 ALA H 1 53 ALA MB 2.750 . 3.330 2.180 2.078 2.275 . 0 0 "[ . 1 . 2]" 1
693 1 53 ALA H 1 54 ASP QB 5.000 . 5.500 4.495 3.898 5.510 0.010 2 0 "[ . 1 . 2]" 1
694 1 53 ALA H 1 61 VAL QG 5.000 . 5.800 4.571 3.690 5.920 0.120 16 0 "[ . 1 . 2]" 1
695 1 53 ALA H 1 69 MET QG 4.290 . 4.730 4.570 4.153 4.801 0.071 17 0 "[ . 1 . 2]" 1
696 1 53 ALA HA 1 55 ILE QG 5.000 . 5.800 4.594 3.823 5.416 . 0 0 "[ . 1 . 2]" 1
697 1 53 ALA HA 1 65 GLU QB 5.000 . 5.500 3.124 2.261 3.911 . 0 0 "[ . 1 . 2]" 1
698 1 53 ALA MB 1 54 ASP H 3.590 . 4.250 2.401 1.789 3.353 0.011 2 0 "[ . 1 . 2]" 1
699 1 53 ALA MB 1 55 ILE QG 5.000 . 5.800 5.086 4.425 5.753 . 0 0 "[ . 1 . 2]" 1
700 1 53 ALA MB 1 61 VAL HA 5.000 . 5.800 3.292 2.765 3.801 . 0 0 "[ . 1 . 2]" 1
701 1 53 ALA MB 1 61 VAL QG 5.000 . 6.100 2.389 1.791 3.744 0.009 17 0 "[ . 1 . 2]" 1
702 1 53 ALA MB 1 62 ASN H 3.980 . 4.680 4.465 3.865 4.736 0.056 16 0 "[ . 1 . 2]" 1
703 1 53 ALA MB 1 66 PHE H 5.000 . 5.800 4.047 3.574 4.498 . 0 0 "[ . 1 . 2]" 1
704 1 53 ALA MB 1 66 PHE HA 5.000 . 5.800 3.115 2.646 3.662 . 0 0 "[ . 1 . 2]" 1
705 1 53 ALA MB 1 68 GLN H 3.580 . 3.940 3.925 3.657 4.161 0.221 17 0 "[ . 1 . 2]" 1
706 1 53 ALA MB 1 69 MET H 5.000 . 5.800 3.896 3.126 4.282 . 0 0 "[ . 1 . 2]" 1
707 1 53 ALA MB 1 69 MET HA 5.000 . 5.800 4.867 3.419 5.658 . 0 0 "[ . 1 . 2]" 1
708 1 53 ALA MB 1 69 MET ME 5.000 . 6.100 2.162 1.673 3.074 0.127 15 0 "[ . 1 . 2]" 1
709 1 54 ASP H 1 54 ASP QB 3.720 . 4.100 2.354 2.061 2.782 . 0 0 "[ . 1 . 2]" 1
710 1 54 ASP H 1 55 ILE MG 3.440 . 4.100 3.864 3.302 4.138 0.038 19 0 "[ . 1 . 2]" 1
711 1 54 ASP QB 1 55 ILE H 3.740 . 4.120 3.022 1.895 4.077 . 0 0 "[ . 1 . 2]" 1
712 1 54 ASP QB 1 61 VAL HA 5.000 . 5.500 3.435 1.740 5.068 0.060 14 0 "[ . 1 . 2]" 1
713 1 54 ASP QB 1 61 VAL HB 3.500 . 3.860 3.753 2.786 4.032 0.172 14 0 "[ . 1 . 2]" 1
714 1 55 ILE H 1 55 ILE HB 3.850 . 4.250 3.943 3.612 4.044 . 0 0 "[ . 1 . 2]" 1
715 1 55 ILE H 1 55 ILE MD 5.000 . 5.800 4.065 1.804 4.751 . 0 0 "[ . 1 . 2]" 1
716 1 55 ILE H 1 55 ILE QG 3.220 . 3.550 2.870 2.063 3.545 . 0 0 "[ . 1 . 2]" 1
717 1 55 ILE H 1 56 ASP H 5.000 . 5.500 3.072 1.862 4.692 . 0 0 "[ . 1 . 2]" 1
