NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398011 |
1t4l   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1t4l
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 744
_Distance_constraint_stats_list.Viol_count 1002
_Distance_constraint_stats_list.Viol_total 655.882
_Distance_constraint_stats_list.Viol_max 0.219
_Distance_constraint_stats_list.Viol_rms 0.0161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0436
_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 1.121 0.109 1 0 "[ . 1 .]"
1 2 G 2.397 0.109 1 0 "[ . 1 .]"
1 3 G 4.368 0.161 4 0 "[ . 1 .]"
1 4 A 2.481 0.129 6 0 "[ . 1 .]"
1 5 U 2.341 0.129 6 0 "[ . 1 .]"
1 6 A 1.776 0.117 6 0 "[ . 1 .]"
1 7 C 2.507 0.183 8 0 "[ . 1 .]"
1 8 C 2.969 0.183 8 0 "[ . 1 .]"
1 9 A 1.853 0.094 8 0 "[ . 1 .]"
1 10 U 1.861 0.109 12 0 "[ . 1 .]"
1 11 G 2.118 0.086 12 0 "[ . 1 .]"
1 12 U 2.254 0.181 1 0 "[ . 1 .]"
1 13 U 4.312 0.219 12 0 "[ . 1 .]"
1 14 C 2.868 0.219 12 0 "[ . 1 .]"
1 15 A 0.127 0.032 4 0 "[ . 1 .]"
1 16 G 0.174 0.027 4 0 "[ . 1 .]"
1 17 A 0.233 0.046 15 0 "[ . 1 .]"
1 18 A 0.291 0.031 6 0 "[ . 1 .]"
1 19 G 1.037 0.087 7 0 "[ . 1 .]"
1 20 A 1.983 0.137 3 0 "[ . 1 .]"
1 21 A 2.453 0.137 3 0 "[ . 1 .]"
1 22 C 1.257 0.109 11 0 "[ . 1 .]"
1 23 G 5.237 0.126 3 0 "[ . 1 .]"
1 24 U 4.394 0.142 15 0 "[ . 1 .]"
1 25 G 3.634 0.142 15 0 "[ . 1 .]"
1 26 G 2.786 0.141 8 0 "[ . 1 .]"
1 27 U 1.740 0.115 12 0 "[ . 1 .]"
1 28 A 4.721 0.186 3 0 "[ . 1 .]"
1 29 U 3.939 0.186 3 0 "[ . 1 .]"
1 30 C 2.977 0.136 5 0 "[ . 1 .]"
1 31 U 4.462 0.136 5 0 "[ . 1 .]"
1 32 C 1.598 0.100 15 0 "[ . 1 .]"
2 8 LYS 0.597 0.085 4 0 "[ . 1 .]"
2 9 ARG 0.569 0.077 13 0 "[ . 1 .]"
2 12 TYR 0.000 0.000 . 0 "[ . 1 .]"
2 14 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 32 ALA 0.713 0.095 1 0 "[ . 1 .]"
2 56 ASN 0.204 0.059 8 0 "[ . 1 .]"
2 57 ILE 0.155 0.057 9 0 "[ . 1 .]"
2 58 LYS 0.014 0.010 7 0 "[ . 1 .]"
2 62 ILE 0.035 0.017 11 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 2 G H1' 6.000 . 6.000 5.751 5.277 6.036 0.036 9 0 "[ . 1 .]" 1
2 1 1 G H1 1 2 G H1 6.000 . 6.000 4.448 3.977 4.870 . 0 0 "[ . 1 .]" 1
3 1 1 G H1 1 31 U H3 6.000 . 6.000 4.700 4.009 5.239 . 0 0 "[ . 1 .]" 1
4 1 1 G H1 1 32 C H41 3.000 . 3.000 2.824 2.453 3.023 0.023 10 0 "[ . 1 .]" 1
5 1 1 G H1 1 32 C H42 4.000 3.000 5.000 4.289 3.978 4.452 . 0 0 "[ . 1 .]" 1
6 1 1 G H1 1 32 C H5 6.000 . 6.000 5.178 5.031 5.347 . 0 0 "[ . 1 .]" 1
7 1 1 G H1' 1 1 G H8 4.500 . 4.500 3.710 3.633 3.769 . 0 0 "[ . 1 .]" 1
8 1 1 G H2' 1 1 G H8 4.500 . 4.500 3.907 3.466 4.280 . 0 0 "[ . 1 .]" 1
9 1 1 G H3' 1 1 G H8 4.500 . 4.500 3.561 2.943 4.287 . 0 0 "[ . 1 .]" 1
10 1 1 G H4' 1 1 G H8 6.000 . 6.000 4.345 4.012 4.694 . 0 0 "[ . 1 .]" 1
11 1 1 G H1' 1 2 G H1' 6.000 . 6.000 5.996 5.903 6.043 0.043 14 0 "[ . 1 .]" 1
12 1 2 G H1 1 3 G H1' 6.000 . 6.000 4.814 4.195 5.236 . 0 0 "[ . 1 .]" 1
13 1 2 G H1 1 3 G H1 6.000 . 6.000 4.028 3.823 4.251 . 0 0 "[ . 1 .]" 1
14 1 2 G H1 1 3 G H8 6.000 . 6.000 5.175 4.788 5.537 . 0 0 "[ . 1 .]" 1
15 1 2 G H1 1 31 U H5 6.000 . 6.000 6.026 5.996 6.074 0.074 15 0 "[ . 1 .]" 1
16 1 2 G H1 1 32 C H1' 6.000 . 6.000 3.970 3.281 4.412 . 0 0 "[ . 1 .]" 1
17 1 2 G H1 1 32 C H5 6.000 . 6.000 5.234 4.774 5.678 . 0 0 "[ . 1 .]" 1
18 1 2 G H1 1 32 C H6 6.000 . 6.000 4.912 4.583 5.341 . 0 0 "[ . 1 .]" 1
19 1 1 G H1' 1 2 G H8 4.500 . 4.500 4.152 3.336 4.609 0.109 1 0 "[ . 1 .]" 1
20 1 1 G H2' 1 2 G H8 3.000 . 3.000 2.209 2.108 2.417 . 0 0 "[ . 1 .]" 1
21 1 1 G H3' 1 2 G H8 4.500 . 4.500 3.773 2.953 4.321 . 0 0 "[ . 1 .]" 1
22 1 1 G H4' 1 2 G H8 6.000 . 6.000 5.490 5.002 5.937 . 0 0 "[ . 1 .]" 1
23 1 1 G H8 1 2 G H8 6.000 . 6.000 5.459 5.079 6.070 0.070 15 0 "[ . 1 .]" 1
24 1 2 G H1' 1 2 G H8 4.500 . 4.500 3.750 3.699 3.784 . 0 0 "[ . 1 .]" 1
25 1 2 G H2' 1 2 G H8 4.500 . 4.500 3.894 3.770 4.026 . 0 0 "[ . 1 .]" 1
26 1 2 G H3' 1 2 G H8 4.500 . 4.500 2.964 2.780 3.292 . 0 0 "[ . 1 .]" 1
27 1 2 G H4' 1 2 G H8 6.000 . 6.000 4.333 4.177 4.425 . 0 0 "[ . 1 .]" 1
28 1 2 G H5'' 1 2 G H8 4.500 . 4.500 4.304 3.833 4.464 . 0 0 "[ . 1 .]" 1
29 1 2 G H5' 1 2 G H8 4.500 . 4.500 3.540 2.994 3.955 . 0 0 "[ . 1 .]" 1
30 1 2 G H1' 1 3 G H1' 6.000 . 6.000 5.969 5.743 6.055 0.055 1 0 "[ . 1 .]" 1
31 1 3 G H1 1 4 A H1' 6.000 . 6.000 6.045 6.023 6.080 0.080 15 0 "[ . 1 .]" 1
32 1 3 G H1 1 4 A H2 6.000 . 6.000 4.784 4.483 5.054 . 0 0 "[ . 1 .]" 1
33 1 3 G H1 1 4 A H61 6.000 . 6.000 4.006 3.565 4.578 . 0 0 "[ . 1 .]" 1
34 1 3 G H1 1 30 C H2' 6.000 . 6.000 5.466 5.233 5.675 . 0 0 "[ . 1 .]" 1
35 1 3 G H1 1 30 C H41 3.000 . 3.000 2.235 1.779 2.888 0.021 10 0 "[ . 1 .]" 1
36 1 3 G H1 1 30 C H42 4.000 3.000 5.000 3.819 3.405 4.395 . 0 0 "[ . 1 .]" 1
37 1 3 G H1 1 30 C H5 6.000 . 6.000 5.003 4.756 5.338 . 0 0 "[ . 1 .]" 1
38 1 3 G H1 1 31 U H1' 6.000 . 6.000 4.345 4.153 4.509 . 0 0 "[ . 1 .]" 1
39 1 3 G H1 1 31 U H2' 6.000 . 6.000 6.031 5.971 6.078 0.078 4 0 "[ . 1 .]" 1
40 1 3 G H1 1 31 U H3 6.000 . 6.000 3.140 2.971 3.373 . 0 0 "[ . 1 .]" 1
41 1 3 G H1 1 31 U H5 6.000 . 6.000 4.789 4.580 5.187 . 0 0 "[ . 1 .]" 1
42 1 3 G H1 1 31 U H6 6.000 . 6.000 4.903 4.737 5.131 . 0 0 "[ . 1 .]" 1
43 1 2 G H1' 1 3 G H8 4.500 . 4.500 4.544 4.486 4.595 0.095 10 0 "[ . 1 .]" 1
44 1 2 G H2' 1 3 G H8 3.000 . 3.000 2.148 2.123 2.177 . 0 0 "[ . 1 .]" 1
45 1 2 G H3' 1 3 G H8 4.500 . 4.500 3.242 3.024 3.516 . 0 0 "[ . 1 .]" 1
46 1 2 G H4' 1 3 G H8 6.000 . 6.000 5.692 5.610 5.801 . 0 0 "[ . 1 .]" 1
47 1 2 G H8 1 3 G H8 6.000 . 6.000 4.416 4.172 4.616 . 0 0 "[ . 1 .]" 1
48 1 3 G H1' 1 3 G H8 4.500 . 4.500 3.774 3.724 3.796 . 0 0 "[ . 1 .]" 1
49 1 3 G H2' 1 3 G H8 4.500 . 4.500 3.534 3.281 3.763 . 0 0 "[ . 1 .]" 1
50 1 3 G H3' 1 3 G H8 4.500 . 4.500 3.457 3.028 3.861 . 0 0 "[ . 1 .]" 1
51 1 3 G H4' 1 3 G H8 6.000 . 6.000 4.519 4.447 4.588 . 0 0 "[ . 1 .]" 1
52 1 3 G H5'' 1 3 G H8 4.500 . 4.500 4.601 4.559 4.661 0.161 4 0 "[ . 1 .]" 1
53 1 3 G H5' 1 3 G H8 4.500 . 4.500 4.131 3.822 4.352 . 0 0 "[ . 1 .]" 1
54 1 3 G H1' 1 4 A H1' 6.000 . 6.000 5.833 5.434 6.007 0.007 14 0 "[ . 1 .]" 1
55 1 4 A H1' 1 4 A H2 6.000 . 6.000 4.584 4.527 4.642 . 0 0 "[ . 1 .]" 1
56 1 4 A H2 1 5 U H1' 4.500 . 4.500 4.472 4.188 4.540 0.040 1 0 "[ . 1 .]" 1
57 1 4 A H2 1 5 U H5 6.000 . 6.000 5.979 5.777 6.046 0.046 13 0 "[ . 1 .]" 1
58 1 4 A H2 1 28 A H2 6.000 . 6.000 4.612 4.191 4.882 . 0 0 "[ . 1 .]" 1
59 1 4 A H2 1 30 C H1' 4.500 . 4.500 3.781 3.325 4.215 . 0 0 "[ . 1 .]" 1
60 1 3 G H1' 1 4 A H8 4.500 . 4.500 4.376 3.869 4.544 0.044 2 0 "[ . 1 .]" 1
61 1 3 G H2' 1 4 A H8 3.000 . 3.000 2.146 2.117 2.179 . 0 0 "[ . 1 .]" 1
62 1 3 G H3' 1 4 A H8 4.500 . 4.500 4.006 3.870 4.100 . 0 0 "[ . 1 .]" 1
63 1 3 G H4' 1 4 A H8 6.000 . 6.000 5.674 5.319 5.865 . 0 0 "[ . 1 .]" 1
64 1 3 G H8 1 4 A H8 6.000 . 6.000 5.388 5.162 5.819 . 0 0 "[ . 1 .]" 1
65 1 4 A H1' 1 4 A H8 4.500 . 4.500 3.817 3.794 3.846 . 0 0 "[ . 1 .]" 1
66 1 4 A H2' 1 4 A H8 4.500 . 4.500 3.509 3.348 3.690 . 0 0 "[ . 1 .]" 1
67 1 4 A H3' 1 4 A H8 4.500 . 4.500 2.922 2.451 3.158 . 0 0 "[ . 1 .]" 1
68 1 4 A H4' 1 4 A H8 6.000 . 6.000 4.432 4.090 4.517 . 0 0 "[ . 1 .]" 1
69 1 4 A H5'' 1 4 A H8 4.500 . 4.500 4.374 3.714 4.540 0.040 12 0 "[ . 1 .]" 1
70 1 4 A H5' 1 4 A H8 4.500 . 4.500 4.040 3.309 4.337 . 0 0 "[ . 1 .]" 1
71 1 4 A H1' 1 5 U H1' 6.000 . 6.000 5.445 5.058 5.697 . 0 0 "[ . 1 .]" 1
72 1 5 U H2' 1 6 A H1' 4.500 . 4.500 4.149 3.887 4.548 0.048 6 0 "[ . 1 .]" 1
73 1 5 U H2' 1 28 A H2 6.000 . 6.000 5.916 5.711 6.038 0.038 10 0 "[ . 1 .]" 1
74 1 4 A H2 1 5 U H3 6.000 . 6.000 4.060 3.758 4.566 . 0 0 "[ . 1 .]" 1
75 1 4 A H62 1 5 U H3 6.000 . 6.000 5.309 4.496 5.726 . 0 0 "[ . 1 .]" 1
76 1 5 U H1' 1 5 U H3 6.000 . 6.000 4.520 4.491 4.545 . 0 0 "[ . 1 .]" 1
77 1 5 U H3 1 6 A H1' 6.000 . 6.000 5.002 4.767 5.507 . 0 0 "[ . 1 .]" 1
78 1 5 U H3 1 28 A H2 3.000 . 3.000 2.569 2.311 2.810 . 0 0 "[ . 1 .]" 1
79 1 5 U H3 1 28 A H61 3.000 . 3.000 2.934 2.488 3.069 0.069 13 0 "[ . 1 .]" 1
80 1 5 U H3 1 28 A H62 4.000 3.000 5.000 4.410 4.001 4.519 . 0 0 "[ . 1 .]" 1
81 1 4 A H1' 1 5 U H5 6.000 . 6.000 5.132 4.972 5.606 . 0 0 "[ . 1 .]" 1
82 1 4 A H2' 1 5 U H5 4.500 . 4.500 2.544 2.331 3.695 . 0 0 "[ . 1 .]" 1
83 1 4 A H3' 1 5 U H5 4.500 . 4.500 3.596 3.330 3.897 . 0 0 "[ . 1 .]" 1
84 1 5 U H2' 1 5 U H5 6.000 . 6.000 5.048 4.909 5.189 . 0 0 "[ . 1 .]" 1
85 1 5 U H3' 1 5 U H5 6.000 . 6.000 4.266 4.070 4.915 . 0 0 "[ . 1 .]" 1
86 1 5 U H5 1 6 A H8 6.000 . 6.000 4.840 4.479 5.864 . 0 0 "[ . 1 .]" 1
87 1 4 A H1' 1 5 U H6 4.500 . 4.500 4.490 4.380 4.629 0.129 6 0 "[ . 1 .]" 1
88 1 4 A H2' 1 5 U H6 3.000 . 3.000 2.206 2.089 2.353 . 0 0 "[ . 1 .]" 1
89 1 4 A H3' 1 5 U H6 4.500 . 4.500 3.894 3.284 4.066 . 0 0 "[ . 1 .]" 1
90 1 4 A H4' 1 5 U H6 6.000 . 6.000 5.375 5.227 5.671 . 0 0 "[ . 1 .]" 1
91 1 4 A H8 1 5 U H6 6.000 . 6.000 5.529 4.583 5.875 . 0 0 "[ . 1 .]" 1
92 1 5 U H1' 1 5 U H6 4.500 . 4.500 3.659 3.624 3.683 . 0 0 "[ . 1 .]" 1
93 1 5 U H2' 1 5 U H6 4.500 . 4.500 3.534 3.330 3.698 . 0 0 "[ . 1 .]" 1
94 1 5 U H3' 1 5 U H6 4.500 . 4.500 2.359 2.191 2.936 . 0 0 "[ . 1 .]" 1
95 1 5 U H4' 1 5 U H6 6.000 . 6.000 3.874 3.727 4.150 . 0 0 "[ . 1 .]" 1
96 1 5 U H5'' 1 5 U H6 4.500 . 4.500 3.545 3.181 4.056 . 0 0 "[ . 1 .]" 1
97 1 5 U H5' 1 5 U H6 4.500 . 4.500 3.424 3.199 3.896 . 0 0 "[ . 1 .]" 1
98 1 5 U H1' 1 6 A H1' 4.500 . 6.000 5.385 5.067 5.809 . 0 0 "[ . 1 .]" 1
99 1 6 A H1' 1 6 A H2 6.000 . 6.000 4.692 4.619 4.748 . 0 0 "[ . 1 .]" 1
100 1 6 A H2 1 7 C H1' 4.500 . 4.500 4.280 4.041 4.501 0.001 15 0 "[ . 1 .]" 1
101 1 6 A H2 1 7 C H5 6.000 . 6.000 5.906 5.700 6.024 0.024 15 0 "[ . 1 .]" 1
102 1 6 A H2 1 7 C H6 6.000 . 6.000 5.607 5.445 5.765 . 0 0 "[ . 1 .]" 1
103 1 6 A H2 1 28 A H1' 4.500 . 4.500 4.445 4.119 4.534 0.034 4 0 "[ . 1 .]" 1
104 1 6 A H2 1 28 A H2 6.000 . 6.000 4.481 4.293 4.723 . 0 0 "[ . 1 .]" 1
105 1 6 A H2 1 28 A H8 6.000 . 6.000 5.648 5.406 5.840 . 0 0 "[ . 1 .]" 1
106 1 5 U H1' 1 6 A H8 4.500 . 4.500 4.556 4.515 4.617 0.117 6 0 "[ . 1 .]" 1
107 1 5 U H2' 1 6 A H8 3.000 . 3.000 2.137 2.086 2.173 . 0 0 "[ . 1 .]" 1
108 1 5 U H3' 1 6 A H8 4.500 . 4.500 3.253 2.872 3.828 . 0 0 "[ . 1 .]" 1
109 1 5 U H4' 1 6 A H8 6.000 . 6.000 5.686 5.501 5.820 . 0 0 "[ . 1 .]" 1
110 1 5 U H6 1 6 A H8 6.000 . 6.000 4.268 3.961 5.066 . 0 0 "[ . 1 .]" 1
111 1 6 A H1' 1 6 A H8 4.500 . 4.500 3.767 3.737 3.798 . 0 0 "[ . 1 .]" 1
112 1 6 A H2' 1 6 A H8 4.500 . 4.500 3.685 3.522 3.816 . 0 0 "[ . 1 .]" 1
113 1 6 A H3' 1 6 A H8 4.500 . 4.500 3.327 3.180 3.553 . 0 0 "[ . 1 .]" 1
114 1 6 A H4' 1 6 A H8 6.000 . 6.000 4.517 4.488 4.559 . 0 0 "[ . 1 .]" 1
115 1 6 A H5'' 1 6 A H8 4.500 . 4.500 4.517 4.451 4.592 0.092 9 0 "[ . 1 .]" 1
116 1 6 A H5' 1 6 A H8 4.500 . 4.500 4.295 4.153 4.439 . 0 0 "[ . 1 .]" 1
117 1 6 A H1' 1 7 C H1' 6.000 . 6.000 5.981 5.806 6.050 0.050 7 0 "[ . 1 .]" 1
118 1 6 A H1' 1 7 C H5 6.000 . 6.000 5.124 4.982 5.248 . 0 0 "[ . 1 .]" 1
119 1 6 A H2' 1 7 C H5 4.500 . 4.500 2.419 2.270 2.707 . 0 0 "[ . 1 .]" 1
120 1 6 A H3' 1 7 C H5 4.500 . 4.500 3.271 3.058 3.695 . 0 0 "[ . 1 .]" 1
121 1 7 C H2' 1 7 C H5 6.000 . 6.000 5.000 4.701 5.230 . 0 0 "[ . 1 .]" 1
122 1 7 C H3' 1 7 C H5 6.000 . 6.000 4.294 4.125 4.472 . 0 0 "[ . 1 .]" 1
123 1 7 C H5 1 8 C H5 6.000 . 6.000 3.564 2.730 3.999 . 0 0 "[ . 1 .]" 1
124 1 7 C H5 1 8 C H6 6.000 . 6.000 5.619 4.707 6.072 0.072 15 0 "[ . 1 .]" 1
125 1 6 A H1' 1 7 C H6 6.000 . 6.000 4.688 4.559 4.785 . 0 0 "[ . 1 .]" 1
126 1 6 A H2' 1 7 C H6 3.000 . 3.000 2.267 2.175 2.345 . 0 0 "[ . 1 .]" 1
127 1 6 A H3' 1 7 C H6 4.500 . 4.500 3.794 3.693 3.874 . 0 0 "[ . 1 .]" 1
128 1 6 A H4' 1 7 C H6 6.000 . 6.000 5.392 5.193 5.671 . 0 0 "[ . 1 .]" 1
129 1 6 A H8 1 7 C H6 6.000 . 6.000 5.820 5.378 6.020 0.020 5 0 "[ . 1 .]" 1
130 1 7 C H1' 1 7 C H6 4.500 . 4.500 3.676 3.635 3.703 . 0 0 "[ . 1 .]" 1
131 1 7 C H2' 1 7 C H6 4.500 . 4.500 3.455 3.141 3.735 . 0 0 "[ . 1 .]" 1
132 1 7 C H3' 1 7 C H6 4.500 . 4.500 2.324 2.189 2.562 . 0 0 "[ . 1 .]" 1
133 1 7 C H4' 1 7 C H6 6.000 . 6.000 3.849 3.738 4.044 . 0 0 "[ . 1 .]" 1
134 1 7 C H5'' 1 7 C H6 4.500 . 4.500 3.497 3.255 3.975 . 0 0 "[ . 1 .]" 1
135 1 7 C H5' 1 7 C H6 4.500 . 4.500 3.275 2.864 3.630 . 0 0 "[ . 1 .]" 1
136 1 7 C H1' 1 8 C H1' 6.000 . 6.000 5.946 5.672 6.027 0.027 1 0 "[ . 1 .]" 1
137 1 7 C H1' 1 8 C H5 6.000 . 6.000 5.046 4.819 5.386 . 0 0 "[ . 1 .]" 1
138 1 7 C H2' 1 8 C H5 4.500 . 4.500 3.099 2.488 3.821 . 0 0 "[ . 1 .]" 1
139 1 7 C H3' 1 8 C H5 4.500 . 4.500 3.502 2.994 3.892 . 0 0 "[ . 1 .]" 1
140 1 8 C H2' 1 8 C H5 6.000 . 6.000 4.921 4.586 5.201 . 0 0 "[ . 1 .]" 1
141 1 8 C H3' 1 8 C H5 6.000 . 6.000 4.564 4.199 5.754 . 0 0 "[ . 1 .]" 1
142 1 8 C H5 1 9 A H8 6.000 . 6.000 4.877 4.184 6.062 0.062 14 0 "[ . 1 .]" 1
143 1 7 C H1' 1 8 C H6 4.500 . 4.500 4.609 4.534 4.683 0.183 8 0 "[ . 1 .]" 1
144 1 7 C H2' 1 8 C H6 3.000 . 3.000 2.094 2.050 2.154 . 0 0 "[ . 1 .]" 1
145 1 7 C H3' 1 8 C H6 4.500 . 4.500 3.452 3.076 3.904 . 0 0 "[ . 1 .]" 1
146 1 7 C H4' 1 8 C H6 6.000 . 6.000 5.615 5.396 5.744 . 0 0 "[ . 1 .]" 1
147 1 7 C H6 1 8 C H6 6.000 . 6.000 4.743 4.023 5.037 . 0 0 "[ . 1 .]" 1
148 1 8 C H1' 1 8 C H6 4.500 . 4.500 3.671 3.606 3.695 . 0 0 "[ . 1 .]" 1
149 1 8 C H2' 1 8 C H6 4.500 . 4.500 3.364 3.000 3.730 . 0 0 "[ . 1 .]" 1
150 1 8 C H3' 1 8 C H6 4.500 . 4.500 2.518 2.171 3.562 . 0 0 "[ . 1 .]" 1
151 1 8 C H4' 1 8 C H6 6.000 . 6.000 4.054 3.901 4.391 . 0 0 "[ . 1 .]" 1
152 1 8 C H5'' 1 8 C H6 4.500 . 4.500 3.992 3.658 4.536 0.036 3 0 "[ . 1 .]" 1
153 1 8 C H5' 1 8 C H6 4.500 . 4.500 3.659 3.393 4.281 . 0 0 "[ . 1 .]" 1
154 1 8 C H1' 1 9 A H1' 6.000 . 6.000 5.577 4.922 6.033 0.033 3 0 "[ . 1 .]" 1
155 1 9 A H1' 1 9 A H2 6.000 . 6.000 4.658 4.558 4.752 . 0 0 "[ . 1 .]" 1
156 1 9 A H2 1 10 U H1' 4.500 . 4.500 3.851 3.311 4.244 . 0 0 "[ . 1 .]" 1
157 1 9 A H2 1 10 U H6 6.000 . 6.000 5.783 5.331 6.021 0.021 10 0 "[ . 1 .]" 1
158 1 9 A H2 1 25 G H1' 4.500 . 4.500 4.479 4.128 4.557 0.057 9 0 "[ . 1 .]" 1
159 1 9 A H2 1 25 G H8 6.000 . 6.000 5.571 5.035 6.026 0.026 14 0 "[ . 1 .]" 1
160 1 8 C H1' 1 9 A H8 4.500 . 4.500 4.479 3.557 4.594 0.094 8 0 "[ . 1 .]" 1
161 1 8 C H2' 1 9 A H8 3.000 . 3.000 2.136 2.101 2.179 . 0 0 "[ . 1 .]" 1
162 1 8 C H3' 1 9 A H8 4.500 . 4.500 3.229 2.653 4.122 . 0 0 "[ . 1 .]" 1
163 1 8 C H4' 1 9 A H8 6.000 . 6.000 5.509 5.231 5.703 . 0 0 "[ . 1 .]" 1
164 1 8 C H6 1 9 A H8 6.000 . 6.000 4.148 3.667 4.998 . 0 0 "[ . 1 .]" 1
165 1 9 A H1' 1 9 A H8 4.500 . 4.500 3.788 3.729 3.844 . 0 0 "[ . 1 .]" 1
166 1 9 A H2' 1 9 A H8 4.500 . 4.500 3.635 3.453 3.820 . 0 0 "[ . 1 .]" 1
167 1 9 A H3' 1 9 A H8 4.500 . 4.500 3.102 2.400 3.458 . 0 0 "[ . 1 .]" 1
168 1 9 A H4' 1 9 A H8 6.000 . 6.000 4.468 4.243 4.549 . 0 0 "[ . 1 .]" 1
169 1 9 A H5'' 1 9 A H8 4.500 . 4.500 4.431 4.009 4.592 0.092 10 0 "[ . 1 .]" 1
170 1 9 A H5' 1 9 A H8 4.500 . 4.500 4.207 3.731 4.477 . 0 0 "[ . 1 .]" 1
171 1 9 A H1' 1 10 U H1' 6.000 . 6.000 5.568 4.848 6.015 0.015 2 0 "[ . 1 .]" 1
172 1 9 A H2 1 10 U H3 6.000 . 6.000 4.801 4.398 5.155 . 0 0 "[ . 1 .]" 1
