NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388104 |
1msf   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1msf
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 1641
_Distance_constraint_stats_list.Viol_count 3776
_Distance_constraint_stats_list.Viol_total 4923.708
_Distance_constraint_stats_list.Viol_max 0.956
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0522
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DC 6.831 0.190 6 0 "[ . 1 . 2 .]"
1 2 DC 7.021 0.280 16 0 "[ . 1 . 2 .]"
1 3 DT 5.620 0.280 16 0 "[ . 1 . 2 .]"
1 4 DA 7.016 0.280 7 0 "[ . 1 . 2 .]"
1 5 DA 6.338 0.280 7 0 "[ . 1 . 2 .]"
1 6 DC 5.615 0.160 23 0 "[ . 1 . 2 .]"
1 7 DT 2.228 0.117 12 0 "[ . 1 . 2 .]"
1 8 DG 0.752 0.115 21 0 "[ . 1 . 2 .]"
1 9 DA 1.373 0.125 21 0 "[ . 1 . 2 .]"
1 10 DC 12.630 0.209 15 0 "[ . 1 . 2 .]"
1 11 DA 6.905 0.171 12 0 "[ . 1 . 2 .]"
2 6 DT 5.038 0.253 5 0 "[ . 1 . 2 .]"
2 7 DG 11.555 0.253 5 0 "[ . 1 . 2 .]"
2 8 DT 2.058 0.133 3 0 "[ . 1 . 2 .]"
2 9 DC 1.308 0.090 9 0 "[ . 1 . 2 .]"
2 10 DA 2.324 0.147 23 0 "[ . 1 . 2 .]"
2 11 DG 5.279 0.160 23 0 "[ . 1 . 2 .]"
2 12 DT 4.164 0.184 23 0 "[ . 1 . 2 .]"
2 13 DT 5.347 0.184 23 0 "[ . 1 . 2 .]"
2 14 DA 4.935 0.210 23 0 "[ . 1 . 2 .]"
2 15 DG 7.167 0.155 7 0 "[ . 1 . 2 .]"
2 16 DG 7.102 0.190 6 0 "[ . 1 . 2 .]"
3 2 LEU 0.178 0.111 6 0 "[ . 1 . 2 .]"
3 3 ILE 1.547 0.240 20 0 "[ . 1 . 2 .]"
3 4 LYS 1.370 0.240 20 0 "[ . 1 . 2 .]"
3 5 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 6 PRO 0.258 0.108 4 0 "[ . 1 . 2 .]"
3 7 TRP 6.380 0.300 2 0 "[ . 1 . 2 .]"
3 8 THR 0.060 0.023 1 0 "[ . 1 . 2 .]"
3 9 LYS 3.729 0.382 14 0 "[ . 1 . 2 .]"
3 10 GLU 6.411 0.382 14 0 "[ . 1 . 2 .]"
3 11 GLU 3.534 0.193 25 0 "[ . 1 . 2 .]"
3 12 ASP 3.219 0.247 23 0 "[ . 1 . 2 .]"
3 13 GLN 7.456 0.344 2 0 "[ . 1 . 2 .]"
3 14 ARG 1.546 0.099 22 0 "[ . 1 . 2 .]"
3 15 VAL 0.062 0.025 22 0 "[ . 1 . 2 .]"
3 16 ILE 2.632 0.225 1 0 "[ . 1 . 2 .]"
3 17 LYS 0.922 0.099 22 0 "[ . 1 . 2 .]"
3 18 LEU 0.320 0.083 16 0 "[ . 1 . 2 .]"
3 19 VAL 0.781 0.112 4 0 "[ . 1 . 2 .]"
3 20 GLN 0.827 0.096 5 0 "[ . 1 . 2 .]"
3 21 LYS 0.980 0.075 25 0 "[ . 1 . 2 .]"
3 22 TYR 0.996 0.096 5 0 "[ . 1 . 2 .]"
3 23 GLY 0.732 0.075 25 0 "[ . 1 . 2 .]"
3 24 PRO 0.825 0.416 25 0 "[ . 1 . 2 .]"
3 25 LYS 2.346 0.416 25 0 "[ . 1 . 2 .]"
3 26 ARG 8.317 0.329 20 0 "[ . 1 . 2 .]"
3 27 TRP 12.119 0.846 14 5 "[*- *.* 1 +. 2 .]"
3 28 SER 5.607 0.329 20 0 "[ . 1 . 2 .]"
3 29 VAL 0.162 0.061 13 0 "[ . 1 . 2 .]"
3 30 ILE 6.289 0.846 14 5 "[*- *.* 1 +. 2 .]"
3 31 ALA 1.012 0.152 18 0 "[ . 1 . 2 .]"
3 32 LYS 0.505 0.058 25 0 "[ . 1 . 2 .]"
3 33 HIS 2.998 0.169 16 0 "[ . 1 . 2 .]"
3 34 LEU 5.905 0.392 21 0 "[ . 1 . 2 .]"
3 35 LYS 7.640 0.392 21 0 "[ . 1 . 2 .]"
3 36 GLY 3.667 0.228 2 0 "[ . 1 . 2 .]"
3 37 ARG 3.474 0.228 2 0 "[ . 1 . 2 .]"
3 38 ILE 0.123 0.093 18 0 "[ . 1 . 2 .]"
3 39 GLY 0.639 0.133 1 0 "[ . 1 . 2 .]"
3 40 LYS 0.536 0.133 1 0 "[ . 1 . 2 .]"
3 41 GLN 0.247 0.077 20 0 "[ . 1 . 2 .]"
3 42 CYS 1.385 0.130 15 0 "[ . 1 . 2 .]"
3 43 ARG 1.135 0.068 15 0 "[ . 1 . 2 .]"
3 44 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 45 ARG 2.145 0.192 4 0 "[ . 1 . 2 .]"
3 46 TRP 2.496 0.373 22 0 "[ . 1 . 2 .]"
3 47 HIS 2.457 0.373 22 0 "[ . 1 . 2 .]"
3 48 ASN 0.151 0.092 11 0 "[ . 1 . 2 .]"
3 49 HIS 0.343 0.092 11 0 "[ . 1 . 2 .]"
3 50 LEU 2.606 0.560 22 1 "[ . 1 . 2 + .]"
3 51 ASN 5.621 0.560 22 1 "[ . 1 . 2 + .]"
3 52 PRO 2.418 0.260 24 0 "[ . 1 . 2 .]"
3 53 GLU 2.048 0.471 5 0 "[ . 1 . 2 .]"
3 54 VAL 6.469 0.363 24 0 "[ . 1 . 2 .]"
3 55 LYS 3.835 0.363 24 0 "[ . 1 . 2 .]"
3 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 57 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 58 SER 0.815 0.133 20 0 "[ . 1 . 2 .]"
3 59 TRP 11.198 0.264 24 0 "[ . 1 . 2 .]"
3 60 THR 0.300 0.094 5 0 "[ . 1 . 2 .]"
3 61 GLU 1.648 0.291 15 0 "[ . 1 . 2 .]"
3 62 GLU 3.560 0.291 15 0 "[ . 1 . 2 .]"
3 63 GLU 2.296 0.183 20 0 "[ . 1 . 2 .]"
3 64 ASP 1.050 0.157 5 0 "[ . 1 . 2 .]"
3 65 ARG 3.206 0.211 5 0 "[ . 1 . 2 .]"
3 66 ILE 5.909 0.264 24 0 "[ . 1 . 2 .]"
3 67 ILE 1.741 0.124 15 0 "[ . 1 . 2 .]"
3 68 TYR 0.961 0.086 24 0 "[ . 1 . 2 .]"
3 69 GLN 2.887 0.103 12 0 "[ . 1 . 2 .]"
3 70 ALA 0.165 0.053 1 0 "[ . 1 . 2 .]"
3 71 HIS 2.624 0.120 15 0 "[ . 1 . 2 .]"
3 72 LYS 0.477 0.049 7 0 "[ . 1 . 2 .]"
3 73 ARG 2.626 0.117 1 0 "[ . 1 . 2 .]"
3 74 LEU 7.083 0.333 10 0 "[ . 1 . 2 .]"
3 75 GLY 4.827 0.285 20 0 "[ . 1 . 2 .]"
3 76 ASN 7.834 0.286 18 0 "[ . 1 . 2 .]"
3 77 ARG 10.832 0.333 10 0 "[ . 1 . 2 .]"
3 78 TRP 6.780 0.246 20 0 "[ . 1 . 2 .]"
3 79 ALA 3.658 0.157 10 0 "[ . 1 . 2 .]"
3 80 GLU 1.455 0.087 19 0 "[ . 1 . 2 .]"
3 81 ILE 2.849 0.126 11 0 "[ . 1 . 2 .]"
3 82 ALA 1.435 0.087 4 0 "[ . 1 . 2 .]"
3 83 LYS 0.011 0.011 10 0 "[ . 1 . 2 .]"
3 84 LEU 0.024 0.019 7 0 "[ . 1 . 2 .]"
3 85 LEU 0.642 0.087 4 0 "[ . 1 . 2 .]"
3 86 PRO 0.156 0.040 9 0 "[ . 1 . 2 .]"
3 87 GLY 0.033 0.012 18 0 "[ . 1 . 2 .]"
3 88 ARG 1.134 0.099 11 0 "[ . 1 . 2 .]"
3 89 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 90 ASP 1.047 0.116 17 0 "[ . 1 . 2 .]"
3 91 ASN 1.583 0.267 12 0 "[ . 1 . 2 .]"
3 92 ALA 2.063 0.327 18 0 "[ . 1 . 2 .]"
3 93 ILE 1.221 0.327 18 0 "[ . 1 . 2 .]"
3 94 LYS 2.924 0.144 15 0 "[ . 1 . 2 .]"
3 95 ASN 2.760 0.956 3 2 "[ + .- 1 . 2 .]"
3 96 HIS 6.504 0.157 10 0 "[ . 1 . 2 .]"
3 97 TRP 8.988 0.770 19 3 "[ - .* 1 . +2 .]"
3 98 ASN 8.115 0.956 3 3 "[ + .* 1 . *2 .]"
3 99 SER 0.246 0.090 4 0 "[ . 1 . 2 .]"
3 100 THR 1.265 0.157 10 0 "[ . 1 . 2 .]"
3 101 MET 1.547 0.099 24 0 "[ . 1 . 2 .]"
3 102 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 103 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
3 104 LYS 2.932 0.372 9 0 "[ . 1 . 2 .]"
3 105 VAL 2.932 0.372 9 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 1 DC C2 2 16 DG C2 . 4.200 4.400 4.224 4.197 4.283 0.003 25 0 "[ . 1 . 2 .]" 1
2 1 1 DC C2 2 16 DG C6 . 4.710 4.910 4.729 4.652 4.924 0.058 18 0 "[ . 1 . 2 .]" 1
3 1 1 DC C2 2 16 DG N1 . 3.660 3.860 3.692 3.637 3.832 0.023 6 0 "[ . 1 . 2 .]" 1
4 1 1 DC C4 2 16 DG C2 . 4.800 5.000 4.933 4.786 5.015 0.015 25 0 "[ . 1 . 2 .]" 1
5 1 1 DC C4 2 16 DG C6 . 4.040 4.240 4.198 4.157 4.239 . 0 0 "[ . 1 . 2 .]" 1
6 1 1 DC C4 2 16 DG N1 . 3.670 3.870 3.818 3.726 3.876 0.006 25 0 "[ . 1 . 2 .]" 1
7 1 1 DC C5 2 16 DG C4 . 7.620 7.820 7.754 7.662 7.802 . 0 0 "[ . 1 . 2 .]" 1
8 1 1 DC C5 2 16 DG C5 . 6.880 7.080 7.044 6.990 7.093 0.013 22 0 "[ . 1 . 2 .]" 1
9 1 1 DC C5 2 16 DG N3 . 7.370 7.570 7.482 7.365 7.544 0.005 23 0 "[ . 1 . 2 .]" 1
10 1 1 DC C6 2 16 DG C4 . 8.170 8.370 8.254 8.198 8.320 . 0 0 "[ . 1 . 2 .]" 1
11 1 1 DC C6 2 16 DG C5 . 7.620 7.820 7.731 7.666 7.826 0.006 10 0 "[ . 1 . 2 .]" 1
12 1 1 DC C6 2 16 DG N3 . 7.710 7.910 7.771 7.700 7.824 0.010 24 0 "[ . 1 . 2 .]" 1
13 1 1 DC H1' 1 1 DC Q5' . 3.000 6.000 4.221 4.175 4.279 . 0 0 "[ . 1 . 2 .]" 1
14 1 1 DC H1' 1 1 DC H6 . 2.300 4.000 3.729 3.708 3.740 . 0 0 "[ . 1 . 2 .]" 1
15 1 1 DC H1' 1 2 DC H5 . 2.500 5.000 4.647 4.332 4.859 . 0 0 "[ . 1 . 2 .]" 1
16 1 1 DC H1' 1 2 DC H6 . 2.300 4.000 3.804 3.600 4.097 0.097 4 0 "[ . 1 . 2 .]" 1
17 1 1 DC H3' 1 1 DC H6 . 2.500 5.000 3.958 3.508 4.151 . 0 0 "[ . 1 . 2 .]" 1
18 1 1 DC H3' 1 2 DC H5 . 3.000 6.000 5.398 4.644 5.906 . 0 0 "[ . 1 . 2 .]" 1
19 1 1 DC H3' 1 2 DC H6 . 3.000 6.000 4.794 4.247 5.072 . 0 0 "[ . 1 . 2 .]" 1
20 1 1 DC H3' 3 100 THR MG . . 7.000 2.952 1.980 4.802 . 0 0 "[ . 1 . 2 .]" 1
21 1 1 DC H4' 1 1 DC H6 . 2.500 5.000 4.619 4.502 4.677 . 0 0 "[ . 1 . 2 .]" 1
22 1 1 DC H41 2 16 DG O6 . . 1.800 1.912 1.866 1.990 0.190 6 0 "[ . 1 . 2 .]" 1
23 1 1 DC H5 1 1 DC Q5' . 3.000 7.000 6.006 5.766 6.234 . 0 0 "[ . 1 . 2 .]" 1
24 1 1 DC Q5' 1 1 DC H6 . 3.000 6.000 4.018 3.726 4.203 . 0 0 "[ . 1 . 2 .]" 1
25 1 1 DC H6 1 2 DC H5 . 2.500 5.000 3.829 3.430 4.282 . 0 0 "[ . 1 . 2 .]" 1
26 1 1 DC H6 1 2 DC H6 . 3.000 6.000 4.890 4.450 5.364 . 0 0 "[ . 1 . 2 .]" 1
27 1 1 DC N1 2 16 DG C4 . 7.570 7.770 7.608 7.558 7.717 0.012 25 0 "[ . 1 . 2 .]" 1
28 1 1 DC N1 2 16 DG C5 . 7.240 7.440 7.290 7.218 7.439 0.022 7 0 "[ . 1 . 2 .]" 1
29 1 1 DC N1 2 16 DG N3 . 6.920 7.120 6.946 6.906 7.013 0.014 25 0 "[ . 1 . 2 .]" 1
30 1 1 DC N3 2 16 DG C2 . 3.730 3.930 3.821 3.727 3.876 0.003 12 0 "[ . 1 . 2 .]" 1
31 1 1 DC N3 2 16 DG C6 . 3.600 3.800 3.670 3.623 3.800 . 0 0 "[ . 1 . 2 .]" 1
32 1 1 DC N3 2 16 DG H1 . . 2.010 1.903 1.872 1.945 . 0 0 "[ . 1 . 2 .]" 1
33 1 1 DC N3 2 16 DG N1 . 2.810 3.010 2.905 2.878 2.954 . 0 0 "[ . 1 . 2 .]" 1
34 1 1 DC N4 2 16 DG O6 . 2.600 2.800 2.891 2.862 2.946 0.146 6 0 "[ . 1 . 2 .]" 1
35 1 1 DC O2 2 16 DG H21 . . 2.100 1.892 1.870 1.934 0.030 13 0 "[ . 1 . 2 .]" 1
36 1 1 DC O2 2 16 DG N2 . 2.900 3.100 2.889 2.844 2.938 0.056 25 0 "[ . 1 . 2 .]" 1
37 1 2 DC C2 2 15 DG C2 . 4.200 4.400 4.234 4.205 4.273 . 0 0 "[ . 1 . 2 .]" 1
38 1 2 DC C2 2 15 DG C6 . 4.710 4.910 4.717 4.654 4.854 0.056 5 0 "[ . 1 . 2 .]" 1
39 1 2 DC C2 2 15 DG N1 . 3.660 3.860 3.686 3.637 3.786 0.023 16 0 "[ . 1 . 2 .]" 1
40 1 2 DC C4 2 15 DG C2 . 4.800 5.000 4.972 4.838 5.044 0.044 5 0 "[ . 1 . 2 .]" 1
41 1 2 DC C4 2 15 DG C6 . 4.040 4.240 4.198 4.164 4.233 . 0 0 "[ . 1 . 2 .]" 1
42 1 2 DC C4 2 15 DG N1 . 3.670 3.870 3.841 3.759 3.892 0.022 5 0 "[ . 1 . 2 .]" 1
43 1 2 DC C5 2 15 DG C4 . 7.620 7.820 7.770 7.645 7.816 . 0 0 "[ . 1 . 2 .]" 1
44 1 2 DC C5 2 15 DG C5 . 6.880 7.080 7.045 6.985 7.089 0.009 14 0 "[ . 1 . 2 .]" 1
45 1 2 DC C5 2 15 DG N3 . 7.370 7.570 7.513 7.362 7.567 0.008 23 0 "[ . 1 . 2 .]" 1
46 1 2 DC C6 2 15 DG C4 . 8.170 8.370 8.262 8.196 8.305 . 0 0 "[ . 1 . 2 .]" 1
47 1 2 DC C6 2 15 DG C5 . 7.620 7.820 7.726 7.666 7.803 . 0 0 "[ . 1 . 2 .]" 1
48 1 2 DC C6 2 15 DG N3 . 7.710 7.910 7.791 7.699 7.828 0.011 23 0 "[ . 1 . 2 .]" 1
49 1 2 DC H1' 1 2 DC H5 . 3.000 6.000 5.452 5.402 5.462 . 0 0 "[ . 1 . 2 .]" 1
50 1 2 DC H1' 1 2 DC H6 . 2.300 4.000 3.727 3.711 3.741 . 0 0 "[ . 1 . 2 .]" 1
51 1 2 DC H1' 1 3 DT H1' . 3.000 6.000 4.685 4.129 5.101 . 0 0 "[ . 1 . 2 .]" 1
52 1 2 DC H1' 1 3 DT H6 . 2.300 4.000 3.890 3.654 4.069 0.069 4 0 "[ . 1 . 2 .]" 1
53 1 2 DC H1' 1 3 DT M7 . 3.000 7.000 4.183 3.839 4.400 . 0 0 "[ . 1 . 2 .]" 1
54 1 2 DC H3' 1 2 DC H6 . 2.500 5.000 3.873 3.279 4.090 . 0 0 "[ . 1 . 2 .]" 1
55 1 2 DC H3' 1 3 DT H6 . 3.000 6.000 4.892 4.601 5.175 . 0 0 "[ . 1 . 2 .]" 1
56 1 2 DC H3' 1 3 DT M7 . 3.000 7.000 4.200 3.667 4.540 . 0 0 "[ . 1 . 2 .]" 1
57 1 2 DC H3' 3 58 SER QB . . 6.500 3.530 2.163 5.794 . 0 0 "[ . 1 . 2 .]" 1
58 1 2 DC H3' 3 59 TRP HD1 . . 5.500 3.819 2.489 5.532 0.032 12 0 "[ . 1 . 2 .]" 1
59 1 2 DC H4' 1 2 DC H6 . 2.500 5.000 4.619 4.529 4.685 . 0 0 "[ . 1 . 2 .]" 1
60 1 2 DC H41 2 15 DG O6 . . 1.800 1.889 1.860 1.931 0.131 15 0 "[ . 1 . 2 .]" 1
61 1 2 DC H5 1 3 DT M7 . 3.000 5.500 3.306 2.720 4.157 0.280 16 0 "[ . 1 . 2 .]" 1
62 1 2 DC H5 3 99 SER QB . . 6.500 3.013 2.351 3.993 . 0 0 "[ . 1 . 2 .]" 1
63 1 2 DC H6 1 3 DT H6 . 3.000 6.000 4.825 4.239 5.372 . 0 0 "[ . 1 . 2 .]" 1
64 1 2 DC H6 1 3 DT M7 . 2.500 5.000 2.935 2.555 3.472 . 0 0 "[ . 1 . 2 .]" 1
65 1 2 DC H6 3 99 SER QB . . 6.500 4.474 3.303 5.571 . 0 0 "[ . 1 . 2 .]" 1
66 1 2 DC N1 2 15 DG C4 . 7.570 7.770 7.611 7.558 7.686 0.012 22 0 "[ . 1 . 2 .]" 1
67 1 2 DC N1 2 15 DG C5 . 7.240 7.440 7.284 7.225 7.389 0.015 2 0 "[ . 1 . 2 .]" 1
68 1 2 DC N1 2 15 DG N3 . 6.920 7.120 6.957 6.914 7.001 0.006 22 0 "[ . 1 . 2 .]" 1
69 1 2 DC N3 2 15 DG C2 . 3.730 3.930 3.849 3.770 3.892 . 0 0 "[ . 1 . 2 .]" 1
70 1 2 DC N3 2 15 DG C6 . 3.600 3.800 3.662 3.618 3.753 . 0 0 "[ . 1 . 2 .]" 1
71 1 2 DC N3 2 15 DG H1 . . 2.010 1.912 1.883 1.937 . 0 0 "[ . 1 . 2 .]" 1
72 1 2 DC N3 2 15 DG N1 . 2.810 3.010 2.915 2.884 2.937 . 0 0 "[ . 1 . 2 .]" 1
73 1 2 DC N4 2 15 DG O6 . 2.600 2.800 2.873 2.839 2.923 0.123 15 0 "[ . 1 . 2 .]" 1
74 1 2 DC O2 2 15 DG H21 . . 2.100 1.885 1.853 1.944 0.047 24 0 "[ . 1 . 2 .]" 1
75 1 2 DC O2 2 15 DG N2 . 2.900 3.100 2.890 2.854 2.954 0.046 22 0 "[ . 1 . 2 .]" 1
76 1 3 DT C2 2 14 DA C2 . 4.210 4.410 4.188 4.128 4.287 0.082 24 0 "[ . 1 . 2 .]" 1
77 1 3 DT C2 2 14 DA C6 . 4.740 4.940 4.783 4.674 4.957 0.066 23 0 "[ . 1 . 2 .]" 1
78 1 3 DT C2 2 14 DA N1 . 3.680 3.880 3.692 3.606 3.844 0.074 23 0 "[ . 1 . 2 .]" 1
79 1 3 DT C4 2 14 DA C2 . 4.800 5.000 4.881 4.781 4.990 0.019 1 0 "[ . 1 . 2 .]" 1
80 1 3 DT C4 2 14 DA C6 . 4.090 4.290 4.236 4.192 4.293 0.003 23 0 "[ . 1 . 2 .]" 1
81 1 3 DT C4 2 14 DA N1 . 3.680 3.880 3.779 3.703 3.863 . 0 0 "[ . 1 . 2 .]" 1
82 1 3 DT C5 2 14 DA C4 . 7.650 7.850 7.736 7.681 7.799 . 0 0 "[ . 1 . 2 .]" 1
83 1 3 DT C5 2 14 DA C5 . 6.950 7.150 7.069 7.023 7.127 . 0 0 "[ . 1 . 2 .]" 1
84 1 3 DT C5 2 14 DA N3 . 7.360 7.560 7.404 7.334 7.493 0.026 14 0 "[ . 1 . 2 .]" 1
85 1 3 DT C6 2 14 DA C4 . 8.190 8.390 8.255 8.229 8.292 . 0 0 "[ . 1 . 2 .]" 1
86 1 3 DT C6 2 14 DA C5 . 7.680 7.880 7.779 7.742 7.814 . 0 0 "[ . 1 . 2 .]" 1
87 1 3 DT C6 2 14 DA N3 . 7.690 7.890 7.713 7.676 7.786 0.014 14 0 "[ . 1 . 2 .]" 1
88 1 3 DT H1' 1 3 DT H6 . 2.500 5.000 3.741 3.710 3.783 . 0 0 "[ . 1 . 2 .]" 1
89 1 3 DT H1' 1 4 DA H8 . 2.300 4.000 3.796 3.383 4.044 0.044 7 0 "[ . 1 . 2 .]" 1
90 1 3 DT H3 2 14 DA N1 . . 2.050 1.904 1.875 1.970 . 0 0 "[ . 1 . 2 .]" 1
91 1 3 DT H3' 1 3 DT H6 . 2.500 5.000 3.963 3.476 4.282 . 0 0 "[ . 1 . 2 .]" 1
92 1 3 DT H3' 1 4 DA H8 . 2.500 5.000 4.903 4.384 5.085 0.085 11 0 "[ . 1 . 2 .]" 1
93 1 3 DT H3' 3 49 HIS HE1 . . 5.500 4.964 2.865 5.534 0.034 24 0 "[ . 1 . 2 .]" 1
94 1 3 DT H3' 3 54 VAL QG . . 8.900 6.370 4.935 6.628 . 0 0 "[ . 1 . 2 .]" 1
95 1 3 DT H4' 1 3 DT H6 . 2.500 5.000 4.673 4.550 4.815 . 0 0 "[ . 1 . 2 .]" 1
96 1 3 DT H4' 1 4 DA H8 . 3.000 6.000 5.966 5.495 6.078 0.078 3 0 "[ . 1 . 2 .]" 1
97 1 3 DT Q5' 3 56 LYS QB . . 7.500 5.018 3.058 5.970 . 0 0 "[ . 1 . 2 .]" 1
98 1 3 DT H6 1 4 DA H8 . 2.500 5.000 4.257 3.859 5.002 0.002 19 0 "[ . 1 . 2 .]" 1
99 1 3 DT H6 3 95 ASN QB . . 6.500 5.160 4.348 5.835 . 0 0 "[ . 1 . 2 .]" 1
100 1 3 DT M7 3 96 HIS HA . . 6.000 2.758 2.076 3.973 . 0 0 "[ . 1 . 2 .]" 1
101 1 3 DT M7 3 99 SER HB2 . . 6.000 3.427 2.245 4.758 . 0 0 "[ . 1 . 2 .]" 1
102 1 3 DT M7 3 99 SER HB3 . . 6.000 3.268 2.291 4.970 . 0 0 "[ . 1 . 2 .]" 1
103 1 3 DT N1 2 14 DA C4 . 7.580 7.780 7.612 7.549 7.720 0.031 24 0 "[ . 1 . 2 .]" 1
104 1 3 DT N1 2 14 DA C5 . 7.280 7.480 7.343 7.261 7.466 0.019 22 0 "[ . 1 . 2 .]" 1
105 1 3 DT N1 2 14 DA N3 . 6.890 7.090 6.894 6.836 6.989 0.054 24 0 "[ . 1 . 2 .]" 1
106 1 3 DT N3 2 14 DA C2 . 3.740 3.940 3.788 3.728 3.855 0.012 15 0 "[ . 1 . 2 .]" 1
107 1 3 DT N3 2 14 DA C6 . 3.670 3.870 3.738 3.690 3.830 . 0 0 "[ . 1 . 2 .]" 1
108 1 3 DT N3 2 14 DA N1 . 2.850 3.050 2.902 2.881 2.937 . 0 0 "[ . 1 . 2 .]" 1
109 1 3 DT O4 2 14 DA H61 . . 1.910 1.946 1.875 2.120 0.210 23 0 "[ . 1 . 2 .]" 1
110 1 3 DT O4 2 14 DA N6 . 2.710 2.910 2.946 2.853 3.099 0.189 23 0 "[ . 1 . 2 .]" 1
111 1 4 DA C2 2 13 DT C2 . 4.210 4.410 4.225 4.159 4.414 0.051 8 0 "[ . 1 . 2 .]" 1
112 1 4 DA C2 2 13 DT C4 . 4.800 5.000 4.859 4.770 4.981 0.030 21 0 "[ . 1 . 2 .]" 1
113 1 4 DA C2 2 13 DT N3 . 3.740 3.940 3.794 3.726 3.951 0.014 7 0 "[ . 1 . 2 .]" 1
114 1 4 DA C4 2 13 DT C5 . 7.650 7.850 7.669 7.595 7.771 0.055 23 0 "[ . 1 . 2 .]" 1
115 1 4 DA C4 2 13 DT C6 . 8.190 8.390 8.217 8.169 8.289 0.021 14 0 "[ . 1 . 2 .]" 1
116 1 4 DA C4 2 13 DT N1 . 7.580 7.780 7.621 7.559 7.727 0.021 13 0 "[ . 1 . 2 .]" 1
117 1 4 DA C5 2 13 DT C5 . 6.950 7.150 7.008 6.905 7.105 0.045 15 0 "[ . 1 . 2 .]" 1
118 1 4 DA C5 2 13 DT C6 . 7.680 7.880 7.745 7.662 7.842 0.018 2 0 "[ . 1 . 2 .]" 1
119 1 4 DA C5 2 13 DT N1 . 7.280 7.480 7.352 7.256 7.476 0.024 14 0 "[ . 1 . 2 .]" 1
120 1 4 DA C6 2 13 DT C2 . 4.740 4.940 4.811 4.678 4.979 0.062 14 0 "[ . 1 . 2 .]" 1
121 1 4 DA C6 2 13 DT C4 . 4.090 4.290 4.205 4.122 4.261 . 0 0 "[ . 1 . 2 .]" 1
122 1 4 DA C6 2 13 DT N3 . 3.670 3.870 3.745 3.635 3.855 0.035 15 0 "[ . 1 . 2 .]" 1
123 1 4 DA H1' 1 4 DA H8 . 2.300 4.000 3.902 3.870 3.919 . 0 0 "[ . 1 . 2 .]" 1
124 1 4 DA H1' 1 5 DA H8 . 2.300 4.000 4.031 3.297 4.280 0.280 7 0 "[ . 1 . 2 .]" 1
125 1 4 DA H3' 1 4 DA H8 . 2.500 5.000 4.160 3.251 4.668 . 0 0 "[ . 1 . 2 .]" 1
126 1 4 DA H3' 1 5 DA H8 . 2.500 5.000 4.715 4.057 5.076 0.076 23 0 "[ . 1 . 2 .]" 1
127 1 4 DA H3' 3 50 LEU MD1 . . 8.400 4.809 2.836 7.016 . 0 0 "[ . 1 . 2 .]" 1
128 1 4 DA H4' 1 4 DA H8 . 3.000 6.000 4.879 4.768 4.968 . 0 0 "[ . 1 . 2 .]" 1
129 1 4 DA H61 2 13 DT O4 . . 1.910 1.950 1.889 2.044 0.134 23 0 "[ . 1 . 2 .]" 1
130 1 4 DA H8 1 5 DA H8 . 3.000 6.000 5.244 4.386 6.012 0.012 13 0 "[ . 1 . 2 .]" 1
131 1 4 DA H8 3 95 ASN QB . . 6.500 5.116 4.139 5.812 . 0 0 "[ . 1 . 2 .]" 1
132 1 4 DA N1 2 13 DT C2 . 3.680 3.880 3.726 3.635 3.863 0.045 4 0 "[ . 1 . 2 .]" 1
133 1 4 DA N1 2 13 DT C4 . 3.680 3.880 3.766 3.692 3.854 . 0 0 "[ . 1 . 2 .]" 1
134 1 4 DA N1 2 13 DT H3 . . 2.050 1.928 1.869 1.991 . 0 0 "[ . 1 . 2 .]" 1
135 1 4 DA N1 2 13 DT N3 . 2.850 3.050 2.916 2.874 2.961 . 0 0 "[ . 1 . 2 .]" 1
136 1 4 DA N3 2 13 DT C5 . 7.360 7.560 7.353 7.271 7.480 0.089 23 0 "[ . 1 . 2 .]" 1
137 1 4 DA N3 2 13 DT C6 . 7.690 7.890 7.690 7.641 7.810 0.049 23 0 "[ . 1 . 2 .]" 1
138 1 4 DA N3 2 13 DT N1 . 6.890 7.090 6.911 6.849 7.093 0.041 8 0 "[ . 1 . 2 .]" 1
139 1 4 DA N6 2 13 DT O4 . 2.710 2.910 2.907 2.811 2.973 0.063 6 0 "[ . 1 . 2 .]" 1
140 1 5 DA C2 2 12 DT C2 . 4.210 4.410 4.266 4.142 4.457 0.068 13 0 "[ . 1 . 2 .]" 1
141 1 5 DA C2 2 12 DT C4 . 4.800 5.000 4.870 4.761 5.010 0.039 15 0 "[ . 1 . 2 .]" 1
142 1 5 DA C2 2 12 DT N3 . 3.740 3.940 3.807 3.710 3.936 0.030 4 0 "[ . 1 . 2 .]" 1
143 1 5 DA C4 2 12 DT C5 . 7.650 7.850 7.711 7.630 7.834 0.020 16 0 "[ . 1 . 2 .]" 1
