NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557198 |
2rsk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rsk
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 1595
_Distance_constraint_stats_list.Viol_count 1824
_Distance_constraint_stats_list.Viol_total 7827.310
_Distance_constraint_stats_list.Viol_max 2.427
_Distance_constraint_stats_list.Viol_rms 0.2075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0491
_Distance_constraint_stats_list.Viol_average_violations_only 0.4291
_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 G 14.325 0.727 6 5 "[ -***+ 1]"
1 2 G 42.778 1.743 3 10 [**+*-*****]
1 3 A 61.068 1.874 6 10 [*****+**-*]
1 4 G 43.260 1.978 9 10 [***-****+*]
1 5 G 52.838 1.978 9 10 [********+*]
1 6 A 68.665 2.427 8 10 [****-**+**]
1 7 G 49.329 2.427 8 10 [*****-*+**]
1 8 G 30.565 1.621 9 10 [********+-]
1 9 A 29.664 1.104 8 10 [*****-*+**]
1 10 G 71.095 1.958 6 10 [*****+***-]
1 11 G 70.330 1.958 6 10 [**-**+****]
1 12 A 63.380 2.128 1 10 [+-********]
2 1 G 15.164 0.666 10 5 "[ * ** - +]"
2 2 G 44.059 1.706 7 10 [***-**+***]
2 3 A 59.652 1.862 3 10 [**+*****-*]
2 4 G 37.277 1.991 10 10 [*********+]
2 5 G 52.771 1.991 10 10 [*********+]
2 6 A 49.165 1.484 3 10 [**+*******]
2 7 G 38.281 1.522 7 10 [******+**-]
2 8 G 33.177 1.703 7 10 [-*****+***]
2 9 A 31.045 1.275 3 10 [*-+*******]
2 10 G 69.248 2.284 6 10 [*****+****]
2 11 G 73.895 2.284 6 10 [*****+***-]
2 12 A 66.256 2.140 1 10 [+********-]
3 1 GLY 0.000 0.000 . 0 "[ . 1]"
3 2 GLN 7.901 0.408 3 0 "[ . 1]"
3 3 TRP 33.948 0.449 10 0 "[ . 1]"
3 4 ASN 0.000 0.000 . 0 "[ . 1]"
3 5 LYS 2.688 0.278 3 0 "[ . 1]"
3 6 PRO 2.688 0.278 3 0 "[ . 1]"
3 7 SER 0.000 0.000 . 0 "[ . 1]"
3 8 LYS 3.764 0.449 10 0 "[ . 1]"
3 9 PRO 0.000 0.000 . 0 "[ . 1]"
3 10 LYS 0.000 0.000 . 0 "[ . 1]"
3 11 THR 0.000 0.000 . 0 "[ . 1]"
3 12 ASN 0.000 0.000 . 0 "[ . 1]"
4 1 GLY 0.000 0.000 . 0 "[ . 1]"
4 2 GLN 7.973 0.431 7 0 "[ . 1]"
4 3 TRP 34.279 0.405 3 0 "[ . 1]"
4 4 ASN 0.000 0.000 . 0 "[ . 1]"
4 5 LYS 2.707 0.279 8 0 "[ . 1]"
4 6 PRO 2.707 0.279 8 0 "[ . 1]"
4 7 SER 0.000 0.000 . 0 "[ . 1]"
4 8 LYS 3.615 0.405 3 0 "[ . 1]"
4 9 PRO 0.000 0.000 . 0 "[ . 1]"
4 10 LYS 0.000 0.000 . 0 "[ . 1]"
4 11 THR 0.000 0.000 . 0 "[ . 1]"
4 12 ASN 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H3' 1.800 . 4.800 3.723 3.705 3.734 . 0 0 "[ . 1]" 1
2 1 1 G H1' 1 1 G H4' 1.800 . 4.800 2.732 2.713 2.785 . 0 0 "[ . 1]" 1
3 1 1 G H1' 1 1 G H5' 1.800 . 6.500 4.478 4.438 4.535 . 0 0 "[ . 1]" 1
4 1 1 G H1' 1 1 G H8 1.800 . 5.000 3.617 3.544 3.715 . 0 0 "[ . 1]" 1
5 1 1 G H1' 1 1 G HO2' 1.800 . 4.900 2.618 2.085 3.449 . 0 0 "[ . 1]" 1
6 1 1 G H1' 1 2 G H1' 1.800 . 8.400 4.880 4.708 5.255 . 0 0 "[ . 1]" 1
7 1 1 G H1' 1 2 G H3' 1.800 . 7.100 4.790 4.564 4.879 . 0 0 "[ . 1]" 1
8 1 1 G H1' 1 2 G H4' 1.800 . 7.300 4.664 4.535 5.004 . 0 0 "[ . 1]" 1
9 1 1 G H1' 1 2 G H5' 1.800 . 6.200 3.566 2.129 4.212 . 0 0 "[ . 1]" 1
10 1 1 G H1' 1 2 G H5'' 1.800 . 7.300 2.364 2.117 3.704 . 0 0 "[ . 1]" 1
11 1 1 G H1' 1 2 G H8 1.800 . 3.400 2.001 1.956 2.062 . 0 0 "[ . 1]" 1
12 1 1 G H1' 1 2 G HO2' 1.800 . 5.800 6.241 5.882 6.527 0.727 6 5 "[ -***+ 1]" 1
13 1 1 G H1' 1 3 A H2 1.800 . 8.100 5.703 5.571 5.902 . 0 0 "[ . 1]" 1
14 1 1 G H1' 2 3 A H8 1.800 . 7.700 5.940 5.665 6.119 . 0 0 "[ . 1]" 1
15 1 1 G H1' 2 4 G H1' 1.800 . 5.800 3.388 3.351 3.451 . 0 0 "[ . 1]" 1
16 1 1 G H1' 2 4 G H8 1.800 . 7.200 5.227 5.053 5.364 . 0 0 "[ . 1]" 1
17 1 1 G H3' 1 1 G H4' 1.800 . 4.800 2.920 2.897 2.925 . 0 0 "[ . 1]" 1
18 1 1 G H3' 1 1 G H5' 1.800 . 4.700 2.452 2.292 2.577 . 0 0 "[ . 1]" 1
19 1 1 G H3' 1 1 G H5'' 1.800 . 4.000 3.631 3.583 3.661 . 0 0 "[ . 1]" 1
20 1 1 G H3' 1 1 G H8 1.800 . 4.500 4.672 4.635 4.698 0.198 2 0 "[ . 1]" 1
21 1 1 G H3' 1 2 G H3' 1.800 . 7.300 6.954 6.534 7.122 . 0 0 "[ . 1]" 1
22 1 1 G H3' 1 2 G H4' 1.800 . 7.400 6.460 6.255 6.907 . 0 0 "[ . 1]" 1
23 1 1 G H3' 1 2 G H5' 1.800 . 7.400 5.042 4.490 5.352 . 0 0 "[ . 1]" 1
24 1 1 G H3' 1 2 G H8 1.800 . 5.200 5.533 5.443 5.581 0.381 4 0 "[ . 1]" 1
25 1 1 G H3' 1 3 A H2 1.800 . 8.200 6.234 6.086 6.600 . 0 0 "[ . 1]" 1
26 1 1 G H3' 1 12 A H1' 1.800 . 8.000 7.419 7.237 7.580 . 0 0 "[ . 1]" 1
27 1 1 G H3' 1 12 A HO2' 1.800 . 7.200 5.073 4.047 5.687 . 0 0 "[ . 1]" 1
28 1 1 G H3' 2 4 G H1' 1.800 . 5.700 3.639 3.464 3.859 . 0 0 "[ . 1]" 1
29 1 1 G H3' 2 4 G H8 1.800 . 7.200 6.618 6.448 6.784 . 0 0 "[ . 1]" 1
30 1 1 G H4' 1 1 G H5' 1.800 . 4.000 3.040 3.028 3.049 . 0 0 "[ . 1]" 1
31 1 1 G H4' 1 1 G H5'' 1.800 . 3.900 2.503 2.439 2.594 . 0 0 "[ . 1]" 1
32 1 1 G H4' 1 1 G H8 1.800 . 6.200 5.558 5.546 5.573 . 0 0 "[ . 1]" 1
33 1 1 G H4' 1 2 G H4' 1.800 . 6.400 3.956 3.576 4.348 . 0 0 "[ . 1]" 1
34 1 1 G H4' 1 2 G H5' 1.800 . 6.000 3.590 2.161 4.237 . 0 0 "[ . 1]" 1
35 1 1 G H4' 1 2 G H5'' 1.800 . 6.200 2.545 2.084 3.148 . 0 0 "[ . 1]" 1
36 1 1 G H4' 1 2 G H8 1.800 . 6.000 4.371 4.222 4.518 . 0 0 "[ . 1]" 1
37 1 1 G H4' 1 3 A H2 1.800 . 7.500 3.602 3.475 3.902 . 0 0 "[ . 1]" 1
38 1 1 G H4' 2 4 G H1' 1.800 . 5.900 3.251 3.197 3.323 . 0 0 "[ . 1]" 1
39 1 1 G H4' 2 4 G H8 1.800 . 6.400 4.882 4.695 5.012 . 0 0 "[ . 1]" 1
40 1 1 G H5' 1 1 G H8 1.800 . 6.200 5.252 5.024 5.490 . 0 0 "[ . 1]" 1
41 1 1 G H5' 1 1 G HO2' 1.800 . 5.800 5.292 5.043 5.453 . 0 0 "[ . 1]" 1
42 1 1 G H5' 1 3 A H2 1.800 . 7.700 5.853 5.615 6.169 . 0 0 "[ . 1]" 1
43 1 1 G H5' 2 4 G H1' 1.800 . 4.700 2.359 2.237 2.473 . 0 0 "[ . 1]" 1
44 1 1 G H5' 2 4 G H4' 1.800 . 3.900 2.361 2.213 2.783 . 0 0 "[ . 1]" 1
45 1 1 G H5' 2 4 G H8 1.800 . 7.100 4.956 4.815 5.210 . 0 0 "[ . 1]" 1
46 1 1 G H5'' 1 1 G H8 1.800 . 6.200 6.054 5.890 6.203 0.003 7 0 "[ . 1]" 1
47 1 1 G H5'' 1 1 G HO2' 1.800 . 5.800 5.985 5.729 6.107 0.307 8 0 "[ . 1]" 1
48 1 1 G H5'' 2 4 G H1' 1.800 . 5.000 2.418 2.285 2.562 . 0 0 "[ . 1]" 1
49 1 1 G H5'' 2 4 G H4' 1.800 . 4.900 2.237 2.181 2.328 . 0 0 "[ . 1]" 1
50 1 1 G H5'' 2 6 A H2 1.800 . 8.400 5.374 5.050 5.595 . 0 0 "[ . 1]" 1
51 1 1 G H8 1 1 G HO2' 1.800 . 3.500 3.118 2.449 4.069 0.569 5 1 "[ + 1]" 1
52 1 1 G H8 1 2 G H3' 1.800 . 7.900 8.030 7.949 8.135 0.235 6 0 "[ . 1]" 1
53 1 1 G H8 1 2 G H5' 1.800 . 8.400 6.855 5.759 7.430 . 0 0 "[ . 1]" 1
54 1 1 G H8 1 2 G H8 1.800 . 6.300 4.523 4.362 4.752 . 0 0 "[ . 1]" 1
55 1 1 G H8 1 11 G H1' 1.800 . 6.100 4.756 4.654 4.908 . 0 0 "[ . 1]" 1
56 1 1 G H8 1 11 G H8 1.800 . 8.300 7.210 7.043 7.403 . 0 0 "[ . 1]" 1
57 1 1 G H8 1 12 A H1' 1.800 . 8.000 3.582 3.478 3.703 . 0 0 "[ . 1]" 1
58 1 1 G H8 1 12 A H4' 1.800 . 8.000 4.584 4.415 4.974 . 0 0 "[ . 1]" 1
59 1 1 G H8 1 12 A H8 1.800 . 8.400 6.901 6.847 6.964 . 0 0 "[ . 1]" 1
60 1 1 G H8 2 4 G H1' 1.800 . 3.900 3.905 3.815 3.955 0.055 3 0 "[ . 1]" 1
61 1 1 G H8 2 4 G H4' 1.800 . 7.900 7.042 6.925 7.111 . 0 0 "[ . 1]" 1
62 1 1 G H8 2 4 G H8 1.800 . 6.400 6.458 6.382 6.522 0.122 3 0 "[ . 1]" 1
63 1 1 G H8 2 4 G HO2' 1.800 . 6.400 3.600 3.207 5.006 . 0 0 "[ . 1]" 1
64 1 1 G H8 2 5 G H4' 1.800 . 8.300 6.388 6.262 6.492 . 0 0 "[ . 1]" 1
65 1 1 G H8 2 6 A H2 1.800 . 5.900 2.816 2.783 2.839 . 0 0 "[ . 1]" 1
66 1 1 G H8 2 6 A H8 1.800 . 7.400 5.627 5.549 5.757 . 0 0 "[ . 1]" 1
67 1 1 G HO2' 1 2 G H5' 1.800 . 8.400 4.424 3.397 5.211 . 0 0 "[ . 1]" 1
68 1 1 G HO2' 1 2 G H8 1.800 . 6.100 3.342 2.548 4.522 . 0 0 "[ . 1]" 1
69 1 1 G HO2' 2 4 G H1' 1.800 . 5.900 4.812 4.612 5.076 . 0 0 "[ . 1]" 1
70 1 2 G H1' 1 2 G H3' 1.800 . 5.100 3.977 3.932 4.007 . 0 0 "[ . 1]" 1
71 1 2 G H1' 1 2 G H4' 1.800 . 3.900 3.384 3.228 3.586 . 0 0 "[ . 1]" 1
72 1 2 G H1' 1 2 G H5' 1.800 . 7.000 4.786 4.145 4.971 . 0 0 "[ . 1]" 1
73 1 2 G H1' 1 2 G H5'' 1.800 . 6.300 4.407 4.271 4.950 . 0 0 "[ . 1]" 1
74 1 2 G H1' 1 2 G H8 1.800 . 4.900 3.901 3.886 3.916 . 0 0 "[ . 1]" 1
75 1 2 G H1' 1 2 G HO2' 1.800 . 3.900 2.993 2.127 3.394 . 0 0 "[ . 1]" 1
76 1 2 G H1' 1 3 A H1' 1.800 . 7.300 5.613 5.243 6.200 . 0 0 "[ . 1]" 1
77 1 2 G H1' 1 3 A H2 1.800 . 7.100 5.477 5.077 6.026 . 0 0 "[ . 1]" 1
78 1 2 G H1' 1 3 A H3' 1.800 . 5.900 3.114 2.925 3.244 . 0 0 "[ . 1]" 1
79 1 2 G H1' 1 3 A H4' 1.800 . 7.200 4.760 4.645 4.902 . 0 0 "[ . 1]" 1
80 1 2 G H1' 1 3 A H5' 1.800 . 4.800 2.301 2.188 2.540 . 0 0 "[ . 1]" 1
81 1 2 G H1' 1 3 A H8 1.800 . 5.100 4.292 3.954 4.888 . 0 0 "[ . 1]" 1
82 1 2 G H1' 1 3 A HO2' 1.800 . 6.000 6.459 6.027 7.178 1.178 10 4 "[- * *+]" 1
83 1 2 G H1' 1 4 G H8 1.800 . 6.400 4.881 4.604 5.292 . 0 0 "[ . 1]" 1
84 1 2 G H1' 3 5 LYS QE 1.800 . 7.500 6.624 6.350 6.803 . 0 0 "[ . 1]" 1
85 1 2 G H3' 1 2 G H4' 1.800 . 3.500 2.840 2.785 2.879 . 0 0 "[ . 1]" 1
86 1 2 G H3' 1 2 G H5' 1.800 . 4.700 2.263 2.114 3.230 . 0 0 "[ . 1]" 1
87 1 2 G H3' 1 2 G H8 1.800 . 4.000 3.908 3.733 3.995 . 0 0 "[ . 1]" 1
88 1 2 G H3' 1 2 G HO2' 1.800 . 3.300 3.374 2.909 3.861 0.561 7 1 "[ . + 1]" 1
89 1 2 G H3' 1 3 A H2 1.800 . 6.300 5.685 5.353 6.160 . 0 0 "[ . 1]" 1
90 1 2 G H3' 1 3 A H5' 1.800 . 7.000 4.493 4.353 4.726 . 0 0 "[ . 1]" 1
91 1 2 G H4' 1 2 G H5'' 1.800 . 3.500 2.863 2.231 3.017 . 0 0 "[ . 1]" 1
92 1 2 G H4' 1 2 G H8 1.800 . 5.800 4.637 4.581 4.733 . 0 0 "[ . 1]" 1
93 1 2 G H4' 1 2 G HO2' 1.800 . 4.800 4.707 3.879 5.071 0.271 9 0 "[ . 1]" 1
94 1 2 G H4' 1 3 A H1' 1.800 . 5.800 5.730 5.611 5.951 0.151 8 0 "[ . 1]" 1
95 1 2 G H4' 1 3 A H2 1.800 . 5.100 2.994 2.651 3.472 . 0 0 "[ . 1]" 1
96 1 2 G H4' 1 3 A H3' 1.800 . 6.300 5.247 4.901 5.566 . 0 0 "[ . 1]" 1
97 1 2 G H4' 1 3 A H4' 1.800 . 6.300 5.135 4.835 5.402 . 0 0 "[ . 1]" 1
98 1 2 G H4' 1 3 A H5' 1.800 . 4.900 3.866 3.342 4.279 . 0 0 "[ . 1]" 1
99 1 2 G H4' 1 3 A H8 1.800 . 6.100 6.182 6.069 6.246 0.146 8 0 "[ . 1]" 1
100 1 2 G H4' 1 3 A HO2' 1.800 . 6.500 7.333 6.875 7.898 1.398 2 7 "[ +* - ****]" 1
101 1 2 G H4' 2 4 G H8 1.800 . 7.300 6.874 6.680 7.151 . 0 0 "[ . 1]" 1
102 1 2 G H5' 1 2 G H8 1.800 . 5.900 3.631 2.648 4.291 . 0 0 "[ . 1]" 1
103 1 2 G H5' 1 3 A H2 1.800 . 5.200 4.745 4.001 5.060 . 0 0 "[ . 1]" 1
104 1 2 G H5' 1 3 A H5' 1.800 . 8.300 5.813 5.461 6.044 . 0 0 "[ . 1]" 1
105 1 2 G H5'' 1 2 G H8 1.800 . 5.900 2.852 2.523 4.350 . 0 0 "[ . 1]" 1
106 1 2 G H5'' 1 3 A H2 1.800 . 5.800 4.328 2.490 4.879 . 0 0 "[ . 1]" 1
107 1 2 G H5'' 1 3 A H3' 1.800 . 9.000 7.043 6.270 7.436 . 0 0 "[ . 1]" 1
108 1 2 G H5'' 1 3 A H5' 1.800 . 7.300 5.815 5.331 6.002 . 0 0 "[ . 1]" 1
109 1 2 G H5'' 1 3 A H8 1.800 . 7.800 7.483 6.650 7.818 0.018 5 0 "[ . 1]" 1
110 1 2 G H8 1 2 G HO2' 1.800 . 3.300 4.618 3.982 5.043 1.743 3 10 [**+******-] 1
111 1 2 G H8 1 3 A H1' 1.800 . 8.800 8.882 8.784 9.018 0.218 5 0 "[ . 1]" 1
112 1 2 G H8 1 3 A H2 1.800 . 7.600 6.561 6.450 6.700 . 0 0 "[ . 1]" 1
113 1 2 G H8 1 3 A H3' 1.800 . 7.700 6.896 6.623 7.011 . 0 0 "[ . 1]" 1
114 1 2 G H8 1 3 A H5' 1.800 . 8.200 5.875 5.732 6.148 . 0 0 "[ . 1]" 1
115 1 2 G H8 1 12 A H1' 1.800 . 8.000 5.668 5.564 5.809 . 0 0 "[ . 1]" 1
116 1 2 G H8 2 4 G H1' 1.800 . 7.200 5.184 5.074 5.378 . 0 0 "[ . 1]" 1
117 1 2 G H8 3 2 GLN QG 1.800 . 7.300 4.970 4.933 5.026 . 0 0 "[ . 1]" 1
118 1 2 G H8 3 3 TRP HD1 1.800 . 7.500 6.614 6.568 6.677 . 0 0 "[ . 1]" 1
119 1 2 G H8 3 3 TRP HH2 1.800 . 8.500 8.786 8.753 8.850 0.350 9 0 "[ . 1]" 1
120 1 2 G H8 3 3 TRP HZ2 1.800 . 7.500 6.499 6.459 6.556 . 0 0 "[ . 1]" 1
121 1 2 G H8 3 5 LYS QE 1.800 . 8.200 7.598 7.541 7.681 . 0 0 "[ . 1]" 1
122 1 2 G H8 3 5 LYS QG 1.800 . 8.100 6.923 6.889 6.975 . 0 0 "[ . 1]" 1
123 1 2 G H8 3 6 PRO QB 1.800 . 8.400 7.696 7.613 7.725 . 0 0 "[ . 1]" 1
124 1 3 A H1' 1 3 A H3' 1.800 . 4.900 3.793 3.774 3.807 . 0 0 "[ . 1]" 1
125 1 3 A H1' 1 3 A H4' 1.800 . 3.800 3.686 3.680 3.695 . 0 0 "[ . 1]" 1
126 1 3 A H1' 1 3 A H5' 1.800 . 6.000 4.957 4.836 5.077 . 0 0 "[ . 1]" 1
127 1 3 A H1' 1 3 A H5'' 1.800 . 5.900 4.267 4.206 4.315 . 0 0 "[ . 1]" 1
128 1 3 A H1' 1 3 A H8 1.800 . 4.700 3.478 3.392 3.546 . 0 0 "[ . 1]" 1
129 1 3 A H1' 1 3 A HO2' 1.800 . 3.700 2.879 2.106 3.471 . 0 0 "[ . 1]" 1
130 1 3 A H1' 1 4 G Q5' 1.800 . 6.400 4.855 4.815 4.902 . 0 0 "[ . 1]" 1
131 1 3 A H1' 1 4 G H8 1.800 . 6.200 5.487 5.385 5.596 . 0 0 "[ . 1]" 1
132 1 3 A H1' 2 3 A H2 1.800 . 3.700 3.269 2.944 3.602 . 0 0 "[ . 1]" 1
133 1 3 A H2 1 3 A H5' 1.800 . 7.700 5.988 5.676 6.124 . 0 0 "[ . 1]" 1
134 1 3 A H2 1 3 A H5'' 1.800 . 7.100 4.326 3.914 4.579 . 0 0 "[ . 1]" 1
135 1 3 A H2 2 3 A H1' 1.800 . 3.700 3.353 2.949 3.593 . 0 0 "[ . 1]" 1
136 1 3 A H2 2 3 A H3' 1.800 . 6.300 6.176 6.059 6.230 . 0 0 "[ . 1]" 1
137 1 3 A H2 2 3 A H4' 1.800 . 7.100 6.788 6.471 6.962 . 0 0 "[ . 1]" 1
138 1 3 A H2 2 3 A HO2' 1.800 . 3.900 4.568 3.689 5.382 1.482 1 5 "[+ **.- *1]" 1
139 1 3 A H2 2 4 G H4' 1.800 . 8.200 6.305 6.097 6.463 . 0 0 "[ . 1]" 1
140 1 3 A H2 2 4 G Q5' 1.800 . 6.400 6.088 5.960 6.190 . 0 0 "[ . 1]" 1
141 1 3 A H2 2 4 G H8 1.800 . 5.700 5.954 5.906 5.987 0.287 2 0 "[ . 1]" 1
142 1 3 A H3' 1 3 A H4' 1.800 . 4.800 3.020 3.007 3.033 . 0 0 "[ . 1]" 1
143 1 3 A H3' 1 3 A H5' 1.800 . 3.900 2.281 2.132 2.454 . 0 0 "[ . 1]" 1
144 1 3 A H3' 1 3 A H5'' 1.800 . 3.900 3.048 2.861 3.231 . 0 0 "[ . 1]" 1
145 1 3 A H3' 1 3 A H8 1.800 . 3.500 2.701 2.597 2.841 . 0 0 "[ . 1]" 1
146 1 3 A H3' 1 3 A HO2' 1.800 . 3.700 3.671 3.356 4.078 0.378 10 0 "[ . 1]" 1
147 1 3 A H3' 1 4 G H1' 1.800 . 7.800 6.091 6.017 6.301 . 0 0 "[ . 1]" 1
148 1 3 A H3' 1 4 G Q5' 1.800 . 5.900 2.109 2.013 2.366 . 0 0 "[ . 1]" 1
149 1 3 A H3' 1 4 G H8 1.800 . 5.000 4.113 4.044 4.218 . 0 0 "[ . 1]" 1
150 1 3 A H3' 2 3 A H2 1.800 . 6.300 6.182 6.065 6.236 . 0 0 "[ . 1]" 1
151 1 3 A H4' 1 3 A H5' 1.800 . 3.900 2.779 2.676 2.878 . 0 0 "[ . 1]" 1
152 1 3 A H4' 1 3 A H5'' 1.800 . 3.400 2.913 2.839 2.984 . 0 0 "[ . 1]" 1
153 1 3 A H4' 1 3 A H8 1.800 . 5.800 5.108 5.051 5.184 . 0 0 "[ . 1]" 1
154 1 3 A H4' 1 4 G H8 1.800 . 7.300 6.924 6.865 6.990 . 0 0 "[ . 1]" 1
155 1 3 A H4' 2 3 A H2 1.800 . 7.100 6.722 6.475 6.963 . 0 0 "[ . 1]" 1
156 1 3 A H5' 1 3 A H8 1.800 . 4.900 4.625 4.279 4.946 0.046 8 0 "[ . 1]" 1
157 1 3 A H5' 1 3 A HO2' 1.800 . 5.800 5.033 4.583 5.692 . 0 0 "[ . 1]" 1
158 1 3 A H5' 1 4 G Q5' 1.800 . 8.000 3.970 3.725 4.377 . 0 0 "[ . 1]" 1
159 1 3 A H5' 1 4 G H8 1.800 . 7.200 5.840 5.504 6.195 . 0 0 "[ . 1]" 1
160 1 3 A H5'' 1 3 A H8 1.800 . 5.100 4.673 4.513 4.846 . 0 0 "[ . 1]" 1
161 1 3 A H5'' 1 4 G H8 1.800 . 6.300 6.081 5.864 6.307 0.007 3 0 "[ . 1]" 1
162 1 3 A H8 1 3 A HO2' 1.800 . 3.400 4.464 4.163 4.707 1.307 6 10 [*****+***-] 1
163 1 3 A H8 1 4 G H1' 1.800 . 8.100 4.201 4.063 4.338 . 0 0 "[ . 1]" 1
164 1 3 A H8 1 4 G H4' 1.800 . 8.000 4.240 4.144 4.327 . 0 0 "[ . 1]" 1
165 1 3 A H8 1 4 G Q5' 1.800 . 5.800 2.609 2.451 2.717 . 0 0 "[ . 1]" 1
166 1 3 A H8 1 4 G H8 1.800 . 3.900 2.056 1.998 2.106 . 0 0 "[ . 1]" 1
167 1 3 A H8 2 1 G H1' 1.800 . 7.700 5.932 5.713 6.224 . 0 0 "[ . 1]" 1
168 1 3 A HO2' 1 4 G H1' 1.800 . 8.000 6.966 6.020 7.655 . 0 0 "[ . 1]" 1
169 1 3 A HO2' 1 4 G H4' 1.800 . 5.100 4.743 3.777 5.572 0.472 4 0 "[ . 1]" 1
170 1 3 A HO2' 1 4 G Q5' 1.800 . 5.100 4.263 3.803 4.789 . 0 0 "[ . 1]" 1
171 1 3 A HO2' 1 4 G H8 1.800 . 4.800 6.342 5.862 6.674 1.874 6 10 [*****+**-*] 1
172 1 3 A HO2' 2 3 A H2 1.800 . 3.900 4.657 3.553 5.357 1.457 3 7 "[ *+*.***-1]" 1
173 1 4 G H1' 1 4 G H4' 1.800 . 4.800 3.507 3.464 3.547 . 0 0 "[ . 1]" 1
174 1 4 G H1' 1 4 G Q5' 1.800 . 6.000 4.038 4.025 4.051 . 0 0 "[ . 1]" 1
175 1 4 G H1' 1 4 G H8 1.800 . 3.800 3.308 3.288 3.321 . 0 0 "[ . 1]" 1
176 1 4 G H1' 1 4 G HO2' 1.800 . 3.600 2.752 1.915 3.301 . 0 0 "[ . 1]" 1
177 1 4 G H1' 1 5 G H1' 1.800 . 7.800 7.036 6.959 7.101 . 0 0 "[ . 1]" 1
178 1 4 G H1' 1 5 G H4' 1.800 . 7.600 6.573 6.517 6.659 . 0 0 "[ . 1]" 1