718 1 55 ILE H 1 56 ASP QB 5.000 . 5.500 4.901 4.335 5.496 . 0 0 "[ . 1 . 2]" 1
719 1 55 ILE H 1 60 GLN HA 5.000 . 5.500 4.485 2.257 5.587 0.087 6 0 "[ . 1 . 2]" 1
720 1 55 ILE QG 1 56 ASP H 4.610 . 5.080 3.464 1.837 4.447 . 0 0 "[ . 1 . 2]" 1
721 1 55 ILE QG 1 57 GLY H 3.470 . 3.820 3.472 1.989 3.970 0.150 4 0 "[ . 1 . 2]" 1
722 1 55 ILE MG 1 56 ASP H 5.000 . 5.800 4.158 3.554 4.390 . 0 0 "[ . 1 . 2]" 1
723 1 55 ILE MG 1 57 GLY H 5.000 . 5.800 5.403 4.493 5.819 0.019 6 0 "[ . 1 . 2]" 1
724 1 56 ASP H 1 57 GLY H 3.760 . 4.140 3.519 1.808 4.225 0.085 10 0 "[ . 1 . 2]" 1
725 1 56 ASP QB 1 58 ASP H 5.000 . 5.500 5.244 2.942 5.632 0.132 17 0 "[ . 1 . 2]" 1
726 1 58 ASP H 1 59 GLY H 4.460 . 4.910 3.617 2.019 4.637 . 0 0 "[ . 1 . 2]" 1
727 1 59 GLY QA 1 60 GLN HA 5.000 . 5.500 4.193 4.067 4.606 . 0 0 "[ . 1 . 2]" 1
728 1 59 GLY QA 1 60 GLN QG 3.850 . 4.250 3.900 3.611 4.279 0.029 14 0 "[ . 1 . 2]" 1
729 1 59 GLY QA 1 62 ASN H 5.000 . 5.500 4.917 4.380 5.520 0.020 12 0 "[ . 1 . 2]" 1
730 1 60 GLN HE22 1 60 GLN QG 3.000 . 3.300 3.291 3.274 3.338 0.038 5 0 "[ . 1 . 2]" 1
731 1 61 VAL H 1 61 VAL QG 2.560 . 3.120 1.923 1.769 2.424 0.031 12 0 "[ . 1 . 2]" 1
732 1 61 VAL H 1 62 ASN H 5.000 . 5.500 4.101 3.699 4.447 . 0 0 "[ . 1 . 2]" 1
733 1 61 VAL H 1 62 ASN QB 5.000 . 5.500 5.166 4.799 5.529 0.029 15 0 "[ . 1 . 2]" 1
734 1 61 VAL HA 1 62 ASN H 2.840 . 3.140 2.236 2.193 2.291 . 0 0 "[ . 1 . 2]" 1
735 1 61 VAL HB 1 66 PHE H 5.000 . 5.500 5.288 4.212 5.621 0.121 4 0 "[ . 1 . 2]" 1
736 1 61 VAL QG 1 62 ASN H 2.680 . 3.250 3.156 2.768 3.366 0.116 3 0 "[ . 1 . 2]" 1
737 1 61 VAL QG 1 62 ASN HA 5.000 . 5.800 3.955 3.396 4.591 . 0 0 "[ . 1 . 2]" 1
738 1 61 VAL QG 1 63 TYR HA 5.000 . 5.800 4.452 3.490 5.487 . 0 0 "[ . 1 . 2]" 1
739 1 61 VAL QG 1 65 GLU H 5.000 . 5.800 4.329 3.639 4.990 . 0 0 "[ . 1 . 2]" 1
740 1 61 VAL QG 1 66 PHE H 3.330 . 3.980 3.257 2.522 4.056 0.076 1 0 "[ . 1 . 2]" 1
741 1 61 VAL QG 1 66 PHE HA 5.000 . 5.800 2.424 1.798 3.514 0.002 11 0 "[ . 1 . 2]" 1
742 1 61 VAL QG 1 66 PHE QB 5.000 . 5.800 2.283 1.716 3.265 0.084 10 0 "[ . 1 . 2]" 1