144 1 5 DA C4 2 12 DT C6 . 8.190 8.390 8.272 8.186 8.385 0.004 7 0 "[ . 1 . 2 .]" 1
145 1 5 DA C4 2 12 DT N1 . 7.580 7.780 7.670 7.576 7.814 0.034 16 0 "[ . 1 . 2 .]" 1
146 1 5 DA C5 2 12 DT C5 . 6.950 7.150 7.023 6.853 7.113 0.097 20 0 "[ . 1 . 2 .]" 1
147 1 5 DA C5 2 12 DT C6 . 7.680 7.880 7.770 7.639 7.850 0.041 20 0 "[ . 1 . 2 .]" 1
148 1 5 DA C5 2 12 DT N1 . 7.280 7.480 7.380 7.293 7.493 0.013 16 0 "[ . 1 . 2 .]" 1
149 1 5 DA C6 2 12 DT C2 . 4.740 4.940 4.838 4.697 5.007 0.067 23 0 "[ . 1 . 2 .]" 1
150 1 5 DA C6 2 12 DT C4 . 4.090 4.290 4.203 4.070 4.274 0.020 20 0 "[ . 1 . 2 .]" 1
151 1 5 DA C6 2 12 DT N3 . 3.670 3.870 3.760 3.667 3.850 0.003 20 0 "[ . 1 . 2 .]" 1
152 1 5 DA H1' 1 5 DA H2 . 2.500 5.000 4.505 4.457 4.561 . 0 0 "[ . 1 . 2 .]" 1
153 1 5 DA H1' 1 5 DA H8 . 2.500 5.000 3.917 3.888 3.929 . 0 0 "[ . 1 . 2 .]" 1
154 1 5 DA H1' 1 6 DC H5 . 2.500 5.000 4.515 3.980 5.010 0.010 24 0 "[ . 1 . 2 .]" 1
155 1 5 DA H1' 1 6 DC H6 . 2.500 5.000 3.502 3.120 4.027 . 0 0 "[ . 1 . 2 .]" 1
156 1 5 DA H2 1 6 DC H1' . 2.500 5.000 4.020 3.302 5.003 0.003 7 0 "[ . 1 . 2 .]" 1
157 1 5 DA H2 1 6 DC H5 . 5.000 6.000 5.487 4.959 6.005 0.041 11 0 "[ . 1 . 2 .]" 1
158 1 5 DA H2 2 13 DT H1' . 2.500 5.000 4.106 3.336 5.014 0.014 7 0 "[ . 1 . 2 .]" 1
159 1 5 DA H3' 1 5 DA H8 . 2.500 5.000 4.170 3.762 4.502 . 0 0 "[ . 1 . 2 .]" 1
160 1 5 DA H3' 1 6 DC H5 . 3.000 6.000 5.464 4.935 5.853 . 0 0 "[ . 1 . 2 .]" 1
161 1 5 DA H3' 1 6 DC H6 . 2.500 5.000 4.909 4.700 5.097 0.097 14 0 "[ . 1 . 2 .]" 1
162 1 5 DA H3' 3 6 PRO QB . . 6.500 4.899 3.645 5.805 . 0 0 "[ . 1 . 2 .]" 1
163 1 5 DA H3' 3 7 TRP HB2 . . 4.500 3.431 2.087 4.095 . 0 0 "[ . 1 . 2 .]" 1
164 1 5 DA H3' 3 7 TRP HD1 . . 5.500 3.437 2.285 4.774 . 0 0 "[ . 1 . 2 .]" 1
165 1 5 DA H4' 1 5 DA H8 . 3.000 6.000 4.865 4.722 5.029 . 0 0 "[ . 1 . 2 .]" 1
166 1 5 DA H4' 1 6 DC H6 . 3.000 6.000 5.840 5.494 6.068 0.068 8 0 "[ . 1 . 2 .]" 1
167 1 5 DA H4' 3 7 TRP HD1 . . 5.500 5.352 4.216 5.563 0.063 11 0 "[ . 1 . 2 .]" 1
168 1 5 DA Q5' 3 7 TRP HD1 . . 6.500 4.223 3.115 5.656 . 0 0 "[ . 1 . 2 .]" 1
169 1 5 DA H61 2 12 DT O4 . . 1.910 1.933 1.889 2.036 0.126 15 0 "[ . 1 . 2 .]" 1
170 1 5 DA H8 1 6 DC H5 . 2.500 5.000 4.270 3.511 5.027 0.027 2 0 "[ . 1 . 2 .]" 1
171 1 5 DA H8 1 6 DC H6 . 3.000 6.000 5.256 4.520 5.895 . 0 0 "[ . 1 . 2 .]" 1
172 1 5 DA N1 2 12 DT C2 . 3.680 3.880 3.761 3.638 3.929 0.049 16 0 "[ . 1 . 2 .]" 1
173 1 5 DA N1 2 12 DT C4 . 3.680 3.880 3.768 3.675 3.875 0.005 16 0 "[ . 1 . 2 .]" 1
174 1 5 DA N1 2 12 DT H3 . . 2.050 1.931 1.877 2.065 0.015 7 0 "[ . 1 . 2 .]" 1
175 1 5 DA N1 2 12 DT N3 . 2.850 3.050 2.931 2.885 3.014 . 0 0 "[ . 1 . 2 .]" 1
176 1 5 DA N3 2 12 DT C5 . 7.360 7.560 7.407 7.315 7.549 0.045 15 0 "[ . 1 . 2 .]" 1
177 1 5 DA N3 2 12 DT C6 . 7.690 7.890 7.759 7.672 7.896 0.018 14 0 "[ . 1 . 2 .]" 1
178 1 5 DA N3 2 12 DT N1 . 6.890 7.090 6.972 6.849 7.185 0.095 20 0 "[ . 1 . 2 .]" 1
179 1 5 DA N6 2 12 DT O4 . 2.710 2.910 2.889 2.759 2.986 0.076 22 0 "[ . 1 . 2 .]" 1
180 1 6 DC C2 2 11 DG C2 . 4.200 4.400 4.280 4.211 4.386 . 0 0 "[ . 1 . 2 .]" 1
181 1 6 DC C2 2 11 DG C6 . 4.710 4.910 4.848 4.688 4.959 0.049 9 0 "[ . 1 . 2 .]" 1
182 1 6 DC C2 2 11 DG N1 . 3.660 3.860 3.790 3.681 3.889 0.029 9 0 "[ . 1 . 2 .]" 1
183 1 6 DC C4 2 11 DG C2 . 4.800 5.000 4.872 4.753 5.016 0.047 9 0 "[ . 1 . 2 .]" 1
184 1 6 DC C4 2 11 DG C6 . 4.040 4.240 4.184 4.105 4.252 0.012 23 0 "[ . 1 . 2 .]" 1
185 1 6 DC C4 2 11 DG N1 . 3.670 3.870 3.777 3.682 3.874 0.004 18 0 "[ . 1 . 2 .]" 1
186 1 6 DC C5 2 11 DG C4 . 7.620 7.820 7.713 7.610 7.791 0.010 17 0 "[ . 1 . 2 .]" 1
187 1 6 DC C5 2 11 DG C5 . 6.880 7.080 7.004 6.886 7.090 0.010 25 0 "[ . 1 . 2 .]" 1
188 1 6 DC C5 2 11 DG N3 . 7.370 7.570 7.442 7.358 7.554 0.012 15 0 "[ . 1 . 2 .]" 1
189 1 6 DC C6 2 11 DG C4 . 8.170 8.370 8.267 8.188 8.341 . 0 0 "[ . 1 . 2 .]" 1
190 1 6 DC C6 2 11 DG C5 . 7.620 7.820 7.743 7.644 7.823 0.003 1 0 "[ . 1 . 2 .]" 1
191 1 6 DC C6 2 11 DG N3 . 7.710 7.910 7.783 7.716 7.841 . 0 0 "[ . 1 . 2 .]" 1
192 1 6 DC H1' 1 6 DC H5 . 3.000 6.000 5.445 5.426 5.463 . 0 0 "[ . 1 . 2 .]" 1
193 1 6 DC H1' 1 6 DC H6 . 2.300 4.000 3.724 3.700 3.738 . 0 0 "[ . 1 . 2 .]" 1
194 1 6 DC H1' 1 7 DT H3' . 3.000 6.000 5.620 5.362 5.961 . 0 0 "[ . 1 . 2 .]" 1
195 1 6 DC H1' 1 7 DT H4' . 2.500 5.000 4.493 3.986 4.814 . 0 0 "[ . 1 . 2 .]" 1
196 1 6 DC H1' 1 7 DT H6 . 2.300 4.000 3.785 3.620 4.059 0.059 8 0 "[ . 1 . 2 .]" 1
197 1 6 DC H1' 1 7 DT M7 . 3.000 7.000 4.067 3.796 4.462 . 0 0 "[ . 1 . 2 .]" 1
198 1 6 DC H3' 1 6 DC H6 . 2.500 5.000 3.881 3.494 4.074 . 0 0 "[ . 1 . 2 .]" 1
199 1 6 DC H3' 1 7 DT H6 . 2.500 5.000 4.769 4.561 4.953 . 0 0 "[ . 1 . 2 .]" 1
200 1 6 DC H3' 1 7 DT M7 . 3.000 7.000 4.020 3.629 4.330 . 0 0 "[ . 1 . 2 .]" 1
201 1 6 DC H4' 1 6 DC H6 . 2.500 5.000 4.515 4.402 4.595 . 0 0 "[ . 1 . 2 .]" 1
202 1 6 DC H4' 1 7 DT H6 . 5.000 6.000 5.941 5.597 6.058 0.058 3 0 "[ . 1 . 2 .]" 1
203 1 6 DC H41 2 11 DG O6 . . 1.800 1.889 1.847 1.960 0.160 23 0 "[ . 1 . 2 .]" 1
204 1 6 DC Q5' 3 4 LYS QB . . 7.500 4.673 2.350 5.967 . 0 0 "[ . 1 . 2 .]" 1
205 1 6 DC H6 1 7 DT H6 . 3.000 6.000 5.059 4.594 5.585 . 0 0 "[ . 1 . 2 .]" 1
206 1 6 DC H6 1 7 DT M7 . 2.500 5.000 3.169 2.746 4.101 . 0 0 "[ . 1 . 2 .]" 1
207 1 6 DC N1 2 11 DG C4 . 7.570 7.770 7.679 7.605 7.770 . 0 0 "[ . 1 . 2 .]" 1
208 1 6 DC N1 2 11 DG C5 . 7.240 7.440 7.369 7.255 7.454 0.014 1 0 "[ . 1 . 2 .]" 1
209 1 6 DC N1 2 11 DG N3 . 6.920 7.120 7.006 6.917 7.117 0.003 7 0 "[ . 1 . 2 .]" 1
210 1 6 DC N3 2 11 DG C2 . 3.730 3.930 3.800 3.718 3.888 0.012 15 0 "[ . 1 . 2 .]" 1
211 1 6 DC N3 2 11 DG C6 . 3.600 3.800 3.742 3.626 3.841 0.041 23 0 "[ . 1 . 2 .]" 1
212 1 6 DC N3 2 11 DG H1 . . 2.010 1.948 1.898 2.002 . 0 0 "[ . 1 . 2 .]" 1
213 1 6 DC N3 2 11 DG N1 . 2.810 3.010 2.936 2.882 2.981 . 0 0 "[ . 1 . 2 .]" 1
214 1 6 DC N4 2 11 DG O6 . 2.600 2.800 2.859 2.796 2.932 0.132 23 0 "[ . 1 . 2 .]" 1
215 1 6 DC O2 2 11 DG H21 . . 2.100 1.963 1.870 2.130 0.030 7 0 "[ . 1 . 2 .]" 1
216 1 6 DC O2 2 11 DG N2 . 2.900 3.100 2.957 2.861 3.136 0.039 7 0 "[ . 1 . 2 .]" 1
217 1 7 DT C4 2 10 DA C2 . 4.800 5.000 4.829 4.760 4.997 0.040 5 0 "[ . 1 . 2 .]" 1
218 1 7 DT C4 2 10 DA C6 . 4.090 4.290 4.174 4.124 4.239 . 0 0 "[ . 1 . 2 .]" 1
219 1 7 DT C4 2 10 DA N1 . 3.680 3.880 3.736 3.682 3.854 . 0 0 "[ . 1 . 2 .]" 1
220 1 7 DT H1' 1 7 DT H6 . 2.300 4.000 3.744 3.731 3.754 . 0 0 "[ . 1 . 2 .]" 1
221 1 7 DT H1' 1 8 DG H4' . 2.500 5.000 4.745 4.486 5.020 0.020 14 0 "[ . 1 . 2 .]" 1
222 1 7 DT H1' 1 8 DG H8 . 2.300 4.000 3.936 3.798 4.101 0.101 5 0 "[ . 1 . 2 .]" 1
223 1 7 DT H1' 2 10 DA H2 . 3.000 6.000 5.290 5.082 5.621 . 0 0 "[ . 1 . 2 .]" 1
224 1 7 DT H3 2 10 DA N1 . . 2.050 1.898 1.851 1.969 . 0 0 "[ . 1 . 2 .]" 1
225 1 7 DT H3' 1 7 DT H6 . 2.500 5.000 3.908 3.729 4.076 . 0 0 "[ . 1 . 2 .]" 1
226 1 7 DT H3' 1 8 DG H8 . 2.500 5.000 4.790 4.516 5.041 0.041 7 0 "[ . 1 . 2 .]" 1
227 1 7 DT H4' 1 7 DT H6 . 2.500 5.000 4.686 4.603 4.744 . 0 0 "[ . 1 . 2 .]" 1
228 1 7 DT H6 1 8 DG H8 . 2.500 5.000 4.449 3.867 4.943 . 0 0 "[ . 1 . 2 .]" 1
229 1 7 DT M7 3 40 LYS QE . . 7.000 2.957 1.997 5.199 . 0 0 "[ . 1 . 2 .]" 1
230 1 7 DT N3 2 10 DA C2 . 3.740 3.940 3.778 3.716 3.904 0.024 11 0 "[ . 1 . 2 .]" 1
231 1 7 DT N3 2 10 DA C6 . 3.670 3.870 3.738 3.629 3.827 0.041 20 0 "[ . 1 . 2 .]" 1
232 1 7 DT N3 2 10 DA N1 . 2.850 3.050 2.903 2.860 2.961 . 0 0 "[ . 1 . 2 .]" 1
233 1 7 DT O4 2 10 DA H61 . . 1.910 1.941 1.851 2.027 0.117 12 0 "[ . 1 . 2 .]" 1
234 1 7 DT O4 2 10 DA N6 . 2.710 2.910 2.874 2.766 2.955 0.045 11 0 "[ . 1 . 2 .]" 1
235 1 8 DG H1' 1 8 DG H8 . 2.300 4.000 3.915 3.909 3.922 . 0 0 "[ . 1 . 2 .]" 1
236 1 8 DG H1' 1 9 DA H1' . 3.000 6.000 5.077 4.464 5.712 . 0 0 "[ . 1 . 2 .]" 1
237 1 8 DG H1' 1 9 DA H3' . 3.000 6.000 5.692 5.384 6.026 0.026 7 0 "[ . 1 . 2 .]" 1
238 1 8 DG H1' 1 9 DA H8 . 2.300 4.000 3.824 3.579 4.022 0.022 7 0 "[ . 1 . 2 .]" 1
239 1 8 DG H3' 1 8 DG H8 . 2.500 5.000 4.260 4.089 4.387 . 0 0 "[ . 1 . 2 .]" 1
240 1 8 DG H3' 1 9 DA H8 . 2.500 5.000 4.928 4.777 5.115 0.115 21 0 "[ . 1 . 2 .]" 1
241 1 8 DG H4' 1 8 DG H8 . 3.000 6.000 5.023 4.948 5.103 . 0 0 "[ . 1 . 2 .]" 1
242 1 8 DG H8 1 9 DA H8 . 3.000 6.000 4.600 3.967 5.171 . 0 0 "[ . 1 . 2 .]" 1
243 1 9 DA C4 2 8 DT C6 . 8.190 8.390 8.262 8.189 8.325 0.001 9 0 "[ . 1 . 2 .]" 1
244 1 9 DA C4 2 8 DT N1 . 7.580 7.780 7.673 7.544 7.798 0.036 11 0 "[ . 1 . 2 .]" 1
245 1 9 DA H1' 1 9 DA H2 . 2.500 5.000 4.490 4.468 4.520 . 0 0 "[ . 1 . 2 .]" 1
246 1 9 DA H1' 1 9 DA H8 . 2.500 5.000 3.920 3.910 3.928 . 0 0 "[ . 1 . 2 .]" 1
247 1 9 DA H1' 1 10 DC H1' . 2.500 5.000 4.746 4.138 5.125 0.125 21 0 "[ . 1 . 2 .]" 1
248 1 9 DA H1' 1 10 DC H3' . 3.000 6.000 5.653 5.426 5.926 . 0 0 "[ . 1 . 2 .]" 1
249 1 9 DA H1' 1 10 DC H5 . 2.500 5.000 4.838 4.425 5.020 0.020 14 0 "[ . 1 . 2 .]" 1
250 1 9 DA H1' 1 10 DC H6 . 2.300 4.000 3.794 3.538 3.999 . 0 0 "[ . 1 . 2 .]" 1
251 1 9 DA H2 1 10 DC H1' . 2.500 5.000 3.655 2.993 4.457 . 0 0 "[ . 1 . 2 .]" 1
252 1 9 DA H2 2 8 DT H1' . 3.000 6.000 5.333 5.073 5.634 . 0 0 "[ . 1 . 2 .]" 1
253 1 9 DA H2 2 9 DC H1' . 2.500 5.000 3.590 2.883 4.304 . 0 0 "[ . 1 . 2 .]" 1
254 1 9 DA H3' 1 9 DA H8 . 2.500 5.000 4.215 3.990 4.409 . 0 0 "[ . 1 . 2 .]" 1
255 1 9 DA H3' 1 10 DC H6 . 2.500 5.000 4.878 4.673 5.002 0.002 21 0 "[ . 1 . 2 .]" 1
256 1 9 DA H4' 1 9 DA H8 . 3.000 6.000 4.945 4.860 5.029 . 0 0 "[ . 1 . 2 .]" 1
257 1 9 DA H8 1 10 DC H5 . 2.500 5.000 4.009 3.391 4.632 . 0 0 "[ . 1 . 2 .]" 1
258 1 9 DA H8 1 10 DC H6 . 3.000 6.000 5.001 4.484 5.470 . 0 0 "[ . 1 . 2 .]" 1
259 1 9 DA N3 2 8 DT C5 . 7.360 7.560 7.373 7.323 7.436 0.037 6 0 "[ . 1 . 2 .]" 1
260 1 9 DA N3 2 8 DT C6 . 7.690 7.890 7.744 7.681 7.816 0.009 9 0 "[ . 1 . 2 .]" 1
261 1 9 DA N3 2 8 DT N1 . 6.890 7.090 6.971 6.859 7.115 0.031 15 0 "[ . 1 . 2 .]" 1
262 1 10 DC C2 2 7 DG C2 . 4.200 4.400 4.214 4.189 4.253 0.011 18 0 "[ . 1 . 2 .]" 1
263 1 10 DC C2 2 7 DG C6 . 4.710 4.910 4.720 4.609 4.914 0.101 23 0 "[ . 1 . 2 .]" 1
264 1 10 DC C2 2 7 DG N1 . 3.660 3.860 3.683 3.618 3.800 0.042 3 0 "[ . 1 . 2 .]" 1
265 1 10 DC C4 2 7 DG C2 . 4.800 5.000 4.940 4.755 5.043 0.045 19 0 "[ . 1 . 2 .]" 1
266 1 10 DC C4 2 7 DG C6 . 4.040 4.240 4.211 4.154 4.248 0.008 18 0 "[ . 1 . 2 .]" 1
267 1 10 DC C4 2 7 DG N1 . 3.670 3.870 3.835 3.726 3.903 0.033 24 0 "[ . 1 . 2 .]" 1
268 1 10 DC C5 2 7 DG C4 . 7.620 7.820 7.747 7.664 7.812 . 0 0 "[ . 1 . 2 .]" 1
269 1 10 DC C5 2 7 DG C5 . 6.880 7.080 7.051 6.948 7.103 0.023 21 0 "[ . 1 . 2 .]" 1
270 1 10 DC C5 2 7 DG N3 . 7.370 7.570 7.471 7.309 7.557 0.061 11 0 "[ . 1 . 2 .]" 1
271 1 10 DC C6 2 7 DG C4 . 8.170 8.370 8.243 8.187 8.288 . 0 0 "[ . 1 . 2 .]" 1
272 1 10 DC C6 2 7 DG C5 . 7.620 7.820 7.732 7.643 7.819 . 0 0 "[ . 1 . 2 .]" 1
273 1 10 DC C6 2 7 DG N3 . 7.710 7.910 7.755 7.649 7.814 0.061 11 0 "[ . 1 . 2 .]" 1
274 1 10 DC H1' 1 10 DC H5 . 3.000 6.000 5.431 5.410 5.448 . 0 0 "[ . 1 . 2 .]" 1
275 1 10 DC H1' 1 10 DC H6 . 2.500 5.000 3.720 3.694 3.743 . 0 0 "[ . 1 . 2 .]" 1
276 1 10 DC H1' 1 11 DA H8 . 2.300 4.000 4.065 3.893 4.171 0.171 12 0 "[ . 1 . 2 .]" 1
277 1 10 DC H3' 1 10 DC H6 . 2.500 5.000 3.751 3.394 4.195 . 0 0 "[ . 1 . 2 .]" 1
278 1 10 DC H3' 1 11 DA H8 . 2.500 5.000 4.401 4.018 4.866 . 0 0 "[ . 1 . 2 .]" 1
279 1 10 DC H4' 1 10 DC H6 . 2.500 5.000 4.552 4.447 4.645 . 0 0 "[ . 1 . 2 .]" 1
280 1 10 DC H41 2 7 DG O6 . . 1.800 1.929 1.882 2.009 0.209 15 0 "[ . 1 . 2 .]" 1
281 1 10 DC H6 1 11 DA H8 . 2.500 5.000 4.766 4.060 5.147 0.147 11 0 "[ . 1 . 2 .]" 1
282 1 10 DC N1 2 7 DG C4 . 7.570 7.770 7.595 7.558 7.653 0.012 25 0 "[ . 1 . 2 .]" 1
283 1 10 DC N1 2 7 DG C5 . 7.240 7.440 7.283 7.212 7.414 0.028 23 0 "[ . 1 . 2 .]" 1
284 1 10 DC N1 2 7 DG N3 . 6.920 7.120 6.931 6.895 6.962 0.025 11 0 "[ . 1 . 2 .]" 1
285 1 10 DC N3 2 7 DG C2 . 3.730 3.930 3.822 3.694 3.890 0.036 19 0 "[ . 1 . 2 .]" 1
286 1 10 DC N3 2 7 DG C6 . 3.600 3.800 3.667 3.590 3.804 0.010 3 0 "[ . 1 . 2 .]" 1
287 1 10 DC N3 2 7 DG H1 . . 2.010 1.922 1.873 1.952 . 0 0 "[ . 1 . 2 .]" 1
288 1 10 DC N3 2 7 DG N1 . 2.810 3.010 2.910 2.867 2.934 . 0 0 "[ . 1 . 2 .]" 1
289 1 10 DC N4 2 7 DG O6 . 2.600 2.800 2.916 2.863 2.995 0.195 15 0 "[ . 1 . 2 .]" 1
290 1 10 DC O2 2 7 DG H21 . . 2.100 1.883 1.855 1.981 0.045 19 0 "[ . 1 . 2 .]" 1
291 1 10 DC O2 2 7 DG N2 . 2.900 3.100 2.876 2.837 2.971 0.063 25 0 "[ . 1 . 2 .]" 1
292 1 11 DA C2 2 6 DT C2 . 4.210 4.410 4.205 4.127 4.384 0.083 21 0 "[ . 1 . 2 .]" 1
293 1 11 DA C2 2 6 DT C4 . 4.800 5.000 4.893 4.794 5.036 0.036 5 0 "[ . 1 . 2 .]" 1
294 1 11 DA C2 2 6 DT N3 . 3.740 3.940 3.799 3.718 3.955 0.022 10 0 "[ . 1 . 2 .]" 1
295 1 11 DA C4 2 6 DT C5 . 7.650 7.850 7.724 7.621 7.831 0.029 3 0 "[ . 1 . 2 .]" 1
296 1 11 DA C4 2 6 DT C6 . 8.190 8.390 8.251 8.199 8.372 . 0 0 "[ . 1 . 2 .]" 1
297 1 11 DA C4 2 6 DT N1 . 7.580 7.780 7.611 7.531 7.751 0.049 21 0 "[ . 1 . 2 .]" 1
298 1 11 DA C5 2 6 DT C5 . 6.950 7.150 7.045 6.937 7.138 0.013 3 0 "[ . 1 . 2 .]" 1
299 1 11 DA C5 2 6 DT C6 . 7.680 7.880 7.756 7.706 7.817 . 0 0 "[ . 1 . 2 .]" 1
300 1 11 DA C5 2 6 DT N1 . 7.280 7.480 7.321 7.276 7.404 0.004 25 0 "[ . 1 . 2 .]" 1
301 1 11 DA C6 2 6 DT C2 . 4.740 4.940 4.757 4.691 4.847 0.049 25 0 "[ . 1 . 2 .]" 1
302 1 11 DA C6 2 6 DT C4 . 4.090 4.290 4.217 4.150 4.305 0.015 21 0 "[ . 1 . 2 .]" 1
303 1 11 DA C6 2 6 DT N3 . 3.670 3.870 3.713 3.673 3.774 . 0 0 "[ . 1 . 2 .]" 1
304 1 11 DA H1' 1 11 DA H2 . 2.500 5.000 4.489 4.450 4.560 . 0 0 "[ . 1 . 2 .]" 1
305 1 11 DA H1' 1 11 DA H8 . 2.300 4.000 3.925 3.909 3.932 . 0 0 "[ . 1 . 2 .]" 1
306 1 11 DA H3' 1 11 DA H8 . 2.500 5.000 4.279 3.925 4.405 . 0 0 "[ . 1 . 2 .]" 1
307 1 11 DA H4' 1 11 DA H8 . 3.000 6.000 4.920 4.690 5.133 . 0 0 "[ . 1 . 2 .]" 1
308 1 11 DA H61 2 6 DT O4 . . 1.910 1.955 1.887 2.046 0.136 21 0 "[ . 1 . 2 .]" 1
309 1 11 DA N1 2 6 DT C2 . 3.680 3.880 3.685 3.631 3.807 0.049 24 0 "[ . 1 . 2 .]" 1
310 1 11 DA N1 2 6 DT C4 . 3.680 3.880 3.787 3.707 3.891 0.011 5 0 "[ . 1 . 2 .]" 1
311 1 11 DA N1 2 6 DT H3 . . 2.050 1.897 1.846 2.003 0.004 10 0 "[ . 1 . 2 .]" 1
312 1 11 DA N1 2 6 DT N3 . 2.850 3.050 2.900 2.852 3.016 . 0 0 "[ . 1 . 2 .]" 1
313 1 11 DA N3 2 6 DT C5 . 7.360 7.560 7.410 7.340 7.570 0.020 10 0 "[ . 1 . 2 .]" 1
314 1 11 DA N3 2 6 DT C6 . 7.690 7.890 7.728 7.671 7.904 0.019 19 0 "[ . 1 . 2 .]" 1
315 1 11 DA N3 2 6 DT N1 . 6.890 7.090 6.913 6.816 7.102 0.074 21 0 "[ . 1 . 2 .]" 1
316 1 11 DA N6 2 6 DT O4 . 2.710 2.910 2.927 2.817 3.058 0.148 21 0 "[ . 1 . 2 .]" 1
317 2 6 DT H1' 2 6 DT H6 . 2.500 5.000 3.740 3.701 3.771 . 0 0 "[ . 1 . 2 .]" 1
318 2 6 DT H1' 2 7 DG H8 . 2.300 4.000 3.881 2.554 4.079 0.079 20 0 "[ . 1 . 2 .]" 1
319 2 6 DT H3' 2 6 DT H6 . 2.500 5.000 3.848 3.255 4.316 . 0 0 "[ . 1 . 2 .]" 1
320 2 6 DT H3' 2 7 DG H8 . 2.500 5.000 4.706 4.272 5.014 0.014 13 0 "[ . 1 . 2 .]" 1
321 2 6 DT H3' 3 28 SER QB . . 6.500 3.338 1.984 5.572 . 0 0 "[ . 1 . 2 .]" 1
322 2 6 DT H3' 3 31 ALA MB . . 8.000 6.056 4.847 6.673 . 0 0 "[ . 1 . 2 .]" 1
323 2 6 DT H4' 2 6 DT H6 . 2.500 5.000 4.665 4.547 4.813 . 0 0 "[ . 1 . 2 .]" 1
324 2 6 DT H6 2 7 DG H8 . 2.500 5.000 4.327 3.376 5.253 0.253 5 0 "[ . 1 . 2 .]" 1
325 2 7 DG H1' 2 7 DG H8 . 2.500 5.000 3.920 3.896 3.937 . 0 0 "[ . 1 . 2 .]" 1
326 2 7 DG H1' 2 8 DT H3' . 3.000 6.000 5.620 5.134 6.003 0.003 21 0 "[ . 1 . 2 .]" 1
327 2 7 DG H1' 2 8 DT H4' . 2.500 5.000 4.391 3.708 5.060 0.060 24 0 "[ . 1 . 2 .]" 1
328 2 7 DG H1' 2 8 DT H6 . 2.300 4.000 3.814 3.473 4.087 0.087 23 0 "[ . 1 . 2 .]" 1
329 2 7 DG H1' 2 8 DT M7 . 3.000 7.000 4.154 3.886 4.841 . 0 0 "[ . 1 . 2 .]" 1
330 2 7 DG H1' 3 27 TRP HD1 . . 6.500 5.839 4.922 6.512 0.012 23 0 "[ . 1 . 2 .]" 1
331 2 7 DG H3' 2 7 DG H8 . 2.500 5.000 4.201 3.602 4.446 . 0 0 "[ . 1 . 2 .]" 1
332 2 7 DG H3' 2 8 DT H6 . 2.500 5.000 4.929 4.778 5.079 0.079 12 0 "[ . 1 . 2 .]" 1
333 2 7 DG H3' 2 8 DT M7 . 3.000 7.000 4.340 3.802 4.978 . 0 0 "[ . 1 . 2 .]" 1
334 2 7 DG H3' 3 25 LYS HB2 . . 6.500 5.300 3.574 6.467 . 0 0 "[ . 1 . 2 .]" 1
335 2 7 DG H3' 3 25 LYS HB3 . . 6.500 5.443 3.474 6.547 0.047 12 0 "[ . 1 . 2 .]" 1
336 2 7 DG H3' 3 27 TRP HD1 . . 4.000 2.486 2.102 3.007 . 0 0 "[ . 1 . 2 .]" 1
337 2 7 DG H4' 2 7 DG H8 . 3.000 6.000 4.964 4.683 5.101 . 0 0 "[ . 1 . 2 .]" 1
338 2 7 DG H4' 3 27 TRP HD1 . . 5.500 5.204 4.574 5.586 0.086 16 0 "[ . 1 . 2 .]" 1
339 2 7 DG Q5' 3 27 TRP HD1 . . 6.500 3.895 3.220 5.135 . 0 0 "[ . 1 . 2 .]" 1
340 2 7 DG H8 2 8 DT H6 . 3.000 6.000 4.826 4.177 5.511 . 0 0 "[ . 1 . 2 .]" 1
341 2 7 DG H8 2 8 DT M7 . 2.500 5.000 2.941 2.367 3.546 0.133 3 0 "[ . 1 . 2 .]" 1
342 2 7 DG H8 3 27 TRP HD1 . . 6.500 4.919 3.696 6.263 . 0 0 "[ . 1 . 2 .]" 1
343 2 8 DT H1' 2 8 DT H6 . 2.500 5.000 3.733 3.698 3.762 . 0 0 "[ . 1 . 2 .]" 1
344 2 8 DT H1' 2 9 DC H3' . 3.000 6.000 5.627 5.186 5.961 . 0 0 "[ . 1 . 2 .]" 1
345 2 8 DT H1' 2 9 DC H4' . 2.500 5.000 4.235 3.731 4.945 . 0 0 "[ . 1 . 2 .]" 1
346 2 8 DT H1' 2 9 DC H5 . 2.500 5.000 4.934 4.750 5.048 0.048 24 0 "[ . 1 . 2 .]" 1
347 2 8 DT H1' 2 9 DC H6 . 2.300 4.000 3.911 3.588 4.054 0.054 11 0 "[ . 1 . 2 .]" 1
348 2 8 DT H1' 3 79 ALA MB . . 7.000 5.824 5.708 5.851 . 0 0 "[ . 1 . 2 .]" 1
349 2 8 DT H3' 2 8 DT H6 . 2.500 5.000 3.946 3.648 4.148 . 0 0 "[ . 1 . 2 .]" 1
350 2 8 DT H3' 2 9 DC H5 . 3.000 6.000 5.407 4.762 5.841 . 0 0 "[ . 1 . 2 .]" 1
351 2 8 DT H3' 2 9 DC H6 . 2.500 5.000 4.769 4.309 5.030 0.030 9 0 "[ . 1 . 2 .]" 1
352 2 8 DT H4' 2 8 DT H6 . 2.500 5.000 4.596 4.476 4.702 . 0 0 "[ . 1 . 2 .]" 1
353 2 8 DT H6 2 9 DC H5 . 2.500 5.000 4.134 3.455 4.586 . 0 0 "[ . 1 . 2 .]" 1