179 1 4 G H1' 1 5 G Q5' 1.800 . 7.200 4.150 4.122 4.203 . 0 0 "[ . 1]" 1
180 1 4 G H1' 1 5 G H8 1.800 . 5.800 5.149 5.089 5.234 . 0 0 "[ . 1]" 1
181 1 4 G H1' 1 6 A H2 1.800 . 4.900 3.213 3.079 3.559 . 0 0 "[ . 1]" 1
182 1 4 G H1' 2 1 G H1' 1.800 . 5.800 3.381 3.303 3.444 . 0 0 "[ . 1]" 1
183 1 4 G H1' 2 1 G H3' 1.800 . 5.700 3.599 3.436 3.861 . 0 0 "[ . 1]" 1
184 1 4 G H1' 2 1 G H4' 1.800 . 5.900 3.255 3.157 3.332 . 0 0 "[ . 1]" 1
185 1 4 G H1' 2 1 G H5' 1.800 . 4.700 2.398 2.261 2.556 . 0 0 "[ . 1]" 1
186 1 4 G H1' 2 1 G H5'' 1.800 . 5.000 2.392 2.286 2.531 . 0 0 "[ . 1]" 1
187 1 4 G H1' 2 1 G H8 1.800 . 3.900 3.929 3.908 3.970 0.070 3 0 "[ . 1]" 1
188 1 4 G H1' 2 1 G HO2' 1.800 . 5.900 4.792 4.651 5.192 . 0 0 "[ . 1]" 1
189 1 4 G H1' 2 2 G H8 1.800 . 7.200 5.150 5.071 5.372 . 0 0 "[ . 1]" 1
190 1 4 G H4' 1 4 G Q5' 1.800 . 3.600 2.507 2.487 2.534 . 0 0 "[ . 1]" 1
191 1 4 G H4' 1 4 G H8 1.800 . 6.000 4.621 4.577 4.643 . 0 0 "[ . 1]" 1
192 1 4 G H4' 1 4 G HO2' 1.800 . 5.100 3.575 2.800 4.289 . 0 0 "[ . 1]" 1
193 1 4 G H4' 1 5 G H8 1.800 . 6.000 5.076 5.020 5.123 . 0 0 "[ . 1]" 1
194 1 4 G H4' 1 6 A H2 1.800 . 7.200 5.531 5.445 5.753 . 0 0 "[ . 1]" 1
195 1 4 G H4' 2 1 G H5' 1.800 . 3.900 2.378 2.200 2.774 . 0 0 "[ . 1]" 1
196 1 4 G H4' 2 1 G H5'' 1.800 . 4.900 2.281 2.178 2.410 . 0 0 "[ . 1]" 1
197 1 4 G H4' 2 1 G H8 1.800 . 7.900 7.082 7.042 7.117 . 0 0 "[ . 1]" 1
198 1 4 G H4' 2 3 A H2 1.800 . 8.200 6.291 6.180 6.439 . 0 0 "[ . 1]" 1
199 1 4 G Q5' 1 4 G H8 1.800 . 4.000 3.130 2.993 3.212 . 0 0 "[ . 1]" 1
200 1 4 G Q5' 1 4 G HO2' 1.800 . 6.400 4.751 4.350 5.124 . 0 0 "[ . 1]" 1
201 1 4 G Q5' 1 5 G Q5' 1.800 . 6.000 4.453 4.404 4.521 . 0 0 "[ . 1]" 1
202 1 4 G Q5' 1 5 G H8 1.800 . 6.300 3.114 3.021 3.186 . 0 0 "[ . 1]" 1
203 1 4 G Q5' 1 6 A H3' 1.800 . 9.000 8.561 8.482 8.618 . 0 0 "[ . 1]" 1
204 1 4 G Q5' 2 3 A H2 1.800 . 6.400 6.132 6.028 6.207 . 0 0 "[ . 1]" 1
205 1 4 G H8 1 4 G HO2' 1.800 . 5.900 5.668 5.120 6.007 0.107 10 0 "[ . 1]" 1
206 1 4 G H8 1 5 G H8 1.800 . 7.200 5.051 4.967 5.122 . 0 0 "[ . 1]" 1
207 1 4 G H8 1 6 A H2 1.800 . 7.600 5.554 5.438 5.815 . 0 0 "[ . 1]" 1
208 1 4 G H8 2 1 G H1' 1.800 . 7.200 5.268 5.135 5.335 . 0 0 "[ . 1]" 1
209 1 4 G H8 2 1 G H3' 1.800 . 7.200 6.598 6.416 6.885 . 0 0 "[ . 1]" 1
210 1 4 G H8 2 1 G H4' 1.800 . 6.400 4.926 4.816 5.085 . 0 0 "[ . 1]" 1
211 1 4 G H8 2 1 G H5' 1.800 . 7.100 4.969 4.805 5.322 . 0 0 "[ . 1]" 1
212 1 4 G H8 2 1 G H8 1.800 . 6.400 6.469 6.427 6.523 0.123 3 0 "[ . 1]" 1
213 1 4 G H8 2 2 G H4' 1.800 . 7.300 6.798 6.660 7.062 . 0 0 "[ . 1]" 1
214 1 4 G H8 2 3 A H2 1.800 . 5.700 5.963 5.892 5.995 0.295 1 0 "[ . 1]" 1
215 1 4 G HO2' 1 5 G H1' 1.800 . 6.500 6.100 5.400 6.786 0.286 1 0 "[ . 1]" 1
216 1 4 G HO2' 1 5 G H4' 1.800 . 4.900 4.692 3.976 5.526 0.626 1 2 "[+ -. 1]" 1
217 1 4 G HO2' 1 5 G Q5' 1.800 . 3.900 2.301 1.768 3.078 0.032 6 0 "[ . 1]" 1
218 1 4 G HO2' 1 5 G H8 1.800 . 3.500 5.157 4.934 5.478 1.978 9 10 [******-*+*] 1
219 1 4 G HO2' 1 6 A H2 1.800 . 3.400 2.795 1.930 3.519 0.119 8 0 "[ . 1]" 1
220 1 4 G HO2' 1 6 A H3' 1.800 . 10.100 7.086 6.264 7.817 . 0 0 "[ . 1]" 1
221 1 4 G HO2' 1 6 A H8 1.800 . 8.900 7.762 6.919 8.525 . 0 0 "[ . 1]" 1
222 1 4 G HO2' 1 6 A HO2' 1.800 . 7.700 7.592 5.629 8.729 1.029 6 3 "[ *.+ - 1]" 1
223 1 4 G HO2' 2 1 G H8 1.800 . 6.400 4.269 3.504 5.157 . 0 0 "[ . 1]" 1
224 1 5 G H1' 1 5 G H4' 1.800 . 4.000 2.817 2.777 2.861 . 0 0 "[ . 1]" 1
225 1 5 G H1' 1 5 G Q5' 1.800 . 5.800 3.982 3.971 3.992 . 0 0 "[ . 1]" 1
226 1 5 G H1' 1 5 G H8 1.800 . 4.900 3.880 3.873 3.894 . 0 0 "[ . 1]" 1
227 1 5 G H1' 1 5 G HO2' 1.800 . 4.000 2.800 2.187 3.383 . 0 0 "[ . 1]" 1
228 1 5 G H1' 1 6 A H2 1.800 . 5.700 4.531 4.319 4.646 . 0 0 "[ . 1]" 1
229 1 5 G H1' 1 6 A H3' 1.800 . 6.000 2.565 2.493 2.632 . 0 0 "[ . 1]" 1
230 1 5 G H1' 1 6 A H4' 1.800 . 6.200 5.109 4.945 5.225 . 0 0 "[ . 1]" 1
231 1 5 G H1' 1 6 A Q5' 1.800 . 4.000 3.950 3.879 3.983 . 0 0 "[ . 1]" 1
232 1 5 G H1' 1 6 A HO2' 1.800 . 6.000 4.871 4.050 5.908 . 0 0 "[ . 1]" 1
233 1 5 G H1' 1 7 G H8 1.800 . 6.000 4.011 3.963 4.039 . 0 0 "[ . 1]" 1
234 1 5 G H1' 1 7 G HO2' 1.800 . 7.700 4.687 3.662 5.681 . 0 0 "[ . 1]" 1
235 1 5 G H1' 3 5 LYS QE 1.800 . 7.200 4.934 4.910 4.978 . 0 0 "[ . 1]" 1
236 1 5 G H1' 3 5 LYS QG 1.800 . 7.800 7.047 7.017 7.090 . 0 0 "[ . 1]" 1
237 1 5 G H3' 1 5 G H8 1.800 . 4.000 4.215 4.179 4.243 0.243 2 0 "[ . 1]" 1
238 1 5 G H3' 1 5 G HO2' 1.800 . 3.400 3.412 2.828 3.864 0.464 5 0 "[ . 1]" 1
239 1 5 G H3' 3 3 TRP HD1 1.800 . 7.700 7.881 7.868 7.898 0.198 1 0 "[ . 1]" 1
240 1 5 G H3' 3 5 LYS QD 1.800 . 7.700 6.311 6.241 6.377 . 0 0 "[ . 1]" 1
241 1 5 G H3' 3 5 LYS QE 1.800 . 8.300 5.007 4.978 5.028 . 0 0 "[ . 1]" 1
242 1 5 G H4' 1 5 G Q5' 1.800 . 3.300 2.117 2.113 2.127 . 0 0 "[ . 1]" 1
243 1 5 G H4' 1 6 A H2 1.800 . 4.200 4.043 3.852 4.182 . 0 0 "[ . 1]" 1
244 1 5 G H4' 1 6 A H3' 1.800 . 6.200 3.262 3.002 3.477 . 0 0 "[ . 1]" 1
245 1 5 G H4' 1 6 A HO2' 1.800 . 5.900 5.611 4.932 6.460 0.560 3 1 "[ + . 1]" 1
246 1 5 G H4' 1 7 G H8 1.800 . 7.500 5.544 5.469 5.643 . 0 0 "[ . 1]" 1
247 1 5 G H4' 2 1 G H8 1.800 . 8.300 6.399 6.303 6.485 . 0 0 "[ . 1]" 1
248 1 5 G Q5' 1 5 G H8 1.800 . 5.100 3.781 3.731 3.835 . 0 0 "[ . 1]" 1
249 1 5 G Q5' 1 5 G HO2' 1.800 . 4.900 5.158 4.851 5.384 0.484 1 0 "[ . 1]" 1
250 1 5 G Q5' 1 6 A H2 1.800 . 3.800 2.955 2.906 2.989 . 0 0 "[ . 1]" 1
251 1 5 G Q5' 1 6 A H4' 1.800 . 7.100 5.841 5.783 5.897 . 0 0 "[ . 1]" 1
252 1 5 G Q5' 1 6 A Q5' 1.800 . 5.100 3.112 3.011 3.210 . 0 0 "[ . 1]" 1
253 1 5 G Q5' 1 6 A H8 1.800 . 7.200 6.530 6.411 6.741 . 0 0 "[ . 1]" 1
254 1 5 G H8 1 5 G HO2' 1.800 . 3.400 4.492 4.041 5.031 1.631 4 10 [***+*-****] 1
255 1 5 G H8 1 6 A H2 1.800 . 4.800 4.632 4.530 4.731 . 0 0 "[ . 1]" 1
256 1 5 G H8 3 2 GLN HA 1.800 . 7.600 4.291 4.273 4.331 . 0 0 "[ . 1]" 1
257 1 5 G H8 3 2 GLN QG 1.800 . 7.700 6.255 6.236 6.280 . 0 0 "[ . 1]" 1
258 1 5 G H8 3 3 TRP QB 1.800 . 7.500 4.533 4.518 4.554 . 0 0 "[ . 1]" 1
259 1 5 G H8 3 3 TRP HD1 1.800 . 7.500 4.314 4.291 4.343 . 0 0 "[ . 1]" 1
260 1 5 G H8 3 3 TRP HH2 1.800 . 10.100 10.387 10.369 10.407 0.307 3 0 "[ . 1]" 1
261 1 5 G H8 3 3 TRP HZ3 1.800 . 9.700 10.002 9.994 10.011 0.311 10 0 "[ . 1]" 1
262 1 5 G H8 3 4 ASN QB 1.800 . 8.000 7.323 7.314 7.328 . 0 0 "[ . 1]" 1
263 1 5 G H8 3 5 LYS QD 1.800 . 7.300 5.470 5.433 5.515 . 0 0 "[ . 1]" 1
264 1 5 G H8 3 5 LYS QE 1.800 . 6.200 3.471 3.445 3.500 . 0 0 "[ . 1]" 1
265 1 5 G H8 3 5 LYS QG 1.800 . 7.400 5.355 5.314 5.388 . 0 0 "[ . 1]" 1
266 1 5 G H8 3 6 PRO QG 1.800 . 9.800 9.027 9.016 9.049 . 0 0 "[ . 1]" 1
267 1 5 G HO2' 1 6 A H2 1.800 . 6.100 6.890 6.515 7.267 1.167 8 8 "[*** .**+-*]" 1
268 1 5 G HO2' 3 2 GLN QB 1.800 . 8.300 7.407 6.657 8.304 0.004 4 0 "[ . 1]" 1
269 1 5 G HO2' 3 3 TRP HD1 1.800 . 7.700 6.220 5.369 7.124 . 0 0 "[ . 1]" 1
270 1 5 G HO2' 3 5 LYS QD 1.800 . 7.300 4.515 3.748 5.399 . 0 0 "[ . 1]" 1
271 1 5 G HO2' 3 5 LYS QE 1.800 . 7.300 3.621 2.840 4.628 . 0 0 "[ . 1]" 1
272 1 5 G HO2' 3 5 LYS QG 1.800 . 7.600 5.860 5.132 6.828 . 0 0 "[ . 1]" 1
273 1 6 A H1' 1 6 A H2 1.800 . 7.800 5.760 5.682 5.941 . 0 0 "[ . 1]" 1
274 1 6 A H1' 1 6 A H3' 1.800 . 5.700 3.952 3.908 4.020 . 0 0 "[ . 1]" 1
275 1 6 A H1' 1 6 A H4' 1.800 . 4.900 3.579 3.479 3.622 . 0 0 "[ . 1]" 1
276 1 6 A H1' 1 6 A H8 1.800 . 3.200 2.797 2.660 2.863 . 0 0 "[ . 1]" 1
277 1 6 A H1' 1 6 A HO2' 1.800 . 4.700 2.397 1.923 3.219 . 0 0 "[ . 1]" 1
278 1 6 A H1' 1 7 G H5' 1.800 . 8.900 5.513 4.634 5.832 . 0 0 "[ . 1]" 1
279 1 6 A H1' 1 7 G H8 1.800 . 6.200 3.703 3.559 4.082 . 0 0 "[ . 1]" 1
280 1 6 A H1' 1 7 G HO2' 1.800 . 7.700 7.167 6.586 7.635 . 0 0 "[ . 1]" 1
281 1 6 A H1' 2 10 G H1' 1.800 . 6.300 3.525 3.455 3.605 . 0 0 "[ . 1]" 1
282 1 6 A H1' 2 10 G H3' 1.800 . 7.100 6.053 5.955 6.153 . 0 0 "[ . 1]" 1
283 1 6 A H1' 2 10 G HO2' 1.800 . 6.200 3.099 2.470 4.078 . 0 0 "[ . 1]" 1
284 1 6 A H1' 2 11 G H1' 1.800 . 6.000 4.149 4.018 4.369 . 0 0 "[ . 1]" 1
285 1 6 A H1' 2 11 G H3' 1.800 . 8.200 6.209 6.079 6.321 . 0 0 "[ . 1]" 1
286 1 6 A H1' 2 11 G H4' 1.800 . 4.800 4.037 3.699 4.240 . 0 0 "[ . 1]" 1
287 1 6 A H1' 2 11 G H5' 1.800 . 6.300 3.933 3.469 4.174 . 0 0 "[ . 1]" 1
288 1 6 A H1' 2 11 G H5'' 1.800 . 5.900 5.456 5.105 5.660 . 0 0 "[ . 1]" 1
289 1 6 A H1' 2 11 G H8 1.800 . 6.500 5.235 5.025 5.578 . 0 0 "[ . 1]" 1
290 1 6 A H1' 2 11 G HO2' 1.800 . 7.800 7.207 6.836 7.474 . 0 0 "[ . 1]" 1
291 1 6 A H1' 2 12 A H1' 1.800 . 6.300 5.586 5.473 5.870 . 0 0 "[ . 1]" 1
292 1 6 A H1' 2 12 A H5' 1.800 . 8.300 5.324 4.888 5.815 . 0 0 "[ . 1]" 1
293 1 6 A H1' 2 12 A H5'' 1.800 . 7.200 6.534 6.335 6.726 . 0 0 "[ . 1]" 1
294 1 6 A H1' 2 12 A H8 1.800 . 7.400 7.749 7.695 7.835 0.435 3 0 "[ . 1]" 1
295 1 6 A H2 1 6 A H3' 1.800 . 7.400 5.204 4.777 5.379 . 0 0 "[ . 1]" 1
296 1 6 A H2 1 6 A H4' 1.800 . 7.400 6.921 6.575 7.046 . 0 0 "[ . 1]" 1
297 1 6 A H2 1 6 A Q5' 1.800 . 6.000 4.527 4.240 4.718 . 0 0 "[ . 1]" 1
298 1 6 A H2 1 6 A HO2' 1.800 . 6.000 5.042 3.778 6.011 0.011 3 0 "[ . 1]" 1
299 1 6 A H2 1 7 G H8 1.800 . 7.200 5.467 5.225 5.600 . 0 0 "[ . 1]" 1
300 1 6 A H2 2 1 G H5'' 1.800 . 8.400 5.383 5.111 5.539 . 0 0 "[ . 1]" 1
301 1 6 A H2 2 1 G H8 1.800 . 5.900 2.813 2.805 2.827 . 0 0 "[ . 1]" 1
302 1 6 A H2 2 11 G H1' 1.800 . 7.300 6.581 6.450 6.648 . 0 0 "[ . 1]" 1
303 1 6 A H2 2 12 A H1' 1.800 . 9.100 6.049 5.983 6.087 . 0 0 "[ . 1]" 1
304 1 6 A H2 2 12 A H2 1.800 . 7.800 7.984 7.921 8.045 0.245 3 0 "[ . 1]" 1
305 1 6 A H2 2 12 A H4' 1.800 . 7.700 6.171 6.032 6.616 . 0 0 "[ . 1]" 1
306 1 6 A H2 2 12 A H8 1.800 . 9.200 9.391 9.352 9.427 0.227 5 0 "[ . 1]" 1
307 1 6 A H3' 1 6 A H4' 1.800 . 3.800 2.736 2.686 2.795 . 0 0 "[ . 1]" 1
308 1 6 A H3' 1 6 A Q5' 1.800 . 3.800 2.842 2.705 2.973 . 0 0 "[ . 1]" 1
309 1 6 A H3' 1 6 A H8 1.800 . 6.100 6.051 6.026 6.079 . 0 0 "[ . 1]" 1
310 1 6 A H3' 1 6 A HO2' 1.800 . 3.700 3.422 3.282 3.661 . 0 0 "[ . 1]" 1
311 1 6 A H3' 1 7 G H1' 1.800 . 7.800 5.597 5.398 5.826 . 0 0 "[ . 1]" 1
312 1 6 A H3' 1 7 G H3' 1.800 . 6.100 3.967 3.768 4.177 . 0 0 "[ . 1]" 1
313 1 6 A H3' 1 7 G H4' 1.800 . 7.500 6.231 6.067 6.448 . 0 0 "[ . 1]" 1
314 1 6 A H3' 1 7 G H5' 1.800 . 7.000 6.254 5.794 6.439 . 0 0 "[ . 1]" 1
315 1 6 A H3' 1 7 G H5'' 1.800 . 7.100 5.553 5.130 6.468 . 0 0 "[ . 1]" 1
316 1 6 A H3' 1 7 G H8 1.800 . 3.500 2.858 2.604 3.013 . 0 0 "[ . 1]" 1
317 1 6 A H3' 1 7 G HO2' 1.800 . 4.800 4.317 3.432 5.184 0.384 4 0 "[ . 1]" 1
318 1 6 A H3' 1 8 G H8 1.800 . 7.900 6.235 5.981 6.418 . 0 0 "[ . 1]" 1
319 1 6 A H3' 2 10 G H1' 1.800 . 5.200 4.800 4.658 4.984 . 0 0 "[ . 1]" 1
320 1 6 A H4' 1 6 A Q5' 1.800 . 3.600 2.279 2.204 2.317 . 0 0 "[ . 1]" 1
321 1 6 A H4' 1 6 A H8 1.800 . 6.200 5.066 4.967 5.249 . 0 0 "[ . 1]" 1
322 1 6 A H4' 1 6 A HO2' 1.800 . 5.100 4.515 3.912 5.084 . 0 0 "[ . 1]" 1
323 1 6 A H4' 1 7 G H3' 1.800 . 8.100 4.034 3.781 4.185 . 0 0 "[ . 1]" 1
324 1 6 A H4' 1 7 G H5'' 1.800 . 7.100 4.689 4.255 5.728 . 0 0 "[ . 1]" 1
325 1 6 A H4' 1 7 G H8 1.800 . 6.100 4.698 4.563 4.800 . 0 0 "[ . 1]" 1
326 1 6 A H4' 1 7 G HO2' 1.800 . 7.300 5.923 5.302 6.655 . 0 0 "[ . 1]" 1
327 1 6 A H4' 2 10 G H1' 1.800 . 7.800 5.026 4.894 5.230 . 0 0 "[ . 1]" 1
328 1 6 A H4' 2 10 G HO2' 1.800 . 6.500 5.108 4.547 5.979 . 0 0 "[ . 1]" 1
329 1 6 A H4' 2 12 A H1' 1.800 . 8.600 8.864 8.800 8.946 0.346 3 0 "[ . 1]" 1
330 1 6 A H4' 2 12 A H5'' 1.800 . 8.800 8.868 8.463 9.182 0.382 4 0 "[ . 1]" 1
331 1 6 A Q5' 1 6 A HO2' 1.800 . 3.900 4.611 4.460 4.834 0.934 3 10 [*-+*******] 1
332 1 6 A Q5' 1 7 G H3' 1.800 . 7.300 5.556 5.337 5.703 . 0 0 "[ . 1]" 1
333 1 6 A Q5' 1 7 G H8 1.800 . 5.100 4.949 4.912 5.024 . 0 0 "[ . 1]" 1
334 1 6 A Q5' 1 7 G HO2' 1.800 . 6.000 6.485 5.749 7.292 1.292 4 5 "[ +-*** 1]" 1
335 1 6 A H8 1 6 A HO2' 1.800 . 5.000 4.902 4.395 5.411 0.411 5 0 "[ . 1]" 1
336 1 6 A H8 1 7 G H8 1.800 . 7.100 6.338 6.299 6.420 . 0 0 "[ . 1]" 1
337 1 6 A H8 1 7 G HO2' 1.800 . 7.900 9.790 9.149 10.327 2.427 8 10 [-******+**] 1
338 1 6 A H8 2 1 G H8 1.800 . 7.400 5.618 5.563 5.690 . 0 0 "[ . 1]" 1
339 1 6 A H8 2 10 G H1' 1.800 . 7.200 6.122 6.075 6.229 . 0 0 "[ . 1]" 1
340 1 6 A H8 2 10 G H8 1.800 . 9.000 9.095 9.029 9.187 0.187 1 0 "[ . 1]" 1
341 1 6 A H8 2 10 G HO2' 1.800 . 6.300 4.784 4.075 5.889 . 0 0 "[ . 1]" 1
342 1 6 A H8 2 11 G H1' 1.800 . 3.800 3.498 3.409 3.554 . 0 0 "[ . 1]" 1
343 1 6 A H8 2 11 G H3' 1.800 . 5.800 5.716 5.556 5.829 0.029 10 0 "[ . 1]" 1
344 1 6 A H8 2 11 G H4' 1.800 . 3.400 2.773 2.616 2.918 . 0 0 "[ . 1]" 1
345 1 6 A H8 2 11 G H5' 1.800 . 5.100 3.639 3.313 3.819 . 0 0 "[ . 1]" 1
346 1 6 A H8 2 11 G H5'' 1.800 . 5.100 4.977 4.747 5.102 0.002 10 0 "[ . 1]" 1
347 1 6 A H8 2 11 G H8 1.800 . 6.200 6.269 6.098 6.384 0.184 6 0 "[ . 1]" 1
348 1 6 A H8 2 11 G HO2' 1.800 . 5.900 6.239 6.091 6.393 0.493 8 0 "[ . 1]" 1
349 1 6 A H8 2 12 A H1' 1.800 . 5.800 4.770 4.719 4.823 . 0 0 "[ . 1]" 1
350 1 6 A H8 2 12 A H2 1.800 . 8.900 9.259 9.163 9.329 0.429 3 0 "[ . 1]" 1
351 1 6 A H8 2 12 A H5' 1.800 . 7.300 2.729 2.349 3.295 . 0 0 "[ . 1]" 1
352 1 6 A H8 2 12 A H5'' 1.800 . 7.200 3.922 3.594 4.236 . 0 0 "[ . 1]" 1
353 1 6 A H8 2 12 A H8 1.800 . 5.900 6.047 5.987 6.101 0.201 7 0 "[ . 1]" 1
354 1 6 A H8 2 12 A HO2' 1.800 . 8.600 5.153 4.247 5.892 . 0 0 "[ . 1]" 1
355 1 6 A HO2' 1 7 G H3' 1.800 . 9.100 5.184 4.210 6.063 . 0 0 "[ . 1]" 1
356 1 6 A HO2' 1 7 G H5' 1.800 . 9.200 5.516 3.605 7.139 . 0 0 "[ . 1]" 1
357 1 6 A HO2' 1 7 G H8 1.800 . 3.900 1.910 1.753 2.594 0.047 8 0 "[ . 1]" 1
358 1 6 A HO2' 1 7 G HO2' 1.800 . 6.100 5.850 5.384 6.584 0.484 7 0 "[ . 1]" 1
359 1 6 A HO2' 2 10 G HO2' 1.800 . 7.200 4.080 2.668 4.995 . 0 0 "[ . 1]" 1
360 1 6 A HO2' 2 11 G H1' 1.800 . 7.800 5.091 4.792 5.496 . 0 0 "[ . 1]" 1
361 1 7 G H1' 1 7 G H3' 1.800 . 5.100 3.776 3.765 3.806 . 0 0 "[ . 1]" 1
362 1 7 G H1' 1 7 G H4' 1.800 . 4.700 2.779 2.742 2.842 . 0 0 "[ . 1]" 1
363 1 7 G H1' 1 7 G H5' 1.800 . 6.400 4.575 4.416 4.645 . 0 0 "[ . 1]" 1
364 1 7 G H1' 1 7 G H5'' 1.800 . 7.100 4.765 4.752 4.807 . 0 0 "[ . 1]" 1
365 1 7 G H1' 1 7 G H8 1.800 . 5.000 3.893 3.886 3.900 . 0 0 "[ . 1]" 1
366 1 7 G H1' 1 7 G HO2' 1.800 . 4.700 3.074 2.279 3.449 . 0 0 "[ . 1]" 1
367 1 7 G H1' 1 8 G H3' 1.800 . 6.400 4.742 4.682 4.800 . 0 0 "[ . 1]" 1
368 1 7 G H1' 1 8 G H4' 1.800 . 7.200 4.589 4.504 4.676 . 0 0 "[ . 1]" 1
369 1 7 G H1' 1 8 G H5' 1.800 . 6.400 2.189 2.158 2.335 . 0 0 "[ . 1]" 1
370 1 7 G H1' 1 8 G H5'' 1.800 . 6.400 3.876 3.835 4.077 . 0 0 "[ . 1]" 1
371 1 7 G H1' 1 8 G H8 1.800 . 3.400 2.928 2.827 3.064 . 0 0 "[ . 1]" 1
372 1 7 G H1' 1 8 G HO2' 1.800 . 5.800 6.323 6.216 6.504 0.704 3 5 "[**+ . *-]" 1
373 1 7 G H1' 2 10 G H1' 1.800 . 5.700 3.986 3.931 4.060 . 0 0 "[ . 1]" 1
374 1 7 G H1' 2 10 G H3' 1.800 . 7.300 6.585 6.515 6.675 . 0 0 "[ . 1]" 1
375 1 7 G H1' 2 10 G H8 1.800 . 6.000 3.976 3.822 4.143 . 0 0 "[ . 1]" 1
376 1 7 G H3' 1 7 G H4' 1.800 . 3.700 2.912 2.905 2.915 . 0 0 "[ . 1]" 1
377 1 7 G H3' 1 7 G H5' 1.800 . 4.800 3.547 3.503 3.614 . 0 0 "[ . 1]" 1
378 1 7 G H3' 1 7 G H5'' 1.800 . 3.800 2.405 2.183 3.073 . 0 0 "[ . 1]" 1
379 1 7 G H3' 1 7 G H8 1.800 . 4.800 4.314 4.210 4.342 . 0 0 "[ . 1]" 1
380 1 7 G H3' 1 7 G HO2' 1.800 . 3.600 3.087 2.782 3.316 . 0 0 "[ . 1]" 1
381 1 7 G H3' 1 8 G H4' 1.800 . 8.000 6.987 6.914 7.325 . 0 0 "[ . 1]" 1
382 1 7 G H3' 1 8 G H5' 1.800 . 7.400 4.244 4.152 4.749 . 0 0 "[ . 1]" 1
383 1 7 G H3' 1 8 G H5'' 1.800 . 7.300 5.456 5.386 5.742 . 0 0 "[ . 1]" 1
384 1 7 G H3' 1 8 G H8 1.800 . 5.800 5.051 4.927 5.336 . 0 0 "[ . 1]" 1