743 1 61 VAL QG 1 66 PHE QD 2.490 . 3.040 2.816 2.095 3.104 0.064 14 0 "[ . 1 . 2]" 1
744 1 61 VAL QG 1 66 PHE QE 5.000 . 5.800 4.217 3.652 4.665 . 0 0 "[ . 1 . 2]" 1
745 1 61 VAL QG 1 69 MET QB 5.000 . 5.800 4.585 3.347 5.790 . 0 0 "[ . 1 . 2]" 1
746 1 62 ASN H 1 62 ASN QB 3.080 . 3.390 2.815 2.447 3.164 . 0 0 "[ . 1 . 2]" 1
747 1 62 ASN H 1 64 GLU QG 5.000 . 5.500 5.528 5.502 5.563 0.063 15 0 "[ . 1 . 2]" 1
748 1 62 ASN H 1 65 GLU H 3.810 . 4.200 3.644 3.162 4.056 . 0 0 "[ . 1 . 2]" 1
749 1 62 ASN H 1 65 GLU QB 2.960 . 3.260 2.635 1.896 3.412 0.152 16 0 "[ . 1 . 2]" 1
750 1 62 ASN H 1 66 PHE QB 5.000 . 5.500 4.362 3.523 4.878 . 0 0 "[ . 1 . 2]" 1
751 1 62 ASN HA 1 63 TYR QD 5.000 . 5.500 2.981 2.201 4.467 . 0 0 "[ . 1 . 2]" 1
752 1 62 ASN HA 1 63 TYR QE 5.000 . 5.500 4.205 3.579 5.360 . 0 0 "[ . 1 . 2]" 1
753 1 62 ASN QB 1 66 PHE QB 5.000 . 5.500 5.071 4.703 5.555 0.055 8 0 "[ . 1 . 2]" 1
754 1 62 ASN QD 1 65 GLU QB 5.000 . 5.800 2.077 1.777 2.730 0.023 13 0 "[ . 1 . 2]" 1
755 1 62 ASN QD 1 66 PHE H 5.000 . 5.800 3.436 2.658 4.521 . 0 0 "[ . 1 . 2]" 1
756 1 62 ASN HD22 1 64 GLU QG 5.000 . 5.800 3.585 1.890 4.507 . 0 0 "[ . 1 . 2]" 1
757 1 62 ASN HD22 1 65 GLU HA 3.710 . 4.080 4.094 3.792 4.218 0.138 11 0 "[ . 1 . 2]" 1
758 1 63 TYR H 1 64 GLU H 5.000 . 5.500 3.210 2.275 4.119 . 0 0 "[ . 1 . 2]" 1
759 1 63 TYR HB2 1 63 TYR QD 2.980 . 3.280 2.656 2.374 2.787 . 0 0 "[ . 1 . 2]" 1
760 1 63 TYR HB2 1 64 GLU QG 5.000 . 5.500 3.291 2.807 5.554 0.054 10 0 "[ . 1 . 2]" 1
761 1 63 TYR HB2 1 65 GLU H 5.000 . 5.500 4.574 4.143 5.042 . 0 0 "[ . 1 . 2]" 1
762 1 63 TYR HB3 1 64 GLU H 3.150 . 3.470 3.118 2.308 3.604 0.134 14 0 "[ . 1 . 2]" 1
763 1 63 TYR HB3 1 64 GLU QG 5.000 . 5.500 4.104 3.374 5.688 0.188 20 0 "[ . 1 . 2]" 1
764 1 63 TYR HB3 1 65 GLU H 5.000 . 5.500 5.076 4.586 5.456 . 0 0 "[ . 1 . 2]" 1
765 1 63 TYR QD 1 64 GLU HA 5.000 . 5.500 5.744 5.619 5.812 0.312 13 0 "[ . 1 . 2]" 1
766 1 63 TYR QD 1 66 PHE QE 5.000 . 5.500 5.434 4.545 5.704 0.204 20 0 "[ . 1 . 2]" 1
767 1 64 GLU H 1 64 GLU QB 2.570 . 2.830 2.741 2.036 2.861 0.031 16 0 "[ . 1 . 2]" 1
768 1 64 GLU H 1 65 GLU H 5.000 . 5.500 2.806 2.584 2.974 . 0 0 "[ . 1 . 2]" 1