354 2 8 DT H6 2 9 DC H6 . 3.000 6.000 4.993 4.275 5.407 . 0 0 "[ . 1 . 2 .]" 1
355 2 8 DT H6 3 43 ARG HE . . 5.500 4.046 2.788 5.517 0.017 1 0 "[ . 1 . 2 .]" 1
356 2 8 DT H6 3 47 HIS HD2 . . 6.500 5.144 3.142 6.526 0.026 6 0 "[ . 1 . 2 .]" 1
357 2 8 DT M7 2 9 DC H5 . 3.000 5.500 3.901 3.087 4.632 . 0 0 "[ . 1 . 2 .]" 1
358 2 8 DT M7 3 27 TRP HD1 . . 7.000 4.447 2.985 5.617 . 0 0 "[ . 1 . 2 .]" 1
359 2 8 DT M7 3 40 LYS HA . . 7.000 3.256 2.082 4.708 . 0 0 "[ . 1 . 2 .]" 1
360 2 8 DT M7 3 40 LYS QE . . 7.000 4.236 2.468 5.203 . 0 0 "[ . 1 . 2 .]" 1
361 2 8 DT M7 3 43 ARG QD . . 8.000 2.425 1.854 3.817 . 0 0 "[ . 1 . 2 .]" 1
362 2 8 DT M7 3 47 HIS HD2 . . 7.000 4.849 3.039 5.834 . 0 0 "[ . 1 . 2 .]" 1
363 2 9 DC H1' 2 9 DC H5 . 3.000 6.000 5.421 5.358 5.460 . 0 0 "[ . 1 . 2 .]" 1
364 2 9 DC H1' 2 9 DC H6 . 2.500 5.000 3.727 3.704 3.748 . 0 0 "[ . 1 . 2 .]" 1
365 2 9 DC H1' 2 10 DA H3' . 3.000 6.000 5.981 5.708 6.090 0.090 9 0 "[ . 1 . 2 .]" 1
366 2 9 DC H1' 2 10 DA H8 . 2.500 5.000 3.976 3.611 4.344 . 0 0 "[ . 1 . 2 .]" 1
367 2 9 DC H1' 3 79 ALA MB . . 7.000 5.068 4.617 5.587 . 0 0 "[ . 1 . 2 .]" 1
368 2 9 DC H3' 2 9 DC H6 . 2.500 5.000 3.927 3.534 4.265 . 0 0 "[ . 1 . 2 .]" 1
369 2 9 DC H3' 2 10 DA H8 . 2.500 5.000 4.568 4.208 5.004 0.004 12 0 "[ . 1 . 2 .]" 1
370 2 9 DC H3' 3 79 ALA H . . 4.500 3.516 3.127 4.232 . 0 0 "[ . 1 . 2 .]" 1
371 2 9 DC H3' 3 79 ALA HA . . 5.500 3.526 2.664 4.470 . 0 0 "[ . 1 . 2 .]" 1
372 2 9 DC H3' 3 79 ALA MB . . 5.500 2.134 1.870 2.340 . 0 0 "[ . 1 . 2 .]" 1
373 2 9 DC H3' 3 80 GLU H . . 6.500 5.558 4.707 6.281 . 0 0 "[ . 1 . 2 .]" 1
374 2 9 DC H4' 2 9 DC H6 . 2.500 5.000 4.573 4.499 4.729 . 0 0 "[ . 1 . 2 .]" 1
375 2 9 DC Q5' 3 79 ALA MB . . 7.000 2.215 1.982 3.116 . 0 0 "[ . 1 . 2 .]" 1
376 2 9 DC H6 2 10 DA H8 . 2.500 5.000 4.425 4.006 5.018 0.018 20 0 "[ . 1 . 2 .]" 1
377 2 9 DC H6 3 79 ALA MB . . 7.000 5.179 3.704 5.758 . 0 0 "[ . 1 . 2 .]" 1
378 2 10 DA H1' 2 10 DA H8 . 2.500 5.000 3.923 3.898 3.932 . 0 0 "[ . 1 . 2 .]" 1
379 2 10 DA H1' 2 11 DG H3' . 3.000 6.000 5.552 5.218 5.846 . 0 0 "[ . 1 . 2 .]" 1
380 2 10 DA H1' 2 11 DG H8 . 2.300 4.000 3.596 3.103 3.889 . 0 0 "[ . 1 . 2 .]" 1
381 2 10 DA H1' 3 78 TRP HD1 . . 6.500 5.550 5.270 6.003 . 0 0 "[ . 1 . 2 .]" 1
382 2 10 DA H2 2 11 DG H1' . 2.500 5.000 4.002 3.397 4.498 . 0 0 "[ . 1 . 2 .]" 1
383 2 10 DA H3' 2 10 DA H8 . 2.500 5.000 4.177 3.911 4.422 . 0 0 "[ . 1 . 2 .]" 1
384 2 10 DA H3' 2 11 DG H8 . 2.500 5.000 4.882 4.601 5.147 0.147 23 0 "[ . 1 . 2 .]" 1
385 2 10 DA H3' 3 76 ASN HA . . 5.500 4.593 3.586 5.236 . 0 0 "[ . 1 . 2 .]" 1
386 2 10 DA H3' 3 76 ASN QB . . 5.500 3.366 2.581 4.866 . 0 0 "[ . 1 . 2 .]" 1
387 2 10 DA H3' 3 77 ARG HA . . 5.500 4.764 4.202 5.394 . 0 0 "[ . 1 . 2 .]" 1
388 2 10 DA H3' 3 78 TRP H . . 5.500 4.230 3.944 4.587 . 0 0 "[ . 1 . 2 .]" 1
389 2 10 DA H3' 3 78 TRP HD1 . . 4.000 2.672 2.326 3.133 . 0 0 "[ . 1 . 2 .]" 1
390 2 10 DA H3' 3 78 TRP HE1 . . 4.500 2.824 2.006 3.688 . 0 0 "[ . 1 . 2 .]" 1
391 2 10 DA H4' 2 10 DA H8 . 3.000 6.000 5.000 4.901 5.105 . 0 0 "[ . 1 . 2 .]" 1
392 2 10 DA Q5' 3 78 TRP HD1 . . 6.500 4.101 3.581 4.906 . 0 0 "[ . 1 . 2 .]" 1
393 2 10 DA H8 2 11 DG H8 . 3.000 6.000 4.529 3.931 4.913 . 0 0 "[ . 1 . 2 .]" 1
394 2 10 DA H8 3 78 TRP HB2 . . 5.500 4.633 4.096 5.304 . 0 0 "[ . 1 . 2 .]" 1
395 2 10 DA H8 3 78 TRP HD1 . . 4.500 3.784 3.060 4.510 0.010 6 0 "[ . 1 . 2 .]" 1
396 2 11 DG H1' 2 11 DG H8 . 2.500 5.000 3.916 3.892 3.939 . 0 0 "[ . 1 . 2 .]" 1
397 2 11 DG H1' 2 12 DT H1' . 3.000 6.000 5.082 4.378 5.929 . 0 0 "[ . 1 . 2 .]" 1
398 2 11 DG H1' 2 12 DT H3' . 3.000 6.000 5.655 5.362 6.020 0.020 6 0 "[ . 1 . 2 .]" 1
399 2 11 DG H1' 2 12 DT H6 . 2.300 4.000 3.908 3.667 4.065 0.065 22 0 "[ . 1 . 2 .]" 1
400 2 11 DG H1' 2 12 DT M7 . 3.000 7.000 4.090 3.791 4.394 . 0 0 "[ . 1 . 2 .]" 1
401 2 11 DG H3' 2 11 DG H8 . 3.000 5.000 4.220 3.953 4.529 . 0 0 "[ . 1 . 2 .]" 1
402 2 11 DG H3' 2 12 DT H6 . 3.000 6.000 4.938 4.701 5.256 . 0 0 "[ . 1 . 2 .]" 1
403 2 11 DG H3' 2 12 DT M7 . 3.000 7.000 4.214 3.760 4.664 . 0 0 "[ . 1 . 2 .]" 1
404 2 11 DG H8 2 12 DT H6 . 3.000 6.000 5.168 4.599 5.653 . 0 0 "[ . 1 . 2 .]" 1
405 2 11 DG H8 2 12 DT M7 . 2.500 5.000 3.091 2.556 3.874 . 0 0 "[ . 1 . 2 .]" 1
406 2 11 DG H8 3 78 TRP HD1 . . 5.500 5.321 4.452 5.558 0.058 18 0 "[ . 1 . 2 .]" 1
407 2 11 DG H8 3 78 TRP HE1 . . 5.500 4.626 3.726 5.402 . 0 0 "[ . 1 . 2 .]" 1
408 2 11 DG H8 3 94 LYS QE . . 5.500 3.405 1.957 4.927 . 0 0 "[ . 1 . 2 .]" 1
409 2 12 DT H1' 2 12 DT H6 . 2.500 5.000 3.738 3.718 3.756 . 0 0 "[ . 1 . 2 .]" 1
410 2 12 DT H1' 2 13 DT H1' . 3.000 6.000 4.504 4.217 4.796 . 0 0 "[ . 1 . 2 .]" 1
411 2 12 DT H1' 2 13 DT H4' . 2.500 5.000 4.219 4.019 4.480 . 0 0 "[ . 1 . 2 .]" 1
412 2 12 DT H1' 2 13 DT H6 . 2.300 4.000 3.984 3.764 4.184 0.184 23 0 "[ . 1 . 2 .]" 1
413 2 12 DT H1' 2 13 DT M7 . 3.000 7.000 4.359 4.088 4.708 . 0 0 "[ . 1 . 2 .]" 1
414 2 12 DT H3' 2 12 DT H6 . 2.500 5.000 3.756 3.317 4.009 . 0 0 "[ . 1 . 2 .]" 1
415 2 12 DT H3' 2 13 DT H6 . 3.000 6.000 4.686 4.385 5.036 . 0 0 "[ . 1 . 2 .]" 1
416 2 12 DT H3' 2 13 DT M7 . 3.000 7.000 3.974 3.579 4.478 . 0 0 "[ . 1 . 2 .]" 1
417 2 12 DT H4' 2 12 DT H6 . 2.500 5.000 4.571 4.455 4.709 . 0 0 "[ . 1 . 2 .]" 1
418 2 12 DT H6 2 13 DT M7 . 2.500 5.000 3.283 2.788 3.802 . 0 0 "[ . 1 . 2 .]" 1
419 2 13 DT H1' 2 13 DT H6 . 2.500 5.000 3.740 3.714 3.755 . 0 0 "[ . 1 . 2 .]" 1
420 2 13 DT H1' 2 14 DA H1' . 3.000 6.000 5.367 4.900 5.772 . 0 0 "[ . 1 . 2 .]" 1
421 2 13 DT H1' 2 14 DA H3' . 3.000 6.000 5.810 5.494 6.047 0.047 6 0 "[ . 1 . 2 .]" 1
422 2 13 DT H1' 2 14 DA H8 . 2.300 4.000 3.875 3.683 4.045 0.045 22 0 "[ . 1 . 2 .]" 1
423 2 13 DT H3' 2 13 DT H6 . 2.500 5.000 3.896 3.488 4.104 . 0 0 "[ . 1 . 2 .]" 1
424 2 13 DT H3' 2 14 DA H8 . 2.500 5.000 4.738 4.319 5.020 0.020 11 0 "[ . 1 . 2 .]" 1
425 2 13 DT H4' 2 13 DT H6 . 2.500 5.000 4.653 4.516 4.727 . 0 0 "[ . 1 . 2 .]" 1
426 2 13 DT H6 2 14 DA H8 . 2.500 5.000 4.448 3.920 5.016 0.016 6 0 "[ . 1 . 2 .]" 1
427 2 14 DA H1' 2 14 DA H8 . 2.300 4.000 3.914 3.888 3.930 . 0 0 "[ . 1 . 2 .]" 1
428 2 14 DA H1' 2 15 DG H8 . 2.300 4.000 3.985 3.749 4.155 0.155 7 0 "[ . 1 . 2 .]" 1
429 2 14 DA H3' 2 14 DA H8 . 2.500 5.000 4.240 4.000 4.557 . 0 0 "[ . 1 . 2 .]" 1
430 2 14 DA H3' 2 15 DG H8 . 2.500 5.000 4.782 4.397 5.031 0.031 9 0 "[ . 1 . 2 .]" 1
431 2 14 DA H4' 2 14 DA H8 . 3.000 6.000 4.896 4.832 4.989 . 0 0 "[ . 1 . 2 .]" 1
432 2 14 DA H8 2 15 DG H8 . 3.000 6.000 4.982 4.293 5.514 . 0 0 "[ . 1 . 2 .]" 1
433 2 15 DG H1' 2 15 DG H8 . 2.300 4.000 3.915 3.909 3.919 . 0 0 "[ . 1 . 2 .]" 1
434 2 15 DG H1' 2 16 DG H1' . 2.500 5.000 4.931 4.655 5.073 0.073 13 0 "[ . 1 . 2 .]" 1
435 2 15 DG H1' 2 16 DG H4' . 2.500 5.000 4.523 4.329 4.731 . 0 0 "[ . 1 . 2 .]" 1
436 2 15 DG H1' 2 16 DG H8 . 2.300 4.000 3.698 3.584 3.885 . 0 0 "[ . 1 . 2 .]" 1
437 2 15 DG H3' 2 15 DG H8 . 2.500 5.000 4.283 4.198 4.372 . 0 0 "[ . 1 . 2 .]" 1
438 2 15 DG H3' 2 16 DG H8 . 2.500 5.000 4.967 4.777 5.087 0.087 23 0 "[ . 1 . 2 .]" 1
439 2 15 DG H4' 2 15 DG H8 . 3.000 6.000 5.006 4.911 5.084 . 0 0 "[ . 1 . 2 .]" 1
440 2 16 DG H1' 2 16 DG H8 . 2.300 4.000 3.917 3.908 3.924 . 0 0 "[ . 1 . 2 .]" 1
441 2 16 DG H3' 2 16 DG H8 . 2.500 5.000 4.193 4.043 4.314 . 0 0 "[ . 1 . 2 .]" 1
442 2 16 DG H4' 2 16 DG H8 . 3.000 6.000 4.931 4.897 4.960 . 0 0 "[ . 1 . 2 .]" 1
443 3 2 LEU H 3 3 ILE H . . 5.000 3.906 2.540 4.682 . 0 0 "[ . 1 . 2 .]" 1
444 3 2 LEU HA 3 3 ILE H . . 3.000 2.459 2.189 3.111 0.111 6 0 "[ . 1 . 2 .]" 1
445 3 2 LEU QB 3 3 ILE H . . 5.000 3.599 2.195 4.072 . 0 0 "[ . 1 . 2 .]" 1
446 3 2 LEU MD1 3 3 ILE H . . 7.000 4.489 2.192 5.654 . 0 0 "[ . 1 . 2 .]" 1
447 3 2 LEU MD2 3 3 ILE H . . 7.000 4.303 2.512 5.644 . 0 0 "[ . 1 . 2 .]" 1
448 3 3 ILE H 3 4 LYS H . . 4.000 3.471 1.880 4.146 0.146 1 0 "[ . 1 . 2 .]" 1
449 3 3 ILE HA 3 4 LYS H . . 3.000 2.550 2.122 3.240 0.240 20 0 "[ . 1 . 2 .]" 1
450 3 3 ILE HB 3 4 LYS H . . 4.500 4.313 1.764 4.603 0.103 5 0 "[ . 1 . 2 .]" 1
451 3 3 ILE MD 3 4 LYS H . . 7.000 4.962 2.960 5.668 . 0 0 "[ . 1 . 2 .]" 1
452 3 3 ILE MD 3 36 GLY H . . 7.000 5.102 3.294 6.463 . 0 0 "[ . 1 . 2 .]" 1
453 3 3 ILE MD 3 37 ARG H . . 7.000 4.929 3.246 6.465 . 0 0 "[ . 1 . 2 .]" 1
454 3 3 ILE QG 3 4 LYS H . . 5.500 3.974 2.397 4.899 . 0 0 "[ . 1 . 2 .]" 1
455 3 3 ILE MG 3 4 LYS H . . 6.000 3.842 2.992 4.373 . 0 0 "[ . 1 . 2 .]" 1
456 3 3 ILE MG 3 5 GLY H . . 7.000 4.897 2.683 5.841 . 0 0 "[ . 1 . 2 .]" 1
457 3 4 LYS H 3 5 GLY H . . 6.000 3.323 1.609 4.657 . 0 0 "[ . 1 . 2 .]" 1
458 3 4 LYS HA 3 5 GLY H . . 4.000 2.867 2.130 3.616 . 0 0 "[ . 1 . 2 .]" 1
459 3 4 LYS QB 3 5 GLY H . . 5.500 3.243 1.829 4.070 . 0 0 "[ . 1 . 2 .]" 1
460 3 6 PRO HA 3 7 TRP H . . 5.000 2.472 2.203 3.544 . 0 0 "[ . 1 . 2 .]" 1
461 3 6 PRO HA 3 7 TRP HD1 . . 4.500 3.803 2.838 4.608 0.108 4 0 "[ . 1 . 2 .]" 1
462 3 6 PRO HB2 3 7 TRP H . . 5.500 3.360 2.025 4.443 . 0 0 "[ . 1 . 2 .]" 1
463 3 6 PRO HB2 3 7 TRP HD1 . . 6.500 5.752 4.781 6.476 . 0 0 "[ . 1 . 2 .]" 1
464 3 6 PRO HB3 3 7 TRP H . . 5.500 3.537 3.009 4.745 . 0 0 "[ . 1 . 2 .]" 1
465 3 6 PRO HB3 3 7 TRP HD1 . . 6.500 5.803 4.678 6.561 0.061 1 0 "[ . 1 . 2 .]" 1
466 3 7 TRP H 3 7 TRP HD1 . . 4.000 3.011 2.390 4.300 0.300 2 0 "[ . 1 . 2 .]" 1
467 3 7 TRP H 3 8 THR H . . 5.000 4.398 3.250 4.751 . 0 0 "[ . 1 . 2 .]" 1
468 3 7 TRP HA 3 8 THR H . . 3.000 2.504 2.123 3.007 0.007 14 0 "[ . 1 . 2 .]" 1
469 3 7 TRP HB2 3 8 THR H . . 5.500 3.910 3.349 4.714 . 0 0 "[ . 1 . 2 .]" 1
470 3 7 TRP HB3 3 8 THR H . . 5.500 2.685 1.822 4.165 . 0 0 "[ . 1 . 2 .]" 1
471 3 7 TRP HD1 3 45 ARG HG2 . . 6.500 5.991 4.210 6.607 0.107 4 0 "[ . 1 . 2 .]" 1
472 3 7 TRP HE1 3 37 ARG HA . . 4.500 4.436 3.914 4.629 0.129 4 0 "[ . 1 . 2 .]" 1
473 3 7 TRP HE1 3 41 GLN HB2 . . 5.500 3.391 2.081 4.630 . 0 0 "[ . 1 . 2 .]" 1
474 3 7 TRP HE1 3 41 GLN HB3 . . 5.500 2.167 1.817 4.371 . 0 0 "[ . 1 . 2 .]" 1
475 3 7 TRP HE1 3 45 ARG HB2 . . 5.500 4.226 3.441 4.951 . 0 0 "[ . 1 . 2 .]" 1
476 3 7 TRP HE3 3 8 THR H . . 6.500 3.843 2.935 5.194 . 0 0 "[ . 1 . 2 .]" 1
477 3 7 TRP HE3 3 8 THR MG . . 8.000 4.474 4.065 4.678 . 0 0 "[ . 1 . 2 .]" 1
478 3 7 TRP HE3 3 11 GLU HA . . 4.500 4.540 3.409 4.693 0.193 25 0 "[ . 1 . 2 .]" 1
479 3 7 TRP HE3 3 11 GLU HB2 . . 4.500 2.793 2.048 4.562 0.062 15 0 "[ . 1 . 2 .]" 1
480 3 7 TRP HE3 3 11 GLU HB3 . . 4.500 2.574 1.947 3.166 . 0 0 "[ . 1 . 2 .]" 1
481 3 7 TRP HE3 3 11 GLU QG . . 6.500 4.144 2.811 4.680 . 0 0 "[ . 1 . 2 .]" 1
482 3 7 TRP HE3 3 12 ASP HA . . 4.000 3.421 2.751 4.017 0.017 2 0 "[ . 1 . 2 .]" 1
483 3 7 TRP HE3 3 15 VAL HB . . 5.500 4.979 4.478 5.501 0.001 10 0 "[ . 1 . 2 .]" 1
484 3 7 TRP HE3 3 15 VAL MG1 . . 6.000 4.911 3.456 5.875 . 0 0 "[ . 1 . 2 .]" 1
485 3 7 TRP HE3 3 15 VAL MG2 . . 7.000 4.794 3.946 5.068 . 0 0 "[ . 1 . 2 .]" 1
486 3 7 TRP HE3 3 45 ARG HE . . 4.500 3.039 1.864 3.899 . 0 0 "[ . 1 . 2 .]" 1
487 3 7 TRP HE3 3 50 LEU MD1 . . 8.000 4.881 3.596 5.843 . 0 0 "[ . 1 . 2 .]" 1
488 3 7 TRP HE3 3 50 LEU MD2 . . 8.000 5.458 3.624 5.863 . 0 0 "[ . 1 . 2 .]" 1
489 3 7 TRP HH2 3 15 VAL MG1 . . 5.500 3.693 3.294 4.142 . 0 0 "[ . 1 . 2 .]" 1
490 3 7 TRP HH2 3 15 VAL MG2 . . 7.000 2.196 1.949 2.651 . 0 0 "[ . 1 . 2 .]" 1
491 3 7 TRP HH2 3 34 LEU QB . . 6.500 4.249 3.346 4.666 . 0 0 "[ . 1 . 2 .]" 1
492 3 7 TRP HH2 3 34 LEU MD1 . . 7.000 2.893 2.020 4.652 . 0 0 "[ . 1 . 2 .]" 1
493 3 7 TRP HH2 3 34 LEU MD2 . . 7.000 3.428 2.136 4.768 . 0 0 "[ . 1 . 2 .]" 1
494 3 7 TRP HH2 3 34 LEU HG . . 6.500 5.154 4.602 6.186 . 0 0 "[ . 1 . 2 .]" 1
495 3 7 TRP HH2 3 37 ARG HB2 . . 5.500 4.500 3.691 5.517 0.017 18 0 "[ . 1 . 2 .]" 1
496 3 7 TRP HH2 3 37 ARG HB3 . . 6.500 4.403 3.479 5.950 . 0 0 "[ . 1 . 2 .]" 1
497 3 7 TRP HH2 3 37 ARG QG . . 6.500 4.163 3.243 5.756 . 0 0 "[ . 1 . 2 .]" 1
498 3 7 TRP HH2 3 41 GLN QB . . 6.500 5.119 4.568 5.797 . 0 0 "[ . 1 . 2 .]" 1
499 3 7 TRP HH2 3 42 CYS H . . 5.500 4.793 4.460 5.166 . 0 0 "[ . 1 . 2 .]" 1
500 3 7 TRP HH2 3 42 CYS HA . . 4.000 2.583 2.138 3.183 . 0 0 "[ . 1 . 2 .]" 1
501 3 7 TRP HH2 3 42 CYS HB2 . . 6.500 4.110 2.679 4.917 . 0 0 "[ . 1 . 2 .]" 1
502 3 7 TRP HH2 3 42 CYS HB3 . . 4.500 3.195 2.337 3.791 . 0 0 "[ . 1 . 2 .]" 1
503 3 7 TRP HH2 3 45 ARG HB2 . . 5.500 4.632 3.839 5.560 0.060 4 0 "[ . 1 . 2 .]" 1
504 3 7 TRP HZ2 3 15 VAL MG1 . . 7.000 5.516 4.973 5.854 . 0 0 "[ . 1 . 2 .]" 1
505 3 7 TRP HZ2 3 15 VAL MG2 . . 7.000 4.186 3.865 4.634 . 0 0 "[ . 1 . 2 .]" 1
506 3 7 TRP HZ2 3 34 LEU QB . . 6.500 4.497 3.607 5.170 . 0 0 "[ . 1 . 2 .]" 1
507 3 7 TRP HZ2 3 37 ARG HB2 . . 5.500 3.413 2.164 4.710 . 0 0 "[ . 1 . 2 .]" 1
508 3 7 TRP HZ2 3 41 GLN QB . . 6.500 2.977 2.399 3.823 . 0 0 "[ . 1 . 2 .]" 1
509 3 7 TRP HZ2 3 42 CYS H . . 4.000 3.287 2.985 3.829 . 0 0 "[ . 1 . 2 .]" 1
510 3 7 TRP HZ2 3 42 CYS HA . . 4.500 2.308 2.006 3.237 . 0 0 "[ . 1 . 2 .]" 1
511 3 7 TRP HZ2 3 42 CYS HB3 . . 5.500 3.619 2.175 4.540 . 0 0 "[ . 1 . 2 .]" 1
512 3 7 TRP HZ2 3 45 ARG HB2 . . 5.500 4.165 3.392 5.059 . 0 0 "[ . 1 . 2 .]" 1
513 3 7 TRP HZ2 3 45 ARG HB3 . . 5.500 4.528 3.698 5.501 0.001 8 0 "[ . 1 . 2 .]" 1
514 3 7 TRP HZ3 3 8 THR MG . . 7.000 5.870 5.842 5.916 . 0 0 "[ . 1 . 2 .]" 1
515 3 7 TRP HZ3 3 11 GLU H . . 5.500 5.302 4.681 5.572 0.072 21 0 "[ . 1 . 2 .]" 1
516 3 7 TRP HZ3 3 11 GLU HA . . 5.500 4.077 3.135 4.450 . 0 0 "[ . 1 . 2 .]" 1
517 3 7 TRP HZ3 3 11 GLU HB2 . . 5.500 3.972 3.130 5.511 0.011 15 0 "[ . 1 . 2 .]" 1
518 3 7 TRP HZ3 3 11 GLU HB3 . . 4.500 2.876 2.267 4.320 . 0 0 "[ . 1 . 2 .]" 1
519 3 7 TRP HZ3 3 11 GLU QG . . 6.500 4.423 2.306 5.015 . 0 0 "[ . 1 . 2 .]" 1
520 3 7 TRP HZ3 3 12 ASP HA . . 4.500 3.155 2.120 3.922 . 0 0 "[ . 1 . 2 .]" 1
521 3 7 TRP HZ3 3 14 ARG QB . . 6.500 4.738 4.103 5.530 . 0 0 "[ . 1 . 2 .]" 1
522 3 7 TRP HZ3 3 15 VAL H . . 6.500 3.810 3.431 4.301 . 0 0 "[ . 1 . 2 .]" 1
523 3 7 TRP HZ3 3 15 VAL MG1 . . 5.500 3.194 2.101 4.284 . 0 0 "[ . 1 . 2 .]" 1
524 3 7 TRP HZ3 3 15 VAL MG2 . . 6.000 2.772 1.942 3.330 . 0 0 "[ . 1 . 2 .]" 1
525 3 7 TRP HZ3 3 34 LEU QB . . 6.500 5.628 4.836 5.828 . 0 0 "[ . 1 . 2 .]" 1
526 3 7 TRP HZ3 3 34 LEU MD1 . . 7.000 3.878 2.878 5.307 . 0 0 "[ . 1 . 2 .]" 1
527 3 7 TRP HZ3 3 34 LEU MD2 . . 7.000 3.981 2.968 4.988 . 0 0 "[ . 1 . 2 .]" 1
528 3 7 TRP HZ3 3 42 CYS HA . . 4.500 4.442 4.104 4.630 0.130 15 0 "[ . 1 . 2 .]" 1
529 3 7 TRP HZ3 3 42 CYS HB3 . . 5.500 5.427 4.814 5.621 0.121 18 0 "[ . 1 . 2 .]" 1
530 3 7 TRP HZ3 3 45 ARG HE . . 5.500 4.114 2.182 5.054 . 0 0 "[ . 1 . 2 .]" 1
531 3 7 TRP HZ3 3 50 LEU MD1 . . 6.000 4.860 3.186 5.154 . 0 0 "[ . 1 . 2 .]" 1
532 3 7 TRP HZ3 3 50 LEU MD2 . . 6.000 4.978 3.223 5.114 . 0 0 "[ . 1 . 2 .]" 1
533 3 8 THR H 3 11 GLU H . . 5.000 4.201 3.327 5.023 0.023 1 0 "[ . 1 . 2 .]" 1
534 3 8 THR H 3 11 GLU HB2 . . 5.500 2.938 1.985 3.963 . 0 0 "[ . 1 . 2 .]" 1
535 3 8 THR H 3 11 GLU HB3 . . 5.500 4.031 2.425 5.470 . 0 0 "[ . 1 . 2 .]" 1
536 3 8 THR H 3 11 GLU QG . . 6.500 3.699 2.427 5.043 . 0 0 "[ . 1 . 2 .]" 1
537 3 8 THR MG 3 9 LYS H . . 7.000 3.203 1.868 3.961 . 0 0 "[ . 1 . 2 .]" 1
538 3 8 THR MG 3 10 GLU H . . 7.000 3.191 1.847 5.848 . 0 0 "[ . 1 . 2 .]" 1
539 3 8 THR MG 3 11 GLU H . . 8.000 3.068 1.779 5.324 . 0 0 "[ . 1 . 2 .]" 1
540 3 9 LYS H 3 10 GLU H . . 4.000 3.131 2.525 4.382 0.382 14 0 "[ . 1 . 2 .]" 1
541 3 9 LYS H 3 10 GLU HB3 . . 6.500 5.699 4.604 6.538 0.038 2 0 "[ . 1 . 2 .]" 1
542 3 9 LYS H 3 10 GLU QG . . 7.500 4.910 3.629 6.702 . 0 0 "[ . 1 . 2 .]" 1
543 3 9 LYS H 3 11 GLU H . . 5.000 4.275 3.026 5.026 0.026 11 0 "[ . 1 . 2 .]" 1
544 3 9 LYS HA 3 10 GLU H . . 5.000 2.968 2.016 3.589 . 0 0 "[ . 1 . 2 .]" 1
545 3 9 LYS HA 3 11 GLU H . . 5.000 3.733 2.651 4.930 . 0 0 "[ . 1 . 2 .]" 1
546 3 9 LYS HA 3 12 ASP H . . 4.000 3.537 2.955 4.244 0.244 1 0 "[ . 1 . 2 .]" 1
547 3 9 LYS HA 3 13 GLN H . . 5.000 4.395 3.434 5.147 0.147 9 0 "[ . 1 . 2 .]" 1
548 3 9 LYS QB 3 13 GLN QE . . 6.500 3.865 2.700 4.502 . 0 0 "[ . 1 . 2 .]" 1
549 3 9 LYS HB2 3 10 GLU H . . 4.500 4.052 2.710 4.531 0.031 20 0 "[ . 1 . 2 .]" 1
550 3 9 LYS HB3 3 10 GLU H . . 4.000 3.417 1.950 4.251 0.251 6 0 "[ . 1 . 2 .]" 1
551 3 9 LYS HB3 3 13 GLN H . . 6.500 6.132 4.566 6.556 0.056 24 0 "[ . 1 . 2 .]" 1
552 3 9 LYS QG 3 10 GLU H . . 5.000 4.039 2.341 4.510 . 0 0 "[ . 1 . 2 .]" 1
553 3 9 LYS QG 3 13 GLN H . . 6.500 5.178 3.985 5.823 . 0 0 "[ . 1 . 2 .]" 1
554 3 10 GLU H 3 11 GLU H . . 3.000 2.459 1.846 3.161 0.161 21 0 "[ . 1 . 2 .]" 1
555 3 10 GLU H 3 12 ASP HB3 . . 6.500 5.237 3.138 6.528 0.028 19 0 "[ . 1 . 2 .]" 1
556 3 10 GLU H 3 13 GLN H . . 5.000 4.593 3.123 5.159 0.159 21 0 "[ . 1 . 2 .]" 1
557 3 10 GLU HA 3 11 GLU H . . 4.000 3.170 2.654 3.629 . 0 0 "[ . 1 . 2 .]" 1
558 3 10 GLU HA 3 12 ASP H . . 5.000 4.449 3.596 5.144 0.144 4 0 "[ . 1 . 2 .]" 1
559 3 10 GLU HA 3 13 GLN H . . 4.000 3.937 3.366 4.344 0.344 2 0 "[ . 1 . 2 .]" 1
560 3 10 GLU HA 3 14 ARG H . . 5.000 4.825 4.130 5.091 0.091 8 0 "[ . 1 . 2 .]" 1
561 3 10 GLU HB2 3 11 GLU H . . 4.500 3.888 2.052 4.609 0.109 4 0 "[ . 1 . 2 .]" 1
562 3 10 GLU HB3 3 11 GLU H . . 4.500 3.898 2.312 4.573 0.073 25 0 "[ . 1 . 2 .]" 1
563 3 11 GLU H 3 12 ASP H . . 3.000 2.231 1.672 2.832 . 0 0 "[ . 1 . 2 .]" 1
564 3 11 GLU HA 3 12 ASP H . . 4.000 3.511 2.330 3.629 . 0 0 "[ . 1 . 2 .]" 1
565 3 11 GLU HA 3 14 ARG H . . 4.000 3.459 2.830 4.061 0.061 1 0 "[ . 1 . 2 .]" 1
566 3 11 GLU HB2 3 12 ASP H . . 4.500 2.824 2.086 4.510 0.010 15 0 "[ . 1 . 2 .]" 1
567 3 11 GLU HB3 3 12 ASP H . . 4.500 3.518 2.126 4.267 . 0 0 "[ . 1 . 2 .]" 1
568 3 11 GLU QG 3 12 ASP H . . 5.500 4.095 3.736 4.460 . 0 0 "[ . 1 . 2 .]" 1