385 1 7 G H3' 1 9 A H2 1.800 . 7.700 7.230 7.083 7.386 . 0 0 "[ . 1]" 1
386 1 7 G H3' 2 10 G H1' 1.800 . 5.800 4.050 3.901 4.125 . 0 0 "[ . 1]" 1
387 1 7 G H3' 2 10 G H3' 1.800 . 7.900 7.529 7.455 7.567 . 0 0 "[ . 1]" 1
388 1 7 G H3' 2 10 G HO2' 1.800 . 7.200 5.509 4.796 6.129 . 0 0 "[ . 1]" 1
389 1 7 G H4' 1 7 G H5' 1.800 . 3.500 2.371 2.260 2.695 . 0 0 "[ . 1]" 1
390 1 7 G H4' 1 7 G H5'' 1.800 . 3.500 2.570 2.261 2.698 . 0 0 "[ . 1]" 1
391 1 7 G H4' 1 7 G H8 1.800 . 6.100 5.179 5.157 5.199 . 0 0 "[ . 1]" 1
392 1 7 G H4' 1 7 G HO2' 1.800 . 5.200 4.315 3.741 4.852 . 0 0 "[ . 1]" 1
393 1 7 G H4' 1 8 G H4' 1.800 . 7.700 4.897 4.823 5.055 . 0 0 "[ . 1]" 1
394 1 7 G H4' 1 8 G H5' 1.800 . 6.200 2.225 2.168 2.433 . 0 0 "[ . 1]" 1
395 1 7 G H4' 1 8 G H5'' 1.800 . 6.300 2.997 2.908 3.211 . 0 0 "[ . 1]" 1
396 1 7 G H4' 1 8 G H8 1.800 . 6.300 5.114 5.061 5.198 . 0 0 "[ . 1]" 1
397 1 7 G H4' 1 9 A H2 1.800 . 6.500 4.346 4.201 4.508 . 0 0 "[ . 1]" 1
398 1 7 G H4' 2 9 A H3' 1.800 . 8.100 7.156 6.971 7.335 . 0 0 "[ . 1]" 1
399 1 7 G H4' 2 9 A H8 1.800 . 7.700 5.598 5.360 5.821 . 0 0 "[ . 1]" 1
400 1 7 G H4' 2 10 G H1' 1.800 . 4.700 3.671 3.625 3.701 . 0 0 "[ . 1]" 1
401 1 7 G H4' 2 10 G H3' 1.800 . 6.400 5.931 5.858 6.054 . 0 0 "[ . 1]" 1
402 1 7 G H4' 2 10 G H8 1.800 . 6.100 4.769 4.642 4.913 . 0 0 "[ . 1]" 1
403 1 7 G H4' 2 10 G HO2' 1.800 . 7.200 5.403 4.410 6.166 . 0 0 "[ . 1]" 1
404 1 7 G H5' 1 7 G H8 1.800 . 6.100 5.373 4.703 5.579 . 0 0 "[ . 1]" 1
405 1 7 G H5' 1 7 G HO2' 1.800 . 6.000 5.944 5.638 6.295 0.295 10 0 "[ . 1]" 1
406 1 7 G H5' 2 10 G H1' 1.800 . 3.600 2.844 2.093 3.189 . 0 0 "[ . 1]" 1
407 1 7 G H5'' 1 7 G H8 1.800 . 6.100 5.409 5.158 5.881 . 0 0 "[ . 1]" 1
408 1 7 G H5'' 1 7 G HO2' 1.800 . 5.800 5.222 4.906 5.469 . 0 0 "[ . 1]" 1
409 1 7 G H5'' 2 10 G H1' 1.800 . 3.900 3.612 3.508 3.768 . 0 0 "[ . 1]" 1
410 1 7 G H8 1 7 G HO2' 1.800 . 3.300 4.294 3.769 4.743 1.443 8 9 "[-******+ *]" 1
411 1 7 G H8 1 8 G H8 1.800 . 6.200 5.330 5.262 5.423 . 0 0 "[ . 1]" 1
412 1 7 G H8 2 10 G H1' 1.800 . 3.900 3.051 2.962 3.129 . 0 0 "[ . 1]" 1
413 1 7 G H8 2 10 G H8 1.800 . 7.200 4.951 4.845 5.076 . 0 0 "[ . 1]" 1
414 1 7 G H8 2 10 G HO2' 1.800 . 6.500 5.006 4.374 5.753 . 0 0 "[ . 1]" 1
415 1 7 G H8 2 11 G H8 1.800 . 7.900 6.090 5.945 6.286 . 0 0 "[ . 1]" 1
416 1 7 G HO2' 1 8 G H5'' 1.800 . 8.100 5.650 4.633 6.588 . 0 0 "[ . 1]" 1
417 1 7 G HO2' 1 8 G H8 1.800 . 5.700 2.506 1.796 3.177 0.004 4 0 "[ . 1]" 1
418 1 7 G HO2' 2 10 G H1' 1.800 . 5.100 5.544 5.463 5.640 0.540 5 2 "[ +- 1]" 1
419 1 7 G HO2' 2 10 G HO2' 1.800 . 7.500 7.651 6.999 8.309 0.809 1 1 "[+ . 1]" 1
420 1 8 G H1' 1 8 G H3' 1.800 . 5.100 3.901 3.888 3.916 . 0 0 "[ . 1]" 1
421 1 8 G H1' 1 8 G H4' 1.800 . 4.800 3.023 2.985 3.059 . 0 0 "[ . 1]" 1
422 1 8 G H1' 1 8 G H5' 1.800 . 7.600 4.400 4.390 4.413 . 0 0 "[ . 1]" 1
423 1 8 G H1' 1 8 G H5'' 1.800 . 6.200 4.852 4.822 4.925 . 0 0 "[ . 1]" 1
424 1 8 G H1' 1 8 G H8 1.800 . 4.800 3.905 3.888 3.918 . 0 0 "[ . 1]" 1
425 1 8 G H1' 1 8 G HO2' 1.800 . 3.800 3.100 2.561 3.330 . 0 0 "[ . 1]" 1
426 1 8 G H1' 1 9 A H2 1.800 . 8.500 6.629 6.544 6.763 . 0 0 "[ . 1]" 1
427 1 8 G H1' 1 9 A H3' 1.800 . 6.100 3.552 3.440 3.676 . 0 0 "[ . 1]" 1
428 1 8 G H1' 1 9 A H4' 1.800 . 7.300 5.428 5.336 5.516 . 0 0 "[ . 1]" 1
429 1 8 G H1' 1 9 A H5' 1.800 . 4.800 3.616 3.265 3.906 . 0 0 "[ . 1]" 1
430 1 8 G H1' 1 9 A H8 1.800 . 6.200 3.829 3.492 4.085 . 0 0 "[ . 1]" 1
431 1 8 G H1' 1 10 G H8 1.800 . 6.500 4.987 4.868 5.174 . 0 0 "[ . 1]" 1
432 1 8 G H1' 3 3 TRP QB 1.800 . 8.100 5.649 5.624 5.680 . 0 0 "[ . 1]" 1
433 1 8 G H1' 3 12 ASN QB 1.800 . 7.200 3.032 2.810 3.380 . 0 0 "[ . 1]" 1
434 1 8 G H3' 1 8 G H4' 1.800 . 3.500 2.898 2.881 2.908 . 0 0 "[ . 1]" 1
435 1 8 G H3' 1 8 G H5' 1.800 . 4.700 3.252 3.212 3.424 . 0 0 "[ . 1]" 1
436 1 8 G H3' 1 8 G H5'' 1.800 . 3.600 3.375 3.176 3.419 . 0 0 "[ . 1]" 1
437 1 8 G H3' 1 8 G H8 1.800 . 3.900 4.061 4.012 4.104 0.204 3 0 "[ . 1]" 1
438 1 8 G H3' 1 8 G HO2' 1.800 . 3.300 3.401 2.864 3.660 0.360 7 0 "[ . 1]" 1
439 1 8 G H3' 1 9 A H2 1.800 . 6.400 5.991 5.924 6.039 . 0 0 "[ . 1]" 1
440 1 8 G H3' 1 9 A H5' 1.800 . 7.000 5.204 5.034 5.328 . 0 0 "[ . 1]" 1
441 1 8 G H3' 3 3 TRP HZ3 1.800 . 7.900 7.287 7.226 7.376 . 0 0 "[ . 1]" 1
442 1 8 G H4' 1 8 G H5' 1.800 . 3.600 2.872 2.767 2.892 . 0 0 "[ . 1]" 1
443 1 8 G H4' 1 8 G H5'' 1.800 . 3.500 2.235 2.230 2.258 . 0 0 "[ . 1]" 1
444 1 8 G H4' 1 8 G H8 1.800 . 5.800 5.014 4.988 5.053 . 0 0 "[ . 1]" 1
445 1 8 G H4' 1 8 G HO2' 1.800 . 4.700 4.642 3.757 4.890 0.190 4 0 "[ . 1]" 1
446 1 8 G H4' 1 9 A H1' 1.800 . 5.700 4.845 4.762 4.919 . 0 0 "[ . 1]" 1
447 1 8 G H4' 1 9 A H2 1.800 . 5.700 3.971 3.902 4.094 . 0 0 "[ . 1]" 1
448 1 8 G H4' 1 9 A H3' 1.800 . 6.500 4.399 4.221 4.498 . 0 0 "[ . 1]" 1
449 1 8 G H4' 1 9 A H4' 1.800 . 7.400 4.791 4.713 4.975 . 0 0 "[ . 1]" 1
450 1 8 G H4' 1 9 A H5'' 1.800 . 4.800 2.300 2.165 2.627 . 0 0 "[ . 1]" 1
451 1 8 G H4' 1 9 A H8 1.800 . 7.100 4.637 4.462 4.769 . 0 0 "[ . 1]" 1
452 1 8 G H4' 1 10 G H8 1.800 . 7.600 6.759 6.677 6.833 . 0 0 "[ . 1]" 1
453 1 8 G H5' 1 8 G H8 1.800 . 6.000 3.778 3.699 3.965 . 0 0 "[ . 1]" 1
454 1 8 G H5' 1 8 G HO2' 1.800 . 6.200 5.699 5.419 5.942 . 0 0 "[ . 1]" 1
455 1 8 G H5' 1 9 A H1' 1.800 . 7.300 6.879 6.648 6.947 . 0 0 "[ . 1]" 1
456 1 8 G H5' 1 9 A H2 1.800 . 5.800 4.014 3.711 4.130 . 0 0 "[ . 1]" 1
457 1 8 G H5'' 1 8 G H8 1.800 . 5.800 5.313 5.264 5.362 . 0 0 "[ . 1]" 1
458 1 8 G H5'' 1 9 A H1' 1.800 . 8.300 5.901 5.769 6.101 . 0 0 "[ . 1]" 1
459 1 8 G H5'' 1 9 A H2 1.800 . 5.700 2.715 2.665 2.831 . 0 0 "[ . 1]" 1
460 1 8 G H5'' 1 9 A H3' 1.800 . 7.600 6.446 6.349 6.549 . 0 0 "[ . 1]" 1
461 1 8 G H5'' 1 9 A H8 1.800 . 8.800 6.188 6.088 6.350 . 0 0 "[ . 1]" 1
462 1 8 G H8 1 8 G HO2' 1.800 . 3.200 4.211 3.810 4.821 1.621 9 10 [***-****+*] 1
463 1 8 G H8 1 9 A H2 1.800 . 8.700 7.644 7.576 7.703 . 0 0 "[ . 1]" 1
464 1 8 G H8 1 9 A H3' 1.800 . 7.200 7.376 7.283 7.462 0.262 9 0 "[ . 1]" 1
465 1 8 G H8 1 9 A H5' 1.800 . 7.500 7.239 6.990 7.483 . 0 0 "[ . 1]" 1
466 1 8 G H8 2 10 G H1' 1.800 . 7.500 6.602 6.501 6.698 . 0 0 "[ . 1]" 1
467 1 8 G H8 3 2 GLN HA 1.800 . 8.900 9.294 9.279 9.308 0.408 3 0 "[ . 1]" 1
468 1 8 G H8 3 2 GLN QB 1.800 . 8.700 7.745 7.737 7.755 . 0 0 "[ . 1]" 1
469 1 8 G H8 3 2 GLN QG 1.800 . 8.000 7.280 7.271 7.286 . 0 0 "[ . 1]" 1
470 1 8 G H8 3 3 TRP HA 1.800 . 7.200 5.436 5.397 5.466 . 0 0 "[ . 1]" 1
471 1 8 G H8 3 3 TRP QB 1.800 . 6.100 3.041 3.024 3.054 . 0 0 "[ . 1]" 1
472 1 8 G H8 3 3 TRP HD1 1.800 . 6.300 6.491 6.473 6.509 0.209 3 0 "[ . 1]" 1
473 1 8 G H8 3 3 TRP HE3 1.800 . 6.300 3.579 3.548 3.614 . 0 0 "[ . 1]" 1
474 1 8 G H8 3 3 TRP HH2 1.800 . 7.400 7.519 7.472 7.588 0.188 10 0 "[ . 1]" 1
475 1 8 G H8 3 3 TRP HZ2 1.800 . 7.900 8.108 8.084 8.138 0.238 10 0 "[ . 1]" 1
476 1 8 G H8 3 3 TRP HZ3 1.800 . 7.100 5.478 5.425 5.549 . 0 0 "[ . 1]" 1
477 1 8 G H8 3 4 ASN HA 1.800 . 6.400 5.588 5.566 5.614 . 0 0 "[ . 1]" 1
478 1 8 G H8 3 4 ASN QB 1.800 . 6.400 3.098 3.078 3.125 . 0 0 "[ . 1]" 1
479 1 8 G H8 3 5 LYS QD 1.800 . 8.200 6.686 6.663 6.699 . 0 0 "[ . 1]" 1
480 1 8 G H8 3 5 LYS QG 1.800 . 8.500 7.403 7.384 7.421 . 0 0 "[ . 1]" 1
481 1 8 G H8 3 6 PRO QG 1.800 . 10.200 9.291 9.263 9.307 . 0 0 "[ . 1]" 1
482 1 8 G H8 3 10 LYS QG 1.800 . 7.400 6.281 5.707 6.675 . 0 0 "[ . 1]" 1
483 1 8 G HO2' 3 3 TRP QB 1.800 . 7.200 5.434 4.974 6.404 . 0 0 "[ . 1]" 1
484 1 8 G HO2' 3 12 ASN QB 1.800 . 6.200 4.601 3.876 5.046 . 0 0 "[ . 1]" 1
485 1 9 A H1' 1 9 A H3' 1.800 . 4.900 3.817 3.806 3.825 . 0 0 "[ . 1]" 1
486 1 9 A H1' 1 9 A H4' 1.800 . 4.900 3.674 3.649 3.697 . 0 0 "[ . 1]" 1
487 1 9 A H1' 1 9 A H5' 1.800 . 6.000 5.210 5.165 5.241 . 0 0 "[ . 1]" 1
488 1 9 A H1' 1 9 A H8 1.800 . 4.800 3.673 3.635 3.691 . 0 0 "[ . 1]" 1
489 1 9 A H1' 1 9 A HO2' 1.800 . 3.700 2.630 2.050 3.129 . 0 0 "[ . 1]" 1
490 1 9 A H1' 1 10 G H3' 1.800 . 7.300 7.454 7.415 7.501 0.201 6 0 "[ . 1]" 1
491 1 9 A H1' 1 10 G H8 1.800 . 6.200 6.247 6.201 6.279 0.079 10 0 "[ . 1]" 1
492 1 9 A H1' 2 9 A H2 1.800 . 3.900 3.290 3.127 3.557 . 0 0 "[ . 1]" 1
493 1 9 A H2 1 9 A H5' 1.800 . 7.400 7.290 7.075 7.471 0.071 8 0 "[ . 1]" 1
494 1 9 A H2 2 9 A H1' 1.800 . 3.900 3.287 2.862 3.575 . 0 0 "[ . 1]" 1
495 1 9 A H2 2 9 A H3' 1.800 . 6.200 4.860 4.722 5.046 . 0 0 "[ . 1]" 1
496 1 9 A H2 2 9 A H4' 1.800 . 6.400 5.800 5.521 5.946 . 0 0 "[ . 1]" 1
497 1 9 A H2 2 9 A HO2' 1.800 . 4.800 3.290 2.336 3.941 . 0 0 "[ . 1]" 1
498 1 9 A H2 2 10 G H1' 1.800 . 8.800 6.762 6.642 6.915 . 0 0 "[ . 1]" 1
499 1 9 A H2 2 10 G H3' 1.800 . 6.300 6.514 6.400 6.568 0.268 3 0 "[ . 1]" 1
500 1 9 A H2 2 10 G H8 1.800 . 6.800 5.482 5.425 5.562 . 0 0 "[ . 1]" 1
501 1 9 A H3' 1 9 A H4' 1.800 . 4.900 3.006 3.000 3.011 . 0 0 "[ . 1]" 1
502 1 9 A H3' 1 9 A H5' 1.800 . 3.900 2.693 2.547 2.851 . 0 0 "[ . 1]" 1
503 1 9 A H3' 1 9 A H5'' 1.800 . 3.900 2.530 2.444 2.607 . 0 0 "[ . 1]" 1
504 1 9 A H3' 1 9 A H8 1.800 . 3.500 2.301 2.181 2.413 . 0 0 "[ . 1]" 1
505 1 9 A H3' 1 9 A HO2' 1.800 . 4.000 3.755 3.398 4.065 0.065 1 0 "[ . 1]" 1
506 1 9 A H3' 1 10 G H3' 1.800 . 5.100 4.366 4.307 4.466 . 0 0 "[ . 1]" 1
507 1 9 A H3' 1 10 G H8 1.800 . 5.100 4.424 4.234 4.521 . 0 0 "[ . 1]" 1
508 1 9 A H3' 1 10 G HO2' 1.800 . 7.900 7.669 7.062 8.199 0.299 3 0 "[ . 1]" 1
509 1 9 A H3' 2 7 G H4' 1.800 . 8.100 7.208 6.969 7.456 . 0 0 "[ . 1]" 1
510 1 9 A H3' 2 9 A H2 1.800 . 6.200 4.882 4.787 4.949 . 0 0 "[ . 1]" 1
511 1 9 A H4' 1 9 A H5' 1.800 . 3.900 2.488 2.409 2.549 . 0 0 "[ . 1]" 1
512 1 9 A H4' 1 9 A H5'' 1.800 . 3.600 3.022 3.015 3.033 . 0 0 "[ . 1]" 1
513 1 9 A H4' 1 9 A H8 1.800 . 6.800 4.857 4.778 4.933 . 0 0 "[ . 1]" 1
514 1 9 A H4' 2 9 A H2 1.800 . 6.400 5.801 5.690 5.939 . 0 0 "[ . 1]" 1
515 1 9 A H4' 3 10 LYS QD 1.800 . 6.500 5.446 4.031 6.017 . 0 0 "[ . 1]" 1
516 1 9 A H4' 3 10 LYS QE 1.800 . 8.300 6.042 5.492 6.572 . 0 0 "[ . 1]" 1
517 1 9 A H5' 1 9 A H8 1.800 . 5.000 4.729 4.495 4.941 . 0 0 "[ . 1]" 1
518 1 9 A H5' 1 9 A HO2' 1.800 . 5.800 5.106 4.465 5.825 0.025 5 0 "[ . 1]" 1
519 1 9 A H5' 1 10 G H8 1.800 . 7.000 6.777 6.433 7.015 0.015 1 0 "[ . 1]" 1
520 1 9 A H5'' 1 9 A H8 1.800 . 4.900 3.802 3.675 3.900 . 0 0 "[ . 1]" 1
521 1 9 A H5'' 3 10 LYS QE 1.800 . 7.800 4.939 4.255 5.338 . 0 0 "[ . 1]" 1
522 1 9 A H8 1 9 A HO2' 1.800 . 3.600 4.512 4.272 4.679 1.079 2 10 [*+**-*****] 1
523 1 9 A H8 1 10 G H1' 1.800 . 7.900 5.887 5.805 5.950 . 0 0 "[ . 1]" 1
524 1 9 A H8 1 10 G H3' 1.800 . 5.000 4.492 4.408 4.594 . 0 0 "[ . 1]" 1
525 1 9 A H8 1 10 G H8 1.800 . 3.800 2.740 2.717 2.794 . 0 0 "[ . 1]" 1
526 1 9 A H8 2 7 G H4' 1.800 . 7.700 5.766 5.485 6.033 . 0 0 "[ . 1]" 1
527 1 9 A HO2' 1 10 G H3' 1.800 . 6.100 6.726 6.272 7.204 1.104 8 4 "[- *.* + 1]" 1
528 1 9 A HO2' 1 10 G H8 1.800 . 6.000 6.750 6.312 6.983 0.983 7 8 [****.-+**1] 1
529 1 9 A HO2' 2 9 A H2 1.800 . 4.800 3.195 2.161 3.972 . 0 0 "[ . 1]" 1
530 1 10 G H1' 1 10 G H3' 1.800 . 4.700 3.867 3.824 3.900 . 0 0 "[ . 1]" 1
531 1 10 G H1' 1 10 G H8 1.800 . 3.900 3.680 3.664 3.708 . 0 0 "[ . 1]" 1
532 1 10 G H1' 1 10 G HO2' 1.800 . 3.500 2.903 1.981 3.371 . 0 0 "[ . 1]" 1
533 1 10 G H1' 1 11 G H1' 1.800 . 7.100 6.205 6.121 6.284 . 0 0 "[ . 1]" 1
534 1 10 G H1' 1 11 G H3' 1.800 . 7.800 6.961 6.871 7.065 . 0 0 "[ . 1]" 1
535 1 10 G H1' 1 11 G H4' 1.800 . 7.400 6.113 5.848 6.296 . 0 0 "[ . 1]" 1
536 1 10 G H1' 1 11 G H5' 1.800 . 6.300 5.100 4.382 5.377 . 0 0 "[ . 1]" 1
537 1 10 G H1' 1 11 G H8 1.800 . 5.100 4.795 4.669 4.938 . 0 0 "[ . 1]" 1
538 1 10 G H1' 1 11 G HO2' 1.800 . 7.400 8.686 8.178 8.897 1.497 9 10 [*-******+*] 1
539 1 10 G H1' 2 6 A H1' 1.800 . 6.300 3.502 3.378 3.578 . 0 0 "[ . 1]" 1
540 1 10 G H1' 2 6 A H3' 1.800 . 5.200 4.885 4.625 5.283 0.083 7 0 "[ . 1]" 1
541 1 10 G H1' 2 6 A H4' 1.800 . 7.800 5.021 4.833 5.251 . 0 0 "[ . 1]" 1
542 1 10 G H1' 2 6 A H8 1.800 . 7.200 6.117 6.029 6.184 . 0 0 "[ . 1]" 1
543 1 10 G H1' 2 7 G H1' 1.800 . 5.700 3.977 3.545 4.114 . 0 0 "[ . 1]" 1
544 1 10 G H1' 2 7 G H3' 1.800 . 5.800 4.062 3.923 4.502 . 0 0 "[ . 1]" 1
545 1 10 G H1' 2 7 G H4' 1.800 . 4.700 3.624 2.912 3.918 . 0 0 "[ . 1]" 1
546 1 10 G H1' 2 7 G H5' 1.800 . 3.600 2.723 2.105 3.283 . 0 0 "[ . 1]" 1
547 1 10 G H1' 2 7 G H5'' 1.800 . 3.900 3.547 3.070 3.750 . 0 0 "[ . 1]" 1
548 1 10 G H1' 2 7 G H8 1.800 . 3.900 3.070 2.936 3.197 . 0 0 "[ . 1]" 1
549 1 10 G H1' 2 7 G HO2' 1.800 . 5.100 5.577 5.406 5.806 0.706 7 5 "[ * * + -*]" 1
550 1 10 G H1' 2 8 G H8 1.800 . 7.500 6.637 6.570 6.737 . 0 0 "[ . 1]" 1
551 1 10 G H1' 2 9 A H2 1.800 . 8.800 6.753 6.554 6.880 . 0 0 "[ . 1]" 1
552 1 10 G H3' 1 10 G H8 1.800 . 3.700 3.586 3.495 3.726 0.026 5 0 "[ . 1]" 1
553 1 10 G H3' 1 11 G H1' 1.800 . 6.400 6.498 6.418 6.568 0.168 2 0 "[ . 1]" 1
554 1 10 G H3' 1 11 G H3' 1.800 . 8.200 5.244 5.062 5.417 . 0 0 "[ . 1]" 1
555 1 10 G H3' 1 11 G H8 1.800 . 3.800 3.432 3.195 3.607 . 0 0 "[ . 1]" 1
556 1 10 G H3' 2 6 A H1' 1.800 . 7.100 6.069 6.001 6.129 . 0 0 "[ . 1]" 1
557 1 10 G H3' 2 7 G H1' 1.800 . 7.300 6.587 5.924 6.791 . 0 0 "[ . 1]" 1
558 1 10 G H3' 2 7 G H3' 1.800 . 7.900 7.546 7.465 7.854 . 0 0 "[ . 1]" 1
559 1 10 G H3' 2 7 G H4' 1.800 . 6.400 5.918 5.335 6.162 . 0 0 "[ . 1]" 1
560 1 10 G H3' 2 9 A H2 1.800 . 6.300 6.518 6.448 6.604 0.304 7 0 "[ . 1]" 1
561 1 10 G H4' 1 10 G H8 1.800 . 6.300 4.391 4.253 4.449 . 0 0 "[ . 1]" 1
562 1 10 G H8 1 10 G HO2' 1.800 . 5.000 5.647 5.237 5.863 0.863 4 8 "[***+* **-]" 1
563 1 10 G H8 1 11 G H8 1.800 . 6.500 4.827 4.774 4.917 . 0 0 "[ . 1]" 1
564 1 10 G H8 2 6 A H8 1.800 . 9.000 9.099 9.003 9.165 0.165 1 0 "[ . 1]" 1
565 1 10 G H8 2 7 G H1' 1.800 . 6.000 3.998 3.407 4.277 . 0 0 "[ . 1]" 1
566 1 10 G H8 2 7 G H4' 1.800 . 6.100 4.819 4.583 5.105 . 0 0 "[ . 1]" 1
567 1 10 G H8 2 7 G H8 1.800 . 7.200 4.968 4.900 5.026 . 0 0 "[ . 1]" 1
568 1 10 G H8 2 9 A H2 1.800 . 6.800 5.470 5.375 5.539 . 0 0 "[ . 1]" 1
569 1 10 G HO2' 1 11 G H1' 1.800 . 6.200 5.396 4.485 6.387 0.187 7 0 "[ . 1]" 1
570 1 10 G HO2' 1 11 G H3' 1.800 . 5.900 5.077 4.371 6.066 0.166 7 0 "[ . 1]" 1
571 1 10 G HO2' 1 11 G H4' 1.800 . 5.100 4.290 3.433 5.514 0.414 7 0 "[ . 1]" 1
572 1 10 G HO2' 1 11 G H5' 1.800 . 5.100 2.661 2.037 3.870 . 0 0 "[ . 1]" 1
573 1 10 G HO2' 1 11 G H8 1.800 . 3.200 4.618 4.073 5.158 1.958 6 10 [*****+**-*] 1
574 1 10 G HO2' 1 12 A H8 1.800 . 8.100 8.490 7.685 9.538 1.438 7 5 "[ - **+ *]" 1
575 1 10 G HO2' 2 6 A H1' 1.800 . 6.200 3.512 2.467 4.313 . 0 0 "[ . 1]" 1
576 1 10 G HO2' 2 6 A H4' 1.800 . 6.500 5.453 4.769 6.037 . 0 0 "[ . 1]" 1
577 1 10 G HO2' 2 6 A H8 1.800 . 6.300 5.012 4.126 5.825 . 0 0 "[ . 1]" 1
578 1 10 G HO2' 2 6 A HO2' 1.800 . 7.200 4.264 2.942 5.287 . 0 0 "[ . 1]" 1
579 1 10 G HO2' 2 7 G H3' 1.800 . 7.200 5.822 4.506 6.329 . 0 0 "[ . 1]" 1
580 1 10 G HO2' 2 7 G H4' 1.800 . 7.200 5.498 3.455 6.325 . 0 0 "[ . 1]" 1
581 1 10 G HO2' 2 7 G H8 1.800 . 6.500 5.433 4.554 6.092 . 0 0 "[ . 1]" 1
582 1 10 G HO2' 2 7 G HO2' 1.800 . 7.500 8.043 6.747 8.676 1.176 4 6 "[** +* *-]" 1
583 1 11 G H1' 1 11 G H3' 1.800 . 4.900 3.796 3.776 3.835 . 0 0 "[ . 1]" 1
584 1 11 G H1' 1 11 G H4' 1.800 . 4.700 2.472 2.435 2.537 . 0 0 "[ . 1]" 1
585 1 11 G H1' 1 11 G H5' 1.800 . 4.000 4.356 4.329 4.379 0.379 4 0 "[ . 1]" 1
586 1 11 G H1' 1 11 G H5'' 1.800 . 6.400 4.721 4.697 4.761 . 0 0 "[ . 1]" 1
587 1 11 G H1' 1 11 G H8 1.800 . 4.900 3.758 3.737 3.780 . 0 0 "[ . 1]" 1
588 1 11 G H1' 1 11 G HO2' 1.800 . 3.500 3.164 2.326 3.435 . 0 0 "[ . 1]" 1
