NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371605 |
1cmg   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cmg
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 967
_Distance_constraint_stats_list.Viol_count 2716
_Distance_constraint_stats_list.Viol_total 3005.040
_Distance_constraint_stats_list.Viol_max 0.324
_Distance_constraint_stats_list.Viol_rms 0.0257
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0553
_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 0.116 0.046 19 0 "[ . 1 . 2]"
1 3 ASP 0.209 0.073 5 0 "[ . 1 . 2]"
1 4 THR 0.385 0.070 3 0 "[ . 1 . 2]"
1 5 ASP 1.439 0.301 11 0 "[ . 1 . 2]"
1 6 SER 2.928 0.324 5 0 "[ . 1 . 2]"
1 7 GLU 4.504 0.324 5 0 "[ . 1 . 2]"
1 8 GLU 4.972 0.214 14 0 "[ . 1 . 2]"
1 9 GLU 0.517 0.106 18 0 "[ . 1 . 2]"
1 10 ILE 5.655 0.137 13 0 "[ . 1 . 2]"
1 11 ARG 1.911 0.111 11 0 "[ . 1 . 2]"
1 12 GLU 2.647 0.128 15 0 "[ . 1 . 2]"
1 13 ALA 2.410 0.103 7 0 "[ . 1 . 2]"
1 14 PHE 14.549 0.145 14 0 "[ . 1 . 2]"
1 15 ARG 8.643 0.128 15 0 "[ . 1 . 2]"
1 16 VAL 2.448 0.103 7 0 "[ . 1 . 2]"
1 17 PHE 1.655 0.118 18 0 "[ . 1 . 2]"
1 18 ASP 4.139 0.093 18 0 "[ . 1 . 2]"
1 19 LYS 7.872 0.161 20 0 "[ . 1 . 2]"
1 20 ASP 2.255 0.156 16 0 "[ . 1 . 2]"
1 21 GLY 2.462 0.139 20 0 "[ . 1 . 2]"
1 22 ASN 0.488 0.053 17 0 "[ . 1 . 2]"
1 23 GLY 0.421 0.108 10 0 "[ . 1 . 2]"
1 24 TYR 8.774 0.221 20 0 "[ . 1 . 2]"
1 25 ILE 9.553 0.201 11 0 "[ . 1 . 2]"
1 26 SER 0.199 0.051 10 0 "[ . 1 . 2]"
1 27 ALA 1.086 0.055 10 0 "[ . 1 . 2]"
1 28 ALA 3.422 0.129 10 0 "[ . 1 . 2]"
1 29 GLU 1.344 0.092 17 0 "[ . 1 . 2]"
1 30 LEU 0.915 0.055 10 0 "[ . 1 . 2]"
1 31 ARG 2.686 0.213 18 0 "[ . 1 . 2]"
1 32 HIS 1.278 0.312 17 0 "[ . 1 . 2]"
1 33 VAL 3.368 0.312 17 0 "[ . 1 . 2]"
1 34 MET 1.767 0.137 17 0 "[ . 1 . 2]"
1 35 THR 3.964 0.216 10 0 "[ . 1 . 2]"
1 36 ASN 0.928 0.230 17 0 "[ . 1 . 2]"
1 37 LEU 1.388 0.122 16 0 "[ . 1 . 2]"
1 38 GLY 0.271 0.059 3 0 "[ . 1 . 2]"
1 39 GLU 0.883 0.140 10 0 "[ . 1 . 2]"
1 40 LYS 0.590 0.230 12 0 "[ . 1 . 2]"
1 41 LEU 4.677 0.172 19 0 "[ . 1 . 2]"
1 42 THR 2.435 0.158 1 0 "[ . 1 . 2]"
1 43 ASP 3.331 0.135 1 0 "[ . 1 . 2]"
1 44 GLU 2.375 0.139 14 0 "[ . 1 . 2]"
1 45 GLU 5.848 0.216 20 0 "[ . 1 . 2]"
1 46 VAL 4.659 0.201 15 0 "[ . 1 . 2]"
1 47 ASP 2.772 0.122 8 0 "[ . 1 . 2]"
1 48 GLU 0.838 0.080 10 0 "[ . 1 . 2]"
1 49 MET 5.735 0.223 20 0 "[ . 1 . 2]"
1 50 ILE 9.417 0.184 13 0 "[ . 1 . 2]"
1 51 ARG 2.912 0.162 10 0 "[ . 1 . 2]"
1 52 GLU 1.478 0.115 2 0 "[ . 1 . 2]"
1 53 ALA 1.643 0.162 2 0 "[ . 1 . 2]"
1 54 ASP 1.106 0.162 2 0 "[ . 1 . 2]"
1 55 ILE 6.670 0.167 3 0 "[ . 1 . 2]"
1 56 ASP 2.300 0.120 19 0 "[ . 1 . 2]"
1 57 GLY 3.062 0.171 1 0 "[ . 1 . 2]"
1 58 ASP 6.612 0.158 16 0 "[ . 1 . 2]"
1 59 GLY 6.268 0.171 1 0 "[ . 1 . 2]"
1 60 GLN 3.592 0.166 8 0 "[ . 1 . 2]"
1 61 VAL 8.093 0.201 11 0 "[ . 1 . 2]"
1 62 ASN 6.634 0.254 6 0 "[ . 1 . 2]"
1 63 TYR 8.173 0.254 6 0 "[ . 1 . 2]"
1 64 GLU 2.460 0.106 13 0 "[ . 1 . 2]"
1 65 GLU 1.112 0.118 13 0 "[ . 1 . 2]"
1 66 PHE 7.218 0.145 16 0 "[ . 1 . 2]"
1 67 VAL 2.535 0.106 13 0 "[ . 1 . 2]"
1 68 GLN 1.607 0.162 14 0 "[ . 1 . 2]"
1 69 MET 0.150 0.102 7 0 "[ . 1 . 2]"
1 70 MET 4.697 0.179 12 0 "[ . 1 . 2]"
1 71 THR 1.321 0.255 2 0 "[ . 1 . 2]"
1 72 ALA 0.322 0.162 10 0 "[ . 1 . 2]"
1 73 LYS 0.022 0.019 4 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 2.320 . 2.550 2.411 2.187 2.596 0.046 19 0 "[ . 1 . 2]" 1
2 1 2 LYS QB 1 3 ASP H 5.000 . 5.500 3.306 2.215 4.032 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS QG 1 3 ASP H 5.000 . 5.500 3.582 2.512 4.559 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASP H 1 3 ASP QB 2.760 . 3.040 2.689 2.151 3.113 0.073 5 0 "[ . 1 . 2]" 1
5 1 3 ASP H 1 4 THR H 5.000 . 5.500 3.341 1.982 4.649 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP HA 1 3 ASP QB 2.440 . 2.680 2.416 2.192 2.547 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP HA 1 4 THR H 5.000 . 5.500 2.922 2.239 3.587 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASP QB 1 4 THR H 5.000 . 5.500 3.008 1.826 4.047 . 0 0 "[ . 1 . 2]" 1
9 1 4 THR H 1 4 THR MG 3.300 . 3.930 3.312 2.291 3.986 0.056 17 0 "[ . 1 . 2]" 1
10 1 4 THR H 1 5 ASP H 5.000 . 5.500 4.211 2.376 4.699 . 0 0 "[ . 1 . 2]" 1
11 1 4 THR HA 1 5 ASP H 2.600 . 2.860 2.415 2.184 2.867 0.007 12 0 "[ . 1 . 2]" 1
12 1 4 THR HA 1 6 SER H 5.000 . 5.500 4.713 3.028 5.570 0.070 3 0 "[ . 1 . 2]" 1
13 1 4 THR HB 1 5 ASP H 5.000 . 5.500 3.468 1.895 4.649 . 0 0 "[ . 1 . 2]" 1
14 1 4 THR MG 1 5 ASP H 2.980 . 3.580 3.154 1.904 3.631 0.051 20 0 "[ . 1 . 2]" 1
15 1 4 THR MG 1 6 SER H 5.000 . 5.800 4.422 3.108 5.808 0.008 17 0 "[ . 1 . 2]" 1
16 1 5 ASP H 1 5 ASP QB 2.490 . 2.740 2.587 2.265 3.041 0.301 11 0 "[ . 1 . 2]" 1
17 1 5 ASP H 1 6 SER H 5.000 . 5.500 2.940 1.821 4.411 . 0 0 "[ . 1 . 2]" 1
18 1 5 ASP HA 1 6 SER H 5.000 . 5.500 3.295 2.177 3.601 . 0 0 "[ . 1 . 2]" 1
19 1 5 ASP QB 1 6 SER H 3.140 . 3.450 2.626 1.793 3.559 0.109 5 0 "[ . 1 . 2]" 1
20 1 5 ASP QB 1 7 GLU H 5.000 . 5.500 3.841 2.110 5.454 . 0 0 "[ . 1 . 2]" 1
21 1 5 ASP QB 1 9 GLU H 5.000 . 5.500 5.355 4.232 5.606 0.106 18 0 "[ . 1 . 2]" 1
22 1 6 SER H 1 6 SER QB 2.700 . 2.970 2.849 2.277 3.054 0.084 2 0 "[ . 1 . 2]" 1
23 1 6 SER H 1 7 GLU H 3.340 . 3.670 2.858 1.815 3.726 0.056 19 0 "[ . 1 . 2]" 1
24 1 6 SER H 1 7 GLU QB 5.000 . 5.500 4.672 3.467 5.518 0.018 6 0 "[ . 1 . 2]" 1
25 1 6 SER H 1 7 GLU QG 5.000 . 5.500 4.440 3.252 5.505 0.005 4 0 "[ . 1 . 2]" 1
26 1 6 SER H 1 9 GLU H 5.000 . 5.500 4.942 4.369 5.585 0.085 1 0 "[ . 1 . 2]" 1
27 1 6 SER H 1 9 GLU QB 5.000 . 5.500 4.504 3.128 5.516 0.016 3 0 "[ . 1 . 2]" 1
28 1 6 SER HA 1 7 GLU H 2.810 . 3.090 2.862 2.183 3.414 0.324 5 0 "[ . 1 . 2]" 1
29 1 6 SER HA 1 8 GLU H 5.000 . 5.500 3.986 3.274 5.501 0.001 11 0 "[ . 1 . 2]" 1
30 1 6 SER HA 1 9 GLU H 5.000 . 5.500 3.720 2.921 5.116 . 0 0 "[ . 1 . 2]" 1
31 1 6 SER QB 1 7 GLU H 3.400 . 3.740 3.633 2.806 3.955 0.215 2 0 "[ . 1 . 2]" 1
32 1 6 SER QB 1 9 GLU H 5.000 . 5.500 4.134 2.125 5.383 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLU H 1 7 GLU QB 2.380 . 2.620 2.435 2.122 2.657 0.037 15 0 "[ . 1 . 2]" 1
34 1 7 GLU H 1 7 GLU QG 3.180 . 3.500 2.456 1.862 3.377 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU H 1 8 GLU H 3.020 . 3.320 2.555 2.205 3.365 0.045 20 0 "[ . 1 . 2]" 1
36 1 7 GLU H 1 9 GLU H 5.000 . 5.500 3.774 3.077 4.557 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU HA 1 8 GLU H 3.020 . 3.320 3.450 3.385 3.534 0.214 14 0 "[ . 1 . 2]" 1
38 1 8 GLU H 1 8 GLU HA 2.560 . 2.820 2.923 2.879 2.944 0.124 15 0 "[ . 1 . 2]" 1
39 1 8 GLU H 1 9 GLU H 2.890 . 3.180 2.431 2.223 2.885 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLU H 1 9 GLU QB 5.000 . 5.500 4.120 3.902 4.438 . 0 0 "[ . 1 . 2]" 1
41 1 8 GLU H 1 10 ILE H 5.000 . 5.500 4.434 3.953 4.764 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLU H 1 10 ILE MD 5.000 . 5.800 4.996 4.156 5.825 0.025 7 0 "[ . 1 . 2]" 1
43 1 8 GLU HA 1 8 GLU QG 2.120 . 2.330 2.169 1.937 2.361 0.031 8 0 "[ . 1 . 2]" 1
44 1 8 GLU HA 1 11 ARG H 2.920 . 3.210 3.103 2.741 3.318 0.108 19 0 "[ . 1 . 2]" 1
45 1 9 GLU H 1 9 GLU QB 2.330 . 2.560 2.145 2.063 2.352 . 0 0 "[ . 1 . 2]" 1
46 1 9 GLU HA 1 9 GLU QG 2.270 . 2.500 2.135 1.895 2.485 . 0 0 "[ . 1 . 2]" 1
47 1 9 GLU QB 1 10 ILE H 5.000 . 5.500 2.896 2.306 3.492 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLU HG2 1 10 ILE H 5.000 . 5.500 4.916 4.152 5.488 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLU HG3 1 10 ILE H 5.000 . 5.500 5.070 4.386 5.439 . 0 0 "[ . 1 . 2]" 1
50 1 10 ILE H 1 10 ILE HA 2.580 . 2.840 2.920 2.867 2.973 0.133 4 0 "[ . 1 . 2]" 1
51 1 10 ILE H 1 10 ILE MD 5.000 . 5.800 2.611 1.932 3.489 . 0 0 "[ . 1 . 2]" 1
52 1 10 ILE H 1 10 ILE QG 2.350 . 2.590 2.294 1.973 2.604 0.014 12 0 "[ . 1 . 2]" 1
53 1 10 ILE HA 1 10 ILE MG 2.310 . 2.840 2.265 2.140 2.441 . 0 0 "[ . 1 . 2]" 1
54 1 10 ILE HA 1 11 ARG H 5.000 . 5.500 3.554 3.532 3.577 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE HA 1 13 ALA H 2.910 . 3.200 3.211 3.021 3.257 0.057 6 0 "[ . 1 . 2]" 1
56 1 10 ILE HA 1 14 PHE H 5.000 . 5.500 3.910 3.645 4.094 . 0 0 "[ . 1 . 2]" 1
57 1 10 ILE HA 1 66 PHE QE 2.830 . 3.110 3.065 2.464 3.181 0.071 9 0 "[ . 1 . 2]" 1
58 1 10 ILE HB 1 10 ILE MD 2.490 . 3.040 2.232 1.879 3.171 0.131 15 0 "[ . 1 . 2]" 1
59 1 10 ILE HB 1 10 ILE QG 2.180 . 2.400 2.458 2.188 2.537 0.137 13 0 "[ . 1 . 2]" 1
60 1 10 ILE HB 1 11 ARG H 2.470 . 2.720 2.596 2.368 2.732 0.012 3 0 "[ . 1 . 2]" 1
61 1 10 ILE MD 1 10 ILE QG 2.220 . 2.740 1.893 1.877 1.915 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE MD 1 10 ILE MG 2.330 . 3.160 2.585 1.830 3.075 . 0 0 "[ . 1 . 2]" 1
63 1 10 ILE MD 1 11 ARG H 5.000 . 5.800 3.820 3.207 4.568 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE MD 1 12 GLU H 5.000 . 5.800 5.638 5.200 5.882 0.082 11 0 "[ . 1 . 2]" 1
65 1 10 ILE MD 1 67 VAL MG2 5.000 . 6.100 3.818 3.097 4.531 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE MD 1 71 THR MG 2.780 . 3.660 2.975 2.046 3.715 0.055 2 0 "[ . 1 . 2]" 1
67 1 10 ILE MG 1 11 ARG H 3.120 . 3.730 3.660 3.467 3.753 0.023 7 0 "[ . 1 . 2]" 1
68 1 10 ILE MG 1 11 ARG HA 3.300 . 3.930 3.832 3.550 3.972 0.042 14 0 "[ . 1 . 2]" 1
69 1 10 ILE MG 1 12 GLU H 5.000 . 5.800 4.879 4.493 5.174 . 0 0 "[ . 1 . 2]" 1
70 1 10 ILE MG 1 13 ALA H 5.000 . 5.800 4.527 4.382 4.710 . 0 0 "[ . 1 . 2]" 1
71 1 10 ILE MG 1 14 PHE H 5.000 . 5.800 3.884 3.570 4.242 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE MG 1 63 TYR QD 3.600 . 4.260 3.884 3.439 4.258 . 0 0 "[ . 1 . 2]" 1
73 1 10 ILE MG 1 63 TYR QE 2.490 . 3.040 2.474 1.988 2.785 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE MG 1 66 PHE QD 2.380 . 2.920 2.637 2.432 2.921 0.001 4 0 "[ . 1 . 2]" 1
75 1 10 ILE MG 1 66 PHE QE 2.400 . 2.940 2.218 1.896 2.724 . 0 0 "[ . 1 . 2]" 1
76 1 10 ILE MG 1 66 PHE HZ 5.000 . 5.800 4.201 3.882 4.648 . 0 0 "[ . 1 . 2]" 1
77 1 10 ILE MG 1 67 VAL H 3.830 . 4.510 4.134 3.888 4.450 . 0 0 "[ . 1 . 2]" 1
78 1 10 ILE MG 1 67 VAL HA 2.560 . 3.120 2.122 1.805 2.505 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE MG 1 67 VAL MG2 2.390 . 3.230 2.005 1.795 2.627 0.005 14 0 "[ . 1 . 2]" 1
80 1 10 ILE MG 1 70 MET QB 5.000 . 5.800 2.274 1.813 2.815 . 0 0 "[ . 1 . 2]" 1
81 1 11 ARG H 1 11 ARG QB 2.310 . 2.540 2.153 2.064 2.405 . 0 0 "[ . 1 . 2]" 1
82 1 11 ARG H 1 11 ARG QD 5.000 . 5.500 4.253 2.832 4.808 . 0 0 "[ . 1 . 2]" 1
83 1 11 ARG H 1 11 ARG QG 3.280 . 3.610 3.193 2.373 3.649 0.039 20 0 "[ . 1 . 2]" 1