569 3 12 ASP H 3 13 GLN H . . 3.000 2.801 1.731 3.159 0.159 19 0 "[ . 1 . 2 .]" 1
570 3 12 ASP H 3 14 ARG H . . 5.000 3.895 2.106 4.223 . 0 0 "[ . 1 . 2 .]" 1
571 3 12 ASP H 3 45 ARG HG2 . . 6.500 6.080 4.564 6.692 0.192 4 0 "[ . 1 . 2 .]" 1
572 3 12 ASP H 3 50 LEU MD1 . . 8.000 5.318 4.328 6.088 . 0 0 "[ . 1 . 2 .]" 1
573 3 12 ASP H 3 50 LEU MD2 . . 8.000 5.493 4.121 6.416 . 0 0 "[ . 1 . 2 .]" 1
574 3 12 ASP HA 3 13 GLN H . . 5.000 3.584 3.377 3.681 . 0 0 "[ . 1 . 2 .]" 1
575 3 12 ASP HA 3 14 ARG H . . 6.000 4.000 3.553 4.652 . 0 0 "[ . 1 . 2 .]" 1
576 3 12 ASP HB2 3 13 GLN H . . 4.000 3.457 2.530 4.123 0.123 14 0 "[ . 1 . 2 .]" 1
577 3 12 ASP HB2 3 13 GLN QE . . 4.500 2.944 1.676 4.102 . 0 0 "[ . 1 . 2 .]" 1
578 3 12 ASP HB2 3 14 ARG H . . 5.500 5.176 4.649 5.548 0.048 17 0 "[ . 1 . 2 .]" 1
579 3 12 ASP HB3 3 13 GLN H . . 4.000 2.960 1.892 4.247 0.247 23 0 "[ . 1 . 2 .]" 1
580 3 13 GLN H 3 14 ARG H . . 3.000 2.469 1.800 2.849 . 0 0 "[ . 1 . 2 .]" 1
581 3 13 GLN H 3 14 ARG QG . . 7.500 3.471 2.773 5.680 . 0 0 "[ . 1 . 2 .]" 1
582 3 13 GLN H 3 15 VAL H . . 5.000 4.217 3.707 4.835 . 0 0 "[ . 1 . 2 .]" 1
583 3 13 GLN H 3 16 ILE HB . . 4.500 4.573 4.305 4.725 0.225 1 0 "[ . 1 . 2 .]" 1
584 3 13 GLN H 3 16 ILE MD . . 6.000 5.047 4.295 5.358 . 0 0 "[ . 1 . 2 .]" 1
585 3 13 GLN H 3 16 ILE MG . . 8.000 4.428 3.996 4.896 . 0 0 "[ . 1 . 2 .]" 1
586 3 13 GLN H 3 50 LEU QD . . 10.400 4.878 4.104 5.916 . 0 0 "[ . 1 . 2 .]" 1
587 3 13 GLN HA 3 14 ARG H . . 4.000 3.241 2.910 3.558 . 0 0 "[ . 1 . 2 .]" 1
588 3 13 GLN HA 3 16 ILE H . . 5.000 3.228 2.177 4.785 . 0 0 "[ . 1 . 2 .]" 1
589 3 13 GLN HA 3 17 LYS H . . 5.000 4.473 3.576 5.024 0.024 15 0 "[ . 1 . 2 .]" 1
590 3 13 GLN HB2 3 14 ARG H . . 4.500 4.011 2.837 4.592 0.092 20 0 "[ . 1 . 2 .]" 1
591 3 13 GLN HB3 3 14 ARG H . . 4.500 4.319 3.768 4.578 0.078 16 0 "[ . 1 . 2 .]" 1
592 3 13 GLN QE 3 14 ARG QD . . 6.500 4.880 4.315 5.522 . 0 0 "[ . 1 . 2 .]" 1
593 3 13 GLN QE 3 14 ARG QG . . 5.500 3.932 2.977 4.429 . 0 0 "[ . 1 . 2 .]" 1
594 3 13 GLN QE 3 16 ILE HB . . 5.500 5.019 3.937 5.328 . 0 0 "[ . 1 . 2 .]" 1
595 3 13 GLN QE 3 16 ILE MD . . 8.000 4.807 3.892 5.685 . 0 0 "[ . 1 . 2 .]" 1
596 3 13 GLN QE 3 16 ILE MG . . 6.000 4.602 3.514 4.773 . 0 0 "[ . 1 . 2 .]" 1
597 3 13 GLN QE 3 45 ARG HE . . 5.500 5.147 4.047 5.404 . 0 0 "[ . 1 . 2 .]" 1
598 3 13 GLN QG 3 14 ARG H . . 6.500 4.161 2.621 4.906 . 0 0 "[ . 1 . 2 .]" 1
599 3 14 ARG H 3 15 VAL H . . 3.000 2.175 1.779 2.701 . 0 0 "[ . 1 . 2 .]" 1
600 3 14 ARG H 3 34 LEU MD1 . . 8.000 5.304 4.340 6.087 . 0 0 "[ . 1 . 2 .]" 1
601 3 14 ARG H 3 34 LEU MD2 . . 7.000 4.963 4.027 5.845 . 0 0 "[ . 1 . 2 .]" 1
602 3 14 ARG HA 3 15 VAL H . . 4.000 3.567 3.411 3.628 . 0 0 "[ . 1 . 2 .]" 1
603 3 14 ARG HA 3 17 LYS H . . 4.000 3.661 2.887 4.099 0.099 22 0 "[ . 1 . 2 .]" 1
604 3 14 ARG HA 3 18 LEU H . . 5.000 4.677 4.183 5.027 0.027 16 0 "[ . 1 . 2 .]" 1
605 3 14 ARG QB 3 15 VAL H . . 5.500 2.489 2.032 3.192 . 0 0 "[ . 1 . 2 .]" 1
606 3 14 ARG QG 3 15 VAL H . . 6.500 3.843 3.426 4.319 . 0 0 "[ . 1 . 2 .]" 1
607 3 15 VAL H 3 16 ILE HB . . 5.500 4.388 3.968 4.863 . 0 0 "[ . 1 . 2 .]" 1
608 3 15 VAL H 3 18 LEU MD1 . . 7.000 4.175 3.592 4.686 . 0 0 "[ . 1 . 2 .]" 1
609 3 15 VAL H 3 18 LEU HG . . 5.500 5.227 4.620 5.509 0.009 24 0 "[ . 1 . 2 .]" 1
610 3 15 VAL H 3 34 LEU QD . . 9.400 3.484 2.894 4.153 . 0 0 "[ . 1 . 2 .]" 1
611 3 15 VAL H 3 50 LEU QD . . 9.400 4.944 4.062 5.820 . 0 0 "[ . 1 . 2 .]" 1
612 3 15 VAL HA 3 18 LEU H . . 4.000 3.238 2.857 3.705 . 0 0 "[ . 1 . 2 .]" 1
613 3 15 VAL HA 3 22 TYR QD . . 8.500 6.639 6.230 7.586 . 0 0 "[ . 1 . 2 .]" 1
614 3 15 VAL HB 3 16 ILE H . . 4.500 3.457 2.611 4.525 0.025 22 0 "[ . 1 . 2 .]" 1
615 3 15 VAL HB 3 18 LEU H . . 6.500 5.635 5.336 6.508 0.008 22 0 "[ . 1 . 2 .]" 1
616 3 15 VAL MG1 3 16 ILE H . . 7.000 2.854 2.048 3.878 . 0 0 "[ . 1 . 2 .]" 1
617 3 15 VAL MG1 3 27 TRP HE3 . . 7.000 5.243 3.795 6.500 . 0 0 "[ . 1 . 2 .]" 1
618 3 15 VAL MG1 3 46 TRP HD1 . . 8.000 5.601 4.451 6.694 . 0 0 "[ . 1 . 2 .]" 1
619 3 15 VAL MG2 3 16 ILE H . . 7.000 4.084 3.936 4.355 . 0 0 "[ . 1 . 2 .]" 1
620 3 15 VAL MG2 3 18 LEU H . . 7.000 4.742 4.118 5.240 . 0 0 "[ . 1 . 2 .]" 1
621 3 15 VAL MG2 3 46 TRP HD1 . . 8.000 6.558 5.874 6.701 . 0 0 "[ . 1 . 2 .]" 1
622 3 15 VAL MG2 3 46 TRP HZ3 . . 7.000 4.307 2.846 5.829 . 0 0 "[ . 1 . 2 .]" 1
623 3 16 ILE H 3 17 LYS H . . 3.000 2.723 1.862 3.037 0.037 25 0 "[ . 1 . 2 .]" 1
624 3 16 ILE H 3 18 LEU H . . 6.000 3.982 2.356 4.379 . 0 0 "[ . 1 . 2 .]" 1
625 3 16 ILE HA 3 17 LYS H . . 4.000 3.570 3.520 3.622 . 0 0 "[ . 1 . 2 .]" 1
626 3 16 ILE HA 3 19 VAL H . . 4.000 3.829 3.557 4.112 0.112 4 0 "[ . 1 . 2 .]" 1
627 3 16 ILE HA 3 46 TRP HE3 . . 5.500 4.607 4.068 5.532 0.032 10 0 "[ . 1 . 2 .]" 1
628 3 16 ILE HA 3 46 TRP HZ3 . . 4.500 2.497 1.929 4.132 . 0 0 "[ . 1 . 2 .]" 1
629 3 16 ILE HB 3 17 LYS H . . 4.000 3.776 3.604 3.912 . 0 0 "[ . 1 . 2 .]" 1
630 3 16 ILE HB 3 46 TRP HE3 . . 6.500 5.525 5.036 5.956 . 0 0 "[ . 1 . 2 .]" 1
631 3 16 ILE HB 3 46 TRP HH2 . . 5.500 4.079 2.270 4.975 . 0 0 "[ . 1 . 2 .]" 1
632 3 16 ILE HB 3 46 TRP HZ3 . . 4.500 3.392 2.940 4.008 . 0 0 "[ . 1 . 2 .]" 1
633 3 16 ILE MD 3 17 LYS H . . 7.000 4.817 4.266 5.119 . 0 0 "[ . 1 . 2 .]" 1
634 3 16 ILE MD 3 20 GLN H . . 8.000 6.513 6.114 7.029 . 0 0 "[ . 1 . 2 .]" 1
635 3 16 ILE MD 3 46 TRP HZ3 . . 7.000 3.954 2.198 4.869 . 0 0 "[ . 1 . 2 .]" 1
636 3 16 ILE QG 3 17 LYS H . . 6.500 4.146 3.625 4.468 . 0 0 "[ . 1 . 2 .]" 1
637 3 16 ILE QG 3 46 TRP HZ3 . . 5.500 3.170 2.097 4.534 . 0 0 "[ . 1 . 2 .]" 1
638 3 16 ILE MG 3 17 LYS H . . 6.000 2.033 1.820 2.340 . 0 0 "[ . 1 . 2 .]" 1
639 3 16 ILE MG 3 18 LEU H . . 7.000 4.087 3.651 4.503 . 0 0 "[ . 1 . 2 .]" 1
640 3 16 ILE MG 3 19 VAL H . . 8.000 5.029 4.766 5.438 . 0 0 "[ . 1 . 2 .]" 1
641 3 16 ILE MG 3 20 GLN H . . 8.000 5.221 4.726 5.711 . 0 0 "[ . 1 . 2 .]" 1
642 3 16 ILE MG 3 20 GLN HE21 . . 6.000 4.026 2.925 5.014 . 0 0 "[ . 1 . 2 .]" 1
643 3 16 ILE MG 3 20 GLN HE22 . . 6.000 3.937 3.133 5.010 . 0 0 "[ . 1 . 2 .]" 1
644 3 16 ILE MG 3 46 TRP HZ2 . . 8.000 6.380 5.065 6.689 . 0 0 "[ . 1 . 2 .]" 1
645 3 16 ILE MG 3 46 TRP HZ3 . . 7.000 4.592 4.266 5.077 . 0 0 "[ . 1 . 2 .]" 1
646 3 17 LYS H 3 18 LEU H . . 3.000 2.371 2.043 2.534 . 0 0 "[ . 1 . 2 .]" 1
647 3 17 LYS H 3 18 LEU HB3 . . 6.500 5.914 5.549 6.085 . 0 0 "[ . 1 . 2 .]" 1
648 3 17 LYS H 3 18 LEU HG . . 5.500 3.986 3.530 4.393 . 0 0 "[ . 1 . 2 .]" 1
649 3 17 LYS H 3 19 VAL H . . 6.000 4.006 3.606 4.299 . 0 0 "[ . 1 . 2 .]" 1
650 3 17 LYS H 3 20 GLN H . . 6.000 4.911 4.619 5.336 . 0 0 "[ . 1 . 2 .]" 1
651 3 17 LYS HA 3 18 LEU H . . 4.000 3.559 3.510 3.614 . 0 0 "[ . 1 . 2 .]" 1
652 3 17 LYS HA 3 19 VAL H . . 5.000 4.274 3.807 4.889 . 0 0 "[ . 1 . 2 .]" 1
653 3 17 LYS HA 3 20 GLN H . . 4.000 3.534 2.964 4.031 0.031 19 0 "[ . 1 . 2 .]" 1
654 3 17 LYS HA 3 20 GLN HE21 . . 5.500 3.379 2.145 5.223 . 0 0 "[ . 1 . 2 .]" 1
655 3 17 LYS HA 3 20 GLN HE22 . . 6.500 3.904 3.097 5.285 . 0 0 "[ . 1 . 2 .]" 1
656 3 17 LYS HA 3 21 LYS H . . 5.000 4.665 3.952 5.039 0.039 11 0 "[ . 1 . 2 .]" 1
657 3 17 LYS HB2 3 18 LEU H . . 4.500 3.620 2.603 4.078 . 0 0 "[ . 1 . 2 .]" 1
658 3 17 LYS HB2 3 19 VAL H . . 6.500 5.600 4.997 6.310 . 0 0 "[ . 1 . 2 .]" 1
659 3 17 LYS HB3 3 18 LEU H . . 4.000 3.255 2.556 4.083 0.083 16 0 "[ . 1 . 2 .]" 1
660 3 17 LYS HB3 3 19 VAL H . . 5.500 5.334 4.892 5.567 0.067 4 0 "[ . 1 . 2 .]" 1
661 3 18 LEU H 3 19 VAL H . . 3.000 2.644 2.300 2.849 . 0 0 "[ . 1 . 2 .]" 1
662 3 18 LEU H 3 19 VAL MG2 . . 8.000 4.216 3.709 4.562 . 0 0 "[ . 1 . 2 .]" 1
663 3 18 LEU H 3 21 LYS H . . 5.000 4.867 4.607 5.029 0.029 15 0 "[ . 1 . 2 .]" 1
664 3 18 LEU H 3 22 TYR QD . . 8.500 5.878 5.468 6.869 . 0 0 "[ . 1 . 2 .]" 1
665 3 18 LEU H 3 30 ILE MD . . 8.000 4.891 4.158 6.292 . 0 0 "[ . 1 . 2 .]" 1
666 3 18 LEU HA 3 19 VAL H . . 4.000 3.597 3.549 3.655 . 0 0 "[ . 1 . 2 .]" 1
667 3 18 LEU HA 3 21 LYS H . . 4.000 3.444 3.227 3.733 . 0 0 "[ . 1 . 2 .]" 1
668 3 18 LEU HA 3 22 TYR H . . 5.000 4.006 3.611 4.468 . 0 0 "[ . 1 . 2 .]" 1
669 3 18 LEU HA 3 22 TYR QD . . 6.500 3.808 2.947 4.694 . 0 0 "[ . 1 . 2 .]" 1
670 3 18 LEU HA 3 22 TYR QE . . 6.500 3.900 3.429 4.723 . 0 0 "[ . 1 . 2 .]" 1
671 3 18 LEU HB2 3 19 VAL H . . 4.500 2.884 2.579 3.213 . 0 0 "[ . 1 . 2 .]" 1
672 3 18 LEU HB2 3 22 TYR QD . . 6.500 4.421 3.865 5.791 . 0 0 "[ . 1 . 2 .]" 1
673 3 18 LEU HB2 3 22 TYR QE . . 8.500 4.859 4.236 6.065 . 0 0 "[ . 1 . 2 .]" 1
674 3 18 LEU HB2 3 33 HIS HD2 . . 6.500 4.963 4.539 5.979 . 0 0 "[ . 1 . 2 .]" 1
675 3 18 LEU HB3 3 19 VAL H . . 4.500 3.858 3.487 4.124 . 0 0 "[ . 1 . 2 .]" 1
676 3 18 LEU HB3 3 22 TYR QD . . 6.500 2.938 2.405 4.359 . 0 0 "[ . 1 . 2 .]" 1
677 3 18 LEU HB3 3 22 TYR QE . . 6.500 3.167 2.491 4.615 . 0 0 "[ . 1 . 2 .]" 1
678 3 18 LEU HB3 3 33 HIS HD2 . . 6.500 3.853 3.232 5.187 . 0 0 "[ . 1 . 2 .]" 1
679 3 18 LEU MD1 3 19 VAL H . . 7.000 4.683 4.443 4.956 . 0 0 "[ . 1 . 2 .]" 1
680 3 18 LEU MD1 3 21 LYS H . . 8.000 6.453 6.309 6.618 . 0 0 "[ . 1 . 2 .]" 1
681 3 18 LEU MD1 3 22 TYR H . . 8.000 6.419 6.077 6.671 . 0 0 "[ . 1 . 2 .]" 1
682 3 18 LEU MD1 3 22 TYR QD . . 9.000 4.533 4.039 5.780 . 0 0 "[ . 1 . 2 .]" 1
683 3 18 LEU MD1 3 22 TYR QE . . 9.000 3.812 3.199 4.995 . 0 0 "[ . 1 . 2 .]" 1
684 3 18 LEU MD1 3 32 LYS H . . 8.000 5.914 4.785 6.663 . 0 0 "[ . 1 . 2 .]" 1
685 3 18 LEU MD1 3 33 HIS H . . 7.000 4.332 3.491 5.013 . 0 0 "[ . 1 . 2 .]" 1
686 3 18 LEU MD1 3 33 HIS HD2 . . 7.000 2.491 2.178 3.103 . 0 0 "[ . 1 . 2 .]" 1
687 3 18 LEU MD1 3 33 HIS HE1 . . 8.000 5.680 5.009 6.333 . 0 0 "[ . 1 . 2 .]" 1
688 3 18 LEU MD1 3 34 LEU H . . 6.000 4.090 3.014 5.046 . 0 0 "[ . 1 . 2 .]" 1
689 3 18 LEU MD2 3 19 VAL H . . 8.000 4.798 4.633 4.937 . 0 0 "[ . 1 . 2 .]" 1
690 3 18 LEU MD2 3 21 LYS H . . 7.000 4.952 4.765 5.200 . 0 0 "[ . 1 . 2 .]" 1
691 3 18 LEU MD2 3 22 TYR H . . 7.000 5.053 4.349 5.502 . 0 0 "[ . 1 . 2 .]" 1
692 3 18 LEU MD2 3 22 TYR QD . . 8.000 3.634 3.192 4.397 . 0 0 "[ . 1 . 2 .]" 1
693 3 18 LEU MD2 3 22 TYR QE . . 7.500 2.362 2.090 3.307 . 0 0 "[ . 1 . 2 .]" 1
694 3 18 LEU MD2 3 33 HIS H . . 7.000 5.378 4.472 5.835 . 0 0 "[ . 1 . 2 .]" 1
695 3 18 LEU MD2 3 33 HIS HD2 . . 6.000 2.918 2.194 3.761 . 0 0 "[ . 1 . 2 .]" 1
696 3 18 LEU MD2 3 33 HIS HE1 . . 7.000 4.922 3.808 5.834 . 0 0 "[ . 1 . 2 .]" 1
697 3 18 LEU HG 3 19 VAL H . . 5.500 4.468 4.202 4.785 . 0 0 "[ . 1 . 2 .]" 1
698 3 18 LEU HG 3 22 TYR QD . . 7.500 5.658 5.296 6.682 . 0 0 "[ . 1 . 2 .]" 1
699 3 18 LEU HG 3 22 TYR QE . . 7.500 5.123 4.741 5.959 . 0 0 "[ . 1 . 2 .]" 1
700 3 19 VAL H 3 20 GLN H . . 3.000 2.547 2.328 2.716 . 0 0 "[ . 1 . 2 .]" 1
701 3 19 VAL H 3 20 GLN HA . . 6.000 5.195 5.035 5.308 . 0 0 "[ . 1 . 2 .]" 1
702 3 19 VAL H 3 20 GLN QG . . 7.500 4.273 3.562 5.119 . 0 0 "[ . 1 . 2 .]" 1
703 3 19 VAL H 3 21 LYS H . . 5.000 3.831 3.576 4.116 . 0 0 "[ . 1 . 2 .]" 1
704 3 19 VAL H 3 23 GLY H . . 6.000 4.952 4.490 5.205 . 0 0 "[ . 1 . 2 .]" 1
705 3 19 VAL H 3 30 ILE MD . . 6.000 3.942 3.284 5.122 . 0 0 "[ . 1 . 2 .]" 1
706 3 19 VAL H 3 30 ILE MG . . 7.000 4.992 3.981 5.688 . 0 0 "[ . 1 . 2 .]" 1
707 3 19 VAL H 3 53 GLU QG . . 7.500 6.719 6.697 6.736 . 0 0 "[ . 1 . 2 .]" 1
708 3 19 VAL HA 3 20 GLN H . . 4.000 3.585 3.553 3.618 . 0 0 "[ . 1 . 2 .]" 1
709 3 19 VAL HA 3 21 LYS H . . 5.000 3.811 3.467 4.144 . 0 0 "[ . 1 . 2 .]" 1
710 3 19 VAL HA 3 22 TYR H . . 4.000 3.293 2.931 3.846 . 0 0 "[ . 1 . 2 .]" 1
711 3 19 VAL HA 3 22 TYR QD . . 6.500 4.198 3.593 4.998 . 0 0 "[ . 1 . 2 .]" 1
712 3 19 VAL HA 3 22 TYR QE . . 7.500 6.159 5.587 6.690 . 0 0 "[ . 1 . 2 .]" 1
713 3 19 VAL HA 3 23 GLY H . . 3.000 2.350 2.020 2.827 . 0 0 "[ . 1 . 2 .]" 1
714 3 19 VAL HB 3 20 GLN H . . 4.000 2.773 2.355 3.054 . 0 0 "[ . 1 . 2 .]" 1
715 3 19 VAL HB 3 21 LYS H . . 5.500 4.864 4.615 5.068 . 0 0 "[ . 1 . 2 .]" 1
716 3 19 VAL MG1 3 20 GLN H . . 7.000 3.375 2.729 3.878 . 0 0 "[ . 1 . 2 .]" 1
717 3 19 VAL MG1 3 21 LYS H . . 8.000 4.620 4.440 4.881 . 0 0 "[ . 1 . 2 .]" 1
718 3 19 VAL MG1 3 22 TYR H . . 8.000 4.682 4.223 5.170 . 0 0 "[ . 1 . 2 .]" 1
719 3 19 VAL MG1 3 23 GLY H . . 7.000 3.261 2.660 4.000 . 0 0 "[ . 1 . 2 .]" 1
720 3 19 VAL MG1 3 25 LYS H . . 7.000 5.015 3.434 5.843 . 0 0 "[ . 1 . 2 .]" 1
721 3 19 VAL MG1 3 27 TRP HE3 . . 8.000 6.295 5.243 6.682 . 0 0 "[ . 1 . 2 .]" 1
722 3 19 VAL MG1 3 27 TRP HH2 . . 7.000 3.684 2.722 4.609 . 0 0 "[ . 1 . 2 .]" 1
723 3 19 VAL MG1 3 27 TRP HZ3 . . 8.000 4.784 3.586 5.497 . 0 0 "[ . 1 . 2 .]" 1
724 3 19 VAL MG1 3 46 TRP HE1 . . 8.000 2.628 1.901 3.669 . 0 0 "[ . 1 . 2 .]" 1
725 3 19 VAL MG1 3 46 TRP HH2 . . 6.000 3.865 3.113 5.032 . 0 0 "[ . 1 . 2 .]" 1
726 3 19 VAL MG1 3 46 TRP HZ2 . . 6.000 2.491 2.233 3.117 . 0 0 "[ . 1 . 2 .]" 1
727 3 19 VAL MG1 3 46 TRP HZ3 . . 8.000 5.016 3.739 6.150 . 0 0 "[ . 1 . 2 .]" 1
728 3 19 VAL MG2 3 20 GLN H . . 6.000 4.002 3.702 4.139 . 0 0 "[ . 1 . 2 .]" 1
729 3 19 VAL MG2 3 21 LYS H . . 8.000 5.071 4.820 5.233 . 0 0 "[ . 1 . 2 .]" 1
730 3 19 VAL MG2 3 22 TYR H . . 7.000 4.980 4.725 5.396 . 0 0 "[ . 1 . 2 .]" 1
731 3 19 VAL MG2 3 22 TYR QD . . 9.000 4.876 4.308 5.692 . 0 0 "[ . 1 . 2 .]" 1
732 3 19 VAL MG2 3 23 GLY H . . 7.000 4.027 3.645 4.669 . 0 0 "[ . 1 . 2 .]" 1
733 3 19 VAL MG2 3 27 TRP HE3 . . 6.000 4.468 3.618 4.936 . 0 0 "[ . 1 . 2 .]" 1
734 3 19 VAL MG2 3 27 TRP HH2 . . 5.500 2.672 2.151 3.854 . 0 0 "[ . 1 . 2 .]" 1
735 3 19 VAL MG2 3 27 TRP HZ3 . . 5.500 2.851 2.137 3.264 . 0 0 "[ . 1 . 2 .]" 1
736 3 19 VAL MG2 3 46 TRP H . . 8.000 5.885 5.401 6.301 . 0 0 "[ . 1 . 2 .]" 1
737 3 19 VAL MG2 3 46 TRP HD1 . . 8.000 4.266 3.309 5.426 . 0 0 "[ . 1 . 2 .]" 1
738 3 19 VAL MG2 3 46 TRP HE1 . . 7.000 3.723 2.873 5.209 . 0 0 "[ . 1 . 2 .]" 1
739 3 19 VAL MG2 3 46 TRP HE3 . . 7.000 3.619 2.683 4.496 . 0 0 "[ . 1 . 2 .]" 1
740 3 19 VAL MG2 3 46 TRP HH2 . . 8.000 3.819 3.313 4.810 . 0 0 "[ . 1 . 2 .]" 1
741 3 19 VAL MG2 3 46 TRP HZ2 . . 8.000 3.530 3.115 4.548 . 0 0 "[ . 1 . 2 .]" 1
742 3 19 VAL MG2 3 46 TRP HZ3 . . 8.000 3.813 2.748 5.103 . 0 0 "[ . 1 . 2 .]" 1
743 3 20 GLN H 3 21 LYS H . . 3.000 2.628 2.500 2.770 . 0 0 "[ . 1 . 2 .]" 1
744 3 20 GLN H 3 21 LYS HB3 . . 6.500 5.112 4.642 6.294 . 0 0 "[ . 1 . 2 .]" 1
745 3 20 GLN H 3 22 TYR H . . 5.000 4.402 4.096 4.603 . 0 0 "[ . 1 . 2 .]" 1
746 3 20 GLN H 3 30 ILE MD . . 8.000 5.555 4.792 6.490 . 0 0 "[ . 1 . 2 .]" 1
747 3 20 GLN HA 3 21 LYS H . . 4.000 3.502 3.411 3.539 . 0 0 "[ . 1 . 2 .]" 1
748 3 20 GLN HA 3 22 TYR H . . 5.000 4.853 4.056 5.039 0.039 4 0 "[ . 1 . 2 .]" 1
749 3 20 GLN HB2 3 21 LYS H . . 4.500 3.239 2.937 4.127 . 0 0 "[ . 1 . 2 .]" 1
750 3 20 GLN HB2 3 22 TYR H . . 5.500 5.506 5.194 5.596 0.096 5 0 "[ . 1 . 2 .]" 1
751 3 20 GLN HB3 3 21 LYS H . . 4.500 3.972 3.726 4.368 . 0 0 "[ . 1 . 2 .]" 1
752 3 20 GLN HG2 3 21 LYS H . . 5.500 4.956 3.092 5.426 . 0 0 "[ . 1 . 2 .]" 1
753 3 20 GLN HG3 3 21 LYS H . . 5.500 4.426 2.502 5.143 . 0 0 "[ . 1 . 2 .]" 1
754 3 21 LYS H 3 22 TYR H . . 3.000 2.399 2.116 2.686 . 0 0 "[ . 1 . 2 .]" 1
755 3 21 LYS H 3 23 GLY H . . 4.000 3.950 3.494 4.059 0.059 6 0 "[ . 1 . 2 .]" 1
756 3 21 LYS H 3 30 ILE MD . . 8.000 5.320 4.414 6.004 . 0 0 "[ . 1 . 2 .]" 1
757 3 21 LYS HA 3 22 TYR H . . 4.000 3.606 3.513 3.651 . 0 0 "[ . 1 . 2 .]" 1
758 3 21 LYS HA 3 22 TYR QD . . 7.500 5.195 4.427 5.657 . 0 0 "[ . 1 . 2 .]" 1
759 3 21 LYS HA 3 22 TYR QE . . 7.500 6.078 5.587 6.594 . 0 0 "[ . 1 . 2 .]" 1
760 3 21 LYS HB2 3 22 TYR H . . 4.500 3.624 2.422 4.074 . 0 0 "[ . 1 . 2 .]" 1
761 3 21 LYS HB2 3 22 TYR QD . . 7.500 4.799 3.452 5.364 . 0 0 "[ . 1 . 2 .]" 1
762 3 21 LYS HB2 3 22 TYR QE . . 7.500 5.068 3.875 5.678 . 0 0 "[ . 1 . 2 .]" 1
763 3 21 LYS HB2 3 23 GLY H . . 6.500 5.838 3.982 6.435 . 0 0 "[ . 1 . 2 .]" 1
764 3 21 LYS HB3 3 22 TYR H . . 4.000 2.664 2.297 3.377 . 0 0 "[ . 1 . 2 .]" 1
765 3 21 LYS HB3 3 22 TYR QD . . 6.500 3.452 2.367 3.993 . 0 0 "[ . 1 . 2 .]" 1
766 3 21 LYS HB3 3 22 TYR QE . . 6.500 3.921 3.276 4.432 . 0 0 "[ . 1 . 2 .]" 1
767 3 21 LYS HB3 3 23 GLY H . . 5.500 4.972 4.659 5.544 0.044 23 0 "[ . 1 . 2 .]" 1
768 3 21 LYS QD 3 22 TYR QD . . 8.500 4.158 2.976 6.010 . 0 0 "[ . 1 . 2 .]" 1
769 3 21 LYS QD 3 22 TYR QE . . 7.500 3.683 2.529 5.954 . 0 0 "[ . 1 . 2 .]" 1
770 3 21 LYS HD2 3 22 TYR H . . 6.500 5.273 3.748 6.040 . 0 0 "[ . 1 . 2 .]" 1
771 3 21 LYS HD3 3 22 TYR H . . 6.500 5.198 3.401 6.343 . 0 0 "[ . 1 . 2 .]" 1
772 3 21 LYS QE 3 22 TYR QE . . 7.500 3.639 2.415 5.873 . 0 0 "[ . 1 . 2 .]" 1
773 3 21 LYS HG2 3 22 TYR H . . 4.500 4.079 3.382 4.575 0.075 25 0 "[ . 1 . 2 .]" 1
774 3 21 LYS HG2 3 22 TYR QD . . 6.500 4.087 2.753 5.793 . 0 0 "[ . 1 . 2 .]" 1
775 3 21 LYS HG2 3 22 TYR QE . . 6.500 4.192 3.140 5.808 . 0 0 "[ . 1 . 2 .]" 1
776 3 21 LYS HG3 3 22 TYR H . . 5.500 4.700 3.134 5.203 . 0 0 "[ . 1 . 2 .]" 1
777 3 22 TYR H 3 23 GLY H . . 3.000 2.381 1.796 2.564 . 0 0 "[ . 1 . 2 .]" 1
778 3 22 TYR H 3 30 ILE MD . . 7.000 4.261 3.199 4.866 . 0 0 "[ . 1 . 2 .]" 1
779 3 22 TYR HA 3 23 GLY H . . 4.000 3.595 3.453 3.619 . 0 0 "[ . 1 . 2 .]" 1
780 3 22 TYR HB2 3 23 GLY H . . 4.500 2.393 2.081 4.150 . 0 0 "[ . 1 . 2 .]" 1
781 3 22 TYR HB3 3 23 GLY H . . 4.500 3.485 2.948 4.575 0.075 25 0 "[ . 1 . 2 .]" 1
782 3 22 TYR QD 3 23 GLY H . . 7.500 4.008 2.733 4.400 . 0 0 "[ . 1 . 2 .]" 1
783 3 22 TYR QD 3 26 ARG HB3 . . 7.500 4.938 2.290 6.600 . 0 0 "[ . 1 . 2 .]" 1
784 3 22 TYR QD 3 26 ARG QD . . 8.500 4.793 2.820 6.721 . 0 0 "[ . 1 . 2 .]" 1
785 3 22 TYR QD 3 29 VAL MG1 . . 8.000 3.441 2.776 4.614 . 0 0 "[ . 1 . 2 .]" 1
786 3 22 TYR QD 3 29 VAL MG2 . . 9.000 4.781 4.092 6.316 . 0 0 "[ . 1 . 2 .]" 1