173 1 9 A H61 1 10 U H3 6.000 . 6.000 3.956 3.018 4.838 . 0 0 "[ . 1 .]" 1
174 1 9 A H62 1 10 U H3 6.000 . 6.000 4.381 3.595 5.162 . 0 0 "[ . 1 .]" 1
175 1 10 U H2' 1 10 U H3 6.000 . 6.000 4.752 4.545 5.006 . 0 0 "[ . 1 .]" 1
176 1 10 U H3 1 11 G H1' 6.000 . 6.000 5.802 5.398 6.009 0.009 11 0 "[ . 1 .]" 1
177 1 10 U H3 1 11 G H1 6.000 . 6.000 5.499 5.274 5.774 . 0 0 "[ . 1 .]" 1
178 1 10 U H3 1 11 G H8 6.000 . 6.000 4.893 4.547 5.141 . 0 0 "[ . 1 .]" 1
179 1 10 U H3 1 22 C H41 6.000 . 6.000 5.429 4.936 5.895 . 0 0 "[ . 1 .]" 1
180 1 10 U H3 1 23 G H1 3.000 . 3.000 2.169 2.140 2.187 . 0 0 "[ . 1 .]" 1
181 1 10 U H3 1 23 G H21 4.500 . 4.500 4.270 4.235 4.301 . 0 0 "[ . 1 .]" 1
182 1 9 A H1' 1 10 U H5 6.000 . 6.000 5.720 5.434 6.025 0.025 3 0 "[ . 1 .]" 1
183 1 9 A H2' 1 10 U H5 4.500 . 4.500 3.300 2.625 4.112 . 0 0 "[ . 1 .]" 1
184 1 9 A H3' 1 10 U H5 4.500 . 4.500 3.625 3.089 4.226 . 0 0 "[ . 1 .]" 1
185 1 10 U H2' 1 10 U H5 6.000 . 6.000 4.881 4.507 5.146 . 0 0 "[ . 1 .]" 1
186 1 10 U H3' 1 10 U H5 6.000 . 6.000 4.740 4.276 5.552 . 0 0 "[ . 1 .]" 1
187 1 10 U H5 1 11 G H8 4.500 . 6.000 5.986 5.682 6.086 0.086 12 0 "[ . 1 .]" 1
188 1 9 A H1' 1 10 U H6 6.000 . 6.000 4.851 4.681 5.004 . 0 0 "[ . 1 .]" 1
189 1 9 A H2' 1 10 U H6 3.000 . 3.000 2.244 2.148 2.391 . 0 0 "[ . 1 .]" 1
190 1 9 A H3' 1 10 U H6 3.000 . 4.500 3.543 3.186 3.783 . 0 0 "[ . 1 .]" 1
191 1 9 A H4' 1 10 U H6 6.000 . 6.000 5.617 5.315 5.964 . 0 0 "[ . 1 .]" 1
192 1 9 A H8 1 10 U H6 6.000 . 6.000 5.150 4.052 5.893 . 0 0 "[ . 1 .]" 1
193 1 10 U H1' 1 10 U H6 4.500 . 4.500 3.663 3.616 3.701 . 0 0 "[ . 1 .]" 1
194 1 10 U H2' 1 10 U H6 4.500 . 4.500 3.340 2.829 3.652 . 0 0 "[ . 1 .]" 1
195 1 10 U H3' 1 10 U H6 4.500 . 4.500 2.736 2.381 3.387 . 0 0 "[ . 1 .]" 1
196 1 10 U H4' 1 10 U H6 6.000 . 6.000 4.059 3.777 4.367 . 0 0 "[ . 1 .]" 1
197 1 10 U H5'' 1 10 U H6 4.500 . 4.500 3.836 3.237 4.539 0.039 4 0 "[ . 1 .]" 1
198 1 10 U H5' 1 10 U H6 4.500 . 4.500 3.748 3.258 4.200 . 0 0 "[ . 1 .]" 1
199 1 10 U H1' 1 11 G H1' 6.000 . 6.000 4.929 4.550 5.301 . 0 0 "[ . 1 .]" 1
200 1 11 G H1 1 11 G H21 3.000 . 3.000 2.217 2.213 2.221 . 0 0 "[ . 1 .]" 1
201 1 11 G H1 1 12 U H1' 6.000 . 6.000 5.396 5.012 5.985 . 0 0 "[ . 1 .]" 1
202 1 11 G H1 1 21 A H2 6.000 . 6.000 4.403 4.141 4.823 . 0 0 "[ . 1 .]" 1
203 1 11 G H1 1 21 A H61 6.000 . 6.000 5.100 5.000 5.225 . 0 0 "[ . 1 .]" 1
204 1 11 G H1 1 21 A H62 6.000 . 6.000 5.988 5.707 6.033 0.033 4 0 "[ . 1 .]" 1
205 1 11 G H1 1 22 C H41 3.000 . 3.000 2.845 2.530 3.046 0.046 12 0 "[ . 1 .]" 1
206 1 11 G H1 1 22 C H42 4.000 3.000 5.000 4.319 4.018 4.504 . 0 0 "[ . 1 .]" 1
207 1 11 G H1 1 22 C H5 6.000 . 6.000 5.216 4.995 5.348 . 0 0 "[ . 1 .]" 1
208 1 11 G H1 1 23 G H1' 4.500 . 4.500 4.529 4.486 4.567 0.067 13 0 "[ . 1 .]" 1
209 1 11 G H1 1 23 G H1 6.000 . 6.000 5.123 4.947 5.440 . 0 0 "[ . 1 .]" 1
210 1 11 G H1 1 23 G H8 6.000 . 6.000 4.455 3.979 4.871 . 0 0 "[ . 1 .]" 1
211 1 10 U H1' 1 11 G H8 4.500 . 4.500 4.308 3.561 4.554 0.054 6 0 "[ . 1 .]" 1
212 1 10 U H2' 1 11 G H8 3.000 . 3.000 2.166 2.118 2.215 . 0 0 "[ . 1 .]" 1
213 1 10 U H3' 1 11 G H8 4.500 . 4.500 4.043 3.756 4.275 . 0 0 "[ . 1 .]" 1
214 1 10 U H4' 1 11 G H8 4.500 . 6.000 5.751 5.201 5.990 . 0 0 "[ . 1 .]" 1
215 1 10 U H6 1 11 G H8 6.000 . 6.000 5.102 4.860 5.272 . 0 0 "[ . 1 .]" 1
216 1 11 G H1' 1 11 G H8 4.500 . 4.500 3.755 3.717 3.796 . 0 0 "[ . 1 .]" 1
217 1 11 G H2' 1 11 G H8 4.500 . 4.500 3.703 3.485 3.837 . 0 0 "[ . 1 .]" 1
218 1 11 G H3' 1 11 G H8 4.500 . 4.500 3.401 3.243 3.562 . 0 0 "[ . 1 .]" 1
219 1 11 G H4' 1 11 G H8 6.000 . 6.000 4.531 4.508 4.563 . 0 0 "[ . 1 .]" 1
220 1 11 G H5'' 1 11 G H8 4.500 . 4.500 4.520 4.436 4.578 0.078 14 0 "[ . 1 .]" 1
221 1 11 G H5' 1 11 G H8 4.500 . 4.500 4.396 4.336 4.456 . 0 0 "[ . 1 .]" 1
222 1 11 G H1' 1 12 U H1' 6.000 . 6.000 4.816 4.625 5.134 . 0 0 "[ . 1 .]" 1
223 1 11 G H1 1 12 U H3 6.000 . 6.000 4.125 3.873 4.405 . 0 0 "[ . 1 .]" 1
224 1 11 G H21 1 12 U H3 6.000 . 6.000 4.109 3.833 4.319 . 0 0 "[ . 1 .]" 1
225 1 12 U H1' 1 12 U H3 6.000 . 6.000 4.534 4.514 4.550 . 0 0 "[ . 1 .]" 1
226 1 12 U H2' 1 12 U H3 6.000 . 6.000 4.603 4.543 4.656 . 0 0 "[ . 1 .]" 1
227 1 12 U H3 1 13 U H1' 6.000 . 6.000 4.919 4.478 5.351 . 0 0 "[ . 1 .]" 1
228 1 12 U H3 1 13 U H3 6.000 . 6.000 4.020 3.682 4.580 . 0 0 "[ . 1 .]" 1
229 1 12 U H3 1 13 U H5 6.000 . 6.000 4.436 3.907 5.389 . 0 0 "[ . 1 .]" 1
230 1 12 U H3 1 13 U H6 6.000 . 6.000 4.714 4.252 5.242 . 0 0 "[ . 1 .]" 1
231 1 12 U H3 1 20 A H2 6.000 . 6.000 5.938 5.557 6.031 0.031 15 0 "[ . 1 .]" 1
232 1 12 U H3 1 21 A H2 3.000 . 3.000 2.838 2.601 3.020 0.020 5 0 "[ . 1 .]" 1
233 1 12 U H3 1 21 A H61 4.500 . 4.500 2.701 2.461 3.022 . 0 0 "[ . 1 .]" 1
234 1 12 U H3 1 21 A H62 4.500 . 4.500 4.236 4.032 4.512 0.012 11 0 "[ . 1 .]" 1
235 1 12 U H3 1 22 C H1' 6.000 . 6.000 5.839 5.462 6.019 0.019 2 0 "[ . 1 .]" 1
236 1 12 U H3 1 22 C H41 6.000 . 6.000 5.753 5.394 5.968 . 0 0 "[ . 1 .]" 1
237 1 11 G H1' 1 12 U H5 6.000 . 6.000 5.644 5.340 5.959 . 0 0 "[ . 1 .]" 1
238 1 11 G H2' 1 12 U H5 4.500 . 4.500 2.865 2.545 3.170 . 0 0 "[ . 1 .]" 1
239 1 11 G H3' 1 12 U H5 4.500 . 4.500 3.921 3.636 4.117 . 0 0 "[ . 1 .]" 1
240 1 11 G H8 1 12 U H5 6.000 . 6.000 5.555 5.309 5.915 . 0 0 "[ . 1 .]" 1
241 1 12 U H2' 1 12 U H5 6.000 . 6.000 5.163 4.979 5.258 . 0 0 "[ . 1 .]" 1
242 1 12 U H3' 1 12 U H5 6.000 . 6.000 4.510 4.362 4.659 . 0 0 "[ . 1 .]" 1
243 1 12 U H5 1 13 U H5 6.000 . 6.000 4.905 4.253 5.532 . 0 0 "[ . 1 .]" 1
244 1 12 U H5 1 13 U H6 6.000 . 6.000 5.899 5.404 6.090 0.090 12 0 "[ . 1 .]" 1
245 1 11 G H1' 1 12 U H6 4.500 . 4.500 4.445 4.340 4.535 0.035 11 0 "[ . 1 .]" 1
246 1 11 G H2' 1 12 U H6 3.000 . 3.000 2.277 2.200 2.540 . 0 0 "[ . 1 .]" 1
247 1 11 G H3' 1 12 U H6 4.500 . 4.500 3.932 3.791 4.118 . 0 0 "[ . 1 .]" 1
248 1 11 G H4' 1 12 U H6 6.000 . 6.000 5.247 5.013 5.433 . 0 0 "[ . 1 .]" 1
249 1 11 G H8 1 12 U H6 6.000 . 6.000 5.952 5.844 6.053 0.053 12 0 "[ . 1 .]" 1
250 1 12 U H1' 1 12 U H6 4.500 . 4.500 3.628 3.603 3.657 . 0 0 "[ . 1 .]" 1
251 1 12 U H2' 1 12 U H6 4.500 . 4.500 3.675 3.489 3.765 . 0 0 "[ . 1 .]" 1
252 1 12 U H3' 1 12 U H6 4.500 . 4.500 2.665 2.532 2.834 . 0 0 "[ . 1 .]" 1
253 1 12 U H4' 1 12 U H6 6.000 . 6.000 3.878 3.770 3.950 . 0 0 "[ . 1 .]" 1
254 1 12 U H5'' 1 12 U H6 4.500 . 4.500 3.416 3.179 3.584 . 0 0 "[ . 1 .]" 1
255 1 12 U H5' 1 12 U H6 4.500 . 4.500 3.408 3.211 3.548 . 0 0 "[ . 1 .]" 1
256 1 12 U H1' 1 13 U H1' 6.000 . 6.000 4.968 4.355 5.267 . 0 0 "[ . 1 .]" 1
257 1 13 U H1' 1 14 C H5 6.000 . 6.000 5.955 5.859 6.049 0.049 1 0 "[ . 1 .]" 1
258 1 13 U H2' 1 14 C H5 4.500 . 4.500 3.312 3.157 3.587 . 0 0 "[ . 1 .]" 1
259 1 13 U H3' 1 14 C H5 6.000 . 6.000 4.309 3.702 4.751 . 0 0 "[ . 1 .]" 1
260 1 13 U H1' 1 13 U H3 6.000 . 6.000 4.537 4.522 4.562 . 0 0 "[ . 1 .]" 1
261 1 13 U H2' 1 13 U H3 6.000 . 6.000 4.680 4.496 4.829 . 0 0 "[ . 1 .]" 1
262 1 13 U H3 1 14 C H1' 6.000 . 6.000 4.783 4.611 5.057 . 0 0 "[ . 1 .]" 1
263 1 13 U H3 1 14 C H41 6.000 . 6.000 5.325 5.006 5.729 . 0 0 "[ . 1 .]" 1
264 1 13 U H3 1 14 C H42 6.000 . 6.000 5.591 5.259 5.984 . 0 0 "[ . 1 .]" 1
265 1 13 U H3 1 14 C H5 6.000 . 6.000 5.338 4.936 5.695 . 0 0 "[ . 1 .]" 1
266 1 13 U H3 1 14 C H6 6.000 . 6.000 5.295 4.939 5.505 . 0 0 "[ . 1 .]" 1
267 1 13 U H3 1 19 G H1 6.000 . 6.000 5.104 4.779 5.523 . 0 0 "[ . 1 .]" 1
268 1 13 U H3 1 19 G H21 6.000 . 6.000 4.846 4.466 5.176 . 0 0 "[ . 1 .]" 1
269 1 13 U H3 1 20 A H2 4.500 . 4.500 2.949 2.600 3.314 . 0 0 "[ . 1 .]" 1
270 1 13 U H3 1 20 A H61 4.500 . 4.500 2.714 2.246 3.044 . 0 0 "[ . 1 .]" 1
271 1 13 U H3 1 20 A H62 4.500 . 4.500 4.275 3.871 4.529 0.029 7 0 "[ . 1 .]" 1
272 1 13 U H3 1 21 A H2 6.000 . 6.000 3.516 3.101 4.434 . 0 0 "[ . 1 .]" 1
273 1 13 U H3 1 21 A H61 6.000 . 6.000 4.781 4.348 5.143 . 0 0 "[ . 1 .]" 1
274 1 13 U H3 1 21 A H62 6.000 . 6.000 5.327 4.840 5.767 . 0 0 "[ . 1 .]" 1
275 1 12 U H2' 1 13 U H5 4.500 . 4.500 3.806 3.589 4.009 . 0 0 "[ . 1 .]" 1
276 1 12 U H3' 1 13 U H5 4.500 . 4.500 4.409 4.156 4.512 0.012 14 0 "[ . 1 .]" 1
277 1 13 U H2' 1 13 U H5 6.000 . 6.000 4.790 4.667 5.133 . 0 0 "[ . 1 .]" 1
278 1 13 U H3' 1 13 U H5 6.000 . 6.000 5.113 4.555 5.444 . 0 0 "[ . 1 .]" 1
279 1 13 U H5 1 14 C H5 6.000 . 6.000 5.028 4.888 5.115 . 0 0 "[ . 1 .]" 1
280 1 13 U H5 1 14 C H6 6.000 . 6.000 6.073 6.049 6.100 0.100 3 0 "[ . 1 .]" 1
281 1 12 U H1' 1 13 U H6 4.500 . 4.500 4.599 4.551 4.681 0.181 1 0 "[ . 1 .]" 1
282 1 12 U H2' 1 13 U H6 3.000 . 3.000 2.140 2.080 2.182 . 0 0 "[ . 1 .]" 1
283 1 12 U H3' 1 13 U H6 4.500 . 4.500 3.724 3.562 3.877 . 0 0 "[ . 1 .]" 1
284 1 12 U H4' 1 13 U H6 6.000 . 6.000 5.878 5.625 5.985 . 0 0 "[ . 1 .]" 1
285 1 12 U H6 1 13 U H6 6.000 . 6.000 5.145 4.802 5.284 . 0 0 "[ . 1 .]" 1
286 1 13 U H1' 1 13 U H6 4.500 . 4.500 3.640 3.594 3.661 . 0 0 "[ . 1 .]" 1
287 1 13 U H2' 1 13 U H6 4.500 . 4.500 3.303 3.127 3.699 . 0 0 "[ . 1 .]" 1
288 1 13 U H3' 1 13 U H6 4.500 . 4.500 3.102 2.665 3.355 . 0 0 "[ . 1 .]" 1
289 1 13 U H4' 1 13 U H6 6.000 . 6.000 4.235 4.027 4.338 . 0 0 "[ . 1 .]" 1
290 1 13 U H5'' 1 13 U H6 4.500 . 4.500 4.213 3.740 4.492 . 0 0 "[ . 1 .]" 1
291 1 13 U H5' 1 13 U H6 4.500 . 4.500 4.120 3.741 4.303 . 0 0 "[ . 1 .]" 1
292 1 13 U H6 1 14 C H5 6.000 . 6.000 4.926 4.793 5.183 . 0 0 "[ . 1 .]" 1
293 1 13 U H1' 1 14 C H1' 6.000 . 6.000 5.036 4.892 5.266 . 0 0 "[ . 1 .]" 1
294 1 13 U H1' 1 14 C H6 4.500 . 4.500 4.580 4.477 4.719 0.219 12 0 "[ . 1 .]" 1
295 1 13 U H2' 1 14 C H6 4.500 . 4.500 2.108 2.022 2.154 . 0 0 "[ . 1 .]" 1
296 1 13 U H3' 1 14 C H6 4.500 . 4.500 3.767 3.240 4.008 . 0 0 "[ . 1 .]" 1
297 1 13 U H4' 1 14 C H6 6.000 . 6.000 5.616 5.411 5.697 . 0 0 "[ . 1 .]" 1
298 1 13 U H6 1 14 C H6 6.000 . 6.000 5.141 5.079 5.265 . 0 0 "[ . 1 .]" 1
299 1 14 C H1' 1 14 C H6 4.500 . 4.500 3.617 3.601 3.633 . 0 0 "[ . 1 .]" 1
300 1 14 C H2' 1 14 C H6 4.500 . 4.500 3.548 3.423 3.661 . 0 0 "[ . 1 .]" 1
301 1 14 C H3' 1 14 C H6 4.500 . 4.500 3.016 2.821 3.225 . 0 0 "[ . 1 .]" 1
302 1 14 C H4' 1 14 C H6 6.000 . 6.000 4.157 4.012 4.255 . 0 0 "[ . 1 .]" 1
303 1 14 C H5'' 1 14 C H6 4.500 . 4.500 4.094 3.680 4.336 . 0 0 "[ . 1 .]" 1
304 1 14 C H5' 1 14 C H6 4.500 . 4.500 3.923 3.589 4.173 . 0 0 "[ . 1 .]" 1
305 1 15 A H1' 1 15 A H2 6.000 . 6.000 4.765 4.667 4.884 . 0 0 "[ . 1 .]" 1
306 1 15 A H2 1 15 A H2' 6.000 . 6.000 4.714 4.416 4.932 . 0 0 "[ . 1 .]" 1
307 1 15 A H2 1 16 G H1' 6.000 . 6.000 4.022 3.490 4.935 . 0 0 "[ . 1 .]" 1
308 1 15 A H2 1 17 A H3' 6.000 . 6.000 5.839 4.953 6.006 0.006 4 0 "[ . 1 .]" 1
309 1 15 A H2 1 18 A H8 6.000 . 6.000 5.460 4.758 6.001 0.001 12 0 "[ . 1 .]" 1
310 1 14 C H1' 1 15 A H8 6.000 . 6.000 5.489 5.229 5.760 . 0 0 "[ . 1 .]" 1
311 1 14 C H2' 1 15 A H8 4.500 . 4.500 3.351 2.938 3.841 . 0 0 "[ . 1 .]" 1
312 1 14 C H3' 1 15 A H8 4.500 . 4.500 3.018 2.809 3.217 . 0 0 "[ . 1 .]" 1
313 1 14 C H4' 1 15 A H8 6.000 . 6.000 5.855 5.648 6.008 0.008 11 0 "[ . 1 .]" 1
314 1 14 C H5 1 15 A H8 6.000 . 6.000 3.642 3.221 5.056 . 0 0 "[ . 1 .]" 1
315 1 14 C H6 1 15 A H8 6.000 . 6.000 3.378 2.880 4.364 . 0 0 "[ . 1 .]" 1
316 1 15 A H1' 1 15 A H8 4.500 . 4.500 3.722 3.648 3.776 . 0 0 "[ . 1 .]" 1
317 1 15 A H2' 1 15 A H8 4.500 . 4.500 3.909 3.764 4.056 . 0 0 "[ . 1 .]" 1
318 1 15 A H3' 1 15 A H8 4.500 . 4.500 3.366 3.090 3.678 . 0 0 "[ . 1 .]" 1
319 1 15 A H4' 1 15 A H8 6.000 . 6.000 4.391 4.264 4.522 . 0 0 "[ . 1 .]" 1
320 1 15 A H5'' 1 15 A H8 4.500 . 4.500 2.632 2.232 3.550 . 0 0 "[ . 1 .]" 1
321 1 15 A H5' 1 15 A H8 4.500 . 4.500 4.048 3.586 4.433 . 0 0 "[ . 1 .]" 1
322 1 15 A H8 1 16 G H8 6.000 . 6.000 5.289 4.433 5.668 . 0 0 "[ . 1 .]" 1
323 1 15 A H2' 1 16 G H1' 6.000 . 6.000 3.478 3.181 3.905 . 0 0 "[ . 1 .]" 1
324 1 15 A H3' 1 16 G H21 6.000 . 6.000 3.946 3.327 4.702 . 0 0 "[ . 1 .]" 1
325 1 15 A H5'' 1 16 G H21 6.000 . 6.000 4.544 3.784 5.360 . 0 0 "[ . 1 .]" 1
326 1 15 A H5' 1 16 G H21 6.000 . 6.000 3.993 3.130 5.397 . 0 0 "[ . 1 .]" 1
327 1 15 A H8 1 16 G H21 6.000 . 6.000 5.672 5.061 6.000 0.000 4 0 "[ . 1 .]" 1
328 1 15 A H3' 1 16 G H22 6.000 . 6.000 3.282 2.854 4.023 . 0 0 "[ . 1 .]" 1
329 1 15 A H5'' 1 16 G H22 6.000 . 6.000 4.835 4.180 5.503 . 0 0 "[ . 1 .]" 1
330 1 15 A H5' 1 16 G H22 6.000 . 6.000 3.950 3.258 5.708 . 0 0 "[ . 1 .]" 1
331 1 15 A H8 1 16 G H22 6.000 . 6.000 5.899 5.457 6.010 0.010 4 0 "[ . 1 .]" 1
332 1 15 A H1' 1 16 G H4' 6.000 . 6.000 5.324 4.529 5.934 . 0 0 "[ . 1 .]" 1
333 1 15 A H2' 1 16 G H4' 6.000 . 6.000 3.324 2.973 3.858 . 0 0 "[ . 1 .]" 1
334 1 16 G H4' 1 17 A H2' 6.000 . 6.000 4.172 2.671 5.163 . 0 0 "[ . 1 .]" 1
335 1 16 G H4' 1 17 A H4' 6.000 . 6.000 5.573 4.357 6.006 0.006 1 0 "[ . 1 .]" 1
336 1 15 A H1' 1 16 G H8 6.000 . 6.000 5.911 5.562 6.023 0.023 4 0 "[ . 1 .]" 1
337 1 15 A H2' 1 16 G H8 6.000 . 6.000 4.370 3.997 4.741 . 0 0 "[ . 1 .]" 1
338 1 15 A H3' 1 16 G H8 6.000 . 6.000 5.643 5.299 5.972 . 0 0 "[ . 1 .]" 1
339 1 16 G H1' 1 16 G H8 3.000 . 3.000 2.572 2.562 2.604 . 0 0 "[ . 1 .]" 1
340 1 16 G H2' 1 16 G H8 4.500 . 4.500 4.406 4.264 4.525 0.025 2 0 "[ . 1 .]" 1
341 1 16 G H4' 1 16 G H8 6.000 . 6.000 5.337 5.216 5.554 . 0 0 "[ . 1 .]" 1
342 1 16 G H3' 1 17 A H8 6.000 . 6.000 4.324 2.998 5.218 . 0 0 "[ . 1 .]" 1
343 1 16 G H4' 1 17 A H8 6.000 . 6.000 2.626 2.306 3.316 . 0 0 "[ . 1 .]" 1
344 1 17 A H1' 1 17 A H8 4.500 . 4.500 3.878 3.856 3.890 . 0 0 "[ . 1 .]" 1
345 1 17 A H2' 1 17 A H8 4.500 . 4.500 2.505 2.186 3.257 . 0 0 "[ . 1 .]" 1
346 1 17 A H3' 1 17 A H8 4.500 . 4.500 3.535 2.174 4.446 . 0 0 "[ . 1 .]" 1
347 1 17 A H4' 1 17 A H8 6.000 . 6.000 4.550 4.031 4.996 . 0 0 "[ . 1 .]" 1
348 1 17 A H8 1 18 A H8 6.000 . 6.000 5.483 4.434 6.024 0.024 1 0 "[ . 1 .]" 1
349 1 17 A H2' 1 18 A H1' 4.500 . 4.500 3.623 2.681 4.371 . 0 0 "[ . 1 .]" 1
350 1 16 G H4' 1 18 A H2 6.000 . 6.000 5.736 5.264 6.027 0.027 4 0 "[ . 1 .]" 1
351 1 16 G H5'' 1 18 A H2 6.000 . 6.000 5.749 4.885 6.019 0.019 12 0 "[ . 1 .]" 1
352 1 16 G H5' 1 18 A H2 6.000 . 6.000 4.857 4.252 5.405 . 0 0 "[ . 1 .]" 1
353 1 18 A H2 1 19 G H1' 6.000 . 6.000 5.084 4.076 5.880 . 0 0 "[ . 1 .]" 1
354 1 17 A H1' 1 18 A H8 6.000 . 6.000 5.661 4.897 6.012 0.012 15 0 "[ . 1 .]" 1
355 1 17 A H2' 1 18 A H8 4.500 . 4.500 3.557 3.182 4.007 . 0 0 "[ . 1 .]" 1
356 1 17 A H3' 1 18 A H8 4.500 . 4.500 2.929 2.423 3.777 . 0 0 "[ . 1 .]" 1
357 1 18 A H1' 1 18 A H8 4.500 . 4.500 3.867 3.806 3.887 . 0 0 "[ . 1 .]" 1
358 1 18 A H2' 1 18 A H8 4.500 . 4.500 3.381 3.109 3.763 . 0 0 "[ . 1 .]" 1
359 1 18 A H3' 1 18 A H8 4.500 . 4.500 2.339 2.195 2.679 . 0 0 "[ . 1 .]" 1
360 1 18 A H4' 1 18 A H8 6.000 . 6.000 4.146 3.971 4.346 . 0 0 "[ . 1 .]" 1
361 1 18 A Q5' 1 18 A H8 6.000 . 6.000 2.657 2.175 3.195 . 0 0 "[ . 1 .]" 1
362 1 18 A H8 1 19 G H1' 6.000 . 6.000 5.954 5.778 6.031 0.031 6 0 "[ . 1 .]" 1
363 1 18 A H8 1 19 G H8 6.000 . 6.000 4.008 3.576 4.377 . 0 0 "[ . 1 .]" 1
364 1 14 C H1' 1 19 G H1 6.000 . 6.000 5.574 5.219 5.751 . 0 0 "[ . 1 .]" 1
365 1 14 C H2' 1 19 G H1 6.000 . 6.000 5.503 5.238 5.707 . 0 0 "[ . 1 .]" 1