589 1 11 G H1' 1 12 A H1' 1.800 . 7.200 2.047 2.012 2.121 . 0 0 "[ . 1]" 1
590 1 11 G H1' 1 12 A H4' 1.800 . 5.700 2.358 2.261 2.506 . 0 0 "[ . 1]" 1
591 1 11 G H1' 1 12 A H5' 1.800 . 5.800 3.925 3.571 4.424 . 0 0 "[ . 1]" 1
592 1 11 G H1' 1 12 A H8 1.800 . 7.000 3.871 3.786 3.955 . 0 0 "[ . 1]" 1
593 1 11 G H1' 1 12 A HO2' 1.800 . 5.900 3.901 3.227 4.831 . 0 0 "[ . 1]" 1
594 1 11 G H1' 2 6 A H1' 1.800 . 6.000 4.104 3.962 4.329 . 0 0 "[ . 1]" 1
595 1 11 G H1' 2 6 A H2 1.800 . 7.300 6.571 6.482 6.680 . 0 0 "[ . 1]" 1
596 1 11 G H1' 2 6 A H8 1.800 . 3.800 3.485 3.411 3.530 . 0 0 "[ . 1]" 1
597 1 11 G H1' 2 6 A HO2' 1.800 . 7.800 4.868 4.586 5.410 . 0 0 "[ . 1]" 1
598 1 11 G H1' 3 2 GLN QG 1.800 . 7.600 6.120 6.087 6.146 . 0 0 "[ . 1]" 1
599 1 11 G H1' 3 3 TRP HE3 1.800 . 8.700 8.756 8.701 8.788 0.088 1 0 "[ . 1]" 1
600 1 11 G H1' 3 3 TRP HH2 1.800 . 7.300 5.401 5.281 5.456 . 0 0 "[ . 1]" 1
601 1 11 G H1' 3 3 TRP HZ2 1.800 . 7.500 4.908 4.867 4.933 . 0 0 "[ . 1]" 1
602 1 11 G H1' 3 3 TRP HZ3 1.800 . 7.700 7.472 7.368 7.521 . 0 0 "[ . 1]" 1
603 1 11 G H1' 3 8 LYS QG 1.800 . 7.900 7.211 7.133 7.255 . 0 0 "[ . 1]" 1
604 1 11 G H1' 3 12 ASN QB 1.800 . 7.600 6.900 6.750 7.146 . 0 0 "[ . 1]" 1
605 1 11 G H3' 1 11 G H4' 1.800 . 3.900 2.992 2.985 2.998 . 0 0 "[ . 1]" 1
606 1 11 G H3' 1 11 G H5' 1.800 . 4.000 3.672 3.650 3.694 . 0 0 "[ . 1]" 1
607 1 11 G H3' 1 11 G H5'' 1.800 . 5.000 2.487 2.402 2.640 . 0 0 "[ . 1]" 1
608 1 11 G H3' 1 11 G H8 1.800 . 3.800 3.760 3.701 3.834 0.034 5 0 "[ . 1]" 1
609 1 11 G H3' 1 11 G HO2' 1.800 . 3.400 3.458 3.206 3.761 0.361 7 0 "[ . 1]" 1
610 1 11 G H3' 1 12 A H1' 1.800 . 7.800 5.348 5.287 5.489 . 0 0 "[ . 1]" 1
611 1 11 G H3' 1 12 A H4' 1.800 . 4.900 5.264 5.078 5.344 0.444 3 0 "[ . 1]" 1
612 1 11 G H3' 1 12 A H5' 1.800 . 6.300 5.166 4.060 5.985 . 0 0 "[ . 1]" 1
613 1 11 G H3' 1 12 A H8 1.800 . 4.800 4.540 4.475 4.625 . 0 0 "[ . 1]" 1
614 1 11 G H3' 1 12 A HO2' 1.800 . 7.100 7.521 6.947 8.353 1.253 7 4 "[* -. + *]" 1
615 1 11 G H3' 2 6 A H1' 1.800 . 8.200 6.199 6.009 6.357 . 0 0 "[ . 1]" 1
616 1 11 G H3' 2 6 A H8 1.800 . 5.800 5.725 5.533 5.796 . 0 0 "[ . 1]" 1
617 1 11 G H3' 3 2 GLN QB 1.800 . 9.600 8.794 8.723 8.880 . 0 0 "[ . 1]" 1
618 1 11 G H3' 3 3 TRP HH2 1.800 . 7.900 4.993 4.781 5.142 . 0 0 "[ . 1]" 1
619 1 11 G H3' 3 3 TRP HZ2 1.800 . 7.600 6.049 5.938 6.174 . 0 0 "[ . 1]" 1
620 1 11 G H4' 1 11 G H5' 1.800 . 3.600 2.280 2.253 2.352 . 0 0 "[ . 1]" 1
621 1 11 G H4' 1 11 G H5'' 1.800 . 3.600 2.675 2.573 2.728 . 0 0 "[ . 1]" 1
622 1 11 G H4' 1 11 G H8 1.800 . 5.800 4.633 4.565 4.704 . 0 0 "[ . 1]" 1
623 1 11 G H4' 1 11 G HO2' 1.800 . 4.800 4.207 3.086 4.411 . 0 0 "[ . 1]" 1
624 1 11 G H4' 1 12 A H1' 1.800 . 7.300 4.335 4.271 4.499 . 0 0 "[ . 1]" 1
625 1 11 G H4' 1 12 A H2 1.800 . 8.400 8.703 8.656 8.803 0.403 2 0 "[ . 1]" 1
626 1 11 G H4' 1 12 A H5'' 1.800 . 4.800 3.748 3.572 4.050 . 0 0 "[ . 1]" 1
627 1 11 G H4' 1 12 A H8 1.800 . 5.000 4.502 4.326 4.819 . 0 0 "[ . 1]" 1
628 1 11 G H4' 1 12 A HO2' 1.800 . 6.100 5.735 5.083 6.593 0.493 4 0 "[ . 1]" 1
629 1 11 G H4' 2 6 A H1' 1.800 . 4.800 3.999 3.620 4.239 . 0 0 "[ . 1]" 1
630 1 11 G H4' 2 6 A H8 1.800 . 3.400 2.778 2.562 2.889 . 0 0 "[ . 1]" 1
631 1 11 G H4' 3 3 TRP HH2 1.800 . 7.900 6.795 6.627 6.870 . 0 0 "[ . 1]" 1
632 1 11 G H4' 3 3 TRP HZ2 1.800 . 7.800 6.961 6.884 7.042 . 0 0 "[ . 1]" 1
633 1 11 G H4' 3 8 LYS QE 1.800 . 7.300 5.885 5.631 6.505 . 0 0 "[ . 1]" 1
634 1 11 G H5' 1 11 G H8 1.800 . 5.800 5.025 4.664 5.204 . 0 0 "[ . 1]" 1
635 1 11 G H5' 1 12 A H1' 1.800 . 7.900 6.371 6.323 6.439 . 0 0 "[ . 1]" 1
636 1 11 G H5' 2 6 A H1' 1.800 . 6.300 3.901 3.307 4.104 . 0 0 "[ . 1]" 1
637 1 11 G H5' 2 6 A H8 1.800 . 5.100 3.700 3.609 3.828 . 0 0 "[ . 1]" 1
638 1 11 G H5'' 1 11 G H8 1.800 . 5.700 4.972 4.919 4.999 . 0 0 "[ . 1]" 1
639 1 11 G H5'' 1 11 G HO2' 1.800 . 5.700 5.522 4.947 5.805 0.105 7 0 "[ . 1]" 1
640 1 11 G H5'' 1 12 A H5'' 1.800 . 5.800 5.727 5.427 5.924 0.124 7 0 "[ . 1]" 1
641 1 11 G H5'' 1 12 A H8 1.800 . 7.100 6.136 6.022 6.432 . 0 0 "[ . 1]" 1
642 1 11 G H5'' 2 6 A H1' 1.800 . 5.900 5.438 4.957 5.579 . 0 0 "[ . 1]" 1
643 1 11 G H5'' 2 6 A H8 1.800 . 5.100 4.984 4.699 5.123 0.023 9 0 "[ . 1]" 1
644 1 11 G H8 1 11 G HO2' 1.800 . 3.400 4.757 4.516 5.092 1.692 2 10 [*+****-***] 1
645 1 11 G H8 1 12 A H1' 1.800 . 8.000 4.991 4.955 5.061 . 0 0 "[ . 1]" 1
646 1 11 G H8 1 12 A H4' 1.800 . 6.300 6.005 5.891 6.148 . 0 0 "[ . 1]" 1
647 1 11 G H8 1 12 A H8 1.800 . 6.200 6.461 6.391 6.510 0.310 9 0 "[ . 1]" 1
648 1 11 G H8 2 6 A H1' 1.800 . 6.500 5.200 5.005 5.477 . 0 0 "[ . 1]" 1
649 1 11 G H8 2 6 A H8 1.800 . 6.200 6.272 6.179 6.327 0.127 5 0 "[ . 1]" 1
650 1 11 G H8 2 7 G H8 1.800 . 7.900 6.065 5.934 6.191 . 0 0 "[ . 1]" 1
651 1 11 G H8 3 2 GLN QG 1.800 . 7.500 5.982 5.939 6.017 . 0 0 "[ . 1]" 1
652 1 11 G H8 3 3 TRP HD1 1.800 . 7.600 7.734 7.707 7.756 0.156 7 0 "[ . 1]" 1
653 1 11 G H8 3 3 TRP HE3 1.800 . 8.100 6.014 5.966 6.065 . 0 0 "[ . 1]" 1
654 1 11 G H8 3 3 TRP HH2 1.800 . 7.300 3.508 3.415 3.575 . 0 0 "[ . 1]" 1
655 1 11 G H8 3 3 TRP HZ2 1.800 . 7.100 4.311 4.244 4.350 . 0 0 "[ . 1]" 1
656 1 11 G H8 3 3 TRP HZ3 1.800 . 7.600 4.595 4.522 4.661 . 0 0 "[ . 1]" 1
657 1 11 G H8 3 12 ASN QB 1.800 . 7.500 3.606 3.411 3.938 . 0 0 "[ . 1]" 1
658 1 11 G HO2' 1 12 A H1' 1.800 . 5.900 3.218 2.747 3.641 . 0 0 "[ . 1]" 1
659 1 11 G HO2' 1 12 A H5'' 1.800 . 6.400 4.961 3.352 5.809 . 0 0 "[ . 1]" 1
660 1 11 G HO2' 1 12 A H8 1.800 . 3.700 2.105 1.777 2.339 0.023 6 0 "[ . 1]" 1
661 1 11 G HO2' 2 6 A H1' 1.800 . 7.800 7.131 5.967 7.570 . 0 0 "[ . 1]" 1
662 1 11 G HO2' 2 6 A H8 1.800 . 5.900 6.139 4.476 6.491 0.591 8 3 "[ - . + *]" 1
663 1 12 A H1' 1 12 A H2 1.800 . 5.800 4.546 4.479 4.574 . 0 0 "[ . 1]" 1
664 1 12 A H1' 1 12 A H4' 1.800 . 3.700 2.956 2.879 3.190 . 0 0 "[ . 1]" 1
665 1 12 A H1' 1 12 A H5' 1.800 . 5.700 4.864 4.736 5.033 . 0 0 "[ . 1]" 1
666 1 12 A H1' 1 12 A H8 1.800 . 3.500 3.593 3.575 3.657 0.157 6 0 "[ . 1]" 1
667 1 12 A H1' 1 12 A HO2' 1.800 . 3.700 2.559 1.919 3.357 . 0 0 "[ . 1]" 1
668 1 12 A H1' 2 6 A H1' 1.800 . 6.300 5.559 5.432 5.704 . 0 0 "[ . 1]" 1
669 1 12 A H1' 2 6 A H2 1.800 . 9.100 6.041 5.968 6.098 . 0 0 "[ . 1]" 1
670 1 12 A H1' 2 6 A H4' 1.800 . 8.600 8.845 8.784 8.919 0.319 8 0 "[ . 1]" 1
671 1 12 A H1' 2 6 A H8 1.800 . 5.800 4.766 4.721 4.828 . 0 0 "[ . 1]" 1
672 1 12 A H1' 3 3 TRP HH2 1.800 . 7.400 5.549 5.403 5.654 . 0 0 "[ . 1]" 1
673 1 12 A H1' 3 3 TRP HZ2 1.800 . 7.400 4.255 4.178 4.329 . 0 0 "[ . 1]" 1
674 1 12 A H1' 3 6 PRO QB 1.800 . 7.500 6.521 6.420 6.627 . 0 0 "[ . 1]" 1
675 1 12 A H2 1 12 A H4' 1.800 . 7.200 7.387 7.321 7.588 0.388 2 0 "[ . 1]" 1
676 1 12 A H2 1 12 A HO2' 1.800 . 6.100 5.285 4.601 5.727 . 0 0 "[ . 1]" 1
677 1 12 A H2 2 6 A H2 1.800 . 7.800 7.968 7.878 8.010 0.210 3 0 "[ . 1]" 1
678 1 12 A H2 2 6 A H8 1.800 . 8.900 9.251 9.169 9.324 0.424 10 0 "[ . 1]" 1
679 1 12 A H2 3 2 GLN HA 1.800 . 6.400 4.369 4.357 4.386 . 0 0 "[ . 1]" 1
680 1 12 A H2 3 2 GLN QG 1.800 . 7.900 2.322 2.309 2.333 . 0 0 "[ . 1]" 1
681 1 12 A H2 3 3 TRP HA 1.800 . 7.900 7.846 7.829 7.858 . 0 0 "[ . 1]" 1
682 1 12 A H2 3 3 TRP HD1 1.800 . 7.500 5.259 5.202 5.285 . 0 0 "[ . 1]" 1
683 1 12 A H2 3 3 TRP HE3 1.800 . 7.600 7.805 7.790 7.827 0.227 9 0 "[ . 1]" 1
684 1 12 A H2 3 3 TRP HZ2 1.800 . 6.300 3.843 3.811 3.870 . 0 0 "[ . 1]" 1
685 1 12 A H2 3 3 TRP HZ3 1.800 . 7.900 7.783 7.749 7.812 . 0 0 "[ . 1]" 1
686 1 12 A H2 3 4 ASN HA 1.800 . 9.600 9.507 9.479 9.551 . 0 0 "[ . 1]" 1
687 1 12 A H2 3 4 ASN QB 1.800 . 9.400 8.465 8.455 8.474 . 0 0 "[ . 1]" 1
688 1 12 A H2 3 5 LYS QB 1.800 . 7.400 5.570 5.512 5.683 . 0 0 "[ . 1]" 1
689 1 12 A H2 3 6 PRO QD 1.800 . 7.700 4.214 4.167 4.269 . 0 0 "[ . 1]" 1
690 1 12 A H2 3 6 PRO QG 1.800 . 6.500 3.293 3.229 3.398 . 0 0 "[ . 1]" 1
691 1 12 A H2 3 8 LYS QG 1.800 . 8.400 7.434 7.317 7.674 . 0 0 "[ . 1]" 1
692 1 12 A H3' 1 12 A H8 1.800 . 3.400 3.387 3.257 3.431 0.031 7 0 "[ . 1]" 1
693 1 12 A H4' 1 12 A H8 1.800 . 4.000 4.147 4.046 4.182 0.182 4 0 "[ . 1]" 1
694 1 12 A H4' 2 6 A H2 1.800 . 7.700 6.233 6.100 6.617 . 0 0 "[ . 1]" 1
695 1 12 A H4' 3 3 TRP HH2 1.800 . 7.700 7.654 7.472 7.767 0.067 6 0 "[ . 1]" 1
696 1 12 A H4' 3 3 TRP HZ2 1.800 . 7.700 6.933 6.819 7.126 . 0 0 "[ . 1]" 1
697 1 12 A H5' 1 12 A H8 1.800 . 4.500 4.358 3.747 4.617 0.117 5 0 "[ . 1]" 1
698 1 12 A H5' 2 6 A H1' 1.800 . 8.300 5.413 4.923 5.818 . 0 0 "[ . 1]" 1
699 1 12 A H5' 2 6 A H8 1.800 . 7.300 2.834 2.423 3.316 . 0 0 "[ . 1]" 1
700 1 12 A H5'' 2 6 A H1' 1.800 . 7.200 6.574 6.332 6.751 . 0 0 "[ . 1]" 1
701 1 12 A H5'' 2 6 A H4' 1.800 . 8.800 8.886 8.558 9.161 0.361 5 0 "[ . 1]" 1
702 1 12 A H5'' 2 6 A H8 1.800 . 7.200 3.970 3.643 4.230 . 0 0 "[ . 1]" 1
703 1 12 A H8 1 12 A HO2' 1.800 . 3.400 5.233 5.021 5.528 2.128 1 10 [+*-*******] 1
704 1 12 A H8 2 6 A H1' 1.800 . 7.400 7.741 7.665 7.834 0.434 3 0 "[ . 1]" 1
705 1 12 A H8 2 6 A H2 1.800 . 9.200 9.393 9.354 9.438 0.238 3 0 "[ . 1]" 1
706 1 12 A H8 2 6 A H8 1.800 . 5.900 6.049 6.001 6.091 0.191 10 0 "[ . 1]" 1
707 1 12 A H8 3 2 GLN QB 1.800 . 8.200 7.485 7.442 7.506 . 0 0 "[ . 1]" 1
708 1 12 A H8 3 3 TRP HH2 1.800 . 7.400 6.168 6.072 6.244 . 0 0 "[ . 1]" 1
709 1 12 A H8 3 3 TRP HZ3 1.800 . 8.600 8.556 8.465 8.625 0.025 1 0 "[ . 1]" 1
710 1 12 A H8 3 6 PRO QG 1.800 . 7.400 4.286 4.221 4.368 . 0 0 "[ . 1]" 1
711 1 12 A HO2' 2 6 A H8 1.800 . 8.600 4.913 4.132 5.895 . 0 0 "[ . 1]" 1
712 1 12 A HO2' 3 3 TRP HH2 1.800 . 8.500 7.926 7.209 8.773 0.273 7 0 "[ . 1]" 1
713 1 12 A HO2' 3 3 TRP HZ2 1.800 . 7.900 6.332 5.631 7.076 . 0 0 "[ . 1]" 1
714 2 1 G H1' 2 1 G H3' 1.800 . 4.800 3.723 3.711 3.732 . 0 0 "[ . 1]" 1
715 2 1 G H1' 2 1 G H4' 1.800 . 4.800 2.726 2.713 2.771 . 0 0 "[ . 1]" 1
716 2 1 G H1' 2 1 G H5' 1.800 . 6.500 4.492 4.444 4.532 . 0 0 "[ . 1]" 1
717 2 1 G H1' 2 1 G H8 1.800 . 5.000 3.592 3.535 3.704 . 0 0 "[ . 1]" 1
718 2 1 G H1' 2 1 G HO2' 1.800 . 4.900 2.751 2.074 3.458 . 0 0 "[ . 1]" 1
719 2 1 G H1' 2 2 G H1' 1.800 . 8.400 4.865 4.709 5.282 . 0 0 "[ . 1]" 1
720 2 1 G H1' 2 2 G H3' 1.800 . 7.100 4.801 4.583 4.867 . 0 0 "[ . 1]" 1
721 2 1 G H1' 2 2 G H4' 1.800 . 7.300 4.636 4.515 5.016 . 0 0 "[ . 1]" 1
722 2 1 G H1' 2 2 G H5' 1.800 . 6.200 3.642 2.137 4.114 . 0 0 "[ . 1]" 1
723 2 1 G H1' 2 2 G H5'' 1.800 . 7.300 2.335 2.144 3.703 . 0 0 "[ . 1]" 1
724 2 1 G H1' 2 2 G H8 1.800 . 3.400 1.984 1.955 2.063 . 0 0 "[ . 1]" 1
725 2 1 G H1' 2 2 G HO2' 1.800 . 5.800 6.287 6.108 6.466 0.666 10 5 "[ * ** - +]" 1
726 2 1 G H1' 2 3 A H2 1.800 . 8.100 5.716 5.624 5.982 . 0 0 "[ . 1]" 1
727 2 1 G H3' 2 1 G H4' 1.800 . 4.800 2.920 2.902 2.927 . 0 0 "[ . 1]" 1
728 2 1 G H3' 2 1 G H5' 1.800 . 4.700 2.405 2.290 2.552 . 0 0 "[ . 1]" 1
729 2 1 G H3' 2 1 G H5'' 1.800 . 4.000 3.621 3.583 3.658 . 0 0 "[ . 1]" 1
730 2 1 G H3' 2 1 G H8 1.800 . 4.500 4.673 4.613 4.706 0.206 5 0 "[ . 1]" 1
731 2 1 G H3' 2 2 G H3' 1.800 . 7.300 7.008 6.548 7.139 . 0 0 "[ . 1]" 1
732 2 1 G H3' 2 2 G H4' 1.800 . 7.400 6.403 6.253 6.900 . 0 0 "[ . 1]" 1
733 2 1 G H3' 2 2 G H5' 1.800 . 7.400 5.099 4.462 5.329 . 0 0 "[ . 1]" 1
734 2 1 G H3' 2 2 G H8 1.800 . 5.200 5.549 5.450 5.582 0.382 5 0 "[ . 1]" 1
735 2 1 G H3' 2 3 A H2 1.800 . 8.200 6.227 6.070 6.684 . 0 0 "[ . 1]" 1
736 2 1 G H3' 2 12 A H1' 1.800 . 8.000 7.418 7.045 7.535 . 0 0 "[ . 1]" 1
737 2 1 G H3' 2 12 A HO2' 1.800 . 7.200 4.947 4.259 5.693 . 0 0 "[ . 1]" 1
738 2 1 G H4' 2 1 G H5' 1.800 . 4.000 3.039 3.027 3.051 . 0 0 "[ . 1]" 1
739 2 1 G H4' 2 1 G H5'' 1.800 . 3.900 2.529 2.453 2.599 . 0 0 "[ . 1]" 1
740 2 1 G H4' 2 1 G H8 1.800 . 6.200 5.557 5.532 5.571 . 0 0 "[ . 1]" 1
741 2 1 G H4' 2 2 G H4' 1.800 . 6.400 3.827 3.573 4.288 . 0 0 "[ . 1]" 1
742 2 1 G H4' 2 2 G H5' 1.800 . 6.000 3.565 2.158 4.133 . 0 0 "[ . 1]" 1
743 2 1 G H4' 2 2 G H5'' 1.800 . 6.200 2.541 2.096 3.050 . 0 0 "[ . 1]" 1
744 2 1 G H4' 2 2 G H8 1.800 . 6.000 4.322 4.234 4.502 . 0 0 "[ . 1]" 1
745 2 1 G H4' 2 3 A H2 1.800 . 7.500 3.593 3.466 3.983 . 0 0 "[ . 1]" 1
746 2 1 G H5' 2 1 G H8 1.800 . 6.200 5.320 5.020 5.508 . 0 0 "[ . 1]" 1
747 2 1 G H5' 2 1 G HO2' 1.800 . 5.800 5.269 5.024 5.437 . 0 0 "[ . 1]" 1
748 2 1 G H5' 2 3 A H2 1.800 . 7.700 5.788 5.561 6.182 . 0 0 "[ . 1]" 1
749 2 1 G H5'' 2 1 G H8 1.800 . 6.200 6.058 5.890 6.169 . 0 0 "[ . 1]" 1
750 2 1 G H5'' 2 1 G HO2' 1.800 . 5.800 6.015 5.682 6.179 0.379 2 0 "[ . 1]" 1
751 2 1 G H8 2 1 G HO2' 1.800 . 3.500 2.987 2.318 3.746 0.246 1 0 "[ . 1]" 1
752 2 1 G H8 2 2 G H3' 1.800 . 7.900 8.054 7.953 8.114 0.214 4 0 "[ . 1]" 1
753 2 1 G H8 2 2 G H5' 1.800 . 8.400 6.920 5.755 7.339 . 0 0 "[ . 1]" 1
754 2 1 G H8 2 2 G H8 1.800 . 6.300 4.515 4.354 4.809 . 0 0 "[ . 1]" 1
755 2 1 G H8 2 11 G H1' 1.800 . 6.100 4.739 4.617 4.844 . 0 0 "[ . 1]" 1
756 2 1 G H8 2 11 G H8 1.800 . 8.300 7.194 7.011 7.305 . 0 0 "[ . 1]" 1
757 2 1 G H8 2 12 A H1' 1.800 . 8.000 3.578 3.475 3.639 . 0 0 "[ . 1]" 1
758 2 1 G H8 2 12 A H4' 1.800 . 8.000 4.510 4.375 4.962 . 0 0 "[ . 1]" 1
759 2 1 G H8 2 12 A H8 1.800 . 8.400 6.894 6.863 6.926 . 0 0 "[ . 1]" 1
760 2 1 G HO2' 2 2 G H5' 1.800 . 8.400 4.741 3.801 5.615 . 0 0 "[ . 1]" 1
761 2 1 G HO2' 2 2 G H8 1.800 . 6.100 3.569 2.757 4.563 . 0 0 "[ . 1]" 1
762 2 2 G H1' 2 2 G H3' 1.800 . 5.100 3.981 3.941 4.010 . 0 0 "[ . 1]" 1
763 2 2 G H1' 2 2 G H4' 1.800 . 3.900 3.374 3.253 3.598 . 0 0 "[ . 1]" 1
764 2 2 G H1' 2 2 G H5' 1.800 . 7.000 4.831 4.142 4.965 . 0 0 "[ . 1]" 1
765 2 2 G H1' 2 2 G H5'' 1.800 . 6.300 4.416 4.273 4.952 . 0 0 "[ . 1]" 1
766 2 2 G H1' 2 2 G H8 1.800 . 4.900 3.904 3.884 3.918 . 0 0 "[ . 1]" 1
767 2 2 G H1' 2 2 G HO2' 1.800 . 3.900 2.942 2.259 3.371 . 0 0 "[ . 1]" 1
768 2 2 G H1' 2 3 A H1' 1.800 . 7.300 5.466 5.184 6.187 . 0 0 "[ . 1]" 1
769 2 2 G H1' 2 3 A H2 1.800 . 7.100 5.352 5.076 6.014 . 0 0 "[ . 1]" 1
770 2 2 G H1' 2 3 A H3' 1.800 . 5.900 3.125 2.999 3.193 . 0 0 "[ . 1]" 1
771 2 2 G H1' 2 3 A H4' 1.800 . 7.200 4.707 4.597 4.890 . 0 0 "[ . 1]" 1
772 2 2 G H1' 2 3 A H5' 1.800 . 4.800 2.254 2.188 2.528 . 0 0 "[ . 1]" 1
773 2 2 G H1' 2 3 A H8 1.800 . 5.100 4.173 3.923 4.855 . 0 0 "[ . 1]" 1
774 2 2 G H1' 2 3 A HO2' 1.800 . 6.000 6.428 6.043 6.687 0.687 2 4 "[ + * * -]" 1
775 2 2 G H1' 2 4 G H8 1.800 . 6.400 4.825 4.645 5.282 . 0 0 "[ . 1]" 1
776 2 2 G H1' 4 5 LYS QE 1.800 . 7.500 6.672 6.338 6.801 . 0 0 "[ . 1]" 1
777 2 2 G H3' 2 2 G H4' 1.800 . 3.500 2.842 2.782 2.875 . 0 0 "[ . 1]" 1
778 2 2 G H3' 2 2 G H5' 1.800 . 4.700 2.250 2.121 3.235 . 0 0 "[ . 1]" 1
779 2 2 G H3' 2 2 G H8 1.800 . 4.000 3.930 3.708 4.002 0.002 8 0 "[ . 1]" 1
780 2 2 G H3' 2 2 G HO2' 1.800 . 3.300 3.376 2.824 3.880 0.580 2 2 "[-+ . 1]" 1
781 2 2 G H3' 2 3 A H2 1.800 . 6.300 5.601 5.445 6.191 . 0 0 "[ . 1]" 1
782 2 2 G H3' 2 3 A H5' 1.800 . 7.000 4.513 4.298 4.671 . 0 0 "[ . 1]" 1
783 2 2 G H4' 2 2 G H5'' 1.800 . 3.500 2.882 2.227 3.008 . 0 0 "[ . 1]" 1
784 2 2 G H4' 2 2 G H8 1.800 . 5.800 4.621 4.587 4.692 . 0 0 "[ . 1]" 1
785 2 2 G H4' 2 2 G HO2' 1.800 . 4.800 4.628 3.830 4.887 0.087 6 0 "[ . 1]" 1
786 2 2 G H4' 2 3 A H1' 1.800 . 5.800 5.657 5.524 5.967 0.167 7 0 "[ . 1]" 1
787 2 2 G H4' 2 3 A H2 1.800 . 5.100 2.875 2.682 3.477 . 0 0 "[ . 1]" 1
788 2 2 G H4' 2 3 A H3' 1.800 . 6.300 5.365 4.878 5.558 . 0 0 "[ . 1]" 1
789 2 2 G H4' 2 3 A H4' 1.800 . 6.300 5.232 4.849 5.395 . 0 0 "[ . 1]" 1
790 2 2 G H4' 2 3 A H5' 1.800 . 4.900 4.047 3.296 4.341 . 0 0 "[ . 1]" 1
791 2 2 G H4' 2 3 A H8 1.800 . 6.100 6.167 6.113 6.216 0.116 7 0 "[ . 1]" 1
792 2 2 G H4' 2 3 A HO2' 1.800 . 6.500 7.418 6.683 7.932 1.432 10 8 "[** -** **+]" 1