787 3 22 TYR QD 3 30 ILE HA . . 6.500 4.125 3.614 5.186 . 0 0 "[ . 1 . 2 .]" 1
788 3 22 TYR QD 3 30 ILE MD . . 8.000 2.621 2.037 3.859 . 0 0 "[ . 1 . 2 .]" 1
789 3 22 TYR QD 3 30 ILE HG12 . . 6.500 3.366 2.227 4.999 . 0 0 "[ . 1 . 2 .]" 1
790 3 22 TYR QD 3 30 ILE HG13 . . 6.500 3.917 2.195 5.471 . 0 0 "[ . 1 . 2 .]" 1
791 3 22 TYR QD 3 30 ILE MG . . 9.000 4.505 3.369 6.135 . 0 0 "[ . 1 . 2 .]" 1
792 3 22 TYR QD 3 33 HIS HE1 . . 7.500 5.989 4.884 6.687 . 0 0 "[ . 1 . 2 .]" 1
793 3 22 TYR QE 3 29 VAL MG1 . . 8.000 2.943 2.119 4.443 . 0 0 "[ . 1 . 2 .]" 1
794 3 22 TYR QE 3 29 VAL MG2 . . 9.000 4.897 3.348 6.515 . 0 0 "[ . 1 . 2 .]" 1
795 3 22 TYR QE 3 30 ILE HA . . 7.500 3.844 2.839 4.944 . 0 0 "[ . 1 . 2 .]" 1
796 3 22 TYR QE 3 30 ILE HB . . 7.500 6.243 5.042 6.699 . 0 0 "[ . 1 . 2 .]" 1
797 3 22 TYR QE 3 33 HIS HD2 . . 6.500 3.254 2.357 4.886 . 0 0 "[ . 1 . 2 .]" 1
798 3 22 TYR QE 3 33 HIS HE1 . . 6.500 4.165 2.622 4.826 . 0 0 "[ . 1 . 2 .]" 1
799 3 23 GLY H 3 24 PRO QD . . 6.500 4.037 2.790 4.309 . 0 0 "[ . 1 . 2 .]" 1
800 3 23 GLY H 3 30 ILE MD . . 7.000 3.786 2.765 4.624 . 0 0 "[ . 1 . 2 .]" 1
801 3 24 PRO HA 3 25 LYS H . . 3.000 2.615 2.217 3.416 0.416 25 0 "[ . 1 . 2 .]" 1
802 3 24 PRO HA 3 27 TRP HH2 . . 4.500 3.787 2.820 4.530 0.030 20 0 "[ . 1 . 2 .]" 1
803 3 24 PRO HA 3 27 TRP HZ2 . . 4.500 3.275 2.428 4.525 0.025 25 0 "[ . 1 . 2 .]" 1
804 3 24 PRO HA 3 46 TRP HD1 . . 5.500 4.791 4.008 5.529 0.029 13 0 "[ . 1 . 2 .]" 1
805 3 24 PRO QB 3 25 LYS H . . 5.500 3.421 2.340 4.078 . 0 0 "[ . 1 . 2 .]" 1
806 3 24 PRO QB 3 27 TRP HZ2 . . 6.500 3.120 2.168 5.072 . 0 0 "[ . 1 . 2 .]" 1
807 3 24 PRO QB 3 47 HIS HD1 . . 6.500 4.765 3.643 5.818 . 0 0 "[ . 1 . 2 .]" 1
808 3 25 LYS H 3 26 ARG H . . 4.000 3.090 1.810 4.249 0.249 8 0 "[ . 1 . 2 .]" 1
809 3 25 LYS H 3 26 ARG QD . . 6.500 5.079 2.466 5.811 . 0 0 "[ . 1 . 2 .]" 1
810 3 25 LYS H 3 27 TRP HE1 . . 5.500 3.947 2.203 5.506 0.006 9 0 "[ . 1 . 2 .]" 1
811 3 25 LYS H 3 30 ILE MD . . 7.000 5.058 3.833 6.372 . 0 0 "[ . 1 . 2 .]" 1
812 3 25 LYS HA 3 26 ARG H . . 3.000 2.533 2.149 3.072 0.072 12 0 "[ . 1 . 2 .]" 1
813 3 25 LYS HA 3 27 TRP HD1 . . 5.500 3.476 2.703 4.253 . 0 0 "[ . 1 . 2 .]" 1
814 3 25 LYS HA 3 27 TRP HZ2 . . 5.500 5.008 2.908 5.531 0.031 21 0 "[ . 1 . 2 .]" 1
815 3 25 LYS HB2 3 26 ARG H . . 5.500 4.173 2.300 4.718 . 0 0 "[ . 1 . 2 .]" 1
816 3 25 LYS HB3 3 26 ARG H . . 5.500 4.200 2.212 4.732 . 0 0 "[ . 1 . 2 .]" 1
817 3 25 LYS QG 3 26 ARG H . . 5.500 3.916 1.942 4.814 . 0 0 "[ . 1 . 2 .]" 1
818 3 25 LYS QG 3 27 TRP H . . 6.500 5.191 3.996 5.842 . 0 0 "[ . 1 . 2 .]" 1
819 3 26 ARG H 3 27 TRP H . . 3.000 1.963 1.531 2.508 . 0 0 "[ . 1 . 2 .]" 1
820 3 26 ARG H 3 27 TRP HE1 . . 5.500 4.517 3.701 5.502 0.002 22 0 "[ . 1 . 2 .]" 1
821 3 26 ARG H 3 28 SER H . . 4.000 4.182 4.002 4.329 0.329 20 0 "[ . 1 . 2 .]" 1
822 3 26 ARG H 3 30 ILE MD . . 7.000 4.989 3.503 5.779 . 0 0 "[ . 1 . 2 .]" 1
823 3 26 ARG HA 3 27 TRP H . . 4.000 3.024 2.595 3.581 . 0 0 "[ . 1 . 2 .]" 1
824 3 26 ARG HB2 3 27 TRP H . . 4.000 3.790 2.081 4.313 0.313 16 0 "[ . 1 . 2 .]" 1
825 3 26 ARG HB3 3 27 TRP H . . 4.500 4.187 2.894 4.537 0.037 16 0 "[ . 1 . 2 .]" 1
826 3 26 ARG QD 3 27 TRP H . . 6.500 5.132 3.758 5.875 . 0 0 "[ . 1 . 2 .]" 1
827 3 26 ARG QG 3 27 TRP H . . 6.500 4.419 3.882 4.857 . 0 0 "[ . 1 . 2 .]" 1
828 3 27 TRP H 3 27 TRP HD1 . . 4.000 3.234 2.633 4.160 0.160 12 0 "[ . 1 . 2 .]" 1
829 3 27 TRP H 3 28 SER H . . 3.000 2.720 2.503 3.071 0.071 20 0 "[ . 1 . 2 .]" 1
830 3 27 TRP H 3 30 ILE MD . . 7.000 4.762 3.962 6.002 . 0 0 "[ . 1 . 2 .]" 1
831 3 27 TRP HA 3 28 SER H . . 5.000 3.428 2.991 3.575 . 0 0 "[ . 1 . 2 .]" 1
832 3 27 TRP HA 3 30 ILE H . . 4.000 3.182 2.879 3.983 . 0 0 "[ . 1 . 2 .]" 1
833 3 27 TRP HA 3 31 ALA H . . 4.000 3.493 2.475 3.882 . 0 0 "[ . 1 . 2 .]" 1
834 3 27 TRP HB2 3 28 SER H . . 5.500 3.154 2.715 3.962 . 0 0 "[ . 1 . 2 .]" 1
835 3 27 TRP HB3 3 28 SER H . . 6.500 4.070 3.732 4.525 . 0 0 "[ . 1 . 2 .]" 1
836 3 27 TRP HD1 3 28 SER H . . 5.500 5.003 4.693 5.610 0.110 25 0 "[ . 1 . 2 .]" 1
837 3 27 TRP HD1 3 43 ARG HA . . 5.500 5.240 4.740 5.551 0.051 1 0 "[ . 1 . 2 .]" 1
838 3 27 TRP HD1 3 43 ARG HB2 . . 5.500 3.586 3.210 4.204 . 0 0 "[ . 1 . 2 .]" 1
839 3 27 TRP HE1 3 43 ARG HA . . 5.500 4.318 3.859 4.902 . 0 0 "[ . 1 . 2 .]" 1
840 3 27 TRP HE1 3 47 HIS HD2 . . 4.500 4.326 3.180 4.607 0.107 12 0 "[ . 1 . 2 .]" 1
841 3 27 TRP HE3 3 30 ILE HB . . 4.500 2.733 2.394 3.400 . 0 0 "[ . 1 . 2 .]" 1
842 3 27 TRP HE3 3 30 ILE MD . . 7.000 3.419 2.202 4.767 . 0 0 "[ . 1 . 2 .]" 1
843 3 27 TRP HE3 3 30 ILE HG12 . . 5.500 4.370 3.274 5.228 . 0 0 "[ . 1 . 2 .]" 1
844 3 27 TRP HE3 3 30 ILE HG13 . . 6.500 3.597 2.398 5.514 . 0 0 "[ . 1 . 2 .]" 1
845 3 27 TRP HE3 3 30 ILE MG . . 7.000 2.854 2.233 3.513 . 0 0 "[ . 1 . 2 .]" 1
846 3 27 TRP HE3 3 31 ALA H . . 5.500 4.593 4.252 4.814 . 0 0 "[ . 1 . 2 .]" 1
847 3 27 TRP HE3 3 31 ALA MB . . 6.000 4.908 3.892 5.028 . 0 0 "[ . 1 . 2 .]" 1
848 3 27 TRP HE3 3 39 GLY HA2 . . 6.500 4.714 3.403 6.526 0.026 19 0 "[ . 1 . 2 .]" 1
849 3 27 TRP HE3 3 42 CYS HA . . 5.500 4.976 4.578 5.546 0.046 11 0 "[ . 1 . 2 .]" 1
850 3 27 TRP HE3 3 42 CYS HB2 . . 4.500 2.782 2.415 3.743 . 0 0 "[ . 1 . 2 .]" 1
851 3 27 TRP HE3 3 42 CYS HB3 . . 4.500 3.195 2.317 4.422 . 0 0 "[ . 1 . 2 .]" 1
852 3 27 TRP HE3 3 43 ARG H . . 4.500 4.161 3.544 4.511 0.011 15 0 "[ . 1 . 2 .]" 1
853 3 27 TRP HE3 3 43 ARG HB2 . . 5.500 4.364 3.729 5.231 . 0 0 "[ . 1 . 2 .]" 1
854 3 27 TRP HH2 3 30 ILE MD . . 7.000 4.653 3.590 5.696 . 0 0 "[ . 1 . 2 .]" 1
855 3 27 TRP HH2 3 30 ILE HG12 . . 6.500 6.621 5.904 7.346 0.846 14 5 "[*- *.* 1 +. 2 .]" 1
856 3 27 TRP HH2 3 30 ILE MG . . 7.000 4.966 4.505 5.844 . 0 0 "[ . 1 . 2 .]" 1
857 3 27 TRP HH2 3 43 ARG HA . . 6.500 3.919 3.339 4.609 . 0 0 "[ . 1 . 2 .]" 1
858 3 27 TRP HH2 3 46 TRP H . . 6.500 4.921 4.206 5.644 . 0 0 "[ . 1 . 2 .]" 1
859 3 27 TRP HH2 3 46 TRP HB2 . . 4.500 2.895 2.275 3.625 . 0 0 "[ . 1 . 2 .]" 1
860 3 27 TRP HH2 3 46 TRP HB3 . . 4.500 2.925 2.278 3.700 . 0 0 "[ . 1 . 2 .]" 1
861 3 27 TRP HH2 3 46 TRP HD1 . . 5.500 2.898 2.289 3.908 . 0 0 "[ . 1 . 2 .]" 1
862 3 27 TRP HH2 3 46 TRP HE1 . . 5.500 3.979 3.348 4.694 . 0 0 "[ . 1 . 2 .]" 1
863 3 27 TRP HZ2 3 43 ARG HA . . 5.500 3.641 2.926 4.340 . 0 0 "[ . 1 . 2 .]" 1
864 3 27 TRP HZ2 3 46 TRP HB2 . . 5.500 4.467 3.225 5.504 0.004 19 0 "[ . 1 . 2 .]" 1
865 3 27 TRP HZ2 3 46 TRP HD1 . . 4.500 2.935 2.152 4.103 . 0 0 "[ . 1 . 2 .]" 1
866 3 27 TRP HZ2 3 47 HIS HD1 . . 4.500 4.257 3.462 4.713 0.213 24 0 "[ . 1 . 2 .]" 1
867 3 27 TRP HZ3 3 30 ILE MD . . 6.000 3.281 2.253 4.524 . 0 0 "[ . 1 . 2 .]" 1
868 3 27 TRP HZ3 3 30 ILE HG12 . . 5.500 4.936 3.628 5.855 0.355 2 0 "[ . 1 . 2 .]" 1
869 3 27 TRP HZ3 3 30 ILE MG . . 7.000 2.839 2.461 3.700 . 0 0 "[ . 1 . 2 .]" 1
870 3 27 TRP HZ3 3 31 ALA H . . 6.500 6.516 6.425 6.553 0.053 13 0 "[ . 1 . 2 .]" 1
871 3 27 TRP HZ3 3 42 CYS HB2 . . 5.500 3.693 2.407 5.368 . 0 0 "[ . 1 . 2 .]" 1
872 3 27 TRP HZ3 3 43 ARG H . . 5.500 5.153 4.852 5.530 0.030 18 0 "[ . 1 . 2 .]" 1
873 3 27 TRP HZ3 3 43 ARG HA . . 6.500 4.166 3.615 4.663 . 0 0 "[ . 1 . 2 .]" 1
874 3 27 TRP HZ3 3 43 ARG HB2 . . 5.500 5.503 5.128 5.568 0.068 15 0 "[ . 1 . 2 .]" 1
875 3 27 TRP HZ3 3 46 TRP H . . 6.500 5.196 4.681 5.742 . 0 0 "[ . 1 . 2 .]" 1
876 3 27 TRP HZ3 3 46 TRP HB2 . . 5.500 3.485 2.828 3.881 . 0 0 "[ . 1 . 2 .]" 1
877 3 27 TRP HZ3 3 46 TRP HB3 . . 5.500 4.341 3.506 5.167 . 0 0 "[ . 1 . 2 .]" 1
878 3 28 SER H 3 29 VAL H . . 3.000 2.505 1.941 2.744 . 0 0 "[ . 1 . 2 .]" 1
879 3 28 SER H 3 29 VAL HA . . 6.000 5.165 4.581 5.339 . 0 0 "[ . 1 . 2 .]" 1
880 3 28 SER H 3 29 VAL HB . . 5.500 4.609 3.852 4.900 . 0 0 "[ . 1 . 2 .]" 1
881 3 28 SER H 3 29 VAL MG1 . . 8.000 5.682 4.698 5.909 . 0 0 "[ . 1 . 2 .]" 1
882 3 28 SER H 3 29 VAL MG2 . . 7.000 4.087 3.666 5.831 . 0 0 "[ . 1 . 2 .]" 1
883 3 28 SER H 3 30 ILE H . . 5.000 3.919 2.947 4.472 . 0 0 "[ . 1 . 2 .]" 1
884 3 28 SER H 3 30 ILE HB . . 5.500 4.907 3.726 5.420 . 0 0 "[ . 1 . 2 .]" 1
885 3 28 SER H 3 31 ALA MB . . 6.000 4.611 4.110 5.005 . 0 0 "[ . 1 . 2 .]" 1
886 3 28 SER HA 3 30 ILE H . . 5.000 4.721 4.453 5.020 0.020 18 0 "[ . 1 . 2 .]" 1
887 3 28 SER HA 3 31 ALA H . . 4.000 3.786 3.402 4.152 0.152 18 0 "[ . 1 . 2 .]" 1
888 3 28 SER HA 3 39 GLY H . . 5.000 4.649 3.367 5.078 0.078 2 0 "[ . 1 . 2 .]" 1
889 3 28 SER QB 3 29 VAL H . . 5.500 2.944 2.328 3.905 . 0 0 "[ . 1 . 2 .]" 1
890 3 29 VAL H 3 30 ILE H . . 4.000 2.460 1.887 2.660 . 0 0 "[ . 1 . 2 .]" 1
891 3 29 VAL H 3 30 ILE HB . . 5.500 4.524 3.510 5.133 . 0 0 "[ . 1 . 2 .]" 1
892 3 29 VAL H 3 30 ILE HG12 . . 6.500 4.856 3.763 6.497 . 0 0 "[ . 1 . 2 .]" 1
893 3 29 VAL H 3 30 ILE HG13 . . 5.500 5.016 3.899 5.524 0.024 2 0 "[ . 1 . 2 .]" 1
894 3 29 VAL H 3 31 ALA H . . 5.000 3.949 2.728 4.294 . 0 0 "[ . 1 . 2 .]" 1
895 3 29 VAL H 3 31 ALA MB . . 7.000 4.591 4.226 4.878 . 0 0 "[ . 1 . 2 .]" 1
896 3 29 VAL HA 3 30 ILE H . . 4.000 3.603 3.577 3.629 . 0 0 "[ . 1 . 2 .]" 1
897 3 29 VAL HA 3 32 LYS H . . 4.000 3.256 3.118 3.369 . 0 0 "[ . 1 . 2 .]" 1
898 3 29 VAL HA 3 33 HIS HE1 . . 6.500 5.069 3.627 5.837 . 0 0 "[ . 1 . 2 .]" 1
899 3 29 VAL HB 3 30 ILE H . . 4.500 2.636 2.372 3.600 . 0 0 "[ . 1 . 2 .]" 1
900 3 29 VAL HB 3 31 ALA H . . 5.500 5.095 4.775 5.561 0.061 13 0 "[ . 1 . 2 .]" 1
901 3 29 VAL HB 3 33 HIS HE1 . . 6.500 5.904 4.740 6.508 0.008 24 0 "[ . 1 . 2 .]" 1
902 3 29 VAL MG1 3 30 ILE H . . 6.000 3.343 1.945 3.608 . 0 0 "[ . 1 . 2 .]" 1
903 3 29 VAL MG1 3 31 ALA H . . 7.000 5.027 4.186 5.341 . 0 0 "[ . 1 . 2 .]" 1
904 3 29 VAL MG1 3 33 HIS HD2 . . 6.000 3.908 3.153 5.001 . 0 0 "[ . 1 . 2 .]" 1
905 3 29 VAL MG1 3 33 HIS HE1 . . 6.000 3.089 2.120 4.710 . 0 0 "[ . 1 . 2 .]" 1
906 3 29 VAL MG2 3 30 ILE H . . 6.000 3.872 3.673 4.029 . 0 0 "[ . 1 . 2 .]" 1
907 3 29 VAL MG2 3 31 ALA H . . 8.000 5.402 5.089 5.597 . 0 0 "[ . 1 . 2 .]" 1
908 3 29 VAL MG2 3 32 LYS H . . 6.000 4.994 4.470 5.063 . 0 0 "[ . 1 . 2 .]" 1
909 3 29 VAL MG2 3 33 HIS H . . 8.000 6.385 5.014 6.678 . 0 0 "[ . 1 . 2 .]" 1
910 3 29 VAL MG2 3 33 HIS HE1 . . 7.000 5.206 3.294 5.834 . 0 0 "[ . 1 . 2 .]" 1
911 3 30 ILE H 3 31 ALA H . . 4.000 2.740 2.554 2.903 . 0 0 "[ . 1 . 2 .]" 1
912 3 30 ILE H 3 31 ALA HA . . 6.000 5.354 5.202 5.467 . 0 0 "[ . 1 . 2 .]" 1
913 3 30 ILE HA 3 31 ALA H . . 4.000 3.580 3.519 3.613 . 0 0 "[ . 1 . 2 .]" 1
914 3 30 ILE HA 3 32 LYS H . . 5.000 4.001 3.569 4.448 . 0 0 "[ . 1 . 2 .]" 1
915 3 30 ILE HA 3 33 HIS H . . 4.000 3.628 3.117 4.087 0.087 2 0 "[ . 1 . 2 .]" 1
916 3 30 ILE HA 3 33 HIS HD2 . . 4.500 2.451 2.048 4.669 0.169 16 0 "[ . 1 . 2 .]" 1
917 3 30 ILE HA 3 33 HIS HE1 . . 6.500 5.345 4.025 6.011 . 0 0 "[ . 1 . 2 .]" 1
918 3 30 ILE HB 3 31 ALA H . . 4.000 2.498 2.098 2.973 . 0 0 "[ . 1 . 2 .]" 1
919 3 30 ILE MD 3 31 ALA H . . 7.000 4.535 3.820 4.779 . 0 0 "[ . 1 . 2 .]" 1
920 3 30 ILE MD 3 32 LYS H . . 8.000 5.788 5.026 6.467 . 0 0 "[ . 1 . 2 .]" 1
921 3 30 ILE MD 3 33 HIS H . . 7.000 5.741 4.994 6.353 . 0 0 "[ . 1 . 2 .]" 1
922 3 30 ILE MD 3 46 TRP HE3 . . 8.000 6.447 5.422 7.319 . 0 0 "[ . 1 . 2 .]" 1
923 3 30 ILE HG12 3 31 ALA H . . 5.500 4.531 3.680 5.314 . 0 0 "[ . 1 . 2 .]" 1
924 3 30 ILE MG 3 31 ALA H . . 6.000 3.261 2.768 3.841 . 0 0 "[ . 1 . 2 .]" 1
925 3 30 ILE MG 3 32 LYS H . . 7.000 4.716 4.300 5.132 . 0 0 "[ . 1 . 2 .]" 1
926 3 30 ILE MG 3 33 HIS HD2 . . 7.000 3.615 2.307 5.830 . 0 0 "[ . 1 . 2 .]" 1
927 3 31 ALA H 3 32 LYS H . . 3.000 2.754 2.632 2.934 . 0 0 "[ . 1 . 2 .]" 1
928 3 31 ALA H 3 32 LYS HB2 . . 6.500 4.976 4.315 6.253 . 0 0 "[ . 1 . 2 .]" 1
929 3 31 ALA H 3 32 LYS HB3 . . 6.500 5.440 4.536 6.509 0.009 1 0 "[ . 1 . 2 .]" 1
930 3 31 ALA H 3 33 HIS H . . 5.000 4.379 3.842 4.694 . 0 0 "[ . 1 . 2 .]" 1
931 3 31 ALA H 3 34 LEU QB . . 7.500 4.951 4.343 5.624 . 0 0 "[ . 1 . 2 .]" 1
932 3 31 ALA HA 3 32 LYS H . . 4.000 3.544 3.124 3.611 . 0 0 "[ . 1 . 2 .]" 1
933 3 31 ALA HA 3 33 HIS H . . 5.000 3.990 3.686 4.298 . 0 0 "[ . 1 . 2 .]" 1
934 3 31 ALA HA 3 34 LEU H . . 4.000 3.347 2.935 4.057 0.057 18 0 "[ . 1 . 2 .]" 1
935 3 31 ALA MB 3 32 LYS H . . 5.500 2.846 2.484 3.599 . 0 0 "[ . 1 . 2 .]" 1
936 3 31 ALA MB 3 38 ILE H . . 7.000 4.129 2.162 5.082 . 0 0 "[ . 1 . 2 .]" 1
937 3 31 ALA MB 3 39 GLY H . . 5.500 2.633 1.774 3.668 . 0 0 "[ . 1 . 2 .]" 1
938 3 31 ALA MB 3 40 LYS H . . 6.000 4.666 3.326 5.026 . 0 0 "[ . 1 . 2 .]" 1
939 3 31 ALA MB 3 42 CYS H . . 7.000 4.558 3.480 5.382 . 0 0 "[ . 1 . 2 .]" 1
940 3 32 LYS H 3 33 HIS H . . 3.000 2.701 2.183 3.008 0.008 2 0 "[ . 1 . 2 .]" 1
941 3 32 LYS H 3 33 HIS HA . . 6.000 5.326 4.868 5.534 . 0 0 "[ . 1 . 2 .]" 1
942 3 32 LYS H 3 34 LEU H . . 5.000 4.273 3.954 4.977 . 0 0 "[ . 1 . 2 .]" 1
943 3 32 LYS HA 3 33 HIS H . . 4.000 3.575 3.478 3.627 . 0 0 "[ . 1 . 2 .]" 1
944 3 32 LYS HA 3 33 HIS HE1 . . 6.500 6.441 6.030 6.558 0.058 25 0 "[ . 1 . 2 .]" 1
945 3 32 LYS HB2 3 33 HIS H . . 4.500 3.756 2.564 4.469 . 0 0 "[ . 1 . 2 .]" 1
946 3 32 LYS HB2 3 33 HIS HE1 . . 6.500 4.841 3.027 5.708 . 0 0 "[ . 1 . 2 .]" 1
947 3 32 LYS HB3 3 33 HIS H . . 4.500 3.222 2.629 4.006 . 0 0 "[ . 1 . 2 .]" 1
948 3 32 LYS HB3 3 33 HIS HE1 . . 6.500 3.929 3.079 5.402 . 0 0 "[ . 1 . 2 .]" 1
949 3 32 LYS QD 3 33 HIS HE1 . . 6.500 4.231 2.414 5.826 . 0 0 "[ . 1 . 2 .]" 1
950 3 32 LYS QE 3 33 HIS HE1 . . 6.500 4.797 2.519 5.819 . 0 0 "[ . 1 . 2 .]" 1
951 3 32 LYS HG2 3 33 HIS H . . 5.500 4.516 2.745 5.412 . 0 0 "[ . 1 . 2 .]" 1
952 3 32 LYS HG3 3 33 HIS H . . 5.500 4.739 2.493 5.500 . 0 0 "[ . 1 . 2 .]" 1
953 3 33 HIS H 3 34 LEU H . . 3.000 2.378 2.055 3.006 0.006 18 0 "[ . 1 . 2 .]" 1
954 3 33 HIS H 3 34 LEU HA . . 5.000 4.983 4.804 5.085 0.085 3 0 "[ . 1 . 2 .]" 1
955 3 33 HIS H 3 34 LEU QB . . 6.500 4.270 3.510 4.569 . 0 0 "[ . 1 . 2 .]" 1
956 3 33 HIS H 3 34 LEU QD . . 9.400 4.473 3.587 5.363 . 0 0 "[ . 1 . 2 .]" 1
957 3 33 HIS HA 3 34 LEU H . . 5.000 3.506 2.611 3.626 . 0 0 "[ . 1 . 2 .]" 1
958 3 33 HIS HA 3 35 LYS H . . 6.000 3.705 3.124 4.294 . 0 0 "[ . 1 . 2 .]" 1
959 3 33 HIS HB2 3 34 LEU H . . 5.500 2.800 2.313 4.410 . 0 0 "[ . 1 . 2 .]" 1
960 3 33 HIS HB3 3 34 LEU H . . 5.500 3.983 3.115 4.676 . 0 0 "[ . 1 . 2 .]" 1
961 3 33 HIS HD2 3 34 LEU H . . 5.500 4.234 3.020 5.535 0.035 16 0 "[ . 1 . 2 .]" 1
962 3 33 HIS HD2 3 35 LYS H . . 6.500 6.540 5.951 6.667 0.167 16 0 "[ . 1 . 2 .]" 1
963 3 34 LEU H 3 37 ARG H . . 6.000 5.311 3.629 5.983 . 0 0 "[ . 1 . 2 .]" 1
964 3 34 LEU HA 3 35 LYS H . . 3.000 2.953 2.344 3.392 0.392 21 0 "[ . 1 . 2 .]" 1
965 3 34 LEU HA 3 36 GLY H . . 5.000 4.344 3.103 5.098 0.098 25 0 "[ . 1 . 2 .]" 1
966 3 34 LEU HA 3 37 ARG H . . 6.000 4.734 3.611 6.018 0.018 2 0 "[ . 1 . 2 .]" 1
967 3 34 LEU QB 3 35 LYS H . . 5.500 3.549 2.846 4.055 . 0 0 "[ . 1 . 2 .]" 1
968 3 34 LEU MD1 3 35 LYS H . . 7.000 5.001 3.956 5.523 . 0 0 "[ . 1 . 2 .]" 1
969 3 34 LEU MD2 3 35 LYS H . . 7.000 4.658 3.467 5.447 . 0 0 "[ . 1 . 2 .]" 1
970 3 34 LEU HG 3 35 LYS H . . 4.500 4.469 4.089 4.663 0.163 9 0 "[ . 1 . 2 .]" 1
971 3 35 LYS H 3 36 GLY H . . 5.000 3.653 2.445 4.253 . 0 0 "[ . 1 . 2 .]" 1
972 3 35 LYS H 3 37 ARG H . . 6.000 4.511 3.771 5.162 . 0 0 "[ . 1 . 2 .]" 1
973 3 35 LYS HA 3 36 GLY H . . 4.000 3.323 1.983 3.652 . 0 0 "[ . 1 . 2 .]" 1
974 3 35 LYS HA 3 37 ARG H . . 5.000 4.473 3.566 5.094 0.094 4 0 "[ . 1 . 2 .]" 1
975 3 35 LYS HB2 3 36 GLY H . . 4.500 3.335 1.894 4.515 0.015 4 0 "[ . 1 . 2 .]" 1
976 3 35 LYS HB3 3 36 GLY H . . 4.000 3.196 1.874 4.218 0.218 9 0 "[ . 1 . 2 .]" 1
977 3 35 LYS HG2 3 36 GLY H . . 5.500 4.437 2.584 5.703 0.203 25 0 "[ . 1 . 2 .]" 1
978 3 35 LYS HG3 3 36 GLY H . . 5.500 4.402 2.145 5.604 0.104 12 0 "[ . 1 . 2 .]" 1
979 3 36 GLY H 3 37 ARG H . . 3.000 2.493 1.779 3.228 0.228 2 0 "[ . 1 . 2 .]" 1
980 3 36 GLY H 3 37 ARG HA . . 5.000 4.879 4.062 5.133 0.133 23 0 "[ . 1 . 2 .]" 1
981 3 36 GLY HA2 3 37 ARG H . . 4.000 3.329 2.524 3.594 . 0 0 "[ . 1 . 2 .]" 1
982 3 36 GLY HA3 3 37 ARG H . . 4.000 3.085 2.613 3.598 . 0 0 "[ . 1 . 2 .]" 1
983 3 37 ARG H 3 38 ILE H . . 5.000 3.757 1.826 4.609 . 0 0 "[ . 1 . 2 .]" 1
984 3 37 ARG HA 3 38 ILE H . . 4.000 2.555 2.162 3.542 . 0 0 "[ . 1 . 2 .]" 1
985 3 37 ARG HA 3 41 GLN H . . 6.000 5.208 4.366 6.049 0.049 4 0 "[ . 1 . 2 .]" 1
986 3 37 ARG HB2 3 42 CYS H . . 5.500 4.684 3.643 5.535 0.035 18 0 "[ . 1 . 2 .]" 1
987 3 37 ARG HB3 3 38 ILE H . . 4.500 3.864 3.169 4.381 . 0 0 "[ . 1 . 2 .]" 1
988 3 37 ARG HB3 3 42 CYS H . . 6.500 3.873 2.454 6.031 . 0 0 "[ . 1 . 2 .]" 1
989 3 38 ILE HA 3 39 GLY H . . 4.000 2.593 2.070 3.625 . 0 0 "[ . 1 . 2 .]" 1
990 3 38 ILE HB 3 39 GLY H . . 4.500 3.034 1.929 4.516 0.016 16 0 "[ . 1 . 2 .]" 1
991 3 38 ILE HB 3 40 LYS H . . 5.500 3.979 2.771 5.593 0.093 18 0 "[ . 1 . 2 .]" 1
992 3 38 ILE HB 3 41 GLN H . . 6.500 4.444 2.444 6.112 . 0 0 "[ . 1 . 2 .]" 1
993 3 38 ILE MD 3 39 GLY H . . 5.500 3.741 1.894 4.990 . 0 0 "[ . 1 . 2 .]" 1
994 3 38 ILE MD 3 40 LYS H . . 6.000 3.619 1.830 5.287 . 0 0 "[ . 1 . 2 .]" 1
995 3 38 ILE MD 3 41 GLN H . . 5.500 3.773 2.183 5.007 . 0 0 "[ . 1 . 2 .]" 1
996 3 38 ILE QG 3 39 GLY H . . 6.500 3.576 1.846 4.868 . 0 0 "[ . 1 . 2 .]" 1
997 3 38 ILE QG 3 41 GLN H . . 6.500 3.855 1.851 5.711 . 0 0 "[ . 1 . 2 .]" 1
998 3 39 GLY H 3 40 LYS H . . 4.000 3.170 2.178 4.133 0.133 1 0 "[ . 1 . 2 .]" 1
999 3 39 GLY H 3 41 GLN QG . . 6.500 5.578 3.914 5.827 . 0 0 "[ . 1 . 2 .]" 1
1000 3 39 GLY HA2 3 40 LYS H . . 5.000 3.486 2.392 3.642 . 0 0 "[ . 1 . 2 .]" 1
1001 3 40 LYS H 3 41 GLN H . . 4.000 2.673 1.742 3.262 . 0 0 "[ . 1 . 2 .]" 1
1002 3 40 LYS H 3 41 GLN HG2 . . 6.500 5.133 3.447 6.577 0.077 20 0 "[ . 1 . 2 .]" 1