366 1 14 C H41 1 19 G H1 3.000 . 3.000 1.934 1.765 2.533 0.035 6 0 "[ . 1 .]" 1
367 1 14 C H42 1 19 G H1 4.000 3.000 5.000 3.529 3.367 4.059 . 0 0 "[ . 1 .]" 1
368 1 14 C H5 1 19 G H1 6.000 . 6.000 4.786 4.666 5.091 . 0 0 "[ . 1 .]" 1
369 1 15 A H1' 1 19 G H1 6.000 . 6.000 3.416 3.084 3.853 . 0 0 "[ . 1 .]" 1
370 1 15 A H2' 1 19 G H1 6.000 . 6.000 5.640 5.340 6.032 0.032 4 0 "[ . 1 .]" 1
371 1 15 A H2 1 19 G H1 6.000 . 6.000 4.270 3.591 5.088 . 0 0 "[ . 1 .]" 1
372 1 19 G H1 1 20 A H2 6.000 . 6.000 5.430 5.035 5.882 . 0 0 "[ . 1 .]" 1
373 1 19 G H1 1 20 A H61 6.000 . 6.000 4.829 4.461 5.140 . 0 0 "[ . 1 .]" 1
374 1 18 A H1' 1 19 G H8 6.000 . 6.000 5.012 4.838 5.244 . 0 0 "[ . 1 .]" 1
375 1 18 A H2' 1 19 G H8 4.500 . 4.500 2.357 2.202 2.514 . 0 0 "[ . 1 .]" 1
376 1 18 A H3' 1 19 G H8 4.500 . 4.500 2.604 2.196 3.020 . 0 0 "[ . 1 .]" 1
377 1 18 A H4' 1 19 G H8 6.000 . 6.000 5.207 4.784 5.553 . 0 0 "[ . 1 .]" 1
378 1 19 G H1' 1 19 G H8 4.500 . 4.500 3.758 3.718 3.812 . 0 0 "[ . 1 .]" 1
379 1 19 G H2' 1 19 G H8 4.500 . 4.500 3.774 3.601 3.947 . 0 0 "[ . 1 .]" 1
380 1 19 G H3' 1 19 G H8 4.500 . 4.500 3.180 2.861 3.492 . 0 0 "[ . 1 .]" 1
381 1 19 G H4' 1 19 G H8 6.000 . 6.000 4.409 4.271 4.527 . 0 0 "[ . 1 .]" 1
382 1 19 G H5'' 1 19 G H8 4.500 . 4.500 4.247 3.811 4.495 . 0 0 "[ . 1 .]" 1
383 1 19 G H5' 1 19 G H8 4.500 . 4.500 4.045 3.670 4.328 . 0 0 "[ . 1 .]" 1
384 1 19 G H8 1 20 A H8 6.000 . 6.000 5.932 5.679 6.034 0.034 6 0 "[ . 1 .]" 1
385 1 19 G H1' 1 20 A H1' 6.000 . 6.000 5.158 4.741 5.541 . 0 0 "[ . 1 .]" 1
386 1 14 C H1' 1 20 A H2 4.500 . 4.500 4.058 3.596 4.407 . 0 0 "[ . 1 .]" 1
387 1 20 A H1' 1 20 A H2 6.000 . 6.000 4.706 4.657 4.767 . 0 0 "[ . 1 .]" 1
388 1 20 A H2 1 21 A H1' 4.500 . 4.500 2.912 2.288 3.748 . 0 0 "[ . 1 .]" 1
389 1 20 A H2 1 21 A H2 6.000 . 6.000 4.150 3.909 4.525 . 0 0 "[ . 1 .]" 1
390 1 19 G H1' 1 20 A H8 4.500 . 4.500 4.461 4.249 4.587 0.087 7 0 "[ . 1 .]" 1
391 1 19 G H2' 1 20 A H8 3.000 . 3.000 2.227 2.160 2.410 . 0 0 "[ . 1 .]" 1
392 1 19 G H3' 1 20 A H8 4.500 . 4.500 3.738 3.309 3.997 . 0 0 "[ . 1 .]" 1
393 1 19 G H4' 1 20 A H8 6.000 . 6.000 5.045 4.879 5.394 . 0 0 "[ . 1 .]" 1
394 1 20 A H1' 1 20 A H8 4.500 . 4.500 3.760 3.724 3.794 . 0 0 "[ . 1 .]" 1
395 1 20 A H2' 1 20 A H8 4.500 . 4.500 3.913 3.805 4.069 . 0 0 "[ . 1 .]" 1
396 1 20 A H3' 1 20 A H8 4.500 . 4.500 2.992 2.725 3.405 . 0 0 "[ . 1 .]" 1
397 1 20 A H4' 1 20 A H8 6.000 . 6.000 4.123 4.031 4.247 . 0 0 "[ . 1 .]" 1
398 1 20 A H5'' 1 20 A H8 4.500 . 4.500 3.583 3.434 3.815 . 0 0 "[ . 1 .]" 1
399 1 20 A H5' 1 20 A H8 4.500 . 4.500 3.410 3.167 3.789 . 0 0 "[ . 1 .]" 1
400 1 20 A H1' 1 21 A H1' 6.000 . 6.000 4.698 4.184 5.237 . 0 0 "[ . 1 .]" 1
401 1 13 U H1' 1 21 A H2 4.500 . 4.500 3.854 3.616 4.260 . 0 0 "[ . 1 .]" 1
402 1 21 A H1' 1 21 A H2 6.000 . 6.000 4.720 4.626 4.811 . 0 0 "[ . 1 .]" 1
403 1 21 A H2 1 22 C H1' 4.500 . 4.500 3.349 3.020 4.029 . 0 0 "[ . 1 .]" 1
404 1 21 A H2 1 22 C H6 6.000 . 6.000 5.451 5.066 5.902 . 0 0 "[ . 1 .]" 1
405 1 20 A H1' 1 21 A H8 4.500 . 4.500 4.579 4.540 4.637 0.137 3 0 "[ . 1 .]" 1
406 1 20 A H2' 1 21 A H8 3.000 . 3.000 2.126 2.070 2.156 . 0 0 "[ . 1 .]" 1
407 1 20 A H3' 1 21 A H8 4.500 . 4.500 3.297 2.728 3.676 . 0 0 "[ . 1 .]" 1
408 1 20 A H4' 1 21 A H8 6.000 . 6.000 5.638 5.348 5.818 . 0 0 "[ . 1 .]" 1
409 1 20 A H8 1 21 A H8 6.000 . 6.000 5.013 4.428 6.001 0.001 1 0 "[ . 1 .]" 1
410 1 21 A H1' 1 21 A H8 4.500 . 4.500 3.749 3.688 3.801 . 0 0 "[ . 1 .]" 1
411 1 21 A H2' 1 21 A H8 4.500 . 4.500 3.739 3.632 3.833 . 0 0 "[ . 1 .]" 1
412 1 21 A H3' 1 21 A H8 4.500 . 4.500 3.391 2.898 3.724 . 0 0 "[ . 1 .]" 1
413 1 21 A H4' 1 21 A H8 6.000 . 6.000 4.445 4.140 4.542 . 0 0 "[ . 1 .]" 1
414 1 21 A H5'' 1 21 A H8 4.500 . 4.500 4.294 3.484 4.579 0.079 9 0 "[ . 1 .]" 1
415 1 21 A H5' 1 21 A H8 4.500 . 4.500 4.156 3.549 4.365 . 0 0 "[ . 1 .]" 1
416 1 21 A H1' 1 22 C H1' 6.000 . 6.000 4.933 4.522 5.611 . 0 0 "[ . 1 .]" 1
417 1 21 A H1' 1 22 C H5 6.000 . 6.000 5.564 5.269 5.938 . 0 0 "[ . 1 .]" 1
418 1 21 A H2' 1 22 C H5 4.500 . 4.500 2.775 2.429 3.276 . 0 0 "[ . 1 .]" 1
419 1 21 A H3' 1 22 C H5 4.500 . 4.500 3.514 3.012 3.806 . 0 0 "[ . 1 .]" 1
420 1 22 C H2' 1 22 C H5 6.000 . 6.000 5.236 5.156 5.316 . 0 0 "[ . 1 .]" 1
421 1 22 C H3' 1 22 C H5 6.000 . 6.000 4.323 4.218 4.450 . 0 0 "[ . 1 .]" 1
422 1 22 C H5 1 23 G H8 6.000 . 6.000 5.593 5.284 5.970 . 0 0 "[ . 1 .]" 1
423 1 21 A H1' 1 22 C H6 4.500 . 4.500 4.465 4.245 4.609 0.109 11 0 "[ . 1 .]" 1
424 1 21 A H2' 1 22 C H6 3.000 . 3.000 2.244 2.166 2.329 . 0 0 "[ . 1 .]" 1
425 1 21 A H3' 1 22 C H6 4.500 . 4.500 3.738 3.607 3.822 . 0 0 "[ . 1 .]" 1
426 1 21 A H4' 1 22 C H6 6.000 . 6.000 5.193 5.027 5.473 . 0 0 "[ . 1 .]" 1
427 1 21 A H8 1 22 C H6 6.000 . 6.000 5.931 5.669 6.084 0.084 13 0 "[ . 1 .]" 1
428 1 22 C H1' 1 22 C H6 4.500 . 4.500 3.610 3.573 3.642 . 0 0 "[ . 1 .]" 1
429 1 22 C H2' 1 22 C H6 4.500 . 4.500 3.787 3.673 3.912 . 0 0 "[ . 1 .]" 1
430 1 22 C H3' 1 22 C H6 4.500 . 4.500 2.587 2.400 2.724 . 0 0 "[ . 1 .]" 1
431 1 22 C H4' 1 22 C H6 6.000 . 6.000 3.782 3.750 3.870 . 0 0 "[ . 1 .]" 1
432 1 22 C H5'' 1 22 C H6 4.500 . 4.500 3.242 3.146 3.407 . 0 0 "[ . 1 .]" 1
433 1 22 C H5' 1 22 C H6 4.500 . 4.500 3.277 3.151 3.401 . 0 0 "[ . 1 .]" 1
434 1 22 C H1' 1 23 G H1' 6.000 . 6.000 4.988 4.637 5.431 . 0 0 "[ . 1 .]" 1
435 1 9 A H2 1 23 G H1 6.000 . 6.000 4.395 4.011 4.643 . 0 0 "[ . 1 .]" 1
436 1 9 A H62 1 23 G H1 6.000 . 6.000 5.658 5.243 6.015 0.015 7 0 "[ . 1 .]" 1
437 1 10 U H1' 1 23 G H1 6.000 . 6.000 4.159 3.979 4.371 . 0 0 "[ . 1 .]" 1
438 1 10 U H2' 1 23 G H1 6.000 . 6.000 4.904 4.469 5.443 . 0 0 "[ . 1 .]" 1
439 1 10 U H5 1 23 G H1 6.000 . 6.000 6.065 6.007 6.109 0.109 12 0 "[ . 1 .]" 1
440 1 11 G H1' 1 23 G H1 4.500 . 4.500 4.197 3.748 4.524 0.024 11 0 "[ . 1 .]" 1
441 1 11 G H8 1 23 G H1 6.000 . 6.000 4.774 4.390 5.060 . 0 0 "[ . 1 .]" 1
442 1 23 G H1 1 23 G H2' 6.000 . 6.000 5.757 5.570 5.971 . 0 0 "[ . 1 .]" 1
443 1 23 G H1 1 24 U H1' 4.500 . 4.500 4.554 4.432 4.603 0.103 3 0 "[ . 1 .]" 1
444 1 23 G H1 1 24 U H3 4.500 . 4.500 3.450 3.071 3.756 . 0 0 "[ . 1 .]" 1
445 1 23 G H1 1 24 U H5 6.000 . 6.000 5.687 5.027 6.053 0.053 5 0 "[ . 1 .]" 1
446 1 23 G H1 1 24 U H6 6.000 . 6.000 5.711 5.214 6.016 0.016 5 0 "[ . 1 .]" 1
447 1 22 C H1' 1 23 G H8 4.500 . 4.500 4.525 4.448 4.593 0.093 12 0 "[ . 1 .]" 1
448 1 22 C H2' 1 23 G H8 3.000 . 3.000 2.154 2.119 2.186 . 0 0 "[ . 1 .]" 1
449 1 22 C H3' 1 23 G H8 4.500 . 4.500 3.597 3.365 3.776 . 0 0 "[ . 1 .]" 1
450 1 22 C H4' 1 23 G H8 6.000 . 6.000 5.878 5.774 5.936 . 0 0 "[ . 1 .]" 1
451 1 22 C H6 1 23 G H8 6.000 . 6.000 5.012 4.815 5.255 . 0 0 "[ . 1 .]" 1
452 1 23 G H1' 1 23 G H8 4.500 . 4.500 3.711 3.676 3.753 . 0 0 "[ . 1 .]" 1
453 1 23 G H2' 1 23 G H8 4.500 . 4.500 3.882 3.798 3.943 . 0 0 "[ . 1 .]" 1
454 1 23 G H3' 1 23 G H8 4.500 . 4.500 3.384 3.148 3.585 . 0 0 "[ . 1 .]" 1
455 1 23 G H4' 1 23 G H8 6.000 . 6.000 4.510 4.427 4.561 . 0 0 "[ . 1 .]" 1
456 1 23 G H5'' 1 23 G H8 4.500 . 4.500 4.484 4.275 4.601 0.101 9 0 "[ . 1 .]" 1
457 1 23 G H5' 1 23 G H8 4.500 . 4.500 4.338 4.179 4.434 . 0 0 "[ . 1 .]" 1
458 1 23 G H1' 1 24 U H1' 6.000 . 6.000 5.920 5.744 6.051 0.051 12 0 "[ . 1 .]" 1
459 1 8 C H41 1 24 U H3 6.000 . 6.000 4.215 3.663 4.383 . 0 0 "[ . 1 .]" 1
460 1 9 A H2 1 24 U H3 3.000 . 3.000 2.789 2.408 3.042 0.042 3 0 "[ . 1 .]" 1
461 1 9 A H61 1 24 U H3 3.000 . 3.000 2.421 2.075 2.809 . 0 0 "[ . 1 .]" 1
462 1 9 A H62 1 24 U H3 4.000 3.000 5.000 3.916 3.592 4.233 . 0 0 "[ . 1 .]" 1
463 1 10 U H1' 1 24 U H3 6.000 . 6.000 5.493 5.128 5.794 . 0 0 "[ . 1 .]" 1
464 1 10 U H3 1 24 U H3 4.500 . 4.500 3.917 3.147 4.480 . 0 0 "[ . 1 .]" 1
465 1 24 U H1' 1 24 U H3 6.000 . 6.000 4.512 4.500 4.528 . 0 0 "[ . 1 .]" 1
466 1 24 U H2' 1 24 U H3 6.000 . 6.000 4.762 4.672 4.939 . 0 0 "[ . 1 .]" 1
467 1 24 U H3 1 25 G H1' 6.000 . 6.000 5.762 5.326 6.050 0.050 12 0 "[ . 1 .]" 1
468 1 24 U H3 1 25 G H1 6.000 . 6.000 4.333 4.066 4.720 . 0 0 "[ . 1 .]" 1
469 1 24 U H3 1 25 G H8 6.000 . 6.000 4.885 4.517 5.607 . 0 0 "[ . 1 .]" 1
470 1 23 G H1' 1 24 U H5 6.000 . 6.000 5.419 5.259 5.625 . 0 0 "[ . 1 .]" 1
471 1 23 G H2' 1 24 U H5 4.500 . 4.500 3.135 2.540 4.000 . 0 0 "[ . 1 .]" 1
472 1 23 G H3' 1 24 U H5 4.500 . 4.500 3.468 2.970 4.126 . 0 0 "[ . 1 .]" 1
473 1 23 G H8 1 24 U H5 6.000 . 6.000 4.346 3.293 5.102 . 0 0 "[ . 1 .]" 1
474 1 24 U H2' 1 24 U H5 6.000 . 6.000 4.939 4.544 5.208 . 0 0 "[ . 1 .]" 1
475 1 24 U H3' 1 24 U H5 6.000 . 6.000 4.653 4.104 5.642 . 0 0 "[ . 1 .]" 1
476 1 24 U H5 1 25 G H8 6.000 . 6.000 5.285 4.379 6.110 0.110 13 0 "[ . 1 .]" 1
477 1 23 G H1' 1 24 U H6 4.500 . 4.500 4.594 4.562 4.626 0.126 3 0 "[ . 1 .]" 1
478 1 23 G H2' 1 24 U H6 3.000 . 3.000 2.119 2.059 2.158 . 0 0 "[ . 1 .]" 1
479 1 23 G H3' 1 24 U H6 4.500 . 4.500 3.541 2.956 3.753 . 0 0 "[ . 1 .]" 1
480 1 23 G H8 1 24 U H6 6.000 . 6.000 5.263 4.250 5.988 . 0 0 "[ . 1 .]" 1
481 1 24 U H1' 1 24 U H6 4.500 . 4.500 3.652 3.637 3.670 . 0 0 "[ . 1 .]" 1
482 1 24 U H2' 1 24 U H6 4.500 . 4.500 3.385 2.917 3.678 . 0 0 "[ . 1 .]" 1
483 1 24 U H3' 1 24 U H6 4.500 . 4.500 2.672 2.201 3.524 . 0 0 "[ . 1 .]" 1
484 1 24 U H4' 1 24 U H6 6.000 . 6.000 3.977 3.702 4.353 . 0 0 "[ . 1 .]" 1
485 1 24 U H5'' 1 24 U H6 4.500 . 4.500 3.846 3.249 4.589 0.089 7 0 "[ . 1 .]" 1
486 1 24 U H5' 1 24 U H6 4.500 . 4.500 3.510 3.132 4.076 . 0 0 "[ . 1 .]" 1
487 1 24 U H1' 1 25 G H1' 6.000 . 6.000 5.944 5.727 6.045 0.045 10 0 "[ . 1 .]" 1
488 1 7 C H41 1 25 G H1 6.000 . 6.000 3.997 3.322 4.370 . 0 0 "[ . 1 .]" 1
489 1 8 C H1' 1 25 G H1 6.000 . 6.000 5.411 4.966 5.780 . 0 0 "[ . 1 .]" 1
490 1 8 C H2' 1 25 G H1 6.000 . 6.000 5.652 5.365 5.794 . 0 0 "[ . 1 .]" 1
491 1 8 C H41 1 25 G H1 3.000 . 3.000 2.043 1.797 2.735 0.003 2 0 "[ . 1 .]" 1
492 1 8 C H42 1 25 G H1 4.000 3.000 5.000 3.615 3.377 4.219 . 0 0 "[ . 1 .]" 1
493 1 8 C H5 1 25 G H1 6.000 . 6.000 4.814 4.636 5.151 . 0 0 "[ . 1 .]" 1
494 1 8 C H6 1 25 G H1 6.000 . 6.000 5.710 5.610 5.900 . 0 0 "[ . 1 .]" 1
495 1 9 A H1' 1 25 G H1 6.000 . 6.000 5.564 4.805 6.031 0.031 12 0 "[ . 1 .]" 1
496 1 9 A H2 1 25 G H1 6.000 . 6.000 4.533 4.172 4.960 . 0 0 "[ . 1 .]" 1
497 1 9 A H61 1 25 G H1 6.000 . 6.000 3.850 3.294 4.489 . 0 0 "[ . 1 .]" 1
498 1 9 A H62 1 25 G H1 6.000 . 6.000 3.833 2.975 4.769 . 0 0 "[ . 1 .]" 1
499 1 25 G H1 1 25 G H21 3.000 . 3.000 2.215 2.211 2.220 . 0 0 "[ . 1 .]" 1
500 1 25 G H1 1 26 G H1' 6.000 . 6.000 5.879 5.451 6.078 0.078 1 0 "[ . 1 .]" 1
501 1 25 G H1 1 26 G H21 6.000 . 6.000 4.739 4.186 5.214 . 0 0 "[ . 1 .]" 1
502 1 25 G H1 1 26 G H22 6.000 . 6.000 5.310 4.682 5.856 . 0 0 "[ . 1 .]" 1
503 1 25 G H1 1 26 G H8 6.000 . 6.000 5.862 5.350 6.040 0.040 2 0 "[ . 1 .]" 1
504 1 24 U H1' 1 25 G H8 4.500 . 4.500 4.382 3.591 4.642 0.142 15 0 "[ . 1 .]" 1
505 1 24 U H2' 1 25 G H8 3.000 . 3.000 2.135 2.083 2.175 . 0 0 "[ . 1 .]" 1
506 1 24 U H3' 1 25 G H8 4.500 . 4.500 3.279 2.655 4.126 . 0 0 "[ . 1 .]" 1
507 1 24 U H4' 1 25 G H8 6.000 . 6.000 5.424 5.244 5.620 . 0 0 "[ . 1 .]" 1
508 1 24 U H6 1 25 G H8 6.000 . 6.000 4.444 3.770 5.143 . 0 0 "[ . 1 .]" 1
509 1 25 G H1' 1 25 G H8 4.500 . 4.500 3.819 3.786 3.851 . 0 0 "[ . 1 .]" 1
510 1 25 G H2' 1 25 G H8 4.500 . 4.500 3.598 3.324 3.805 . 0 0 "[ . 1 .]" 1
511 1 25 G H3' 1 25 G H8 4.500 . 4.500 2.777 2.412 3.819 . 0 0 "[ . 1 .]" 1
512 1 25 G H4' 1 25 G H8 6.000 . 6.000 4.376 4.259 4.607 . 0 0 "[ . 1 .]" 1
513 1 25 G H5'' 1 25 G H8 4.500 . 4.500 4.367 4.055 4.635 0.135 1 0 "[ . 1 .]" 1
514 1 25 G H5' 1 25 G H8 4.500 . 4.500 3.796 3.432 4.435 . 0 0 "[ . 1 .]" 1
515 1 25 G H1' 1 26 G H1' 6.000 . 6.000 5.672 5.289 6.018 0.018 6 0 "[ . 1 .]" 1
516 1 6 A H2 1 26 G H1 6.000 . 6.000 4.443 4.193 4.704 . 0 0 "[ . 1 .]" 1
517 1 6 A H61 1 26 G H1 6.000 . 6.000 4.564 4.123 5.077 . 0 0 "[ . 1 .]" 1
518 1 6 A H62 1 26 G H1 6.000 . 6.000 5.411 4.899 5.956 . 0 0 "[ . 1 .]" 1
519 1 7 C H1' 1 26 G H1 6.000 . 6.000 4.928 4.656 5.406 . 0 0 "[ . 1 .]" 1
520 1 7 C H2' 1 26 G H1 6.000 . 6.000 5.243 4.909 5.725 . 0 0 "[ . 1 .]" 1
521 1 7 C H41 1 26 G H1 3.000 . 3.000 2.772 2.001 3.020 0.020 2 0 "[ . 1 .]" 1
522 1 7 C H42 1 26 G H1 4.000 3.000 5.000 4.242 3.577 4.463 . 0 0 "[ . 1 .]" 1
523 1 7 C H5 1 26 G H1 6.000 . 6.000 5.151 4.788 5.287 . 0 0 "[ . 1 .]" 1
524 1 8 C H1' 1 26 G H1 6.000 . 6.000 5.764 5.052 6.033 0.033 15 0 "[ . 1 .]" 1
525 1 8 C H41 1 26 G H1 6.000 . 6.000 3.534 2.897 3.824 . 0 0 "[ . 1 .]" 1
526 1 8 C H42 1 26 G H1 6.000 . 6.000 4.065 3.483 4.350 . 0 0 "[ . 1 .]" 1
527 1 8 C H5 1 26 G H1 6.000 . 6.000 4.734 4.453 5.002 . 0 0 "[ . 1 .]" 1
528 1 8 C H6 1 26 G H1 6.000 . 6.000 5.598 5.170 5.891 . 0 0 "[ . 1 .]" 1
529 1 25 G H1 1 26 G H1 6.000 . 6.000 3.573 3.220 3.795 . 0 0 "[ . 1 .]" 1
530 1 25 G H21 1 26 G H1 6.000 . 6.000 4.615 4.059 4.787 . 0 0 "[ . 1 .]" 1
531 1 25 G H22 1 26 G H1 6.000 . 6.000 5.894 5.315 6.042 0.042 2 0 "[ . 1 .]" 1
532 1 26 G H1 1 27 U H1' 6.000 . 6.000 5.862 5.525 6.039 0.039 12 0 "[ . 1 .]" 1
533 1 26 G H1 1 27 U H5 6.000 . 6.000 6.002 5.835 6.039 0.039 6 0 "[ . 1 .]" 1
534 1 25 G H1' 1 26 G H8 4.500 . 4.500 4.435 3.385 4.641 0.141 8 0 "[ . 1 .]" 1
535 1 25 G H2' 1 26 G H8 3.000 . 3.000 2.120 2.075 2.167 . 0 0 "[ . 1 .]" 1
536 1 25 G H3' 1 26 G H8 4.500 . 4.500 3.320 2.965 4.209 . 0 0 "[ . 1 .]" 1
537 1 25 G H4' 1 26 G H8 6.000 . 6.000 5.570 5.241 5.769 . 0 0 "[ . 1 .]" 1
538 1 25 G H8 1 26 G H8 6.000 . 6.000 4.246 3.837 5.155 . 0 0 "[ . 1 .]" 1
539 1 26 G H1' 1 26 G H8 4.500 . 4.500 3.773 3.757 3.804 . 0 0 "[ . 1 .]" 1
540 1 26 G H2' 1 26 G H8 4.500 . 4.500 3.630 3.413 3.732 . 0 0 "[ . 1 .]" 1
541 1 26 G H3' 1 26 G H8 4.500 . 4.500 3.288 2.895 3.496 . 0 0 "[ . 1 .]" 1
542 1 26 G H4' 1 26 G H8 6.000 . 6.000 4.517 4.340 4.569 . 0 0 "[ . 1 .]" 1
543 1 26 G H5'' 1 26 G H8 4.500 . 4.500 4.540 4.426 4.584 0.084 12 0 "[ . 1 .]" 1
544 1 26 G H5' 1 26 G H8 4.500 . 4.500 4.284 3.452 4.497 . 0 0 "[ . 1 .]" 1
545 1 26 G H1' 1 27 U H1' 6.000 . 6.000 5.946 5.785 6.046 0.046 5 0 "[ . 1 .]" 1
546 1 27 U H2' 1 28 A H1' 4.500 . 4.500 4.426 4.230 4.535 0.035 11 0 "[ . 1 .]" 1
547 1 5 U H3 1 27 U H3 6.000 . 6.000 5.803 5.480 6.012 0.012 7 0 "[ . 1 .]" 1
548 1 6 A H2 1 27 U H3 3.000 . 3.000 2.517 2.326 2.681 . 0 0 "[ . 1 .]" 1
549 1 6 A H61 1 27 U H3 3.000 . 3.000 2.876 2.664 3.019 0.019 2 0 "[ . 1 .]" 1
550 1 6 A H62 1 27 U H3 4.000 3.000 5.000 4.331 4.143 4.441 . 0 0 "[ . 1 .]" 1
551 1 7 C H1' 1 27 U H3 6.000 . 6.000 5.972 5.816 6.039 0.039 1 0 "[ . 1 .]" 1
552 1 7 C H41 1 27 U H3 6.000 . 6.000 4.947 4.523 5.140 . 0 0 "[ . 1 .]" 1
553 1 26 G H1 1 27 U H3 4.500 . 4.500 3.716 3.537 3.828 . 0 0 "[ . 1 .]" 1
554 1 26 G H21 1 27 U H3 6.000 . 6.000 4.227 3.885 4.527 . 0 0 "[ . 1 .]" 1
555 1 26 G H22 1 27 U H3 6.000 . 6.000 4.838 4.487 5.278 . 0 0 "[ . 1 .]" 1
556 1 27 U H1' 1 27 U H3 6.000 . 6.000 4.501 4.482 4.518 . 0 0 "[ . 1 .]" 1
557 1 27 U H3 1 28 A H1' 6.000 . 6.000 5.248 5.016 5.423 . 0 0 "[ . 1 .]" 1