84 1 11 ARG H 1 12 GLU QG 5.000 . 5.500 4.171 3.694 4.703 . 0 0 "[ . 1 . 2]" 1
85 1 11 ARG H 1 13 ALA H 5.000 . 5.500 4.328 3.797 4.674 . 0 0 "[ . 1 . 2]" 1
86 1 11 ARG H 1 63 TYR QE 3.670 . 4.040 3.533 3.185 4.009 . 0 0 "[ . 1 . 2]" 1
87 1 11 ARG HA 1 11 ARG QB 2.290 . 2.520 2.514 2.409 2.547 0.027 9 0 "[ . 1 . 2]" 1
88 1 11 ARG HA 1 11 ARG QG 2.740 . 3.010 2.124 1.895 2.440 . 0 0 "[ . 1 . 2]" 1
89 1 11 ARG HA 1 14 PHE H 5.000 . 5.500 4.008 3.682 4.177 . 0 0 "[ . 1 . 2]" 1
90 1 11 ARG HA 1 14 PHE QB 2.930 . 3.220 3.240 2.974 3.331 0.111 11 0 "[ . 1 . 2]" 1
91 1 11 ARG HA 1 14 PHE QD 5.000 . 5.500 4.968 4.691 5.092 . 0 0 "[ . 1 . 2]" 1
92 1 11 ARG HA 1 15 ARG H 5.000 . 5.500 5.066 4.637 5.305 . 0 0 "[ . 1 . 2]" 1
93 1 11 ARG HA 1 63 TYR QD 5.000 . 5.500 3.601 3.270 3.970 . 0 0 "[ . 1 . 2]" 1
94 1 11 ARG HA 1 63 TYR QE 2.300 . 2.530 1.955 1.823 2.165 . 0 0 "[ . 1 . 2]" 1
95 1 11 ARG HA 1 66 PHE QE 5.000 . 5.500 5.288 4.971 5.512 0.012 20 0 "[ . 1 . 2]" 1
96 1 11 ARG QB 1 12 GLU H 2.540 . 2.790 2.734 2.523 2.846 0.056 11 0 "[ . 1 . 2]" 1
97 1 11 ARG QB 1 63 TYR QE 5.000 . 5.500 3.967 3.823 4.260 . 0 0 "[ . 1 . 2]" 1
98 1 11 ARG QD 1 12 GLU H 5.000 . 5.500 4.868 4.265 5.331 . 0 0 "[ . 1 . 2]" 1
99 1 11 ARG QG 1 63 TYR QE 3.010 . 3.310 3.090 2.813 3.262 . 0 0 "[ . 1 . 2]" 1
100 1 11 ARG HG2 1 12 GLU H 5.000 . 5.500 4.851 4.564 5.276 . 0 0 "[ . 1 . 2]" 1
101 1 11 ARG HG3 1 12 GLU H 5.000 . 5.500 5.023 4.517 5.306 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU H 1 13 ALA H 5.000 . 5.500 2.465 2.179 2.629 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU H 1 14 PHE H 5.000 . 5.500 3.753 3.621 3.924 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU HA 1 12 GLU QB 2.100 . 2.310 2.268 2.170 2.384 0.074 6 0 "[ . 1 . 2]" 1
105 1 12 GLU HA 1 14 PHE H 5.000 . 5.500 3.746 3.600 3.892 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLU HA 1 15 ARG H 2.900 . 3.190 3.277 3.219 3.318 0.128 15 0 "[ . 1 . 2]" 1
107 1 12 GLU HA 1 15 ARG QB 2.860 . 3.150 3.038 2.865 3.161 0.011 19 0 "[ . 1 . 2]" 1
108 1 12 GLU HA 1 16 VAL H 5.000 . 5.500 4.249 4.058 4.361 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLU QB 1 13 ALA H 5.000 . 5.500 2.858 2.228 3.590 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLU QB 1 14 PHE H 5.000 . 5.500 4.510 4.251 4.915 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLU QB 1 15 ARG H 5.000 . 5.500 4.768 4.673 4.912 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLU QG 1 13 ALA H 3.800 . 4.180 2.901 1.779 4.093 0.021 13 0 "[ . 1 . 2]" 1
113 1 12 GLU QG 1 14 PHE H 5.000 . 5.500 4.639 4.010 5.291 . 0 0 "[ . 1 . 2]" 1
114 1 13 ALA H 1 13 ALA MB 2.230 . 2.750 2.214 2.056 2.278 . 0 0 "[ . 1 . 2]" 1
115 1 13 ALA H 1 14 PHE H 2.590 . 2.850 2.727 2.474 2.880 0.030 6 0 "[ . 1 . 2]" 1
116 1 13 ALA H 1 14 PHE HA 5.000 . 5.500 5.338 5.130 5.481 . 0 0 "[ . 1 . 2]" 1
117 1 13 ALA H 1 14 PHE HB2 5.000 . 5.500 5.185 4.921 5.357 . 0 0 "[ . 1 . 2]" 1
118 1 13 ALA H 1 14 PHE HB3 5.000 . 5.500 4.954 4.668 5.112 . 0 0 "[ . 1 . 2]" 1
119 1 13 ALA H 1 15 ARG H 5.000 . 5.500 4.688 4.439 4.802 . 0 0 "[ . 1 . 2]" 1
120 1 13 ALA H 1 16 VAL H 5.000 . 5.500 4.762 4.646 4.817 . 0 0 "[ . 1 . 2]" 1
121 1 13 ALA H 1 16 VAL MG1 5.000 . 5.800 5.865 5.804 5.903 0.103 7 0 "[ . 1 . 2]" 1
122 1 13 ALA H 1 16 VAL MG2 5.000 . 5.800 3.799 3.500 4.076 . 0 0 "[ . 1 . 2]" 1
123 1 13 ALA H 1 66 PHE QE 5.000 . 5.500 4.305 4.082 4.560 . 0 0 "[ . 1 . 2]" 1
124 1 13 ALA H 1 66 PHE HZ 5.000 . 5.500 5.054 4.713 5.315 . 0 0 "[ . 1 . 2]" 1
125 1 13 ALA HA 1 13 ALA MB 2.160 . 2.680 2.144 2.115 2.155 . 0 0 "[ . 1 . 2]" 1
126 1 13 ALA HA 1 14 PHE H 5.000 . 5.500 3.484 3.437 3.511 . 0 0 "[ . 1 . 2]" 1
127 1 13 ALA HA 1 16 VAL H 3.010 . 3.310 3.334 3.290 3.361 0.051 20 0 "[ . 1 . 2]" 1
128 1 13 ALA HA 1 16 VAL MG1 3.440 . 4.080 3.550 3.462 3.627 . 0 0 "[ . 1 . 2]" 1
129 1 13 ALA HA 1 16 VAL MG2 2.460 . 3.010 1.933 1.804 2.332 . 0 0 "[ . 1 . 2]" 1
130 1 13 ALA HA 1 17 PHE H 5.000 . 5.500 4.878 4.667 5.066 . 0 0 "[ . 1 . 2]" 1
131 1 13 ALA HA 1 66 PHE HZ 5.000 . 5.500 3.946 3.614 4.234 . 0 0 "[ . 1 . 2]" 1
132 1 13 ALA MB 1 14 PHE H 5.000 . 5.800 2.813 2.659 3.020 . 0 0 "[ . 1 . 2]" 1
133 1 13 ALA MB 1 15 ARG H 5.000 . 5.800 4.915 4.823 4.999 . 0 0 "[ . 1 . 2]" 1
134 1 13 ALA MB 1 16 VAL H 5.000 . 5.800 4.498 4.436 4.564 . 0 0 "[ . 1 . 2]" 1
135 1 13 ALA MB 1 16 VAL MG1 5.000 . 6.100 4.144 4.017 4.256 . 0 0 "[ . 1 . 2]" 1
136 1 13 ALA MB 1 16 VAL MG2 5.000 . 6.100 3.377 3.261 3.640 . 0 0 "[ . 1 . 2]" 1
137 1 13 ALA MB 1 17 PHE QE 3.130 . 3.740 3.497 3.203 3.725 . 0 0 "[ . 1 . 2]" 1
138 1 13 ALA MB 1 66 PHE QE 2.340 . 2.870 2.263 2.049 2.475 . 0 0 "[ . 1 . 2]" 1
139 1 13 ALA MB 1 66 PHE HZ 2.380 . 2.920 2.042 1.866 2.323 . 0 0 "[ . 1 . 2]" 1
140 1 14 PHE H 1 14 PHE HA 2.480 . 2.730 2.849 2.824 2.875 0.145 14 0 "[ . 1 . 2]" 1
141 1 14 PHE H 1 14 PHE QB 2.400 . 2.640 2.275 2.265 2.294 . 0 0 "[ . 1 . 2]" 1
142 1 14 PHE H 1 15 ARG H 2.750 . 3.030 2.773 2.669 2.860 . 0 0 "[ . 1 . 2]" 1
143 1 14 PHE H 1 15 ARG QB 5.000 . 5.500 4.413 4.292 4.507 . 0 0 "[ . 1 . 2]" 1
144 1 14 PHE H 1 16 VAL H 3.910 . 4.300 3.764 3.633 3.926 . 0 0 "[ . 1 . 2]" 1
145 1 14 PHE H 1 63 TYR QD 5.000 . 5.500 4.464 4.237 4.668 . 0 0 "[ . 1 . 2]" 1
146 1 14 PHE H 1 63 TYR QE 3.580 . 3.940 3.900 3.789 3.984 0.044 13 0 "[ . 1 . 2]" 1
147 1 14 PHE H 1 66 PHE QE 2.850 . 3.140 2.999 2.838 3.163 0.023 7 0 "[ . 1 . 2]" 1
148 1 14 PHE HA 1 14 PHE QD 2.250 . 2.480 2.529 2.468 2.603 0.123 2 0 "[ . 1 . 2]" 1
149 1 14 PHE HA 1 15 ARG H 3.140 . 3.450 3.556 3.546 3.564 0.114 15 0 "[ . 1 . 2]" 1
150 1 14 PHE HA 1 17 PHE H 3.530 . 3.880 3.873 3.785 3.926 0.046 13 0 "[ . 1 . 2]" 1
151 1 14 PHE HA 1 18 ASP H 5.000 . 5.500 4.540 4.457 4.596 . 0 0 "[ . 1 . 2]" 1
152 1 14 PHE HA 1 25 ILE MD 2.630 . 3.190 3.223 3.119 3.293 0.103 17 0 "[ . 1 . 2]" 1
153 1 14 PHE HA 1 63 TYR QD 5.000 . 5.500 4.251 4.138 4.389 . 0 0 "[ . 1 . 2]" 1
154 1 14 PHE HA 1 63 TYR QE 5.000 . 5.500 4.999 4.904 5.152 . 0 0 "[ . 1 . 2]" 1
155 1 14 PHE HA 1 66 PHE HZ 5.000 . 5.500 3.331 3.193 3.461 . 0 0 "[ . 1 . 2]" 1
156 1 14 PHE QB 1 14 PHE QD 2.290 . 2.520 2.151 2.145 2.159 . 0 0 "[ . 1 . 2]" 1
157 1 14 PHE QB 1 15 ARG H 2.990 . 3.290 2.216 2.177 2.267 . 0 0 "[ . 1 . 2]" 1
158 1 14 PHE QB 1 18 ASP H 5.000 . 5.500 5.254 5.201 5.297 . 0 0 "[ . 1 . 2]" 1
159 1 14 PHE QB 1 63 TYR QD 2.620 . 2.880 1.998 1.837 2.184 . 0 0 "[ . 1 . 2]" 1
160 1 14 PHE QB 1 63 TYR QE 2.610 . 2.870 2.641 2.532 2.873 0.003 18 0 "[ . 1 . 2]" 1
161 1 14 PHE QB 1 66 PHE QD 2.780 . 3.060 2.605 2.420 2.846 . 0 0 "[ . 1 . 2]" 1
162 1 14 PHE QB 1 66 PHE QE 2.810 . 3.090 3.089 3.007 3.135 0.045 7 0 "[ . 1 . 2]" 1
163 1 14 PHE QD 1 15 ARG H 3.370 . 3.710 2.953 2.841 3.030 . 0 0 "[ . 1 . 2]" 1
164 1 14 PHE QD 1 15 ARG HA 3.240 . 3.560 3.248 3.064 3.376 . 0 0 "[ . 1 . 2]" 1
165 1 14 PHE QD 1 15 ARG QB 3.260 . 3.590 3.655 3.619 3.694 0.104 20 0 "[ . 1 . 2]" 1
166 1 14 PHE QD 1 15 ARG QG 3.180 . 3.500 3.027 2.828 3.254 . 0 0 "[ . 1 . 2]" 1
167 1 14 PHE QD 1 17 PHE QB 5.000 . 5.500 4.642 4.498 4.773 . 0 0 "[ . 1 . 2]" 1
168 1 14 PHE QD 1 18 ASP H 5.000 . 5.500 4.700 4.594 4.771 . 0 0 "[ . 1 . 2]" 1
169 1 14 PHE QD 1 18 ASP HB2 3.780 . 4.160 4.065 3.892 4.176 0.016 4 0 "[ . 1 . 2]" 1
170 1 14 PHE QD 1 18 ASP HB3 5.000 . 5.500 3.706 3.453 3.852 . 0 0 "[ . 1 . 2]" 1
171 1 14 PHE QD 1 25 ILE MD 2.560 . 3.120 2.911 2.725 3.095 . 0 0 "[ . 1 . 2]" 1
172 1 14 PHE QD 1 25 ILE QG 3.720 . 4.090 4.151 4.091 4.190 0.100 15 0 "[ . 1 . 2]" 1
173 1 14 PHE QD 1 61 VAL MG1 5.000 . 5.800 3.862 3.709 3.954 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE QD 1 63 TYR H 5.000 . 5.500 4.759 4.484 4.900 . 0 0 "[ . 1 . 2]" 1
175 1 14 PHE QD 1 63 TYR HB2 5.000 . 5.500 3.770 3.472 4.020 . 0 0 "[ . 1 . 2]" 1
176 1 14 PHE QD 1 63 TYR QD 2.710 . 2.980 2.967 2.874 3.044 0.064 6 0 "[ . 1 . 2]" 1
177 1 14 PHE QD 1 66 PHE H 4.550 . 5.010 4.159 4.081 4.280 . 0 0 "[ . 1 . 2]" 1
178 1 14 PHE QD 1 66 PHE HA 5.000 . 5.500 4.440 4.395 4.492 . 0 0 "[ . 1 . 2]" 1
179 1 14 PHE QD 1 66 PHE QD 2.700 . 2.970 2.608 2.473 2.747 . 0 0 "[ . 1 . 2]" 1
180 1 14 PHE QD 1 66 PHE QE 3.540 . 3.890 3.923 3.865 3.954 0.064 17 0 "[ . 1 . 2]" 1
181 1 14 PHE QD 1 67 VAL H 5.000 . 5.500 4.749 4.595 4.946 . 0 0 "[ . 1 . 2]" 1
182 1 14 PHE QE 1 18 ASP H 5.000 . 5.500 5.048 4.817 5.194 . 0 0 "[ . 1 . 2]" 1
183 1 14 PHE QE 1 18 ASP HB3 3.080 . 3.390 3.387 3.190 3.449 0.059 18 0 "[ . 1 . 2]" 1
184 1 14 PHE QE 1 23 GLY H 5.000 . 5.500 3.880 3.173 4.922 . 0 0 "[ . 1 . 2]" 1
185 1 14 PHE QE 1 23 GLY QA 5.000 . 5.500 3.094 2.284 3.971 . 0 0 "[ . 1 . 2]" 1
186 1 14 PHE QE 1 24 TYR H 5.000 . 5.500 4.821 3.710 5.555 0.055 12 0 "[ . 1 . 2]" 1
187 1 14 PHE QE 1 25 ILE H 5.000 . 5.500 4.008 3.756 4.235 . 0 0 "[ . 1 . 2]" 1
188 1 14 PHE QE 1 25 ILE HB 5.000 . 5.500 4.172 3.988 4.450 . 0 0 "[ . 1 . 2]" 1
189 1 14 PHE QE 1 25 ILE MD 2.540 . 3.090 2.389 2.040 2.755 . 0 0 "[ . 1 . 2]" 1
190 1 14 PHE QE 1 25 ILE QG 2.840 . 3.120 3.032 2.877 3.132 0.012 2 0 "[ . 1 . 2]" 1
191 1 14 PHE QE 1 61 VAL MG1 3.090 . 3.700 2.484 2.203 2.658 . 0 0 "[ . 1 . 2]" 1
192 1 14 PHE QE 1 62 ASN HA 2.730 . 3.000 2.822 2.592 2.987 . 0 0 "[ . 1 . 2]" 1
193 1 14 PHE QE 1 63 TYR H 3.520 . 3.870 3.618 3.447 3.760 . 0 0 "[ . 1 . 2]" 1
194 1 14 PHE QE 1 63 TYR HB2 5.000 . 5.500 3.733 3.405 3.929 . 0 0 "[ . 1 . 2]" 1
195 1 14 PHE QE 1 63 TYR HB3 5.000 . 5.500 4.864 4.593 4.986 . 0 0 "[ . 1 . 2]" 1
196 1 14 PHE QE 1 64 GLU H 5.000 . 5.500 5.247 5.078 5.456 . 0 0 "[ . 1 . 2]" 1
197 1 14 PHE QE 1 66 PHE H 3.390 . 3.730 3.840 3.789 3.875 0.145 16 0 "[ . 1 . 2]" 1
198 1 14 PHE QE 1 66 PHE QB 2.630 . 2.890 2.411 2.293 2.488 . 0 0 "[ . 1 . 2]" 1
199 1 14 PHE HZ 1 18 ASP HB3 5.000 . 5.500 4.647 4.422 4.880 . 0 0 "[ . 1 . 2]" 1
200 1 14 PHE HZ 1 23 GLY QA 5.000 . 5.500 3.842 3.363 4.384 . 0 0 "[ . 1 . 2]" 1
201 1 14 PHE HZ 1 24 TYR HA 2.580 . 2.840 2.686 2.275 2.868 0.028 1 0 "[ . 1 . 2]" 1
202 1 14 PHE HZ 1 25 ILE H 3.400 . 3.740 3.569 3.337 3.784 0.044 8 0 "[ . 1 . 2]" 1
203 1 14 PHE HZ 1 25 ILE MD 4.570 . 5.330 3.531 3.156 3.860 . 0 0 "[ . 1 . 2]" 1
204 1 14 PHE HZ 1 25 ILE QG 3.370 . 3.710 2.766 2.581 2.911 . 0 0 "[ . 1 . 2]" 1
205 1 14 PHE HZ 1 61 VAL MG1 5.000 . 5.800 4.234 3.861 4.504 . 0 0 "[ . 1 . 2]" 1
206 1 14 PHE HZ 1 62 ASN HA 2.620 . 2.880 2.467 2.140 2.721 . 0 0 "[ . 1 . 2]" 1
207 1 14 PHE HZ 1 63 TYR H 3.460 . 3.810 3.620 3.177 3.825 0.015 8 0 "[ . 1 . 2]" 1
208 1 14 PHE HZ 1 63 TYR HB2 5.000 . 5.500 4.216 3.941 4.535 . 0 0 "[ . 1 . 2]" 1
209 1 14 PHE HZ 1 63 TYR HB3 5.000 . 5.500 5.363 4.998 5.546 0.046 18 0 "[ . 1 . 2]" 1