769 1 64 GLU H 1 66 PHE H 3.530 . 3.890 3.920 3.720 4.044 0.154 9 0 "[ . 1 . 2]" 1
770 1 64 GLU H 1 67 VAL MG1 3.650 . 4.320 4.319 4.032 4.380 0.060 19 0 "[ . 1 . 2]" 1
771 1 64 GLU HA 1 64 GLU QB 2.440 . 2.690 2.265 2.163 2.317 . 0 0 "[ . 1 . 2]" 1
772 1 64 GLU HA 1 64 GLU QG 2.520 . 2.780 2.609 2.519 3.018 0.238 20 0 "[ . 1 . 2]" 1
773 1 64 GLU HA 1 67 VAL MG1 3.840 . 4.540 2.436 2.124 2.764 . 0 0 "[ . 1 . 2]" 1
774 1 65 GLU H 1 66 PHE H 5.000 . 5.500 2.133 2.056 2.317 . 0 0 "[ . 1 . 2]" 1
775 1 65 GLU H 1 66 PHE QB 3.550 . 3.910 3.893 3.825 3.973 0.063 3 0 "[ . 1 . 2]" 1
776 1 65 GLU HA 1 66 PHE H 5.000 . 5.500 3.460 3.326 3.514 . 0 0 "[ . 1 . 2]" 1
777 1 65 GLU HA 1 67 VAL MG1 3.950 . 4.360 3.297 2.956 3.662 . 0 0 "[ . 1 . 2]" 1
778 1 65 GLU HA 1 68 GLN HE21 3.670 . 4.040 3.869 3.393 4.060 0.020 14 0 "[ . 1 . 2]" 1
779 1 65 GLU QB 1 66 PHE H 3.230 . 3.560 2.973 2.737 3.577 0.017 16 0 "[ . 1 . 2]" 1
780 1 65 GLU QB 1 66 PHE HA 5.000 . 5.500 4.038 3.864 4.804 . 0 0 "[ . 1 . 2]" 1
781 1 65 GLU QB 1 66 PHE QB 5.000 . 5.500 4.187 3.959 4.984 . 0 0 "[ . 1 . 2]" 1
782 1 65 GLU QB 1 69 MET QG 5.000 . 5.500 5.131 4.784 5.505 0.005 15 0 "[ . 1 . 2]" 1
783 1 66 PHE H 1 67 VAL H 5.000 . 5.500 2.573 2.248 2.768 . 0 0 "[ . 1 . 2]" 1
784 1 66 PHE H 1 67 VAL HB 5.000 . 5.500 5.083 4.551 5.432 . 0 0 "[ . 1 . 2]" 1
785 1 66 PHE H 1 68 GLN H 5.000 . 5.500 4.135 3.745 4.457 . 0 0 "[ . 1 . 2]" 1
786 1 66 PHE HA 1 66 PHE QD 2.740 . 3.020 1.995 1.842 2.391 . 0 0 "[ . 1 . 2]" 1
787 1 66 PHE HA 1 66 PHE QE 5.000 . 5.500 4.328 4.193 4.570 . 0 0 "[ . 1 . 2]" 1
788 1 66 PHE HA 1 68 GLN QB 5.000 . 5.500 4.432 4.111 5.452 . 0 0 "[ . 1 . 2]" 1
789 1 66 PHE HA 1 69 MET QB 5.000 . 5.500 4.037 1.796 4.851 0.004 17 0 "[ . 1 . 2]" 1
790 1 66 PHE HA 1 69 MET QG 2.420 . 2.670 2.707 2.514 2.901 0.231 17 0 "[ . 1 . 2]" 1
791 1 66 PHE QB 1 66 PHE QD 2.790 . 3.080 2.248 2.157 2.335 . 0 0 "[ . 1 . 2]" 1
792 1 66 PHE QB 1 67 VAL H 3.110 . 3.430 2.952 2.539 3.422 . 0 0 "[ . 1 . 2]" 1
793 1 66 PHE QB 1 67 VAL HA 5.000 . 5.500 4.274 4.097 4.506 . 0 0 "[ . 1 . 2]" 1