558 1 27 U H3 1 28 A H2 6.000 . 6.000 5.551 5.334 5.783 . 0 0 "[ . 1 .]" 1
559 1 27 U H3 1 28 A H61 6.000 . 6.000 4.767 4.472 5.284 . 0 0 "[ . 1 .]" 1
560 1 27 U H3 1 28 A H62 6.000 . 6.000 4.142 3.867 4.731 . 0 0 "[ . 1 .]" 1
561 1 27 U H3 1 28 A H8 6.000 . 6.000 4.535 4.378 4.746 . 0 0 "[ . 1 .]" 1
562 1 26 G H1' 1 27 U H5 6.000 . 6.000 5.039 4.847 5.566 . 0 0 "[ . 1 .]" 1
563 1 26 G H2' 1 27 U H5 4.500 . 4.500 2.387 2.189 3.155 . 0 0 "[ . 1 .]" 1
564 1 26 G H3' 1 27 U H5 4.500 . 4.500 3.429 3.264 3.634 . 0 0 "[ . 1 .]" 1
565 1 26 G H8 1 27 U H5 6.000 . 6.000 4.390 4.077 4.540 . 0 0 "[ . 1 .]" 1
566 1 27 U H2' 1 27 U H5 6.000 . 6.000 5.013 4.917 5.147 . 0 0 "[ . 1 .]" 1
567 1 27 U H3' 1 27 U H5 6.000 . 6.000 4.258 4.181 4.443 . 0 0 "[ . 1 .]" 1
568 1 27 U H5 1 28 A H8 6.000 . 6.000 4.866 4.654 5.094 . 0 0 "[ . 1 .]" 1
569 1 26 G H1' 1 27 U H6 6.000 . 6.000 4.543 4.377 4.814 . 0 0 "[ . 1 .]" 1
570 1 26 G H2' 1 27 U H6 3.000 . 3.000 2.183 2.164 2.214 . 0 0 "[ . 1 .]" 1
571 1 26 G H3' 1 27 U H6 4.500 . 4.500 3.867 3.704 3.939 . 0 0 "[ . 1 .]" 1
572 1 26 G H4' 1 27 U H6 6.000 . 6.000 5.427 5.268 5.698 . 0 0 "[ . 1 .]" 1
573 1 26 G H8 1 27 U H6 6.000 . 6.000 5.671 5.359 5.853 . 0 0 "[ . 1 .]" 1
574 1 27 U H1' 1 27 U H6 4.500 . 4.500 3.673 3.652 3.693 . 0 0 "[ . 1 .]" 1
575 1 27 U H2' 1 27 U H6 4.500 . 4.500 3.467 3.351 3.626 . 0 0 "[ . 1 .]" 1
576 1 27 U H3' 1 27 U H6 4.500 . 4.500 2.292 2.201 2.427 . 0 0 "[ . 1 .]" 1
577 1 27 U H4' 1 27 U H6 6.000 . 6.000 3.883 3.822 4.003 . 0 0 "[ . 1 .]" 1
578 1 27 U H5'' 1 27 U H6 4.500 . 4.500 3.622 3.449 3.841 . 0 0 "[ . 1 .]" 1
579 1 27 U H5' 1 27 U H6 4.500 . 4.500 3.353 3.142 3.567 . 0 0 "[ . 1 .]" 1
580 1 27 U H1' 1 28 A H1' 6.000 . 6.000 5.678 5.200 6.019 0.019 11 0 "[ . 1 .]" 1
581 1 6 A H1' 1 28 A H2 4.500 . 4.500 4.437 4.300 4.524 0.024 1 0 "[ . 1 .]" 1
582 1 6 A H8 1 28 A H2 6.000 . 6.000 5.831 5.583 6.004 0.004 1 0 "[ . 1 .]" 1
583 1 28 A H1' 1 28 A H2 6.000 . 6.000 4.592 4.528 4.651 . 0 0 "[ . 1 .]" 1
584 1 28 A H2 1 29 U H1' 4.500 . 4.500 4.408 4.004 4.525 0.025 15 0 "[ . 1 .]" 1
585 1 28 A H2 1 29 U H5 6.000 . 6.000 5.418 4.975 5.861 . 0 0 "[ . 1 .]" 1
586 1 28 A H2 1 29 U H6 6.000 . 6.000 5.325 4.891 5.757 . 0 0 "[ . 1 .]" 1
587 1 27 U H1' 1 28 A H8 4.500 . 4.500 4.562 4.533 4.615 0.115 12 0 "[ . 1 .]" 1
588 1 27 U H2' 1 28 A H8 3.000 . 3.000 2.149 2.109 2.161 . 0 0 "[ . 1 .]" 1
589 1 27 U H3' 1 28 A H8 4.500 . 4.500 3.395 3.145 3.662 . 0 0 "[ . 1 .]" 1
590 1 27 U H4' 1 28 A H8 6.000 . 6.000 5.793 5.649 5.900 . 0 0 "[ . 1 .]" 1
591 1 27 U H6 1 28 A H8 6.000 . 6.000 4.283 4.097 4.435 . 0 0 "[ . 1 .]" 1
592 1 28 A H1' 1 28 A H8 4.500 . 4.500 3.812 3.791 3.839 . 0 0 "[ . 1 .]" 1
593 1 28 A H2' 1 28 A H8 4.500 . 4.500 3.382 3.126 3.569 . 0 0 "[ . 1 .]" 1
594 1 28 A H3' 1 28 A H8 4.500 . 4.500 3.373 3.009 3.780 . 0 0 "[ . 1 .]" 1
595 1 28 A H4' 1 28 A H8 6.000 . 6.000 4.545 4.468 4.598 . 0 0 "[ . 1 .]" 1
596 1 28 A H5'' 1 28 A H8 4.500 . 4.500 4.569 4.520 4.617 0.117 7 0 "[ . 1 .]" 1
597 1 28 A H5' 1 28 A H8 4.500 . 4.500 4.179 3.826 4.395 . 0 0 "[ . 1 .]" 1
598 1 28 A H1' 1 29 U H1' 6.000 . 6.000 5.463 4.778 5.870 . 0 0 "[ . 1 .]" 1
599 1 3 G H1 1 29 U H3 6.000 . 6.000 4.457 4.076 4.754 . 0 0 "[ . 1 .]" 1
600 1 3 G H21 1 29 U H3 6.000 . 6.000 4.691 4.635 4.785 . 0 0 "[ . 1 .]" 1
601 1 3 G H22 1 29 U H3 6.000 . 6.000 6.031 6.011 6.052 0.052 9 0 "[ . 1 .]" 1
602 1 4 A H2 1 29 U H3 3.000 . 3.000 2.448 2.312 2.619 . 0 0 "[ . 1 .]" 1
603 1 4 A H61 1 29 U H3 3.000 . 3.000 3.026 2.964 3.056 0.056 9 0 "[ . 1 .]" 1
604 1 4 A H62 1 29 U H3 4.000 3.000 5.000 4.474 4.383 4.532 . 0 0 "[ . 1 .]" 1
605 1 5 U H3 1 29 U H3 4.500 . 4.500 4.158 3.798 4.369 . 0 0 "[ . 1 .]" 1
606 1 28 A H2 1 29 U H3 4.500 . 4.500 3.901 3.496 4.182 . 0 0 "[ . 1 .]" 1
607 1 28 A H61 1 29 U H3 6.000 . 6.000 5.134 4.783 5.390 . 0 0 "[ . 1 .]" 1
608 1 28 A H62 1 29 U H3 6.000 . 6.000 5.828 5.525 6.023 0.023 8 0 "[ . 1 .]" 1
609 1 29 U H1' 1 29 U H3 6.000 . 6.000 4.530 4.505 4.554 . 0 0 "[ . 1 .]" 1
610 1 29 U H2' 1 29 U H3 6.000 . 6.000 4.669 4.612 4.728 . 0 0 "[ . 1 .]" 1
611 1 29 U H3 1 30 C H1' 6.000 . 6.000 4.228 3.639 5.092 . 0 0 "[ . 1 .]" 1
612 1 29 U H3 1 30 C H41 6.000 . 6.000 4.593 4.118 4.952 . 0 0 "[ . 1 .]" 1
613 1 29 U H3 1 30 C H5 4.500 . 4.500 4.514 4.442 4.552 0.052 6 0 "[ . 1 .]" 1
614 1 29 U H4' 1 30 C H5' 4.500 . 4.500 4.237 4.004 4.509 0.009 12 0 "[ . 1 .]" 1
615 1 28 A H1' 1 29 U H5 4.500 . 4.500 4.605 4.506 4.686 0.186 3 0 "[ . 1 .]" 1
616 1 28 A H2' 1 29 U H5 4.500 . 4.500 2.129 2.097 2.189 . 0 0 "[ . 1 .]" 1
617 1 28 A H3' 1 29 U H5 4.500 . 4.500 3.848 3.516 4.147 . 0 0 "[ . 1 .]" 1
618 1 28 A H8 1 29 U H5 6.000 . 6.000 4.381 4.148 4.682 . 0 0 "[ . 1 .]" 1
619 1 29 U H2' 1 29 U H5 6.000 . 6.000 5.074 4.901 5.168 . 0 0 "[ . 1 .]" 1
620 1 29 U H3' 1 29 U H5 6.000 . 6.000 4.363 4.154 4.706 . 0 0 "[ . 1 .]" 1
621 1 29 U H5 1 30 C H5 6.000 . 6.000 3.817 3.031 4.630 . 0 0 "[ . 1 .]" 1
622 1 29 U H5 1 30 C H6 6.000 . 6.000 5.062 4.615 6.009 0.009 6 0 "[ . 1 .]" 1
623 1 28 A H1' 1 29 U H6 4.500 . 4.500 3.980 3.678 4.149 . 0 0 "[ . 1 .]" 1
624 1 28 A H2' 1 29 U H6 3.000 . 3.000 2.261 2.166 2.695 . 0 0 "[ . 1 .]" 1
625 1 28 A H3' 1 29 U H6 4.500 . 4.500 4.054 3.996 4.202 . 0 0 "[ . 1 .]" 1
626 1 28 A H4' 1 29 U H6 6.000 . 6.000 5.228 5.041 5.345 . 0 0 "[ . 1 .]" 1
627 1 28 A H8 1 29 U H6 4.500 . 6.000 5.576 5.392 5.740 . 0 0 "[ . 1 .]" 1
628 1 29 U H1' 1 29 U H6 4.500 . 4.500 3.649 3.624 3.665 . 0 0 "[ . 1 .]" 1
629 1 29 U H2' 1 29 U H6 4.500 . 4.500 3.563 3.392 3.667 . 0 0 "[ . 1 .]" 1
630 1 29 U H3' 1 29 U H6 4.500 . 4.500 2.450 2.236 2.704 . 0 0 "[ . 1 .]" 1
631 1 29 U H4' 1 29 U H6 6.000 . 6.000 3.933 3.814 4.093 . 0 0 "[ . 1 .]" 1
632 1 29 U H5'' 1 29 U H6 4.500 . 4.500 3.807 3.483 4.201 . 0 0 "[ . 1 .]" 1
633 1 29 U H5' 1 29 U H6 4.500 . 4.500 3.298 3.064 3.451 . 0 0 "[ . 1 .]" 1
634 1 29 U H6 1 30 C H5 6.000 . 6.000 4.347 3.716 4.742 . 0 0 "[ . 1 .]" 1
635 1 30 C H1' 1 31 U H1' 6.000 . 6.000 5.713 5.130 6.023 0.023 9 0 "[ . 1 .]" 1
636 1 29 U H2' 1 30 C H5 4.500 . 4.500 4.007 3.327 4.346 . 0 0 "[ . 1 .]" 1
637 1 29 U H3' 1 30 C H5 4.500 . 4.500 4.131 3.771 4.384 . 0 0 "[ . 1 .]" 1
638 1 30 C H2' 1 30 C H5 6.000 . 6.000 5.072 4.861 5.230 . 0 0 "[ . 1 .]" 1
639 1 30 C H3' 1 30 C H5 6.000 . 6.000 4.854 4.548 5.117 . 0 0 "[ . 1 .]" 1
640 1 30 C H5 1 31 U H5 6.000 . 6.000 3.207 2.793 4.016 . 0 0 "[ . 1 .]" 1
641 1 30 C H5 1 31 U H6 6.000 . 6.000 4.868 4.492 5.486 . 0 0 "[ . 1 .]" 1
642 1 29 U H1' 1 30 C H6 4.500 . 4.500 4.567 4.514 4.602 0.102 7 0 "[ . 1 .]" 1
643 1 29 U H2' 1 30 C H6 3.000 . 3.000 2.124 2.092 2.160 . 0 0 "[ . 1 .]" 1
644 1 29 U H3' 1 30 C H6 4.500 . 4.500 3.355 2.939 3.951 . 0 0 "[ . 1 .]" 1
645 1 29 U H4' 1 30 C H6 6.000 . 6.000 5.704 5.524 5.853 . 0 0 "[ . 1 .]" 1
646 1 29 U H6 1 30 C H6 6.000 . 6.000 4.440 4.034 5.143 . 0 0 "[ . 1 .]" 1
647 1 30 C H1' 1 30 C H6 4.500 . 4.500 3.616 3.536 3.669 . 0 0 "[ . 1 .]" 1
648 1 30 C H2' 1 30 C H6 4.500 . 4.500 3.597 3.328 3.816 . 0 0 "[ . 1 .]" 1
649 1 30 C H3' 1 30 C H6 4.500 . 4.500 2.880 2.517 3.260 . 0 0 "[ . 1 .]" 1
650 1 30 C H4' 1 30 C H6 6.000 . 6.000 4.197 4.102 4.278 . 0 0 "[ . 1 .]" 1
651 1 30 C H5' 1 30 C H6 4.500 . 4.500 4.023 3.731 4.196 . 0 0 "[ . 1 .]" 1
652 1 30 C H5'' 1 30 C H6 4.500 . 4.500 4.254 4.006 4.475 . 0 0 "[ . 1 .]" 1
653 1 30 C H2' 1 31 U H1' 4.500 . 4.500 4.404 4.059 4.542 0.042 9 0 "[ . 1 .]" 1
654 1 2 G H1 1 31 U H3 3.000 . 3.000 2.181 2.163 2.194 . 0 0 "[ . 1 .]" 1
655 1 2 G H21 1 31 U H3 6.000 . 6.000 4.285 4.252 4.315 . 0 0 "[ . 1 .]" 1
656 1 3 G H21 1 31 U H3 6.000 . 6.000 4.628 4.216 4.894 . 0 0 "[ . 1 .]" 1
657 1 3 G H22 1 31 U H3 6.000 . 6.000 5.489 4.930 5.866 . 0 0 "[ . 1 .]" 1
658 1 30 C H41 1 31 U H3 4.500 . 4.500 3.164 2.901 3.395 . 0 0 "[ . 1 .]" 1
659 1 30 C H42 1 31 U H3 4.500 . 4.500 4.270 3.879 4.533 0.033 1 0 "[ . 1 .]" 1
660 1 31 U H1' 1 31 U H3 6.000 . 6.000 4.515 4.494 4.549 . 0 0 "[ . 1 .]" 1
661 1 31 U H2' 1 31 U H3 6.000 . 6.000 4.774 4.662 4.875 . 0 0 "[ . 1 .]" 1
662 1 31 U H3 1 32 C H1' 6.000 . 6.000 5.655 5.030 6.011 0.011 5 0 "[ . 1 .]" 1
663 1 31 U H3 1 32 C H5 6.000 . 6.000 4.644 4.214 5.151 . 0 0 "[ . 1 .]" 1
664 1 31 U H3 1 32 C H6 6.000 . 6.000 5.300 5.030 5.595 . 0 0 "[ . 1 .]" 1
665 1 30 C H1' 1 31 U H5 6.000 . 6.000 5.679 5.495 5.859 . 0 0 "[ . 1 .]" 1
666 1 30 C H2' 1 31 U H5 4.500 . 4.500 3.851 3.559 4.055 . 0 0 "[ . 1 .]" 1
667 1 30 C H3' 1 31 U H5 4.500 . 4.500 4.204 4.002 4.468 . 0 0 "[ . 1 .]" 1
668 1 31 U H2' 1 31 U H5 6.000 . 6.000 4.708 4.626 4.800 . 0 0 "[ . 1 .]" 1
669 1 31 U H3' 1 31 U H5 6.000 . 6.000 5.075 4.797 5.580 . 0 0 "[ . 1 .]" 1
670 1 31 U H5 1 32 C H5 6.000 . 6.000 4.521 4.131 4.903 . 0 0 "[ . 1 .]" 1
671 1 31 U H5 1 32 C H6 6.000 . 6.000 6.062 6.028 6.100 0.100 15 0 "[ . 1 .]" 1
672 1 30 C H1' 1 31 U H6 4.500 . 4.500 4.590 4.559 4.636 0.136 5 0 "[ . 1 .]" 1
673 1 30 C H2' 1 31 U H6 3.000 . 3.000 2.117 2.050 2.155 . 0 0 "[ . 1 .]" 1
674 1 30 C H3' 1 31 U H6 4.500 . 4.500 3.492 3.272 3.793 . 0 0 "[ . 1 .]" 1
675 1 30 C H4' 1 31 U H6 6.000 . 6.000 5.770 5.677 5.862 . 0 0 "[ . 1 .]" 1
676 1 30 C H6 1 31 U H6 6.000 . 6.000 4.358 3.997 4.820 . 0 0 "[ . 1 .]" 1
677 1 31 U H1' 1 31 U H6 4.500 . 4.500 3.662 3.626 3.686 . 0 0 "[ . 1 .]" 1
678 1 31 U H2' 1 31 U H6 4.500 . 4.500 3.169 3.049 3.313 . 0 0 "[ . 1 .]" 1
679 1 31 U H3' 1 31 U H6 4.500 . 4.500 2.978 2.711 3.477 . 0 0 "[ . 1 .]" 1
680 1 31 U H4' 1 31 U H6 6.000 . 6.000 4.274 4.212 4.348 . 0 0 "[ . 1 .]" 1
681 1 31 U H5'' 1 31 U H6 4.500 . 4.500 4.514 4.261 4.583 0.083 8 0 "[ . 1 .]" 1
682 1 31 U H5' 1 31 U H6 4.500 . 4.500 3.990 3.850 4.342 . 0 0 "[ . 1 .]" 1
683 1 31 U H1' 1 32 C H1' 6.000 . 6.000 5.388 4.749 5.891 . 0 0 "[ . 1 .]" 1
684 1 31 U H2' 1 32 C H5 4.500 . 4.500 3.010 2.669 3.174 . 0 0 "[ . 1 .]" 1
685 1 31 U H3' 1 32 C H5 4.500 . 4.500 4.481 4.112 4.559 0.059 11 0 "[ . 1 .]" 1
686 1 32 C H2' 1 32 C H5 6.000 . 6.000 4.913 4.651 5.103 . 0 0 "[ . 1 .]" 1
687 1 32 C H3' 1 32 C H5 6.000 . 6.000 4.806 4.533 5.051 . 0 0 "[ . 1 .]" 1
688 1 31 U H1' 1 32 C H6 4.500 . 4.500 4.486 4.212 4.533 0.033 3 0 "[ . 1 .]" 1
689 1 31 U H2' 1 32 C H6 3.000 . 3.000 2.153 2.125 2.186 . 0 0 "[ . 1 .]" 1
690 1 31 U H3' 1 32 C H6 4.500 . 4.500 4.004 3.872 4.117 . 0 0 "[ . 1 .]" 1
691 1 31 U H4' 1 32 C H6 6.000 . 6.000 5.636 5.476 5.798 . 0 0 "[ . 1 .]" 1
692 1 31 U H6 1 32 C H6 6.000 . 6.000 5.101 5.009 5.200 . 0 0 "[ . 1 .]" 1
693 1 32 C H1' 1 32 C H6 4.500 . 4.500 3.657 3.590 3.711 . 0 0 "[ . 1 .]" 1
694 1 32 C H2' 1 32 C H6 4.500 . 4.500 3.387 3.032 3.670 . 0 0 "[ . 1 .]" 1
695 1 32 C H3' 1 32 C H6 4.500 . 4.500 2.737 2.397 3.108 . 0 0 "[ . 1 .]" 1
696 1 32 C H4' 1 32 C H6 6.000 . 6.000 4.200 4.135 4.303 . 0 0 "[ . 1 .]" 1
697 1 32 C H5'' 1 32 C H6 4.500 . 4.500 4.248 3.977 4.542 0.042 8 0 "[ . 1 .]" 1
698 1 32 C H5' 1 32 C H6 4.500 . 4.500 3.948 3.700 4.170 . 0 0 "[ . 1 .]" 1
699 1 18 A H2 2 8 LYS QB 6.000 . 6.000 5.655 4.864 6.008 0.008 13 0 "[ . 1 .]" 1
700 1 20 A H1' 2 8 LYS QB 4.500 . 4.500 2.122 1.961 2.359 . 0 0 "[ . 1 .]" 1
701 1 20 A H2 2 8 LYS QB 6.000 . 6.000 5.984 5.877 6.061 0.061 15 0 "[ . 1 .]" 1
702 1 20 A H1' 2 8 LYS QD 6.000 . 6.000 2.481 1.998 3.668 . 0 0 "[ . 1 .]" 1
703 1 20 A H2 2 8 LYS QD 6.000 . 6.000 4.848 4.245 5.622 . 0 0 "[ . 1 .]" 1
704 1 14 C H1' 2 8 LYS QE 4.500 . 4.500 4.410 4.121 4.585 0.085 4 0 "[ . 1 .]" 1
705 1 20 A H1' 2 8 LYS QE 4.500 . 4.500 2.744 1.981 3.787 . 0 0 "[ . 1 .]" 1
706 1 20 A H2 2 8 LYS QE 4.500 . 4.500 3.382 2.959 4.335 . 0 0 "[ . 1 .]" 1
707 1 21 A H2 2 8 LYS QE 6.000 . 7.000 6.810 6.464 7.024 0.024 5 0 "[ . 1 .]" 1
708 1 20 A H1' 2 8 LYS QG 4.500 . 4.500 2.777 2.012 3.634 . 0 0 "[ . 1 .]" 1
709 1 20 A H2 2 8 LYS QG 6.000 . 6.000 5.739 5.344 6.030 0.030 3 0 "[ . 1 .]" 1
710 1 17 A H2 2 9 ARG QD 6.000 . 6.000 4.535 3.234 6.013 0.013 1 0 "[ . 1 .]" 1
711 1 17 A H1' 2 9 ARG QG 6.000 . 6.000 5.282 4.728 6.003 0.003 7 0 "[ . 1 .]" 1
712 1 17 A H2' 2 9 ARG QG 4.500 . 4.500 4.388 4.105 4.546 0.046 15 0 "[ . 1 .]" 1
713 1 17 A H2 2 9 ARG QG 6.000 . 6.000 5.560 4.118 6.006 0.006 3 0 "[ . 1 .]" 1
714 1 18 A H1' 2 9 ARG QG 6.000 . 6.000 2.456 2.021 2.902 . 0 0 "[ . 1 .]" 1
715 1 18 A H2' 2 9 ARG QG 4.500 . 4.500 3.995 3.773 4.256 . 0 0 "[ . 1 .]" 1
716 1 18 A H2 2 9 ARG QG 6.000 . 6.000 2.411 2.017 3.105 . 0 0 "[ . 1 .]" 1
717 1 18 A H3' 2 9 ARG QG 6.000 . 6.000 5.692 5.374 6.024 0.024 5 0 "[ . 1 .]" 1
718 1 18 A H4' 2 9 ARG QG 6.000 . 6.000 5.464 4.838 5.997 . 0 0 "[ . 1 .]" 1
719 1 18 A H8 2 9 ARG QG 6.000 . 6.000 5.552 5.291 5.950 . 0 0 "[ . 1 .]" 1
720 1 19 G H1' 2 9 ARG QG 6.000 . 6.000 3.892 3.498 4.180 . 0 0 "[ . 1 .]" 1
721 1 19 G H8 2 9 ARG QG 6.000 . 6.000 6.007 5.862 6.077 0.077 13 0 "[ . 1 .]" 1
722 1 19 G H4' 2 12 TYR QD 6.000 . 6.000 3.523 2.970 4.277 . 0 0 "[ . 1 .]" 1
723 1 19 G Q5' 2 12 TYR QD 6.000 . 6.000 3.606 2.738 4.776 . 0 0 "[ . 1 .]" 1
724 1 20 A H4' 2 12 TYR QE 6.000 . 6.000 4.750 3.786 5.538 . 0 0 "[ . 1 .]" 1
725 1 20 A Q5' 2 12 TYR QE 6.000 . 6.000 3.175 2.495 3.651 . 0 0 "[ . 1 .]" 1
726 1 17 A H2 2 14 LEU QD 6.000 . 7.000 4.573 3.722 5.855 . 0 0 "[ . 1 .]" 1
727 1 18 A H2 2 14 LEU QD 6.000 . 7.000 6.608 6.025 6.968 . 0 0 "[ . 1 .]" 1
728 1 4 A H1' 2 32 ALA MB 6.000 . 6.000 5.954 5.548 6.052 0.052 5 0 "[ . 1 .]" 1
729 1 4 A H2 2 32 ALA MB 4.500 . 4.500 2.821 2.478 3.149 . 0 0 "[ . 1 .]" 1
730 1 5 U H1' 2 32 ALA MB 6.000 . 6.000 4.106 3.261 4.540 . 0 0 "[ . 1 .]" 1
731 1 28 A H2 2 32 ALA MB 4.500 . 4.500 4.528 4.466 4.595 0.095 1 0 "[ . 1 .]" 1
732 1 29 U H1' 2 32 ALA MB 6.000 . 6.000 3.343 3.060 3.698 . 0 0 "[ . 1 .]" 1
733 1 30 C H1' 2 32 ALA MB 6.000 . 6.000 2.236 1.901 3.417 . 0 0 "[ . 1 .]" 1
734 1 5 U H3' 2 56 ASN QB 6.000 . 6.000 5.958 5.779 6.059 0.059 8 0 "[ . 1 .]" 1
735 1 5 U H3' 2 57 ILE MD 6.000 . 6.000 5.948 5.757 6.057 0.057 9 0 "[ . 1 .]" 1
736 1 5 U Q5' 2 57 ILE MD 6.000 . 6.000 4.867 4.591 5.345 . 0 0 "[ . 1 .]" 1
737 1 5 U H3' 2 57 ILE QG 6.000 . 6.000 4.558 4.327 4.702 . 0 0 "[ . 1 .]" 1
738 1 5 U Q5' 2 57 ILE QG 6.000 . 6.000 3.365 3.094 3.870 . 0 0 "[ . 1 .]" 1
739 1 5 U H3' 2 57 ILE MG 6.000 . 6.000 4.036 3.880 4.309 . 0 0 "[ . 1 .]" 1
740 1 5 U Q5' 2 57 ILE MG 6.000 . 6.000 2.439 1.949 3.319 . 0 0 "[ . 1 .]" 1
741 1 22 C Q5' 2 58 LYS H 6.000 . 6.000 5.369 4.118 6.010 0.010 7 0 "[ . 1 .]" 1
742 1 21 A H1' 2 62 ILE MD 6.000 . 6.000 5.341 4.178 6.011 0.011 14 0 "[ . 1 .]" 1
743 1 21 A H4' 2 62 ILE MD 4.500 . 4.500 3.825 2.525 4.500 . 0 0 "[ . 1 .]" 1
744 1 22 C H6 2 62 ILE MD 6.000 . 6.000 5.749 4.940 6.017 0.017 11 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1215
_Distance_constraint_stats_list.Viol_count 1455
_Distance_constraint_stats_list.Viol_total 1216.198
_Distance_constraint_stats_list.Viol_max 0.378
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0557
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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
2 1 GLY 0.073 0.053 8 0 "[ . 1 .]"