210 1 15 ARG H 1 15 ARG HA 2.780 . 3.060 2.856 2.838 2.870 . 0 0 "[ . 1 . 2]" 1
211 1 15 ARG H 1 15 ARG QB 2.170 . 2.390 2.039 2.012 2.063 . 0 0 "[ . 1 . 2]" 1
212 1 15 ARG H 1 15 ARG QG 3.000 . 3.300 3.354 3.263 3.405 0.105 15 0 "[ . 1 . 2]" 1
213 1 15 ARG H 1 16 VAL HA 5.000 . 5.500 5.245 5.184 5.321 . 0 0 "[ . 1 . 2]" 1
214 1 15 ARG H 1 16 VAL MG2 3.750 . 4.430 4.211 3.908 4.398 . 0 0 "[ . 1 . 2]" 1
215 1 15 ARG H 1 17 PHE QB 5.000 . 5.500 5.497 5.354 5.556 0.056 11 0 "[ . 1 . 2]" 1
216 1 15 ARG HA 1 15 ARG QB 2.300 . 2.530 2.546 2.541 2.548 0.018 8 0 "[ . 1 . 2]" 1
217 1 15 ARG HA 1 16 VAL H 5.000 . 5.500 3.510 3.472 3.548 . 0 0 "[ . 1 . 2]" 1
218 1 15 ARG HA 1 17 PHE H 5.000 . 5.500 3.618 3.451 3.731 . 0 0 "[ . 1 . 2]" 1
219 1 15 ARG HA 1 18 ASP H 2.980 . 3.280 2.575 2.460 2.814 . 0 0 "[ . 1 . 2]" 1
220 1 15 ARG HA 1 18 ASP HB2 2.870 . 3.160 3.214 3.182 3.245 0.085 4 0 "[ . 1 . 2]" 1
221 1 15 ARG HA 1 18 ASP HB3 5.000 . 5.500 1.947 1.868 2.010 . 0 0 "[ . 1 . 2]" 1
222 1 15 ARG QB 1 15 ARG HE 2.880 . 3.170 2.136 1.787 2.604 0.013 8 0 "[ . 1 . 2]" 1
223 1 15 ARG QB 1 16 VAL H 2.670 . 2.940 2.888 2.746 2.989 0.049 2 0 "[ . 1 . 2]" 1
224 1 15 ARG QD 1 16 VAL H 5.000 . 5.500 5.412 4.969 5.558 0.058 17 0 "[ . 1 . 2]" 1
225 1 15 ARG HE 1 16 VAL HA 5.000 . 5.500 5.366 5.160 5.525 0.025 6 0 "[ . 1 . 2]" 1
226 1 15 ARG QG 1 16 VAL H 5.000 . 5.500 4.486 4.411 4.522 . 0 0 "[ . 1 . 2]" 1
227 1 15 ARG QG 1 16 VAL HA 5.000 . 5.500 5.459 5.344 5.576 0.076 19 0 "[ . 1 . 2]" 1
228 1 16 VAL H 1 17 PHE QD 5.000 . 5.500 4.180 3.903 4.410 . 0 0 "[ . 1 . 2]" 1
229 1 16 VAL H 1 18 ASP H 5.000 . 5.500 3.966 3.813 4.303 . 0 0 "[ . 1 . 2]" 1
230 1 16 VAL HA 1 16 VAL MG1 2.190 . 2.710 2.475 2.354 2.585 . 0 0 "[ . 1 . 2]" 1
231 1 16 VAL HA 1 17 PHE H 5.000 . 5.500 3.491 3.449 3.516 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL HA 1 17 PHE QD 5.000 . 5.500 5.101 4.664 5.268 . 0 0 "[ . 1 . 2]" 1
233 1 16 VAL HA 1 18 ASP H 5.000 . 5.500 4.681 4.468 5.059 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL HB 1 16 VAL MG1 2.190 . 2.710 2.129 2.106 2.148 . 0 0 "[ . 1 . 2]" 1
235 1 16 VAL HB 1 16 VAL MG2 2.190 . 2.710 2.137 2.111 2.152 . 0 0 "[ . 1 . 2]" 1
236 1 16 VAL HB 1 17 PHE QD 2.830 . 3.110 2.937 2.397 3.136 0.026 12 0 "[ . 1 . 2]" 1
237 1 16 VAL MG1 1 17 PHE HA 3.220 . 3.840 3.547 3.337 3.818 . 0 0 "[ . 1 . 2]" 1
238 1 16 VAL MG1 1 17 PHE QD 3.050 . 3.650 3.310 2.896 3.611 . 0 0 "[ . 1 . 2]" 1
239 1 16 VAL MG1 1 17 PHE QE 5.000 . 5.800 3.304 2.819 3.565 . 0 0 "[ . 1 . 2]" 1
240 1 16 VAL MG1 1 18 ASP H 5.000 . 5.800 5.040 4.850 5.265 . 0 0 "[ . 1 . 2]" 1
241 1 16 VAL MG1 1 33 VAL QG 5.000 . 6.100 2.225 1.795 2.717 0.005 20 0 "[ . 1 . 2]" 1
242 1 16 VAL MG2 1 17 PHE QD 5.000 . 5.800 4.463 4.057 4.625 . 0 0 "[ . 1 . 2]" 1
243 1 16 VAL MG2 1 17 PHE QE 5.000 . 5.800 4.731 4.494 4.958 . 0 0 "[ . 1 . 2]" 1
244 1 16 VAL MG2 1 18 ASP H 5.000 . 5.800 5.412 5.234 5.670 . 0 0 "[ . 1 . 2]" 1
245 1 17 PHE H 1 17 PHE QB 2.330 . 2.560 2.348 2.285 2.413 . 0 0 "[ . 1 . 2]" 1
246 1 17 PHE H 1 18 ASP H 2.550 . 2.810 2.111 1.947 2.357 . 0 0 "[ . 1 . 2]" 1
247 1 17 PHE H 1 18 ASP HB3 5.000 . 5.500 4.501 4.362 4.612 . 0 0 "[ . 1 . 2]" 1
248 1 17 PHE H 1 25 ILE MD 5.000 . 5.800 3.666 3.447 3.989 . 0 0 "[ . 1 . 2]" 1
249 1 17 PHE HA 1 17 PHE QB 2.380 . 2.620 2.429 2.407 2.449 . 0 0 "[ . 1 . 2]" 1
250 1 17 PHE HA 1 17 PHE QD 2.670 . 2.940 2.867 2.715 3.058 0.118 18 0 "[ . 1 . 2]" 1
251 1 17 PHE HA 1 18 ASP H 5.000 . 5.500 3.519 3.494 3.566 . 0 0 "[ . 1 . 2]" 1
252 1 17 PHE HA 1 19 LYS H 5.000 . 5.500 4.848 4.414 5.501 0.001 18 0 "[ . 1 . 2]" 1
253 1 17 PHE HA 1 25 ILE MD 5.000 . 5.800 4.363 4.096 4.817 . 0 0 "[ . 1 . 2]" 1
254 1 17 PHE HA 1 33 VAL QG 2.450 . 3.000 2.194 1.841 2.624 . 0 0 "[ . 1 . 2]" 1
255 1 17 PHE QB 1 18 ASP H 2.460 . 2.710 2.641 2.344 2.737 0.027 16 0 "[ . 1 . 2]" 1
256 1 17 PHE QB 1 19 LYS H 5.000 . 5.500 5.147 4.843 5.433 . 0 0 "[ . 1 . 2]" 1
257 1 17 PHE QB 1 25 ILE MD 2.250 . 2.780 1.964 1.754 2.355 0.046 16 0 "[ . 1 . 2]" 1
258 1 17 PHE QB 1 25 ILE QG 2.630 . 2.890 2.878 2.672 2.953 0.063 5 0 "[ . 1 . 2]" 1
259 1 17 PHE QB 1 25 ILE MG 2.800 . 3.380 2.208 1.900 2.483 . 0 0 "[ . 1 . 2]" 1
260 1 17 PHE QD 1 18 ASP H 5.000 . 5.500 4.161 4.014 4.307 . 0 0 "[ . 1 . 2]" 1
261 1 17 PHE QD 1 25 ILE MD 3.220 . 3.840 3.482 3.245 3.806 . 0 0 "[ . 1 . 2]" 1
262 1 17 PHE QD 1 25 ILE QG 5.000 . 5.500 4.824 4.631 4.909 . 0 0 "[ . 1 . 2]" 1
263 1 17 PHE QD 1 30 LEU HA 2.860 . 3.150 2.460 1.886 2.940 . 0 0 "[ . 1 . 2]" 1
264 1 17 PHE QD 1 30 LEU QD 2.530 . 3.080 2.361 1.895 3.002 . 0 0 "[ . 1 . 2]" 1
265 1 17 PHE QD 1 33 VAL HB 2.850 . 3.140 2.638 2.259 3.104 . 0 0 "[ . 1 . 2]" 1
266 1 17 PHE QD 1 33 VAL QG 2.690 . 3.260 2.933 2.411 3.264 0.004 13 0 "[ . 1 . 2]" 1
267 1 17 PHE QD 1 66 PHE QE 2.740 . 3.010 2.594 2.269 2.873 . 0 0 "[ . 1 . 2]" 1
268 1 17 PHE QD 1 66 PHE HZ 2.890 . 3.180 3.130 2.926 3.221 0.041 7 0 "[ . 1 . 2]" 1
269 1 17 PHE QE 1 25 ILE MD 5.000 . 5.800 5.032 4.821 5.315 . 0 0 "[ . 1 . 2]" 1
270 1 17 PHE QE 1 30 LEU HA 5.000 . 5.500 4.291 3.617 4.981 . 0 0 "[ . 1 . 2]" 1
271 1 17 PHE QE 1 30 LEU QD 2.610 . 3.170 2.903 2.443 3.179 0.009 17 0 "[ . 1 . 2]" 1
272 1 17 PHE QE 1 33 VAL QG 3.180 . 3.800 2.563 2.065 3.139 . 0 0 "[ . 1 . 2]" 1
273 1 17 PHE QE 1 66 PHE QE 5.000 . 5.500 2.812 2.410 3.086 . 0 0 "[ . 1 . 2]" 1
274 1 17 PHE QE 1 66 PHE HZ 3.170 . 3.490 2.926 2.444 3.263 . 0 0 "[ . 1 . 2]" 1
275 1 18 ASP H 1 18 ASP HB2 2.290 . 2.520 2.556 2.500 2.591 0.071 6 0 "[ . 1 . 2]" 1
276 1 18 ASP H 1 18 ASP HB3 2.370 . 2.610 2.631 2.547 2.677 0.067 15 0 "[ . 1 . 2]" 1
277 1 18 ASP H 1 19 LYS H 5.000 . 5.500 4.097 3.798 4.475 . 0 0 "[ . 1 . 2]" 1
278 1 18 ASP H 1 25 ILE MD 4.440 . 5.180 3.101 2.728 3.480 . 0 0 "[ . 1 . 2]" 1
279 1 18 ASP H 1 25 ILE HG12 5.000 . 5.500 3.034 2.380 3.321 . 0 0 "[ . 1 . 2]" 1
280 1 18 ASP H 1 25 ILE HG13 5.000 . 5.500 4.239 3.624 4.443 . 0 0 "[ . 1 . 2]" 1
281 1 18 ASP HA 1 18 ASP HB2 2.910 . 3.200 2.562 2.505 2.594 . 0 0 "[ . 1 . 2]" 1
282 1 18 ASP HA 1 18 ASP HB3 2.800 . 3.080 3.023 3.013 3.038 . 0 0 "[ . 1 . 2]" 1
283 1 18 ASP HA 1 19 LYS H 2.490 . 2.740 2.317 2.203 2.438 . 0 0 "[ . 1 . 2]" 1
284 1 18 ASP HB3 1 19 LYS H 5.000 . 5.500 4.379 4.275 4.453 . 0 0 "[ . 1 . 2]" 1
285 1 18 ASP HB3 1 25 ILE MD 3.290 . 3.920 3.989 3.955 4.013 0.093 18 0 "[ . 1 . 2]" 1
286 1 18 ASP HB3 1 25 ILE QG 3.270 . 3.600 3.305 3.199 3.507 . 0 0 "[ . 1 . 2]" 1
287 1 19 LYS H 1 19 LYS HA 2.610 . 2.870 2.919 2.891 2.942 0.072 14 0 "[ . 1 . 2]" 1
288 1 19 LYS H 1 19 LYS QB 2.190 . 2.410 2.415 2.232 2.510 0.100 10 0 "[ . 1 . 2]" 1
289 1 19 LYS H 1 19 LYS QG 2.880 . 3.170 2.419 2.049 3.224 0.054 4 0 "[ . 1 . 2]" 1
290 1 19 LYS H 1 20 ASP H 2.940 . 3.230 2.383 2.265 2.520 . 0 0 "[ . 1 . 2]" 1
291 1 19 LYS H 1 21 GLY H 5.000 . 5.500 4.002 3.831 4.226 . 0 0 "[ . 1 . 2]" 1
292 1 19 LYS H 1 29 GLU HA 5.000 . 5.500 4.274 3.821 4.821 . 0 0 "[ . 1 . 2]" 1
293 1 19 LYS H 1 29 GLU QB 2.960 . 3.260 2.952 2.554 3.306 0.046 12 0 "[ . 1 . 2]" 1
294 1 19 LYS HA 1 19 LYS QB 2.080 . 2.290 2.366 2.316 2.451 0.161 20 0 "[ . 1 . 2]" 1
295 1 19 LYS HA 1 19 LYS QD 2.680 . 2.950 2.569 1.823 2.977 0.027 6 0 "[ . 1 . 2]" 1
296 1 19 LYS HA 1 20 ASP H 3.110 . 3.420 3.450 3.416 3.478 0.058 12 0 "[ . 1 . 2]" 1
297 1 19 LYS HA 1 21 GLY H 2.940 . 3.230 3.344 3.306 3.369 0.139 20 0 "[ . 1 . 2]" 1
298 1 19 LYS QB 1 20 ASP H 2.580 . 2.840 2.923 2.853 2.996 0.156 16 0 "[ . 1 . 2]" 1
299 1 19 LYS QB 1 21 GLY H 5.000 . 5.500 4.327 4.304 4.354 . 0 0 "[ . 1 . 2]" 1
300 1 19 LYS QB 1 32 HIS HD2 5.000 . 5.500 4.629 3.838 5.548 0.048 17 0 "[ . 1 . 2]" 1
301 1 19 LYS QD 1 20 ASP H 5.000 . 5.500 5.073 3.751 5.381 . 0 0 "[ . 1 . 2]" 1
302 1 19 LYS QD 1 32 HIS HD2 3.300 . 3.630 3.369 2.248 3.648 0.018 10 0 "[ . 1 . 2]" 1
303 1 19 LYS QE 1 32 HIS HD2 5.000 . 5.500 3.078 1.899 4.929 . 0 0 "[ . 1 . 2]" 1
304 1 19 LYS QG 1 32 HIS HD2 5.000 . 5.500 2.865 2.006 3.967 . 0 0 "[ . 1 . 2]" 1
305 1 19 LYS HG2 1 20 ASP H 5.000 . 5.500 4.448 4.106 5.317 . 0 0 "[ . 1 . 2]" 1
306 1 19 LYS HG3 1 20 ASP H 5.000 . 5.500 4.960 4.699 5.274 . 0 0 "[ . 1 . 2]" 1
307 1 20 ASP H 1 20 ASP HA 2.930 . 3.220 2.921 2.914 2.928 . 0 0 "[ . 1 . 2]" 1
308 1 20 ASP H 1 20 ASP QB 2.880 . 3.170 2.291 2.109 2.883 . 0 0 "[ . 1 . 2]" 1
309 1 20 ASP H 1 21 GLY H 2.490 . 2.740 2.594 2.550 2.700 . 0 0 "[ . 1 . 2]" 1
310 1 20 ASP H 1 21 GLY QA 5.000 . 5.500 4.432 4.393 4.506 . 0 0 "[ . 1 . 2]" 1
311 1 20 ASP H 1 22 ASN H 5.000 . 5.500 4.127 3.892 4.358 . 0 0 "[ . 1 . 2]" 1
312 1 20 ASP H 1 29 GLU QB 5.000 . 5.500 4.225 3.620 4.846 . 0 0 "[ . 1 . 2]" 1
313 1 20 ASP HA 1 21 GLY H 4.240 . 4.660 3.271 3.219 3.293 . 0 0 "[ . 1 . 2]" 1
314 1 20 ASP HA 1 22 ASN H 5.000 . 5.500 4.518 4.247 4.865 . 0 0 "[ . 1 . 2]" 1
315 1 20 ASP QB 1 21 GLY H 5.000 . 5.500 3.497 3.377 3.940 . 0 0 "[ . 1 . 2]" 1
316 1 21 GLY H 1 21 GLY QA 2.180 . 2.400 2.235 2.229 2.237 . 0 0 "[ . 1 . 2]" 1
317 1 21 GLY H 1 22 ASN H 2.810 . 3.090 3.044 2.925 3.143 0.053 17 0 "[ . 1 . 2]" 1
318 1 21 GLY H 1 23 GLY H 5.000 . 5.500 4.870 4.570 5.476 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLY QA 1 22 ASN H 2.860 . 3.150 2.752 2.648 2.831 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLY QA 1 23 GLY H 5.000 . 5.500 3.758 3.001 4.661 . 0 0 "[ . 1 . 2]" 1
321 1 22 ASN H 1 22 ASN QB 2.740 . 3.010 2.408 2.155 2.841 . 0 0 "[ . 1 . 2]" 1
322 1 22 ASN H 1 22 ASN HD21 5.000 . 5.500 4.421 4.151 4.832 . 0 0 "[ . 1 . 2]" 1
323 1 22 ASN H 1 22 ASN HD22 5.000 . 5.500 5.095 4.281 5.546 0.046 20 0 "[ . 1 . 2]" 1
324 1 22 ASN H 1 23 GLY H 2.650 . 2.920 2.357 2.035 2.888 . 0 0 "[ . 1 . 2]" 1
325 1 22 ASN H 1 24 TYR H 5.000 . 5.500 4.208 3.539 5.140 . 0 0 "[ . 1 . 2]" 1
326 1 22 ASN HA 1 23 GLY H 5.000 . 5.500 3.509 3.313 3.597 . 0 0 "[ . 1 . 2]" 1
327 1 22 ASN QB 1 22 ASN QD 2.670 . 2.940 2.230 2.175 2.424 . 0 0 "[ . 1 . 2]" 1
328 1 22 ASN QB 1 23 GLY H 5.000 . 5.500 3.075 2.276 3.719 . 0 0 "[ . 1 . 2]" 1
329 1 22 ASN QD 1 24 TYR QB 2.990 . 3.290 2.567 1.814 3.232 . 0 0 "[ . 1 . 2]" 1
330 1 22 ASN QD 1 24 TYR QD 3.650 . 4.010 3.779 3.017 4.030 0.020 10 0 "[ . 1 . 2]" 1
331 1 23 GLY H 1 23 GLY QA 2.380 . 2.620 2.454 2.292 2.535 . 0 0 "[ . 1 . 2]" 1
332 1 23 GLY H 1 24 TYR H 2.530 . 2.780 2.455 1.850 2.800 0.020 13 0 "[ . 1 . 2]" 1
333 1 23 GLY H 1 24 TYR HA 5.000 . 5.500 4.602 4.380 5.034 . 0 0 "[ . 1 . 2]" 1
334 1 23 GLY H 1 24 TYR QB 5.000 . 5.500 4.668 4.119 5.030 . 0 0 "[ . 1 . 2]" 1