793 2 2 G H5' 2 2 G H8 1.800 . 5.900 3.714 2.588 4.224 . 0 0 "[ . 1]" 1
794 2 2 G H5' 2 3 A H2 1.800 . 5.200 4.701 4.084 4.984 . 0 0 "[ . 1]" 1
795 2 2 G H5' 2 3 A H5' 1.800 . 8.300 5.913 5.491 6.105 . 0 0 "[ . 1]" 1
796 2 2 G H5'' 2 2 G H8 1.800 . 5.900 2.794 2.530 4.291 . 0 0 "[ . 1]" 1
797 2 2 G H5'' 2 3 A H2 1.800 . 5.800 4.395 2.606 4.930 . 0 0 "[ . 1]" 1
798 2 2 G H5'' 2 3 A H3' 1.800 . 9.000 7.175 6.335 7.439 . 0 0 "[ . 1]" 1
799 2 2 G H5'' 2 3 A H5' 1.800 . 7.300 5.897 5.569 6.039 . 0 0 "[ . 1]" 1
800 2 2 G H5'' 2 3 A H8 1.800 . 7.800 7.564 6.625 7.823 0.023 7 0 "[ . 1]" 1
801 2 2 G H8 2 2 G HO2' 1.800 . 3.300 4.716 4.548 5.006 1.706 7 10 [******+*-*] 1
802 2 2 G H8 2 3 A H1' 1.800 . 8.800 8.829 8.695 9.037 0.237 7 0 "[ . 1]" 1
803 2 2 G H8 2 3 A H2 1.800 . 7.600 6.526 6.422 6.736 . 0 0 "[ . 1]" 1
804 2 2 G H8 2 3 A H3' 1.800 . 7.700 6.923 6.768 7.009 . 0 0 "[ . 1]" 1
805 2 2 G H8 2 3 A H5' 1.800 . 8.200 5.819 5.733 6.071 . 0 0 "[ . 1]" 1
806 2 2 G H8 2 12 A H1' 1.800 . 8.000 5.651 5.547 5.760 . 0 0 "[ . 1]" 1
807 2 2 G H8 4 2 GLN QG 1.800 . 7.300 4.965 4.953 5.007 . 0 0 "[ . 1]" 1
808 2 2 G H8 4 3 TRP HD1 1.800 . 7.500 6.607 6.579 6.646 . 0 0 "[ . 1]" 1
809 2 2 G H8 4 3 TRP HH2 1.800 . 8.500 8.790 8.758 8.854 0.354 3 0 "[ . 1]" 1
810 2 2 G H8 4 3 TRP HZ2 1.800 . 7.500 6.497 6.470 6.566 . 0 0 "[ . 1]" 1
811 2 2 G H8 4 5 LYS QE 1.800 . 8.200 7.586 7.549 7.670 . 0 0 "[ . 1]" 1
812 2 2 G H8 4 5 LYS QG 1.800 . 8.100 6.917 6.896 6.952 . 0 0 "[ . 1]" 1
813 2 2 G H8 4 6 PRO QB 1.800 . 8.400 7.688 7.637 7.716 . 0 0 "[ . 1]" 1
814 2 3 A H1' 2 3 A H3' 1.800 . 4.900 3.792 3.775 3.808 . 0 0 "[ . 1]" 1
815 2 3 A H1' 2 3 A H4' 1.800 . 3.800 3.689 3.685 3.694 . 0 0 "[ . 1]" 1
816 2 3 A H1' 2 3 A H5' 1.800 . 6.000 4.922 4.848 5.073 . 0 0 "[ . 1]" 1
817 2 3 A H1' 2 3 A H5'' 1.800 . 5.900 4.278 4.206 4.304 . 0 0 "[ . 1]" 1
818 2 3 A H1' 2 3 A H8 1.800 . 4.700 3.506 3.419 3.560 . 0 0 "[ . 1]" 1
819 2 3 A H1' 2 3 A HO2' 1.800 . 3.700 2.941 2.316 3.463 . 0 0 "[ . 1]" 1
820 2 3 A H1' 2 4 G Q5' 1.800 . 6.400 4.833 4.693 4.907 . 0 0 "[ . 1]" 1
821 2 3 A H1' 2 4 G H8 1.800 . 6.200 5.529 5.402 5.590 . 0 0 "[ . 1]" 1
822 2 3 A H2 2 3 A H5' 1.800 . 7.700 6.062 5.795 6.242 . 0 0 "[ . 1]" 1
823 2 3 A H2 2 3 A H5'' 1.800 . 7.100 4.434 4.033 4.667 . 0 0 "[ . 1]" 1
824 2 3 A H3' 2 3 A H4' 1.800 . 4.800 3.015 3.008 3.034 . 0 0 "[ . 1]" 1
825 2 3 A H3' 2 3 A H5' 1.800 . 3.900 2.227 2.144 2.429 . 0 0 "[ . 1]" 1
826 2 3 A H3' 2 3 A H5'' 1.800 . 3.900 3.100 2.870 3.207 . 0 0 "[ . 1]" 1
827 2 3 A H3' 2 3 A H8 1.800 . 3.500 2.646 2.505 2.845 . 0 0 "[ . 1]" 1
828 2 3 A H3' 2 3 A HO2' 1.800 . 3.700 3.691 3.375 4.028 0.328 8 0 "[ . 1]" 1
829 2 3 A H3' 2 4 G H1' 1.800 . 7.800 6.068 5.982 6.270 . 0 0 "[ . 1]" 1
830 2 3 A H3' 2 4 G Q5' 1.800 . 5.900 2.063 2.011 2.169 . 0 0 "[ . 1]" 1
831 2 3 A H3' 2 4 G H8 1.800 . 5.000 4.084 4.012 4.251 . 0 0 "[ . 1]" 1
832 2 3 A H4' 2 3 A H5' 1.800 . 3.900 2.811 2.681 2.870 . 0 0 "[ . 1]" 1
833 2 3 A H4' 2 3 A H5'' 1.800 . 3.400 2.893 2.850 2.982 . 0 0 "[ . 1]" 1
834 2 3 A H4' 2 3 A H8 1.800 . 5.800 5.080 4.998 5.190 . 0 0 "[ . 1]" 1
835 2 3 A H4' 2 4 G H8 1.800 . 7.300 6.910 6.861 7.017 . 0 0 "[ . 1]" 1
836 2 3 A H5' 2 3 A H8 1.800 . 4.900 4.494 4.221 4.945 0.045 7 0 "[ . 1]" 1
837 2 3 A H5' 2 3 A HO2' 1.800 . 5.800 5.068 4.496 5.651 . 0 0 "[ . 1]" 1
838 2 3 A H5' 2 4 G Q5' 1.800 . 8.000 3.874 3.731 4.229 . 0 0 "[ . 1]" 1
839 2 3 A H5' 2 4 G H8 1.800 . 7.200 5.712 5.468 6.237 . 0 0 "[ . 1]" 1
840 2 3 A H5'' 2 3 A H8 1.800 . 5.100 4.689 4.522 4.805 . 0 0 "[ . 1]" 1
841 2 3 A H5'' 2 4 G H8 1.800 . 6.300 6.122 5.870 6.243 . 0 0 "[ . 1]" 1
842 2 3 A H8 2 3 A HO2' 1.800 . 3.400 4.436 4.159 4.742 1.342 3 10 [**+*-*****] 1
843 2 3 A H8 2 4 G H1' 1.800 . 8.100 4.255 4.082 4.384 . 0 0 "[ . 1]" 1
844 2 3 A H8 2 4 G H4' 1.800 . 8.000 4.278 4.099 4.378 . 0 0 "[ . 1]" 1
845 2 3 A H8 2 4 G Q5' 1.800 . 5.800 2.604 2.468 2.705 . 0 0 "[ . 1]" 1
846 2 3 A H8 2 4 G H8 1.800 . 3.900 2.071 2.007 2.102 . 0 0 "[ . 1]" 1
847 2 3 A HO2' 2 4 G H1' 1.800 . 8.000 6.920 6.340 7.575 . 0 0 "[ . 1]" 1
848 2 3 A HO2' 2 4 G H4' 1.800 . 5.100 4.729 4.063 5.421 0.321 7 0 "[ . 1]" 1
849 2 3 A HO2' 2 4 G Q5' 1.800 . 5.100 4.175 3.640 4.661 . 0 0 "[ . 1]" 1
850 2 3 A HO2' 2 4 G H8 1.800 . 4.800 6.300 5.940 6.662 1.862 3 10 [**+******-] 1
851 2 4 G H1' 2 4 G H4' 1.800 . 4.800 3.490 3.467 3.509 . 0 0 "[ . 1]" 1
852 2 4 G H1' 2 4 G Q5' 1.800 . 6.000 4.041 4.029 4.060 . 0 0 "[ . 1]" 1
853 2 4 G H1' 2 4 G H8 1.800 . 3.800 3.314 3.300 3.332 . 0 0 "[ . 1]" 1
854 2 4 G H1' 2 4 G HO2' 1.800 . 3.600 2.504 1.935 3.250 . 0 0 "[ . 1]" 1
855 2 4 G H1' 2 5 G H1' 1.800 . 7.800 7.005 6.947 7.060 . 0 0 "[ . 1]" 1
856 2 4 G H1' 2 5 G H4' 1.800 . 7.600 6.537 6.489 6.592 . 0 0 "[ . 1]" 1
857 2 4 G H1' 2 5 G Q5' 1.800 . 7.200 4.138 4.103 4.171 . 0 0 "[ . 1]" 1
858 2 4 G H1' 2 5 G H8 1.800 . 5.800 5.121 4.999 5.254 . 0 0 "[ . 1]" 1
859 2 4 G H1' 2 6 A H2 1.800 . 4.900 3.179 3.004 3.366 . 0 0 "[ . 1]" 1
860 2 4 G H4' 2 4 G Q5' 1.800 . 3.600 2.500 2.486 2.525 . 0 0 "[ . 1]" 1
861 2 4 G H4' 2 4 G H8 1.800 . 6.000 4.632 4.603 4.653 . 0 0 "[ . 1]" 1
862 2 4 G H4' 2 4 G HO2' 1.800 . 5.100 3.998 3.195 4.269 . 0 0 "[ . 1]" 1
863 2 4 G H4' 2 5 G H8 1.800 . 6.000 5.076 4.990 5.199 . 0 0 "[ . 1]" 1
864 2 4 G H4' 2 6 A H2 1.800 . 7.200 5.499 5.389 5.609 . 0 0 "[ . 1]" 1
865 2 4 G Q5' 2 4 G H8 1.800 . 4.000 3.169 3.076 3.233 . 0 0 "[ . 1]" 1
866 2 4 G Q5' 2 4 G HO2' 1.800 . 6.400 4.998 4.515 5.162 . 0 0 "[ . 1]" 1
867 2 4 G Q5' 2 5 G Q5' 1.800 . 6.000 4.466 4.428 4.544 . 0 0 "[ . 1]" 1
868 2 4 G Q5' 2 5 G H8 1.800 . 6.300 3.129 3.043 3.374 . 0 0 "[ . 1]" 1
869 2 4 G Q5' 2 6 A H3' 1.800 . 9.000 8.545 8.441 8.607 . 0 0 "[ . 1]" 1
870 2 4 G H8 2 4 G HO2' 1.800 . 5.900 5.547 5.148 5.985 0.085 1 0 "[ . 1]" 1
871 2 4 G H8 2 5 G H8 1.800 . 7.200 5.023 4.912 5.184 . 0 0 "[ . 1]" 1
872 2 4 G H8 2 6 A H2 1.800 . 7.600 5.533 5.353 5.694 . 0 0 "[ . 1]" 1
873 2 4 G HO2' 2 5 G H1' 1.800 . 6.500 5.902 5.214 6.581 0.081 10 0 "[ . 1]" 1
874 2 4 G HO2' 2 5 G H4' 1.800 . 4.900 4.614 3.816 5.408 0.508 10 1 "[ . +]" 1
875 2 4 G HO2' 2 5 G Q5' 1.800 . 3.900 2.458 1.749 3.043 0.051 2 0 "[ . 1]" 1
876 2 4 G HO2' 2 5 G H8 1.800 . 3.500 5.172 4.790 5.491 1.991 10 10 [*-*******+] 1
877 2 4 G HO2' 2 6 A H2 1.800 . 3.400 2.214 1.894 3.273 . 0 0 "[ . 1]" 1
878 2 4 G HO2' 2 6 A H3' 1.800 . 10.100 6.727 6.086 7.569 . 0 0 "[ . 1]" 1
879 2 4 G HO2' 2 6 A H8 1.800 . 8.900 7.264 6.864 7.917 . 0 0 "[ . 1]" 1
880 2 4 G HO2' 2 6 A HO2' 1.800 . 7.700 7.211 5.837 7.991 0.291 6 0 "[ . 1]" 1
881 2 5 G H1' 2 5 G H4' 1.800 . 4.000 2.801 2.777 2.853 . 0 0 "[ . 1]" 1
882 2 5 G H1' 2 5 G Q5' 1.800 . 5.800 3.978 3.968 4.001 . 0 0 "[ . 1]" 1
883 2 5 G H1' 2 5 G H8 1.800 . 4.900 3.877 3.872 3.881 . 0 0 "[ . 1]" 1
884 2 5 G H1' 2 5 G HO2' 1.800 . 4.000 2.973 2.016 3.438 . 0 0 "[ . 1]" 1
885 2 5 G H1' 2 6 A H2 1.800 . 5.700 4.529 4.308 4.664 . 0 0 "[ . 1]" 1
886 2 5 G H1' 2 6 A H3' 1.800 . 6.000 2.553 2.319 2.619 . 0 0 "[ . 1]" 1
887 2 5 G H1' 2 6 A H4' 1.800 . 6.200 5.163 5.032 5.214 . 0 0 "[ . 1]" 1
888 2 5 G H1' 2 6 A Q5' 1.800 . 4.000 3.935 3.790 3.989 . 0 0 "[ . 1]" 1
889 2 5 G H1' 2 6 A HO2' 1.800 . 6.000 5.043 4.110 5.444 . 0 0 "[ . 1]" 1
890 2 5 G H1' 2 7 G H8 1.800 . 6.000 3.999 3.923 4.073 . 0 0 "[ . 1]" 1
891 2 5 G H1' 2 7 G HO2' 1.800 . 7.700 4.942 3.946 5.764 . 0 0 "[ . 1]" 1
892 2 5 G H1' 4 5 LYS QE 1.800 . 7.200 4.935 4.907 4.980 . 0 0 "[ . 1]" 1
893 2 5 G H1' 4 5 LYS QG 1.800 . 7.800 7.046 7.012 7.081 . 0 0 "[ . 1]" 1
894 2 5 G H3' 2 5 G H8 1.800 . 4.000 4.246 4.195 4.306 0.306 4 0 "[ . 1]" 1
895 2 5 G H3' 2 5 G HO2' 1.800 . 3.400 3.379 2.852 3.879 0.479 6 0 "[ . 1]" 1
896 2 5 G H3' 4 3 TRP HD1 1.800 . 7.700 7.902 7.867 7.932 0.232 4 0 "[ . 1]" 1
897 2 5 G H3' 4 5 LYS QD 1.800 . 7.700 6.305 6.265 6.381 . 0 0 "[ . 1]" 1
898 2 5 G H3' 4 5 LYS QE 1.800 . 8.300 5.021 4.997 5.059 . 0 0 "[ . 1]" 1
899 2 5 G H4' 2 5 G Q5' 1.800 . 3.300 2.114 2.106 2.117 . 0 0 "[ . 1]" 1
900 2 5 G H4' 2 6 A H2 1.800 . 4.200 4.033 3.826 4.188 . 0 0 "[ . 1]" 1
901 2 5 G H4' 2 6 A H3' 1.800 . 6.200 3.147 2.856 3.264 . 0 0 "[ . 1]" 1
902 2 5 G H4' 2 6 A HO2' 1.800 . 5.900 5.707 4.962 6.062 0.162 6 0 "[ . 1]" 1
903 2 5 G H4' 2 7 G H8 1.800 . 7.500 5.506 5.408 5.599 . 0 0 "[ . 1]" 1
904 2 5 G Q5' 2 5 G H8 1.800 . 5.100 3.794 3.730 3.833 . 0 0 "[ . 1]" 1
905 2 5 G Q5' 2 5 G HO2' 1.800 . 4.900 5.225 4.940 5.370 0.470 2 0 "[ . 1]" 1
906 2 5 G Q5' 2 6 A H2 1.800 . 3.800 2.960 2.892 3.003 . 0 0 "[ . 1]" 1
907 2 5 G Q5' 2 6 A H4' 1.800 . 7.100 5.845 5.797 5.911 . 0 0 "[ . 1]" 1
908 2 5 G Q5' 2 6 A Q5' 1.800 . 5.100 3.071 3.013 3.165 . 0 0 "[ . 1]" 1
909 2 5 G Q5' 2 6 A H8 1.800 . 7.200 6.503 6.302 6.715 . 0 0 "[ . 1]" 1
910 2 5 G H8 2 5 G HO2' 1.800 . 3.400 4.436 4.016 4.973 1.573 5 10 [*-**+*****] 1
911 2 5 G H8 2 6 A H2 1.800 . 4.800 4.619 4.516 4.757 . 0 0 "[ . 1]" 1
912 2 5 G H8 4 2 GLN HA 1.800 . 7.600 4.297 4.263 4.328 . 0 0 "[ . 1]" 1
913 2 5 G H8 4 2 GLN QG 1.800 . 7.700 6.257 6.236 6.273 . 0 0 "[ . 1]" 1
914 2 5 G H8 4 3 TRP QB 1.800 . 7.500 4.533 4.524 4.546 . 0 0 "[ . 1]" 1
915 2 5 G H8 4 3 TRP HD1 1.800 . 7.500 4.319 4.292 4.338 . 0 0 "[ . 1]" 1
916 2 5 G H8 4 3 TRP HH2 1.800 . 10.100 10.392 10.374 10.402 0.302 8 0 "[ . 1]" 1
917 2 5 G H8 4 3 TRP HZ3 1.800 . 9.700 9.999 9.994 10.006 0.306 5 0 "[ . 1]" 1
918 2 5 G H8 4 4 ASN QB 1.800 . 8.000 7.324 7.311 7.336 . 0 0 "[ . 1]" 1
919 2 5 G H8 4 5 LYS QD 1.800 . 7.300 5.455 5.420 5.520 . 0 0 "[ . 1]" 1
920 2 5 G H8 4 5 LYS QE 1.800 . 6.200 3.458 3.430 3.510 . 0 0 "[ . 1]" 1
921 2 5 G H8 4 5 LYS QG 1.800 . 7.400 5.352 5.313 5.381 . 0 0 "[ . 1]" 1
922 2 5 G H8 4 6 PRO QG 1.800 . 9.800 9.028 8.997 9.046 . 0 0 "[ . 1]" 1
923 2 5 G HO2' 2 6 A H2 1.800 . 6.100 7.007 6.406 7.384 1.284 1 8 "[+-*** * **]" 1
924 2 5 G HO2' 4 2 GLN QB 1.800 . 8.300 7.308 6.662 8.171 . 0 0 "[ . 1]" 1
925 2 5 G HO2' 4 3 TRP HD1 1.800 . 7.700 6.157 5.412 7.125 . 0 0 "[ . 1]" 1
926 2 5 G HO2' 4 5 LYS QD 1.800 . 7.300 4.311 3.800 4.994 . 0 0 "[ . 1]" 1
927 2 5 G HO2' 4 5 LYS QE 1.800 . 7.300 3.444 2.854 4.256 . 0 0 "[ . 1]" 1
928 2 5 G HO2' 4 5 LYS QG 1.800 . 7.600 5.681 5.115 6.489 . 0 0 "[ . 1]" 1
929 2 6 A H1' 2 6 A H2 1.800 . 7.800 5.740 5.655 5.843 . 0 0 "[ . 1]" 1
930 2 6 A H1' 2 6 A H3' 1.800 . 5.700 3.957 3.906 4.025 . 0 0 "[ . 1]" 1
931 2 6 A H1' 2 6 A H4' 1.800 . 4.900 3.575 3.489 3.628 . 0 0 "[ . 1]" 1
932 2 6 A H1' 2 6 A H8 1.800 . 3.200 2.818 2.736 2.869 . 0 0 "[ . 1]" 1
933 2 6 A H1' 2 6 A HO2' 1.800 . 4.700 2.125 1.931 3.204 . 0 0 "[ . 1]" 1
934 2 6 A H1' 2 7 G H5' 1.800 . 8.900 5.247 3.148 5.900 . 0 0 "[ . 1]" 1
935 2 6 A H1' 2 7 G H8 1.800 . 6.200 3.671 3.534 3.850 . 0 0 "[ . 1]" 1
936 2 6 A H1' 2 7 G HO2' 1.800 . 7.700 7.280 6.702 7.692 . 0 0 "[ . 1]" 1
937 2 6 A H2 2 6 A H3' 1.800 . 7.400 5.191 4.843 5.428 . 0 0 "[ . 1]" 1
938 2 6 A H2 2 6 A H4' 1.800 . 7.400 6.959 6.763 7.103 . 0 0 "[ . 1]" 1
939 2 6 A H2 2 6 A Q5' 1.800 . 6.000 4.523 4.169 4.718 . 0 0 "[ . 1]" 1
940 2 6 A H2 2 6 A HO2' 1.800 . 6.000 5.233 3.942 5.823 . 0 0 "[ . 1]" 1
941 2 6 A H2 2 7 G H8 1.800 . 7.200 5.459 5.326 5.571 . 0 0 "[ . 1]" 1
942 2 6 A H3' 2 6 A H4' 1.800 . 3.800 2.749 2.718 2.796 . 0 0 "[ . 1]" 1
943 2 6 A H3' 2 6 A Q5' 1.800 . 3.800 2.756 2.586 2.856 . 0 0 "[ . 1]" 1
944 2 6 A H3' 2 6 A H8 1.800 . 6.100 6.031 5.983 6.063 . 0 0 "[ . 1]" 1
945 2 6 A H3' 2 6 A HO2' 1.800 . 3.700 3.519 3.315 3.778 0.078 7 0 "[ . 1]" 1
946 2 6 A H3' 2 7 G H1' 1.800 . 7.800 5.673 5.371 6.194 . 0 0 "[ . 1]" 1
947 2 6 A H3' 2 7 G H3' 1.800 . 6.100 4.021 3.586 4.942 . 0 0 "[ . 1]" 1
948 2 6 A H3' 2 7 G H4' 1.800 . 7.500 6.249 5.983 6.471 . 0 0 "[ . 1]" 1
949 2 6 A H3' 2 7 G H5' 1.800 . 7.000 6.042 4.163 6.479 . 0 0 "[ . 1]" 1
950 2 6 A H3' 2 7 G H5'' 1.800 . 7.100 5.617 5.137 6.468 . 0 0 "[ . 1]" 1
951 2 6 A H3' 2 7 G H8 1.800 . 3.500 2.953 2.834 3.172 . 0 0 "[ . 1]" 1
952 2 6 A H3' 2 7 G HO2' 1.800 . 4.800 4.587 3.615 5.454 0.654 3 2 "[ + . - 1]" 1
953 2 6 A H3' 2 8 G H8 1.800 . 7.900 6.332 6.169 6.678 . 0 0 "[ . 1]" 1
954 2 6 A H4' 2 6 A Q5' 1.800 . 3.600 2.328 2.296 2.397 . 0 0 "[ . 1]" 1
955 2 6 A H4' 2 6 A H8 1.800 . 6.200 5.034 4.955 5.126 . 0 0 "[ . 1]" 1
956 2 6 A H4' 2 6 A HO2' 1.800 . 5.100 4.434 4.071 5.057 . 0 0 "[ . 1]" 1
957 2 6 A H4' 2 7 G H3' 1.800 . 8.100 4.041 3.670 4.748 . 0 0 "[ . 1]" 1
958 2 6 A H4' 2 7 G H5'' 1.800 . 7.100 4.656 4.194 5.581 . 0 0 "[ . 1]" 1
959 2 6 A H4' 2 7 G H8 1.800 . 6.100 4.732 4.624 4.886 . 0 0 "[ . 1]" 1
960 2 6 A H4' 2 7 G HO2' 1.800 . 7.300 6.077 5.380 6.783 . 0 0 "[ . 1]" 1
961 2 6 A Q5' 2 6 A HO2' 1.800 . 3.900 4.625 4.488 4.762 0.862 7 10 [******+-**] 1
962 2 6 A Q5' 2 7 G H3' 1.800 . 7.300 5.614 5.275 6.279 . 0 0 "[ . 1]" 1
963 2 6 A Q5' 2 7 G H8 1.800 . 5.100 4.947 4.804 5.061 . 0 0 "[ . 1]" 1
964 2 6 A Q5' 2 7 G HO2' 1.800 . 6.000 6.713 5.890 7.484 1.484 3 7 "[**+** * -]" 1
965 2 6 A H8 2 6 A HO2' 1.800 . 5.000 4.727 4.475 5.393 0.393 8 0 "[ . 1]" 1
966 2 6 A H8 2 7 G H8 1.800 . 7.100 6.334 6.295 6.397 . 0 0 "[ . 1]" 1
967 2 6 A HO2' 2 7 G H3' 1.800 . 9.100 5.131 4.538 5.782 . 0 0 "[ . 1]" 1
968 2 6 A HO2' 2 7 G H5' 1.800 . 9.200 5.081 3.116 6.698 . 0 0 "[ . 1]" 1
969 2 6 A HO2' 2 7 G H8 1.800 . 3.900 1.879 1.728 2.179 0.072 9 0 "[ . 1]" 1
970 2 6 A HO2' 2 7 G HO2' 1.800 . 6.100 6.004 5.365 6.493 0.393 7 0 "[ . 1]" 1
971 2 7 G H1' 2 7 G H3' 1.800 . 5.100 3.773 3.671 3.811 . 0 0 "[ . 1]" 1
972 2 7 G H1' 2 7 G H4' 1.800 . 4.700 2.814 2.748 2.975 . 0 0 "[ . 1]" 1
973 2 7 G H1' 2 7 G H5' 1.800 . 6.400 4.551 4.386 4.651 . 0 0 "[ . 1]" 1
974 2 7 G H1' 2 7 G H5'' 1.800 . 7.100 4.785 4.756 4.823 . 0 0 "[ . 1]" 1
975 2 7 G H1' 2 7 G H8 1.800 . 5.000 3.893 3.876 3.911 . 0 0 "[ . 1]" 1
976 2 7 G H1' 2 7 G HO2' 1.800 . 4.700 2.960 2.097 3.447 . 0 0 "[ . 1]" 1
977 2 7 G H1' 2 8 G H3' 1.800 . 6.400 4.755 4.503 5.291 . 0 0 "[ . 1]" 1
978 2 7 G H1' 2 8 G H4' 1.800 . 7.200 4.669 4.583 5.016 . 0 0 "[ . 1]" 1
979 2 7 G H1' 2 8 G H5' 1.800 . 6.400 2.237 2.165 2.553 . 0 0 "[ . 1]" 1
980 2 7 G H1' 2 8 G H5'' 1.800 . 6.400 3.928 3.813 4.161 . 0 0 "[ . 1]" 1
981 2 7 G H1' 2 8 G H8 1.800 . 3.400 2.963 2.733 3.509 0.109 7 0 "[ . 1]" 1
982 2 7 G H1' 2 8 G HO2' 1.800 . 5.800 6.363 6.060 7.058 1.258 7 5 "[ ** . +* -]" 1
983 2 7 G H3' 2 7 G H4' 1.800 . 3.700 2.901 2.813 2.915 . 0 0 "[ . 1]" 1
984 2 7 G H3' 2 7 G H5' 1.800 . 4.800 3.531 3.365 3.627 . 0 0 "[ . 1]" 1
985 2 7 G H3' 2 7 G H5'' 1.800 . 3.800 2.529 2.194 3.337 . 0 0 "[ . 1]" 1
986 2 7 G H3' 2 7 G H8 1.800 . 4.800 4.333 4.194 4.763 . 0 0 "[ . 1]" 1
987 2 7 G H3' 2 7 G HO2' 1.800 . 3.600 3.049 2.725 3.574 . 0 0 "[ . 1]" 1
988 2 7 G H3' 2 8 G H4' 1.800 . 8.000 7.044 6.714 7.318 . 0 0 "[ . 1]" 1
989 2 7 G H3' 2 8 G H5' 1.800 . 7.400 4.364 4.037 4.777 . 0 0 "[ . 1]" 1
990 2 7 G H3' 2 8 G H5'' 1.800 . 7.300 5.515 5.336 5.761 . 0 0 "[ . 1]" 1
991 2 7 G H3' 2 8 G H8 1.800 . 5.800 5.074 4.625 5.325 . 0 0 "[ . 1]" 1
992 2 7 G H3' 2 9 A H2 1.800 . 7.700 7.204 6.988 7.507 . 0 0 "[ . 1]" 1
993 2 7 G H4' 2 7 G H5' 1.800 . 3.500 2.440 2.278 2.875 . 0 0 "[ . 1]" 1
994 2 7 G H4' 2 7 G H5'' 1.800 . 3.500 2.515 2.235 2.671 . 0 0 "[ . 1]" 1
995 2 7 G H4' 2 7 G H8 1.800 . 6.100 5.163 4.950 5.203 . 0 0 "[ . 1]" 1
996 2 7 G H4' 2 7 G HO2' 1.800 . 5.200 4.207 3.730 4.781 . 0 0 "[ . 1]" 1
997 2 7 G H4' 2 8 G H4' 1.800 . 7.700 5.074 4.865 6.280 . 0 0 "[ . 1]" 1
998 2 7 G H4' 2 8 G H5' 1.800 . 6.200 2.424 2.193 3.510 . 0 0 "[ . 1]" 1