2 2 SER 0.057 0.057 8 0 "[ . 1 .]"
2 3 LEU 1.715 0.143 2 0 "[ . 1 .]"
2 4 ASP 0.324 0.094 14 0 "[ . 1 .]"
2 5 MET 0.615 0.098 15 0 "[ . 1 .]"
2 6 ASN 1.521 0.316 15 0 "[ . 1 .]"
2 7 ALA 0.120 0.027 11 0 "[ . 1 .]"
2 8 LYS 0.162 0.042 1 0 "[ . 1 .]"
2 9 ARG 0.595 0.098 15 0 "[ . 1 .]"
2 10 GLN 2.690 0.187 13 0 "[ . 1 .]"
2 11 LEU 1.542 0.123 4 0 "[ . 1 .]"
2 12 TYR 0.519 0.064 12 0 "[ . 1 .]"
2 13 SER 0.216 0.063 4 0 "[ . 1 .]"
2 14 LEU 1.328 0.189 4 0 "[ . 1 .]"
2 15 ILE 1.908 0.159 5 0 "[ . 1 .]"
2 16 GLY 0.470 0.089 4 0 "[ . 1 .]"
2 17 TYR 0.588 0.159 5 0 "[ . 1 .]"
2 18 ALA 0.099 0.068 6 0 "[ . 1 .]"
2 19 SER 0.161 0.054 9 0 "[ . 1 .]"
2 20 LEU 0.438 0.069 10 0 "[ . 1 .]"
2 21 ARG 0.614 0.089 15 0 "[ . 1 .]"
2 22 LEU 2.017 0.138 12 0 "[ . 1 .]"
2 23 HIS 4.325 0.217 1 0 "[ . 1 .]"
2 24 TYR 3.210 0.289 12 0 "[ . 1 .]"
2 25 VAL 3.459 0.293 14 0 "[ . 1 .]"
2 26 THR 3.101 0.293 14 0 "[ . 1 .]"
2 27 VAL 2.458 0.240 13 0 "[ . 1 .]"
2 28 LYS 2.930 0.160 6 0 "[ . 1 .]"
2 29 LYS 0.022 0.021 9 0 "[ . 1 .]"
2 30 PRO 1.464 0.140 12 0 "[ . 1 .]"
2 31 THR 2.508 0.189 7 0 "[ . 1 .]"
2 32 ALA 1.172 0.164 11 0 "[ . 1 .]"
2 33 VAL 3.015 0.330 11 0 "[ . 1 .]"
2 34 ASP 4.069 0.330 11 0 "[ . 1 .]"
2 35 PRO 0.199 0.085 15 0 "[ . 1 .]"
2 36 ASN 4.171 0.193 10 0 "[ . 1 .]"
2 37 SER 0.818 0.133 13 0 "[ . 1 .]"
2 38 ILE 2.899 0.234 15 0 "[ . 1 .]"
2 39 VAL 3.157 0.136 6 0 "[ . 1 .]"
2 40 GLU 3.698 0.278 15 0 "[ . 1 .]"
2 41 CYS 0.897 0.109 2 0 "[ . 1 .]"
2 42 ARG 2.507 0.185 12 0 "[ . 1 .]"
2 43 VAL 4.520 0.302 14 0 "[ . 1 .]"
2 44 GLY 0.314 0.069 10 0 "[ . 1 .]"
2 45 ASP 2.283 0.302 14 0 "[ . 1 .]"
2 46 GLY 0.993 0.109 9 0 "[ . 1 .]"
2 47 THR 0.838 0.135 14 0 "[ . 1 .]"
2 48 VAL 3.294 0.278 15 0 "[ . 1 .]"
2 49 LEU 0.634 0.135 14 0 "[ . 1 .]"
2 50 GLY 0.592 0.097 12 0 "[ . 1 .]"
2 51 THR 1.675 0.181 14 0 "[ . 1 .]"
2 52 GLY 0.026 0.014 13 0 "[ . 1 .]"
2 53 VAL 3.648 0.181 10 0 "[ . 1 .]"
2 54 GLY 1.331 0.181 10 0 "[ . 1 .]"
2 55 ARG 0.692 0.141 10 0 "[ . 1 .]"
2 56 ASN 3.341 0.378 10 0 "[ . 1 .]"
2 57 ILE 4.643 0.193 10 0 "[ . 1 .]"
2 58 LYS 5.823 0.378 10 0 "[ . 1 .]"
2 59 ILE 5.104 0.184 10 0 "[ . 1 .]"
2 60 ALA 4.887 0.190 13 0 "[ . 1 .]"
2 61 GLY 2.874 0.167 15 0 "[ . 1 .]"
2 62 ILE 1.830 0.190 11 0 "[ . 1 .]"
2 63 ARG 1.841 0.116 12 0 "[ . 1 .]"
2 64 ALA 0.933 0.136 6 0 "[ . 1 .]"
2 65 ALA 0.143 0.044 7 0 "[ . 1 .]"
2 66 GLU 0.072 0.028 7 0 "[ . 1 .]"
2 67 ASN 1.222 0.181 14 0 "[ . 1 .]"
2 68 ALA 2.814 0.187 13 0 "[ . 1 .]"
2 69 LEU 0.848 0.205 9 0 "[ . 1 .]"
2 70 ARG 0.907 0.205 9 0 "[ . 1 .]"
2 71 ASP 1.934 0.125 13 0 "[ . 1 .]"
2 72 LYS 1.400 0.091 11 0 "[ . 1 .]"
2 73 LYS 0.480 0.070 12 0 "[ . 1 .]"
2 74 MET 1.263 0.109 14 0 "[ . 1 .]"
2 75 LEU 2.552 0.105 15 0 "[ . 1 .]"
2 76 ASP 1.396 0.105 15 0 "[ . 1 .]"
2 77 PHE 1.928 0.097 15 0 "[ . 1 .]"
2 78 TYR 3.448 0.151 11 0 "[ . 1 .]"
2 79 ALA 0.416 0.080 3 0 "[ . 1 .]"
2 80 LYS 0.050 0.028 15 0 "[ . 1 .]"
2 81 GLN 4.231 0.151 11 0 "[ . 1 .]"
2 82 ARG 1.027 0.067 14 0 "[ . 1 .]"
2 83 ALA 0.186 0.054 5 0 "[ . 1 .]"
2 84 ALA 1.068 0.161 8 0 "[ . 1 .]"
2 85 ILE 2.257 0.161 8 0 "[ . 1 .]"
2 86 PRO 0.724 0.091 13 0 "[ . 1 .]"
2 87 ARG 0.109 0.088 1 0 "[ . 1 .]"
2 88 SER 0.000 0.000 . 0 "[ . 1 .]"
2 89 GLU 0.000 0.000 . 0 "[ . 1 .]"
2 90 SER 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 2 3 LEU HA 2 3 LEU QD 3.000 . 3.000 2.248 1.791 3.088 0.088 9 0 "[ . 1 .]" 2
2 2 2 SER QB 2 3 LEU QB 6.000 . 6.000 5.008 4.280 5.779 . 0 0 "[ . 1 .]" 2
3 2 1 GLY QA 2 3 LEU QD 4.500 . 4.500 4.023 3.333 4.553 0.053 8 0 "[ . 1 .]" 2
4 2 3 LEU HA 2 3 LEU HG 4.500 . 4.500 3.053 2.143 3.649 . 0 0 "[ . 1 .]" 2
5 2 1 GLY QA 2 3 LEU H 4.500 . 4.500 3.650 2.914 4.417 . 0 0 "[ . 1 .]" 2
6 2 2 SER HA 2 3 LEU H 3.000 . 3.000 2.677 2.297 3.057 0.057 8 0 "[ . 1 .]" 2
7 2 2 SER QB 2 3 LEU H 6.000 . 6.000 3.911 3.743 4.071 . 0 0 "[ . 1 .]" 2
8 2 3 LEU H 2 3 LEU HA 3.000 . 3.000 2.809 2.293 2.950 . 0 0 "[ . 1 .]" 2
9 2 3 LEU H 2 3 LEU QB 3.000 . 3.000 2.486 2.047 3.082 0.082 8 0 "[ . 1 .]" 2
10 2 3 LEU H 2 3 LEU MD1 4.500 . 4.500 3.911 3.518 4.504 0.004 7 0 "[ . 1 .]" 2
11 2 3 LEU H 2 3 LEU MD2 4.500 . 4.500 3.599 1.866 4.643 0.143 2 0 "[ . 1 .]" 2
12 2 3 LEU H 2 4 ASP H 3.000 . 4.500 3.591 1.936 4.561 0.061 9 0 "[ . 1 .]" 2
13 2 3 LEU QD 2 4 ASP HA 6.000 . 6.000 4.906 4.260 5.425 . 0 0 "[ . 1 .]" 2
14 2 3 LEU HG 2 4 ASP HA 6.000 . 6.000 5.608 4.664 6.094 0.094 14 0 "[ . 1 .]" 2
15 2 4 ASP HA 2 4 ASP HB3 3.000 . 3.000 2.374 2.235 2.971 . 0 0 "[ . 1 .]" 2
16 2 4 ASP HA 2 4 ASP HB2 3.000 . 3.000 2.771 2.456 3.020 0.020 3 0 "[ . 1 .]" 2
17 2 3 LEU HA 2 4 ASP QB 6.000 . 6.000 5.028 4.030 5.618 . 0 0 "[ . 1 .]" 2
18 2 3 LEU QD 2 4 ASP QB 6.000 . 6.000 4.955 4.131 5.611 . 0 0 "[ . 1 .]" 2
19 2 4 ASP QB 2 7 ALA MB 4.500 . 4.500 3.919 3.322 4.410 . 0 0 "[ . 1 .]" 2
20 2 3 LEU HA 2 4 ASP H 3.000 . 4.500 2.825 2.131 3.546 . 0 0 "[ . 1 .]" 2
21 2 3 LEU QD 2 4 ASP H 4.500 . 4.500 3.738 3.011 4.287 . 0 0 "[ . 1 .]" 2
22 2 4 ASP H 2 4 ASP QB 3.000 . 3.000 2.711 2.107 2.982 . 0 0 "[ . 1 .]" 2
23 2 4 ASP H 2 5 MET H 4.500 . 4.500 3.152 2.910 3.430 . 0 0 "[ . 1 .]" 2
24 2 3 LEU QD 2 5 MET QB 6.000 . 6.000 3.879 1.975 5.867 . 0 0 "[ . 1 .]" 2
25 2 3 LEU QD 2 5 MET ME 3.000 . 3.000 2.784 1.887 3.041 0.041 13 0 "[ . 1 .]" 2
26 2 5 MET HB3 2 5 MET ME 4.500 . 4.500 2.899 1.848 4.028 . 0 0 "[ . 1 .]" 2
27 2 5 MET HB2 2 5 MET ME 4.500 . 4.500 3.030 1.870 4.246 . 0 0 "[ . 1 .]" 2
28 2 5 MET ME 2 8 LYS QD 6.000 . 6.000 5.263 4.196 5.984 . 0 0 "[ . 1 .]" 2
29 2 5 MET ME 2 9 ARG QG 4.500 . 4.500 4.413 4.016 4.598 0.098 15 0 "[ . 1 .]" 2
30 2 4 ASP HA 2 5 MET H 4.500 . 4.500 3.551 3.520 3.585 . 0 0 "[ . 1 .]" 2
31 2 4 ASP QB 2 5 MET H 4.500 . 4.500 2.394 1.834 3.444 . 0 0 "[ . 1 .]" 2
32 2 5 MET H 2 5 MET HA 3.000 . 3.000 2.685 2.633 2.781 . 0 0 "[ . 1 .]" 2
33 2 5 MET H 2 5 MET QB 3.000 . 3.000 2.427 2.141 2.836 . 0 0 "[ . 1 .]" 2
34 2 5 MET H 2 6 ASN H 6.000 . 6.000 3.084 2.861 3.359 . 0 0 "[ . 1 .]" 2
35 2 3 LEU QD 2 6 ASN HA 6.000 . 6.000 4.410 3.684 5.924 . 0 0 "[ . 1 .]" 2
36 2 6 ASN HA 2 9 ARG QB 4.500 . 4.500 2.718 1.840 3.110 . 0 0 "[ . 1 .]" 2
37 2 3 LEU QD 2 6 ASN QB 6.000 . 6.000 2.684 1.780 3.972 0.020 10 0 "[ . 1 .]" 2
38 2 6 ASN QB 2 9 ARG QB 4.500 . 4.500 4.261 3.191 4.566 0.066 3 0 "[ . 1 .]" 2
39 2 3 LEU QD 2 6 ASN HD21 4.500 . 4.500 2.943 1.823 4.507 0.007 15 0 "[ . 1 .]" 2
40 2 5 MET ME 2 6 ASN HD21 6.000 . 6.000 2.811 1.793 4.470 0.007 10 0 "[ . 1 .]" 2
41 2 6 ASN HA 2 6 ASN HD21 4.500 . 4.500 3.213 1.834 4.404 . 0 0 "[ . 1 .]" 2
42 2 3 LEU QD 2 6 ASN HD22 4.500 . 4.500 3.173 2.125 4.527 0.027 10 0 "[ . 1 .]" 2
43 2 5 MET ME 2 6 ASN HD22 4.500 . 4.500 2.821 2.245 4.551 0.051 15 0 "[ . 1 .]" 2
44 2 6 ASN HA 2 6 ASN HD22 4.500 . 4.500 3.942 3.179 4.816 0.316 15 0 "[ . 1 .]" 2
45 2 3 LEU HA 2 6 ASN H 4.500 . 4.500 4.042 3.254 4.606 0.106 9 0 "[ . 1 .]" 2
46 2 3 LEU QD 2 6 ASN H 4.500 . 4.500 3.130 2.015 4.548 0.048 15 0 "[ . 1 .]" 2
47 2 5 MET HA 2 6 ASN H 4.500 . 4.500 3.565 3.539 3.578 . 0 0 "[ . 1 .]" 2
48 2 6 ASN H 2 6 ASN HD21 4.500 . 4.500 3.416 2.200 4.264 . 0 0 "[ . 1 .]" 2
49 2 6 ASN H 2 6 ASN HD22 4.500 . 4.500 4.379 3.767 4.634 0.134 8 0 "[ . 1 .]" 2
50 2 6 ASN H 2 7 ALA MB 6.000 . 6.000 4.354 4.201 4.603 . 0 0 "[ . 1 .]" 2
51 2 7 ALA HA 2 10 GLN HB3 4.500 . 4.500 3.628 3.230 3.984 . 0 0 "[ . 1 .]" 2
52 2 7 ALA HA 2 10 GLN HB2 4.500 . 4.500 2.895 2.465 3.216 . 0 0 "[ . 1 .]" 2
53 2 7 ALA HA 2 10 GLN QG 4.500 . 4.500 4.274 3.881 4.527 0.027 11 0 "[ . 1 .]" 2
54 2 7 ALA MB 2 66 GLU HA 4.500 . 4.500 2.990 2.525 3.379 . 0 0 "[ . 1 .]" 2
55 2 7 ALA MB 2 66 GLU QB 4.500 . 4.500 3.768 3.256 4.344 . 0 0 "[ . 1 .]" 2
56 2 7 ALA MB 2 66 GLU QG 4.500 . 4.500 2.840 1.902 3.845 . 0 0 "[ . 1 .]" 2
57 2 5 MET ME 2 7 ALA H 6.000 . 6.000 4.427 3.887 5.601 . 0 0 "[ . 1 .]" 2
58 2 6 ASN HA 2 7 ALA H 4.500 . 4.500 3.538 3.446 3.576 . 0 0 "[ . 1 .]" 2
59 2 6 ASN QB 2 7 ALA H 4.500 . 4.500 2.640 2.386 3.603 . 0 0 "[ . 1 .]" 2
60 2 7 ALA H 2 7 ALA MB 3.000 . 3.000 2.095 2.045 2.240 . 0 0 "[ . 1 .]" 2
61 2 7 ALA H 2 8 LYS H 4.500 . 4.500 3.164 3.007 3.312 . 0 0 "[ . 1 .]" 2
62 2 7 ALA H 2 9 ARG H 6.000 . 6.000 4.039 3.620 4.424 . 0 0 "[ . 1 .]" 2
63 2 7 ALA H 2 69 LEU MD1 4.500 . 4.500 4.330 3.658 4.509 0.009 13 0 "[ . 1 .]" 2
64 2 7 ALA HA 2 8 LYS H 4.500 . 4.500 3.559 3.543 3.576 . 0 0 "[ . 1 .]" 2
65 2 7 ALA MB 2 8 LYS H 3.000 . 3.000 1.903 1.825 2.019 . 0 0 "[ . 1 .]" 2
66 2 8 LYS H 2 8 LYS QG 4.500 . 4.500 1.971 1.822 2.387 . 0 0 "[ . 1 .]" 2
67 2 8 LYS H 2 9 ARG H 4.500 . 4.500 3.014 2.681 3.182 . 0 0 "[ . 1 .]" 2
68 2 8 LYS H 2 11 LEU MD2 4.500 . 4.500 4.447 4.291 4.542 0.042 1 0 "[ . 1 .]" 2
69 2 7 ALA HA 2 9 ARG H 4.500 . 4.500 4.282 3.895 4.523 0.023 13 0 "[ . 1 .]" 2
70 2 9 ARG H 2 9 ARG HA 3.000 . 3.000 2.795 2.763 2.828 . 0 0 "[ . 1 .]" 2
71 2 9 ARG H 2 9 ARG QB 3.000 . 3.000 2.130 2.055 2.243 . 0 0 "[ . 1 .]" 2
72 2 9 ARG H 2 10 GLN H 4.500 . 4.500 2.815 2.676 2.985 . 0 0 "[ . 1 .]" 2
73 2 10 GLN HA 2 10 GLN QG 3.000 . 3.000 2.431 2.242 2.604 . 0 0 "[ . 1 .]" 2
74 2 10 GLN QB 2 69 LEU MD1 4.500 . 4.500 2.503 2.070 2.995 . 0 0 "[ . 1 .]" 2
75 2 10 GLN HB3 2 10 GLN HE21 4.500 . 4.500 1.907 1.761 2.151 0.039 3 0 "[ . 1 .]" 2
76 2 10 GLN HB2 2 10 GLN HE21 4.500 . 4.500 3.438 3.342 3.606 . 0 0 "[ . 1 .]" 2
77 2 10 GLN HE21 2 11 LEU HA 4.500 . 4.500 3.264 2.784 3.576 . 0 0 "[ . 1 .]" 2
78 2 10 GLN HE21 2 14 LEU QD 4.500 . 4.500 4.246 3.825 4.501 0.001 1 0 "[ . 1 .]" 2
79 2 10 GLN HE22 2 11 LEU HA 4.500 . 4.500 3.960 3.221 4.536 0.036 15 0 "[ . 1 .]" 2
80 2 10 GLN HE22 2 14 LEU HB3 6.000 . 6.000 2.853 1.937 3.956 . 0 0 "[ . 1 .]" 2
81 2 10 GLN HE22 2 14 LEU HB2 6.000 . 6.000 3.255 2.420 4.647 . 0 0 "[ . 1 .]" 2
82 2 10 GLN HE22 2 14 LEU QD 4.500 . 4.500 3.814 3.465 4.131 . 0 0 "[ . 1 .]" 2
83 2 10 GLN QG 2 14 LEU QB 4.500 . 4.500 3.199 2.761 3.723 . 0 0 "[ . 1 .]" 2
84 2 10 GLN QG 2 14 LEU HG 4.500 . 4.500 3.860 2.785 4.540 0.040 11 0 "[ . 1 .]" 2
85 2 10 GLN QG 2 75 LEU MD1 3.000 . 3.000 2.987 2.766 3.074 0.074 2 0 "[ . 1 .]" 2
86 2 10 GLN QG 2 75 LEU MD2 4.500 . 4.500 3.561 3.040 4.198 . 0 0 "[ . 1 .]" 2
87 2 8 LYS H 2 10 GLN H 6.000 . 6.000 4.580 4.329 4.844 . 0 0 "[ . 1 .]" 2
88 2 9 ARG QB 2 10 GLN H 4.500 . 4.500 2.342 2.019 2.545 . 0 0 "[ . 1 .]" 2
89 2 10 GLN H 2 10 GLN QB 3.000 . 3.000 2.078 2.022 2.137 . 0 0 "[ . 1 .]" 2
90 2 10 GLN H 2 10 GLN QG 4.500 . 4.500 3.615 3.423 3.802 . 0 0 "[ . 1 .]" 2
91 2 10 GLN H 2 11 LEU QB 6.000 . 6.000 5.013 4.555 5.211 . 0 0 "[ . 1 .]" 2
92 2 10 GLN H 2 11 LEU MD1 6.000 . 6.000 5.512 5.135 6.068 0.068 3 0 "[ . 1 .]" 2
93 2 10 GLN H 2 11 LEU MD2 4.500 . 4.500 3.765 3.415 4.399 . 0 0 "[ . 1 .]" 2
94 2 10 GLN H 2 11 LEU H 4.500 . 4.500 2.806 2.707 2.967 . 0 0 "[ . 1 .]" 2
95 2 11 LEU HA 2 11 LEU MD1 4.500 . 4.500 3.568 2.328 3.926 . 0 0 "[ . 1 .]" 2
96 2 11 LEU HA 2 11 LEU MD2 4.500 . 4.500 2.035 1.840 2.474 . 0 0 "[ . 1 .]" 2
97 2 11 LEU HA 2 14 LEU QB 4.500 . 4.500 4.513 4.346 4.613 0.113 6 0 "[ . 1 .]" 2
98 2 11 LEU MD2 2 15 ILE HB 4.500 . 4.500 4.500 4.213 4.623 0.123 4 0 "[ . 1 .]" 2
99 2 11 LEU MD2 2 22 LEU MD1 4.500 . 4.500 3.958 3.551 4.512 0.012 2 0 "[ . 1 .]" 2
100 2 11 LEU MD2 2 22 LEU MD2 4.500 . 4.500 4.153 3.679 4.541 0.041 14 0 "[ . 1 .]" 2
101 2 7 ALA MB 2 11 LEU HG 6.000 . 6.000 3.773 3.334 4.333 . 0 0 "[ . 1 .]" 2
102 2 10 GLN QB 2 11 LEU H 3.000 . 3.000 2.537 2.253 2.776 . 0 0 "[ . 1 .]" 2
103 2 10 GLN QG 2 11 LEU H 6.000 . 6.000 4.433 4.244 4.599 . 0 0 "[ . 1 .]" 2
104 2 11 LEU H 2 11 LEU MD1 4.500 . 4.500 3.682 3.525 4.002 . 0 0 "[ . 1 .]" 2
105 2 11 LEU H 2 11 LEU MD2 4.500 . 4.500 2.008 1.831 2.329 . 0 0 "[ . 1 .]" 2
106 2 11 LEU H 2 12 TYR H 4.500 . 4.500 3.168 3.044 3.302 . 0 0 "[ . 1 .]" 2
107 2 12 TYR HA 2 12 TYR QE 6.000 . 6.000 4.322 4.122 4.540 . 0 0 "[ . 1 .]" 2
108 2 12 TYR HA 2 15 ILE QG 6.000 . 6.000 5.634 5.157 6.064 0.064 12 0 "[ . 1 .]" 2
109 2 12 TYR HA 2 15 ILE MG 6.000 . 6.000 5.600 5.206 6.041 0.041 3 0 "[ . 1 .]" 2
110 2 12 TYR HA 2 22 LEU MD1 6.000 . 6.000 4.554 3.232 5.181 . 0 0 "[ . 1 .]" 2
111 2 12 TYR HA 2 12 TYR QD 4.500 . 4.500 2.427 2.015 2.968 . 0 0 "[ . 1 .]" 2
112 2 12 TYR QD 2 22 LEU MD1 4.500 . 4.500 3.736 2.400 4.251 . 0 0 "[ . 1 .]" 2
113 2 12 TYR QD 2 22 LEU MD2 4.500 . 4.500 3.912 3.432 4.546 0.046 9 0 "[ . 1 .]" 2
114 2 11 LEU HA 2 12 TYR H 4.500 . 4.500 3.573 3.556 3.587 . 0 0 "[ . 1 .]" 2
115 2 11 LEU MD1 2 12 TYR H 4.500 . 4.500 4.108 3.755 4.356 . 0 0 "[ . 1 .]" 2
116 2 11 LEU MD2 2 12 TYR H 4.500 . 4.500 4.163 4.026 4.287 . 0 0 "[ . 1 .]" 2
117 2 11 LEU HG 2 12 TYR H 6.000 . 6.000 3.702 3.325 4.490 . 0 0 "[ . 1 .]" 2
118 2 12 TYR H 2 13 SER QB 4.500 . 4.500 4.290 4.085 4.563 0.063 4 0 "[ . 1 .]" 2
119 2 12 TYR H 2 13 SER H 4.500 . 4.500 2.632 2.453 2.947 . 0 0 "[ . 1 .]" 2
120 2 12 TYR HA 2 13 SER H 4.500 . 4.500 3.395 2.945 3.587 . 0 0 "[ . 1 .]" 2
121 2 12 TYR QB 2 13 SER H 4.500 . 4.500 3.028 2.496 3.757 . 0 0 "[ . 1 .]" 2
122 2 12 TYR QD 2 13 SER H 4.500 . 4.500 4.442 4.337 4.528 0.028 10 0 "[ . 1 .]" 2
123 2 13 SER H 2 13 SER HA 3.000 . 3.000 2.876 2.787 2.948 . 0 0 "[ . 1 .]" 2
124 2 13 SER H 2 13 SER QB 3.000 . 3.000 2.390 2.158 2.786 . 0 0 "[ . 1 .]" 2
125 2 13 SER H 2 14 LEU QB 6.000 . 6.000 4.253 3.801 4.729 . 0 0 "[ . 1 .]" 2