335 1 23 GLY H 1 24 TYR QD 5.000 . 5.500 4.940 4.628 5.273 . 0 0 "[ . 1 . 2]" 1
336 1 23 GLY QA 1 24 TYR H 2.970 . 3.270 2.750 2.582 2.919 . 0 0 "[ . 1 . 2]" 1
337 1 23 GLY QA 1 24 TYR QD 3.030 . 3.330 3.323 3.171 3.438 0.108 10 0 "[ . 1 . 2]" 1
338 1 24 TYR H 1 24 TYR HA 2.620 . 2.880 2.978 2.969 2.989 0.109 5 0 "[ . 1 . 2]" 1
339 1 24 TYR H 1 24 TYR QB 2.540 . 2.790 2.472 2.337 2.606 . 0 0 "[ . 1 . 2]" 1
340 1 24 TYR H 1 24 TYR QD 3.320 . 3.650 3.206 2.822 3.584 . 0 0 "[ . 1 . 2]" 1
341 1 24 TYR H 1 25 ILE H 4.220 . 4.640 4.490 4.435 4.539 . 0 0 "[ . 1 . 2]" 1
342 1 24 TYR HA 1 24 TYR QB 2.240 . 2.460 2.435 2.328 2.530 0.070 18 0 "[ . 1 . 2]" 1
343 1 24 TYR HA 1 24 TYR QD 2.450 . 2.700 2.339 1.938 2.903 0.203 20 0 "[ . 1 . 2]" 1
344 1 24 TYR HA 1 24 TYR QE 5.000 . 5.500 4.307 4.147 4.436 . 0 0 "[ . 1 . 2]" 1
345 1 24 TYR HA 1 25 ILE H 2.340 . 2.570 2.319 2.232 2.582 0.012 14 0 "[ . 1 . 2]" 1
346 1 24 TYR HA 1 61 VAL H 5.000 . 5.500 4.384 4.032 4.825 . 0 0 "[ . 1 . 2]" 1
347 1 24 TYR HA 1 62 ASN H 5.000 . 5.500 4.751 4.369 4.934 . 0 0 "[ . 1 . 2]" 1
348 1 24 TYR HA 1 62 ASN HA 2.080 . 2.290 2.298 1.862 2.472 0.182 13 0 "[ . 1 . 2]" 1
349 1 24 TYR HA 1 63 TYR H 5.000 . 5.500 4.652 4.103 4.891 . 0 0 "[ . 1 . 2]" 1
350 1 24 TYR QB 1 24 TYR QD 2.040 . 2.240 2.227 2.143 2.303 0.063 14 0 "[ . 1 . 2]" 1
351 1 24 TYR QB 1 25 ILE H 2.690 . 2.960 2.817 2.180 3.041 0.081 20 0 "[ . 1 . 2]" 1
352 1 24 TYR QB 1 60 GLN QE 3.290 . 3.620 3.496 2.840 3.673 0.053 16 0 "[ . 1 . 2]" 1
353 1 24 TYR QB 1 61 VAL H 5.000 . 5.500 3.452 2.594 4.532 . 0 0 "[ . 1 . 2]" 1
354 1 24 TYR QD 1 25 ILE H 3.690 . 4.060 3.919 3.491 4.123 0.063 16 0 "[ . 1 . 2]" 1
355 1 24 TYR QD 1 60 GLN QB 2.740 . 3.010 2.851 1.856 3.144 0.134 1 0 "[ . 1 . 2]" 1
356 1 24 TYR QD 1 60 GLN HE21 5.000 . 5.500 2.454 1.863 4.455 . 0 0 "[ . 1 . 2]" 1
357 1 24 TYR QD 1 60 GLN HE22 5.000 . 5.500 3.288 2.641 4.881 . 0 0 "[ . 1 . 2]" 1
358 1 24 TYR QD 1 60 GLN QG 2.490 . 2.740 2.116 1.781 2.526 0.019 20 0 "[ . 1 . 2]" 1
359 1 24 TYR QD 1 61 VAL H 5.000 . 5.500 4.154 3.274 4.889 . 0 0 "[ . 1 . 2]" 1
360 1 24 TYR QD 1 62 ASN H 5.000 . 5.500 4.995 4.127 5.387 . 0 0 "[ . 1 . 2]" 1
361 1 24 TYR QD 1 62 ASN QB 2.330 . 2.560 2.619 2.510 2.781 0.221 20 0 "[ . 1 . 2]" 1
362 1 24 TYR QD 1 63 TYR H 5.000 . 5.500 4.450 4.043 5.448 . 0 0 "[ . 1 . 2]" 1
363 1 24 TYR QE 1 60 GLN QB 5.000 . 5.500 4.254 1.853 4.971 . 0 0 "[ . 1 . 2]" 1
364 1 24 TYR QE 1 60 GLN HE21 5.000 . 5.500 3.032 1.883 5.504 0.004 1 0 "[ . 1 . 2]" 1
365 1 24 TYR QE 1 60 GLN HE22 5.000 . 5.500 3.531 2.181 5.080 . 0 0 "[ . 1 . 2]" 1
366 1 24 TYR QE 1 60 GLN QG 3.410 . 3.750 3.275 2.172 3.837 0.087 12 0 "[ . 1 . 2]" 1
367 1 24 TYR QE 1 62 ASN QB 5.000 . 5.500 2.339 1.866 2.999 . 0 0 "[ . 1 . 2]" 1
368 1 24 TYR QE 1 63 TYR H 4.990 . 5.490 4.599 4.032 5.261 . 0 0 "[ . 1 . 2]" 1
369 1 25 ILE H 1 25 ILE HB 2.450 . 2.700 2.404 2.308 2.524 . 0 0 "[ . 1 . 2]" 1
370 1 25 ILE H 1 25 ILE MD 2.960 . 3.560 3.540 3.293 3.604 0.044 2 0 "[ . 1 . 2]" 1
371 1 25 ILE H 1 25 ILE QG 2.690 . 2.960 2.644 2.461 2.879 . 0 0 "[ . 1 . 2]" 1
372 1 25 ILE H 1 26 SER H 4.190 . 4.610 4.404 4.130 4.622 0.012 9 0 "[ . 1 . 2]" 1
373 1 25 ILE H 1 60 GLN QB 5.000 . 5.500 4.080 3.595 4.716 . 0 0 "[ . 1 . 2]" 1
374 1 25 ILE H 1 60 GLN QG 5.000 . 5.500 4.244 2.999 4.731 . 0 0 "[ . 1 . 2]" 1
375 1 25 ILE H 1 61 VAL H 2.880 . 3.170 2.762 2.343 3.030 . 0 0 "[ . 1 . 2]" 1
376 1 25 ILE H 1 61 VAL HB 2.790 . 3.070 3.018 2.712 3.147 0.077 2 0 "[ . 1 . 2]" 1
377 1 25 ILE H 1 61 VAL MG1 3.280 . 3.910 3.706 3.453 3.899 . 0 0 "[ . 1 . 2]" 1
378 1 25 ILE H 1 62 ASN H 5.000 . 5.500 4.542 4.296 4.744 . 0 0 "[ . 1 . 2]" 1
379 1 25 ILE H 1 62 ASN HA 3.320 . 3.650 3.361 3.007 3.711 0.061 8 0 "[ . 1 . 2]" 1
380 1 25 ILE HB 1 25 ILE MD 2.350 . 2.890 2.299 2.206 2.386 . 0 0 "[ . 1 . 2]" 1
381 1 25 ILE HB 1 26 SER H 5.000 . 5.500 4.315 3.916 4.528 . 0 0 "[ . 1 . 2]" 1
382 1 25 ILE HB 1 61 VAL H 2.890 . 3.180 3.323 3.251 3.381 0.201 11 0 "[ . 1 . 2]" 1
383 1 25 ILE HB 1 61 VAL MG1 2.810 . 3.390 3.202 2.947 3.403 0.013 20 0 "[ . 1 . 2]" 1
384 1 25 ILE HB 1 61 VAL MG2 5.000 . 5.800 3.457 3.258 3.586 . 0 0 "[ . 1 . 2]" 1
385 1 25 ILE MD 1 25 ILE QG 2.140 . 2.650 1.911 1.903 1.914 . 0 0 "[ . 1 . 2]" 1
386 1 25 ILE MD 1 25 ILE MG 2.290 . 3.120 2.126 1.870 2.305 . 0 0 "[ . 1 . 2]" 1
387 1 25 ILE MD 1 26 SER H 5.000 . 5.800 5.250 4.852 5.527 . 0 0 "[ . 1 . 2]" 1
388 1 25 ILE MD 1 61 VAL H 5.000 . 5.800 4.802 4.613 4.986 . 0 0 "[ . 1 . 2]" 1
389 1 25 ILE MD 1 61 VAL MG1 2.660 . 3.530 2.469 2.325 2.648 . 0 0 "[ . 1 . 2]" 1
390 1 25 ILE MD 1 61 VAL MG2 5.000 . 6.100 3.826 3.644 3.912 . 0 0 "[ . 1 . 2]" 1
391 1 25 ILE MD 1 66 PHE H 5.000 . 5.800 4.921 4.663 5.146 . 0 0 "[ . 1 . 2]" 1
392 1 25 ILE MD 1 66 PHE QB 3.110 . 3.720 2.741 2.510 3.046 . 0 0 "[ . 1 . 2]" 1
393 1 25 ILE MD 1 66 PHE QD 2.640 . 3.200 2.884 2.704 3.064 . 0 0 "[ . 1 . 2]" 1
394 1 25 ILE MD 1 66 PHE QE 3.210 . 3.830 3.794 3.608 3.884 0.054 20 0 "[ . 1 . 2]" 1
395 1 25 ILE QG 1 26 SER H 5.000 . 5.500 4.139 3.888 4.330 . 0 0 "[ . 1 . 2]" 1
396 1 25 ILE QG 1 61 VAL H 5.000 . 5.500 4.856 4.676 5.041 . 0 0 "[ . 1 . 2]" 1
397 1 25 ILE MG 1 26 SER H 2.690 . 3.260 2.622 2.053 3.259 . 0 0 "[ . 1 . 2]" 1
398 1 25 ILE MG 1 26 SER HA 5.000 . 5.800 3.956 3.543 4.187 . 0 0 "[ . 1 . 2]" 1
399 1 25 ILE MG 1 26 SER HG 5.000 . 5.800 4.413 3.440 4.982 . 0 0 "[ . 1 . 2]" 1
400 1 25 ILE MG 1 29 GLU H 3.120 . 3.730 3.766 3.713 3.822 0.092 17 0 "[ . 1 . 2]" 1
401 1 25 ILE MG 1 29 GLU QB 2.840 . 3.420 1.938 1.793 2.228 0.007 14 0 "[ . 1 . 2]" 1
402 1 26 SER H 1 27 ALA H 5.000 . 5.500 4.587 4.486 4.680 . 0 0 "[ . 1 . 2]" 1
403 1 26 SER H 1 28 ALA H 5.000 . 5.500 5.119 4.928 5.446 . 0 0 "[ . 1 . 2]" 1
404 1 26 SER H 1 29 GLU H 3.260 . 3.590 3.551 3.266 3.641 0.051 10 0 "[ . 1 . 2]" 1
405 1 26 SER H 1 29 GLU HA 5.000 . 5.500 5.023 4.788 5.320 . 0 0 "[ . 1 . 2]" 1
406 1 26 SER H 1 29 GLU QB 5.000 . 5.500 2.225 1.917 2.575 . 0 0 "[ . 1 . 2]" 1
407 1 26 SER H 1 29 GLU QG 3.090 . 3.400 2.647 1.849 3.298 . 0 0 "[ . 1 . 2]" 1
408 1 26 SER H 1 30 LEU H 4.980 . 5.480 4.628 4.181 4.969 . 0 0 "[ . 1 . 2]" 1
409 1 26 SER HA 1 27 ALA H 2.490 . 2.740 2.527 2.325 2.650 . 0 0 "[ . 1 . 2]" 1
410 1 26 SER HA 1 28 ALA H 5.000 . 5.500 4.527 4.172 4.853 . 0 0 "[ . 1 . 2]" 1
411 1 26 SER HA 1 29 GLU H 5.000 . 5.500 4.556 4.417 4.842 . 0 0 "[ . 1 . 2]" 1
412 1 26 SER QB 1 27 ALA H 2.780 . 3.060 2.493 2.071 2.950 . 0 0 "[ . 1 . 2]" 1
413 1 26 SER QB 1 28 ALA H 3.440 . 3.780 3.188 2.435 3.804 0.024 14 0 "[ . 1 . 2]" 1
414 1 26 SER HG 1 28 ALA H 5.000 . 5.500 3.089 2.071 3.993 . 0 0 "[ . 1 . 2]" 1
415 1 26 SER HG 1 28 ALA MB 2.940 . 3.530 2.942 2.436 3.519 . 0 0 "[ . 1 . 2]" 1
416 1 26 SER HG 1 29 GLU H 5.000 . 5.500 2.213 1.854 3.003 . 0 0 "[ . 1 . 2]" 1
417 1 26 SER HG 1 29 GLU QB 3.150 . 3.470 3.110 2.038 3.480 0.010 20 0 "[ . 1 . 2]" 1
418 1 26 SER HG 1 29 GLU QG 5.000 . 5.500 2.084 1.828 2.644 . 0 0 "[ . 1 . 2]" 1
419 1 27 ALA H 1 27 ALA HA 2.630 . 2.890 2.847 2.760 2.898 0.008 4 0 "[ . 1 . 2]" 1
420 1 27 ALA H 1 27 ALA MB 2.250 . 2.780 2.170 2.050 2.261 . 0 0 "[ . 1 . 2]" 1
421 1 27 ALA H 1 28 ALA H 2.940 . 3.230 2.731 2.525 2.929 . 0 0 "[ . 1 . 2]" 1
422 1 27 ALA H 1 28 ALA MB 5.000 . 5.800 4.371 4.116 4.607 . 0 0 "[ . 1 . 2]" 1
423 1 27 ALA H 1 29 GLU H 4.800 . 5.280 4.092 3.848 4.511 . 0 0 "[ . 1 . 2]" 1
424 1 27 ALA H 1 29 GLU QB 5.000 . 5.500 5.054 4.735 5.378 . 0 0 "[ . 1 . 2]" 1
425 1 27 ALA H 1 30 LEU H 5.000 . 5.500 4.766 4.579 4.912 . 0 0 "[ . 1 . 2]" 1
426 1 27 ALA H 1 46 VAL QG 5.000 . 5.800 4.324 3.835 4.807 . 0 0 "[ . 1 . 2]" 1
427 1 27 ALA H 1 50 ILE MD 3.120 . 3.730 3.315 2.759 3.585 . 0 0 "[ . 1 . 2]" 1
428 1 27 ALA H 1 50 ILE QG 5.000 . 5.500 5.325 4.730 5.509 0.009 15 0 "[ . 1 . 2]" 1
429 1 27 ALA HA 1 27 ALA MB 2.000 . 2.500 2.134 2.111 2.151 . 0 0 "[ . 1 . 2]" 1
430 1 27 ALA HA 1 28 ALA H 3.200 . 3.520 3.549 3.515 3.574 0.054 9 0 "[ . 1 . 2]" 1
431 1 27 ALA HA 1 29 GLU H 5.000 . 5.500 4.258 3.948 4.564 . 0 0 "[ . 1 . 2]" 1
432 1 27 ALA HA 1 30 LEU H 3.000 . 3.300 3.320 3.262 3.355 0.055 10 0 "[ . 1 . 2]" 1
433 1 27 ALA HA 1 31 ARG H 5.000 . 5.500 4.353 4.088 4.757 . 0 0 "[ . 1 . 2]" 1
434 1 27 ALA HA 1 46 VAL QG 2.750 . 3.320 2.400 1.843 2.929 . 0 0 "[ . 1 . 2]" 1
435 1 27 ALA HA 1 50 ILE MD 2.450 . 3.000 2.027 1.817 2.422 . 0 0 "[ . 1 . 2]" 1
436 1 27 ALA HA 1 50 ILE QG 5.000 . 5.500 3.470 3.062 3.689 . 0 0 "[ . 1 . 2]" 1
437 1 27 ALA MB 1 28 ALA H 2.470 . 3.020 2.573 2.380 2.840 . 0 0 "[ . 1 . 2]" 1
438 1 27 ALA MB 1 29 GLU H 5.000 . 5.800 4.438 4.208 4.694 . 0 0 "[ . 1 . 2]" 1
439 1 27 ALA MB 1 30 LEU H 5.000 . 5.800 4.394 4.287 4.488 . 0 0 "[ . 1 . 2]" 1
440 1 27 ALA MB 1 31 ARG H 5.000 . 5.800 4.670 4.532 4.989 . 0 0 "[ . 1 . 2]" 1
441 1 27 ALA MB 1 46 VAL QG 2.480 . 3.330 1.943 1.782 2.372 0.018 14 0 "[ . 1 . 2]" 1
442 1 27 ALA MB 1 50 ILE MD 2.550 . 3.400 2.638 2.170 3.203 . 0 0 "[ . 1 . 2]" 1
443 1 28 ALA H 1 28 ALA HA 2.510 . 2.760 2.851 2.818 2.889 0.129 10 0 "[ . 1 . 2]" 1
444 1 28 ALA H 1 28 ALA MB 2.200 . 2.720 2.164 2.048 2.257 . 0 0 "[ . 1 . 2]" 1
445 1 28 ALA H 1 29 GLU H 2.980 . 3.280 2.651 2.480 2.833 . 0 0 "[ . 1 . 2]" 1
446 1 28 ALA H 1 29 GLU QB 5.000 . 5.500 4.666 4.366 4.881 . 0 0 "[ . 1 . 2]" 1
447 1 28 ALA H 1 30 LEU H 5.000 . 5.500 3.933 3.758 4.199 . 0 0 "[ . 1 . 2]" 1
448 1 28 ALA H 1 31 ARG QB 5.000 . 5.500 4.747 4.301 5.574 0.074 18 0 "[ . 1 . 2]" 1
449 1 28 ALA H 1 46 VAL QG 5.000 . 5.800 4.298 3.823 4.736 . 0 0 "[ . 1 . 2]" 1
450 1 28 ALA H 1 50 ILE MD 5.000 . 5.800 4.882 4.546 5.222 . 0 0 "[ . 1 . 2]" 1
451 1 28 ALA HA 1 28 ALA MB 2.250 . 2.780 2.133 2.111 2.151 . 0 0 "[ . 1 . 2]" 1
452 1 28 ALA HA 1 30 LEU H 5.000 . 5.500 3.974 3.870 4.182 . 0 0 "[ . 1 . 2]" 1
453 1 28 ALA HA 1 31 ARG H 2.870 . 3.160 3.206 3.171 3.261 0.101 17 0 "[ . 1 . 2]" 1
454 1 28 ALA MB 1 29 GLU H 2.430 . 2.970 2.684 2.383 2.882 . 0 0 "[ . 1 . 2]" 1
455 1 28 ALA MB 1 30 LEU H 5.000 . 5.800 4.327 4.122 4.576 . 0 0 "[ . 1 . 2]" 1
456 1 28 ALA MB 1 31 ARG H 5.000 . 5.800 4.403 4.300 4.486 . 0 0 "[ . 1 . 2]" 1
457 1 29 GLU H 1 29 GLU QG 2.390 . 2.630 2.339 2.003 2.641 0.011 10 0 "[ . 1 . 2]" 1
458 1 29 GLU H 1 30 LEU H 2.510 . 2.760 2.480 2.357 2.602 . 0 0 "[ . 1 . 2]" 1
459 1 29 GLU H 1 31 ARG H 5.000 . 5.500 3.934 3.630 4.190 . 0 0 "[ . 1 . 2]" 1
460 1 29 GLU HA 1 32 HIS H 5.000 . 5.500 3.660 3.235 3.958 . 0 0 "[ . 1 . 2]" 1
461 1 29 GLU HA 1 32 HIS QB 5.000 . 5.500 3.109 2.314 4.628 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLU HA 1 32 HIS HD2 5.000 . 5.500 5.168 4.524 5.586 0.086 20 0 "[ . 1 . 2]" 1