1003 3 40 LYS H 3 41 GLN HG3 . . 6.500 5.433 3.446 6.541 0.041 3 0 "[ . 1 . 2 .]" 1
1004 3 40 LYS H 3 43 ARG H . . 6.000 4.772 3.101 5.352 . 0 0 "[ . 1 . 2 .]" 1
1005 3 40 LYS HA 3 41 GLN H . . 5.000 3.539 2.866 3.657 . 0 0 "[ . 1 . 2 .]" 1
1006 3 40 LYS HA 3 43 ARG H . . 4.000 3.605 3.136 4.063 0.063 14 0 "[ . 1 . 2 .]" 1
1007 3 40 LYS HB2 3 41 GLN H . . 5.500 3.806 2.560 4.363 . 0 0 "[ . 1 . 2 .]" 1
1008 3 40 LYS HB3 3 41 GLN H . . 4.500 3.289 2.316 4.507 0.007 14 0 "[ . 1 . 2 .]" 1
1009 3 40 LYS HG2 3 41 GLN H . . 5.500 3.928 2.288 5.307 . 0 0 "[ . 1 . 2 .]" 1
1010 3 40 LYS HG3 3 41 GLN H . . 5.500 3.851 2.048 5.165 . 0 0 "[ . 1 . 2 .]" 1
1011 3 41 GLN H 3 42 CYS H . . 4.000 2.724 1.903 3.666 . 0 0 "[ . 1 . 2 .]" 1
1012 3 41 GLN HA 3 42 CYS H . . 5.000 3.565 2.510 3.647 . 0 0 "[ . 1 . 2 .]" 1
1013 3 41 GLN HA 3 45 ARG H . . 5.000 4.057 3.670 4.681 . 0 0 "[ . 1 . 2 .]" 1
1014 3 41 GLN QB 3 42 CYS H . . 5.500 2.608 2.275 3.904 . 0 0 "[ . 1 . 2 .]" 1
1015 3 41 GLN QG 3 42 CYS H . . 6.500 4.115 3.259 4.802 . 0 0 "[ . 1 . 2 .]" 1
1016 3 42 CYS HA 3 46 TRP H . . 5.000 4.116 3.626 4.708 . 0 0 "[ . 1 . 2 .]" 1
1017 3 42 CYS HB2 3 43 ARG H . . 5.500 2.996 2.273 4.073 . 0 0 "[ . 1 . 2 .]" 1
1018 3 42 CYS HB3 3 43 ARG H . . 5.500 3.807 3.379 4.235 . 0 0 "[ . 1 . 2 .]" 1
1019 3 43 ARG H 3 44 GLU H . . 4.000 2.718 2.556 3.145 . 0 0 "[ . 1 . 2 .]" 1
1020 3 43 ARG HA 3 44 GLU H . . 4.000 3.582 2.908 3.653 . 0 0 "[ . 1 . 2 .]" 1
1021 3 43 ARG HA 3 45 ARG H . . 6.000 4.638 4.170 5.133 . 0 0 "[ . 1 . 2 .]" 1
1022 3 43 ARG HA 3 46 TRP H . . 4.000 3.550 3.240 4.061 0.061 24 0 "[ . 1 . 2 .]" 1
1023 3 43 ARG HA 3 47 HIS H . . 5.000 3.727 3.114 5.037 0.037 22 0 "[ . 1 . 2 .]" 1
1024 3 43 ARG HA 3 47 HIS HD2 . . 5.500 4.723 2.116 5.506 0.006 12 0 "[ . 1 . 2 .]" 1
1025 3 43 ARG QB 3 44 GLU H . . 5.500 2.657 2.263 3.903 . 0 0 "[ . 1 . 2 .]" 1
1026 3 43 ARG HB2 3 47 HIS HD2 . . 6.500 5.100 2.149 6.048 . 0 0 "[ . 1 . 2 .]" 1
1027 3 43 ARG HB3 3 47 HIS HD2 . . 6.500 5.263 3.536 6.528 0.028 25 0 "[ . 1 . 2 .]" 1
1028 3 43 ARG QD 3 47 HIS HD1 . . 6.500 5.515 4.029 5.869 . 0 0 "[ . 1 . 2 .]" 1
1029 3 43 ARG HG2 3 47 HIS HD2 . . 5.500 3.170 2.241 4.894 . 0 0 "[ . 1 . 2 .]" 1
1030 3 43 ARG HG3 3 47 HIS HD2 . . 5.500 3.520 2.010 4.946 . 0 0 "[ . 1 . 2 .]" 1
1031 3 44 GLU H 3 45 ARG H . . 4.000 2.792 2.035 3.060 . 0 0 "[ . 1 . 2 .]" 1
1032 3 44 GLU H 3 46 TRP QB . . 6.500 4.933 3.697 5.359 . 0 0 "[ . 1 . 2 .]" 1
1033 3 44 GLU HA 3 45 ARG H . . 4.000 3.619 3.524 3.673 . 0 0 "[ . 1 . 2 .]" 1
1034 3 44 GLU QB 3 45 ARG H . . 5.500 2.645 2.216 3.646 . 0 0 "[ . 1 . 2 .]" 1
1035 3 45 ARG H 3 46 TRP H . . 4.000 2.711 2.468 2.966 . 0 0 "[ . 1 . 2 .]" 1
1036 3 45 ARG HA 3 46 TRP H . . 5.000 3.584 3.524 3.636 . 0 0 "[ . 1 . 2 .]" 1
1037 3 45 ARG HB3 3 46 TRP H . . 5.500 2.541 2.153 2.950 . 0 0 "[ . 1 . 2 .]" 1
1038 3 45 ARG HB3 3 46 TRP HZ3 . . 6.500 6.435 5.284 6.584 0.084 12 0 "[ . 1 . 2 .]" 1
1039 3 46 TRP H 3 47 HIS H . . 4.000 3.013 2.432 4.373 0.373 22 0 "[ . 1 . 2 .]" 1
1040 3 46 TRP QB 3 47 HIS HD1 . . 6.500 3.490 2.600 4.946 . 0 0 "[ . 1 . 2 .]" 1
1041 3 46 TRP HB2 3 47 HIS H . . 4.500 3.557 3.407 3.949 . 0 0 "[ . 1 . 2 .]" 1
1042 3 46 TRP HB3 3 47 HIS H . . 4.500 2.282 1.987 3.006 . 0 0 "[ . 1 . 2 .]" 1
1043 3 46 TRP HD1 3 47 HIS H . . 5.500 3.742 1.921 4.878 . 0 0 "[ . 1 . 2 .]" 1
1044 3 46 TRP HD1 3 47 HIS HD1 . . 4.500 2.538 1.807 3.704 . 0 0 "[ . 1 . 2 .]" 1
1045 3 46 TRP HD1 3 47 HIS HE1 . . 5.500 2.785 2.315 3.567 . 0 0 "[ . 1 . 2 .]" 1
1046 3 46 TRP HD1 3 50 LEU MD1 . . 8.000 6.321 5.407 6.703 . 0 0 "[ . 1 . 2 .]" 1
1047 3 46 TRP HD1 3 50 LEU MD2 . . 8.000 5.973 4.480 6.692 . 0 0 "[ . 1 . 2 .]" 1
1048 3 46 TRP HE1 3 51 ASN HB2 . . 5.500 4.449 2.377 5.533 0.033 17 0 "[ . 1 . 2 .]" 1
1049 3 46 TRP HE3 3 50 LEU MD1 . . 7.000 3.143 1.940 4.283 . 0 0 "[ . 1 . 2 .]" 1
1050 3 46 TRP HE3 3 50 LEU MD2 . . 7.000 2.528 1.902 4.119 . 0 0 "[ . 1 . 2 .]" 1
1051 3 46 TRP HH2 3 50 LEU MD1 . . 8.000 5.302 3.130 5.998 . 0 0 "[ . 1 . 2 .]" 1
1052 3 46 TRP HH2 3 50 LEU MD2 . . 8.000 3.795 3.017 5.918 . 0 0 "[ . 1 . 2 .]" 1
1053 3 46 TRP HZ2 3 50 LEU MD1 . . 8.000 6.202 4.380 6.696 . 0 0 "[ . 1 . 2 .]" 1
1054 3 46 TRP HZ2 3 50 LEU MD2 . . 8.000 4.899 3.926 6.684 . 0 0 "[ . 1 . 2 .]" 1
1055 3 46 TRP HZ2 3 51 ASN HB2 . . 5.500 4.959 3.194 5.619 0.119 6 0 "[ . 1 . 2 .]" 1
1056 3 46 TRP HZ3 3 50 LEU QB . . 6.500 3.945 2.570 5.409 . 0 0 "[ . 1 . 2 .]" 1
1057 3 46 TRP HZ3 3 50 LEU MD1 . . 7.000 3.750 2.006 4.580 . 0 0 "[ . 1 . 2 .]" 1
1058 3 46 TRP HZ3 3 50 LEU MD2 . . 7.000 2.475 1.950 4.578 . 0 0 "[ . 1 . 2 .]" 1
1059 3 47 HIS H 3 47 HIS HD1 . . 5.500 3.222 2.422 4.576 . 0 0 "[ . 1 . 2 .]" 1
1060 3 47 HIS H 3 48 ASN H . . 6.000 3.728 2.888 4.273 . 0 0 "[ . 1 . 2 .]" 1
1061 3 47 HIS QB 3 48 ASN H . . 6.500 3.889 3.706 3.969 . 0 0 "[ . 1 . 2 .]" 1
1062 3 47 HIS HD1 3 51 ASN H . . 5.500 5.072 4.007 5.603 0.103 23 0 "[ . 1 . 2 .]" 1
1063 3 47 HIS HD1 3 51 ASN QB . . 6.500 4.543 2.894 5.793 . 0 0 "[ . 1 . 2 .]" 1
1064 3 47 HIS HE1 3 89 THR MG . . 8.000 5.075 3.452 6.668 . 0 0 "[ . 1 . 2 .]" 1
1065 3 48 ASN H 3 49 HIS H . . 3.000 2.506 1.703 3.092 0.092 11 0 "[ . 1 . 2 .]" 1
1066 3 48 ASN HB2 3 49 HIS H . . 6.500 3.492 2.232 4.693 . 0 0 "[ . 1 . 2 .]" 1
1067 3 48 ASN HB3 3 49 HIS H . . 5.500 2.823 1.842 4.519 . 0 0 "[ . 1 . 2 .]" 1
1068 3 49 HIS HE1 3 54 VAL QG . . 9.400 5.742 3.183 6.983 . 0 0 "[ . 1 . 2 .]" 1
1069 3 50 LEU H 3 51 ASN HB2 . . 5.500 4.647 3.391 5.564 0.064 2 0 "[ . 1 . 2 .]" 1
1070 3 50 LEU H 3 51 ASN HB3 . . 5.500 5.213 4.265 5.568 0.068 23 0 "[ . 1 . 2 .]" 1
1071 3 50 LEU H 3 51 ASN HD21 . . 5.500 2.960 2.021 4.089 . 0 0 "[ . 1 . 2 .]" 1
1072 3 50 LEU HA 3 51 ASN H . . 4.000 3.541 3.406 3.615 . 0 0 "[ . 1 . 2 .]" 1
1073 3 50 LEU QB 3 51 ASN H . . 5.000 2.397 1.807 3.352 . 0 0 "[ . 1 . 2 .]" 1
1074 3 50 LEU HB2 3 51 ASN HD21 . . 4.500 4.347 3.591 5.060 0.560 22 1 "[ . 1 . 2 + .]" 1
1075 3 50 LEU HB2 3 51 ASN HD22 . . 6.500 4.932 3.532 6.446 . 0 0 "[ . 1 . 2 .]" 1
1076 3 50 LEU HB3 3 51 ASN HD21 . . 4.500 3.954 2.933 4.695 0.195 25 0 "[ . 1 . 2 .]" 1
1077 3 50 LEU HB3 3 51 ASN HD22 . . 6.500 4.739 3.725 5.671 . 0 0 "[ . 1 . 2 .]" 1
1078 3 50 LEU MD1 3 51 ASN H . . 7.000 4.338 3.153 5.248 . 0 0 "[ . 1 . 2 .]" 1
1079 3 50 LEU MD2 3 51 ASN H . . 7.000 3.840 2.447 5.052 . 0 0 "[ . 1 . 2 .]" 1
1080 3 51 ASN H 3 54 VAL QG . . 7.900 4.036 2.504 5.061 . 0 0 "[ . 1 . 2 .]" 1
1081 3 51 ASN HA 3 53 GLU H . . 4.000 3.604 3.007 4.471 0.471 5 0 "[ . 1 . 2 .]" 1
1082 3 51 ASN QB 3 53 GLU H . . 6.500 3.452 2.382 4.730 . 0 0 "[ . 1 . 2 .]" 1
1083 3 51 ASN QB 3 54 VAL H . . 6.500 3.642 1.948 5.545 . 0 0 "[ . 1 . 2 .]" 1
1084 3 51 ASN HD21 3 54 VAL QG . . 7.900 3.996 2.036 5.524 . 0 0 "[ . 1 . 2 .]" 1
1085 3 51 ASN HD21 3 89 THR MG . . 8.000 5.149 1.977 6.670 . 0 0 "[ . 1 . 2 .]" 1
1086 3 51 ASN HD22 3 54 VAL QG . . 7.900 4.301 2.372 5.868 . 0 0 "[ . 1 . 2 .]" 1
1087 3 52 PRO HA 3 53 GLU H . . 4.000 3.099 2.355 3.492 . 0 0 "[ . 1 . 2 .]" 1
1088 3 52 PRO HA 3 54 VAL H . . 4.000 3.929 3.272 4.260 0.260 24 0 "[ . 1 . 2 .]" 1
1089 3 52 PRO QB 3 53 GLU H . . 5.500 3.688 3.182 4.067 . 0 0 "[ . 1 . 2 .]" 1
1090 3 53 GLU H 3 54 VAL QG . . 7.900 3.915 3.215 5.013 . 0 0 "[ . 1 . 2 .]" 1
1091 3 53 GLU HA 3 54 VAL H . . 4.000 3.342 2.846 3.640 . 0 0 "[ . 1 . 2 .]" 1
1092 3 53 GLU HB2 3 54 VAL H . . 4.500 3.406 2.603 4.243 . 0 0 "[ . 1 . 2 .]" 1
1093 3 53 GLU HB3 3 54 VAL H . . 4.500 4.214 3.225 4.545 0.045 5 0 "[ . 1 . 2 .]" 1
1094 3 53 GLU HG2 3 54 VAL H . . 5.500 4.757 3.864 5.408 . 0 0 "[ . 1 . 2 .]" 1
1095 3 53 GLU HG3 3 54 VAL H . . 5.500 4.789 3.939 5.527 0.027 13 0 "[ . 1 . 2 .]" 1
1096 3 54 VAL H 3 55 LYS H . . 4.000 3.887 2.416 4.280 0.280 23 0 "[ . 1 . 2 .]" 1
1097 3 54 VAL HA 3 55 LYS H . . 3.000 2.415 2.045 3.363 0.363 24 0 "[ . 1 . 2 .]" 1
1098 3 54 VAL HB 3 55 LYS H . . 4.500 3.984 1.863 4.590 0.090 17 0 "[ . 1 . 2 .]" 1
1099 3 54 VAL QG 3 55 LYS H . . 7.900 3.024 1.616 3.775 . 0 0 "[ . 1 . 2 .]" 1
1100 3 54 VAL QG 3 89 THR H . . 8.400 4.263 3.247 5.514 . 0 0 "[ . 1 . 2 .]" 1
1101 3 54 VAL QG 3 90 ASP H . . 10.400 7.214 5.180 7.732 . 0 0 "[ . 1 . 2 .]" 1
1102 3 55 LYS H 3 56 LYS H . . 5.000 3.815 1.834 4.689 . 0 0 "[ . 1 . 2 .]" 1
1103 3 55 LYS HA 3 56 LYS H . . 4.000 2.599 2.154 3.626 . 0 0 "[ . 1 . 2 .]" 1
1104 3 56 LYS HA 3 57 THR H . . 4.000 2.647 2.126 3.629 . 0 0 "[ . 1 . 2 .]" 1
1105 3 56 LYS QB 3 57 THR H . . 5.000 3.193 1.779 4.063 . 0 0 "[ . 1 . 2 .]" 1
1106 3 56 LYS QG 3 57 THR H . . 5.500 3.546 1.863 4.853 . 0 0 "[ . 1 . 2 .]" 1
1107 3 58 SER HA 3 59 TRP H . . 3.000 2.619 2.131 3.133 0.133 20 0 "[ . 1 . 2 .]" 1
1108 3 58 SER HA 3 59 TRP HD1 . . 4.500 3.633 2.509 4.530 0.030 15 0 "[ . 1 . 2 .]" 1
1109 3 58 SER QB 3 60 THR H . . 7.500 5.967 5.258 6.645 . 0 0 "[ . 1 . 2 .]" 1
1110 3 58 SER HB2 3 59 TRP H . . 4.500 3.546 2.097 4.601 0.101 8 0 "[ . 1 . 2 .]" 1
1111 3 58 SER HB2 3 59 TRP HD1 . . 5.500 4.891 2.416 5.549 0.049 15 0 "[ . 1 . 2 .]" 1
1112 3 58 SER HB3 3 59 TRP H . . 4.500 3.420 2.087 4.602 0.102 19 0 "[ . 1 . 2 .]" 1
1113 3 58 SER HB3 3 59 TRP HD1 . . 5.500 4.840 2.848 5.525 0.025 4 0 "[ . 1 . 2 .]" 1
1114 3 59 TRP H 3 59 TRP HD1 . . 4.000 2.923 2.030 4.246 0.246 3 0 "[ . 1 . 2 .]" 1
1115 3 59 TRP HA 3 60 THR H . . 3.000 2.391 2.177 3.094 0.094 5 0 "[ . 1 . 2 .]" 1
1116 3 59 TRP HA 3 96 HIS HE1 . . 5.500 5.530 5.265 5.606 0.106 22 0 "[ . 1 . 2 .]" 1
1117 3 59 TRP HB2 3 60 THR H . . 4.500 3.846 2.399 4.395 . 0 0 "[ . 1 . 2 .]" 1
1118 3 59 TRP HB2 3 96 HIS HE1 . . 4.500 2.918 2.450 3.500 . 0 0 "[ . 1 . 2 .]" 1
1119 3 59 TRP HB3 3 60 THR H . . 4.500 2.896 1.818 3.691 . 0 0 "[ . 1 . 2 .]" 1
1120 3 59 TRP HB3 3 96 HIS HE1 . . 4.500 3.392 2.878 3.926 . 0 0 "[ . 1 . 2 .]" 1
1121 3 59 TRP HD1 3 96 HIS H . . 6.500 6.356 5.889 6.551 0.051 1 0 "[ . 1 . 2 .]" 1
1122 3 59 TRP HD1 3 96 HIS HD2 . . 6.500 5.451 4.657 6.013 . 0 0 "[ . 1 . 2 .]" 1
1123 3 59 TRP HD1 3 96 HIS HE1 . . 4.000 3.833 3.355 4.060 0.060 24 0 "[ . 1 . 2 .]" 1
1124 3 59 TRP HE1 3 92 ALA MB . . 7.000 3.999 3.273 4.990 . 0 0 "[ . 1 . 2 .]" 1
1125 3 59 TRP HE1 3 93 ILE MG . . 8.000 6.360 5.284 6.676 . 0 0 "[ . 1 . 2 .]" 1
1126 3 59 TRP HE1 3 95 ASN H . . 6.500 6.527 6.410 6.576 0.076 4 0 "[ . 1 . 2 .]" 1
1127 3 59 TRP HE1 3 96 HIS H . . 4.500 4.466 4.234 4.558 0.058 5 0 "[ . 1 . 2 .]" 1
1128 3 59 TRP HE1 3 96 HIS HB2 . . 4.500 2.055 1.825 2.450 . 0 0 "[ . 1 . 2 .]" 1
1129 3 59 TRP HE1 3 96 HIS HB3 . . 5.500 3.436 3.129 4.039 . 0 0 "[ . 1 . 2 .]" 1
1130 3 59 TRP HE1 3 96 HIS HD2 . . 5.500 4.852 4.424 5.338 . 0 0 "[ . 1 . 2 .]" 1
1131 3 59 TRP HE1 3 97 TRP H . . 6.500 5.766 5.456 6.337 . 0 0 "[ . 1 . 2 .]" 1
1132 3 59 TRP HE1 3 100 THR MG . . 7.000 5.474 4.624 5.869 . 0 0 "[ . 1 . 2 .]" 1
1133 3 59 TRP HE3 3 60 THR H . . 4.500 3.938 3.434 4.402 . 0 0 "[ . 1 . 2 .]" 1
1134 3 59 TRP HE3 3 63 GLU H . . 5.500 4.690 4.059 5.268 . 0 0 "[ . 1 . 2 .]" 1
1135 3 59 TRP HE3 3 63 GLU HA . . 5.500 3.888 3.546 4.184 . 0 0 "[ . 1 . 2 .]" 1
1136 3 59 TRP HE3 3 63 GLU HG2 . . 5.500 3.814 2.358 5.084 . 0 0 "[ . 1 . 2 .]" 1
1137 3 59 TRP HE3 3 63 GLU HG3 . . 5.500 4.060 2.210 5.168 . 0 0 "[ . 1 . 2 .]" 1
1138 3 59 TRP HE3 3 64 ASP H . . 6.500 3.837 2.837 4.930 . 0 0 "[ . 1 . 2 .]" 1
1139 3 59 TRP HE3 3 67 ILE MD . . 6.000 2.828 2.181 4.870 . 0 0 "[ . 1 . 2 .]" 1
1140 3 59 TRP HE3 3 85 LEU MD1 . . 7.000 5.224 4.068 5.846 . 0 0 "[ . 1 . 2 .]" 1
1141 3 59 TRP HE3 3 85 LEU MD2 . . 7.000 4.945 4.076 5.850 . 0 0 "[ . 1 . 2 .]" 1
1142 3 59 TRP HE3 3 96 HIS HD2 . . 5.500 4.738 3.487 5.508 0.008 25 0 "[ . 1 . 2 .]" 1
1143 3 59 TRP HE3 3 96 HIS HE1 . . 5.500 5.322 4.769 5.551 0.051 3 0 "[ . 1 . 2 .]" 1
1144 3 59 TRP HH2 3 66 ILE HB . . 4.500 4.684 4.571 4.764 0.264 24 0 "[ . 1 . 2 .]" 1
1145 3 59 TRP HH2 3 67 ILE MD . . 7.000 3.544 2.077 4.554 . 0 0 "[ . 1 . 2 .]" 1
1146 3 59 TRP HH2 3 85 LEU MD1 . . 6.000 3.754 2.165 4.877 . 0 0 "[ . 1 . 2 .]" 1
1147 3 59 TRP HH2 3 85 LEU MD2 . . 6.000 3.107 2.039 4.688 . 0 0 "[ . 1 . 2 .]" 1
1148 3 59 TRP HH2 3 88 ARG H . . 5.500 5.378 4.861 5.580 0.080 18 0 "[ . 1 . 2 .]" 1
1149 3 59 TRP HH2 3 88 ARG HB2 . . 5.500 3.033 2.544 3.370 . 0 0 "[ . 1 . 2 .]" 1
1150 3 59 TRP HH2 3 88 ARG HB3 . . 4.500 2.973 2.304 3.809 . 0 0 "[ . 1 . 2 .]" 1
1151 3 59 TRP HH2 3 88 ARG HD2 . . 5.500 3.903 2.756 5.154 . 0 0 "[ . 1 . 2 .]" 1
1152 3 59 TRP HH2 3 88 ARG HD3 . . 5.500 3.907 2.952 5.125 . 0 0 "[ . 1 . 2 .]" 1
1153 3 59 TRP HH2 3 92 ALA MB . . 6.000 3.976 3.553 4.121 . 0 0 "[ . 1 . 2 .]" 1
1154 3 59 TRP HH2 3 93 ILE H . . 4.500 4.062 3.398 4.646 0.146 18 0 "[ . 1 . 2 .]" 1
1155 3 59 TRP HH2 3 93 ILE HA . . 4.500 2.930 2.570 3.465 . 0 0 "[ . 1 . 2 .]" 1
1156 3 59 TRP HH2 3 93 ILE HB . . 4.500 2.660 2.127 4.127 . 0 0 "[ . 1 . 2 .]" 1
1157 3 59 TRP HH2 3 93 ILE MD . . 7.000 3.549 2.117 4.806 . 0 0 "[ . 1 . 2 .]" 1
1158 3 59 TRP HH2 3 93 ILE QG . . 4.500 2.682 1.964 3.567 . 0 0 "[ . 1 . 2 .]" 1
1159 3 59 TRP HH2 3 96 HIS HB2 . . 5.500 5.474 4.940 5.558 0.058 9 0 "[ . 1 . 2 .]" 1
1160 3 59 TRP HH2 3 96 HIS HD2 . . 5.500 4.917 4.054 5.504 0.004 10 0 "[ . 1 . 2 .]" 1
1161 3 59 TRP HZ2 3 95 ASN H . . 6.500 5.975 5.658 6.285 . 0 0 "[ . 1 . 2 .]" 1
1162 3 59 TRP HZ2 3 96 HIS HD2 . . 6.500 4.598 3.906 5.239 . 0 0 "[ . 1 . 2 .]" 1
1163 3 59 TRP HZ3 3 60 THR H . . 6.500 6.225 5.686 6.550 0.050 7 0 "[ . 1 . 2 .]" 1
1164 3 59 TRP HZ3 3 66 ILE HB . . 4.500 2.892 2.461 3.678 . 0 0 "[ . 1 . 2 .]" 1
1165 3 59 TRP HZ3 3 67 ILE MD . . 7.000 2.709 1.951 4.097 . 0 0 "[ . 1 . 2 .]" 1
1166 3 59 TRP HZ3 3 85 LEU MD1 . . 6.000 3.477 2.217 4.448 . 0 0 "[ . 1 . 2 .]" 1
1167 3 59 TRP HZ3 3 85 LEU MD2 . . 6.000 3.102 2.165 4.189 . 0 0 "[ . 1 . 2 .]" 1
1168 3 59 TRP HZ3 3 88 ARG HB2 . . 4.500 4.420 3.793 4.599 0.099 11 0 "[ . 1 . 2 .]" 1
1169 3 59 TRP HZ3 3 88 ARG HB3 . . 5.500 4.925 4.322 5.517 0.017 15 0 "[ . 1 . 2 .]" 1
1170 3 59 TRP HZ3 3 88 ARG HD2 . . 5.500 4.436 3.050 5.521 0.021 19 0 "[ . 1 . 2 .]" 1
1171 3 59 TRP HZ3 3 88 ARG HD3 . . 5.500 4.500 3.042 5.560 0.060 23 0 "[ . 1 . 2 .]" 1
1172 3 59 TRP HZ3 3 88 ARG QG . . 6.500 4.654 2.914 5.798 . 0 0 "[ . 1 . 2 .]" 1
1173 3 59 TRP HZ3 3 92 ALA MB . . 7.000 5.836 5.428 5.880 . 0 0 "[ . 1 . 2 .]" 1
1174 3 59 TRP HZ3 3 93 ILE HA . . 5.500 4.737 4.310 5.171 . 0 0 "[ . 1 . 2 .]" 1
1175 3 59 TRP HZ3 3 93 ILE HB . . 5.500 4.767 4.181 5.701 0.201 16 0 "[ . 1 . 2 .]" 1
1176 3 59 TRP HZ3 3 93 ILE MD . . 7.000 4.387 2.438 5.832 . 0 0 "[ . 1 . 2 .]" 1
1177 3 59 TRP HZ3 3 93 ILE QG . . 4.500 3.804 2.797 4.464 . 0 0 "[ . 1 . 2 .]" 1
1178 3 59 TRP HZ3 3 93 ILE MG . . 7.000 5.374 2.626 5.863 . 0 0 "[ . 1 . 2 .]" 1
1179 3 59 TRP HZ3 3 96 HIS HD2 . . 5.500 4.986 4.121 5.524 0.024 18 0 "[ . 1 . 2 .]" 1
1180 3 60 THR H 3 62 GLU H . . 6.000 4.155 2.900 5.113 . 0 0 "[ . 1 . 2 .]" 1
1181 3 60 THR H 3 63 GLU H . . 5.000 3.011 2.350 3.844 . 0 0 "[ . 1 . 2 .]" 1
1182 3 60 THR H 3 63 GLU QB . . 5.500 2.323 1.678 3.302 . 0 0 "[ . 1 . 2 .]" 1
1183 3 60 THR H 3 63 GLU HG2 . . 5.500 4.599 3.550 5.519 0.019 5 0 "[ . 1 . 2 .]" 1
1184 3 60 THR H 3 63 GLU HG3 . . 5.500 4.310 2.651 5.514 0.014 1 0 "[ . 1 . 2 .]" 1
1185 3 60 THR H 3 64 ASP H . . 5.000 2.856 2.342 3.554 . 0 0 "[ . 1 . 2 .]" 1
1186 3 60 THR H 3 65 ARG QG . . 6.500 5.840 5.800 5.901 . 0 0 "[ . 1 . 2 .]" 1
1187 3 60 THR HA 3 61 GLU H . . 4.000 2.886 2.030 3.641 . 0 0 "[ . 1 . 2 .]" 1
1188 3 60 THR MG 3 61 GLU H . . 7.000 2.777 1.775 4.358 . 0 0 "[ . 1 . 2 .]" 1
1189 3 60 THR MG 3 62 GLU H . . 6.000 3.237 1.930 5.026 . 0 0 "[ . 1 . 2 .]" 1
1190 3 60 THR MG 3 63 GLU H . . 6.000 4.111 2.277 5.051 . 0 0 "[ . 1 . 2 .]" 1
1191 3 61 GLU H 3 62 GLU H . . 3.000 2.804 1.866 3.291 0.291 15 0 "[ . 1 . 2 .]" 1
1192 3 61 GLU H 3 63 GLU H . . 5.000 3.758 2.443 4.667 . 0 0 "[ . 1 . 2 .]" 1
1193 3 61 GLU HA 3 64 ASP H . . 4.000 3.717 3.278 4.157 0.157 5 0 "[ . 1 . 2 .]" 1
1194 3 62 GLU H 3 63 GLU H . . 3.000 2.586 1.938 3.183 0.183 20 0 "[ . 1 . 2 .]" 1
1195 3 62 GLU HA 3 63 GLU H . . 4.000 3.387 2.790 3.599 . 0 0 "[ . 1 . 2 .]" 1
1196 3 62 GLU HA 3 65 ARG H . . 4.000 4.006 3.457 4.211 0.211 5 0 "[ . 1 . 2 .]" 1
1197 3 62 GLU HB2 3 63 GLU H . . 4.500 3.548 2.595 4.570 0.070 23 0 "[ . 1 . 2 .]" 1
1198 3 62 GLU HB3 3 63 GLU H . . 4.500 3.731 2.164 4.526 0.026 8 0 "[ . 1 . 2 .]" 1
1199 3 63 GLU H 3 64 ASP H . . 3.000 2.139 1.760 2.828 . 0 0 "[ . 1 . 2 .]" 1
1200 3 63 GLU H 3 66 ILE MD . . 7.000 5.445 4.190 6.041 . 0 0 "[ . 1 . 2 .]" 1
1201 3 63 GLU HA 3 64 ASP H . . 5.000 3.544 3.219 3.612 . 0 0 "[ . 1 . 2 .]" 1
1202 3 63 GLU HA 3 66 ILE H . . 4.000 3.309 3.109 3.792 . 0 0 "[ . 1 . 2 .]" 1
1203 3 63 GLU HA 3 67 ILE H . . 5.000 5.063 4.956 5.124 0.124 15 0 "[ . 1 . 2 .]" 1
1204 3 63 GLU QB 3 64 ASP H . . 5.500 2.832 2.551 3.557 . 0 0 "[ . 1 . 2 .]" 1
1205 3 63 GLU QG 3 64 ASP H . . 5.500 4.183 3.661 4.608 . 0 0 "[ . 1 . 2 .]" 1
1206 3 64 ASP H 3 65 ARG H . . 3.000 2.619 2.226 2.753 . 0 0 "[ . 1 . 2 .]" 1
1207 3 64 ASP H 3 65 ARG QB . . 5.500 4.855 4.695 4.923 . 0 0 "[ . 1 . 2 .]" 1
1208 3 64 ASP H 3 66 ILE H . . 5.000 4.185 4.002 4.593 . 0 0 "[ . 1 . 2 .]" 1
1209 3 64 ASP H 3 67 ILE MD . . 7.000 4.604 3.880 6.475 . 0 0 "[ . 1 . 2 .]" 1
1210 3 64 ASP HA 3 65 ARG H . . 5.000 3.515 3.407 3.578 . 0 0 "[ . 1 . 2 .]" 1
1211 3 64 ASP HA 3 96 HIS HD2 . . 5.500 4.820 3.564 5.513 0.013 15 0 "[ . 1 . 2 .]" 1
1212 3 64 ASP HB2 3 65 ARG H . . 4.000 3.595 2.803 4.094 0.094 7 0 "[ . 1 . 2 .]" 1
1213 3 64 ASP HB3 3 65 ARG H . . 4.000 3.388 2.692 4.098 0.098 15 0 "[ . 1 . 2 .]" 1
1214 3 65 ARG H 3 66 ILE H . . 3.000 2.573 2.327 2.772 . 0 0 "[ . 1 . 2 .]" 1