126 2 13 SER H 2 14 LEU QD 6.000 . 6.000 4.152 3.416 4.861 . 0 0 "[ . 1 .]" 2
127 2 13 SER H 2 14 LEU H 4.500 . 4.500 2.351 1.808 2.784 . 0 0 "[ . 1 .]" 2
128 2 13 SER H 2 15 ILE H 6.000 . 6.000 3.645 2.860 4.252 . 0 0 "[ . 1 .]" 2
129 2 14 LEU HA 2 14 LEU MD1 3.000 . 3.000 2.350 1.848 2.980 . 0 0 "[ . 1 .]" 2
130 2 14 LEU HA 2 14 LEU MD2 4.500 . 4.500 2.919 1.842 3.731 . 0 0 "[ . 1 .]" 2
131 2 12 TYR QB 2 14 LEU H 6.000 . 6.000 4.803 4.300 5.342 . 0 0 "[ . 1 .]" 2
132 2 13 SER QB 2 14 LEU H 4.500 . 4.500 3.026 2.705 3.459 . 0 0 "[ . 1 .]" 2
133 2 14 LEU H 2 14 LEU HA 3.000 . 3.000 2.942 2.929 2.951 . 0 0 "[ . 1 .]" 2
134 2 14 LEU H 2 14 LEU MD1 3.000 . 4.500 3.786 2.732 4.528 0.028 13 0 "[ . 1 .]" 2
135 2 14 LEU H 2 14 LEU MD2 3.000 . 4.500 3.566 2.400 4.562 0.062 3 0 "[ . 1 .]" 2
136 2 14 LEU H 2 14 LEU HG 4.500 . 4.500 4.420 4.148 4.689 0.189 4 0 "[ . 1 .]" 2
137 2 14 LEU H 2 15 ILE HA 6.000 . 6.000 4.731 4.612 4.879 . 0 0 "[ . 1 .]" 2
138 2 14 LEU H 2 15 ILE HB 6.000 . 6.000 4.758 4.395 5.095 . 0 0 "[ . 1 .]" 2
139 2 14 LEU H 2 15 ILE H 4.500 . 4.500 2.026 1.883 2.222 . 0 0 "[ . 1 .]" 2
140 2 14 LEU H 2 16 GLY H 6.000 . 6.000 4.376 3.540 6.089 0.089 4 0 "[ . 1 .]" 2
141 2 15 ILE HA 2 78 TYR HB3 6.000 . 6.000 3.745 3.039 4.240 . 0 0 "[ . 1 .]" 2
142 2 15 ILE HA 2 78 TYR HB2 6.000 . 6.000 4.245 3.265 5.000 . 0 0 "[ . 1 .]" 2
143 2 15 ILE HA 2 79 ALA HA 6.000 . 6.000 5.075 4.287 5.812 . 0 0 "[ . 1 .]" 2
144 2 15 ILE HA 2 79 ALA MB 6.000 . 6.000 5.492 4.815 5.953 . 0 0 "[ . 1 .]" 2
145 2 15 ILE MD 2 15 ILE MG 3.000 . 3.000 1.970 1.802 2.302 . 0 0 "[ . 1 .]" 2
146 2 15 ILE MD 2 75 LEU HA 4.500 . 4.500 2.246 1.834 2.704 . 0 0 "[ . 1 .]" 2
147 2 15 ILE MD 2 78 TYR HB3 6.000 . 6.000 3.178 2.706 3.517 . 0 0 "[ . 1 .]" 2
148 2 15 ILE MD 2 78 TYR HB2 6.000 . 6.000 2.520 2.214 2.768 . 0 0 "[ . 1 .]" 2
149 2 15 ILE MD 2 82 ARG QG 4.500 . 4.500 4.476 4.063 4.567 0.067 14 0 "[ . 1 .]" 2
150 2 15 ILE MG 2 75 LEU HA 4.500 . 4.500 3.230 2.938 3.511 . 0 0 "[ . 1 .]" 2
151 2 15 ILE MG 2 75 LEU QB 4.500 . 4.500 4.529 4.467 4.591 0.091 15 0 "[ . 1 .]" 2
152 2 15 ILE MG 2 78 TYR QB 6.000 . 6.000 1.955 1.774 2.246 0.026 8 0 "[ . 1 .]" 2
153 2 11 LEU HA 2 15 ILE H 4.500 . 4.500 3.743 3.513 3.947 . 0 0 "[ . 1 .]" 2
154 2 12 TYR HA 2 15 ILE H 6.000 . 6.000 3.776 3.189 4.124 . 0 0 "[ . 1 .]" 2
155 2 14 LEU HA 2 15 ILE H 6.000 . 6.000 3.481 3.327 3.555 . 0 0 "[ . 1 .]" 2
156 2 14 LEU QB 2 15 ILE H 4.500 . 4.500 2.975 2.601 3.280 . 0 0 "[ . 1 .]" 2
157 2 14 LEU QD 2 15 ILE H 4.500 . 4.500 4.049 3.772 4.403 . 0 0 "[ . 1 .]" 2
158 2 15 ILE H 2 16 GLY H 4.500 . 4.500 2.899 2.223 4.122 . 0 0 "[ . 1 .]" 2
159 2 15 ILE H 2 17 TYR H 6.000 . 6.000 5.700 5.197 6.159 0.159 5 0 "[ . 1 .]" 2
160 2 15 ILE QG 2 16 GLY QA 6.000 . 6.000 5.118 4.938 5.334 . 0 0 "[ . 1 .]" 2
161 2 15 ILE MG 2 16 GLY QA 6.000 . 6.000 3.719 3.155 4.197 . 0 0 "[ . 1 .]" 2
162 2 16 GLY QA 2 20 LEU MD1 6.000 . 6.000 2.461 1.788 4.175 0.012 1 0 "[ . 1 .]" 2
163 2 12 TYR HA 2 16 GLY H 4.500 . 4.500 3.507 2.590 4.542 0.042 4 0 "[ . 1 .]" 2
164 2 15 ILE HA 2 16 GLY H 6.000 . 6.000 3.109 2.648 3.578 . 0 0 "[ . 1 .]" 2
165 2 15 ILE MD 2 16 GLY H 6.000 . 6.000 4.391 4.132 4.648 . 0 0 "[ . 1 .]" 2
166 2 15 ILE QG 2 16 GLY H 4.500 . 4.500 4.052 3.485 4.555 0.055 11 0 "[ . 1 .]" 2
167 2 15 ILE MG 2 16 GLY H 4.500 . 4.500 3.323 1.836 4.193 . 0 0 "[ . 1 .]" 2
168 2 16 GLY H 2 17 TYR H 4.500 . 4.500 3.657 2.642 4.571 0.071 5 0 "[ . 1 .]" 2
169 2 16 GLY H 2 20 LEU MD1 4.500 . 4.500 3.737 2.378 4.534 0.034 11 0 "[ . 1 .]" 2
170 2 17 TYR HA 2 17 TYR QD 4.500 . 4.500 3.654 3.374 3.741 . 0 0 "[ . 1 .]" 2
171 2 17 TYR QD 2 18 ALA HA 6.000 . 6.000 4.271 3.708 4.930 . 0 0 "[ . 1 .]" 2
172 2 17 TYR QD 2 19 SER HA 6.000 . 6.000 4.957 4.243 5.997 . 0 0 "[ . 1 .]" 2
173 2 17 TYR QD 2 19 SER HB3 6.000 . 6.000 3.881 2.847 5.105 . 0 0 "[ . 1 .]" 2
174 2 17 TYR QD 2 19 SER HB2 6.000 . 6.000 3.581 1.959 5.201 . 0 0 "[ . 1 .]" 2
175 2 15 ILE HA 2 17 TYR QE 6.000 . 6.000 4.668 2.040 5.970 . 0 0 "[ . 1 .]" 2
176 2 17 TYR QE 2 18 ALA HA 6.000 . 6.000 5.624 4.837 6.068 0.068 6 0 "[ . 1 .]" 2
177 2 17 TYR QE 2 19 SER HA 6.000 . 6.000 4.532 3.958 5.607 . 0 0 "[ . 1 .]" 2
178 2 17 TYR QE 2 19 SER QB 4.500 . 4.500 2.336 1.781 4.101 0.019 10 0 "[ . 1 .]" 2
179 2 17 TYR QE 2 20 LEU HA 6.000 . 6.000 3.852 2.369 5.870 . 0 0 "[ . 1 .]" 2
180 2 17 TYR H 2 17 TYR QD 4.500 . 4.500 2.478 1.901 3.038 . 0 0 "[ . 1 .]" 2
181 2 17 TYR H 2 17 TYR QE 4.500 . 4.500 3.890 3.623 4.230 . 0 0 "[ . 1 .]" 2
182 2 17 TYR H 2 20 LEU MD1 4.500 . 4.500 2.912 1.838 4.013 . 0 0 "[ . 1 .]" 2
183 2 17 TYR H 2 20 LEU MD2 6.000 . 6.000 4.047 1.939 5.428 . 0 0 "[ . 1 .]" 2
184 2 17 TYR H 2 20 LEU HG 6.000 . 6.000 4.488 2.811 5.786 . 0 0 "[ . 1 .]" 2
185 2 17 TYR H 2 22 LEU MD1 6.000 . 6.000 5.188 4.107 6.028 0.028 13 0 "[ . 1 .]" 2
186 2 17 TYR QD 2 19 SER H 4.500 . 4.500 3.374 2.091 4.502 0.002 14 0 "[ . 1 .]" 2
187 2 18 ALA MB 2 19 SER H 4.500 . 4.500 3.158 1.797 3.703 0.003 6 0 "[ . 1 .]" 2
188 2 19 SER H 2 20 LEU QB 6.000 . 6.000 4.064 3.152 5.004 . 0 0 "[ . 1 .]" 2
189 2 19 SER H 2 20 LEU H 4.500 . 4.500 2.329 1.749 3.041 0.051 4 0 "[ . 1 .]" 2
190 2 19 SER H 2 21 ARG H 6.000 . 6.000 3.966 2.456 4.776 . 0 0 "[ . 1 .]" 2
191 2 17 TYR QD 2 20 LEU MD1 4.500 . 4.500 3.336 2.363 4.488 . 0 0 "[ . 1 .]" 2
192 2 17 TYR QD 2 20 LEU MD2 6.000 . 6.000 4.341 2.973 5.321 . 0 0 "[ . 1 .]" 2
193 2 17 TYR QE 2 20 LEU MD2 4.500 . 4.500 3.561 2.459 4.471 . 0 0 "[ . 1 .]" 2
194 2 20 LEU HA 2 20 LEU MD2 4.500 . 4.500 3.034 1.888 4.096 . 0 0 "[ . 1 .]" 2
195 2 20 LEU MD2 2 22 LEU MD1 4.500 . 4.500 2.958 1.856 4.142 . 0 0 "[ . 1 .]" 2
196 2 17 TYR QD 2 20 LEU H 6.000 . 6.000 4.096 2.578 5.482 . 0 0 "[ . 1 .]" 2
197 2 17 TYR H 2 20 LEU H 6.000 . 6.000 4.630 3.139 6.012 0.012 14 0 "[ . 1 .]" 2
198 2 19 SER HA 2 20 LEU H 4.500 . 4.500 3.080 2.710 3.561 . 0 0 "[ . 1 .]" 2
199 2 19 SER QB 2 20 LEU H 4.500 . 4.500 3.530 2.086 4.080 . 0 0 "[ . 1 .]" 2
200 2 20 LEU H 2 20 LEU HA 3.000 . 3.000 2.876 2.702 2.945 . 0 0 "[ . 1 .]" 2
201 2 20 LEU H 2 20 LEU MD1 4.500 . 4.500 3.808 1.786 4.371 0.014 15 0 "[ . 1 .]" 2
202 2 20 LEU H 2 20 LEU MD2 4.500 . 4.500 3.710 1.777 4.482 0.023 11 0 "[ . 1 .]" 2
203 2 20 LEU H 2 21 ARG QB 6.000 . 6.000 4.567 4.294 4.887 . 0 0 "[ . 1 .]" 2
204 2 20 LEU H 2 21 ARG QD 6.000 . 6.000 5.592 4.887 5.978 . 0 0 "[ . 1 .]" 2
205 2 20 LEU H 2 21 ARG H 4.500 . 4.500 2.352 1.835 2.954 . 0 0 "[ . 1 .]" 2
206 2 20 LEU H 2 22 LEU H 6.000 . 6.000 4.230 3.295 5.102 . 0 0 "[ . 1 .]" 2
207 2 21 ARG HA 2 21 ARG QD 4.500 . 4.500 2.618 1.957 4.054 . 0 0 "[ . 1 .]" 2
208 2 21 ARG HA 2 21 ARG HG3 4.500 . 4.500 2.795 2.115 4.077 . 0 0 "[ . 1 .]" 2
209 2 21 ARG HA 2 21 ARG HG2 4.500 . 4.500 3.452 2.415 3.747 . 0 0 "[ . 1 .]" 2
210 2 21 ARG HB3 2 44 GLY HA3 6.000 . 6.000 2.996 1.863 4.562 . 0 0 "[ . 1 .]" 2
211 2 21 ARG HB3 2 44 GLY HA2 6.000 . 6.000 3.644 2.188 5.902 . 0 0 "[ . 1 .]" 2
212 2 21 ARG HB2 2 44 GLY HA3 6.000 . 6.000 3.962 2.749 5.330 . 0 0 "[ . 1 .]" 2
213 2 21 ARG HB2 2 44 GLY HA2 6.000 . 6.000 4.656 1.864 6.043 0.043 15 0 "[ . 1 .]" 2
214 2 21 ARG QD 2 44 GLY QA 4.500 . 4.500 3.865 2.687 4.514 0.014 14 0 "[ . 1 .]" 2
215 2 18 ALA HA 2 21 ARG H 6.000 . 6.000 5.040 3.887 6.016 0.016 3 0 "[ . 1 .]" 2
216 2 19 SER HA 2 21 ARG H 4.500 . 4.500 3.891 3.179 4.554 0.054 9 0 "[ . 1 .]" 2
217 2 19 SER QB 2 21 ARG H 6.000 . 6.000 5.064 4.240 5.580 . 0 0 "[ . 1 .]" 2
218 2 20 LEU HA 2 21 ARG H 4.500 . 4.500 3.391 2.955 3.564 . 0 0 "[ . 1 .]" 2
219 2 20 LEU QB 2 21 ARG H 4.500 . 4.500 3.058 2.266 3.976 . 0 0 "[ . 1 .]" 2
220 2 20 LEU MD1 2 21 ARG H 6.000 . 6.000 4.398 2.867 5.489 . 0 0 "[ . 1 .]" 2
221 2 20 LEU MD2 2 21 ARG H 6.000 . 6.000 3.754 2.119 5.279 . 0 0 "[ . 1 .]" 2
222 2 21 ARG H 2 21 ARG QD 4.500 . 4.500 3.951 3.350 4.325 . 0 0 "[ . 1 .]" 2
223 2 21 ARG H 2 22 LEU MD1 6.000 . 6.000 5.892 5.129 6.057 0.057 6 0 "[ . 1 .]" 2
224 2 21 ARG H 2 22 LEU H 4.500 . 4.500 2.759 2.498 3.506 . 0 0 "[ . 1 .]" 2
225 2 22 LEU HA 2 22 LEU MD1 4.500 . 4.500 3.517 2.684 3.761 . 0 0 "[ . 1 .]" 2
226 2 22 LEU HA 2 22 LEU MD2 4.500 . 4.500 3.105 2.255 3.690 . 0 0 "[ . 1 .]" 2
227 2 20 LEU MD2 2 22 LEU HB3 4.500 . 4.500 4.151 3.407 4.520 0.020 2 0 "[ . 1 .]" 2
228 2 20 LEU MD2 2 22 LEU HB2 4.500 . 4.500 2.916 1.906 3.664 . 0 0 "[ . 1 .]" 2
229 2 12 TYR QE 2 22 LEU MD1 4.500 . 4.500 3.554 1.869 4.333 . 0 0 "[ . 1 .]" 2
230 2 12 TYR HA 2 22 LEU MD2 6.000 . 6.000 5.502 4.827 5.999 . 0 0 "[ . 1 .]" 2
231 2 12 TYR QE 2 22 LEU MD2 4.500 . 4.500 2.761 2.232 3.916 . 0 0 "[ . 1 .]" 2
232 2 22 LEU MD1 2 22 LEU MD2 3.000 . 3.000 1.993 1.877 2.089 . 0 0 "[ . 1 .]" 2
233 2 22 LEU MD2 2 23 HIS HA 6.000 . 6.000 3.241 2.724 4.677 . 0 0 "[ . 1 .]" 2
234 2 22 LEU MD2 2 23 HIS HB3 6.000 . 6.000 4.708 4.197 5.995 . 0 0 "[ . 1 .]" 2
235 2 22 LEU MD2 2 23 HIS HB2 6.000 . 6.000 4.989 4.641 5.839 . 0 0 "[ . 1 .]" 2
236 2 22 LEU MD2 2 41 CYS HA 4.500 . 4.500 4.378 3.675 4.568 0.068 14 0 "[ . 1 .]" 2
237 2 22 LEU HG 2 24 TYR QD 6.000 . 6.000 4.940 3.166 5.811 . 0 0 "[ . 1 .]" 2
238 2 22 LEU HG 2 24 TYR QE 6.000 . 6.000 4.347 2.738 5.316 . 0 0 "[ . 1 .]" 2
239 2 12 TYR QE 2 22 LEU H 6.000 . 6.000 5.347 4.029 5.907 . 0 0 "[ . 1 .]" 2
240 2 20 LEU MD2 2 22 LEU H 4.500 . 4.500 3.085 2.168 4.446 . 0 0 "[ . 1 .]" 2
241 2 21 ARG HA 2 22 LEU H 4.500 . 4.500 2.899 2.467 3.338 . 0 0 "[ . 1 .]" 2
242 2 21 ARG QB 2 22 LEU H 4.500 . 4.500 3.767 3.242 4.078 . 0 0 "[ . 1 .]" 2
243 2 22 LEU H 2 22 LEU QB 3.000 . 3.000 2.182 2.077 2.304 . 0 0 "[ . 1 .]" 2
244 2 22 LEU H 2 22 LEU MD1 4.500 . 4.500 3.992 3.309 4.328 . 0 0 "[ . 1 .]" 2
245 2 22 LEU H 2 22 LEU MD2 4.500 . 4.500 4.256 4.005 4.456 . 0 0 "[ . 1 .]" 2
246 2 22 LEU H 2 22 LEU HG 4.500 . 4.500 4.226 3.153 4.504 0.004 13 0 "[ . 1 .]" 2
247 2 22 LEU H 2 23 HIS QB 6.000 . 6.000 5.048 4.714 5.528 . 0 0 "[ . 1 .]" 2
248 2 22 LEU H 2 23 HIS H 4.500 . 4.500 4.549 4.435 4.638 0.138 12 0 "[ . 1 .]" 2
249 2 22 LEU MD1 2 23 HIS HA 6.000 . 6.000 5.545 5.227 6.076 0.076 15 0 "[ . 1 .]" 2
250 2 23 HIS HA 2 23 HIS HD2 4.500 . 4.500 4.086 2.693 4.520 0.020 2 0 "[ . 1 .]" 2
251 2 23 HIS HA 2 24 TYR QD 6.000 . 6.000 3.259 2.719 4.053 . 0 0 "[ . 1 .]" 2
252 2 23 HIS HA 2 24 TYR QE 6.000 . 6.000 5.011 4.365 6.027 0.027 12 0 "[ . 1 .]" 2
253 2 23 HIS HA 2 25 VAL MG1 6.000 . 6.000 6.015 5.678 6.138 0.138 15 0 "[ . 1 .]" 2
254 2 23 HIS HD2 2 25 VAL HA 6.000 . 6.000 4.374 3.692 4.911 . 0 0 "[ . 1 .]" 2
255 2 23 HIS HD2 2 25 VAL HB 6.000 . 6.000 5.286 4.860 6.013 0.013 15 0 "[ . 1 .]" 2
256 2 23 HIS HD2 2 25 VAL MG1 4.500 . 4.500 2.832 2.450 3.956 . 0 0 "[ . 1 .]" 2
257 2 23 HIS HD2 2 25 VAL MG2 4.500 . 4.500 2.811 2.237 3.480 . 0 0 "[ . 1 .]" 2
258 2 21 ARG QB 2 23 HIS HE1 6.000 . 6.000 5.021 3.064 6.089 0.089 15 0 "[ . 1 .]" 2
259 2 21 ARG QD 2 23 HIS HE1 6.000 . 6.000 5.227 3.119 6.004 0.004 6 0 "[ . 1 .]" 2
260 2 21 ARG HG3 2 23 HIS HE1 6.000 . 6.000 4.477 2.774 5.334 . 0 0 "[ . 1 .]" 2
261 2 21 ARG HG2 2 23 HIS HE1 6.000 . 6.000 4.772 3.464 5.947 . 0 0 "[ . 1 .]" 2
262 2 23 HIS HE1 2 25 VAL MG1 6.000 . 6.000 5.545 4.495 6.040 0.040 9 0 "[ . 1 .]" 2
263 2 23 HIS HE1 2 25 VAL MG2 6.000 . 6.000 5.558 4.442 6.090 0.090 15 0 "[ . 1 .]" 2
264 2 22 LEU QB 2 23 HIS H 4.500 . 4.500 3.609 3.139 3.800 . 0 0 "[ . 1 .]" 2
265 2 22 LEU MD1 2 23 HIS H 4.500 . 4.500 4.435 4.039 4.592 0.092 9 0 "[ . 1 .]" 2
266 2 22 LEU MD2 2 23 HIS H 4.500 . 4.500 2.741 2.175 3.813 . 0 0 "[ . 1 .]" 2
267 2 22 LEU HG 2 23 HIS H 4.500 . 4.500 3.076 2.435 4.285 . 0 0 "[ . 1 .]" 2
268 2 23 HIS H 2 23 HIS HD2 6.000 . 6.000 4.619 4.114 5.648 . 0 0 "[ . 1 .]" 2
269 2 23 HIS H 2 24 TYR H 6.000 . 6.000 4.135 3.711 4.352 . 0 0 "[ . 1 .]" 2
270 2 23 HIS H 2 41 CYS HA 6.000 . 6.000 5.167 4.706 5.618 . 0 0 "[ . 1 .]" 2
271 2 23 HIS H 2 42 ARG H 6.000 . 6.000 3.611 3.207 3.964 . 0 0 "[ . 1 .]" 2
272 2 23 HIS H 2 43 VAL MG2 4.500 . 4.500 4.612 4.441 4.717 0.217 1 0 "[ . 1 .]" 2
273 2 24 TYR HA 2 40 GLU QB 6.000 . 6.000 4.452 4.120 5.092 . 0 0 "[ . 1 .]" 2
274 2 24 TYR HA 2 41 CYS HA 3.000 . 3.000 2.379 1.843 2.972 . 0 0 "[ . 1 .]" 2
275 2 24 TYR HA 2 42 ARG QB 6.000 . 6.000 4.884 4.196 5.454 . 0 0 "[ . 1 .]" 2
276 2 24 TYR HA 2 24 TYR QD 4.500 . 4.500 2.951 2.393 3.135 . 0 0 "[ . 1 .]" 2
277 2 24 TYR QD 2 39 VAL MG1 4.500 . 4.500 2.473 1.958 3.094 . 0 0 "[ . 1 .]" 2
278 2 24 TYR QD 2 39 VAL MG2 4.500 . 4.500 4.343 3.866 4.549 0.049 6 0 "[ . 1 .]" 2
279 2 24 TYR QD 2 41 CYS HA 4.500 . 4.500 3.291 3.066 3.536 . 0 0 "[ . 1 .]" 2
280 2 24 TYR QD 2 41 CYS QB 6.000 . 6.000 3.417 2.933 3.965 . 0 0 "[ . 1 .]" 2
281 2 24 TYR QD 2 64 ALA MB 4.500 . 4.500 2.225 1.889 3.183 . 0 0 "[ . 1 .]" 2
282 2 22 LEU MD1 2 24 TYR QE 6.000 . 6.000 3.671 2.498 4.586 . 0 0 "[ . 1 .]" 2
283 2 22 LEU MD2 2 24 TYR QE 6.000 . 6.000 2.077 1.771 2.672 0.029 9 0 "[ . 1 .]" 2
284 2 24 TYR HA 2 24 TYR QE 6.000 . 6.000 4.539 4.252 4.663 . 0 0 "[ . 1 .]" 2
285 2 24 TYR QE 2 39 VAL HB 4.500 . 4.500 4.576 4.525 4.628 0.128 6 0 "[ . 1 .]" 2
286 2 24 TYR QE 2 39 VAL MG1 6.000 . 6.000 4.135 3.308 4.723 . 0 0 "[ . 1 .]" 2
287 2 24 TYR QE 2 39 VAL MG2 6.000 . 6.000 5.109 4.657 5.320 . 0 0 "[ . 1 .]" 2
288 2 24 TYR QE 2 41 CYS HA 4.500 . 4.500 3.885 3.338 4.493 . 0 0 "[ . 1 .]" 2