463 1 29 GLU QB 1 29 GLU QG 2.180 . 2.400 2.057 1.999 2.106 . 0 0 "[ . 1 . 2]" 1
464 1 29 GLU QB 1 30 LEU H 2.650 . 2.920 2.895 2.748 2.951 0.031 2 0 "[ . 1 . 2]" 1
465 1 29 GLU QB 1 31 ARG H 5.000 . 5.500 4.678 4.456 4.859 . 0 0 "[ . 1 . 2]" 1
466 1 29 GLU QB 1 32 HIS H 5.000 . 5.500 5.054 4.467 5.430 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLU QG 1 30 LEU H 5.000 . 5.500 4.183 3.963 4.417 . 0 0 "[ . 1 . 2]" 1
468 1 30 LEU H 1 30 LEU HG 5.000 . 5.500 4.356 3.906 4.485 . 0 0 "[ . 1 . 2]" 1
469 1 30 LEU H 1 31 ARG QB 5.000 . 5.500 4.074 3.904 4.650 . 0 0 "[ . 1 . 2]" 1
470 1 30 LEU HA 1 30 LEU QB 2.490 . 2.740 2.415 2.317 2.545 . 0 0 "[ . 1 . 2]" 1
471 1 30 LEU HA 1 30 LEU QD 2.260 . 2.790 2.241 1.873 2.640 . 0 0 "[ . 1 . 2]" 1
472 1 30 LEU HA 1 30 LEU HG 3.190 . 3.510 2.682 2.251 3.297 . 0 0 "[ . 1 . 2]" 1
473 1 30 LEU HA 1 31 ARG H 5.000 . 5.500 3.469 3.269 3.538 . 0 0 "[ . 1 . 2]" 1
474 1 30 LEU HA 1 33 VAL H 5.000 . 5.500 3.751 3.144 4.136 . 0 0 "[ . 1 . 2]" 1
475 1 30 LEU HA 1 33 VAL QG 5.000 . 5.800 4.077 3.339 4.631 . 0 0 "[ . 1 . 2]" 1
476 1 30 LEU HA 1 34 MET H 5.000 . 5.500 4.163 3.255 5.214 . 0 0 "[ . 1 . 2]" 1
477 1 30 LEU HA 1 50 ILE MD 5.000 . 5.800 5.425 4.794 5.819 0.019 7 0 "[ . 1 . 2]" 1
478 1 30 LEU QD 1 31 ARG H 5.000 . 5.800 4.040 3.562 4.440 . 0 0 "[ . 1 . 2]" 1
479 1 30 LEU QD 1 46 VAL H 5.000 . 5.800 5.489 4.387 5.771 . 0 0 "[ . 1 . 2]" 1
480 1 30 LEU QD 1 46 VAL HA 2.950 . 3.540 3.309 1.866 3.555 0.015 10 0 "[ . 1 . 2]" 1
481 1 30 LEU QD 1 49 MET H 5.000 . 5.800 4.287 3.323 4.665 . 0 0 "[ . 1 . 2]" 1
482 1 30 LEU QD 1 49 MET QB 2.210 . 2.730 2.371 1.793 2.744 0.014 19 0 "[ . 1 . 2]" 1
483 1 30 LEU QD 1 50 ILE H 5.000 . 5.800 3.592 2.890 4.083 . 0 0 "[ . 1 . 2]" 1
484 1 30 LEU MD1 1 34 MET H 5.000 . 5.800 4.723 3.411 5.840 0.040 11 0 "[ . 1 . 2]" 1
485 1 30 LEU MD2 1 34 MET H 5.000 . 5.800 4.956 2.810 5.839 0.039 20 0 "[ . 1 . 2]" 1
486 1 30 LEU HG 1 34 MET H 5.000 . 5.500 4.452 3.780 5.504 0.004 14 0 "[ . 1 . 2]" 1
487 1 30 LEU HG 1 34 MET QG 5.000 . 5.500 2.845 1.761 5.113 0.039 17 0 "[ . 1 . 2]" 1
488 1 31 ARG H 1 31 ARG QB 2.140 . 2.350 2.197 2.062 2.563 0.213 18 0 "[ . 1 . 2]" 1
489 1 31 ARG H 1 31 ARG HD2 5.000 . 5.500 5.069 4.125 5.602 0.102 19 0 "[ . 1 . 2]" 1
490 1 31 ARG H 1 31 ARG HD3 5.000 . 5.500 4.923 4.193 5.607 0.107 7 0 "[ . 1 . 2]" 1
491 1 31 ARG H 1 32 HIS H 5.000 . 5.500 2.439 2.221 2.645 . 0 0 "[ . 1 . 2]" 1
492 1 31 ARG H 1 33 VAL QG 5.000 . 5.800 5.479 5.013 5.857 0.057 20 0 "[ . 1 . 2]" 1
493 1 31 ARG H 1 46 VAL QG 5.000 . 5.800 3.365 2.860 3.695 . 0 0 "[ . 1 . 2]" 1
494 1 31 ARG HA 1 31 ARG QB 2.260 . 2.490 2.269 2.199 2.323 . 0 0 "[ . 1 . 2]" 1
495 1 31 ARG HA 1 31 ARG QG 2.600 . 2.860 2.657 2.507 2.879 0.019 1 0 "[ . 1 . 2]" 1
496 1 31 ARG HA 1 32 HIS H 5.000 . 5.500 3.491 3.370 3.583 . 0 0 "[ . 1 . 2]" 1
497 1 31 ARG HA 1 33 VAL H 5.000 . 5.500 4.231 3.872 5.210 . 0 0 "[ . 1 . 2]" 1
498 1 31 ARG HA 1 34 MET H 4.550 . 5.010 3.415 2.920 4.774 . 0 0 "[ . 1 . 2]" 1
499 1 31 ARG HA 1 34 MET QB 3.300 . 3.630 2.325 1.823 3.367 . 0 0 "[ . 1 . 2]" 1
500 1 31 ARG HA 1 35 THR H 5.000 . 5.500 4.110 2.586 5.474 . 0 0 "[ . 1 . 2]" 1
501 1 31 ARG HA 1 41 LEU QD 3.140 . 3.750 3.385 2.592 3.833 0.083 18 0 "[ . 1 . 2]" 1
502 1 31 ARG HA 1 46 VAL QG 2.630 . 3.190 2.945 2.276 3.210 0.020 6 0 "[ . 1 . 2]" 1
503 1 31 ARG QB 1 31 ARG QD 3.260 . 3.590 2.214 1.991 2.636 . 0 0 "[ . 1 . 2]" 1
504 1 31 ARG QB 1 32 HIS H 5.000 . 5.500 2.888 2.292 3.448 . 0 0 "[ . 1 . 2]" 1
505 1 31 ARG QB 1 46 VAL QG 2.580 . 3.140 2.301 1.764 3.183 0.043 18 0 "[ . 1 . 2]" 1
506 1 31 ARG QD 1 32 HIS H 5.000 . 5.500 4.522 2.482 5.307 . 0 0 "[ . 1 . 2]" 1
507 1 31 ARG QG 1 32 HIS H 3.060 . 3.370 3.363 2.874 3.465 0.095 18 0 "[ . 1 . 2]" 1
508 1 32 HIS H 1 32 HIS QB 2.230 . 2.450 2.273 2.228 2.549 0.099 17 0 "[ . 1 . 2]" 1
509 1 32 HIS H 1 32 HIS HD2 5.000 . 5.500 5.099 4.795 5.291 . 0 0 "[ . 1 . 2]" 1
510 1 32 HIS H 1 33 VAL QG 5.000 . 5.800 4.315 3.880 4.763 . 0 0 "[ . 1 . 2]" 1
511 1 32 HIS HA 1 32 HIS HD2 5.000 . 5.500 4.594 2.357 4.892 . 0 0 "[ . 1 . 2]" 1
512 1 32 HIS HA 1 33 VAL H 5.000 . 5.500 3.553 3.510 3.592 . 0 0 "[ . 1 . 2]" 1
513 1 32 HIS QB 1 32 HIS HD2 3.020 . 3.320 2.714 2.677 3.172 . 0 0 "[ . 1 . 2]" 1
514 1 32 HIS QB 1 33 VAL H 2.630 . 2.890 2.713 2.366 3.202 0.312 17 0 "[ . 1 . 2]" 1
515 1 32 HIS QB 1 34 MET H 5.000 . 5.500 4.696 4.230 5.377 . 0 0 "[ . 1 . 2]" 1
516 1 32 HIS HD2 1 33 VAL H 5.000 . 5.500 4.235 3.250 4.936 . 0 0 "[ . 1 . 2]" 1
517 1 32 HIS HD2 1 33 VAL HA 4.420 . 4.860 4.462 3.558 4.899 0.039 20 0 "[ . 1 . 2]" 1
518 1 32 HIS HD2 1 33 VAL QG 5.000 . 5.800 2.543 1.874 4.216 . 0 0 "[ . 1 . 2]" 1
519 1 33 VAL H 1 33 VAL HA 2.660 . 2.930 2.956 2.870 2.984 0.054 3 0 "[ . 1 . 2]" 1
520 1 33 VAL H 1 33 VAL HB 2.300 . 2.530 2.503 2.148 2.622 0.092 20 0 "[ . 1 . 2]" 1
521 1 33 VAL H 1 33 VAL QG 2.440 . 2.980 2.518 2.241 2.856 . 0 0 "[ . 1 . 2]" 1
522 1 33 VAL H 1 34 MET H 2.740 . 3.010 2.321 2.019 3.014 0.004 5 0 "[ . 1 . 2]" 1
523 1 33 VAL H 1 34 MET QB 5.000 . 5.500 4.136 3.837 4.411 . 0 0 "[ . 1 . 2]" 1
524 1 33 VAL H 1 34 MET QG 5.000 . 5.500 4.384 3.510 5.194 . 0 0 "[ . 1 . 2]" 1
525 1 33 VAL HA 1 33 VAL QG 2.280 . 2.810 2.067 2.009 2.135 . 0 0 "[ . 1 . 2]" 1
526 1 33 VAL HA 1 34 MET H 3.110 . 3.420 3.441 2.847 3.557 0.137 17 0 "[ . 1 . 2]" 1
527 1 33 VAL HA 1 35 THR H 5.000 . 5.500 3.770 3.252 4.822 . 0 0 "[ . 1 . 2]" 1
528 1 33 VAL HA 1 36 ASN H 2.880 . 3.170 3.157 2.821 3.261 0.091 19 0 "[ . 1 . 2]" 1
529 1 33 VAL HA 1 36 ASN QB 5.000 . 5.500 2.881 1.828 4.621 . 0 0 "[ . 1 . 2]" 1
530 1 33 VAL QG 1 34 MET H 3.240 . 3.860 3.312 2.689 3.739 . 0 0 "[ . 1 . 2]" 1
531 1 33 VAL MG1 1 35 THR H 5.000 . 5.800 4.562 4.091 5.207 . 0 0 "[ . 1 . 2]" 1
532 1 33 VAL MG2 1 35 THR H 5.000 . 5.800 5.161 4.912 5.749 . 0 0 "[ . 1 . 2]" 1
533 1 34 MET H 1 34 MET HA 2.740 . 3.010 2.856 2.714 2.959 . 0 0 "[ . 1 . 2]" 1
534 1 34 MET H 1 34 MET QB 2.530 . 2.780 2.301 2.156 2.723 . 0 0 "[ . 1 . 2]" 1
535 1 34 MET H 1 34 MET QG 2.610 . 2.870 2.609 1.861 2.924 0.054 14 0 "[ . 1 . 2]" 1
536 1 34 MET H 1 36 ASN H 5.000 . 5.500 4.093 3.641 4.401 . 0 0 "[ . 1 . 2]" 1
537 1 34 MET HB2 1 35 THR H 5.000 . 5.500 3.270 2.442 4.096 . 0 0 "[ . 1 . 2]" 1
538 1 34 MET HB3 1 35 THR H 5.000 . 5.500 3.746 2.897 4.223 . 0 0 "[ . 1 . 2]" 1
539 1 34 MET QG 1 41 LEU QD 2.980 . 3.580 2.827 1.779 3.622 0.042 20 0 "[ . 1 . 2]" 1
540 1 34 MET HG2 1 35 THR H 5.000 . 5.500 4.571 2.411 5.059 . 0 0 "[ . 1 . 2]" 1
541 1 34 MET HG3 1 35 THR H 5.000 . 5.500 4.799 1.889 5.516 0.016 12 0 "[ . 1 . 2]" 1
542 1 35 THR H 1 35 THR HA 2.730 . 3.000 2.940 2.830 2.973 . 0 0 "[ . 1 . 2]" 1
543 1 35 THR H 1 35 THR HB 2.690 . 2.960 2.766 2.120 3.137 0.177 3 0 "[ . 1 . 2]" 1
544 1 35 THR H 1 35 THR MG 2.750 . 3.320 2.613 1.795 3.536 0.216 10 0 "[ . 1 . 2]" 1
545 1 35 THR H 1 36 ASN QB 5.000 . 5.500 4.175 3.880 4.662 . 0 0 "[ . 1 . 2]" 1
546 1 35 THR HA 1 35 THR MG 2.470 . 3.020 2.814 1.902 3.178 0.158 1 0 "[ . 1 . 2]" 1
547 1 35 THR HA 1 36 ASN H 5.000 . 5.500 3.452 3.202 3.541 . 0 0 "[ . 1 . 2]" 1
548 1 35 THR HA 1 37 LEU H 5.000 . 5.500 4.235 3.164 5.178 . 0 0 "[ . 1 . 2]" 1
549 1 35 THR HA 1 40 LYS HA 5.000 . 5.500 3.428 2.055 5.388 . 0 0 "[ . 1 . 2]" 1
550 1 35 THR HB 1 35 THR MG 2.100 . 2.610 2.124 2.099 2.146 . 0 0 "[ . 1 . 2]" 1
551 1 35 THR HB 1 36 ASN H 5.000 . 5.500 3.782 2.928 4.382 . 0 0 "[ . 1 . 2]" 1
552 1 35 THR HB 1 38 GLY H 5.000 . 5.500 5.292 4.181 5.559 0.059 3 0 "[ . 1 . 2]" 1
553 1 35 THR MG 1 36 ASN H 5.000 . 5.800 2.817 1.853 4.457 . 0 0 "[ . 1 . 2]" 1
554 1 35 THR MG 1 38 GLY H 5.000 . 5.800 4.585 3.219 5.009 . 0 0 "[ . 1 . 2]" 1
555 1 35 THR MG 1 40 LYS HA 5.000 . 5.800 3.877 1.770 5.573 0.030 10 0 "[ . 1 . 2]" 1
556 1 35 THR MG 1 41 LEU H 5.000 . 5.800 4.750 2.980 5.841 0.041 8 0 "[ . 1 . 2]" 1
557 1 36 ASN H 1 36 ASN QB 2.310 . 2.540 2.277 2.067 2.770 0.230 17 0 "[ . 1 . 2]" 1
558 1 36 ASN H 1 37 LEU QD 5.000 . 5.800 4.690 3.448 5.603 . 0 0 "[ . 1 . 2]" 1
559 1 36 ASN H 1 41 LEU QD 5.000 . 5.800 5.577 4.615 5.828 0.028 1 0 "[ . 1 . 2]" 1
560 1 36 ASN HA 1 38 GLY H 5.000 . 5.500 4.656 3.733 5.508 0.008 10 0 "[ . 1 . 2]" 1
561 1 36 ASN QB 1 37 LEU H 5.000 . 5.500 2.973 1.830 4.039 . 0 0 "[ . 1 . 2]" 1
562 1 36 ASN QB 1 37 LEU HG 3.460 . 3.810 3.114 2.197 3.851 0.041 17 0 "[ . 1 . 2]" 1
563 1 36 ASN QB 1 38 GLY H 5.000 . 5.500 4.307 3.818 5.166 . 0 0 "[ . 1 . 2]" 1
564 1 37 LEU H 1 37 LEU HA 2.650 . 2.920 2.819 2.344 2.984 0.064 7 0 "[ . 1 . 2]" 1
565 1 37 LEU QB 1 37 LEU QD 2.220 . 2.740 1.849 1.760 1.946 0.040 6 0 "[ . 1 . 2]" 1
566 1 37 LEU HB2 1 39 GLU H 5.000 . 5.500 5.130 3.194 5.571 0.071 17 0 "[ . 1 . 2]" 1
567 1 37 LEU HB3 1 39 GLU H 5.000 . 5.500 5.364 4.376 5.622 0.122 16 0 "[ . 1 . 2]" 1
568 1 37 LEU QD 1 37 LEU HG 2.080 . 2.590 1.901 1.886 1.917 . 0 0 "[ . 1 . 2]" 1
569 1 37 LEU QD 1 38 GLY H 5.000 . 5.800 3.878 2.664 4.448 . 0 0 "[ . 1 . 2]" 1
570 1 38 GLY H 1 38 GLY QA 2.540 . 2.790 2.378 2.282 2.481 . 0 0 "[ . 1 . 2]" 1
571 1 38 GLY H 1 39 GLU QG 5.000 . 5.500 4.606 3.160 5.421 . 0 0 "[ . 1 . 2]" 1
572 1 38 GLY QA 1 39 GLU H 3.450 . 3.800 2.802 2.592 2.917 . 0 0 "[ . 1 . 2]" 1
573 1 39 GLU H 1 39 GLU HA 2.530 . 2.780 2.436 2.344 2.920 0.140 10 0 "[ . 1 . 2]" 1
574 1 39 GLU H 1 39 GLU QG 2.510 . 2.760 2.537 2.054 2.787 0.027 12 0 "[ . 1 . 2]" 1
575 1 39 GLU H 1 40 LYS H 5.000 . 5.500 4.139 2.253 4.691 . 0 0 "[ . 1 . 2]" 1
576 1 39 GLU H 1 41 LEU QD 5.000 . 5.800 5.071 4.300 5.835 0.035 19 0 "[ . 1 . 2]" 1
577 1 39 GLU HA 1 39 GLU QG 3.020 . 3.320 2.562 2.182 3.301 . 0 0 "[ . 1 . 2]" 1
578 1 39 GLU QB 1 40 LYS H 5.000 . 5.500 2.613 1.803 4.005 . 0 0 "[ . 1 . 2]" 1
579 1 39 GLU QG 1 40 LYS H 5.000 . 5.500 4.052 3.142 4.512 . 0 0 "[ . 1 . 2]" 1
580 1 40 LYS H 1 40 LYS QB 2.340 . 2.570 2.470 2.084 2.800 0.230 12 0 "[ . 1 . 2]" 1
581 1 40 LYS H 1 41 LEU QD 5.000 . 5.800 4.435 3.206 4.913 . 0 0 "[ . 1 . 2]" 1
582 1 40 LYS HA 1 41 LEU H 2.220 . 2.440 2.313 2.175 2.515 0.075 16 0 "[ . 1 . 2]" 1
583 1 40 LYS QD 1 40 LYS QG 2.330 . 2.560 2.056 2.034 2.096 . 0 0 "[ . 1 . 2]" 1
584 1 40 LYS QG 1 41 LEU H 5.000 . 5.500 3.717 2.507 4.390 . 0 0 "[ . 1 . 2]" 1
585 1 41 LEU H 1 41 LEU QB 2.410 . 2.650 2.466 2.094 2.797 0.147 19 0 "[ . 1 . 2]" 1
586 1 41 LEU H 1 41 LEU QD 3.010 . 3.610 2.524 1.759 3.587 0.041 8 0 "[ . 1 . 2]" 1
587 1 41 LEU H 1 42 THR H 5.000 . 5.500 4.540 4.203 4.690 . 0 0 "[ . 1 . 2]" 1
588 1 41 LEU H 1 46 VAL QG 5.000 . 5.800 4.613 3.545 5.852 0.052 19 0 "[ . 1 . 2]" 1