999 2 7 G H4' 2 8 G H5'' 1.800 . 6.300 3.173 2.937 4.430 . 0 0 "[ . 1]" 1
1000 2 7 G H4' 2 8 G H8 1.800 . 6.300 5.184 5.007 5.792 . 0 0 "[ . 1]" 1
1001 2 7 G H4' 2 9 A H2 1.800 . 6.500 4.408 4.139 5.011 . 0 0 "[ . 1]" 1
1002 2 7 G H5' 2 7 G H8 1.800 . 6.100 5.153 3.554 5.587 . 0 0 "[ . 1]" 1
1003 2 7 G H5' 2 7 G HO2' 1.800 . 6.000 5.800 5.349 6.211 0.211 8 0 "[ . 1]" 1
1004 2 7 G H5'' 2 7 G H8 1.800 . 6.100 5.413 5.181 5.854 . 0 0 "[ . 1]" 1
1005 2 7 G H5'' 2 7 G HO2' 1.800 . 5.800 5.271 4.852 5.814 0.014 7 0 "[ . 1]" 1
1006 2 7 G H8 2 7 G HO2' 1.800 . 3.300 4.449 3.904 4.822 1.522 7 10 [*****-+***] 1
1007 2 7 G H8 2 8 G H8 1.800 . 6.200 5.361 5.287 5.409 . 0 0 "[ . 1]" 1
1008 2 7 G HO2' 2 8 G H5'' 1.800 . 8.100 5.467 4.631 6.352 . 0 0 "[ . 1]" 1
1009 2 7 G HO2' 2 8 G H8 1.800 . 5.700 2.385 1.757 2.980 0.043 4 0 "[ . 1]" 1
1010 2 8 G H1' 2 8 G H3' 1.800 . 5.100 3.901 3.884 3.923 . 0 0 "[ . 1]" 1
1011 2 8 G H1' 2 8 G H4' 1.800 . 4.800 3.053 2.981 3.126 . 0 0 "[ . 1]" 1
1012 2 8 G H1' 2 8 G H5' 1.800 . 7.600 4.403 4.384 4.413 . 0 0 "[ . 1]" 1
1013 2 8 G H1' 2 8 G H5'' 1.800 . 6.200 4.879 4.819 4.957 . 0 0 "[ . 1]" 1
1014 2 8 G H1' 2 8 G H8 1.800 . 4.800 3.897 3.879 3.910 . 0 0 "[ . 1]" 1
1015 2 8 G H1' 2 8 G HO2' 1.800 . 3.800 2.662 2.005 3.323 . 0 0 "[ . 1]" 1
1016 2 8 G H1' 2 9 A H2 1.800 . 8.500 6.650 6.514 6.792 . 0 0 "[ . 1]" 1
1017 2 8 G H1' 2 9 A H3' 1.800 . 6.100 3.609 3.410 3.693 . 0 0 "[ . 1]" 1
1018 2 8 G H1' 2 9 A H4' 1.800 . 7.300 5.416 5.369 5.465 . 0 0 "[ . 1]" 1
1019 2 8 G H1' 2 9 A H5' 1.800 . 4.800 3.506 3.276 3.678 . 0 0 "[ . 1]" 1
1020 2 8 G H1' 2 9 A H8 1.800 . 6.200 4.013 3.892 4.120 . 0 0 "[ . 1]" 1
1021 2 8 G H1' 2 10 G H8 1.800 . 6.500 5.064 4.911 5.215 . 0 0 "[ . 1]" 1
1022 2 8 G H1' 4 3 TRP QB 1.800 . 8.100 5.636 5.600 5.664 . 0 0 "[ . 1]" 1
1023 2 8 G H1' 4 12 ASN QB 1.800 . 7.200 2.974 2.846 3.193 . 0 0 "[ . 1]" 1
1024 2 8 G H3' 2 8 G H4' 1.800 . 3.500 2.888 2.872 2.906 . 0 0 "[ . 1]" 1
1025 2 8 G H3' 2 8 G H5' 1.800 . 4.700 3.283 3.184 3.413 . 0 0 "[ . 1]" 1
1026 2 8 G H3' 2 8 G H5'' 1.800 . 3.600 3.333 3.196 3.420 . 0 0 "[ . 1]" 1
1027 2 8 G H3' 2 8 G H8 1.800 . 3.900 4.055 3.978 4.113 0.213 2 0 "[ . 1]" 1
1028 2 8 G H3' 2 8 G HO2' 1.800 . 3.300 3.386 2.799 3.913 0.613 9 3 "[- *. +1]" 1
1029 2 8 G H3' 2 9 A H2 1.800 . 6.400 5.920 5.756 6.014 . 0 0 "[ . 1]" 1
1030 2 8 G H3' 2 9 A H5' 1.800 . 7.000 5.194 4.967 5.271 . 0 0 "[ . 1]" 1
1031 2 8 G H3' 4 3 TRP HZ3 1.800 . 7.900 7.292 7.080 7.377 . 0 0 "[ . 1]" 1
1032 2 8 G H4' 2 8 G H5' 1.800 . 3.600 2.858 2.775 2.906 . 0 0 "[ . 1]" 1
1033 2 8 G H4' 2 8 G H5'' 1.800 . 3.500 2.237 2.228 2.253 . 0 0 "[ . 1]" 1
1034 2 8 G H4' 2 8 G H8 1.800 . 5.800 5.028 4.983 5.055 . 0 0 "[ . 1]" 1
1035 2 8 G H4' 2 8 G HO2' 1.800 . 4.700 4.232 3.704 4.924 0.224 6 0 "[ . 1]" 1
1036 2 8 G H4' 2 9 A H1' 1.800 . 5.700 4.840 4.737 4.938 . 0 0 "[ . 1]" 1
1037 2 8 G H4' 2 9 A H2 1.800 . 5.700 3.959 3.783 4.097 . 0 0 "[ . 1]" 1
1038 2 8 G H4' 2 9 A H3' 1.800 . 6.500 4.401 4.253 4.508 . 0 0 "[ . 1]" 1
1039 2 8 G H4' 2 9 A H4' 1.800 . 7.400 4.716 4.645 4.761 . 0 0 "[ . 1]" 1
1040 2 8 G H4' 2 9 A H5'' 1.800 . 4.800 2.215 2.150 2.318 . 0 0 "[ . 1]" 1
1041 2 8 G H4' 2 9 A H8 1.800 . 7.100 4.726 4.627 4.834 . 0 0 "[ . 1]" 1
1042 2 8 G H4' 2 10 G H8 1.800 . 7.600 6.768 6.693 6.837 . 0 0 "[ . 1]" 1
1043 2 8 G H5' 2 8 G H8 1.800 . 6.000 3.819 3.746 3.963 . 0 0 "[ . 1]" 1
1044 2 8 G H5' 2 8 G HO2' 1.800 . 6.200 5.576 5.390 5.807 . 0 0 "[ . 1]" 1
1045 2 8 G H5' 2 9 A H1' 1.800 . 7.300 6.778 6.545 6.982 . 0 0 "[ . 1]" 1
1046 2 8 G H5' 2 9 A H2 1.800 . 5.800 3.889 3.684 4.055 . 0 0 "[ . 1]" 1
1047 2 8 G H5'' 2 8 G H8 1.800 . 5.800 5.323 5.285 5.363 . 0 0 "[ . 1]" 1
1048 2 8 G H5'' 2 9 A H1' 1.800 . 8.300 5.873 5.688 6.167 . 0 0 "[ . 1]" 1
1049 2 8 G H5'' 2 9 A H2 1.800 . 5.700 2.668 2.641 2.703 . 0 0 "[ . 1]" 1
1050 2 8 G H5'' 2 9 A H3' 1.800 . 7.600 6.439 6.336 6.560 . 0 0 "[ . 1]" 1
1051 2 8 G H5'' 2 9 A H8 1.800 . 8.800 6.242 6.085 6.426 . 0 0 "[ . 1]" 1
1052 2 8 G H8 2 8 G HO2' 1.800 . 3.200 4.425 3.813 4.903 1.703 7 10 [*****-+***] 1
1053 2 8 G H8 2 9 A H2 1.800 . 8.700 7.589 7.490 7.662 . 0 0 "[ . 1]" 1
1054 2 8 G H8 2 9 A H3' 1.800 . 7.200 7.399 7.263 7.465 0.265 7 0 "[ . 1]" 1
1055 2 8 G H8 2 9 A H5' 1.800 . 7.500 7.156 6.993 7.269 . 0 0 "[ . 1]" 1
1056 2 8 G H8 4 2 GLN HA 1.800 . 8.900 9.301 9.280 9.331 0.431 7 0 "[ . 1]" 1
1057 2 8 G H8 4 2 GLN QB 1.800 . 8.700 7.746 7.736 7.757 . 0 0 "[ . 1]" 1
1058 2 8 G H8 4 2 GLN QG 1.800 . 8.000 7.279 7.264 7.299 . 0 0 "[ . 1]" 1
1059 2 8 G H8 4 3 TRP HA 1.800 . 7.200 5.449 5.414 5.492 . 0 0 "[ . 1]" 1
1060 2 8 G H8 4 3 TRP QB 1.800 . 6.100 3.046 3.030 3.077 . 0 0 "[ . 1]" 1
1061 2 8 G H8 4 3 TRP HD1 1.800 . 6.300 6.496 6.477 6.512 0.212 8 0 "[ . 1]" 1
1062 2 8 G H8 4 3 TRP HE3 1.800 . 6.300 3.569 3.547 3.596 . 0 0 "[ . 1]" 1
1063 2 8 G H8 4 3 TRP HH2 1.800 . 7.400 7.496 7.464 7.541 0.141 3 0 "[ . 1]" 1
1064 2 8 G H8 4 3 TRP HZ2 1.800 . 7.900 8.097 8.082 8.121 0.221 3 0 "[ . 1]" 1
1065 2 8 G H8 4 3 TRP HZ3 1.800 . 7.100 5.456 5.419 5.502 . 0 0 "[ . 1]" 1
1066 2 8 G H8 4 4 ASN HA 1.800 . 6.400 5.592 5.559 5.675 . 0 0 "[ . 1]" 1
1067 2 8 G H8 4 4 ASN QB 1.800 . 6.400 3.101 3.061 3.166 . 0 0 "[ . 1]" 1
1068 2 8 G H8 4 5 LYS QD 1.800 . 8.200 6.693 6.661 6.756 . 0 0 "[ . 1]" 1
1069 2 8 G H8 4 5 LYS QG 1.800 . 8.500 7.406 7.376 7.436 . 0 0 "[ . 1]" 1
1070 2 8 G H8 4 6 PRO QG 1.800 . 10.200 9.295 9.277 9.310 . 0 0 "[ . 1]" 1
1071 2 8 G H8 4 10 LYS QG 1.800 . 7.400 6.357 5.996 6.741 . 0 0 "[ . 1]" 1
1072 2 8 G HO2' 4 3 TRP QB 1.800 . 7.200 5.799 4.996 6.403 . 0 0 "[ . 1]" 1
1073 2 8 G HO2' 4 12 ASN QB 1.800 . 6.200 4.241 3.572 5.010 . 0 0 "[ . 1]" 1
1074 2 9 A H1' 2 9 A H3' 1.800 . 4.900 3.820 3.811 3.828 . 0 0 "[ . 1]" 1
1075 2 9 A H1' 2 9 A H4' 1.800 . 4.900 3.664 3.640 3.693 . 0 0 "[ . 1]" 1
1076 2 9 A H1' 2 9 A H5' 1.800 . 6.000 5.201 5.156 5.231 . 0 0 "[ . 1]" 1
1077 2 9 A H1' 2 9 A H8 1.800 . 4.800 3.667 3.612 3.688 . 0 0 "[ . 1]" 1
1078 2 9 A H1' 2 9 A HO2' 1.800 . 3.700 2.677 2.009 3.444 . 0 0 "[ . 1]" 1
1079 2 9 A H1' 2 10 G H3' 1.800 . 7.300 7.460 7.401 7.509 0.209 3 0 "[ . 1]" 1
1080 2 9 A H1' 2 10 G H8 1.800 . 6.200 6.257 6.172 6.319 0.119 7 0 "[ . 1]" 1
1081 2 9 A H2 2 9 A H5' 1.800 . 7.400 7.250 6.893 7.415 0.015 8 0 "[ . 1]" 1
1082 2 9 A H3' 2 9 A H4' 1.800 . 4.900 3.007 3.003 3.013 . 0 0 "[ . 1]" 1
1083 2 9 A H3' 2 9 A H5' 1.800 . 3.900 2.650 2.533 2.769 . 0 0 "[ . 1]" 1
1084 2 9 A H3' 2 9 A H5'' 1.800 . 3.900 2.573 2.492 2.621 . 0 0 "[ . 1]" 1
1085 2 9 A H3' 2 9 A H8 1.800 . 3.500 2.362 2.272 2.500 . 0 0 "[ . 1]" 1
1086 2 9 A H3' 2 9 A HO2' 1.800 . 4.000 3.731 3.377 4.080 0.080 2 0 "[ . 1]" 1
1087 2 9 A H3' 2 10 G H3' 1.800 . 5.100 4.363 4.279 4.454 . 0 0 "[ . 1]" 1
1088 2 9 A H3' 2 10 G H8 1.800 . 5.100 4.444 4.349 4.532 . 0 0 "[ . 1]" 1
1089 2 9 A H3' 2 10 G HO2' 1.800 . 7.900 7.818 6.949 8.218 0.318 2 0 "[ . 1]" 1
1090 2 9 A H4' 2 9 A H5' 1.800 . 3.900 2.518 2.489 2.554 . 0 0 "[ . 1]" 1
1091 2 9 A H4' 2 9 A H5'' 1.800 . 3.600 3.022 3.010 3.035 . 0 0 "[ . 1]" 1
1092 2 9 A H4' 2 9 A H8 1.800 . 6.800 4.897 4.839 4.998 . 0 0 "[ . 1]" 1
1093 2 9 A H4' 4 10 LYS QD 1.800 . 6.500 5.043 3.762 5.934 . 0 0 "[ . 1]" 1
1094 2 9 A H4' 4 10 LYS QE 1.800 . 8.300 5.682 2.156 6.570 . 0 0 "[ . 1]" 1
1095 2 9 A H5' 2 9 A H8 1.800 . 5.000 4.745 4.534 5.022 0.022 9 0 "[ . 1]" 1
1096 2 9 A H5' 2 9 A HO2' 1.800 . 5.800 5.093 4.490 5.721 . 0 0 "[ . 1]" 1
1097 2 9 A H5' 2 10 G H8 1.800 . 7.000 6.717 6.436 7.010 0.010 9 0 "[ . 1]" 1
1098 2 9 A H5'' 2 9 A H8 1.800 . 4.900 3.885 3.817 3.988 . 0 0 "[ . 1]" 1
1099 2 9 A H5'' 4 10 LYS QE 1.800 . 7.800 4.682 3.397 5.376 . 0 0 "[ . 1]" 1
1100 2 9 A H8 2 9 A HO2' 1.800 . 3.600 4.515 4.231 4.697 1.097 5 10 [****+***-*] 1
1101 2 9 A H8 2 10 G H1' 1.800 . 7.900 5.817 5.695 5.940 . 0 0 "[ . 1]" 1
1102 2 9 A H8 2 10 G H3' 1.800 . 5.000 4.476 4.405 4.569 . 0 0 "[ . 1]" 1
1103 2 9 A H8 2 10 G H8 1.800 . 3.800 2.715 2.680 2.762 . 0 0 "[ . 1]" 1
1104 2 9 A HO2' 2 10 G H3' 1.800 . 6.100 6.699 5.738 7.375 1.275 3 6 "[**+ -* *]" 1
1105 2 9 A HO2' 2 10 G H8 1.800 . 6.000 6.776 6.159 7.166 1.166 3 8 "[*-+**** *]" 1
1106 2 10 G H1' 2 10 G H3' 1.800 . 4.700 3.852 3.820 3.893 . 0 0 "[ . 1]" 1
1107 2 10 G H1' 2 10 G H8 1.800 . 3.900 3.671 3.638 3.708 . 0 0 "[ . 1]" 1
1108 2 10 G H1' 2 10 G HO2' 1.800 . 3.500 2.626 2.017 3.252 . 0 0 "[ . 1]" 1
1109 2 10 G H1' 2 11 G H1' 1.800 . 7.100 6.247 6.170 6.326 . 0 0 "[ . 1]" 1
1110 2 10 G H1' 2 11 G H3' 1.800 . 7.800 6.998 6.867 7.098 . 0 0 "[ . 1]" 1
1111 2 10 G H1' 2 11 G H4' 1.800 . 7.400 6.192 5.878 6.375 . 0 0 "[ . 1]" 1
1112 2 10 G H1' 2 11 G H5' 1.800 . 6.300 5.243 4.401 5.492 . 0 0 "[ . 1]" 1
1113 2 10 G H1' 2 11 G H8 1.800 . 5.100 4.824 4.683 4.985 . 0 0 "[ . 1]" 1
1114 2 10 G H1' 2 11 G HO2' 1.800 . 7.400 8.743 8.423 8.935 1.535 6 10 [*****+-***] 1
1115 2 10 G H3' 2 10 G H8 1.800 . 3.700 3.585 3.473 3.739 0.039 10 0 "[ . 1]" 1
1116 2 10 G H3' 2 11 G H1' 1.800 . 6.400 6.491 6.450 6.549 0.149 5 0 "[ . 1]" 1
1117 2 10 G H3' 2 11 G H3' 1.800 . 8.200 5.261 5.151 5.382 . 0 0 "[ . 1]" 1
1118 2 10 G H3' 2 11 G H8 1.800 . 3.800 3.414 3.203 3.596 . 0 0 "[ . 1]" 1
1119 2 10 G H4' 2 10 G H8 1.800 . 6.300 4.426 4.388 4.481 . 0 0 "[ . 1]" 1
1120 2 10 G H8 2 10 G HO2' 1.800 . 5.000 5.554 5.239 5.877 0.877 1 6 "[+* -. * **]" 1
1121 2 10 G H8 2 11 G H8 1.800 . 6.500 4.859 4.808 4.934 . 0 0 "[ . 1]" 1
1122 2 10 G HO2' 2 11 G H1' 1.800 . 6.200 5.305 4.587 6.449 0.249 6 0 "[ . 1]" 1
1123 2 10 G HO2' 2 11 G H3' 1.800 . 5.900 5.329 4.434 6.309 0.409 8 0 "[ . 1]" 1
1124 2 10 G HO2' 2 11 G H4' 1.800 . 5.100 4.372 3.650 5.429 0.329 3 0 "[ . 1]" 1
1125 2 10 G HO2' 2 11 G H5' 1.800 . 5.100 2.947 2.216 3.748 . 0 0 "[ . 1]" 1
1126 2 10 G HO2' 2 11 G H8 1.800 . 3.200 4.643 4.106 5.484 2.284 6 10 [*****+**-*] 1
1127 2 10 G HO2' 2 12 A H8 1.800 . 8.100 8.529 7.753 9.624 1.524 6 4 "[ * -+ * 1]" 1
1128 2 11 G H1' 2 11 G H3' 1.800 . 4.900 3.789 3.772 3.828 . 0 0 "[ . 1]" 1
1129 2 11 G H1' 2 11 G H4' 1.800 . 4.700 2.467 2.436 2.528 . 0 0 "[ . 1]" 1
1130 2 11 G H1' 2 11 G H5' 1.800 . 4.000 4.362 4.332 4.381 0.381 1 0 "[ . 1]" 1
1131 2 11 G H1' 2 11 G H5'' 1.800 . 6.400 4.716 4.698 4.750 . 0 0 "[ . 1]" 1
1132 2 11 G H1' 2 11 G H8 1.800 . 4.900 3.768 3.759 3.785 . 0 0 "[ . 1]" 1
1133 2 11 G H1' 2 11 G HO2' 1.800 . 3.500 3.194 2.755 3.430 . 0 0 "[ . 1]" 1
1134 2 11 G H1' 2 12 A H1' 1.800 . 7.200 2.030 1.999 2.118 . 0 0 "[ . 1]" 1
1135 2 11 G H1' 2 12 A H4' 1.800 . 5.700 2.349 2.272 2.507 . 0 0 "[ . 1]" 1
1136 2 11 G H1' 2 12 A H5' 1.800 . 5.800 3.923 3.574 4.434 . 0 0 "[ . 1]" 1
1137 2 11 G H1' 2 12 A H8 1.800 . 7.000 3.847 3.762 3.948 . 0 0 "[ . 1]" 1
1138 2 11 G H1' 2 12 A HO2' 1.800 . 5.900 4.062 3.271 4.834 . 0 0 "[ . 1]" 1
1139 2 11 G H1' 4 2 GLN QG 1.800 . 7.600 6.115 6.080 6.142 . 0 0 "[ . 1]" 1
1140 2 11 G H1' 4 3 TRP HE3 1.800 . 8.700 8.771 8.746 8.795 0.095 7 0 "[ . 1]" 1
1141 2 11 G H1' 4 3 TRP HH2 1.800 . 7.300 5.423 5.371 5.459 . 0 0 "[ . 1]" 1
1142 2 11 G H1' 4 3 TRP HZ2 1.800 . 7.500 4.909 4.882 4.931 . 0 0 "[ . 1]" 1
1143 2 11 G H1' 4 3 TRP HZ3 1.800 . 7.700 7.497 7.450 7.520 . 0 0 "[ . 1]" 1
1144 2 11 G H1' 4 8 LYS QG 1.800 . 7.900 7.224 7.140 7.339 . 0 0 "[ . 1]" 1
1145 2 11 G H1' 4 12 ASN QB 1.800 . 7.600 6.843 6.647 7.034 . 0 0 "[ . 1]" 1
1146 2 11 G H3' 2 11 G H4' 1.800 . 3.900 2.994 2.989 2.998 . 0 0 "[ . 1]" 1
1147 2 11 G H3' 2 11 G H5' 1.800 . 4.000 3.667 3.651 3.691 . 0 0 "[ . 1]" 1
1148 2 11 G H3' 2 11 G H5'' 1.800 . 5.000 2.462 2.408 2.634 . 0 0 "[ . 1]" 1
1149 2 11 G H3' 2 11 G H8 1.800 . 3.800 3.760 3.703 3.815 0.015 8 0 "[ . 1]" 1
1150 2 11 G H3' 2 11 G HO2' 1.800 . 3.400 3.458 3.046 3.828 0.428 7 0 "[ . 1]" 1
1151 2 11 G H3' 2 12 A H1' 1.800 . 7.800 5.338 5.307 5.481 . 0 0 "[ . 1]" 1
1152 2 11 G H3' 2 12 A H4' 1.800 . 4.900 5.294 5.081 5.364 0.464 3 0 "[ . 1]" 1
1153 2 11 G H3' 2 12 A H5' 1.800 . 6.300 5.245 4.065 5.981 . 0 0 "[ . 1]" 1
1154 2 11 G H3' 2 12 A H8 1.800 . 4.800 4.528 4.486 4.618 . 0 0 "[ . 1]" 1
1155 2 11 G H3' 2 12 A HO2' 1.800 . 7.100 7.661 6.947 8.327 1.227 4 5 "[* +. ** -]" 1
1156 2 11 G H3' 4 2 GLN QB 1.800 . 9.600 8.792 8.744 8.878 . 0 0 "[ . 1]" 1
1157 2 11 G H3' 4 3 TRP HH2 1.800 . 7.900 5.016 4.883 5.139 . 0 0 "[ . 1]" 1
1158 2 11 G H3' 4 3 TRP HZ2 1.800 . 7.600 6.050 5.962 6.168 . 0 0 "[ . 1]" 1
1159 2 11 G H4' 2 11 G H5' 1.800 . 3.600 2.269 2.250 2.351 . 0 0 "[ . 1]" 1
1160 2 11 G H4' 2 11 G H5'' 1.800 . 3.600 2.691 2.576 2.730 . 0 0 "[ . 1]" 1
1161 2 11 G H4' 2 11 G H8 1.800 . 5.800 4.662 4.571 4.701 . 0 0 "[ . 1]" 1
1162 2 11 G H4' 2 11 G HO2' 1.800 . 4.800 4.265 3.875 4.412 . 0 0 "[ . 1]" 1
1163 2 11 G H4' 2 12 A H1' 1.800 . 7.300 4.306 4.267 4.493 . 0 0 "[ . 1]" 1
1164 2 11 G H4' 2 12 A H2 1.800 . 8.400 8.681 8.620 8.795 0.395 5 0 "[ . 1]" 1
1165 2 11 G H4' 2 12 A H5'' 1.800 . 4.800 3.713 3.531 4.049 . 0 0 "[ . 1]" 1
1166 2 11 G H4' 2 12 A H8 1.800 . 5.000 4.448 4.295 4.816 . 0 0 "[ . 1]" 1
1167 2 11 G H4' 2 12 A HO2' 1.800 . 6.100 5.910 5.124 6.601 0.501 10 1 "[ . +]" 1
1168 2 11 G H4' 4 3 TRP HH2 1.800 . 7.900 6.827 6.744 6.893 . 0 0 "[ . 1]" 1
1169 2 11 G H4' 4 3 TRP HZ2 1.800 . 7.800 6.964 6.917 7.040 . 0 0 "[ . 1]" 1
1170 2 11 G H4' 4 8 LYS QE 1.800 . 7.300 5.774 5.625 5.865 . 0 0 "[ . 1]" 1
1171 2 11 G H5' 2 11 G H8 1.800 . 5.800 5.101 4.669 5.193 . 0 0 "[ . 1]" 1
1172 2 11 G H5' 2 12 A H1' 1.800 . 7.900 6.354 6.315 6.439 . 0 0 "[ . 1]" 1
1173 2 11 G H5'' 2 11 G H8 1.800 . 5.700 4.977 4.920 5.025 . 0 0 "[ . 1]" 1
1174 2 11 G H5'' 2 11 G HO2' 1.800 . 5.700 5.545 5.006 5.815 0.115 7 0 "[ . 1]" 1
1175 2 11 G H5'' 2 12 A H5'' 1.800 . 5.800 5.736 5.470 5.926 0.126 10 0 "[ . 1]" 1
1176 2 11 G H5'' 2 12 A H8 1.800 . 7.100 6.092 5.984 6.422 . 0 0 "[ . 1]" 1
1177 2 11 G H8 2 11 G HO2' 1.800 . 3.400 4.728 4.477 5.044 1.644 3 10 [**+***-***] 1
1178 2 11 G H8 2 12 A H1' 1.800 . 8.000 4.992 4.970 5.061 . 0 0 "[ . 1]" 1
1179 2 11 G H8 2 12 A H4' 1.800 . 6.300 6.007 5.934 6.147 . 0 0 "[ . 1]" 1
1180 2 11 G H8 2 12 A H8 1.800 . 6.200 6.460 6.404 6.486 0.286 4 0 "[ . 1]" 1
1181 2 11 G H8 4 2 GLN QG 1.800 . 7.500 5.989 5.935 6.023 . 0 0 "[ . 1]" 1
1182 2 11 G H8 4 3 TRP HD1 1.800 . 7.600 7.741 7.712 7.767 0.167 7 0 "[ . 1]" 1
1183 2 11 G H8 4 3 TRP HE3 1.800 . 8.100 6.034 5.973 6.097 . 0 0 "[ . 1]" 1
1184 2 11 G H8 4 3 TRP HH2 1.800 . 7.300 3.520 3.407 3.604 . 0 0 "[ . 1]" 1
1185 2 11 G H8 4 3 TRP HZ2 1.800 . 7.100 4.312 4.239 4.357 . 0 0 "[ . 1]" 1
1186 2 11 G H8 4 3 TRP HZ3 1.800 . 7.600 4.619 4.525 4.690 . 0 0 "[ . 1]" 1
1187 2 11 G H8 4 12 ASN QB 1.800 . 7.500 3.524 3.250 3.803 . 0 0 "[ . 1]" 1
1188 2 11 G HO2' 2 12 A H1' 1.800 . 5.900 3.217 2.559 3.746 . 0 0 "[ . 1]" 1
1189 2 11 G HO2' 2 12 A H5'' 1.800 . 6.400 5.110 4.295 5.771 . 0 0 "[ . 1]" 1
1190 2 11 G HO2' 2 12 A H8 1.800 . 3.700 2.103 1.776 2.383 0.024 5 0 "[ . 1]" 1
1191 2 12 A H1' 2 12 A H2 1.800 . 5.800 4.550 4.490 4.566 . 0 0 "[ . 1]" 1
1192 2 12 A H1' 2 12 A H4' 1.800 . 3.700 2.918 2.853 3.189 . 0 0 "[ . 1]" 1
1193 2 12 A H1' 2 12 A H5' 1.800 . 5.700 4.858 4.729 5.030 . 0 0 "[ . 1]" 1
1194 2 12 A H1' 2 12 A H8 1.800 . 3.500 3.586 3.574 3.652 0.152 5 0 "[ . 1]" 1
1195 2 12 A H1' 2 12 A HO2' 1.800 . 3.700 2.625 1.909 3.370 . 0 0 "[ . 1]" 1
1196 2 12 A H1' 4 3 TRP HH2 1.800 . 7.400 5.576 5.501 5.655 . 0 0 "[ . 1]" 1
1197 2 12 A H1' 4 3 TRP HZ2 1.800 . 7.400 4.267 4.213 4.326 . 0 0 "[ . 1]" 1
1198 2 12 A H1' 4 6 PRO QB 1.800 . 7.500 6.545 6.459 6.621 . 0 0 "[ . 1]" 1