1215 3 65 ARG H 3 66 ILE HA . . 6.000 5.164 4.929 5.364 . 0 0 "[ . 1 . 2 .]" 1
1216 3 65 ARG H 3 66 ILE HG13 . . 5.500 5.435 4.473 5.637 0.137 18 0 "[ . 1 . 2 .]" 1
1217 3 65 ARG H 3 66 ILE MG . . 7.000 5.835 5.603 5.882 . 0 0 "[ . 1 . 2 .]" 1
1218 3 65 ARG H 3 67 ILE H . . 5.000 4.439 3.928 4.955 . 0 0 "[ . 1 . 2 .]" 1
1219 3 65 ARG H 3 68 TYR QD . . 7.500 6.323 5.096 6.699 . 0 0 "[ . 1 . 2 .]" 1
1220 3 65 ARG HA 3 66 ILE H . . 4.000 3.532 3.463 3.611 . 0 0 "[ . 1 . 2 .]" 1
1221 3 65 ARG HA 3 67 ILE H . . 5.000 4.536 3.895 5.020 0.020 16 0 "[ . 1 . 2 .]" 1
1222 3 65 ARG HA 3 68 TYR H . . 4.000 3.496 3.142 3.924 . 0 0 "[ . 1 . 2 .]" 1
1223 3 65 ARG HA 3 68 TYR QD . . 6.500 3.893 2.403 4.606 . 0 0 "[ . 1 . 2 .]" 1
1224 3 65 ARG HA 3 68 TYR QE . . 7.500 5.812 2.568 6.683 . 0 0 "[ . 1 . 2 .]" 1
1225 3 65 ARG HA 3 69 GLN H . . 5.000 3.925 3.395 4.566 . 0 0 "[ . 1 . 2 .]" 1
1226 3 65 ARG HA 3 69 GLN HE21 . . 5.500 4.576 3.461 5.544 0.044 14 0 "[ . 1 . 2 .]" 1
1227 3 65 ARG QB 3 66 ILE H . . 5.000 3.333 2.479 3.748 . 0 0 "[ . 1 . 2 .]" 1
1228 3 65 ARG QD 3 66 ILE H . . 5.500 4.508 4.010 4.953 . 0 0 "[ . 1 . 2 .]" 1
1229 3 65 ARG QG 3 67 ILE H . . 7.500 4.921 4.272 5.790 . 0 0 "[ . 1 . 2 .]" 1
1230 3 65 ARG QG 3 69 GLN H . . 6.500 5.603 5.204 5.846 . 0 0 "[ . 1 . 2 .]" 1
1231 3 65 ARG HG2 3 66 ILE H . . 4.500 3.438 2.645 4.570 0.070 7 0 "[ . 1 . 2 .]" 1
1232 3 65 ARG HG3 3 66 ILE H . . 4.500 2.950 2.087 4.611 0.111 6 0 "[ . 1 . 2 .]" 1
1233 3 66 ILE H 3 67 ILE H . . 3.000 2.703 2.464 2.947 . 0 0 "[ . 1 . 2 .]" 1
1234 3 66 ILE H 3 68 TYR H . . 5.000 4.141 3.690 4.857 . 0 0 "[ . 1 . 2 .]" 1
1235 3 66 ILE H 3 69 GLN H . . 5.000 4.909 4.681 5.023 0.023 4 0 "[ . 1 . 2 .]" 1
1236 3 66 ILE H 3 70 ALA H . . 6.000 5.752 5.256 6.008 0.008 10 0 "[ . 1 . 2 .]" 1
1237 3 66 ILE HA 3 67 ILE H . . 5.000 3.583 3.479 3.631 . 0 0 "[ . 1 . 2 .]" 1
1238 3 66 ILE HA 3 69 GLN H . . 4.000 3.924 3.485 4.078 0.078 3 0 "[ . 1 . 2 .]" 1
1239 3 66 ILE HA 3 70 ALA H . . 5.000 3.706 2.903 4.064 . 0 0 "[ . 1 . 2 .]" 1
1240 3 66 ILE HB 3 67 ILE H . . 4.500 2.462 2.156 3.308 . 0 0 "[ . 1 . 2 .]" 1
1241 3 66 ILE MD 3 69 GLN H . . 7.000 5.297 4.712 5.541 . 0 0 "[ . 1 . 2 .]" 1
1242 3 66 ILE MD 3 70 ALA H . . 6.000 5.180 4.062 5.589 . 0 0 "[ . 1 . 2 .]" 1
1243 3 66 ILE MG 3 67 ILE H . . 6.000 3.497 2.920 4.172 . 0 0 "[ . 1 . 2 .]" 1
1244 3 67 ILE H 3 68 TYR H . . 3.000 2.724 2.152 3.053 0.053 12 0 "[ . 1 . 2 .]" 1
1245 3 67 ILE H 3 68 TYR QB . . 6.500 4.376 3.823 5.057 . 0 0 "[ . 1 . 2 .]" 1
1246 3 67 ILE H 3 68 TYR QD . . 7.500 6.204 4.262 6.489 . 0 0 "[ . 1 . 2 .]" 1
1247 3 67 ILE H 3 101 MET ME . . 8.000 4.809 3.838 5.861 . 0 0 "[ . 1 . 2 .]" 1
1248 3 67 ILE HA 3 68 TYR H . . 5.000 3.584 3.323 3.650 . 0 0 "[ . 1 . 2 .]" 1
1249 3 67 ILE HA 3 70 ALA H . . 5.000 3.786 3.318 4.713 . 0 0 "[ . 1 . 2 .]" 1
1250 3 67 ILE HB 3 68 TYR H . . 4.000 2.792 2.117 3.743 . 0 0 "[ . 1 . 2 .]" 1
1251 3 67 ILE HB 3 96 HIS HD2 . . 4.500 3.828 2.699 4.507 0.007 9 0 "[ . 1 . 2 .]" 1
1252 3 67 ILE MD 3 68 TYR H . . 6.000 3.652 2.477 4.738 . 0 0 "[ . 1 . 2 .]" 1
1253 3 67 ILE MD 3 69 GLN H . . 8.000 5.519 4.955 6.799 . 0 0 "[ . 1 . 2 .]" 1
1254 3 67 ILE MD 3 96 HIS HD2 . . 5.500 2.506 1.831 3.934 . 0 0 "[ . 1 . 2 .]" 1
1255 3 67 ILE MD 3 97 TRP H . . 7.000 4.765 2.477 6.076 . 0 0 "[ . 1 . 2 .]" 1
1256 3 67 ILE HG13 3 68 TYR H . . 5.500 4.352 3.083 5.100 . 0 0 "[ . 1 . 2 .]" 1
1257 3 67 ILE MG 3 68 TYR H . . 6.000 3.568 1.769 4.463 . 0 0 "[ . 1 . 2 .]" 1
1258 3 67 ILE MG 3 71 HIS H . . 7.000 3.867 3.061 4.612 . 0 0 "[ . 1 . 2 .]" 1
1259 3 67 ILE MG 3 72 LYS H . . 7.000 5.597 4.754 5.871 . 0 0 "[ . 1 . 2 .]" 1
1260 3 67 ILE MG 3 78 TRP HH2 . . 8.000 4.415 3.648 5.808 . 0 0 "[ . 1 . 2 .]" 1
1261 3 67 ILE MG 3 78 TRP HZ3 . . 6.000 3.050 2.192 4.963 . 0 0 "[ . 1 . 2 .]" 1
1262 3 67 ILE MG 3 96 HIS HD2 . . 6.000 2.853 2.079 4.031 . 0 0 "[ . 1 . 2 .]" 1
1263 3 67 ILE MG 3 97 TRP H . . 7.000 3.875 3.093 5.096 . 0 0 "[ . 1 . 2 .]" 1
1264 3 67 ILE MG 3 97 TRP HD1 . . 7.000 5.180 4.715 5.902 . 0 0 "[ . 1 . 2 .]" 1
1265 3 67 ILE MG 3 97 TRP HE3 . . 6.000 2.024 1.811 2.302 . 0 0 "[ . 1 . 2 .]" 1
1266 3 67 ILE MG 3 97 TRP HH2 . . 6.000 4.448 3.633 5.010 . 0 0 "[ . 1 . 2 .]" 1
1267 3 67 ILE MG 3 97 TRP HZ2 . . 7.000 5.184 4.646 5.745 . 0 0 "[ . 1 . 2 .]" 1
1268 3 67 ILE MG 3 97 TRP HZ3 . . 6.000 2.945 1.967 3.456 . 0 0 "[ . 1 . 2 .]" 1
1269 3 68 TYR H 3 69 GLN H . . 3.000 2.882 2.052 3.083 0.083 17 0 "[ . 1 . 2 .]" 1
1270 3 68 TYR H 3 69 GLN HA . . 6.000 5.458 4.776 5.593 . 0 0 "[ . 1 . 2 .]" 1
1271 3 68 TYR H 3 97 TRP HH2 . . 5.500 5.427 4.739 5.586 0.086 24 0 "[ . 1 . 2 .]" 1
1272 3 68 TYR H 3 101 MET ME . . 6.000 3.635 2.438 4.690 . 0 0 "[ . 1 . 2 .]" 1
1273 3 68 TYR HA 3 69 GLN H . . 5.000 3.605 3.402 3.638 . 0 0 "[ . 1 . 2 .]" 1
1274 3 68 TYR HA 3 71 HIS H . . 5.000 4.212 3.203 4.791 . 0 0 "[ . 1 . 2 .]" 1
1275 3 68 TYR HA 3 72 LYS H . . 5.000 4.544 3.534 5.040 0.040 10 0 "[ . 1 . 2 .]" 1
1276 3 68 TYR HA 3 97 TRP HE3 . . 6.500 4.942 4.208 5.698 . 0 0 "[ . 1 . 2 .]" 1
1277 3 68 TYR HA 3 97 TRP HH2 . . 4.000 3.170 2.529 3.852 . 0 0 "[ . 1 . 2 .]" 1
1278 3 68 TYR HA 3 97 TRP HZ3 . . 4.000 2.807 2.062 3.727 . 0 0 "[ . 1 . 2 .]" 1
1279 3 68 TYR QB 3 69 GLN HE21 . . 6.500 4.274 2.184 5.799 . 0 0 "[ . 1 . 2 .]" 1
1280 3 68 TYR QB 3 70 ALA H . . 6.500 4.818 4.547 5.320 . 0 0 "[ . 1 . 2 .]" 1
1281 3 68 TYR HB2 3 69 GLN H . . 4.500 3.859 3.448 4.205 . 0 0 "[ . 1 . 2 .]" 1
1282 3 68 TYR HB2 3 97 TRP HH2 . . 5.500 4.733 3.069 5.506 0.006 19 0 "[ . 1 . 2 .]" 1
1283 3 68 TYR HB2 3 97 TRP HZ3 . . 5.500 3.744 3.089 4.409 . 0 0 "[ . 1 . 2 .]" 1
1284 3 68 TYR HB3 3 69 GLN H . . 4.500 2.595 2.224 3.838 . 0 0 "[ . 1 . 2 .]" 1
1285 3 68 TYR HB3 3 97 TRP HZ3 . . 5.500 4.957 2.321 5.515 0.015 11 0 "[ . 1 . 2 .]" 1
1286 3 68 TYR QD 3 69 GLN H . . 6.000 3.500 2.710 4.769 . 0 0 "[ . 1 . 2 .]" 1
1287 3 68 TYR QD 3 69 GLN HA . . 6.500 3.685 2.974 4.710 . 0 0 "[ . 1 . 2 .]" 1
1288 3 68 TYR QD 3 69 GLN QB . . 7.500 3.889 2.489 5.213 . 0 0 "[ . 1 . 2 .]" 1
1289 3 68 TYR QD 3 69 GLN HG2 . . 7.500 4.473 2.735 6.673 . 0 0 "[ . 1 . 2 .]" 1
1290 3 68 TYR QD 3 69 GLN HG3 . . 7.500 4.422 2.396 5.864 . 0 0 "[ . 1 . 2 .]" 1
1291 3 68 TYR QD 3 70 ALA H . . 7.500 5.662 5.012 6.663 . 0 0 "[ . 1 . 2 .]" 1
1292 3 68 TYR QD 3 72 LYS H . . 7.500 5.579 4.848 6.171 . 0 0 "[ . 1 . 2 .]" 1
1293 3 68 TYR QD 3 72 LYS QE . . 8.500 4.336 2.596 6.151 . 0 0 "[ . 1 . 2 .]" 1
1294 3 68 TYR QD 3 97 TRP HZ2 . . 7.500 5.803 4.753 6.701 . 0 0 "[ . 1 . 2 .]" 1
1295 3 68 TYR QD 3 101 MET ME . . 8.000 3.623 2.243 4.362 . 0 0 "[ . 1 . 2 .]" 1
1296 3 68 TYR QD 3 105 VAL QG . . 10.900 4.341 2.251 7.210 . 0 0 "[ . 1 . 2 .]" 1
1297 3 68 TYR QE 3 69 GLN H . . 8.500 5.556 3.864 6.710 . 0 0 "[ . 1 . 2 .]" 1
1298 3 68 TYR QE 3 69 GLN HA . . 7.500 4.878 4.005 6.244 . 0 0 "[ . 1 . 2 .]" 1
1299 3 68 TYR QE 3 69 GLN QG . . 7.500 5.160 3.576 5.968 . 0 0 "[ . 1 . 2 .]" 1
1300 3 68 TYR QE 3 72 LYS QD . . 7.500 4.079 2.977 5.960 . 0 0 "[ . 1 . 2 .]" 1
1301 3 68 TYR QE 3 72 LYS QE . . 7.500 3.645 2.524 5.546 . 0 0 "[ . 1 . 2 .]" 1
1302 3 68 TYR QE 3 101 MET ME . . 8.000 5.246 3.064 5.941 . 0 0 "[ . 1 . 2 .]" 1
1303 3 68 TYR QE 3 105 VAL QG . . 10.900 4.358 2.176 7.209 . 0 0 "[ . 1 . 2 .]" 1
1304 3 69 GLN H 3 70 ALA H . . 3.000 2.583 2.235 2.897 . 0 0 "[ . 1 . 2 .]" 1
1305 3 69 GLN H 3 70 ALA MB . . 6.000 4.216 3.896 4.560 . 0 0 "[ . 1 . 2 .]" 1
1306 3 69 GLN H 3 71 HIS H . . 5.000 3.981 2.827 4.373 . 0 0 "[ . 1 . 2 .]" 1
1307 3 69 GLN H 3 72 LYS H . . 5.000 4.640 3.658 5.016 0.016 10 0 "[ . 1 . 2 .]" 1
1308 3 69 GLN H 3 72 LYS QB . . 5.500 4.737 4.122 4.938 . 0 0 "[ . 1 . 2 .]" 1
1309 3 69 GLN HA 3 70 ALA H . . 4.000 3.610 3.562 3.662 . 0 0 "[ . 1 . 2 .]" 1
1310 3 69 GLN HA 3 71 HIS H . . 5.000 4.478 3.958 5.013 0.013 9 0 "[ . 1 . 2 .]" 1
1311 3 69 GLN HA 3 72 LYS H . . 5.000 3.460 3.031 3.911 . 0 0 "[ . 1 . 2 .]" 1
1312 3 69 GLN HA 3 73 ARG H . . 5.000 5.054 5.017 5.103 0.103 12 0 "[ . 1 . 2 .]" 1
1313 3 69 GLN HB2 3 70 ALA H . . 4.500 3.123 2.063 4.018 . 0 0 "[ . 1 . 2 .]" 1
1314 3 69 GLN HB3 3 70 ALA H . . 4.000 3.144 2.310 3.940 . 0 0 "[ . 1 . 2 .]" 1
1315 3 69 GLN HB3 3 71 HIS H . . 5.500 5.349 4.689 5.588 0.088 7 0 "[ . 1 . 2 .]" 1
1316 3 69 GLN HE21 3 70 ALA H . . 5.500 4.806 3.285 5.543 0.043 14 0 "[ . 1 . 2 .]" 1
1317 3 69 GLN HG2 3 70 ALA H . . 5.500 4.157 1.948 5.034 . 0 0 "[ . 1 . 2 .]" 1
1318 3 69 GLN HG3 3 70 ALA H . . 5.500 4.159 2.535 5.087 . 0 0 "[ . 1 . 2 .]" 1
1319 3 70 ALA H 3 71 HIS H . . 3.000 2.757 2.493 3.053 0.053 1 0 "[ . 1 . 2 .]" 1
1320 3 70 ALA H 3 72 LYS H . . 5.000 4.065 3.911 4.264 . 0 0 "[ . 1 . 2 .]" 1
1321 3 70 ALA H 3 72 LYS QB . . 5.500 4.858 4.649 4.968 . 0 0 "[ . 1 . 2 .]" 1
1322 3 70 ALA H 3 73 ARG H . . 6.000 5.231 5.039 5.517 . 0 0 "[ . 1 . 2 .]" 1
1323 3 70 ALA H 3 74 LEU MD1 . . 7.000 5.303 4.712 5.837 . 0 0 "[ . 1 . 2 .]" 1
1324 3 70 ALA H 3 74 LEU QD . . 9.400 5.147 4.643 5.713 . 0 0 "[ . 1 . 2 .]" 1
1325 3 70 ALA HA 3 71 HIS H . . 4.000 3.584 3.518 3.648 . 0 0 "[ . 1 . 2 .]" 1
1326 3 70 ALA HA 3 73 ARG H . . 4.000 3.664 3.383 4.018 0.018 1 0 "[ . 1 . 2 .]" 1
1327 3 70 ALA HA 3 74 LEU H . . 6.000 3.946 3.495 4.568 . 0 0 "[ . 1 . 2 .]" 1
1328 3 70 ALA MB 3 71 HIS H . . 5.500 2.558 2.272 3.031 . 0 0 "[ . 1 . 2 .]" 1
1329 3 71 HIS H 3 72 LYS H . . 3.000 2.598 2.339 2.836 . 0 0 "[ . 1 . 2 .]" 1
1330 3 71 HIS H 3 72 LYS QB . . 5.500 4.325 4.027 4.683 . 0 0 "[ . 1 . 2 .]" 1
1331 3 71 HIS H 3 73 ARG H . . 5.000 4.123 3.886 4.570 . 0 0 "[ . 1 . 2 .]" 1
1332 3 71 HIS H 3 74 LEU QD . . 9.400 4.915 4.291 5.865 . 0 0 "[ . 1 . 2 .]" 1
1333 3 71 HIS H 3 75 GLY H . . 5.000 4.758 4.352 5.120 0.120 15 0 "[ . 1 . 2 .]" 1
1334 3 71 HIS H 3 81 ILE MD . . 6.000 3.500 2.786 4.132 . 0 0 "[ . 1 . 2 .]" 1
1335 3 71 HIS H 3 81 ILE MG . . 7.000 4.377 3.592 5.790 . 0 0 "[ . 1 . 2 .]" 1
1336 3 71 HIS HA 3 72 LYS H . . 5.000 3.524 3.334 3.594 . 0 0 "[ . 1 . 2 .]" 1
1337 3 71 HIS HA 3 73 ARG H . . 5.000 3.737 3.541 4.178 . 0 0 "[ . 1 . 2 .]" 1
1338 3 71 HIS HA 3 74 LEU H . . 4.000 3.329 3.014 3.808 . 0 0 "[ . 1 . 2 .]" 1
1339 3 71 HIS HA 3 75 GLY H . . 3.000 2.221 1.886 2.704 . 0 0 "[ . 1 . 2 .]" 1
1340 3 71 HIS HA 3 78 TRP HH2 . . 6.500 5.490 5.110 5.825 . 0 0 "[ . 1 . 2 .]" 1
1341 3 71 HIS HA 3 78 TRP HZ3 . . 5.500 4.873 4.281 5.250 . 0 0 "[ . 1 . 2 .]" 1
1342 3 71 HIS HB2 3 72 LYS H . . 4.500 4.061 3.863 4.335 . 0 0 "[ . 1 . 2 .]" 1
1343 3 71 HIS HB2 3 73 ARG H . . 6.500 5.540 5.338 6.042 . 0 0 "[ . 1 . 2 .]" 1
1344 3 71 HIS HB2 3 78 TRP HH2 . . 4.500 4.484 4.063 4.582 0.082 7 0 "[ . 1 . 2 .]" 1
1345 3 71 HIS HB2 3 78 TRP HZ3 . . 5.500 3.610 3.084 4.088 . 0 0 "[ . 1 . 2 .]" 1
1346 3 71 HIS HB2 3 97 TRP HH2 . . 5.500 4.820 3.998 5.532 0.032 14 0 "[ . 1 . 2 .]" 1
1347 3 71 HIS HB2 3 97 TRP HZ3 . . 5.500 4.530 3.827 5.354 . 0 0 "[ . 1 . 2 .]" 1
1348 3 71 HIS HB3 3 72 LYS H . . 4.500 2.890 2.493 3.604 . 0 0 "[ . 1 . 2 .]" 1
1349 3 71 HIS HD2 3 75 GLY HA2 . . 4.500 3.252 2.548 4.364 . 0 0 "[ . 1 . 2 .]" 1
1350 3 71 HIS HD2 3 75 GLY HA3 . . 5.500 4.410 2.347 5.522 0.022 16 0 "[ . 1 . 2 .]" 1
1351 3 71 HIS HD2 3 76 ASN H . . 5.500 5.170 4.838 5.502 0.002 2 0 "[ . 1 . 2 .]" 1
1352 3 71 HIS HD2 3 76 ASN HA . . 5.500 4.198 3.425 5.454 . 0 0 "[ . 1 . 2 .]" 1
1353 3 71 HIS HD2 3 77 ARG H . . 5.500 5.523 5.467 5.562 0.062 24 0 "[ . 1 . 2 .]" 1
1354 3 71 HIS HD2 3 78 TRP HE3 . . 5.500 4.672 4.339 5.041 . 0 0 "[ . 1 . 2 .]" 1
1355 3 71 HIS HD2 3 78 TRP HH2 . . 4.000 2.344 2.187 2.535 . 0 0 "[ . 1 . 2 .]" 1
1356 3 71 HIS HD2 3 78 TRP HZ2 . . 5.500 3.863 3.588 4.088 . 0 0 "[ . 1 . 2 .]" 1
1357 3 71 HIS HD2 3 78 TRP HZ3 . . 4.000 2.986 2.761 3.279 . 0 0 "[ . 1 . 2 .]" 1
1358 3 71 HIS HD2 3 81 ILE MD . . 6.000 3.731 3.212 4.137 . 0 0 "[ . 1 . 2 .]" 1
1359 3 71 HIS HD2 3 81 ILE MG . . 7.000 5.753 4.932 5.841 . 0 0 "[ . 1 . 2 .]" 1
1360 3 71 HIS HD2 3 97 TRP HZ2 . . 5.500 4.917 4.364 5.492 . 0 0 "[ . 1 . 2 .]" 1
1361 3 71 HIS HE1 3 75 GLY HA3 . . 5.500 5.172 4.177 5.518 0.018 10 0 "[ . 1 . 2 .]" 1
1362 3 71 HIS HE1 3 78 TRP HH2 . . 5.500 5.354 4.968 5.532 0.032 4 0 "[ . 1 . 2 .]" 1
1363 3 71 HIS HE1 3 97 TRP HE1 . . 6.500 3.677 3.019 4.557 . 0 0 "[ . 1 . 2 .]" 1
1364 3 71 HIS HE1 3 97 TRP HZ2 . . 5.500 3.025 2.624 4.090 . 0 0 "[ . 1 . 2 .]" 1
1365 3 72 LYS H 3 73 ARG H . . 3.000 2.645 2.089 2.894 . 0 0 "[ . 1 . 2 .]" 1
1366 3 72 LYS H 3 74 LEU H . . 5.000 4.112 3.603 4.322 . 0 0 "[ . 1 . 2 .]" 1
1367 3 72 LYS H 3 74 LEU QD . . 9.400 5.370 4.149 6.132 . 0 0 "[ . 1 . 2 .]" 1
1368 3 72 LYS H 3 75 GLY H . . 5.000 4.541 3.787 4.780 . 0 0 "[ . 1 . 2 .]" 1
1369 3 72 LYS H 3 81 ILE MD . . 7.000 5.097 4.646 5.432 . 0 0 "[ . 1 . 2 .]" 1
1370 3 72 LYS HA 3 73 ARG H . . 4.000 3.471 3.268 3.576 . 0 0 "[ . 1 . 2 .]" 1
1371 3 72 LYS HA 3 74 LEU H . . 5.000 4.875 4.276 5.038 0.038 16 0 "[ . 1 . 2 .]" 1
1372 3 72 LYS HA 3 75 GLY H . . 5.000 4.841 4.445 5.049 0.049 7 0 "[ . 1 . 2 .]" 1
1373 3 72 LYS QE 3 73 ARG H . . 7.500 6.055 4.807 6.688 . 0 0 "[ . 1 . 2 .]" 1
1374 3 73 ARG H 3 74 LEU H . . 3.000 1.977 1.819 2.119 . 0 0 "[ . 1 . 2 .]" 1
1375 3 73 ARG H 3 74 LEU HB3 . . 5.500 5.548 5.463 5.617 0.117 1 0 "[ . 1 . 2 .]" 1
1376 3 73 ARG H 3 74 LEU QD . . 7.500 3.923 2.974 4.481 . 0 0 "[ . 1 . 2 .]" 1
1377 3 73 ARG H 3 75 GLY H . . 4.000 3.473 3.009 3.778 . 0 0 "[ . 1 . 2 .]" 1
1378 3 73 ARG QB 3 74 LEU H . . 5.000 2.734 2.455 3.383 . 0 0 "[ . 1 . 2 .]" 1
1379 3 73 ARG QB 3 75 GLY H . . 5.500 4.787 4.420 4.972 . 0 0 "[ . 1 . 2 .]" 1
1380 3 73 ARG QD 3 74 LEU H . . 6.500 4.879 3.932 5.413 . 0 0 "[ . 1 . 2 .]" 1
1381 3 73 ARG QG 3 74 LEU H . . 5.500 3.908 2.010 4.557 . 0 0 "[ . 1 . 2 .]" 1
1382 3 74 LEU H 3 75 GLY H . . 3.000 2.359 2.017 2.559 . 0 0 "[ . 1 . 2 .]" 1
1383 3 74 LEU H 3 75 GLY HA3 . . 6.000 4.712 4.380 5.030 . 0 0 "[ . 1 . 2 .]" 1
1384 3 74 LEU H 3 76 ASN H . . 6.000 5.710 4.897 6.049 0.049 21 0 "[ . 1 . 2 .]" 1
1385 3 74 LEU H 3 81 ILE MD . . 6.000 4.017 3.313 4.634 . 0 0 "[ . 1 . 2 .]" 1
1386 3 74 LEU HA 3 75 GLY H . . 4.000 3.511 3.051 3.625 . 0 0 "[ . 1 . 2 .]" 1
1387 3 74 LEU HA 3 77 ARG H . . 4.000 4.113 3.619 4.333 0.333 10 0 "[ . 1 . 2 .]" 1
1388 3 74 LEU HB2 3 75 GLY H . . 4.000 2.855 2.286 4.071 0.071 15 0 "[ . 1 . 2 .]" 1
1389 3 74 LEU HB2 3 81 ILE H . . 4.500 4.551 4.343 4.626 0.126 11 0 "[ . 1 . 2 .]" 1
1390 3 74 LEU HB3 3 75 GLY H . . 4.500 3.638 3.141 4.544 0.044 1 0 "[ . 1 . 2 .]" 1
1391 3 74 LEU QD 3 81 ILE H . . 8.400 2.744 2.106 4.418 . 0 0 "[ . 1 . 2 .]" 1
1392 3 74 LEU MD2 3 75 GLY H . . 7.000 4.832 4.626 5.532 . 0 0 "[ . 1 . 2 .]" 1
1393 3 75 GLY H 3 76 ASN H . . 5.000 3.836 2.698 4.300 . 0 0 "[ . 1 . 2 .]" 1
1394 3 75 GLY H 3 76 ASN HA . . 5.000 5.152 5.011 5.285 0.285 20 0 "[ . 1 . 2 .]" 1
1395 3 75 GLY H 3 76 ASN QB . . 7.500 5.742 4.909 6.036 . 0 0 "[ . 1 . 2 .]" 1
1396 3 75 GLY H 3 77 ARG H . . 5.000 3.952 3.686 4.322 . 0 0 "[ . 1 . 2 .]" 1
1397 3 75 GLY H 3 81 ILE MD . . 7.000 3.300 2.301 4.498 . 0 0 "[ . 1 . 2 .]" 1
1398 3 75 GLY HA2 3 76 ASN H . . 4.000 3.523 3.425 3.631 . 0 0 "[ . 1 . 2 .]" 1
1399 3 75 GLY HA3 3 76 ASN H . . 3.000 2.398 2.180 2.761 . 0 0 "[ . 1 . 2 .]" 1
1400 3 75 GLY HA3 3 77 ARG H . . 5.000 4.012 3.704 4.507 . 0 0 "[ . 1 . 2 .]" 1
1401 3 76 ASN H 3 77 ARG H . . 5.000 2.527 1.947 3.063 . 0 0 "[ . 1 . 2 .]" 1
1402 3 76 ASN H 3 78 TRP HZ2 . . 5.500 5.551 5.514 5.606 0.106 16 0 "[ . 1 . 2 .]" 1
1403 3 76 ASN HA 3 77 ARG H . . 3.000 3.094 2.942 3.286 0.286 18 0 "[ . 1 . 2 .]" 1
1404 3 76 ASN HA 3 78 TRP HE1 . . 5.500 3.092 2.658 3.801 . 0 0 "[ . 1 . 2 .]" 1
1405 3 76 ASN HA 3 78 TRP HZ2 . . 6.500 3.182 2.795 4.024 . 0 0 "[ . 1 . 2 .]" 1
1406 3 76 ASN QB 3 77 ARG H . . 5.000 3.969 3.599 4.115 . 0 0 "[ . 1 . 2 .]" 1
1407 3 76 ASN QB 3 78 TRP HE1 . . 5.500 2.925 2.241 4.525 . 0 0 "[ . 1 . 2 .]" 1
1408 3 76 ASN HB2 3 78 TRP HD1 . . 6.500 4.824 3.898 6.537 0.037 20 0 "[ . 1 . 2 .]" 1
1409 3 76 ASN HB2 3 78 TRP HZ2 . . 6.500 4.324 2.697 6.529 0.029 1 0 "[ . 1 . 2 .]" 1
1410 3 76 ASN HB3 3 78 TRP HD1 . . 6.500 5.564 4.111 6.552 0.052 15 0 "[ . 1 . 2 .]" 1
1411 3 76 ASN HB3 3 78 TRP HZ2 . . 6.500 4.078 2.920 5.785 . 0 0 "[ . 1 . 2 .]" 1
1412 3 77 ARG H 3 78 TRP H . . 5.000 3.380 2.879 3.794 . 0 0 "[ . 1 . 2 .]" 1
1413 3 77 ARG H 3 79 ALA H . . 5.000 5.102 4.937 5.157 0.157 10 0 "[ . 1 . 2 .]" 1
1414 3 77 ARG H 3 81 ILE H . . 6.000 5.287 4.974 5.711 . 0 0 "[ . 1 . 2 .]" 1
1415 3 77 ARG H 3 81 ILE MD . . 5.500 3.325 2.782 3.951 . 0 0 "[ . 1 . 2 .]" 1
1416 3 77 ARG HA 3 78 TRP H . . 3.000 2.441 2.228 2.612 . 0 0 "[ . 1 . 2 .]" 1
1417 3 77 ARG HA 3 79 ALA H . . 4.000 3.069 2.948 3.229 . 0 0 "[ . 1 . 2 .]" 1
1418 3 77 ARG HB2 3 78 TRP H . . 5.500 4.507 4.314 4.649 . 0 0 "[ . 1 . 2 .]" 1
1419 3 77 ARG HB2 3 80 GLU H . . 5.500 4.418 3.863 5.242 . 0 0 "[ . 1 . 2 .]" 1
1420 3 77 ARG HB3 3 78 TRP H . . 5.500 4.359 4.173 4.457 . 0 0 "[ . 1 . 2 .]" 1
1421 3 77 ARG HB3 3 80 GLU H . . 5.500 3.209 2.614 4.059 . 0 0 "[ . 1 . 2 .]" 1
1422 3 77 ARG QG 3 80 GLU H . . 6.500 4.220 2.038 5.328 . 0 0 "[ . 1 . 2 .]" 1
1423 3 77 ARG HG2 3 78 TRP H . . 5.500 4.867 4.225 5.601 0.101 8 0 "[ . 1 . 2 .]" 1
1424 3 77 ARG HG3 3 78 TRP H . . 5.500 4.984 4.097 5.746 0.246 20 0 "[ . 1 . 2 .]" 1
1425 3 78 TRP H 3 78 TRP HD1 . . 4.000 2.565 2.239 2.875 . 0 0 "[ . 1 . 2 .]" 1
1426 3 78 TRP H 3 79 ALA H . . 3.000 2.688 2.503 2.833 . 0 0 "[ . 1 . 2 .]" 1
1427 3 78 TRP H 3 79 ALA MB . . 7.000 4.330 4.179 4.441 . 0 0 "[ . 1 . 2 .]" 1
1428 3 78 TRP H 3 80 GLU H . . 5.000 4.465 4.098 4.707 . 0 0 "[ . 1 . 2 .]" 1