289 2 24 TYR QE 2 61 GLY QA 6.000 . 6.000 5.079 3.919 5.617 . 0 0 "[ . 1 .]" 2
290 2 24 TYR QE 2 64 ALA HA 6.000 . 6.000 3.568 2.801 4.584 . 0 0 "[ . 1 .]" 2
291 2 24 TYR QE 2 64 ALA MB 4.500 . 4.500 1.878 1.781 2.107 0.019 5 0 "[ . 1 .]" 2
292 2 24 TYR HE2 2 41 CYS QB 4.500 . 4.500 2.989 2.120 4.552 0.052 14 0 "[ . 1 .]" 2
293 2 23 HIS HA 2 24 TYR H 4.500 . 4.500 2.186 2.136 2.315 . 0 0 "[ . 1 .]" 2
294 2 23 HIS QB 2 24 TYR H 4.500 . 4.500 3.135 2.700 3.968 . 0 0 "[ . 1 .]" 2
295 2 24 TYR H 2 24 TYR QD 4.500 . 4.500 2.321 2.225 2.497 . 0 0 "[ . 1 .]" 2
296 2 24 TYR H 2 24 TYR QE 4.500 . 4.500 4.620 4.525 4.789 0.289 12 0 "[ . 1 .]" 2
297 2 24 TYR H 2 25 VAL H 6.000 . 6.000 4.516 4.411 4.596 . 0 0 "[ . 1 .]" 2
298 2 23 HIS QB 2 25 VAL MG1 6.000 . 6.000 4.588 4.336 4.928 . 0 0 "[ . 1 .]" 2
299 2 24 TYR HA 2 25 VAL H 3.000 . 3.000 2.323 2.149 2.637 . 0 0 "[ . 1 .]" 2
300 2 24 TYR HB3 2 25 VAL H 6.000 . 6.000 2.735 1.988 3.579 . 0 0 "[ . 1 .]" 2
301 2 24 TYR HB2 2 25 VAL H 6.000 . 6.000 3.938 3.335 4.480 . 0 0 "[ . 1 .]" 2
302 2 24 TYR QD 2 25 VAL H 4.500 . 4.500 3.968 3.374 4.404 . 0 0 "[ . 1 .]" 2
303 2 25 VAL H 2 25 VAL QG 3.000 . 3.000 2.102 1.821 2.510 . 0 0 "[ . 1 .]" 2
304 2 25 VAL H 2 39 VAL MG1 4.500 . 4.500 3.269 2.538 3.827 . 0 0 "[ . 1 .]" 2
305 2 25 VAL H 2 41 CYS HA 4.500 . 4.500 3.699 3.191 4.128 . 0 0 "[ . 1 .]" 2
306 2 25 VAL H 2 42 ARG H 4.500 . 4.500 4.409 3.869 4.639 0.139 10 0 "[ . 1 .]" 2
307 2 25 VAL MG2 2 26 THR HA 6.000 . 6.000 5.112 4.735 5.408 . 0 0 "[ . 1 .]" 2
308 2 26 THR HA 2 39 VAL HA 4.500 . 4.500 2.420 2.162 2.760 . 0 0 "[ . 1 .]" 2
309 2 26 THR HB 2 29 LYS QE 6.000 . 6.000 5.427 4.316 5.956 . 0 0 "[ . 1 .]" 2
310 2 26 THR HB 2 39 VAL HA 6.000 . 6.000 5.317 5.082 5.495 . 0 0 "[ . 1 .]" 2
311 2 26 THR MG 2 29 LYS HA 4.500 . 4.500 3.841 3.091 4.465 . 0 0 "[ . 1 .]" 2
312 2 25 VAL HA 2 26 THR H 3.000 . 3.000 2.144 2.077 2.446 . 0 0 "[ . 1 .]" 2
313 2 25 VAL HB 2 26 THR H 4.500 . 4.500 3.532 2.883 3.900 . 0 0 "[ . 1 .]" 2
314 2 25 VAL QG 2 26 THR H 3.000 . 3.000 3.021 1.864 3.293 0.293 14 0 "[ . 1 .]" 2
315 2 26 THR H 2 26 THR MG 4.500 . 4.500 3.598 2.695 3.776 . 0 0 "[ . 1 .]" 2
316 2 26 THR H 2 27 VAL H 6.000 . 6.000 4.382 4.024 4.555 . 0 0 "[ . 1 .]" 2
317 2 26 THR MG 2 27 VAL HA 6.000 . 6.000 3.408 3.200 3.997 . 0 0 "[ . 1 .]" 2
318 2 27 VAL HA 2 28 LYS QB 4.500 . 4.500 4.227 4.175 4.285 . 0 0 "[ . 1 .]" 2
319 2 27 VAL HA 2 27 VAL HB 3.000 . 3.000 2.452 2.322 2.508 . 0 0 "[ . 1 .]" 2
320 2 27 VAL HA 2 27 VAL MG1 3.000 . 3.000 2.333 2.215 3.151 0.151 13 0 "[ . 1 .]" 2
321 2 25 VAL HB 2 27 VAL MG2 4.500 . 4.500 4.472 4.303 4.720 0.220 13 0 "[ . 1 .]" 2
322 2 27 VAL MG2 2 38 ILE HB 4.500 . 4.500 4.036 3.774 4.526 0.026 13 0 "[ . 1 .]" 2
323 2 27 VAL MG2 2 40 GLU HA 4.500 . 4.500 4.544 4.417 4.740 0.240 13 0 "[ . 1 .]" 2
324 2 27 VAL MG2 2 40 GLU QB 6.000 . 6.000 3.236 2.679 3.803 . 0 0 "[ . 1 .]" 2
325 2 27 VAL MG2 2 40 GLU QG 4.500 . 4.500 2.834 1.959 4.477 . 0 0 "[ . 1 .]" 2
326 2 26 THR HA 2 27 VAL H 3.000 . 3.000 2.153 2.117 2.242 . 0 0 "[ . 1 .]" 2
327 2 27 VAL H 2 27 VAL QG 3.000 . 3.000 2.037 1.786 2.272 0.014 13 0 "[ . 1 .]" 2
328 2 27 VAL H 2 28 LYS H 6.000 . 6.000 4.440 4.334 4.523 . 0 0 "[ . 1 .]" 2
329 2 27 VAL H 2 38 ILE HA 6.000 . 6.000 5.244 5.130 5.338 . 0 0 "[ . 1 .]" 2
330 2 27 VAL H 2 38 ILE H 6.000 . 6.000 4.127 3.802 4.706 . 0 0 "[ . 1 .]" 2
331 2 27 VAL H 2 39 VAL HA 6.000 . 6.000 2.768 2.121 3.139 . 0 0 "[ . 1 .]" 2
332 2 27 VAL H 2 40 GLU H 4.500 . 4.500 4.117 2.835 4.543 0.043 11 0 "[ . 1 .]" 2
333 2 27 VAL MG2 2 28 LYS HA 4.500 . 4.500 4.501 3.626 4.660 0.160 6 0 "[ . 1 .]" 2
334 2 28 LYS HA 2 28 LYS QD 4.500 . 4.500 2.179 1.846 2.931 . 0 0 "[ . 1 .]" 2
335 2 28 LYS QD 2 37 SER HA 6.000 . 6.000 3.716 2.256 5.250 . 0 0 "[ . 1 .]" 2
336 2 28 LYS QD 2 38 ILE MG 4.500 . 4.500 3.922 3.461 4.504 0.004 12 0 "[ . 1 .]" 2
337 2 27 VAL MG2 2 28 LYS QG 6.000 . 6.000 4.360 3.974 4.694 . 0 0 "[ . 1 .]" 2
338 2 26 THR MG 2 28 LYS H 4.500 . 4.500 4.553 4.447 4.595 0.095 9 0 "[ . 1 .]" 2
339 2 27 VAL HA 2 28 LYS H 4.500 . 4.500 2.269 2.139 2.346 . 0 0 "[ . 1 .]" 2
340 2 27 VAL HB 2 28 LYS H 4.500 . 4.500 2.733 2.460 3.994 . 0 0 "[ . 1 .]" 2
341 2 27 VAL MG2 2 28 LYS H 3.000 . 4.500 3.561 2.634 3.764 . 0 0 "[ . 1 .]" 2
342 2 28 LYS H 2 28 LYS QB 3.000 . 3.000 3.066 2.973 3.147 0.147 1 0 "[ . 1 .]" 2
343 2 28 LYS H 2 28 LYS QD 4.500 . 4.500 4.145 3.690 4.536 0.036 13 0 "[ . 1 .]" 2
344 2 28 LYS H 2 38 ILE H 4.500 . 6.000 5.132 4.994 5.266 . 0 0 "[ . 1 .]" 2
345 2 29 LYS HA 2 30 PRO HD3 6.000 . 6.000 2.101 1.802 2.761 . 0 0 "[ . 1 .]" 2
346 2 29 LYS HA 2 30 PRO HD2 6.000 . 6.000 2.452 1.803 2.975 . 0 0 "[ . 1 .]" 2
347 2 28 LYS HA 2 29 LYS H 4.500 . 4.500 2.562 2.180 2.682 . 0 0 "[ . 1 .]" 2
348 2 28 LYS QB 2 29 LYS H 4.500 . 4.500 3.950 3.672 4.015 . 0 0 "[ . 1 .]" 2
349 2 28 LYS H 2 29 LYS H 6.000 . 6.000 2.685 2.393 3.918 . 0 0 "[ . 1 .]" 2
350 2 29 LYS H 2 29 LYS QB 3.000 . 3.000 2.579 2.187 2.828 . 0 0 "[ . 1 .]" 2
351 2 29 LYS H 2 29 LYS QD 4.500 . 4.500 3.464 1.859 4.323 . 0 0 "[ . 1 .]" 2
352 2 29 LYS H 2 29 LYS QE 4.500 . 4.500 3.461 1.863 4.400 . 0 0 "[ . 1 .]" 2
353 2 29 LYS H 2 29 LYS QG 3.000 . 3.000 2.252 1.817 3.021 0.021 9 0 "[ . 1 .]" 2
354 2 29 LYS H 2 30 PRO QD 6.000 . 6.000 4.157 3.956 4.331 . 0 0 "[ . 1 .]" 2
355 2 29 LYS HA 2 30 PRO HA 6.000 . 6.000 4.438 4.393 4.538 . 0 0 "[ . 1 .]" 2
356 2 30 PRO HA 2 35 PRO HA 6.000 . 6.000 3.183 1.809 3.879 . 0 0 "[ . 1 .]" 2
357 2 30 PRO HB3 2 35 PRO HA 4.500 . 4.500 2.653 2.265 3.182 . 0 0 "[ . 1 .]" 2
358 2 30 PRO HB2 2 35 PRO HA 4.500 . 4.500 3.113 2.534 3.525 . 0 0 "[ . 1 .]" 2
359 2 30 PRO QG 2 35 PRO HA 4.500 . 4.500 4.399 4.101 4.585 0.085 15 0 "[ . 1 .]" 2
360 2 31 THR HA 2 31 THR MG 3.000 . 3.000 2.488 2.175 2.926 . 0 0 "[ . 1 .]" 2
361 2 31 THR HA 2 32 ALA HA 6.000 . 6.000 4.375 4.299 4.924 . 0 0 "[ . 1 .]" 2
362 2 31 THR HA 2 32 ALA MB 4.500 . 4.500 4.009 3.919 4.231 . 0 0 "[ . 1 .]" 2
363 2 31 THR HB 2 32 ALA HA 6.000 . 6.000 4.885 4.499 5.390 . 0 0 "[ . 1 .]" 2
364 2 31 THR HB 2 32 ALA MB 4.500 . 4.500 4.214 3.446 4.490 . 0 0 "[ . 1 .]" 2
365 2 31 THR HB 2 33 VAL QG 4.500 . 4.500 2.855 1.990 4.497 . 0 0 "[ . 1 .]" 2
366 2 28 LYS QD 2 31 THR MG 4.500 . 4.500 4.208 3.901 4.510 0.010 13 0 "[ . 1 .]" 2
367 2 28 LYS QE 2 31 THR MG 6.000 . 6.000 4.631 3.372 5.927 . 0 0 "[ . 1 .]" 2
368 2 28 LYS QG 2 31 THR MG 6.000 . 6.000 5.319 4.321 5.951 . 0 0 "[ . 1 .]" 2
369 2 31 THR MG 2 33 VAL QG 4.500 . 4.500 3.380 3.002 4.419 . 0 0 "[ . 1 .]" 2
370 2 31 THR MG 2 34 ASP HB3 6.000 . 6.000 3.892 1.890 5.492 . 0 0 "[ . 1 .]" 2
371 2 31 THR MG 2 34 ASP HB2 6.000 . 6.000 3.755 2.108 5.013 . 0 0 "[ . 1 .]" 2
372 2 30 PRO HA 2 31 THR H 3.000 . 3.000 2.352 2.185 2.632 . 0 0 "[ . 1 .]" 2
373 2 30 PRO HB3 2 31 THR H 3.000 . 3.000 2.986 2.626 3.135 0.135 8 0 "[ . 1 .]" 2
374 2 30 PRO HB2 2 31 THR H 3.000 . 3.000 2.920 2.119 3.140 0.140 12 0 "[ . 1 .]" 2
375 2 31 THR H 2 31 THR MG 4.500 . 4.500 2.777 1.937 3.284 . 0 0 "[ . 1 .]" 2
376 2 31 THR H 2 32 ALA HA 6.000 . 6.000 4.899 4.096 5.247 . 0 0 "[ . 1 .]" 2
377 2 31 THR H 2 32 ALA H 6.000 . 6.000 4.334 2.877 4.499 . 0 0 "[ . 1 .]" 2
378 2 31 THR H 2 33 VAL QG 6.000 . 6.000 5.054 4.792 5.834 . 0 0 "[ . 1 .]" 2
379 2 31 THR H 2 34 ASP HA 6.000 . 6.000 5.199 4.838 5.831 . 0 0 "[ . 1 .]" 2
380 2 31 THR H 2 34 ASP H 4.500 . 4.500 3.879 3.454 4.256 . 0 0 "[ . 1 .]" 2
381 2 31 THR H 2 35 PRO HD3 6.000 . 6.000 4.110 3.365 4.451 . 0 0 "[ . 1 .]" 2
382 2 31 THR H 2 35 PRO HD2 6.000 . 6.000 5.020 4.690 5.238 . 0 0 "[ . 1 .]" 2
383 2 31 THR H 2 36 ASN H 4.500 . 4.500 4.563 4.377 4.689 0.189 7 0 "[ . 1 .]" 2
384 2 32 ALA MB 2 33 VAL HB 6.000 . 6.000 5.202 4.211 5.500 . 0 0 "[ . 1 .]" 2
385 2 32 ALA MB 2 33 VAL QG 3.000 . 3.000 2.832 2.287 3.100 0.100 8 0 "[ . 1 .]" 2
386 2 31 THR MG 2 32 ALA H 4.500 . 4.500 3.765 3.277 4.173 . 0 0 "[ . 1 .]" 2
387 2 32 ALA H 2 32 ALA MB 3.000 . 3.000 2.231 2.076 2.973 . 0 0 "[ . 1 .]" 2
388 2 32 ALA H 2 33 VAL QG 4.500 . 4.500 3.301 2.870 3.732 . 0 0 "[ . 1 .]" 2
389 2 32 ALA H 2 33 VAL H 4.500 . 4.500 2.545 1.809 2.687 . 0 0 "[ . 1 .]" 2
390 2 32 ALA H 2 34 ASP H 6.000 . 6.000 3.881 2.174 4.210 . 0 0 "[ . 1 .]" 2
391 2 32 ALA MB 2 33 VAL HA 4.500 . 4.500 4.188 3.981 4.290 . 0 0 "[ . 1 .]" 2
392 2 33 VAL HA 2 33 VAL HB 3.000 . 3.000 2.443 2.292 2.618 . 0 0 "[ . 1 .]" 2
393 2 33 VAL HA 2 33 VAL QG 3.000 . 3.000 2.307 2.042 2.502 . 0 0 "[ . 1 .]" 2
394 2 31 THR MG 2 33 VAL H 4.500 . 4.500 3.999 3.596 4.457 . 0 0 "[ . 1 .]" 2
395 2 31 THR H 2 33 VAL H 6.000 . 6.000 4.437 4.229 5.361 . 0 0 "[ . 1 .]" 2
396 2 32 ALA MB 2 33 VAL H 4.500 . 4.500 3.303 2.440 3.530 . 0 0 "[ . 1 .]" 2
397 2 33 VAL H 2 33 VAL HA 3.000 . 3.000 2.924 2.909 2.940 . 0 0 "[ . 1 .]" 2
398 2 33 VAL H 2 33 VAL HB 3.000 . 4.500 3.817 3.578 3.918 . 0 0 "[ . 1 .]" 2
399 2 33 VAL H 2 33 VAL QG 3.000 . 3.000 2.124 1.948 2.289 . 0 0 "[ . 1 .]" 2
400 2 33 VAL H 2 34 ASP HA 4.500 . 4.500 4.499 4.401 4.661 0.161 14 0 "[ . 1 .]" 2
401 2 33 VAL H 2 34 ASP HB3 6.000 . 6.000 5.002 4.723 5.542 . 0 0 "[ . 1 .]" 2
402 2 33 VAL H 2 34 ASP HB2 6.000 . 6.000 4.159 3.682 5.480 . 0 0 "[ . 1 .]" 2
403 2 33 VAL QG 2 34 ASP HA 6.000 . 6.000 4.228 3.890 4.469 . 0 0 "[ . 1 .]" 2
404 2 34 ASP HA 2 35 PRO HA 6.000 . 6.000 4.785 4.747 4.848 . 0 0 "[ . 1 .]" 2
405 2 34 ASP HA 2 35 PRO HB3 6.000 . 6.000 5.671 5.505 5.852 . 0 0 "[ . 1 .]" 2
406 2 34 ASP HA 2 35 PRO QD 4.500 . 4.500 2.212 2.007 2.439 . 0 0 "[ . 1 .]" 2
407 2 34 ASP HA 2 35 PRO HD2 4.500 . 4.500 2.275 2.023 2.595 . 0 0 "[ . 1 .]" 2
408 2 34 ASP HA 2 35 PRO HG3 6.000 . 6.000 4.850 4.649 5.126 . 0 0 "[ . 1 .]" 2
409 2 34 ASP HA 2 35 PRO HG2 6.000 . 6.000 4.325 3.821 4.826 . 0 0 "[ . 1 .]" 2
410 2 33 VAL QG 2 34 ASP HB3 4.500 . 4.500 4.000 3.196 4.503 0.003 13 0 "[ . 1 .]" 2
411 2 33 VAL QG 2 34 ASP HB2 4.500 . 4.500 3.006 2.513 4.270 . 0 0 "[ . 1 .]" 2
412 2 31 THR MG 2 34 ASP H 4.500 . 4.500 4.122 3.179 4.533 0.033 8 0 "[ . 1 .]" 2
413 2 32 ALA MB 2 34 ASP H 4.500 . 4.500 4.512 3.964 4.664 0.164 11 0 "[ . 1 .]" 2
414 2 33 VAL HA 2 34 ASP H 3.000 . 3.000 3.121 3.011 3.330 0.330 11 0 "[ . 1 .]" 2
415 2 33 VAL HB 2 34 ASP H 4.500 . 4.500 4.337 3.933 4.538 0.038 8 0 "[ . 1 .]" 2
416 2 33 VAL QG 2 34 ASP H 3.000 . 3.000 2.936 2.299 3.079 0.079 8 0 "[ . 1 .]" 2
417 2 34 ASP H 2 35 PRO HD3 6.000 . 6.000 2.060 1.805 2.517 . 0 0 "[ . 1 .]" 2
418 2 34 ASP H 2 35 PRO HD2 6.000 . 6.000 2.943 2.385 3.597 . 0 0 "[ . 1 .]" 2
419 2 34 ASP H 2 36 ASN H 6.000 . 6.000 4.910 4.547 5.472 . 0 0 "[ . 1 .]" 2
420 2 34 ASP HA 2 35 PRO HD3 4.500 . 4.500 3.180 2.815 3.450 . 0 0 "[ . 1 .]" 2
421 2 36 ASN HA 2 53 VAL QG 4.500 . 4.500 3.909 3.321 4.509 0.009 10 0 "[ . 1 .]" 2
422 2 36 ASN HA 2 55 ARG HA 4.500 . 4.500 2.215 1.988 2.508 . 0 0 "[ . 1 .]" 2
423 2 36 ASN HA 2 55 ARG QB 4.500 . 4.500 4.060 3.835 4.350 . 0 0 "[ . 1 .]" 2
424 2 36 ASN HA 2 55 ARG QG 6.000 . 6.000 4.839 4.050 5.234 . 0 0 "[ . 1 .]" 2
425 2 36 ASN HB3 2 53 VAL QG 4.500 . 4.500 3.890 3.006 4.517 0.017 10 0 "[ . 1 .]" 2
426 2 36 ASN HB2 2 53 VAL QG 4.500 . 4.500 3.437 2.668 4.600 0.100 15 0 "[ . 1 .]" 2
427 2 36 ASN H 2 36 ASN HD21 4.500 . 4.500 4.045 2.715 4.559 0.059 14 0 "[ . 1 .]" 2
428 2 36 ASN HD21 2 37 SER H 6.000 . 6.000 4.476 3.722 5.373 . 0 0 "[ . 1 .]" 2
429 2 36 ASN HD21 2 53 VAL QG 4.500 . 4.500 3.629 3.174 4.577 0.077 12 0 "[ . 1 .]" 2
430 2 36 ASN H 2 36 ASN HD22 4.500 . 4.500 4.489 3.993 4.608 0.108 11 0 "[ . 1 .]" 2
431 2 36 ASN HD22 2 37 SER H 6.000 . 6.000 5.612 5.038 6.044 0.044 14 0 "[ . 1 .]" 2
432 2 36 ASN HD22 2 53 VAL QG 4.500 . 4.500 4.402 3.627 4.589 0.089 11 0 "[ . 1 .]" 2
433 2 34 ASP HA 2 36 ASN H 4.500 . 4.500 3.536 3.089 4.552 0.052 15 0 "[ . 1 .]" 2
434 2 35 PRO QB 2 36 ASN H 3.000 . 3.000 2.640 1.838 3.040 0.040 3 0 "[ . 1 .]" 2
435 2 35 PRO QD 2 36 ASN H 4.500 . 4.500 3.238 2.920 3.550 . 0 0 "[ . 1 .]" 2
436 2 35 PRO QG 2 36 ASN H 4.500 . 4.500 3.406 1.996 4.061 . 0 0 "[ . 1 .]" 2
437 2 36 ASN H 2 36 ASN QB 3.000 . 3.000 2.487 2.138 3.017 0.017 2 0 "[ . 1 .]" 2
438 2 36 ASN H 2 37 SER H 4.500 . 4.500 4.401 3.928 4.569 0.069 11 0 "[ . 1 .]" 2
439 2 36 ASN H 2 56 ASN H 6.000 . 6.000 5.815 5.411 6.054 0.054 10 0 "[ . 1 .]" 2
440 2 36 ASN H 2 57 ILE MG 4.500 . 4.500 4.527 4.338 4.693 0.193 10 0 "[ . 1 .]" 2
441 2 28 LYS QB 2 37 SER HA 4.500 . 4.500 2.652 2.284 2.997 . 0 0 "[ . 1 .]" 2
442 2 28 LYS QB 2 37 SER QB 6.000 . 6.000 3.770 2.823 4.759 . 0 0 "[ . 1 .]" 2
443 2 29 LYS QB 2 37 SER QB 6.000 . 6.000 5.632 5.231 5.943 . 0 0 "[ . 1 .]" 2
444 2 30 PRO HA 2 37 SER QB 6.000 . 6.000 3.557 2.973 4.466 . 0 0 "[ . 1 .]" 2
445 2 37 SER QB 2 57 ILE HA 4.500 . 4.500 3.034 1.868 3.448 . 0 0 "[ . 1 .]" 2
446 2 37 SER QB 2 57 ILE HB 4.500 . 4.500 2.582 2.134 2.940 . 0 0 "[ . 1 .]" 2
447 2 37 SER QB 2 57 ILE MD 4.500 . 4.500 4.145 3.694 4.508 0.008 13 0 "[ . 1 .]" 2
448 2 37 SER QB 2 57 ILE QG 4.500 . 4.500 4.277 3.768 4.579 0.079 13 0 "[ . 1 .]" 2
449 2 37 SER QB 2 57 ILE MG 4.500 . 4.500 2.240 1.794 2.710 0.006 15 0 "[ . 1 .]" 2
450 2 37 SER QB 2 60 ALA MB 4.500 . 4.500 3.376 2.623 3.918 . 0 0 "[ . 1 .]" 2
451 2 36 ASN HB3 2 37 SER H 4.500 . 4.500 4.002 3.399 4.375 . 0 0 "[ . 1 .]" 2