589 1 41 LEU QB 1 41 LEU QD 2.380 . 2.920 1.841 1.722 1.993 0.078 3 0 "[ . 1 . 2]" 1
590 1 41 LEU QB 1 42 THR H 3.340 . 3.670 2.825 1.796 3.651 0.004 19 0 "[ . 1 . 2]" 1
591 1 41 LEU QB 1 45 GLU H 5.000 . 5.500 4.704 4.144 5.509 0.009 18 0 "[ . 1 . 2]" 1
592 1 41 LEU QB 1 46 VAL H 3.360 . 3.700 3.657 3.135 3.806 0.106 13 0 "[ . 1 . 2]" 1
593 1 41 LEU QB 1 46 VAL HA 5.000 . 5.500 3.740 2.894 4.608 . 0 0 "[ . 1 . 2]" 1
594 1 41 LEU HB2 1 46 VAL H 5.000 . 5.500 4.523 3.777 5.547 0.047 18 0 "[ . 1 . 2]" 1
595 1 41 LEU QD 1 42 THR H 3.310 . 3.940 3.525 1.889 3.990 0.050 11 0 "[ . 1 . 2]" 1
596 1 41 LEU QD 1 45 GLU H 5.000 . 5.800 4.529 3.763 5.310 . 0 0 "[ . 1 . 2]" 1
597 1 41 LEU QD 1 45 GLU QB 3.110 . 3.720 2.838 1.987 3.605 . 0 0 "[ . 1 . 2]" 1
598 1 41 LEU QD 1 45 GLU QG 3.030 . 3.630 2.731 1.777 3.720 0.090 8 0 "[ . 1 . 2]" 1
599 1 41 LEU QD 1 46 VAL H 5.000 . 5.800 3.149 2.219 4.333 . 0 0 "[ . 1 . 2]" 1
600 1 41 LEU QD 1 46 VAL HA 3.010 . 3.610 2.244 1.778 3.068 0.022 7 0 "[ . 1 . 2]" 1
601 1 41 LEU QD 1 46 VAL QG 2.430 . 3.270 2.021 1.628 2.582 0.172 19 0 "[ . 1 . 2]" 1
602 1 41 LEU QD 1 49 MET QB 2.260 . 2.790 2.867 2.824 2.940 0.150 20 0 "[ . 1 . 2]" 1
603 1 41 LEU QD 1 49 MET QG 5.000 . 5.800 2.127 1.758 2.861 0.042 15 0 "[ . 1 . 2]" 1
604 1 42 THR H 1 42 THR MG 2.510 . 3.060 2.284 1.786 3.003 0.014 6 0 "[ . 1 . 2]" 1
605 1 42 THR H 1 43 ASP H 5.000 . 5.500 4.407 4.164 4.660 . 0 0 "[ . 1 . 2]" 1
606 1 42 THR H 1 45 GLU H 3.690 . 4.060 3.727 3.315 4.047 . 0 0 "[ . 1 . 2]" 1
607 1 42 THR H 1 45 GLU HA 5.000 . 5.500 5.055 4.714 5.326 . 0 0 "[ . 1 . 2]" 1
608 1 42 THR H 1 45 GLU QB 2.570 . 2.830 2.281 1.847 2.887 0.057 14 0 "[ . 1 . 2]" 1
609 1 42 THR H 1 45 GLU QG 2.750 . 3.030 2.537 1.778 3.079 0.049 11 0 "[ . 1 . 2]" 1
610 1 42 THR H 1 46 VAL H 4.010 . 4.410 4.005 2.925 4.441 0.031 7 0 "[ . 1 . 2]" 1
611 1 42 THR H 1 46 VAL QG 3.870 . 4.560 3.873 2.666 4.603 0.043 16 0 "[ . 1 . 2]" 1
612 1 42 THR HA 1 42 THR MG 2.470 . 3.020 2.829 2.044 3.178 0.158 1 0 "[ . 1 . 2]" 1
613 1 42 THR HA 1 43 ASP H 2.710 . 2.980 2.787 2.490 3.019 0.039 9 0 "[ . 1 . 2]" 1
614 1 42 THR HA 1 44 GLU H 5.000 . 5.500 5.041 4.678 5.313 . 0 0 "[ . 1 . 2]" 1
615 1 42 THR MG 1 43 ASP H 3.460 . 4.110 3.061 1.875 3.845 . 0 0 "[ . 1 . 2]" 1
616 1 42 THR MG 1 44 GLU H 3.870 . 4.560 3.466 1.867 4.631 0.071 12 0 "[ . 1 . 2]" 1
617 1 42 THR MG 1 45 GLU H 5.000 . 5.800 2.956 1.757 4.604 0.043 17 0 "[ . 1 . 2]" 1
618 1 43 ASP H 1 43 ASP HA 2.830 . 3.110 2.902 2.786 2.949 . 0 0 "[ . 1 . 2]" 1
619 1 43 ASP H 1 43 ASP HB2 2.980 . 3.280 2.205 2.161 2.276 . 0 0 "[ . 1 . 2]" 1
620 1 43 ASP H 1 44 GLU H 3.100 . 3.410 2.653 2.399 2.991 . 0 0 "[ . 1 . 2]" 1
621 1 43 ASP H 1 44 GLU QB 5.000 . 5.500 4.463 4.125 5.259 . 0 0 "[ . 1 . 2]" 1
622 1 43 ASP H 1 45 GLU H 5.000 . 5.500 3.728 3.385 4.418 . 0 0 "[ . 1 . 2]" 1
623 1 43 ASP H 1 46 VAL H 5.000 . 5.500 4.528 4.294 4.763 . 0 0 "[ . 1 . 2]" 1
624 1 43 ASP H 1 46 VAL QG 5.000 . 5.800 4.331 3.530 4.613 . 0 0 "[ . 1 . 2]" 1
625 1 43 ASP HA 1 43 ASP HB2 2.600 . 2.860 2.973 2.962 2.995 0.135 1 0 "[ . 1 . 2]" 1
626 1 43 ASP HA 1 44 GLU H 3.330 . 3.660 3.577 3.558 3.591 . 0 0 "[ . 1 . 2]" 1
627 1 43 ASP HA 1 45 GLU H 5.000 . 5.500 3.923 3.656 4.438 . 0 0 "[ . 1 . 2]" 1
628 1 43 ASP HA 1 46 VAL H 3.110 . 3.420 3.285 3.050 3.447 0.027 5 0 "[ . 1 . 2]" 1
629 1 43 ASP HA 1 46 VAL HB 2.490 . 2.740 2.656 2.204 2.796 0.056 18 0 "[ . 1 . 2]" 1
630 1 43 ASP HB2 1 44 GLU H 3.380 . 3.720 2.579 2.432 2.675 . 0 0 "[ . 1 . 2]" 1
631 1 43 ASP HB2 1 45 GLU H 5.000 . 5.500 4.724 4.568 5.102 . 0 0 "[ . 1 . 2]" 1
632 1 43 ASP HB2 1 46 VAL H 5.000 . 5.500 5.476 5.301 5.564 0.064 9 0 "[ . 1 . 2]" 1
633 1 43 ASP HB3 1 44 GLU H 2.800 . 3.080 3.028 2.752 3.131 0.051 8 0 "[ . 1 . 2]" 1
634 1 43 ASP HB3 1 45 GLU H 5.000 . 5.500 4.891 4.725 5.129 . 0 0 "[ . 1 . 2]" 1
635 1 44 GLU H 1 44 GLU HA 2.740 . 3.010 2.835 2.746 2.913 . 0 0 "[ . 1 . 2]" 1
636 1 44 GLU H 1 44 GLU QB 2.490 . 2.740 2.257 2.054 2.627 . 0 0 "[ . 1 . 2]" 1
637 1 44 GLU H 1 44 GLU QG 3.120 . 3.430 2.900 1.854 3.454 0.024 20 0 "[ . 1 . 2]" 1
638 1 44 GLU H 1 45 GLU H 2.730 . 3.000 2.690 2.436 2.957 . 0 0 "[ . 1 . 2]" 1
639 1 44 GLU H 1 46 VAL H 3.970 . 4.370 4.311 4.112 4.418 0.048 14 0 "[ . 1 . 2]" 1
640 1 44 GLU H 1 46 VAL HB 5.000 . 5.500 5.266 4.897 5.492 . 0 0 "[ . 1 . 2]" 1
641 1 44 GLU H 1 46 VAL QG 5.000 . 5.800 5.040 4.494 5.301 . 0 0 "[ . 1 . 2]" 1
642 1 44 GLU HA 1 44 GLU QB 2.290 . 2.520 2.429 2.180 2.543 0.023 2 0 "[ . 1 . 2]" 1
643 1 44 GLU HA 1 45 GLU H 3.070 . 3.380 3.446 3.391 3.519 0.139 14 0 "[ . 1 . 2]" 1
644 1 44 GLU HA 1 47 ASP H 5.000 . 5.500 4.081 3.355 4.653 . 0 0 "[ . 1 . 2]" 1
645 1 44 GLU HA 1 47 ASP QB 5.000 . 5.500 3.470 2.502 4.385 . 0 0 "[ . 1 . 2]" 1
646 1 44 GLU QB 1 45 GLU H 2.900 . 3.190 3.094 2.665 3.305 0.115 15 0 "[ . 1 . 2]" 1
647 1 45 GLU H 1 45 GLU HA 2.640 . 2.900 2.931 2.850 2.964 0.064 2 0 "[ . 1 . 2]" 1
648 1 45 GLU H 1 45 GLU QB 2.230 . 2.450 2.405 2.251 2.666 0.216 20 0 "[ . 1 . 2]" 1
649 1 45 GLU H 1 46 VAL H 2.810 . 3.090 2.369 2.187 2.754 . 0 0 "[ . 1 . 2]" 1
650 1 45 GLU H 1 46 VAL QG 5.000 . 5.800 4.029 3.655 4.412 . 0 0 "[ . 1 . 2]" 1
651 1 45 GLU H 1 47 ASP H 5.000 . 5.500 4.243 3.667 4.829 . 0 0 "[ . 1 . 2]" 1
652 1 45 GLU H 1 48 GLU H 5.000 . 5.500 4.852 4.387 5.322 . 0 0 "[ . 1 . 2]" 1
653 1 45 GLU HA 1 46 VAL H 5.000 . 5.500 3.542 3.513 3.563 . 0 0 "[ . 1 . 2]" 1
654 1 45 GLU QB 1 46 VAL H 2.590 . 2.850 2.528 2.274 2.807 . 0 0 "[ . 1 . 2]" 1
655 1 45 GLU QB 1 46 VAL QG 3.930 . 4.620 3.391 2.910 3.858 . 0 0 "[ . 1 . 2]" 1
656 1 45 GLU QG 1 46 VAL H 3.000 . 3.300 3.382 3.297 3.501 0.201 15 0 "[ . 1 . 2]" 1
657 1 46 VAL HA 1 46 VAL HB 2.780 . 3.060 3.024 3.006 3.038 . 0 0 "[ . 1 . 2]" 1
658 1 46 VAL HA 1 46 VAL QG 2.150 . 2.670 2.074 1.992 2.131 . 0 0 "[ . 1 . 2]" 1
659 1 46 VAL HA 1 48 GLU H 5.000 . 5.500 4.142 3.801 4.754 . 0 0 "[ . 1 . 2]" 1
660 1 46 VAL HA 1 49 MET H 3.050 . 3.350 3.271 3.129 3.427 0.077 8 0 "[ . 1 . 2]" 1
661 1 46 VAL HA 1 49 MET QB 2.550 . 2.810 2.596 2.182 2.841 0.031 9 0 "[ . 1 . 2]" 1
662 1 46 VAL HA 1 49 MET QG 3.830 . 4.210 3.242 2.346 4.230 0.020 19 0 "[ . 1 . 2]" 1
663 1 46 VAL HA 1 50 ILE H 4.070 . 4.480 4.364 4.171 4.487 0.007 3 0 "[ . 1 . 2]" 1
664 1 46 VAL QG 1 48 GLU H 5.000 . 5.800 4.308 4.109 4.710 . 0 0 "[ . 1 . 2]" 1
665 1 46 VAL QG 1 49 MET H 5.000 . 5.800 4.058 3.912 4.220 . 0 0 "[ . 1 . 2]" 1
666 1 46 VAL QG 1 49 MET QB 2.840 . 3.420 3.292 2.906 3.481 0.061 20 0 "[ . 1 . 2]" 1
667 1 46 VAL MG1 1 50 ILE H 5.000 . 5.800 4.019 3.721 4.235 . 0 0 "[ . 1 . 2]" 1
668 1 46 VAL MG2 1 50 ILE H 5.000 . 5.800 5.722 5.562 5.854 0.054 8 0 "[ . 1 . 2]" 1
669 1 47 ASP H 1 47 ASP HA 2.520 . 2.770 2.812 2.752 2.869 0.099 13 0 "[ . 1 . 2]" 1
670 1 47 ASP H 1 47 ASP QB 2.350 . 2.590 2.223 2.071 2.535 . 0 0 "[ . 1 . 2]" 1
671 1 47 ASP H 1 48 GLU H 2.660 . 2.930 2.785 2.547 2.957 0.027 19 0 "[ . 1 . 2]" 1
672 1 47 ASP H 1 49 MET H 5.000 . 5.500 4.233 3.721 4.750 . 0 0 "[ . 1 . 2]" 1
673 1 47 ASP HA 1 47 ASP QB 2.640 . 2.900 2.471 2.333 2.550 . 0 0 "[ . 1 . 2]" 1
674 1 47 ASP HA 1 48 GLU H 5.000 . 5.500 3.526 3.467 3.585 . 0 0 "[ . 1 . 2]" 1
675 1 47 ASP HA 1 49 MET H 5.000 . 5.500 4.336 3.709 4.987 . 0 0 "[ . 1 . 2]" 1
676 1 47 ASP HA 1 50 ILE H 5.000 . 5.500 3.405 3.131 3.626 . 0 0 "[ . 1 . 2]" 1
677 1 47 ASP HA 1 50 ILE HB 2.280 . 2.510 2.586 2.551 2.632 0.122 8 0 "[ . 1 . 2]" 1
678 1 47 ASP HA 1 50 ILE MD 2.800 . 3.380 3.199 2.719 3.395 0.015 20 0 "[ . 1 . 2]" 1
679 1 47 ASP HA 1 51 ARG H 5.000 . 5.500 4.095 3.650 4.279 . 0 0 "[ . 1 . 2]" 1
680 1 47 ASP QB 1 48 GLU H 2.580 . 2.840 2.770 2.480 2.920 0.080 10 0 "[ . 1 . 2]" 1
681 1 47 ASP QB 1 51 ARG H 5.000 . 5.500 4.862 4.523 5.339 . 0 0 "[ . 1 . 2]" 1
682 1 48 GLU HA 1 51 ARG QB 2.350 . 2.590 2.512 2.125 2.662 0.072 18 0 "[ . 1 . 2]" 1
683 1 49 MET H 1 49 MET QG 2.600 . 2.860 2.602 2.045 2.926 0.066 11 0 "[ . 1 . 2]" 1
684 1 49 MET H 1 50 ILE MD 5.000 . 5.800 5.589 5.272 5.813 0.013 20 0 "[ . 1 . 2]" 1
685 1 49 MET H 1 50 ILE HG12 5.000 . 5.500 5.519 5.499 5.547 0.047 18 0 "[ . 1 . 2]" 1
686 1 49 MET H 1 50 ILE HG13 5.000 . 5.500 4.362 4.160 4.557 . 0 0 "[ . 1 . 2]" 1
687 1 49 MET HA 1 49 MET QB 2.060 . 2.270 2.418 2.350 2.493 0.223 20 0 "[ . 1 . 2]" 1
688 1 49 MET QB 1 50 ILE H 2.660 . 2.930 2.894 2.744 2.973 0.043 11 0 "[ . 1 . 2]" 1
689 1 49 MET QG 1 50 ILE H 5.000 . 5.500 4.266 4.008 4.519 . 0 0 "[ . 1 . 2]" 1
690 1 50 ILE H 1 50 ILE HA 2.500 . 2.750 2.908 2.875 2.934 0.184 13 0 "[ . 1 . 2]" 1
691 1 50 ILE H 1 50 ILE QG 2.580 . 2.840 2.570 2.437 2.709 . 0 0 "[ . 1 . 2]" 1
692 1 50 ILE HA 1 50 ILE QG 2.620 . 2.880 2.195 2.134 2.240 . 0 0 "[ . 1 . 2]" 1
693 1 50 ILE HA 1 51 ARG H 3.170 . 3.490 3.520 3.501 3.538 0.048 1 0 "[ . 1 . 2]" 1
694 1 50 ILE HA 1 52 GLU H 5.000 . 5.500 3.773 3.544 4.101 . 0 0 "[ . 1 . 2]" 1
695 1 50 ILE HA 1 53 ALA H 2.980 . 3.280 3.137 2.946 3.290 0.010 10 0 "[ . 1 . 2]" 1
696 1 50 ILE HA 1 53 ALA MB 2.670 . 3.240 2.608 2.068 3.048 . 0 0 "[ . 1 . 2]" 1
697 1 50 ILE HA 1 54 ASP H 5.000 . 5.500 4.074 3.180 4.514 . 0 0 "[ . 1 . 2]" 1
698 1 50 ILE HA 1 61 VAL MG2 2.450 . 3.000 3.012 2.779 3.105 0.105 1 0 "[ . 1 . 2]" 1
699 1 50 ILE HB 1 50 ILE MD 2.140 . 2.650 2.555 2.437 2.648 . 0 0 "[ . 1 . 2]" 1
700 1 50 ILE HB 1 50 ILE QG 2.580 . 2.840 2.278 2.246 2.314 . 0 0 "[ . 1 . 2]" 1
701 1 50 ILE HB 1 51 ARG H 2.280 . 2.510 2.600 2.517 2.672 0.162 10 0 "[ . 1 . 2]" 1
702 1 50 ILE MD 1 61 VAL H 3.220 . 3.840 3.835 3.581 3.916 0.076 8 0 "[ . 1 . 2]" 1
703 1 50 ILE MD 1 61 VAL MG2 1.970 . 2.770 2.710 2.512 2.815 0.045 6 0 "[ . 1 . 2]" 1
704 1 50 ILE QG 1 51 ARG H 5.000 . 5.500 4.083 4.007 4.143 . 0 0 "[ . 1 . 2]" 1
705 1 50 ILE QG 1 53 ALA MB 4.030 . 4.730 3.937 3.412 4.337 . 0 0 "[ . 1 . 2]" 1
706 1 50 ILE MG 1 51 ARG HA 2.860 . 3.450 3.232 3.086 3.338 . 0 0 "[ . 1 . 2]" 1
707 1 50 ILE MG 1 53 ALA H 5.000 . 5.800 4.045 3.910 4.326 . 0 0 "[ . 1 . 2]" 1
708 1 50 ILE MG 1 53 ALA MB 5.000 . 6.100 3.501 3.115 3.933 . 0 0 "[ . 1 . 2]" 1
709 1 50 ILE MG 1 54 ASP H 5.000 . 5.800 3.535 2.915 3.981 . 0 0 "[ . 1 . 2]" 1
710 1 50 ILE MG 1 54 ASP QB 3.560 . 4.220 2.886 2.244 3.666 . 0 0 "[ . 1 . 2]" 1
711 1 50 ILE MG 1 59 GLY H 5.000 . 5.800 4.008 3.501 4.765 . 0 0 "[ . 1 . 2]" 1
712 1 50 ILE MG 1 59 GLY QA 5.000 . 5.800 2.937 2.347 3.912 . 0 0 "[ . 1 . 2]" 1
713 1 50 ILE MG 1 60 GLN H 5.000 . 5.800 3.688 2.976 4.547 . 0 0 "[ . 1 . 2]" 1
714 1 51 ARG H 1 51 ARG QB 2.150 . 2.360 2.163 2.072 2.298 . 0 0 "[ . 1 . 2]" 1