1429 3 78 TRP H 3 81 ILE HB . . 5.500 5.017 4.514 5.526 0.026 14 0 "[ . 1 . 2 .]" 1
1430 3 78 TRP H 3 81 ILE MD . . 6.000 3.956 3.519 4.642 . 0 0 "[ . 1 . 2 .]" 1
1431 3 78 TRP HA 3 79 ALA H . . 4.000 3.470 3.410 3.540 . 0 0 "[ . 1 . 2 .]" 1
1432 3 78 TRP HA 3 81 ILE H . . 5.000 3.231 2.987 3.521 . 0 0 "[ . 1 . 2 .]" 1
1433 3 78 TRP HA 3 82 ALA H . . 5.000 3.487 3.203 3.727 . 0 0 "[ . 1 . 2 .]" 1
1434 3 78 TRP HB2 3 79 ALA H . . 4.500 3.126 2.882 3.443 . 0 0 "[ . 1 . 2 .]" 1
1435 3 78 TRP HB2 3 80 GLU H . . 5.500 5.294 5.006 5.507 0.007 19 0 "[ . 1 . 2 .]" 1
1436 3 78 TRP HB2 3 90 ASP H . . 6.500 6.134 5.318 6.542 0.042 10 0 "[ . 1 . 2 .]" 1
1437 3 78 TRP HB3 3 79 ALA H . . 4.500 4.223 4.030 4.417 . 0 0 "[ . 1 . 2 .]" 1
1438 3 78 TRP HD1 3 81 ILE MD . . 7.000 5.525 5.100 6.106 . 0 0 "[ . 1 . 2 .]" 1
1439 3 78 TRP HD1 3 82 ALA MB . . 8.000 6.582 6.251 6.681 . 0 0 "[ . 1 . 2 .]" 1
1440 3 78 TRP HE1 3 94 LYS HB3 . . 6.500 6.309 5.654 6.541 0.041 6 0 "[ . 1 . 2 .]" 1
1441 3 78 TRP HE1 3 94 LYS QG . . 5.500 3.517 2.939 4.819 . 0 0 "[ . 1 . 2 .]" 1
1442 3 78 TRP HE3 3 81 ILE H . . 6.500 5.698 5.354 6.286 . 0 0 "[ . 1 . 2 .]" 1
1443 3 78 TRP HE3 3 81 ILE HB . . 4.500 3.717 3.363 4.273 . 0 0 "[ . 1 . 2 .]" 1
1444 3 78 TRP HE3 3 81 ILE MD . . 5.500 2.449 2.117 3.421 . 0 0 "[ . 1 . 2 .]" 1
1445 3 78 TRP HE3 3 82 ALA H . . 5.500 5.474 5.288 5.567 0.067 10 0 "[ . 1 . 2 .]" 1
1446 3 78 TRP HE3 3 93 ILE HB . . 5.500 4.861 2.639 5.533 0.033 22 0 "[ . 1 . 2 .]" 1
1447 3 78 TRP HE3 3 93 ILE MG . . 6.000 2.580 2.014 3.955 . 0 0 "[ . 1 . 2 .]" 1
1448 3 78 TRP HE3 3 94 LYS H . . 4.500 4.310 3.940 4.549 0.049 6 0 "[ . 1 . 2 .]" 1
1449 3 78 TRP HE3 3 94 LYS HA . . 4.500 3.296 2.860 3.877 . 0 0 "[ . 1 . 2 .]" 1
1450 3 78 TRP HH2 3 81 ILE MD . . 8.000 4.716 4.181 5.497 . 0 0 "[ . 1 . 2 .]" 1
1451 3 78 TRP HH2 3 94 LYS HA . . 5.500 4.374 3.765 4.875 . 0 0 "[ . 1 . 2 .]" 1
1452 3 78 TRP HH2 3 97 TRP H . . 5.500 5.457 4.986 5.547 0.047 7 0 "[ . 1 . 2 .]" 1
1453 3 78 TRP HH2 3 97 TRP HB2 . . 4.500 3.625 3.218 3.861 . 0 0 "[ . 1 . 2 .]" 1
1454 3 78 TRP HH2 3 97 TRP HB3 . . 4.500 3.143 2.688 3.396 . 0 0 "[ . 1 . 2 .]" 1
1455 3 78 TRP HH2 3 97 TRP HD1 . . 4.000 2.639 2.403 2.842 . 0 0 "[ . 1 . 2 .]" 1
1456 3 78 TRP HH2 3 97 TRP HE1 . . 5.500 3.637 3.344 3.815 . 0 0 "[ . 1 . 2 .]" 1
1457 3 78 TRP HH2 3 97 TRP HZ2 . . 5.500 5.411 5.034 5.552 0.052 12 0 "[ . 1 . 2 .]" 1
1458 3 78 TRP HZ3 3 81 ILE MD . . 6.000 3.311 2.692 4.261 . 0 0 "[ . 1 . 2 .]" 1
1459 3 78 TRP HZ3 3 93 ILE MD . . 6.000 3.495 2.103 5.404 . 0 0 "[ . 1 . 2 .]" 1
1460 3 78 TRP HZ3 3 93 ILE MG . . 7.000 3.914 2.574 4.722 . 0 0 "[ . 1 . 2 .]" 1
1461 3 78 TRP HZ3 3 97 TRP H . . 5.500 4.683 4.172 5.034 . 0 0 "[ . 1 . 2 .]" 1
1462 3 78 TRP HZ3 3 97 TRP HB2 . . 4.500 2.903 2.504 3.321 . 0 0 "[ . 1 . 2 .]" 1
1463 3 78 TRP HZ3 3 97 TRP HB3 . . 4.500 3.427 2.879 3.884 . 0 0 "[ . 1 . 2 .]" 1
1464 3 78 TRP HZ3 3 97 TRP HD1 . . 4.500 4.492 4.198 4.573 0.073 13 0 "[ . 1 . 2 .]" 1
1465 3 79 ALA H 3 80 GLU H . . 3.000 2.630 2.441 2.845 . 0 0 "[ . 1 . 2 .]" 1
1466 3 79 ALA H 3 80 GLU QB . . 5.500 4.538 4.290 4.913 . 0 0 "[ . 1 . 2 .]" 1
1467 3 79 ALA H 3 81 ILE H . . 5.000 4.086 3.810 4.607 . 0 0 "[ . 1 . 2 .]" 1
1468 3 79 ALA H 3 81 ILE MD . . 7.000 5.049 4.658 5.502 . 0 0 "[ . 1 . 2 .]" 1
1469 3 79 ALA H 3 82 ALA H . . 5.000 4.624 4.430 4.874 . 0 0 "[ . 1 . 2 .]" 1
1470 3 79 ALA HA 3 80 GLU H . . 5.000 3.583 3.534 3.623 . 0 0 "[ . 1 . 2 .]" 1
1471 3 79 ALA HA 3 82 ALA H . . 4.000 3.862 3.480 4.052 0.052 6 0 "[ . 1 . 2 .]" 1
1472 3 79 ALA HA 3 90 ASP H . . 5.000 5.012 4.722 5.116 0.116 17 0 "[ . 1 . 2 .]" 1
1473 3 79 ALA MB 3 80 GLU H . . 5.500 2.620 2.364 2.896 . 0 0 "[ . 1 . 2 .]" 1
1474 3 80 GLU H 3 81 ILE H . . 3.000 2.397 2.328 2.454 . 0 0 "[ . 1 . 2 .]" 1
1475 3 80 GLU H 3 81 ILE HA . . 5.000 5.047 4.993 5.087 0.087 19 0 "[ . 1 . 2 .]" 1
1476 3 80 GLU H 3 81 ILE MD . . 5.500 4.870 3.907 5.161 . 0 0 "[ . 1 . 2 .]" 1
1477 3 80 GLU H 3 81 ILE MG . . 7.000 5.573 4.533 5.716 . 0 0 "[ . 1 . 2 .]" 1
1478 3 80 GLU H 3 82 ALA H . . 4.000 3.924 3.602 4.084 0.084 10 0 "[ . 1 . 2 .]" 1
1479 3 80 GLU HA 3 81 ILE H . . 4.000 3.600 3.563 3.631 . 0 0 "[ . 1 . 2 .]" 1
1480 3 80 GLU HA 3 82 ALA H . . 5.000 4.436 4.200 4.664 . 0 0 "[ . 1 . 2 .]" 1
1481 3 80 GLU HA 3 83 LYS H . . 4.000 3.270 3.021 3.517 . 0 0 "[ . 1 . 2 .]" 1
1482 3 80 GLU QB 3 81 ILE H . . 5.500 2.594 2.336 3.523 . 0 0 "[ . 1 . 2 .]" 1
1483 3 80 GLU QG 3 81 ILE H . . 5.500 4.050 2.154 4.591 . 0 0 "[ . 1 . 2 .]" 1
1484 3 81 ILE H 3 82 ALA H . . 3.000 2.779 2.622 2.914 . 0 0 "[ . 1 . 2 .]" 1
1485 3 81 ILE H 3 82 ALA MB . . 6.000 4.341 4.136 4.543 . 0 0 "[ . 1 . 2 .]" 1
1486 3 81 ILE H 3 83 LYS H . . 6.000 4.269 4.087 4.530 . 0 0 "[ . 1 . 2 .]" 1
1487 3 81 ILE H 3 84 LEU H . . 5.000 4.801 4.675 5.004 0.004 5 0 "[ . 1 . 2 .]" 1
1488 3 81 ILE HA 3 82 ALA H . . 4.000 3.583 3.552 3.618 . 0 0 "[ . 1 . 2 .]" 1
1489 3 81 ILE HA 3 83 LYS H . . 5.000 4.626 4.347 4.925 . 0 0 "[ . 1 . 2 .]" 1
1490 3 81 ILE HA 3 84 LEU H . . 4.000 3.566 3.184 4.019 0.019 7 0 "[ . 1 . 2 .]" 1
1491 3 81 ILE HA 3 85 LEU H . . 5.000 4.807 3.906 5.039 0.039 7 0 "[ . 1 . 2 .]" 1
1492 3 81 ILE HB 3 82 ALA H . . 4.000 2.501 2.228 3.255 . 0 0 "[ . 1 . 2 .]" 1
1493 3 81 ILE MD 3 82 ALA H . . 5.500 4.334 4.073 4.744 . 0 0 "[ . 1 . 2 .]" 1
1494 3 81 ILE MG 3 82 ALA H . . 5.500 3.321 2.065 3.764 . 0 0 "[ . 1 . 2 .]" 1
1495 3 81 ILE MG 3 83 LYS H . . 7.000 5.120 4.344 5.461 . 0 0 "[ . 1 . 2 .]" 1
1496 3 82 ALA H 3 83 LYS H . . 3.000 2.820 2.571 2.981 . 0 0 "[ . 1 . 2 .]" 1
1497 3 82 ALA H 3 84 LEU H . . 6.000 4.137 3.905 4.408 . 0 0 "[ . 1 . 2 .]" 1
1498 3 82 ALA H 3 85 LEU H . . 5.000 4.853 4.474 5.020 0.020 18 0 "[ . 1 . 2 .]" 1
1499 3 82 ALA H 3 85 LEU HB2 . . 5.500 5.391 4.817 5.587 0.087 4 0 "[ . 1 . 2 .]" 1
1500 3 82 ALA HA 3 83 LYS H . . 4.000 3.619 3.598 3.649 . 0 0 "[ . 1 . 2 .]" 1
1501 3 82 ALA HA 3 84 LEU H . . 5.000 4.298 4.006 4.591 . 0 0 "[ . 1 . 2 .]" 1
1502 3 82 ALA HA 3 85 LEU H . . 4.000 3.374 3.040 3.614 . 0 0 "[ . 1 . 2 .]" 1
1503 3 82 ALA MB 3 83 LYS H . . 5.500 2.437 2.302 2.657 . 0 0 "[ . 1 . 2 .]" 1
1504 3 82 ALA MB 3 84 LEU H . . 7.000 4.402 4.130 4.609 . 0 0 "[ . 1 . 2 .]" 1
1505 3 82 ALA MB 3 85 LEU H . . 6.000 4.345 4.097 4.746 . 0 0 "[ . 1 . 2 .]" 1
1506 3 82 ALA MB 3 90 ASP H . . 5.500 2.077 1.674 2.809 . 0 0 "[ . 1 . 2 .]" 1
1507 3 83 LYS H 3 84 LEU H . . 3.000 2.723 2.564 2.893 . 0 0 "[ . 1 . 2 .]" 1
1508 3 83 LYS H 3 84 LEU HA . . 6.000 5.361 5.205 5.480 . 0 0 "[ . 1 . 2 .]" 1
1509 3 83 LYS H 3 84 LEU QD . . 8.400 4.831 3.984 5.730 . 0 0 "[ . 1 . 2 .]" 1
1510 3 83 LYS H 3 85 LEU H . . 5.000 3.972 3.817 4.524 . 0 0 "[ . 1 . 2 .]" 1
1511 3 83 LYS HA 3 84 LEU H . . 4.000 3.576 3.481 3.630 . 0 0 "[ . 1 . 2 .]" 1
1512 3 83 LYS HA 3 85 LEU H . . 5.000 3.839 3.594 5.011 0.011 10 0 "[ . 1 . 2 .]" 1
1513 3 83 LYS QB 3 84 LEU H . . 5.500 2.766 2.558 3.772 . 0 0 "[ . 1 . 2 .]" 1
1514 3 83 LYS QG 3 84 LEU H . . 5.500 4.073 2.549 4.559 . 0 0 "[ . 1 . 2 .]" 1
1515 3 84 LEU H 3 85 LEU H . . 3.000 2.565 2.365 2.708 . 0 0 "[ . 1 . 2 .]" 1
1516 3 84 LEU H 3 85 LEU QD . . 9.400 5.240 4.165 5.541 . 0 0 "[ . 1 . 2 .]" 1
1517 3 84 LEU HA 3 85 LEU H . . 4.000 3.374 3.198 3.607 . 0 0 "[ . 1 . 2 .]" 1
1518 3 84 LEU HB2 3 85 LEU H . . 4.500 3.814 3.201 4.501 0.001 5 0 "[ . 1 . 2 .]" 1
1519 3 84 LEU QD 3 85 LEU H . . 8.400 4.156 2.916 4.550 . 0 0 "[ . 1 . 2 .]" 1
1520 3 85 LEU H 3 86 PRO HD2 . . 5.500 4.418 3.914 5.005 . 0 0 "[ . 1 . 2 .]" 1
1521 3 85 LEU H 3 86 PRO HD3 . . 5.500 3.469 2.803 4.499 . 0 0 "[ . 1 . 2 .]" 1
1522 3 85 LEU HB3 3 88 ARG H . . 5.500 4.029 2.283 5.408 . 0 0 "[ . 1 . 2 .]" 1
1523 3 86 PRO HA 3 87 GLY H . . 4.000 2.716 2.171 3.617 . 0 0 "[ . 1 . 2 .]" 1
1524 3 86 PRO HA 3 88 ARG H . . 5.000 4.488 3.513 5.040 0.040 9 0 "[ . 1 . 2 .]" 1
1525 3 86 PRO HB2 3 87 GLY H . . 5.500 3.473 2.713 4.352 . 0 0 "[ . 1 . 2 .]" 1
1526 3 86 PRO HB3 3 87 GLY H . . 5.500 3.978 3.218 4.640 . 0 0 "[ . 1 . 2 .]" 1
1527 3 86 PRO QD 3 87 GLY H . . 6.500 4.165 2.625 5.030 . 0 0 "[ . 1 . 2 .]" 1
1528 3 86 PRO QD 3 88 ARG H . . 6.500 4.958 4.063 5.556 . 0 0 "[ . 1 . 2 .]" 1
1529 3 87 GLY H 3 88 ARG H . . 4.000 3.165 2.251 4.012 0.012 18 0 "[ . 1 . 2 .]" 1
1530 3 87 GLY H 3 88 ARG QG . . 6.500 5.455 4.167 5.810 . 0 0 "[ . 1 . 2 .]" 1
1531 3 87 GLY HA2 3 88 ARG H . . 4.000 3.585 3.495 3.633 . 0 0 "[ . 1 . 2 .]" 1
1532 3 87 GLY HA3 3 88 ARG H . . 4.000 2.660 2.329 3.122 . 0 0 "[ . 1 . 2 .]" 1
1533 3 88 ARG HA 3 89 THR H . . 4.000 2.393 2.164 3.628 . 0 0 "[ . 1 . 2 .]" 1
1534 3 88 ARG HB3 3 89 THR H . . 5.500 3.957 2.589 4.646 . 0 0 "[ . 1 . 2 .]" 1
1535 3 88 ARG QD 3 89 THR H . . 6.500 5.341 4.158 5.827 . 0 0 "[ . 1 . 2 .]" 1
1536 3 88 ARG QG 3 89 THR H . . 5.500 4.223 2.779 4.902 . 0 0 "[ . 1 . 2 .]" 1
1537 3 89 THR H 3 92 ALA MB . . 5.500 3.100 2.093 4.232 . 0 0 "[ . 1 . 2 .]" 1
1538 3 89 THR MG 3 90 ASP H . . 7.000 2.759 1.774 4.136 . 0 0 "[ . 1 . 2 .]" 1
1539 3 89 THR MG 3 92 ALA H . . 7.000 4.689 2.135 5.878 . 0 0 "[ . 1 . 2 .]" 1
1540 3 90 ASP H 3 91 ASN H . . 5.000 3.989 2.867 4.651 . 0 0 "[ . 1 . 2 .]" 1
1541 3 90 ASP H 3 92 ALA H . . 6.000 4.527 3.278 5.077 . 0 0 "[ . 1 . 2 .]" 1
1542 3 90 ASP HA 3 91 ASN H . . 5.000 3.096 2.125 3.645 . 0 0 "[ . 1 . 2 .]" 1
1543 3 90 ASP QB 3 93 ILE H . . 7.500 5.570 4.834 6.306 . 0 0 "[ . 1 . 2 .]" 1
1544 3 91 ASN H 3 92 ALA H . . 3.000 2.922 2.113 3.267 0.267 12 0 "[ . 1 . 2 .]" 1
1545 3 91 ASN HA 3 92 ALA H . . 5.000 3.442 2.751 3.633 . 0 0 "[ . 1 . 2 .]" 1
1546 3 91 ASN HA 3 93 ILE H . . 6.000 4.791 3.418 5.458 . 0 0 "[ . 1 . 2 .]" 1
1547 3 91 ASN HA 3 94 LYS H . . 4.000 3.569 2.541 4.041 0.041 6 0 "[ . 1 . 2 .]" 1
1548 3 91 ASN HA 3 95 ASN H . . 5.000 3.375 2.833 4.136 . 0 0 "[ . 1 . 2 .]" 1
1549 3 91 ASN HB2 3 92 ALA H . . 4.500 3.794 2.327 4.588 0.088 8 0 "[ . 1 . 2 .]" 1
1550 3 91 ASN HB3 3 92 ALA H . . 4.500 3.560 2.496 4.545 0.045 3 0 "[ . 1 . 2 .]" 1
1551 3 92 ALA H 3 93 ILE H . . 3.000 2.810 2.072 3.327 0.327 18 0 "[ . 1 . 2 .]" 1
1552 3 92 ALA H 3 94 LYS HB3 . . 5.500 4.749 3.395 5.524 0.024 6 0 "[ . 1 . 2 .]" 1
1553 3 92 ALA HA 3 93 ILE H . . 5.000 3.559 2.556 3.645 . 0 0 "[ . 1 . 2 .]" 1
1554 3 92 ALA HA 3 96 HIS H . . 5.000 4.200 3.742 4.764 . 0 0 "[ . 1 . 2 .]" 1
1555 3 92 ALA MB 3 93 ILE H . . 5.500 2.229 1.930 3.663 . 0 0 "[ . 1 . 2 .]" 1
1556 3 93 ILE H 3 94 LYS H . . 4.000 2.577 1.842 2.836 . 0 0 "[ . 1 . 2 .]" 1
1557 3 93 ILE HA 3 94 LYS H . . 4.000 3.549 3.487 3.589 . 0 0 "[ . 1 . 2 .]" 1
1558 3 93 ILE HA 3 95 ASN H . . 6.000 4.871 4.585 5.324 . 0 0 "[ . 1 . 2 .]" 1
1559 3 93 ILE HA 3 96 HIS H . . 4.000 3.643 3.410 4.010 0.010 2 0 "[ . 1 . 2 .]" 1
1560 3 93 ILE HA 3 96 HIS HD2 . . 5.500 3.634 2.942 4.173 . 0 0 "[ . 1 . 2 .]" 1
1561 3 93 ILE HA 3 97 TRP H . . 5.000 3.941 3.644 4.450 . 0 0 "[ . 1 . 2 .]" 1
1562 3 93 ILE MD 3 96 HIS HD2 . . 7.000 4.658 2.828 6.242 . 0 0 "[ . 1 . 2 .]" 1
1563 3 93 ILE MG 3 94 LYS H . . 6.000 2.403 1.913 4.306 . 0 0 "[ . 1 . 2 .]" 1
1564 3 93 ILE MG 3 97 TRP H . . 7.000 4.877 3.700 5.567 . 0 0 "[ . 1 . 2 .]" 1
1565 3 94 LYS H 3 95 ASN H . . 3.000 2.754 2.484 3.021 0.021 2 0 "[ . 1 . 2 .]" 1
1566 3 94 LYS HA 3 95 ASN H . . 4.000 3.626 3.576 3.654 . 0 0 "[ . 1 . 2 .]" 1
1567 3 94 LYS HA 3 96 HIS H . . 5.000 4.279 3.996 4.657 . 0 0 "[ . 1 . 2 .]" 1
1568 3 94 LYS HA 3 97 TRP H . . 4.000 3.731 3.358 4.120 0.120 12 0 "[ . 1 . 2 .]" 1
1569 3 94 LYS HA 3 97 TRP HD1 . . 5.500 5.224 4.570 5.557 0.057 2 0 "[ . 1 . 2 .]" 1
1570 3 94 LYS HB2 3 95 ASN H . . 5.500 3.685 3.557 3.905 . 0 0 "[ . 1 . 2 .]" 1
1571 3 94 LYS HB3 3 95 ASN H . . 4.500 2.264 2.017 2.476 . 0 0 "[ . 1 . 2 .]" 1
1572 3 94 LYS HB3 3 96 HIS H . . 4.500 4.576 4.508 4.644 0.144 15 0 "[ . 1 . 2 .]" 1
1573 3 95 ASN H 3 98 ASN HD21 . . 5.500 4.700 4.224 6.456 0.956 3 2 "[ + .- 1 . 2 .]" 1
1574 3 95 ASN HA 3 96 HIS H . . 4.000 3.532 3.478 3.593 . 0 0 "[ . 1 . 2 .]" 1
1575 3 95 ASN HA 3 97 TRP H . . 5.000 4.806 4.416 5.037 0.037 5 0 "[ . 1 . 2 .]" 1
1576 3 95 ASN HA 3 98 ASN H . . 5.000 4.051 3.348 4.493 . 0 0 "[ . 1 . 2 .]" 1
1577 3 95 ASN QB 3 96 HIS H . . 5.500 3.033 2.600 3.747 . 0 0 "[ . 1 . 2 .]" 1
1578 3 95 ASN QB 3 97 TRP H . . 6.500 5.253 4.927 5.792 . 0 0 "[ . 1 . 2 .]" 1
1579 3 96 HIS H 3 97 TRP H . . 3.000 2.799 2.624 3.004 0.004 14 0 "[ . 1 . 2 .]" 1
1580 3 96 HIS HA 3 97 TRP H . . 4.000 3.621 3.597 3.657 . 0 0 "[ . 1 . 2 .]" 1
1581 3 96 HIS HA 3 98 ASN H . . 5.000 4.987 4.724 5.073 0.073 3 0 "[ . 1 . 2 .]" 1
1582 3 96 HIS HB2 3 97 TRP H . . 4.500 3.853 3.691 3.989 . 0 0 "[ . 1 . 2 .]" 1
1583 3 96 HIS HB3 3 97 TRP H . . 4.500 2.427 2.188 2.604 . 0 0 "[ . 1 . 2 .]" 1
1584 3 96 HIS HD2 3 97 TRP HA . . 5.500 3.547 3.007 4.855 . 0 0 "[ . 1 . 2 .]" 1
1585 3 96 HIS HD2 3 101 MET ME . . 6.000 4.336 3.326 5.037 . 0 0 "[ . 1 . 2 .]" 1
1586 3 96 HIS HE1 3 100 THR HA . . 5.500 5.515 5.333 5.657 0.157 10 0 "[ . 1 . 2 .]" 1
1587 3 96 HIS HE1 3 100 THR HB . . 4.500 3.299 2.785 4.531 0.031 10 0 "[ . 1 . 2 .]" 1
1588 3 96 HIS HE1 3 100 THR MG . . 5.500 2.578 2.056 3.390 . 0 0 "[ . 1 . 2 .]" 1
1589 3 96 HIS HE1 3 101 MET HA . . 6.500 6.393 5.528 6.599 0.099 24 0 "[ . 1 . 2 .]" 1
1590 3 96 HIS HE1 3 101 MET QG . . 6.500 4.088 2.958 5.796 . 0 0 "[ . 1 . 2 .]" 1
1591 3 96 HIS HE1 3 105 VAL QG . . 10.900 7.531 5.946 8.097 . 0 0 "[ . 1 . 2 .]" 1
1592 3 97 TRP H 3 98 ASN H . . 3.000 2.958 2.532 3.101 0.101 18 0 "[ . 1 . 2 .]" 1
1593 3 97 TRP H 3 98 ASN HD21 . . 4.500 4.251 3.222 5.270 0.770 19 3 "[ - .* 1 . +2 .]" 1
1594 3 97 TRP H 3 101 MET QB . . 6.500 5.027 4.457 5.800 . 0 0 "[ . 1 . 2 .]" 1
1595 3 97 TRP HA 3 98 ASN H . . 5.000 3.548 3.508 3.573 . 0 0 "[ . 1 . 2 .]" 1
1596 3 97 TRP HA 3 100 THR H . . 5.000 3.880 3.549 4.370 . 0 0 "[ . 1 . 2 .]" 1
1597 3 97 TRP HA 3 101 MET H . . 5.000 2.926 2.509 3.608 . 0 0 "[ . 1 . 2 .]" 1
1598 3 97 TRP QB 3 98 ASN H . . 6.500 2.054 1.955 2.281 . 0 0 "[ . 1 . 2 .]" 1
1599 3 97 TRP HD1 3 98 ASN HA . . 4.000 3.352 2.608 3.767 . 0 0 "[ . 1 . 2 .]" 1
1600 3 97 TRP HD1 3 98 ASN HB3 . . 5.500 3.929 2.854 5.188 . 0 0 "[ . 1 . 2 .]" 1
1601 3 97 TRP HD1 3 99 SER H . . 5.500 5.375 4.889 5.590 0.090 4 0 "[ . 1 . 2 .]" 1
1602 3 97 TRP HD1 3 101 MET H . . 6.500 5.856 5.237 6.505 0.005 13 0 "[ . 1 . 2 .]" 1
1603 3 97 TRP HD1 3 101 MET HB2 . . 5.500 5.129 4.462 5.567 0.067 18 0 "[ . 1 . 2 .]" 1
1604 3 97 TRP HD1 3 101 MET HB3 . . 6.500 5.922 4.878 6.506 0.006 15 0 "[ . 1 . 2 .]" 1
1605 3 97 TRP HD1 3 101 MET ME . . 8.000 6.608 5.967 6.700 . 0 0 "[ . 1 . 2 .]" 1
1606 3 97 TRP HE1 3 98 ASN HA . . 5.500 4.979 4.108 5.533 0.033 2 0 "[ . 1 . 2 .]" 1
1607 3 97 TRP HE1 3 102 ARG QB . . 6.500 5.153 2.268 5.825 . 0 0 "[ . 1 . 2 .]" 1
1608 3 97 TRP HE1 3 102 ARG QG . . 5.500 4.606 2.442 4.989 . 0 0 "[ . 1 . 2 .]" 1
1609 3 97 TRP HE1 3 104 LYS QG . . 5.500 4.497 2.253 4.981 . 0 0 "[ . 1 . 2 .]" 1
1610 3 97 TRP HE3 3 98 ASN H . . 5.500 5.619 5.587 5.661 0.161 2 0 "[ . 1 . 2 .]" 1
1611 3 97 TRP HE3 3 101 MET HB2 . . 4.500 3.056 2.474 4.540 0.040 2 0 "[ . 1 . 2 .]" 1
1612 3 97 TRP HE3 3 101 MET HB3 . . 5.500 3.784 3.080 5.189 . 0 0 "[ . 1 . 2 .]" 1
1613 3 97 TRP HE3 3 101 MET ME . . 7.000 2.876 2.214 3.563 . 0 0 "[ . 1 . 2 .]" 1
1614 3 97 TRP HH2 3 101 MET ME . . 6.000 3.754 2.858 4.999 . 0 0 "[ . 1 . 2 .]" 1
1615 3 97 TRP HZ2 3 105 VAL QG . . 9.400 4.251 2.089 6.990 . 0 0 "[ . 1 . 2 .]" 1
1616 3 97 TRP HZ3 3 101 MET ME . . 6.000 2.260 1.946 3.177 . 0 0 "[ . 1 . 2 .]" 1
1617 3 98 ASN H 3 99 SER H . . 4.000 3.191 2.801 3.723 . 0 0 "[ . 1 . 2 .]" 1
1618 3 98 ASN HA 3 99 SER H . . 4.000 3.084 2.431 3.545 . 0 0 "[ . 1 . 2 .]" 1
1619 3 98 ASN HA 3 101 MET H . . 5.000 4.657 4.219 5.037 0.037 9 0 "[ . 1 . 2 .]" 1
1620 3 98 ASN QB 3 99 SER H . . 5.500 3.881 3.321 4.144 . 0 0 "[ . 1 . 2 .]" 1
1621 3 99 SER H 3 100 THR H . . 3.000 2.053 1.739 2.579 . 0 0 "[ . 1 . 2 .]" 1
1622 3 99 SER H 3 100 THR MG . . 6.000 4.390 3.370 5.099 . 0 0 "[ . 1 . 2 .]" 1
1623 3 99 SER HA 3 100 THR H . . 4.000 3.431 2.920 3.627 . 0 0 "[ . 1 . 2 .]" 1
1624 3 99 SER HB2 3 100 THR H . . 5.500 3.526 2.157 4.586 . 0 0 "[ . 1 . 2 .]" 1
1625 3 99 SER HB3 3 100 THR H . . 5.500 3.645 2.360 4.602 . 0 0 "[ . 1 . 2 .]" 1
1626 3 100 THR H 3 101 MET HB2 . . 4.500 4.375 3.938 4.571 0.071 2 0 "[ . 1 . 2 .]" 1
1627 3 100 THR HA 3 101 MET H . . 4.000 3.567 3.268 3.624 . 0 0 "[ . 1 . 2 .]" 1
1628 3 100 THR HB 3 101 MET H . . 4.500 3.244 2.175 4.546 0.046 10 0 "[ . 1 . 2 .]" 1
1629 3 100 THR MG 3 101 MET H . . 6.000 3.603 2.922 4.544 . 0 0 "[ . 1 . 2 .]" 1
1630 3 101 MET HB2 3 102 ARG H . . 5.500 3.611 1.859 4.695 . 0 0 "[ . 1 . 2 .]" 1
1631 3 101 MET HB3 3 102 ARG H . . 5.500 3.587 2.034 4.532 . 0 0 "[ . 1 . 2 .]" 1
1632 3 102 ARG HA 3 103 ARG H . . 4.000 3.011 2.216 3.608 . 0 0 "[ . 1 . 2 .]" 1
1633 3 103 ARG H 3 105 VAL QG . . 9.400 4.678 2.573 6.487 . 0 0 "[ . 1 . 2 .]" 1
1634 3 103 ARG HA 3 104 LYS H . . 4.000 3.090 2.157 3.637 . 0 0 "[ . 1 . 2 .]" 1
1635 3 103 ARG QB 3 104 LYS H . . 5.500 3.514 2.084 4.055 . 0 0 "[ . 1 . 2 .]" 1
1636 3 104 LYS H 3 105 VAL H . . 3.000 2.676 1.648 3.289 0.289 5 0 "[ . 1 . 2 .]" 1
1637 3 104 LYS H 3 105 VAL QG . . 8.400 3.607 2.407 4.793 . 0 0 "[ . 1 . 2 .]" 1
1638 3 104 LYS HA 3 105 VAL H . . 3.000 2.701 2.158 3.372 0.372 9 0 "[ . 1 . 2 .]" 1
1639 3 104 LYS HB2 3 105 VAL H . . 4.500 4.331 3.237 4.645 0.145 19 0 "[ . 1 . 2 .]" 1
1640 3 104 LYS HB3 3 105 VAL H . . 4.500 4.408 3.919 4.637 0.137 18 0 "[ . 1 . 2 .]" 1
1641 3 104 LYS QG 3 105 VAL H . . 5.500 4.205 3.288 4.911 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, June 28, 2024 5:05:05 AM GMT (wattos1)