1199 2 12 A H2 2 12 A H4' 1.800 . 7.200 7.351 7.294 7.581 0.381 5 0 "[ . 1]" 1
1200 2 12 A H2 2 12 A HO2' 1.800 . 6.100 5.143 4.688 5.710 . 0 0 "[ . 1]" 1
1201 2 12 A H2 4 2 GLN HA 1.800 . 6.400 4.371 4.349 4.385 . 0 0 "[ . 1]" 1
1202 2 12 A H2 4 2 GLN QG 1.800 . 7.900 2.321 2.294 2.350 . 0 0 "[ . 1]" 1
1203 2 12 A H2 4 3 TRP HA 1.800 . 7.900 7.846 7.826 7.864 . 0 0 "[ . 1]" 1
1204 2 12 A H2 4 3 TRP HD1 1.800 . 7.500 5.263 5.205 5.289 . 0 0 "[ . 1]" 1
1205 2 12 A H2 4 3 TRP HE3 1.800 . 7.600 7.806 7.786 7.827 0.227 7 0 "[ . 1]" 1
1206 2 12 A H2 4 3 TRP HZ2 1.800 . 6.300 3.849 3.820 3.884 . 0 0 "[ . 1]" 1
1207 2 12 A H2 4 3 TRP HZ3 1.800 . 7.900 7.787 7.756 7.813 . 0 0 "[ . 1]" 1
1208 2 12 A H2 4 4 ASN HA 1.800 . 9.600 9.506 9.483 9.543 . 0 0 "[ . 1]" 1
1209 2 12 A H2 4 4 ASN QB 1.800 . 9.400 8.461 8.435 8.486 . 0 0 "[ . 1]" 1
1210 2 12 A H2 4 5 LYS QB 1.800 . 7.400 5.566 5.509 5.663 . 0 0 "[ . 1]" 1
1211 2 12 A H2 4 6 PRO QD 1.800 . 7.700 4.204 4.152 4.281 . 0 0 "[ . 1]" 1
1212 2 12 A H2 4 6 PRO QG 1.800 . 6.500 3.282 3.196 3.382 . 0 0 "[ . 1]" 1
1213 2 12 A H2 4 8 LYS QG 1.800 . 8.400 7.370 7.281 7.468 . 0 0 "[ . 1]" 1
1214 2 12 A H3' 2 12 A H8 1.800 . 3.400 3.400 3.266 3.449 0.049 7 0 "[ . 1]" 1
1215 2 12 A H4' 2 12 A H8 1.800 . 4.000 4.162 4.043 4.190 0.190 9 0 "[ . 1]" 1
1216 2 12 A H4' 4 3 TRP HH2 1.800 . 7.700 7.680 7.568 7.771 0.071 5 0 "[ . 1]" 1
1217 2 12 A H4' 4 3 TRP HZ2 1.800 . 7.700 6.923 6.829 7.124 . 0 0 "[ . 1]" 1
1218 2 12 A H5' 2 12 A H8 1.800 . 4.500 4.440 3.747 4.663 0.163 4 0 "[ . 1]" 1
1219 2 12 A H8 2 12 A HO2' 1.800 . 3.400 5.268 5.023 5.540 2.140 1 10 [+-********] 1
1220 2 12 A H8 4 2 GLN QB 1.800 . 8.200 7.487 7.442 7.506 . 0 0 "[ . 1]" 1
1221 2 12 A H8 4 3 TRP HH2 1.800 . 7.400 6.201 6.130 6.251 . 0 0 "[ . 1]" 1
1222 2 12 A H8 4 3 TRP HZ3 1.800 . 8.600 8.586 8.518 8.635 0.035 8 0 "[ . 1]" 1
1223 2 12 A H8 4 6 PRO QG 1.800 . 7.400 4.315 4.205 4.419 . 0 0 "[ . 1]" 1
1224 2 12 A HO2' 4 3 TRP HH2 1.800 . 8.500 7.991 7.263 8.858 0.358 7 0 "[ . 1]" 1
1225 2 12 A HO2' 4 3 TRP HZ2 1.800 . 7.900 6.334 5.649 7.184 . 0 0 "[ . 1]" 1
1226 3 1 GLY QA 3 2 GLN HA 1.800 . 5.800 3.845 3.841 3.847 . 0 0 "[ . 1]" 1
1227 3 1 GLY QA 3 2 GLN QB 1.800 . 6.300 3.889 3.879 3.900 . 0 0 "[ . 1]" 1
1228 3 1 GLY QA 3 2 GLN QG 1.800 . 5.800 3.606 3.592 3.614 . 0 0 "[ . 1]" 1
1229 3 1 GLY QA 3 3 TRP HD1 1.800 . 6.000 5.740 5.728 5.752 . 0 0 "[ . 1]" 1
1230 3 1 GLY QA 3 3 TRP HE3 1.800 . 8.200 7.614 7.602 7.627 . 0 0 "[ . 1]" 1
1231 3 1 GLY QA 3 3 TRP HH2 1.800 . 8.300 7.464 7.410 7.494 . 0 0 "[ . 1]" 1
1232 3 1 GLY QA 3 3 TRP HZ2 1.800 . 7.500 6.212 6.178 6.233 . 0 0 "[ . 1]" 1
1233 3 1 GLY QA 3 3 TRP HZ3 1.800 . 9.000 8.122 8.086 8.145 . 0 0 "[ . 1]" 1
1234 3 2 GLN HA 3 2 GLN QG 1.800 . 3.500 3.339 3.325 3.346 . 0 0 "[ . 1]" 1
1235 3 2 GLN HA 3 3 TRP HA 1.800 . 5.100 4.606 4.599 4.615 . 0 0 "[ . 1]" 1
1236 3 2 GLN HA 3 3 TRP QB 1.800 . 6.400 5.144 5.122 5.162 . 0 0 "[ . 1]" 1
1237 3 2 GLN HA 3 3 TRP HD1 1.800 . 6.000 3.100 3.080 3.119 . 0 0 "[ . 1]" 1
1238 3 2 GLN HA 3 3 TRP HE3 1.800 . 6.800 7.196 7.190 7.206 0.406 9 0 "[ . 1]" 1
1239 3 2 GLN HA 3 8 LYS QE 1.800 . 9.800 8.814 8.684 8.934 . 0 0 "[ . 1]" 1
1240 3 2 GLN QB 3 2 GLN QG 1.800 . 3.300 1.953 1.950 1.957 . 0 0 "[ . 1]" 1
1241 3 2 GLN QB 3 3 TRP HA 1.800 . 6.000 4.638 4.622 4.648 . 0 0 "[ . 1]" 1
1242 3 2 GLN QB 3 3 TRP QB 1.800 . 7.100 4.260 4.251 4.264 . 0 0 "[ . 1]" 1
1243 3 2 GLN QB 3 3 TRP HD1 1.800 . 4.900 2.026 2.012 2.032 . 0 0 "[ . 1]" 1
1244 3 2 GLN QB 3 3 TRP HE3 1.800 . 6.000 5.416 5.405 5.422 . 0 0 "[ . 1]" 1
1245 3 2 GLN QB 3 3 TRP HH2 1.800 . 6.300 5.401 5.381 5.424 . 0 0 "[ . 1]" 1
1246 3 2 GLN QB 3 3 TRP HZ2 1.800 . 6.400 3.549 3.537 3.571 . 0 0 "[ . 1]" 1
1247 3 2 GLN QB 3 3 TRP HZ3 1.800 . 6.800 6.192 6.180 6.208 . 0 0 "[ . 1]" 1
1248 3 2 GLN QB 3 4 ASN HA 1.800 . 7.900 6.979 6.960 6.993 . 0 0 "[ . 1]" 1
1249 3 2 GLN QB 3 5 LYS QE 1.800 . 6.400 3.886 3.847 3.928 . 0 0 "[ . 1]" 1
1250 3 2 GLN QB 3 5 LYS QG 1.800 . 6.200 3.238 3.227 3.249 . 0 0 "[ . 1]" 1
1251 3 2 GLN QB 3 6 PRO HA 1.800 . 7.700 6.689 6.674 6.705 . 0 0 "[ . 1]" 1
1252 3 2 GLN QG 3 3 TRP HA 1.800 . 5.800 4.638 4.633 4.646 . 0 0 "[ . 1]" 1
1253 3 2 GLN QG 3 3 TRP QB 1.800 . 7.100 4.171 4.168 4.178 . 0 0 "[ . 1]" 1
1254 3 2 GLN QG 3 3 TRP HD1 1.800 . 5.000 3.107 3.100 3.111 . 0 0 "[ . 1]" 1
1255 3 2 GLN QG 3 3 TRP HE3 1.800 . 6.100 4.467 4.459 4.474 . 0 0 "[ . 1]" 1
1256 3 2 GLN QG 3 3 TRP HH2 1.800 . 6.400 3.890 3.857 3.905 . 0 0 "[ . 1]" 1
1257 3 2 GLN QG 3 3 TRP HZ2 1.800 . 6.200 2.099 2.075 2.111 . 0 0 "[ . 1]" 1
1258 3 2 GLN QG 3 3 TRP HZ3 1.800 . 6.400 4.818 4.801 4.828 . 0 0 "[ . 1]" 1
1259 3 2 GLN QG 3 4 ASN HA 1.800 . 6.500 5.557 5.547 5.567 . 0 0 "[ . 1]" 1
1260 3 2 GLN QG 3 5 LYS QB 1.800 . 7.800 3.214 3.183 3.230 . 0 0 "[ . 1]" 1
1261 3 2 GLN QG 3 5 LYS QD 1.800 . 6.300 3.825 3.801 3.850 . 0 0 "[ . 1]" 1
1262 3 2 GLN QG 3 5 LYS QE 1.800 . 7.500 3.696 3.667 3.730 . 0 0 "[ . 1]" 1
1263 3 2 GLN QG 3 5 LYS QG 1.800 . 7.200 1.954 1.928 1.989 . 0 0 "[ . 1]" 1
1264 3 2 GLN QG 3 6 PRO QB 1.800 . 6.300 4.101 4.072 4.132 . 0 0 "[ . 1]" 1
1265 3 3 TRP HA 3 3 TRP HD1 1.800 . 3.600 3.115 3.093 3.132 . 0 0 "[ . 1]" 1
1266 3 3 TRP HA 3 3 TRP HE3 1.800 . 4.600 4.791 4.784 4.805 0.205 10 0 "[ . 1]" 1
1267 3 3 TRP HA 3 3 TRP HH2 1.800 . 7.700 7.822 7.817 7.828 0.128 10 0 "[ . 1]" 1
1268 3 3 TRP HA 3 3 TRP HZ2 1.800 . 7.200 7.022 7.015 7.028 . 0 0 "[ . 1]" 1
1269 3 3 TRP HA 3 3 TRP HZ3 1.800 . 6.700 6.969 6.961 6.986 0.286 10 0 "[ . 1]" 1
1270 3 3 TRP HA 3 5 LYS QG 1.800 . 6.100 3.784 3.763 3.800 . 0 0 "[ . 1]" 1
1271 3 3 TRP HA 3 6 PRO QD 1.800 . 7.600 6.022 6.003 6.038 . 0 0 "[ . 1]" 1
1272 3 3 TRP QB 3 3 TRP HD1 1.800 . 3.600 2.686 2.680 2.689 . 0 0 "[ . 1]" 1
1273 3 3 TRP QB 3 3 TRP HE3 1.800 . 3.700 2.184 2.177 2.194 . 0 0 "[ . 1]" 1
1274 3 3 TRP QB 3 4 ASN QB 1.800 . 7.700 2.026 2.014 2.031 . 0 0 "[ . 1]" 1
1275 3 3 TRP QB 3 5 LYS QG 1.800 . 7.700 4.137 4.123 4.150 . 0 0 "[ . 1]" 1
1276 3 3 TRP HD1 3 4 ASN QB 1.800 . 6.000 5.293 5.286 5.298 . 0 0 "[ . 1]" 1
1277 3 3 TRP HD1 3 5 LYS QB 1.800 . 6.600 5.699 5.670 5.714 . 0 0 "[ . 1]" 1
1278 3 3 TRP HD1 3 5 LYS QD 1.800 . 7.400 4.759 4.728 4.790 . 0 0 "[ . 1]" 1
1279 3 3 TRP HD1 3 5 LYS QE 1.800 . 6.200 3.689 3.676 3.702 . 0 0 "[ . 1]" 1
1280 3 3 TRP HD1 3 5 LYS QG 1.800 . 5.100 3.686 3.665 3.695 . 0 0 "[ . 1]" 1
1281 3 3 TRP HD1 3 6 PRO QD 1.800 . 7.200 4.841 4.822 4.856 . 0 0 "[ . 1]" 1
1282 3 3 TRP HD1 3 6 PRO QG 1.800 . 7.000 5.919 5.907 5.940 . 0 0 "[ . 1]" 1
1283 3 3 TRP HD1 3 7 SER QB 1.800 . 9.000 7.842 7.804 7.869 . 0 0 "[ . 1]" 1
1284 3 3 TRP HD1 3 8 LYS HA 1.800 . 9.700 9.490 9.452 9.530 . 0 0 "[ . 1]" 1
1285 3 3 TRP HD1 3 8 LYS QE 1.800 . 8.100 7.422 7.353 7.459 . 0 0 "[ . 1]" 1
1286 3 3 TRP HE3 3 4 ASN HA 1.800 . 5.000 4.344 4.339 4.356 . 0 0 "[ . 1]" 1
1287 3 3 TRP HE3 3 4 ASN QB 1.800 . 6.100 1.973 1.961 1.996 . 0 0 "[ . 1]" 1
1288 3 3 TRP HE3 3 5 LYS QB 1.800 . 6.500 5.937 5.927 5.947 . 0 0 "[ . 1]" 1
1289 3 3 TRP HE3 3 5 LYS QD 1.800 . 7.600 5.018 5.009 5.023 . 0 0 "[ . 1]" 1
1290 3 3 TRP HE3 3 5 LYS QG 1.800 . 6.200 5.032 5.023 5.041 . 0 0 "[ . 1]" 1
1291 3 3 TRP HE3 3 6 PRO QB 1.800 . 8.000 7.364 7.316 7.396 . 0 0 "[ . 1]" 1
1292 3 3 TRP HE3 3 6 PRO QD 1.800 . 7.200 4.276 4.226 4.308 . 0 0 "[ . 1]" 1
1293 3 3 TRP HE3 3 7 SER QB 1.800 . 7.500 5.784 5.763 5.847 . 0 0 "[ . 1]" 1
1294 3 3 TRP HE3 3 8 LYS HA 1.800 . 7.400 5.750 5.672 5.839 . 0 0 "[ . 1]" 1
1295 3 3 TRP HE3 3 8 LYS QE 1.800 . 7.800 4.820 4.370 5.068 . 0 0 "[ . 1]" 1
1296 3 3 TRP HH2 3 4 ASN QB 1.800 . 7.300 5.396 5.374 5.444 . 0 0 "[ . 1]" 1
1297 3 3 TRP HH2 3 5 LYS HA 1.800 . 6.000 4.459 4.449 4.467 . 0 0 "[ . 1]" 1
1298 3 3 TRP HH2 3 5 LYS QB 1.800 . 6.500 6.106 6.099 6.119 . 0 0 "[ . 1]" 1
1299 3 3 TRP HH2 3 5 LYS QD 1.800 . 7.400 6.881 6.869 6.888 . 0 0 "[ . 1]" 1
1300 3 3 TRP HH2 3 5 LYS QE 1.800 . 7.900 7.476 7.471 7.482 . 0 0 "[ . 1]" 1
1301 3 3 TRP HH2 3 5 LYS QG 1.800 . 6.700 5.852 5.833 5.869 . 0 0 "[ . 1]" 1
1302 3 3 TRP HH2 3 6 PRO HA 1.800 . 7.300 4.022 3.958 4.071 . 0 0 "[ . 1]" 1
1303 3 3 TRP HH2 3 6 PRO QD 1.800 . 6.000 2.208 2.166 2.251 . 0 0 "[ . 1]" 1
1304 3 3 TRP HH2 3 6 PRO QG 1.800 . 7.500 3.544 3.425 3.628 . 0 0 "[ . 1]" 1
1305 3 3 TRP HH2 3 7 SER QB 1.800 . 7.500 6.142 6.119 6.183 . 0 0 "[ . 1]" 1
1306 3 3 TRP HH2 3 8 LYS HA 1.800 . 6.400 4.548 4.490 4.657 . 0 0 "[ . 1]" 1
1307 3 3 TRP HZ2 3 4 ASN HA 1.800 . 7.900 7.534 7.520 7.541 . 0 0 "[ . 1]" 1
1308 3 3 TRP HZ2 3 4 ASN QB 1.800 . 7.400 6.040 6.031 6.063 . 0 0 "[ . 1]" 1
1309 3 3 TRP HZ2 3 5 LYS HA 1.800 . 5.800 3.926 3.903 3.939 . 0 0 "[ . 1]" 1
1310 3 3 TRP HZ2 3 5 LYS QB 1.800 . 6.100 5.538 5.510 5.555 . 0 0 "[ . 1]" 1
1311 3 3 TRP HZ2 3 5 LYS QD 1.800 . 7.400 6.428 6.416 6.440 . 0 0 "[ . 1]" 1
1312 3 3 TRP HZ2 3 5 LYS QE 1.800 . 7.000 6.486 6.466 6.505 . 0 0 "[ . 1]" 1
1313 3 3 TRP HZ2 3 5 LYS QG 1.800 . 5.800 4.874 4.853 4.896 . 0 0 "[ . 1]" 1
1314 3 3 TRP HZ2 3 6 PRO HA 1.800 . 7.500 4.786 4.771 4.805 . 0 0 "[ . 1]" 1
1315 3 3 TRP HZ2 3 6 PRO QB 1.800 . 6.300 4.844 4.800 4.891 . 0 0 "[ . 1]" 1
1316 3 3 TRP HZ2 3 6 PRO QD 1.800 . 5.200 2.394 2.379 2.413 . 0 0 "[ . 1]" 1
1317 3 3 TRP HZ2 3 7 SER QB 1.800 . 7.600 6.846 6.835 6.860 . 0 0 "[ . 1]" 1
1318 3 3 TRP HZ2 3 8 LYS HA 1.800 . 6.200 6.576 6.541 6.649 0.449 10 0 "[ . 1]" 1
1319 3 3 TRP HZ2 3 8 LYS QE 1.800 . 7.700 3.784 3.570 4.056 . 0 0 "[ . 1]" 1
1320 3 3 TRP HZ3 3 4 ASN HA 1.800 . 6.300 5.599 5.586 5.634 . 0 0 "[ . 1]" 1
1321 3 3 TRP HZ3 3 4 ASN QB 1.800 . 7.200 3.619 3.597 3.664 . 0 0 "[ . 1]" 1
1322 3 3 TRP HZ3 3 5 LYS HA 1.800 . 6.100 4.768 4.754 4.784 . 0 0 "[ . 1]" 1
1323 3 3 TRP HZ3 3 5 LYS QB 1.800 . 6.600 6.290 6.280 6.298 . 0 0 "[ . 1]" 1
1324 3 3 TRP HZ3 3 5 LYS QG 1.800 . 6.900 5.953 5.944 5.971 . 0 0 "[ . 1]" 1
1325 3 3 TRP HZ3 3 6 PRO HA 1.800 . 8.000 5.195 5.093 5.275 . 0 0 "[ . 1]" 1
1326 3 3 TRP HZ3 3 6 PRO QD 1.800 . 6.300 3.446 3.374 3.492 . 0 0 "[ . 1]" 1
1327 3 3 TRP HZ3 3 6 PRO QG 1.800 . 7.000 5.305 5.214 5.364 . 0 0 "[ . 1]" 1
1328 3 3 TRP HZ3 3 7 SER QB 1.800 . 7.500 5.527 5.499 5.579 . 0 0 "[ . 1]" 1
1329 3 3 TRP HZ3 3 8 LYS HA 1.800 . 7.200 3.845 3.768 3.917 . 0 0 "[ . 1]" 1
1330 3 4 ASN HA 3 5 LYS HA 1.800 . 5.800 4.591 4.587 4.604 . 0 0 "[ . 1]" 1
1331 3 4 ASN HA 3 5 LYS QB 1.800 . 6.100 4.101 4.082 4.124 . 0 0 "[ . 1]" 1
1332 3 4 ASN HA 3 5 LYS QD 1.800 . 7.200 2.798 2.734 2.854 . 0 0 "[ . 1]" 1
1333 3 4 ASN HA 3 5 LYS QE 1.800 . 6.400 4.448 4.356 4.527 . 0 0 "[ . 1]" 1
1334 3 4 ASN HA 3 5 LYS QG 1.800 . 5.800 4.430 4.396 4.457 . 0 0 "[ . 1]" 1
1335 3 4 ASN HA 3 6 PRO QD 1.800 . 6.600 5.405 5.379 5.419 . 0 0 "[ . 1]" 1
1336 3 4 ASN HA 3 6 PRO QG 1.800 . 8.700 7.161 7.148 7.188 . 0 0 "[ . 1]" 1
1337 3 4 ASN QB 3 5 LYS HA 1.800 . 7.200 4.619 4.608 4.634 . 0 0 "[ . 1]" 1
1338 3 4 ASN QB 3 5 LYS QG 1.800 . 7.200 4.758 4.735 4.771 . 0 0 "[ . 1]" 1
1339 3 4 ASN QB 3 6 PRO QD 1.800 . 7.400 4.791 4.768 4.808 . 0 0 "[ . 1]" 1
1340 3 4 ASN QB 3 7 SER QB 1.800 . 7.600 4.186 4.153 4.256 . 0 0 "[ . 1]" 1
1341 3 5 LYS HA 3 5 LYS QD 1.800 . 3.800 3.299 3.292 3.308 . 0 0 "[ . 1]" 1
1342 3 5 LYS HA 3 5 LYS QG 1.800 . 3.600 2.055 2.047 2.069 . 0 0 "[ . 1]" 1
1343 3 5 LYS HA 3 6 PRO HA 1.800 . 5.200 4.196 4.185 4.205 . 0 0 "[ . 1]" 1
1344 3 5 LYS HA 3 6 PRO QB 1.800 . 6.100 3.865 3.851 3.876 . 0 0 "[ . 1]" 1
1345 3 5 LYS HA 3 6 PRO QD 1.800 . 3.300 1.531 1.522 1.541 0.278 3 0 "[ . 1]" 1
1346 3 5 LYS HA 3 6 PRO QG 1.800 . 4.700 3.123 3.107 3.144 . 0 0 "[ . 1]" 1
1347 3 5 LYS QB 3 5 LYS QE 1.800 . 5.000 3.491 3.485 3.494 . 0 0 "[ . 1]" 1
1348 3 5 LYS QB 3 5 LYS QG 1.800 . 3.500 1.950 1.947 1.952 . 0 0 "[ . 1]" 1
1349 3 5 LYS QB 3 6 PRO HA 1.800 . 7.100 4.734 4.720 4.750 . 0 0 "[ . 1]" 1
1350 3 5 LYS QB 3 6 PRO QB 1.800 . 8.200 3.311 3.295 3.342 . 0 0 "[ . 1]" 1
1351 3 5 LYS QB 3 6 PRO QD 1.800 . 4.700 3.196 3.177 3.211 . 0 0 "[ . 1]" 1
1352 3 5 LYS QB 3 7 SER HA 1.800 . 7.000 5.065 5.039 5.095 . 0 0 "[ . 1]" 1
1353 3 5 LYS QB 3 7 SER QB 1.800 . 6.200 3.077 3.041 3.097 . 0 0 "[ . 1]" 1
1354 3 5 LYS QD 3 5 LYS QE 1.800 . 3.600 2.053 2.051 2.056 . 0 0 "[ . 1]" 1
1355 3 5 LYS QD 3 5 LYS QG 1.800 . 3.500 2.037 2.036 2.038 . 0 0 "[ . 1]" 1
1356 3 5 LYS QE 3 5 LYS QG 1.800 . 3.500 1.939 1.931 1.943 . 0 0 "[ . 1]" 1
1357 3 5 LYS QE 3 6 PRO HA 1.800 . 8.600 7.826 7.820 7.832 . 0 0 "[ . 1]" 1
1358 3 5 LYS QE 3 6 PRO QD 1.800 . 6.400 5.034 5.021 5.056 . 0 0 "[ . 1]" 1
1359 3 5 LYS QG 3 6 PRO HA 1.800 . 7.100 5.798 5.775 5.820 . 0 0 "[ . 1]" 1
1360 3 5 LYS QG 3 6 PRO QD 1.800 . 4.800 3.133 3.104 3.169 . 0 0 "[ . 1]" 1
1361 3 5 LYS QG 3 6 PRO QG 1.800 . 6.200 4.011 3.958 4.077 . 0 0 "[ . 1]" 1
1362 3 5 LYS QG 3 7 SER HA 1.800 . 7.500 6.889 6.871 6.910 . 0 0 "[ . 1]" 1
1363 3 5 LYS QG 3 7 SER QB 1.800 . 7.200 4.651 4.615 4.669 . 0 0 "[ . 1]" 1
1364 3 6 PRO HA 3 6 PRO QD 1.800 . 4.800 2.166 2.149 2.185 . 0 0 "[ . 1]" 1
1365 3 6 PRO HA 3 8 LYS QE 1.800 . 7.500 3.485 3.259 3.852 . 0 0 "[ . 1]" 1
1366 3 6 PRO QB 3 7 SER HA 1.800 . 5.800 4.853 4.845 4.860 . 0 0 "[ . 1]" 1
1367 3 6 PRO QB 3 7 SER QB 1.800 . 6.000 4.787 4.781 4.791 . 0 0 "[ . 1]" 1
1368 3 6 PRO QB 3 8 LYS QE 1.800 . 8.000 4.810 4.488 5.255 . 0 0 "[ . 1]" 1
1369 3 6 PRO QD 3 6 PRO QG 1.800 . 3.500 1.948 1.946 1.950 . 0 0 "[ . 1]" 1
1370 3 6 PRO QD 3 7 SER HA 1.800 . 7.300 5.384 5.377 5.391 . 0 0 "[ . 1]" 1
1371 3 7 SER HA 3 8 LYS QD 1.800 . 6.400 5.994 5.966 6.018 . 0 0 "[ . 1]" 1
1372 3 7 SER HA 3 8 LYS QE 1.800 . 6.700 6.055 6.021 6.111 . 0 0 "[ . 1]" 1
1373 3 7 SER HA 3 8 LYS QG 1.800 . 6.200 4.007 3.985 4.037 . 0 0 "[ . 1]" 1
1374 3 7 SER HA 3 9 PRO QD 1.800 . 7.200 4.404 4.373 4.447 . 0 0 "[ . 1]" 1
1375 3 7 SER QB 3 8 LYS QG 1.800 . 6.200 4.284 4.232 4.447 . 0 0 "[ . 1]" 1
1376 3 8 LYS HA 3 8 LYS QE 1.800 . 6.100 2.333 1.990 2.575 . 0 0 "[ . 1]" 1
1377 3 8 LYS HA 3 8 LYS QG 1.800 . 3.800 2.453 2.362 2.752 . 0 0 "[ . 1]" 1
1378 3 8 LYS HA 3 9 PRO QB 1.800 . 6.400 4.706 4.674 4.719 . 0 0 "[ . 1]" 1
1379 3 8 LYS HA 3 9 PRO QD 1.800 . 3.200 1.895 1.876 1.914 . 0 0 "[ . 1]" 1
1380 3 8 LYS HA 3 9 PRO QG 1.800 . 5.900 3.812 3.797 3.825 . 0 0 "[ . 1]" 1
1381 3 8 LYS QB 3 8 LYS QE 1.800 . 6.000 2.395 2.161 2.509 . 0 0 "[ . 1]" 1
1382 3 8 LYS QB 3 8 LYS QG 1.800 . 4.800 2.057 2.035 2.064 . 0 0 "[ . 1]" 1
1383 3 8 LYS QB 3 9 PRO QD 1.800 . 4.900 3.527 3.463 3.558 . 0 0 "[ . 1]" 1
1384 3 8 LYS QB 3 11 THR HB 1.800 . 7.300 2.386 2.144 3.041 . 0 0 "[ . 1]" 1
1385 3 8 LYS QD 3 8 LYS QG 1.800 . 3.600 2.015 1.998 2.026 . 0 0 "[ . 1]" 1
1386 3 8 LYS QE 3 8 LYS QG 1.800 . 4.000 2.255 2.070 2.849 . 0 0 "[ . 1]" 1
1387 3 8 LYS QE 3 9 PRO QD 1.800 . 6.400 3.540 3.113 3.788 . 0 0 "[ . 1]" 1
1388 3 8 LYS QG 3 9 PRO QD 1.800 . 5.800 3.680 3.606 3.934 . 0 0 "[ . 1]" 1
1389 3 8 LYS QG 3 9 PRO QG 1.800 . 8.100 5.361 5.277 5.543 . 0 0 "[ . 1]" 1
1390 3 8 LYS QG 3 11 THR HB 1.800 . 7.500 4.404 4.100 5.127 . 0 0 "[ . 1]" 1
1391 3 9 PRO HA 3 9 PRO QD 1.800 . 5.000 3.517 3.503 3.538 . 0 0 "[ . 1]" 1
1392 3 9 PRO QB 3 10 LYS QE 1.800 . 7.400 2.566 2.119 4.393 . 0 0 "[ . 1]" 1
1393 3 9 PRO QB 3 11 THR HB 1.800 . 8.100 6.924 6.838 7.107 . 0 0 "[ . 1]" 1
1394 3 9 PRO QB 3 11 THR MG 1.800 . 6.000 4.248 4.165 4.372 . 0 0 "[ . 1]" 1
1395 3 9 PRO QD 3 9 PRO QG 1.800 . 3.700 1.972 1.948 1.982 . 0 0 "[ . 1]" 1
1396 3 9 PRO QD 3 10 LYS HA 1.800 . 5.200 4.659 4.505 4.759 . 0 0 "[ . 1]" 1
1397 3 9 PRO QD 3 11 THR HA 1.800 . 5.800 3.291 3.152 3.587 . 0 0 "[ . 1]" 1