715 1 51 ARG H 1 51 ARG QD 5.000 . 5.500 4.188 3.418 4.689 . 0 0 "[ . 1 . 2]" 1
716 1 51 ARG H 1 51 ARG QG 2.940 . 3.230 2.926 2.485 3.231 0.001 6 0 "[ . 1 . 2]" 1
717 1 51 ARG H 1 52 GLU HG2 5.000 . 5.500 4.514 3.768 5.112 . 0 0 "[ . 1 . 2]" 1
718 1 51 ARG H 1 52 GLU HG3 5.000 . 5.500 4.640 3.762 5.421 . 0 0 "[ . 1 . 2]" 1
719 1 51 ARG H 1 53 ALA H 5.000 . 5.500 4.206 3.878 4.591 . 0 0 "[ . 1 . 2]" 1
720 1 51 ARG H 1 53 ALA MB 5.000 . 5.800 5.060 4.708 5.485 . 0 0 "[ . 1 . 2]" 1
721 1 51 ARG HA 1 51 ARG HE 5.000 . 5.500 4.568 2.943 5.512 0.012 18 0 "[ . 1 . 2]" 1
722 1 51 ARG QB 1 51 ARG HE 2.970 . 3.270 2.709 1.865 3.270 0.000 16 0 "[ . 1 . 2]" 1
723 1 51 ARG QB 1 52 GLU H 5.000 . 5.500 3.271 2.846 3.717 . 0 0 "[ . 1 . 2]" 1
724 1 51 ARG QB 1 53 ALA H 5.000 . 5.500 4.917 4.485 5.407 . 0 0 "[ . 1 . 2]" 1
725 1 51 ARG QD 1 52 GLU H 5.000 . 5.500 4.709 3.379 5.505 0.005 4 0 "[ . 1 . 2]" 1
726 1 51 ARG HE 1 51 ARG QG 3.510 . 3.860 2.587 2.118 3.293 . 0 0 "[ . 1 . 2]" 1
727 1 51 ARG HG2 1 52 GLU H 5.000 . 5.500 4.160 2.132 5.334 . 0 0 "[ . 1 . 2]" 1
728 1 51 ARG HG3 1 52 GLU H 5.000 . 5.500 4.051 2.008 5.471 . 0 0 "[ . 1 . 2]" 1
729 1 52 GLU H 1 53 ALA MB 3.280 . 3.910 3.954 3.912 4.025 0.115 2 0 "[ . 1 . 2]" 1
730 1 52 GLU H 1 54 ASP H 5.000 . 5.500 3.896 3.448 4.547 . 0 0 "[ . 1 . 2]" 1
731 1 52 GLU HA 1 52 GLU QB 2.050 . 2.250 2.266 2.193 2.361 0.111 2 0 "[ . 1 . 2]" 1
732 1 52 GLU QB 1 54 ASP H 5.000 . 5.500 4.840 4.250 5.487 . 0 0 "[ . 1 . 2]" 1
733 1 52 GLU QG 1 53 ALA H 5.000 . 5.500 3.369 1.845 4.035 . 0 0 "[ . 1 . 2]" 1
734 1 53 ALA H 1 53 ALA HA 2.740 . 3.010 2.950 2.900 2.981 . 0 0 "[ . 1 . 2]" 1
735 1 53 ALA H 1 53 ALA MB 2.260 . 2.790 2.141 2.062 2.358 . 0 0 "[ . 1 . 2]" 1
736 1 53 ALA H 1 54 ASP H 2.320 . 2.550 2.419 2.113 2.614 0.064 18 0 "[ . 1 . 2]" 1
737 1 53 ALA H 1 54 ASP QB 5.000 . 5.500 4.329 3.934 4.850 . 0 0 "[ . 1 . 2]" 1
738 1 53 ALA HA 1 53 ALA MB 2.070 . 2.580 2.120 2.109 2.146 . 0 0 "[ . 1 . 2]" 1
739 1 53 ALA HA 1 54 ASP H 3.520 . 3.870 3.436 3.213 3.588 . 0 0 "[ . 1 . 2]" 1
740 1 53 ALA MB 1 54 ASP H 2.620 . 3.180 2.883 2.135 3.342 0.162 2 0 "[ . 1 . 2]" 1
741 1 53 ALA MB 1 61 VAL MG2 2.510 . 3.360 2.132 1.792 2.585 0.008 11 0 "[ . 1 . 2]" 1
742 1 53 ALA MB 1 66 PHE H 5.000 . 5.800 5.038 4.296 5.708 . 0 0 "[ . 1 . 2]" 1
743 1 53 ALA MB 1 69 MET H 5.000 . 5.800 4.754 3.954 5.805 0.005 20 0 "[ . 1 . 2]" 1
744 1 54 ASP H 1 54 ASP HA 2.750 . 3.030 2.913 2.771 2.975 . 0 0 "[ . 1 . 2]" 1
745 1 54 ASP H 1 54 ASP QB 2.280 . 2.510 2.365 2.064 2.576 0.066 10 0 "[ . 1 . 2]" 1
746 1 54 ASP H 1 55 ILE H 5.000 . 5.500 4.599 4.537 4.704 . 0 0 "[ . 1 . 2]" 1
747 1 54 ASP HA 1 55 ILE H 2.320 . 2.550 2.345 2.180 2.580 0.030 7 0 "[ . 1 . 2]" 1
748 1 54 ASP QB 1 55 ILE H 3.030 . 3.330 2.920 2.225 3.433 0.103 18 0 "[ . 1 . 2]" 1
749 1 54 ASP QB 1 57 GLY H 5.000 . 5.500 3.028 2.232 4.427 . 0 0 "[ . 1 . 2]" 1
750 1 54 ASP HB2 1 56 ASP H 5.000 . 5.500 4.440 3.333 5.506 0.006 3 0 "[ . 1 . 2]" 1
751 1 54 ASP HB3 1 56 ASP H 5.000 . 5.500 4.443 2.898 5.483 . 0 0 "[ . 1 . 2]" 1
752 1 55 ILE H 1 55 ILE HA 2.650 . 2.920 2.937 2.781 2.979 0.059 11 0 "[ . 1 . 2]" 1
753 1 55 ILE H 1 55 ILE HB 2.220 . 2.440 2.508 2.440 2.565 0.125 7 0 "[ . 1 . 2]" 1
754 1 55 ILE H 1 55 ILE MD 3.060 . 3.670 3.308 2.627 3.589 . 0 0 "[ . 1 . 2]" 1
755 1 55 ILE H 1 55 ILE QG 2.600 . 2.860 2.330 2.020 2.785 . 0 0 "[ . 1 . 2]" 1
756 1 55 ILE H 1 56 ASP H 2.610 . 2.870 2.398 1.922 2.922 0.052 13 0 "[ . 1 . 2]" 1
757 1 55 ILE H 1 57 GLY H 5.000 . 5.500 3.779 3.278 4.299 . 0 0 "[ . 1 . 2]" 1
758 1 55 ILE H 1 61 VAL HA 5.000 . 5.500 5.081 3.057 5.459 . 0 0 "[ . 1 . 2]" 1
759 1 55 ILE H 1 61 VAL MG1 5.000 . 5.800 5.487 4.393 5.799 . 0 0 "[ . 1 . 2]" 1
760 1 55 ILE H 1 65 GLU QB 3.220 . 3.540 3.393 2.860 3.640 0.100 2 0 "[ . 1 . 2]" 1
761 1 55 ILE HA 1 55 ILE HB 2.920 . 3.210 3.023 3.003 3.030 . 0 0 "[ . 1 . 2]" 1
762 1 55 ILE HA 1 55 ILE QG 2.680 . 2.950 2.599 2.332 3.113 0.163 7 0 "[ . 1 . 2]" 1
763 1 55 ILE HA 1 56 ASP H 3.130 . 3.440 3.533 3.486 3.560 0.120 19 0 "[ . 1 . 2]" 1
764 1 55 ILE HB 1 55 ILE MD 2.460 . 3.010 2.462 1.920 3.177 0.167 3 0 "[ . 1 . 2]" 1
765 1 55 ILE HB 1 56 ASP H 2.620 . 2.880 2.395 1.919 2.834 . 0 0 "[ . 1 . 2]" 1
766 1 55 ILE HB 1 57 GLY H 5.000 . 5.500 4.624 3.656 5.107 . 0 0 "[ . 1 . 2]" 1
767 1 55 ILE HB 1 65 GLU QG 5.000 . 5.500 4.015 2.817 5.525 0.025 7 0 "[ . 1 . 2]" 1
768 1 55 ILE MD 1 56 ASP H 3.700 . 4.370 4.220 3.511 4.428 0.058 15 0 "[ . 1 . 2]" 1
769 1 55 ILE MD 1 65 GLU H 5.000 . 5.800 4.698 3.589 5.794 . 0 0 "[ . 1 . 2]" 1
770 1 55 ILE MD 1 65 GLU QG 3.460 . 4.110 2.910 1.832 4.197 0.087 7 0 "[ . 1 . 2]" 1
771 1 55 ILE QG 1 56 ASP H 3.720 . 4.090 3.894 3.567 4.127 0.037 10 0 "[ . 1 . 2]" 1
772 1 55 ILE QG 1 57 GLY H 5.000 . 5.500 5.534 5.417 5.573 0.073 4 0 "[ . 1 . 2]" 1
773 1 55 ILE MG 1 56 ASP H 3.090 . 3.700 3.364 2.840 3.717 0.017 20 0 "[ . 1 . 2]" 1
774 1 55 ILE MG 1 57 GLY H 5.000 . 5.800 5.076 4.422 5.446 . 0 0 "[ . 1 . 2]" 1
775 1 56 ASP H 1 56 ASP HA 2.790 . 3.070 2.908 2.813 2.988 . 0 0 "[ . 1 . 2]" 1
776 1 56 ASP H 1 56 ASP QB 2.830 . 3.110 2.566 2.063 3.222 0.112 13 0 "[ . 1 . 2]" 1
777 1 56 ASP H 1 57 GLY H 2.560 . 2.820 2.388 1.842 2.700 . 0 0 "[ . 1 . 2]" 1
778 1 56 ASP H 1 57 GLY QA 5.000 . 5.500 4.147 3.690 4.563 . 0 0 "[ . 1 . 2]" 1
779 1 56 ASP HA 1 57 GLY H 5.000 . 5.500 3.344 2.562 3.592 . 0 0 "[ . 1 . 2]" 1
780 1 56 ASP QB 1 57 GLY H 5.000 . 5.500 3.102 2.435 4.077 . 0 0 "[ . 1 . 2]" 1
781 1 57 GLY H 1 57 GLY QA 2.460 . 2.710 2.353 2.283 2.510 . 0 0 "[ . 1 . 2]" 1
782 1 57 GLY H 1 58 ASP H 2.630 . 2.890 2.287 1.895 3.016 0.126 3 0 "[ . 1 . 2]" 1
783 1 57 GLY H 1 59 GLY H 3.460 . 3.810 3.830 3.376 3.944 0.134 6 0 "[ . 1 . 2]" 1
784 1 57 GLY QA 1 58 ASP H 3.120 . 3.430 2.668 2.204 2.874 . 0 0 "[ . 1 . 2]" 1
785 1 57 GLY QA 1 59 GLY H 3.220 . 3.540 3.417 3.204 3.711 0.171 1 0 "[ . 1 . 2]" 1
786 1 58 ASP H 1 59 GLY H 2.560 . 2.820 2.191 1.713 2.385 0.087 1 0 "[ . 1 . 2]" 1
787 1 58 ASP H 1 59 GLY HA2 5.000 . 5.500 4.617 4.164 4.810 . 0 0 "[ . 1 . 2]" 1
788 1 58 ASP H 1 59 GLY HA3 5.000 . 5.500 4.972 4.550 5.130 . 0 0 "[ . 1 . 2]" 1
789 1 58 ASP H 1 60 GLN H 5.000 . 5.500 3.709 2.920 4.408 . 0 0 "[ . 1 . 2]" 1
790 1 58 ASP HA 1 58 ASP HB2 2.260 . 2.490 2.579 2.556 2.627 0.137 7 0 "[ . 1 . 2]" 1
791 1 58 ASP HA 1 58 ASP HB3 2.270 . 2.500 2.354 2.312 2.380 . 0 0 "[ . 1 . 2]" 1
792 1 58 ASP HA 1 59 GLY H 3.000 . 3.300 3.435 3.397 3.458 0.158 16 0 "[ . 1 . 2]" 1
793 1 58 ASP HB2 1 59 GLY H 3.320 . 3.650 3.720 3.685 3.742 0.092 7 0 "[ . 1 . 2]" 1
794 1 58 ASP HB3 1 59 GLY H 5.000 . 5.500 4.185 4.105 4.310 . 0 0 "[ . 1 . 2]" 1
795 1 58 ASP HB3 1 60 GLN H 5.000 . 5.500 4.883 4.070 5.571 0.071 1 0 "[ . 1 . 2]" 1
796 1 58 ASP HB3 1 60 GLN QE 5.000 . 5.500 5.135 4.466 5.525 0.025 15 0 "[ . 1 . 2]" 1
797 1 59 GLY H 1 59 GLY QA 2.340 . 2.570 2.387 2.282 2.470 . 0 0 "[ . 1 . 2]" 1
798 1 59 GLY H 1 60 GLN H 2.530 . 2.780 2.233 1.782 2.816 0.036 20 0 "[ . 1 . 2]" 1
799 1 59 GLY H 1 60 GLN QG 5.000 . 5.500 4.293 2.895 5.571 0.071 18 0 "[ . 1 . 2]" 1
800 1 59 GLY QA 1 60 GLN H 3.090 . 3.400 2.848 2.729 2.946 . 0 0 "[ . 1 . 2]" 1
801 1 60 GLN H 1 60 GLN QB 3.070 . 3.380 2.821 2.427 3.299 . 0 0 "[ . 1 . 2]" 1
802 1 60 GLN H 1 61 VAL H 5.000 . 5.500 4.480 4.361 4.618 . 0 0 "[ . 1 . 2]" 1
803 1 60 GLN QB 1 60 GLN QE 3.350 . 3.690 2.714 1.783 3.561 0.017 1 0 "[ . 1 . 2]" 1
804 1 60 GLN QB 1 61 VAL H 2.850 . 3.140 2.535 1.912 3.146 0.006 15 0 "[ . 1 . 2]" 1
805 1 60 GLN QE 1 60 GLN QG 2.670 . 2.940 2.463 2.186 2.784 . 0 0 "[ . 1 . 2]" 1
806 1 60 GLN QG 1 61 VAL H 2.680 . 2.950 2.991 2.295 3.116 0.166 8 0 "[ . 1 . 2]" 1
807 1 61 VAL H 1 61 VAL HA 2.850 . 3.140 2.990 2.982 2.994 . 0 0 "[ . 1 . 2]" 1
808 1 61 VAL H 1 61 VAL MG1 3.160 . 3.780 3.813 3.790 3.881 0.101 17 0 "[ . 1 . 2]" 1
809 1 61 VAL H 1 61 VAL MG2 2.490 . 3.040 2.870 2.652 3.067 0.027 2 0 "[ . 1 . 2]" 1
810 1 61 VAL H 1 62 ASN H 5.000 . 5.500 4.499 4.455 4.556 . 0 0 "[ . 1 . 2]" 1
811 1 61 VAL HA 1 66 PHE H 5.000 . 5.500 5.261 5.034 5.491 . 0 0 "[ . 1 . 2]" 1
812 1 61 VAL HB 1 61 VAL MG1 2.290 . 2.820 2.147 2.138 2.153 . 0 0 "[ . 1 . 2]" 1
813 1 61 VAL HB 1 61 VAL MG2 2.310 . 2.840 2.141 2.115 2.154 . 0 0 "[ . 1 . 2]" 1
814 1 61 VAL HB 1 62 ASN H 3.410 . 3.750 3.674 3.515 3.794 0.044 14 0 "[ . 1 . 2]" 1
815 1 61 VAL MG1 1 62 ASN H 2.860 . 3.450 1.830 1.761 1.935 0.039 20 0 "[ . 1 . 2]" 1
816 1 61 VAL MG1 1 63 TYR H 5.000 . 5.800 4.741 4.616 4.847 . 0 0 "[ . 1 . 2]" 1
817 1 61 VAL MG1 1 65 GLU H 3.600 . 4.260 4.036 3.851 4.271 0.011 15 0 "[ . 1 . 2]" 1
818 1 61 VAL MG1 1 65 GLU QB 2.520 . 3.070 2.146 1.886 2.420 . 0 0 "[ . 1 . 2]" 1
819 1 61 VAL MG1 1 66 PHE H 2.610 . 3.170 2.901 2.662 3.122 . 0 0 "[ . 1 . 2]" 1
820 1 61 VAL MG1 1 66 PHE QB 2.590 . 3.150 2.139 1.976 2.334 . 0 0 "[ . 1 . 2]" 1
821 1 61 VAL MG1 1 66 PHE QD 2.520 . 3.070 3.031 2.832 3.109 0.039 13 0 "[ . 1 . 2]" 1
822 1 61 VAL MG1 1 67 VAL H 5.000 . 5.800 4.767 4.548 5.022 . 0 0 "[ . 1 . 2]" 1
823 1 61 VAL MG2 1 62 ASN H 3.100 . 3.710 3.716 3.668 3.765 0.055 20 0 "[ . 1 . 2]" 1
824 1 62 ASN H 1 62 ASN QB 2.790 . 3.070 3.008 2.682 3.268 0.198 20 0 "[ . 1 . 2]" 1
825 1 62 ASN H 1 63 TYR H 4.670 . 5.140 4.334 4.304 4.386 . 0 0 "[ . 1 . 2]" 1
826 1 62 ASN H 1 65 GLU H 3.280 . 3.610 3.440 3.187 3.672 0.062 15 0 "[ . 1 . 2]" 1
827 1 62 ASN H 1 65 GLU QB 2.500 . 2.750 2.174 1.871 2.469 . 0 0 "[ . 1 . 2]" 1
828 1 62 ASN H 1 65 GLU QG 3.180 . 3.500 3.072 2.539 3.618 0.118 13 0 "[ . 1 . 2]" 1
829 1 62 ASN H 1 66 PHE H 3.850 . 4.240 3.171 2.951 3.387 . 0 0 "[ . 1 . 2]" 1
830 1 62 ASN HA 1 62 ASN QB 2.080 . 2.290 2.239 2.162 2.469 0.179 13 0 "[ . 1 . 2]" 1
831 1 62 ASN HA 1 62 ASN HD22 5.000 . 5.500 4.722 3.297 5.363 . 0 0 "[ . 1 . 2]" 1
832 1 62 ASN HA 1 63 TYR H 2.510 . 2.760 2.782 2.699 2.833 0.073 1 0 "[ . 1 . 2]" 1
833 1 62 ASN HA 1 63 TYR HA 5.000 . 5.500 4.349 4.321 4.370 . 0 0 "[ . 1 . 2]" 1
834 1 62 ASN HA 1 64 GLU H 5.000 . 5.500 4.848 4.603 5.132 . 0 0 "[ . 1 . 2]" 1
835 1 62 ASN HA 1 66 PHE H 5.000 . 5.500 4.857 4.701 4.998 . 0 0 "[ . 1 . 2]" 1
836 1 62 ASN QB 1 62 ASN QD 2.690 . 2.960 2.280 2.170 2.592 . 0 0 "[ . 1 . 2]" 1
837 1 62 ASN QB 1 63 TYR H 2.300 . 2.530 2.254 1.961 2.628 0.098 10 0 "[ . 1 . 2]" 1
838 1 62 ASN QB 1 64 GLU H 3.980 . 4.380 3.017 2.382 4.105 . 0 0 "[ . 1 . 2]" 1
839 1 62 ASN QB 1 65 GLU H 5.000 . 5.500 3.270 2.531 4.214 . 0 0 "[ . 1 . 2]" 1
840 1 62 ASN QD 1 64 GLU H 5.000 . 5.500 3.742 1.837 5.560 0.060 11 0 "[ . 1 . 2]" 1
841 1 62 ASN HD21 1 63 TYR H 5.000 . 5.500 3.880 2.257 4.952 . 0 0 "[ . 1 . 2]" 1