794 1 66 PHE QD 1 67 VAL H 4.760 . 5.250 4.295 4.008 4.532 . 0 0 "[ . 1 . 2]" 1
795 1 66 PHE QD 1 67 VAL HA 5.000 . 5.500 4.470 4.203 4.655 . 0 0 "[ . 1 . 2]" 1
796 1 66 PHE QD 1 69 MET QB 5.000 . 5.500 3.140 1.852 4.041 . 0 0 "[ . 1 . 2]" 1
797 1 66 PHE QD 1 69 MET QG 2.510 . 2.770 2.052 1.867 2.372 . 0 0 "[ . 1 . 2]" 1
798 1 66 PHE QD 1 70 MET QB 5.000 . 5.500 5.337 4.248 5.600 0.100 7 0 "[ . 1 . 2]" 1
799 1 66 PHE QE 1 67 VAL HA 5.000 . 5.500 5.344 4.737 5.585 0.085 7 0 "[ . 1 . 2]" 1
800 1 66 PHE QE 1 69 MET QG 2.770 . 3.050 3.114 2.941 3.221 0.171 5 0 "[ . 1 . 2]" 1
801 1 66 PHE QE 1 70 MET QB 5.000 . 5.500 4.749 3.392 5.145 . 0 0 "[ . 1 . 2]" 1
802 1 66 PHE HZ 1 70 MET QB 5.000 . 5.500 5.145 4.024 5.564 0.064 2 0 "[ . 1 . 2]" 1
803 1 66 PHE HZ 1 70 MET ME 5.000 . 5.800 3.435 2.049 5.367 . 0 0 "[ . 1 . 2]" 1
804 1 67 VAL H 1 67 VAL MG1 3.080 . 3.690 1.898 1.820 2.026 . 0 0 "[ . 1 . 2]" 1
805 1 67 VAL H 1 68 GLN H 3.590 . 3.950 2.522 2.237 2.673 . 0 0 "[ . 1 . 2]" 1
806 1 67 VAL H 1 70 MET QG 3.930 . 4.330 4.320 4.037 4.499 0.169 5 0 "[ . 1 . 2]" 1
807 1 67 VAL HA 1 67 VAL MG1 2.830 . 3.420 3.178 3.169 3.186 . 0 0 "[ . 1 . 2]" 1
808 1 67 VAL HA 1 68 GLN H 3.820 . 4.210 3.418 3.264 3.555 . 0 0 "[ . 1 . 2]" 1
809 1 67 VAL HA 1 69 MET H 4.110 . 4.530 3.877 3.472 4.360 . 0 0 "[ . 1 . 2]" 1
810 1 67 VAL HA 1 70 MET H 3.670 . 4.040 3.312 2.898 3.881 . 0 0 "[ . 1 . 2]" 1
811 1 67 VAL HA 1 70 MET QB 3.960 . 4.360 3.618 2.705 4.110 . 0 0 "[ . 1 . 2]" 1
812 1 67 VAL HA 1 70 MET ME 3.530 . 3.890 3.456 1.860 3.942 0.052 18 0 "[ . 1 . 2]" 1
813 1 67 VAL HA 1 71 THR H 5.000 . 5.500 4.451 3.926 5.026 . 0 0 "[ . 1 . 2]" 1
814 1 68 GLN HA 1 68 GLN QB 2.370 . 2.610 2.379 2.301 2.526 . 0 0 "[ . 1 . 2]" 1
815 1 68 GLN HA 1 68 GLN QG 2.410 . 2.660 2.342 2.047 2.554 . 0 0 "[ . 1 . 2]" 1
816 1 68 GLN HA 1 71 THR H 5.000 . 5.500 3.600 3.269 4.165 . 0 0 "[ . 1 . 2]" 1
817 1 68 GLN HA 1 71 THR MG 3.230 . 3.860 2.738 2.080 3.778 . 0 0 "[ . 1 . 2]" 1
818 1 68 GLN HA 1 72 ALA H 5.000 . 5.500 4.363 3.596 5.510 0.010 14 0 "[ . 1 . 2]" 1
819 1 68 GLN QG 1 70 MET H 5.000 . 5.500 5.291 4.477 5.540 0.040 8 0 "[ . 1 . 2]" 1