1398 3 9 PRO QG 3 11 THR MG 1.800 . 6.300 4.646 4.574 4.687 . 0 0 "[ . 1]" 1
1399 3 10 LYS HA 3 10 LYS QE 1.800 . 6.200 3.330 2.632 4.790 . 0 0 "[ . 1]" 1
1400 3 10 LYS HA 3 10 LYS QG 1.800 . 6.200 3.425 3.265 3.488 . 0 0 "[ . 1]" 1
1401 3 10 LYS QB 3 10 LYS QE 1.800 . 7.200 2.231 1.865 3.481 . 0 0 "[ . 1]" 1
1402 3 10 LYS QB 3 10 LYS QG 1.800 . 4.800 2.026 2.006 2.052 . 0 0 "[ . 1]" 1
1403 3 10 LYS QB 3 11 THR MG 1.800 . 6.100 4.344 4.035 4.484 . 0 0 "[ . 1]" 1
1404 3 10 LYS QB 3 12 ASN HA 1.800 . 7.500 3.579 3.011 4.308 . 0 0 "[ . 1]" 1
1405 3 10 LYS QD 3 10 LYS QG 1.800 . 3.700 1.974 1.925 2.059 . 0 0 "[ . 1]" 1
1406 3 10 LYS QD 3 11 THR HA 1.800 . 5.100 4.148 2.988 4.588 . 0 0 "[ . 1]" 1
1407 3 10 LYS QE 3 10 LYS QG 1.800 . 6.000 2.501 1.996 2.875 . 0 0 "[ . 1]" 1
1408 3 10 LYS QE 3 11 THR HB 1.800 . 7.900 6.567 4.716 7.232 . 0 0 "[ . 1]" 1
1409 3 10 LYS QG 3 11 THR HB 1.800 . 7.700 5.553 5.175 6.095 . 0 0 "[ . 1]" 1
1410 3 11 THR HA 3 11 THR MG 1.800 . 3.900 2.429 2.332 2.489 . 0 0 "[ . 1]" 1
1411 4 1 GLY QA 4 2 GLN HA 1.800 . 5.800 3.845 3.842 3.847 . 0 0 "[ . 1]" 1
1412 4 1 GLY QA 4 2 GLN QB 1.800 . 6.300 3.888 3.880 3.898 . 0 0 "[ . 1]" 1
1413 4 1 GLY QA 4 2 GLN QG 1.800 . 5.800 3.605 3.595 3.612 . 0 0 "[ . 1]" 1
1414 4 1 GLY QA 4 3 TRP HD1 1.800 . 6.000 5.739 5.731 5.748 . 0 0 "[ . 1]" 1
1415 4 1 GLY QA 4 3 TRP HE3 1.800 . 8.200 7.616 7.600 7.626 . 0 0 "[ . 1]" 1
1416 4 1 GLY QA 4 3 TRP HH2 1.800 . 8.300 7.475 7.438 7.494 . 0 0 "[ . 1]" 1
1417 4 1 GLY QA 4 3 TRP HZ2 1.800 . 7.500 6.218 6.192 6.230 . 0 0 "[ . 1]" 1
1418 4 1 GLY QA 4 3 TRP HZ3 1.800 . 9.000 8.127 8.102 8.142 . 0 0 "[ . 1]" 1
1419 4 2 GLN HA 4 2 GLN QG 1.800 . 3.500 3.339 3.333 3.343 . 0 0 "[ . 1]" 1
1420 4 2 GLN HA 4 3 TRP HA 1.800 . 5.100 4.607 4.599 4.612 . 0 0 "[ . 1]" 1
1421 4 2 GLN HA 4 3 TRP QB 1.800 . 6.400 5.144 5.123 5.163 . 0 0 "[ . 1]" 1
1422 4 2 GLN HA 4 3 TRP HD1 1.800 . 6.000 3.100 3.083 3.116 . 0 0 "[ . 1]" 1
1423 4 2 GLN HA 4 3 TRP HE3 1.800 . 6.800 7.196 7.189 7.202 0.402 3 0 "[ . 1]" 1
1424 4 2 GLN HA 4 8 LYS QE 1.800 . 9.800 8.722 8.535 8.860 . 0 0 "[ . 1]" 1
1425 4 2 GLN QB 4 2 GLN QG 1.800 . 3.300 1.953 1.951 1.958 . 0 0 "[ . 1]" 1
1426 4 2 GLN QB 4 3 TRP HA 1.800 . 6.000 4.640 4.622 4.650 . 0 0 "[ . 1]" 1
1427 4 2 GLN QB 4 3 TRP QB 1.800 . 7.100 4.261 4.250 4.268 . 0 0 "[ . 1]" 1
1428 4 2 GLN QB 4 3 TRP HD1 1.800 . 4.900 2.028 2.013 2.038 . 0 0 "[ . 1]" 1
1429 4 2 GLN QB 4 3 TRP HE3 1.800 . 6.000 5.416 5.406 5.421 . 0 0 "[ . 1]" 1
1430 4 2 GLN QB 4 3 TRP HH2 1.800 . 6.300 5.407 5.393 5.426 . 0 0 "[ . 1]" 1
1431 4 2 GLN QB 4 3 TRP HZ2 1.800 . 6.400 3.553 3.541 3.573 . 0 0 "[ . 1]" 1
1432 4 2 GLN QB 4 3 TRP HZ3 1.800 . 6.800 6.194 6.183 6.208 . 0 0 "[ . 1]" 1
1433 4 2 GLN QB 4 4 ASN HA 1.800 . 7.900 6.983 6.959 6.994 . 0 0 "[ . 1]" 1
1434 4 2 GLN QB 4 5 LYS QE 1.800 . 6.400 3.882 3.853 3.922 . 0 0 "[ . 1]" 1
1435 4 2 GLN QB 4 5 LYS QG 1.800 . 6.200 3.236 3.228 3.246 . 0 0 "[ . 1]" 1
1436 4 2 GLN QB 4 6 PRO HA 1.800 . 7.700 6.685 6.662 6.704 . 0 0 "[ . 1]" 1
1437 4 2 GLN QG 4 3 TRP HA 1.800 . 5.800 4.636 4.629 4.644 . 0 0 "[ . 1]" 1
1438 4 2 GLN QG 4 3 TRP QB 1.800 . 7.100 4.170 4.166 4.178 . 0 0 "[ . 1]" 1
1439 4 2 GLN QG 4 3 TRP HD1 1.800 . 5.000 3.108 3.098 3.114 . 0 0 "[ . 1]" 1
1440 4 2 GLN QG 4 3 TRP HE3 1.800 . 6.100 4.468 4.464 4.475 . 0 0 "[ . 1]" 1
1441 4 2 GLN QG 4 3 TRP HH2 1.800 . 6.400 3.900 3.888 3.920 . 0 0 "[ . 1]" 1
1442 4 2 GLN QG 4 3 TRP HZ2 1.800 . 6.200 2.105 2.097 2.116 . 0 0 "[ . 1]" 1
1443 4 2 GLN QG 4 3 TRP HZ3 1.800 . 6.400 4.822 4.815 4.834 . 0 0 "[ . 1]" 1
1444 4 2 GLN QG 4 4 ASN HA 1.800 . 6.500 5.559 5.545 5.568 . 0 0 "[ . 1]" 1
1445 4 2 GLN QG 4 5 LYS QB 1.800 . 7.800 3.216 3.185 3.229 . 0 0 "[ . 1]" 1
1446 4 2 GLN QG 4 5 LYS QD 1.800 . 6.300 3.823 3.805 3.846 . 0 0 "[ . 1]" 1
1447 4 2 GLN QG 4 5 LYS QE 1.800 . 7.500 3.693 3.671 3.725 . 0 0 "[ . 1]" 1
1448 4 2 GLN QG 4 5 LYS QG 1.800 . 7.200 1.950 1.932 1.978 . 0 0 "[ . 1]" 1
1449 4 2 GLN QG 4 6 PRO QB 1.800 . 6.300 4.101 4.070 4.119 . 0 0 "[ . 1]" 1
1450 4 3 TRP HA 4 3 TRP HD1 1.800 . 3.600 3.116 3.105 3.130 . 0 0 "[ . 1]" 1
1451 4 3 TRP HA 4 3 TRP HE3 1.800 . 4.600 4.787 4.779 4.791 0.191 5 0 "[ . 1]" 1
1452 4 3 TRP HA 4 3 TRP HH2 1.800 . 7.700 7.820 7.815 7.827 0.127 9 0 "[ . 1]" 1
1453 4 3 TRP HA 4 3 TRP HZ2 1.800 . 7.200 7.023 7.019 7.027 . 0 0 "[ . 1]" 1
1454 4 3 TRP HA 4 3 TRP HZ3 1.800 . 6.700 6.964 6.954 6.973 0.273 9 0 "[ . 1]" 1
1455 4 3 TRP HA 4 5 LYS QG 1.800 . 6.100 3.782 3.764 3.799 . 0 0 "[ . 1]" 1
1456 4 3 TRP HA 4 6 PRO QD 1.800 . 7.600 6.022 6.015 6.030 . 0 0 "[ . 1]" 1
1457 4 3 TRP QB 4 3 TRP HD1 1.800 . 3.600 2.686 2.680 2.695 . 0 0 "[ . 1]" 1
1458 4 3 TRP QB 4 3 TRP HE3 1.800 . 3.700 2.179 2.174 2.188 . 0 0 "[ . 1]" 1
1459 4 3 TRP QB 4 4 ASN QB 1.800 . 7.700 2.029 2.017 2.038 . 0 0 "[ . 1]" 1
1460 4 3 TRP QB 4 5 LYS QG 1.800 . 7.700 4.135 4.126 4.149 . 0 0 "[ . 1]" 1
1461 4 3 TRP HD1 4 4 ASN QB 1.800 . 6.000 5.295 5.291 5.298 . 0 0 "[ . 1]" 1
1462 4 3 TRP HD1 4 5 LYS QB 1.800 . 6.600 5.700 5.677 5.716 . 0 0 "[ . 1]" 1
1463 4 3 TRP HD1 4 5 LYS QD 1.800 . 7.400 4.754 4.735 4.796 . 0 0 "[ . 1]" 1
1464 4 3 TRP HD1 4 5 LYS QE 1.800 . 6.200 3.686 3.675 3.703 . 0 0 "[ . 1]" 1
1465 4 3 TRP HD1 4 5 LYS QG 1.800 . 5.100 3.684 3.673 3.697 . 0 0 "[ . 1]" 1
1466 4 3 TRP HD1 4 6 PRO QD 1.800 . 7.200 4.845 4.832 4.855 . 0 0 "[ . 1]" 1
1467 4 3 TRP HD1 4 6 PRO QG 1.800 . 7.000 5.923 5.896 5.942 . 0 0 "[ . 1]" 1
1468 4 3 TRP HD1 4 7 SER QB 1.800 . 9.000 7.849 7.829 7.865 . 0 0 "[ . 1]" 1
1469 4 3 TRP HD1 4 8 LYS HA 1.800 . 9.700 9.512 9.467 9.616 . 0 0 "[ . 1]" 1
1470 4 3 TRP HD1 4 8 LYS QE 1.800 . 8.100 7.416 7.363 7.450 . 0 0 "[ . 1]" 1
1471 4 3 TRP HE3 4 4 ASN HA 1.800 . 5.000 4.344 4.336 4.354 . 0 0 "[ . 1]" 1
1472 4 3 TRP HE3 4 4 ASN QB 1.800 . 6.100 1.968 1.956 1.979 . 0 0 "[ . 1]" 1
1473 4 3 TRP HE3 4 5 LYS QB 1.800 . 6.500 5.937 5.929 5.951 . 0 0 "[ . 1]" 1
1474 4 3 TRP HE3 4 5 LYS QD 1.800 . 7.600 5.019 5.006 5.030 . 0 0 "[ . 1]" 1
1475 4 3 TRP HE3 4 5 LYS QG 1.800 . 6.200 5.030 5.024 5.035 . 0 0 "[ . 1]" 1
1476 4 3 TRP HE3 4 6 PRO QB 1.800 . 8.000 7.376 7.355 7.402 . 0 0 "[ . 1]" 1
1477 4 3 TRP HE3 4 6 PRO QD 1.800 . 7.200 4.289 4.261 4.306 . 0 0 "[ . 1]" 1
1478 4 3 TRP HE3 4 7 SER QB 1.800 . 7.500 5.788 5.740 5.837 . 0 0 "[ . 1]" 1
1479 4 3 TRP HE3 4 8 LYS HA 1.800 . 7.400 5.792 5.698 5.991 . 0 0 "[ . 1]" 1
1480 4 3 TRP HE3 4 8 LYS QE 1.800 . 7.800 4.957 4.777 5.154 . 0 0 "[ . 1]" 1
1481 4 3 TRP HH2 4 4 ASN QB 1.800 . 7.300 5.382 5.367 5.410 . 0 0 "[ . 1]" 1
1482 4 3 TRP HH2 4 5 LYS HA 1.800 . 6.000 4.467 4.451 4.489 . 0 0 "[ . 1]" 1
1483 4 3 TRP HH2 4 5 LYS QB 1.800 . 6.500 6.116 6.095 6.135 . 0 0 "[ . 1]" 1
1484 4 3 TRP HH2 4 5 LYS QD 1.800 . 7.400 6.886 6.873 6.899 . 0 0 "[ . 1]" 1
1485 4 3 TRP HH2 4 5 LYS QE 1.800 . 7.900 7.482 7.470 7.493 . 0 0 "[ . 1]" 1
1486 4 3 TRP HH2 4 5 LYS QG 1.800 . 6.700 5.855 5.837 5.870 . 0 0 "[ . 1]" 1
1487 4 3 TRP HH2 4 6 PRO HA 1.800 . 7.300 4.048 4.005 4.091 . 0 0 "[ . 1]" 1
1488 4 3 TRP HH2 4 6 PRO QD 1.800 . 6.000 2.229 2.193 2.269 . 0 0 "[ . 1]" 1
1489 4 3 TRP HH2 4 6 PRO QG 1.800 . 7.500 3.575 3.493 3.621 . 0 0 "[ . 1]" 1
1490 4 3 TRP HH2 4 7 SER QB 1.800 . 7.500 6.138 6.114 6.170 . 0 0 "[ . 1]" 1
1491 4 3 TRP HH2 4 8 LYS HA 1.800 . 6.400 4.528 4.474 4.593 . 0 0 "[ . 1]" 1
1492 4 3 TRP HZ2 4 4 ASN HA 1.800 . 7.900 7.535 7.521 7.544 . 0 0 "[ . 1]" 1
1493 4 3 TRP HZ2 4 4 ASN QB 1.800 . 7.400 6.034 6.022 6.055 . 0 0 "[ . 1]" 1
1494 4 3 TRP HZ2 4 5 LYS HA 1.800 . 5.800 3.931 3.908 3.950 . 0 0 "[ . 1]" 1
1495 4 3 TRP HZ2 4 5 LYS QB 1.800 . 6.100 5.545 5.514 5.561 . 0 0 "[ . 1]" 1
1496 4 3 TRP HZ2 4 5 LYS QD 1.800 . 7.400 6.431 6.416 6.440 . 0 0 "[ . 1]" 1
1497 4 3 TRP HZ2 4 5 LYS QE 1.800 . 7.000 6.488 6.469 6.502 . 0 0 "[ . 1]" 1
1498 4 3 TRP HZ2 4 5 LYS QG 1.800 . 5.800 4.875 4.855 4.892 . 0 0 "[ . 1]" 1
1499 4 3 TRP HZ2 4 6 PRO HA 1.800 . 7.500 4.793 4.771 4.814 . 0 0 "[ . 1]" 1
1500 4 3 TRP HZ2 4 6 PRO QB 1.800 . 6.300 4.857 4.809 4.895 . 0 0 "[ . 1]" 1
1501 4 3 TRP HZ2 4 6 PRO QD 1.800 . 5.200 2.401 2.381 2.424 . 0 0 "[ . 1]" 1
1502 4 3 TRP HZ2 4 7 SER QB 1.800 . 7.600 6.845 6.831 6.857 . 0 0 "[ . 1]" 1
1503 4 3 TRP HZ2 4 8 LYS HA 1.800 . 6.200 6.562 6.517 6.605 0.405 3 0 "[ . 1]" 1
1504 4 3 TRP HZ2 4 8 LYS QE 1.800 . 7.700 3.680 3.399 3.872 . 0 0 "[ . 1]" 1
1505 4 3 TRP HZ3 4 4 ASN HA 1.800 . 6.300 5.592 5.584 5.604 . 0 0 "[ . 1]" 1
1506 4 3 TRP HZ3 4 4 ASN QB 1.800 . 7.200 3.606 3.591 3.632 . 0 0 "[ . 1]" 1
1507 4 3 TRP HZ3 4 5 LYS HA 1.800 . 6.100 4.772 4.757 4.797 . 0 0 "[ . 1]" 1
1508 4 3 TRP HZ3 4 5 LYS QB 1.800 . 6.600 6.294 6.282 6.311 . 0 0 "[ . 1]" 1
1509 4 3 TRP HZ3 4 5 LYS QG 1.800 . 6.900 5.953 5.948 5.963 . 0 0 "[ . 1]" 1
1510 4 3 TRP HZ3 4 6 PRO HA 1.800 . 8.000 5.226 5.179 5.287 . 0 0 "[ . 1]" 1
1511 4 3 TRP HZ3 4 6 PRO QD 1.800 . 6.300 3.467 3.426 3.497 . 0 0 "[ . 1]" 1
1512 4 3 TRP HZ3 4 6 PRO QG 1.800 . 7.000 5.326 5.270 5.355 . 0 0 "[ . 1]" 1
1513 4 3 TRP HZ3 4 7 SER QB 1.800 . 7.500 5.526 5.483 5.588 . 0 0 "[ . 1]" 1
1514 4 3 TRP HZ3 4 8 LYS HA 1.800 . 7.200 3.873 3.799 4.055 . 0 0 "[ . 1]" 1
1515 4 4 ASN HA 4 5 LYS HA 1.800 . 5.800 4.590 4.586 4.603 . 0 0 "[ . 1]" 1
1516 4 4 ASN HA 4 5 LYS QB 1.800 . 6.100 4.099 4.087 4.120 . 0 0 "[ . 1]" 1
1517 4 4 ASN HA 4 5 LYS QD 1.800 . 7.200 2.812 2.734 2.846 . 0 0 "[ . 1]" 1
1518 4 4 ASN HA 4 5 LYS QE 1.800 . 6.400 4.468 4.357 4.514 . 0 0 "[ . 1]" 1
1519 4 4 ASN HA 4 5 LYS QG 1.800 . 5.800 4.435 4.398 4.454 . 0 0 "[ . 1]" 1
1520 4 4 ASN HA 4 6 PRO QD 1.800 . 6.600 5.407 5.392 5.419 . 0 0 "[ . 1]" 1
1521 4 4 ASN HA 4 6 PRO QG 1.800 . 8.700 7.164 7.157 7.174 . 0 0 "[ . 1]" 1
1522 4 4 ASN QB 4 5 LYS HA 1.800 . 7.200 4.616 4.605 4.631 . 0 0 "[ . 1]" 1
1523 4 4 ASN QB 4 5 LYS QG 1.800 . 7.200 4.757 4.740 4.768 . 0 0 "[ . 1]" 1
1524 4 4 ASN QB 4 6 PRO QD 1.800 . 7.400 4.793 4.769 4.815 . 0 0 "[ . 1]" 1
1525 4 4 ASN QB 4 7 SER QB 1.800 . 7.600 4.183 4.151 4.237 . 0 0 "[ . 1]" 1
1526 4 5 LYS HA 4 5 LYS QD 1.800 . 3.800 3.302 3.296 3.307 . 0 0 "[ . 1]" 1
1527 4 5 LYS HA 4 5 LYS QG 1.800 . 3.600 2.055 2.047 2.066 . 0 0 "[ . 1]" 1
1528 4 5 LYS HA 4 6 PRO HA 1.800 . 5.200 4.193 4.176 4.214 . 0 0 "[ . 1]" 1
1529 4 5 LYS HA 4 6 PRO QB 1.800 . 6.100 3.863 3.846 3.871 . 0 0 "[ . 1]" 1
1530 4 5 LYS HA 4 6 PRO QD 1.800 . 3.300 1.529 1.521 1.542 0.279 8 0 "[ . 1]" 1
1531 4 5 LYS HA 4 6 PRO QG 1.800 . 4.700 3.125 3.113 3.136 . 0 0 "[ . 1]" 1
1532 4 5 LYS QB 4 5 LYS QE 1.800 . 5.000 3.490 3.486 3.494 . 0 0 "[ . 1]" 1
1533 4 5 LYS QB 4 5 LYS QG 1.800 . 3.500 1.949 1.948 1.952 . 0 0 "[ . 1]" 1
1534 4 5 LYS QB 4 6 PRO HA 1.800 . 7.100 4.727 4.711 4.747 . 0 0 "[ . 1]" 1
1535 4 5 LYS QB 4 6 PRO QB 1.800 . 8.200 3.301 3.287 3.319 . 0 0 "[ . 1]" 1
1536 4 5 LYS QB 4 6 PRO QD 1.800 . 4.700 3.191 3.170 3.216 . 0 0 "[ . 1]" 1
1537 4 5 LYS QB 4 7 SER HA 1.800 . 7.000 5.068 5.033 5.099 . 0 0 "[ . 1]" 1
1538 4 5 LYS QB 4 7 SER QB 1.800 . 6.200 3.084 3.031 3.109 . 0 0 "[ . 1]" 1
1539 4 5 LYS QD 4 5 LYS QE 1.800 . 3.600 2.054 2.051 2.056 . 0 0 "[ . 1]" 1
1540 4 5 LYS QD 4 5 LYS QG 1.800 . 3.500 2.037 2.036 2.037 . 0 0 "[ . 1]" 1
1541 4 5 LYS QE 4 5 LYS QG 1.800 . 3.500 1.938 1.931 1.943 . 0 0 "[ . 1]" 1
1542 4 5 LYS QE 4 6 PRO HA 1.800 . 8.600 7.824 7.813 7.836 . 0 0 "[ . 1]" 1
1543 4 5 LYS QE 4 6 PRO QD 1.800 . 6.400 5.032 5.017 5.062 . 0 0 "[ . 1]" 1
1544 4 5 LYS QG 4 6 PRO HA 1.800 . 7.100 5.791 5.767 5.832 . 0 0 "[ . 1]" 1
1545 4 5 LYS QG 4 6 PRO QD 1.800 . 4.800 3.127 3.098 3.182 . 0 0 "[ . 1]" 1
1546 4 5 LYS QG 4 6 PRO QG 1.800 . 6.200 4.005 3.966 4.064 . 0 0 "[ . 1]" 1
1547 4 5 LYS QG 4 7 SER HA 1.800 . 7.500 6.891 6.871 6.914 . 0 0 "[ . 1]" 1
1548 4 5 LYS QG 4 7 SER QB 1.800 . 7.200 4.658 4.619 4.678 . 0 0 "[ . 1]" 1
1549 4 6 PRO HA 4 6 PRO QD 1.800 . 4.800 2.169 2.166 2.174 . 0 0 "[ . 1]" 1
1550 4 6 PRO HA 4 8 LYS QE 1.800 . 7.500 3.284 2.703 3.517 . 0 0 "[ . 1]" 1
1551 4 6 PRO QB 4 7 SER HA 1.800 . 5.800 4.852 4.845 4.860 . 0 0 "[ . 1]" 1
1552 4 6 PRO QB 4 7 SER QB 1.800 . 6.000 4.785 4.779 4.793 . 0 0 "[ . 1]" 1
1553 4 6 PRO QB 4 8 LYS QE 1.800 . 8.000 4.586 4.234 4.889 . 0 0 "[ . 1]" 1
1554 4 6 PRO QD 4 6 PRO QG 1.800 . 3.500 1.948 1.946 1.950 . 0 0 "[ . 1]" 1
1555 4 6 PRO QD 4 7 SER HA 1.800 . 7.300 5.384 5.375 5.405 . 0 0 "[ . 1]" 1
1556 4 7 SER HA 4 8 LYS QD 1.800 . 6.400 5.996 5.966 6.018 . 0 0 "[ . 1]" 1
1557 4 7 SER HA 4 8 LYS QE 1.800 . 6.700 6.035 5.768 6.119 . 0 0 "[ . 1]" 1
1558 4 7 SER HA 4 8 LYS QG 1.800 . 6.200 4.000 3.940 4.022 . 0 0 "[ . 1]" 1
1559 4 7 SER HA 4 9 PRO QD 1.800 . 7.200 4.411 4.378 4.454 . 0 0 "[ . 1]" 1
1560 4 7 SER QB 4 8 LYS QG 1.800 . 6.200 4.259 4.216 4.294 . 0 0 "[ . 1]" 1
1561 4 8 LYS HA 4 8 LYS QE 1.800 . 6.100 2.500 2.282 2.748 . 0 0 "[ . 1]" 1
1562 4 8 LYS HA 4 8 LYS QG 1.800 . 3.800 2.393 2.352 2.537 . 0 0 "[ . 1]" 1
1563 4 8 LYS HA 4 9 PRO QB 1.800 . 6.400 4.702 4.676 4.722 . 0 0 "[ . 1]" 1
1564 4 8 LYS HA 4 9 PRO QD 1.800 . 3.200 1.894 1.875 1.911 . 0 0 "[ . 1]" 1
1565 4 8 LYS HA 4 9 PRO QG 1.800 . 5.900 3.809 3.786 3.822 . 0 0 "[ . 1]" 1
1566 4 8 LYS QB 4 8 LYS QE 1.800 . 6.000 2.492 2.420 2.711 . 0 0 "[ . 1]" 1
1567 4 8 LYS QB 4 8 LYS QG 1.800 . 4.800 2.061 2.053 2.064 . 0 0 "[ . 1]" 1
1568 4 8 LYS QB 4 9 PRO QD 1.800 . 4.900 3.516 3.456 3.559 . 0 0 "[ . 1]" 1
1569 4 8 LYS QB 4 11 THR HB 1.800 . 7.300 2.359 2.149 2.649 . 0 0 "[ . 1]" 1
1570 4 8 LYS QD 4 8 LYS QG 1.800 . 3.600 2.022 2.013 2.031 . 0 0 "[ . 1]" 1
1571 4 8 LYS QE 4 8 LYS QG 1.800 . 4.000 2.092 2.014 2.136 . 0 0 "[ . 1]" 1
1572 4 8 LYS QE 4 9 PRO QD 1.800 . 6.400 3.693 3.503 3.855 . 0 0 "[ . 1]" 1
1573 4 8 LYS QG 4 9 PRO QD 1.800 . 5.800 3.628 3.607 3.736 . 0 0 "[ . 1]" 1
1574 4 8 LYS QG 4 9 PRO QG 1.800 . 8.100 5.323 5.278 5.382 . 0 0 "[ . 1]" 1
1575 4 8 LYS QG 4 11 THR HB 1.800 . 7.500 4.396 4.174 4.746 . 0 0 "[ . 1]" 1
1576 4 9 PRO HA 4 9 PRO QD 1.800 . 5.000 3.520 3.491 3.540 . 0 0 "[ . 1]" 1
1577 4 9 PRO QB 4 10 LYS QE 1.800 . 7.400 3.123 2.122 5.540 . 0 0 "[ . 1]" 1
1578 4 9 PRO QB 4 11 THR HB 1.800 . 8.100 6.980 6.845 7.160 . 0 0 "[ . 1]" 1
1579 4 9 PRO QB 4 11 THR MG 1.800 . 6.000 4.301 4.213 4.406 . 0 0 "[ . 1]" 1
1580 4 9 PRO QD 4 9 PRO QG 1.800 . 3.700 1.967 1.947 1.982 . 0 0 "[ . 1]" 1
1581 4 9 PRO QD 4 10 LYS HA 1.800 . 5.200 4.624 4.484 4.804 . 0 0 "[ . 1]" 1
1582 4 9 PRO QD 4 11 THR HA 1.800 . 5.800 3.276 3.141 3.386 . 0 0 "[ . 1]" 1
1583 4 9 PRO QG 4 11 THR MG 1.800 . 6.300 4.647 4.578 4.701 . 0 0 "[ . 1]" 1
1584 4 10 LYS HA 4 10 LYS QE 1.800 . 6.200 3.749 2.654 5.124 . 0 0 "[ . 1]" 1
1585 4 10 LYS HA 4 10 LYS QG 1.800 . 6.200 3.392 3.266 3.491 . 0 0 "[ . 1]" 1
1586 4 10 LYS QB 4 10 LYS QE 1.800 . 7.200 2.450 1.875 3.676 . 0 0 "[ . 1]" 1
1587 4 10 LYS QB 4 10 LYS QG 1.800 . 4.800 2.032 2.008 2.052 . 0 0 "[ . 1]" 1
1588 4 10 LYS QB 4 11 THR MG 1.800 . 6.100 4.331 4.169 4.525 . 0 0 "[ . 1]" 1
1589 4 10 LYS QB 4 12 ASN HA 1.800 . 7.500 3.628 2.920 4.749 . 0 0 "[ . 1]" 1
1590 4 10 LYS QD 4 10 LYS QG 1.800 . 3.700 1.991 1.932 2.051 . 0 0 "[ . 1]" 1
1591 4 10 LYS QD 4 11 THR HA 1.800 . 5.100 4.002 2.954 4.566 . 0 0 "[ . 1]" 1
1592 4 10 LYS QE 4 10 LYS QG 1.800 . 6.000 2.422 2.019 2.897 . 0 0 "[ . 1]" 1
1593 4 10 LYS QE 4 11 THR HB 1.800 . 7.900 6.489 4.751 7.129 . 0 0 "[ . 1]" 1
1594 4 10 LYS QG 4 11 THR HB 1.800 . 7.700 5.613 5.319 6.097 . 0 0 "[ . 1]" 1
1595 4 11 THR HA 4 11 THR MG 1.800 . 3.900 2.439 2.371 2.486 . 0 0 "[ . 1]" 1
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