842 1 62 ASN HD22 1 63 TYR H 5.000 . 5.500 4.653 3.059 5.754 0.254 6 0 "[ . 1 . 2]" 1
843 1 63 TYR H 1 63 TYR HA 2.640 . 2.900 2.897 2.862 2.927 0.027 12 0 "[ . 1 . 2]" 1
844 1 63 TYR H 1 63 TYR HB2 2.420 . 2.660 2.682 2.559 2.756 0.096 11 0 "[ . 1 . 2]" 1
845 1 63 TYR H 1 63 TYR HB3 2.200 . 2.420 2.478 2.443 2.554 0.134 15 0 "[ . 1 . 2]" 1
846 1 63 TYR H 1 63 TYR QD 3.780 . 4.160 4.186 4.163 4.203 0.043 12 0 "[ . 1 . 2]" 1
847 1 63 TYR H 1 64 GLU H 2.620 . 2.880 2.603 2.436 2.851 . 0 0 "[ . 1 . 2]" 1
848 1 63 TYR H 1 65 GLU H 5.000 . 5.500 4.126 3.713 4.600 . 0 0 "[ . 1 . 2]" 1
849 1 63 TYR HA 1 63 TYR QD 2.290 . 2.520 2.295 2.135 2.503 . 0 0 "[ . 1 . 2]" 1
850 1 63 TYR HA 1 64 GLU H 3.330 . 3.660 3.564 3.535 3.591 . 0 0 "[ . 1 . 2]" 1
851 1 63 TYR HB2 1 63 TYR QD 2.260 . 2.490 2.580 2.518 2.626 0.136 19 0 "[ . 1 . 2]" 1
852 1 63 TYR QD 1 64 GLU H 3.350 . 3.690 3.640 3.334 3.760 0.070 13 0 "[ . 1 . 2]" 1
853 1 63 TYR QD 1 64 GLU HA 3.450 . 3.800 3.760 3.549 3.833 0.033 10 0 "[ . 1 . 2]" 1
854 1 63 TYR QD 1 66 PHE H 5.000 . 5.500 5.155 5.046 5.302 . 0 0 "[ . 1 . 2]" 1
855 1 63 TYR QD 1 66 PHE QD 3.250 . 3.580 3.301 3.082 3.502 . 0 0 "[ . 1 . 2]" 1
856 1 63 TYR QD 1 66 PHE QE 5.000 . 5.500 4.698 4.446 4.907 . 0 0 "[ . 1 . 2]" 1
857 1 63 TYR QD 1 67 VAL H 5.000 . 5.500 4.793 4.632 4.999 . 0 0 "[ . 1 . 2]" 1
858 1 63 TYR QD 1 67 VAL HB 5.000 . 5.500 5.155 4.829 5.507 0.007 1 0 "[ . 1 . 2]" 1
859 1 63 TYR QD 1 67 VAL MG2 3.210 . 3.830 3.030 2.754 3.391 . 0 0 "[ . 1 . 2]" 1
860 1 63 TYR QE 1 66 PHE QD 3.240 . 3.560 3.594 3.564 3.636 0.076 19 0 "[ . 1 . 2]" 1
861 1 63 TYR QE 1 67 VAL H 5.000 . 5.500 5.338 5.143 5.543 0.043 14 0 "[ . 1 . 2]" 1
862 1 63 TYR QE 1 67 VAL MG1 5.000 . 5.800 4.261 3.861 4.879 . 0 0 "[ . 1 . 2]" 1
863 1 63 TYR QE 1 67 VAL MG2 2.650 . 3.210 2.684 2.376 3.051 . 0 0 "[ . 1 . 2]" 1
864 1 64 GLU H 1 64 GLU HA 2.570 . 2.830 2.861 2.807 2.902 0.072 13 0 "[ . 1 . 2]" 1
865 1 64 GLU H 1 64 GLU QB 2.580 . 2.840 2.210 2.052 2.567 . 0 0 "[ . 1 . 2]" 1
866 1 64 GLU H 1 65 GLU H 2.710 . 2.980 2.703 2.507 3.026 0.046 3 0 "[ . 1 . 2]" 1
867 1 64 GLU H 1 65 GLU QB 5.000 . 5.500 4.952 4.779 5.193 . 0 0 "[ . 1 . 2]" 1
868 1 64 GLU H 1 65 GLU HG2 5.000 . 5.500 4.796 3.657 5.591 0.091 13 0 "[ . 1 . 2]" 1
869 1 64 GLU H 1 65 GLU HG3 5.000 . 5.500 4.525 3.699 5.521 0.021 2 0 "[ . 1 . 2]" 1
870 1 64 GLU H 1 66 PHE H 3.890 . 4.280 3.998 3.816 4.236 . 0 0 "[ . 1 . 2]" 1
871 1 64 GLU H 1 67 VAL MG2 5.000 . 5.800 4.241 3.908 4.487 . 0 0 "[ . 1 . 2]" 1
872 1 64 GLU HA 1 64 GLU QB 2.380 . 2.620 2.464 2.319 2.546 . 0 0 "[ . 1 . 2]" 1
873 1 64 GLU HA 1 64 GLU QG 2.460 . 2.710 2.195 1.938 2.664 . 0 0 "[ . 1 . 2]" 1
874 1 64 GLU HA 1 65 GLU H 3.530 . 3.880 3.543 3.390 3.605 . 0 0 "[ . 1 . 2]" 1
875 1 64 GLU HA 1 66 PHE H 5.000 . 5.500 4.461 4.216 4.629 . 0 0 "[ . 1 . 2]" 1
876 1 64 GLU HA 1 67 VAL H 3.220 . 3.540 3.567 3.408 3.646 0.106 13 0 "[ . 1 . 2]" 1
877 1 64 GLU HA 1 67 VAL HB 2.690 . 2.960 2.912 2.725 2.990 0.030 10 0 "[ . 1 . 2]" 1
878 1 64 GLU HA 1 67 VAL MG2 2.620 . 3.180 2.682 2.144 3.109 . 0 0 "[ . 1 . 2]" 1
879 1 64 GLU HA 1 68 GLN H 5.000 . 5.500 4.633 3.952 5.048 . 0 0 "[ . 1 . 2]" 1
880 1 64 GLU QB 1 65 GLU H 2.810 . 3.090 2.632 2.304 3.100 0.010 13 0 "[ . 1 . 2]" 1
881 1 64 GLU QG 1 65 GLU H 5.000 . 5.500 4.138 3.374 4.581 . 0 0 "[ . 1 . 2]" 1
882 1 65 GLU H 1 65 GLU HA 2.660 . 2.930 2.908 2.795 2.972 0.042 13 0 "[ . 1 . 2]" 1
883 1 65 GLU H 1 65 GLU QB 2.460 . 2.710 2.655 2.518 2.749 0.039 4 0 "[ . 1 . 2]" 1
884 1 65 GLU H 1 65 GLU QG 2.410 . 2.650 1.946 1.813 2.652 0.002 13 0 "[ . 1 . 2]" 1
885 1 65 GLU H 1 66 PHE H 2.790 . 3.070 2.464 2.037 2.870 . 0 0 "[ . 1 . 2]" 1
886 1 65 GLU H 1 66 PHE QB 5.000 . 5.500 4.218 3.826 4.639 . 0 0 "[ . 1 . 2]" 1
887 1 65 GLU H 1 67 VAL H 5.000 . 5.500 3.839 3.419 4.161 . 0 0 "[ . 1 . 2]" 1
888 1 65 GLU HA 1 68 GLN H 5.000 . 5.500 3.679 3.445 4.129 . 0 0 "[ . 1 . 2]" 1
889 1 65 GLU QB 1 66 PHE H 3.020 . 3.320 2.676 2.513 2.963 . 0 0 "[ . 1 . 2]" 1
890 1 65 GLU HG2 1 66 PHE H 5.000 . 5.500 4.416 3.504 5.019 . 0 0 "[ . 1 . 2]" 1
891 1 65 GLU HG3 1 66 PHE H 5.000 . 5.500 4.146 3.664 4.903 . 0 0 "[ . 1 . 2]" 1
892 1 66 PHE H 1 66 PHE QB 2.290 . 2.520 2.220 2.200 2.245 . 0 0 "[ . 1 . 2]" 1
893 1 66 PHE H 1 67 VAL H 2.770 . 3.050 2.515 2.343 2.620 . 0 0 "[ . 1 . 2]" 1
894 1 66 PHE H 1 67 VAL MG1 5.000 . 5.800 5.771 5.640 5.854 0.054 15 0 "[ . 1 . 2]" 1
895 1 66 PHE H 1 67 VAL MG2 5.000 . 5.800 4.193 3.964 4.442 . 0 0 "[ . 1 . 2]" 1
896 1 66 PHE H 1 68 GLN H 4.220 . 4.640 4.517 4.298 4.691 0.051 7 0 "[ . 1 . 2]" 1
897 1 66 PHE H 1 69 MET H 5.000 . 5.500 5.036 4.847 5.293 . 0 0 "[ . 1 . 2]" 1
898 1 66 PHE HA 1 70 MET H 5.000 . 5.500 4.164 3.841 4.432 . 0 0 "[ . 1 . 2]" 1
899 1 66 PHE QB 1 66 PHE QD 2.200 . 2.420 2.149 2.143 2.155 . 0 0 "[ . 1 . 2]" 1
900 1 66 PHE QB 1 67 VAL H 2.590 . 2.850 2.897 2.855 2.930 0.080 18 0 "[ . 1 . 2]" 1
901 1 66 PHE QD 1 67 VAL H 3.220 . 3.540 3.454 3.139 3.594 0.054 12 0 "[ . 1 . 2]" 1
902 1 66 PHE QD 1 67 VAL MG1 5.000 . 5.800 4.801 4.329 5.116 . 0 0 "[ . 1 . 2]" 1
903 1 66 PHE QD 1 67 VAL MG2 3.070 . 3.680 2.779 2.026 3.173 . 0 0 "[ . 1 . 2]" 1
904 1 66 PHE QD 1 70 MET QB 3.010 . 3.310 3.333 3.261 3.429 0.119 7 0 "[ . 1 . 2]" 1
905 1 66 PHE QD 1 70 MET QG 5.000 . 5.500 4.110 3.410 4.898 . 0 0 "[ . 1 . 2]" 1
906 1 66 PHE QE 1 67 VAL MG2 5.000 . 5.800 4.278 3.525 4.681 . 0 0 "[ . 1 . 2]" 1
907 1 66 PHE QE 1 70 MET QB 2.810 . 3.090 2.851 2.493 3.075 . 0 0 "[ . 1 . 2]" 1
908 1 66 PHE HZ 1 70 MET QB 3.140 . 3.450 3.423 3.042 3.510 0.060 7 0 "[ . 1 . 2]" 1
909 1 66 PHE HZ 1 70 MET QG 5.000 . 5.500 2.492 1.855 4.373 . 0 0 "[ . 1 . 2]" 1
910 1 67 VAL H 1 67 VAL HA 2.650 . 2.920 2.875 2.820 2.917 . 0 0 "[ . 1 . 2]" 1
911 1 67 VAL H 1 67 VAL HB 2.310 . 2.540 2.360 2.234 2.523 . 0 0 "[ . 1 . 2]" 1
912 1 67 VAL H 1 67 VAL MG2 2.360 . 2.900 2.498 2.229 2.699 . 0 0 "[ . 1 . 2]" 1
913 1 67 VAL H 1 68 GLN H 2.780 . 3.060 2.740 2.600 2.894 . 0 0 "[ . 1 . 2]" 1
914 1 67 VAL H 1 68 GLN HA 5.000 . 5.500 5.365 5.260 5.492 . 0 0 "[ . 1 . 2]" 1
915 1 67 VAL H 1 68 GLN QG 5.000 . 5.500 4.598 3.933 5.292 . 0 0 "[ . 1 . 2]" 1
916 1 67 VAL H 1 69 MET H 5.000 . 5.500 3.940 3.705 4.229 . 0 0 "[ . 1 . 2]" 1
917 1 67 VAL HA 1 67 VAL MG1 2.320 . 2.850 2.451 2.266 2.667 . 0 0 "[ . 1 . 2]" 1
918 1 67 VAL HA 1 67 VAL MG2 2.270 . 2.800 2.234 2.026 2.355 . 0 0 "[ . 1 . 2]" 1
919 1 67 VAL HA 1 68 GLN H 3.370 . 3.710 3.578 3.550 3.592 . 0 0 "[ . 1 . 2]" 1
920 1 67 VAL HA 1 69 MET H 3.960 . 4.360 4.119 3.907 4.352 . 0 0 "[ . 1 . 2]" 1
921 1 67 VAL HA 1 70 MET H 3.110 . 3.420 3.327 3.147 3.434 0.014 13 0 "[ . 1 . 2]" 1
922 1 67 VAL HB 1 67 VAL MG1 2.080 . 2.590 2.136 2.117 2.151 . 0 0 "[ . 1 . 2]" 1
923 1 67 VAL HB 1 67 VAL MG2 2.200 . 2.720 2.121 2.110 2.141 . 0 0 "[ . 1 . 2]" 1
924 1 67 VAL HB 1 68 GLN H 2.370 . 2.610 2.502 2.174 2.624 0.014 4 0 "[ . 1 . 2]" 1
925 1 67 VAL HB 1 70 MET H 5.000 . 5.500 5.416 5.276 5.515 0.015 10 0 "[ . 1 . 2]" 1
926 1 67 VAL MG1 1 68 GLN H 2.900 . 3.490 3.031 2.697 3.505 0.015 19 0 "[ . 1 . 2]" 1
927 1 67 VAL MG1 1 68 GLN HA 3.170 . 3.790 3.207 2.902 3.557 . 0 0 "[ . 1 . 2]" 1
928 1 67 VAL MG1 1 68 GLN QE 5.000 . 5.800 5.051 2.596 5.809 0.009 14 0 "[ . 1 . 2]" 1
929 1 67 VAL MG1 1 69 MET H 5.000 . 5.800 4.613 4.408 4.909 . 0 0 "[ . 1 . 2]" 1
930 1 67 VAL MG1 1 70 MET H 5.000 . 5.800 4.454 4.253 4.649 . 0 0 "[ . 1 . 2]" 1
931 1 67 VAL MG1 1 71 THR H 5.000 . 5.800 3.934 3.142 4.381 . 0 0 "[ . 1 . 2]" 1
932 1 67 VAL MG2 1 68 GLN H 3.750 . 4.430 3.927 3.756 4.025 . 0 0 "[ . 1 . 2]" 1
933 1 67 VAL MG2 1 70 MET H 5.000 . 5.800 5.001 4.864 5.090 . 0 0 "[ . 1 . 2]" 1
934 1 68 GLN H 1 68 GLN HA 2.950 . 3.250 2.844 2.735 2.897 . 0 0 "[ . 1 . 2]" 1
935 1 68 GLN H 1 68 GLN QG 2.760 . 3.040 2.387 1.904 2.888 . 0 0 "[ . 1 . 2]" 1
936 1 68 GLN H 1 69 MET H 5.000 . 5.500 2.708 2.531 3.017 . 0 0 "[ . 1 . 2]" 1
937 1 68 GLN HA 1 68 GLN QB 2.130 . 2.340 2.405 2.294 2.502 0.162 14 0 "[ . 1 . 2]" 1
938 1 68 GLN HA 1 68 GLN QG 2.610 . 2.870 2.350 2.023 2.813 . 0 0 "[ . 1 . 2]" 1
939 1 68 GLN HA 1 69 MET H 3.510 . 3.860 3.509 3.463 3.550 . 0 0 "[ . 1 . 2]" 1
940 1 68 GLN HA 1 70 MET H 5.000 . 5.500 4.356 3.963 5.039 . 0 0 "[ . 1 . 2]" 1
941 1 68 GLN HA 1 71 THR H 5.000 . 5.500 3.916 3.522 4.748 . 0 0 "[ . 1 . 2]" 1
942 1 68 GLN HA 1 71 THR HB 5.000 . 5.500 4.628 2.895 5.528 0.028 15 0 "[ . 1 . 2]" 1
943 1 68 GLN HA 1 71 THR MG 5.000 . 5.800 3.946 1.837 5.644 . 0 0 "[ . 1 . 2]" 1
944 1 68 GLN HA 1 72 ALA H 5.000 . 5.500 3.627 2.361 5.353 . 0 0 "[ . 1 . 2]" 1
945 1 69 MET H 1 70 MET QB 5.000 . 5.500 4.161 4.049 4.281 . 0 0 "[ . 1 . 2]" 1
946 1 69 MET HA 1 69 MET QB 2.400 . 2.640 2.448 2.328 2.538 . 0 0 "[ . 1 . 2]" 1
947 1 69 MET HA 1 69 MET QG 2.310 . 2.540 2.280 1.982 2.642 0.102 7 0 "[ . 1 . 2]" 1
948 1 69 MET HA 1 70 MET H 5.000 . 5.500 3.497 3.401 3.576 . 0 0 "[ . 1 . 2]" 1
949 1 69 MET HA 1 71 THR H 5.000 . 5.500 4.426 3.636 5.541 0.041 12 0 "[ . 1 . 2]" 1
950 1 69 MET HA 1 72 ALA H 5.000 . 5.500 4.287 3.320 5.305 . 0 0 "[ . 1 . 2]" 1
951 1 70 MET H 1 70 MET HA 2.520 . 2.770 2.915 2.865 2.949 0.179 12 0 "[ . 1 . 2]" 1
952 1 70 MET H 1 70 MET QB 2.070 . 2.280 2.252 2.150 2.358 0.078 12 0 "[ . 1 . 2]" 1
953 1 70 MET H 1 71 THR H 2.670 . 2.940 2.512 2.282 2.772 . 0 0 "[ . 1 . 2]" 1
954 1 70 MET H 1 71 THR MG 5.000 . 5.800 4.635 3.602 5.765 . 0 0 "[ . 1 . 2]" 1
955 1 70 MET HA 1 70 MET QG 2.070 . 2.280 2.196 1.933 2.372 0.092 6 0 "[ . 1 . 2]" 1
956 1 70 MET QB 1 71 THR H 2.990 . 3.290 2.799 1.933 3.393 0.103 7 0 "[ . 1 . 2]" 1
957 1 70 MET QG 1 71 THR H 5.000 . 5.500 4.354 3.350 4.861 . 0 0 "[ . 1 . 2]" 1
958 1 71 THR H 1 71 THR MG 2.820 . 3.400 2.949 1.914 3.655 0.255 2 0 "[ . 1 . 2]" 1
959 1 71 THR H 1 72 ALA H 3.230 . 3.550 2.548 2.000 3.589 0.039 10 0 "[ . 1 . 2]" 1
960 1 71 THR H 1 72 ALA MB 5.000 . 5.800 4.215 3.754 4.795 . 0 0 "[ . 1 . 2]" 1
961 1 71 THR HB 1 71 THR MG 2.140 . 2.650 2.135 2.105 2.148 . 0 0 "[ . 1 . 2]" 1
962 1 71 THR HB 1 72 ALA H 3.420 . 3.760 3.277 2.228 3.922 0.162 10 0 "[ . 1 . 2]" 1
963 1 71 THR MG 1 72 ALA H 3.510 . 4.160 3.274 1.793 4.172 0.012 16 0 "[ . 1 . 2]" 1
964 1 72 ALA H 1 72 ALA MB 2.410 . 2.950 2.197 2.053 2.315 . 0 0 "[ . 1 . 2]" 1
965 1 72 ALA HA 1 73 LYS H 2.470 . 2.720 2.408 2.199 2.739 0.019 4 0 "[ . 1 . 2]" 1
966 1 73 LYS H 1 73 LYS QB 3.500 . 3.850 2.643 2.070 3.445 . 0 0 "[ . 1 . 2]" 1
967 1 73 LYS H 1 73 LYS QD 2.660 . 2.930 2.581 1.864 2.932 0.002 2 0 "[ . 1 . 2]" 1
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