820 1 69 MET H 1 69 MET ME 2.650 . 3.220 3.251 3.125 3.389 0.169 11 0 "[ . 1 . 2]" 1
821 1 69 MET H 1 70 MET H 5.000 . 5.500 2.454 2.266 2.759 . 0 0 "[ . 1 . 2]" 1
822 1 69 MET HA 1 69 MET QG 2.510 . 2.770 2.799 2.587 3.044 0.274 6 0 "[ . 1 . 2]" 1
823 1 69 MET HA 1 70 MET H 3.240 . 3.570 3.504 3.381 3.576 0.006 4 0 "[ . 1 . 2]" 1
824 1 69 MET QB 1 70 MET H 5.000 . 5.500 2.708 2.092 3.464 . 0 0 "[ . 1 . 2]" 1
825 1 69 MET QG 1 70 MET HA 5.000 . 5.500 5.339 3.607 5.669 0.169 14 0 "[ . 1 . 2]" 1
826 1 69 MET QG 1 72 ALA H 5.000 . 5.500 5.518 5.362 5.604 0.104 5 0 "[ . 1 . 2]" 1
827 1 70 MET H 1 70 MET QG 3.380 . 3.720 1.898 1.745 2.359 0.055 10 0 "[ . 1 . 2]" 1
828 1 70 MET H 1 71 THR H 3.170 . 3.490 2.591 2.179 2.984 . 0 0 "[ . 1 . 2]" 1
829 1 70 MET H 1 72 ALA H 5.000 . 5.500 4.069 3.671 4.564 . 0 0 "[ . 1 . 2]" 1
830 1 70 MET HA 1 70 MET QG 3.500 . 3.860 3.075 2.324 3.409 . 0 0 "[ . 1 . 2]" 1
831 1 70 MET HA 1 71 THR H 5.000 . 5.500 3.450 3.216 3.587 . 0 0 "[ . 1 . 2]" 1
832 1 70 MET QB 1 71 THR H 5.000 . 5.500 3.236 2.073 3.936 . 0 0 "[ . 1 . 2]" 1
833 1 70 MET QB 1 71 THR MG 3.280 . 3.920 3.420 2.247 3.927 0.007 10 0 "[ . 1 . 2]" 1
834 1 70 MET QB 1 72 ALA H 5.000 . 5.500 4.951 4.217 5.492 . 0 0 "[ . 1 . 2]" 1
835 1 71 THR H 1 71 THR MG 3.040 . 3.650 2.177 1.828 2.617 . 0 0 "[ . 1 . 2]" 1
836 1 71 THR H 1 72 ALA H 5.000 . 5.500 2.378 1.853 3.014 . 0 0 "[ . 1 . 2]" 1
837 1 71 THR HA 1 72 ALA H 2.730 . 3.010 2.970 2.781 3.149 0.139 5 0 "[ . 1 . 2]" 1
838 1 71 THR HA 1 72 ALA MB 3.940 . 4.650 4.563 4.309 4.765 0.115 5 0 "[ . 1 . 2]" 1
839 1 71 THR MG 1 72 ALA H 3.300 . 3.940 3.494 3.215 3.978 0.038 5 0 "[ . 1 . 2]" 1
840 1 72 ALA H 1 72 ALA MB 2.730 . 3.310 2.112 2.052 2.240 . 0 0 "[ . 1 . 2]" 1
841 1 72 ALA HA 1 73 LYS H 5.000 . 5.500 2.840 2.193 3.559 . 0 0 "[ . 1 . 2]" 1
842 1 73 LYS H 1 73 LYS QD 5.000 . 5.800 3.533 1.903 4.802 . 0 0 "[ . 1 . 2]" 1
843 1 73 LYS H 1 73 LYS QE 3.170 . 3.490 3.020 1.848 3.493 0.003 14 0 "[ . 1 . 2]" 1
844 1 73 LYS H 1 73 LYS QG 3.180 . 3.500 2.543 1.848 3.433 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 4:46:00 AM GMT (wattos1)