452 2 36 ASN HB2 2 37 SER H 4.500 . 4.500 3.594 2.761 4.633 0.133 13 0 "[ . 1 .]" 2
453 2 37 SER H 2 38 ILE H 6.000 . 6.000 4.408 4.274 4.472 . 0 0 "[ . 1 .]" 2
454 2 37 SER H 2 53 VAL HA 4.500 . 4.500 4.355 4.128 4.561 0.061 1 0 "[ . 1 .]" 2
455 2 37 SER H 2 53 VAL QG 4.500 . 4.500 3.195 2.934 3.596 . 0 0 "[ . 1 .]" 2
456 2 37 SER H 2 54 GLY H 4.500 . 4.500 2.684 2.376 2.939 . 0 0 "[ . 1 .]" 2
457 2 37 SER H 2 55 ARG HA 4.500 . 4.500 4.026 3.829 4.244 . 0 0 "[ . 1 .]" 2
458 2 37 SER H 2 57 ILE HA 6.000 . 6.000 3.157 2.797 3.580 . 0 0 "[ . 1 .]" 2
459 2 37 SER H 2 57 ILE MD 6.000 . 6.000 5.760 5.393 6.036 0.036 2 0 "[ . 1 .]" 2
460 2 37 SER H 2 60 ALA MB 6.000 . 6.000 3.543 3.321 3.799 . 0 0 "[ . 1 .]" 2
461 2 38 ILE HA 2 39 VAL MG2 4.500 . 4.500 3.111 2.953 3.456 . 0 0 "[ . 1 .]" 2
462 2 38 ILE HA 2 53 VAL HA 4.500 . 4.500 1.972 1.819 2.185 . 0 0 "[ . 1 .]" 2
463 2 38 ILE HA 2 53 VAL HB 6.000 . 6.000 3.538 3.094 4.777 . 0 0 "[ . 1 .]" 2
464 2 38 ILE HA 2 53 VAL QG 4.500 . 4.500 2.706 2.319 3.247 . 0 0 "[ . 1 .]" 2
465 2 38 ILE HA 2 60 ALA MB 4.500 . 4.500 2.671 2.160 3.178 . 0 0 "[ . 1 .]" 2
466 2 38 ILE HA 2 38 ILE MD 4.500 . 4.500 3.030 1.854 3.700 . 0 0 "[ . 1 .]" 2
467 2 38 ILE MD 2 51 THR HB 4.500 . 4.500 3.254 1.913 4.238 . 0 0 "[ . 1 .]" 2
468 2 38 ILE MD 2 51 THR MG 4.500 . 4.500 2.444 1.791 3.573 0.009 6 0 "[ . 1 .]" 2
469 2 38 ILE MD 2 52 GLY QA 6.000 . 6.000 3.425 2.819 4.402 . 0 0 "[ . 1 .]" 2
470 2 38 ILE MD 2 53 VAL HA 4.500 . 4.500 3.475 2.264 4.579 0.079 9 0 "[ . 1 .]" 2
471 2 38 ILE MD 2 53 VAL HB 4.500 . 4.500 2.622 1.808 4.495 . 0 0 "[ . 1 .]" 2
472 2 27 VAL HA 2 38 ILE MG 6.000 . 6.000 4.266 3.849 4.456 . 0 0 "[ . 1 .]" 2
473 2 27 VAL HB 2 38 ILE MG 4.500 . 4.500 3.515 3.174 3.708 . 0 0 "[ . 1 .]" 2
474 2 28 LYS HA 2 38 ILE MG 4.500 . 4.500 4.041 3.770 4.477 . 0 0 "[ . 1 .]" 2
475 2 28 LYS QE 2 38 ILE MG 4.500 . 4.500 4.205 3.016 4.523 0.023 9 0 "[ . 1 .]" 2
476 2 37 SER HA 2 38 ILE MG 6.000 . 6.000 3.667 3.332 4.180 . 0 0 "[ . 1 .]" 2
477 2 38 ILE MG 2 53 VAL HA 4.500 . 4.500 4.521 4.164 4.614 0.114 2 0 "[ . 1 .]" 2
478 2 37 SER QB 2 38 ILE H 4.500 . 4.500 3.191 2.473 3.805 . 0 0 "[ . 1 .]" 2
479 2 38 ILE H 2 38 ILE HB 3.000 . 3.000 3.102 2.942 3.234 0.234 15 0 "[ . 1 .]" 2
480 2 38 ILE H 2 39 VAL MG2 4.500 . 4.500 4.490 4.368 4.602 0.102 7 0 "[ . 1 .]" 2
481 2 27 VAL MG1 2 39 VAL HA 4.500 . 4.500 4.304 2.317 4.556 0.056 3 0 "[ . 1 .]" 2
482 2 39 VAL HA 2 60 ALA MB 6.000 . 6.000 4.487 4.330 4.792 . 0 0 "[ . 1 .]" 2
483 2 24 TYR HA 2 39 VAL MG1 6.000 . 6.000 4.282 3.920 4.931 . 0 0 "[ . 1 .]" 2
484 2 24 TYR HB3 2 39 VAL MG1 6.000 . 6.000 2.676 2.112 3.207 . 0 0 "[ . 1 .]" 2
485 2 24 TYR HB2 2 39 VAL MG1 6.000 . 6.000 4.006 3.362 4.585 . 0 0 "[ . 1 .]" 2
486 2 26 THR HB 2 39 VAL MG1 6.000 . 6.000 4.346 3.931 4.807 . 0 0 "[ . 1 .]" 2
487 2 37 SER QB 2 39 VAL MG2 6.000 . 6.000 4.362 3.290 4.842 . 0 0 "[ . 1 .]" 2
488 2 38 ILE HA 2 39 VAL H 4.500 . 4.500 2.253 2.117 2.408 . 0 0 "[ . 1 .]" 2
489 2 38 ILE H 2 39 VAL H 4.500 . 4.500 4.400 4.098 4.529 0.029 3 0 "[ . 1 .]" 2
490 2 39 VAL H 2 39 VAL MG2 3.000 . 3.000 2.136 1.837 2.349 . 0 0 "[ . 1 .]" 2
491 2 39 VAL H 2 52 GLY H 6.000 . 6.000 2.671 2.240 3.808 . 0 0 "[ . 1 .]" 2
492 2 39 VAL H 2 53 VAL HA 4.500 . 4.500 3.449 2.969 3.706 . 0 0 "[ . 1 .]" 2
493 2 39 VAL H 2 53 VAL HB 6.000 . 6.000 4.811 4.227 5.995 . 0 0 "[ . 1 .]" 2
494 2 39 VAL H 2 60 ALA MB 4.500 . 4.500 3.090 2.552 3.294 . 0 0 "[ . 1 .]" 2
495 2 40 GLU HA 2 42 ARG QB 6.000 . 6.000 5.271 4.739 6.095 0.095 14 0 "[ . 1 .]" 2
496 2 40 GLU HA 2 51 THR MG 4.500 . 4.500 3.394 1.865 4.555 0.055 13 0 "[ . 1 .]" 2
497 2 25 VAL HB 2 40 GLU H 4.500 . 4.500 4.168 3.333 4.548 0.048 11 0 "[ . 1 .]" 2
498 2 25 VAL H 2 40 GLU H 4.500 . 4.500 2.714 2.041 3.242 . 0 0 "[ . 1 .]" 2
499 2 26 THR HA 2 40 GLU H 4.500 . 4.500 3.497 3.129 3.971 . 0 0 "[ . 1 .]" 2
500 2 26 THR HB 2 40 GLU H 6.000 . 6.000 6.033 5.852 6.111 0.111 6 0 "[ . 1 .]" 2
501 2 39 VAL HA 2 40 GLU H 3.000 . 3.000 2.353 2.223 2.598 . 0 0 "[ . 1 .]" 2
502 2 39 VAL MG1 2 40 GLU H 3.000 . 3.000 2.262 1.850 2.966 . 0 0 "[ . 1 .]" 2
503 2 39 VAL MG2 2 40 GLU H 4.500 . 4.500 4.186 3.895 4.481 . 0 0 "[ . 1 .]" 2
504 2 40 GLU H 2 41 CYS H 6.000 . 6.000 4.175 3.698 4.420 . 0 0 "[ . 1 .]" 2
505 2 40 GLU HA 2 41 CYS H 4.500 . 4.500 2.164 2.111 2.309 . 0 0 "[ . 1 .]" 2
506 2 41 CYS H 2 42 ARG QB 4.500 . 4.500 4.482 4.283 4.609 0.109 2 0 "[ . 1 .]" 2
507 2 41 CYS H 2 48 VAL MG1 6.000 . 6.000 2.892 2.453 3.681 . 0 0 "[ . 1 .]" 2
508 2 41 CYS H 2 48 VAL MG2 6.000 . 6.000 4.727 3.959 5.998 . 0 0 "[ . 1 .]" 2
509 2 41 CYS H 2 50 GLY H 4.500 . 4.500 3.339 2.682 4.238 . 0 0 "[ . 1 .]" 2
510 2 41 CYS H 2 51 THR HA 4.500 . 4.500 2.919 2.109 4.024 . 0 0 "[ . 1 .]" 2
511 2 41 CYS H 2 51 THR MG 6.000 . 6.000 4.201 2.956 5.296 . 0 0 "[ . 1 .]" 2
512 2 41 CYS H 2 52 GLY H 6.000 . 6.000 4.967 4.392 5.384 . 0 0 "[ . 1 .]" 2
513 2 42 ARG HA 2 43 VAL MG1 6.000 . 6.000 4.022 3.203 4.315 . 0 0 "[ . 1 .]" 2
514 2 42 ARG HA 2 43 VAL MG2 4.500 . 4.500 3.194 2.889 4.060 . 0 0 "[ . 1 .]" 2
515 2 42 ARG HA 2 48 VAL HA 4.500 . 4.500 1.957 1.828 2.276 . 0 0 "[ . 1 .]" 2
516 2 42 ARG HA 2 48 VAL MG1 6.000 . 6.000 3.620 3.344 3.822 . 0 0 "[ . 1 .]" 2
517 2 42 ARG HA 2 48 VAL MG2 6.000 . 6.000 3.673 3.317 4.078 . 0 0 "[ . 1 .]" 2
518 2 42 ARG HA 2 49 LEU MD1 6.000 . 6.000 3.346 2.523 5.205 . 0 0 "[ . 1 .]" 2
519 2 24 TYR HA 2 42 ARG H 4.500 . 4.500 2.854 2.483 3.140 . 0 0 "[ . 1 .]" 2
520 2 24 TYR QD 2 42 ARG H 6.000 . 6.000 4.225 3.401 4.667 . 0 0 "[ . 1 .]" 2
521 2 24 TYR QE 2 42 ARG H 6.000 . 6.000 4.970 4.094 5.517 . 0 0 "[ . 1 .]" 2
522 2 25 VAL QG 2 42 ARG H 4.500 . 4.500 3.649 2.719 3.930 . 0 0 "[ . 1 .]" 2
523 2 41 CYS HA 2 42 ARG H 3.000 . 3.000 2.174 2.121 2.264 . 0 0 "[ . 1 .]" 2
524 2 42 ARG H 2 42 ARG QD 6.000 . 6.000 4.389 3.435 5.300 . 0 0 "[ . 1 .]" 2
525 2 42 ARG H 2 43 VAL MG1 4.500 . 4.500 4.472 3.852 4.685 0.185 12 0 "[ . 1 .]" 2
526 2 42 ARG H 2 43 VAL H 6.000 . 6.000 4.326 3.963 4.461 . 0 0 "[ . 1 .]" 2
527 2 42 ARG H 2 48 VAL MG1 4.500 . 4.500 4.506 4.383 4.620 0.120 14 0 "[ . 1 .]" 2
528 2 21 ARG QB 2 43 VAL HA 6.000 . 6.000 4.138 3.476 4.938 . 0 0 "[ . 1 .]" 2
529 2 22 LEU MD2 2 43 VAL HA 6.000 . 6.000 4.512 3.830 4.988 . 0 0 "[ . 1 .]" 2
530 2 20 LEU QB 2 43 VAL HB 6.000 . 6.000 4.610 2.798 5.763 . 0 0 "[ . 1 .]" 2
531 2 22 LEU MD2 2 43 VAL HB 6.000 . 6.000 5.668 4.365 6.000 . 0 0 "[ . 1 .]" 2
532 2 22 LEU QB 2 43 VAL MG1 6.000 . 6.000 2.588 2.002 3.486 . 0 0 "[ . 1 .]" 2
533 2 43 VAL MG1 2 43 VAL MG2 3.000 . 3.000 2.031 1.926 2.083 . 0 0 "[ . 1 .]" 2
534 2 43 VAL MG1 2 47 THR HB 4.500 . 4.500 4.203 2.734 4.533 0.033 9 0 "[ . 1 .]" 2
535 2 43 VAL MG1 2 78 TYR QD 6.000 . 6.000 4.983 4.157 5.397 . 0 0 "[ . 1 .]" 2
536 2 43 VAL MG1 2 78 TYR QE 4.500 . 4.500 3.788 2.439 4.375 . 0 0 "[ . 1 .]" 2
537 2 43 VAL MG2 2 47 THR HA 4.500 . 4.500 3.901 3.340 4.159 . 0 0 "[ . 1 .]" 2
538 2 43 VAL MG2 2 47 THR HB 4.500 . 4.500 1.835 1.726 2.171 0.074 15 0 "[ . 1 .]" 2
539 2 43 VAL MG2 2 78 TYR QE 4.500 . 4.500 3.414 2.804 3.743 . 0 0 "[ . 1 .]" 2
540 2 42 ARG HA 2 43 VAL H 4.500 . 4.500 2.499 2.105 2.848 . 0 0 "[ . 1 .]" 2
541 2 42 ARG QB 2 43 VAL H 4.500 . 4.500 2.570 1.882 3.760 . 0 0 "[ . 1 .]" 2
542 2 42 ARG QG 2 43 VAL H 6.000 . 6.000 2.633 1.847 4.124 . 0 0 "[ . 1 .]" 2
543 2 43 VAL H 2 43 VAL MG1 3.000 . 4.500 3.362 2.356 3.715 . 0 0 "[ . 1 .]" 2
544 2 43 VAL H 2 43 VAL MG2 3.000 . 3.000 2.071 1.899 2.331 . 0 0 "[ . 1 .]" 2
545 2 43 VAL H 2 47 THR HA 6.000 . 6.000 4.529 4.318 5.289 . 0 0 "[ . 1 .]" 2
546 2 43 VAL H 2 48 VAL HA 4.500 . 4.500 3.697 3.439 3.873 . 0 0 "[ . 1 .]" 2
547 2 43 VAL H 2 48 VAL H 6.000 . 6.000 4.746 4.376 5.266 . 0 0 "[ . 1 .]" 2
548 2 43 VAL H 2 49 LEU QD 4.500 . 4.500 3.151 1.973 3.786 . 0 0 "[ . 1 .]" 2
549 2 43 VAL H 2 49 LEU H 6.000 . 6.000 4.481 3.528 5.958 . 0 0 "[ . 1 .]" 2
550 2 21 ARG HG3 2 44 GLY HA3 6.000 . 6.000 3.825 1.855 6.008 0.008 9 0 "[ . 1 .]" 2
551 2 21 ARG HG2 2 44 GLY HA3 6.000 . 6.000 3.227 1.872 5.769 . 0 0 "[ . 1 .]" 2
552 2 21 ARG HG3 2 44 GLY HA2 6.000 . 6.000 4.008 3.027 6.019 0.019 15 0 "[ . 1 .]" 2
553 2 21 ARG HG2 2 44 GLY HA2 6.000 . 6.000 3.545 1.880 5.520 . 0 0 "[ . 1 .]" 2
554 2 20 LEU QB 2 44 GLY H 6.000 . 6.000 5.687 4.562 6.069 0.069 10 0 "[ . 1 .]" 2
555 2 21 ARG HG3 2 44 GLY H 6.000 . 6.000 3.477 1.953 4.965 . 0 0 "[ . 1 .]" 2
556 2 21 ARG HG2 2 44 GLY H 6.000 . 6.000 3.521 2.238 4.987 . 0 0 "[ . 1 .]" 2
557 2 21 ARG H 2 44 GLY H 6.000 . 6.000 5.441 3.884 6.065 0.065 2 0 "[ . 1 .]" 2
558 2 23 HIS H 2 44 GLY H 6.000 . 6.000 4.254 3.242 5.210 . 0 0 "[ . 1 .]" 2
559 2 43 VAL HB 2 44 GLY H 4.500 . 4.500 3.095 2.686 3.408 . 0 0 "[ . 1 .]" 2
560 2 43 VAL H 2 44 GLY H 6.000 . 6.000 4.347 4.241 4.613 . 0 0 "[ . 1 .]" 2
561 2 44 GLY H 2 44 GLY HA3 3.000 . 3.000 2.483 2.273 2.847 . 0 0 "[ . 1 .]" 2
562 2 44 GLY H 2 44 GLY HA2 3.000 . 3.000 2.540 2.294 2.746 . 0 0 "[ . 1 .]" 2
563 2 44 GLY H 2 45 ASP H 4.500 . 4.500 2.914 2.609 3.151 . 0 0 "[ . 1 .]" 2
564 2 43 VAL MG1 2 45 ASP H 4.500 . 4.500 4.327 3.979 4.802 0.302 14 0 "[ . 1 .]" 2
565 2 43 VAL MG2 2 45 ASP H 4.500 . 4.500 3.591 2.232 4.629 0.129 4 0 "[ . 1 .]" 2
566 2 44 GLY HA3 2 45 ASP H 4.500 . 4.500 3.084 2.874 3.396 . 0 0 "[ . 1 .]" 2
567 2 44 GLY HA2 2 45 ASP H 4.500 . 4.500 3.393 3.095 3.530 . 0 0 "[ . 1 .]" 2
568 2 45 ASP H 2 45 ASP HA 3.000 . 3.000 2.629 2.265 2.845 . 0 0 "[ . 1 .]" 2
569 2 45 ASP H 2 45 ASP QB 3.000 . 3.000 2.507 2.088 3.055 0.055 4 0 "[ . 1 .]" 2
570 2 45 ASP H 2 46 GLY QA 4.500 . 4.500 4.560 4.506 4.609 0.109 9 0 "[ . 1 .]" 2
571 2 45 ASP H 2 46 GLY H 4.500 . 4.500 2.654 2.533 2.898 . 0 0 "[ . 1 .]" 2
572 2 45 ASP H 2 47 THR H 4.500 . 4.500 4.024 3.768 4.256 . 0 0 "[ . 1 .]" 2
573 2 43 VAL MG1 2 46 GLY H 6.000 . 6.000 5.334 4.707 5.983 . 0 0 "[ . 1 .]" 2
574 2 43 VAL MG2 2 46 GLY H 4.500 . 4.500 3.547 2.147 4.403 . 0 0 "[ . 1 .]" 2
575 2 43 VAL H 2 46 GLY H 6.000 . 6.000 3.634 2.956 5.057 . 0 0 "[ . 1 .]" 2
576 2 45 ASP HB3 2 46 GLY H 6.000 . 6.000 3.813 2.905 4.558 . 0 0 "[ . 1 .]" 2
577 2 45 ASP HB2 2 46 GLY H 6.000 . 6.000 4.101 3.271 4.641 . 0 0 "[ . 1 .]" 2
578 2 46 GLY H 2 46 GLY HA3 3.000 . 3.000 2.842 2.583 2.953 . 0 0 "[ . 1 .]" 2
579 2 46 GLY H 2 46 GLY HA2 3.000 . 3.000 2.529 2.315 2.937 . 0 0 "[ . 1 .]" 2
580 2 46 GLY H 2 47 THR HB 4.500 . 4.500 4.355 4.050 4.551 0.051 15 0 "[ . 1 .]" 2
581 2 46 GLY H 2 47 THR MG 6.000 . 6.000 5.440 5.199 5.660 . 0 0 "[ . 1 .]" 2
582 2 46 GLY H 2 47 THR H 4.500 . 4.500 2.203 1.822 2.393 . 0 0 "[ . 1 .]" 2
583 2 47 THR HA 2 47 THR MG 3.000 . 3.000 2.444 2.146 2.552 . 0 0 "[ . 1 .]" 2
584 2 47 THR HB 2 49 LEU MD2 4.500 . 4.500 4.237 2.833 4.524 0.024 6 0 "[ . 1 .]" 2
585 2 43 VAL MG1 2 47 THR MG 4.500 . 4.500 4.281 3.323 4.543 0.043 10 0 "[ . 1 .]" 2
586 2 43 VAL MG2 2 47 THR MG 3.000 . 3.000 2.578 1.850 3.084 0.084 15 0 "[ . 1 .]" 2
587 2 47 THR MG 2 49 LEU HA 4.500 . 4.500 3.483 3.061 4.132 . 0 0 "[ . 1 .]" 2
588 2 47 THR MG 2 49 LEU MD1 3.000 . 3.000 1.961 1.665 2.239 0.135 14 0 "[ . 1 .]" 2
589 2 47 THR MG 2 74 MET ME 4.500 . 4.500 4.330 3.594 4.540 0.040 8 0 "[ . 1 .]" 2
590 2 47 THR MG 2 78 TYR QE 4.500 . 4.500 3.595 2.853 4.318 . 0 0 "[ . 1 .]" 2
591 2 43 VAL MG2 2 47 THR H 4.500 . 4.500 2.532 1.798 3.497 0.002 15 0 "[ . 1 .]" 2
592 2 43 VAL H 2 47 THR H 6.000 . 6.000 2.692 2.352 3.695 . 0 0 "[ . 1 .]" 2
593 2 46 GLY QA 2 47 THR H 4.500 . 4.500 2.724 2.625 2.942 . 0 0 "[ . 1 .]" 2
594 2 47 THR H 2 47 THR MG 4.500 . 4.500 3.816 3.709 3.985 . 0 0 "[ . 1 .]" 2
595 2 47 THR H 2 48 VAL H 4.500 . 4.500 4.230 4.032 4.378 . 0 0 "[ . 1 .]" 2
596 2 40 GLU HA 2 48 VAL HA 6.000 . 6.000 6.125 6.048 6.278 0.278 15 0 "[ . 1 .]" 2
597 2 40 GLU HA 2 48 VAL MG1 4.500 . 4.500 3.636 3.368 4.130 . 0 0 "[ . 1 .]" 2
598 2 40 GLU QB 2 48 VAL MG1 6.000 . 6.000 3.644 2.434 5.008 . 0 0 "[ . 1 .]" 2
599 2 40 GLU QG 2 48 VAL MG1 6.000 . 6.000 3.205 1.815 3.961 . 0 0 "[ . 1 .]" 2
600 2 42 ARG QB 2 48 VAL MG1 4.500 . 4.500 3.020 2.699 3.670 . 0 0 "[ . 1 .]" 2
601 2 42 ARG QG 2 48 VAL MG1 6.000 . 6.000 4.591 3.608 4.995 . 0 0 "[ . 1 .]" 2
602 2 48 VAL MG1 2 51 THR MG 4.500 . 4.500 3.572 2.854 4.308 . 0 0 "[ . 1 .]" 2
603 2 40 GLU HA 2 48 VAL MG2 6.000 . 6.000 5.021 4.441 6.021 0.021 15 0 "[ . 1 .]" 2
604 2 42 ARG QB 2 48 VAL MG2 4.500 . 4.500 2.339 1.732 4.365 0.068 12 0 "[ . 1 .]" 2
605 2 47 THR HA 2 48 VAL H 3.000 . 3.000 2.152 2.123 2.243 . 0 0 "[ . 1 .]" 2
606 2 47 THR HB 2 48 VAL H 6.000 . 6.000 4.355 4.095 4.537 . 0 0 "[ . 1 .]" 2
607 2 47 THR MG 2 48 VAL H 4.500 . 4.500 2.795 2.441 3.225 . 0 0 "[ . 1 .]" 2
608 2 48 VAL H 2 48 VAL MG1 4.500 . 4.500 3.769 3.730 3.812 . 0 0 "[ . 1 .]" 2
609 2 48 VAL H 2 48 VAL MG2 3.000 . 3.000 2.435 1.860 2.714 . 0 0 "[ . 1 .]" 2
610 2 48 VAL H 2 49 LEU HA 6.000 . 6.000 5.112 4.940 5.256 . 0 0 "[ . 1 .]" 2
611 2 48 VAL H 2 49 LEU MD1 4.500 . 4.500 4.160 3.143 4.528 0.028 12 0 "[ . 1 .]" 2
612 2 48 VAL H 2 49 LEU H 6.000 . 6.000 4.070 2.981 4.367 . 0 0 "[ . 1 .]" 2
613 2 43 VAL MG2 2 49 LEU MD1 3.000 . 3.000 2.390 1.757 3.063 0.063 14 0 "[ . 1 .]" 2
614 2 47 THR HA 2 49 LEU MD1 6.000 . 6.000 4.433 3.362 4.903 . 0 0 "[ . 1 .]" 2
615 2 49 LEU HA 2 49 LEU MD1 4.500 . 4.500 1.865 1.792 2.030 0.008 5 0 "[ . 1 .]" 2
616 2 49 LEU QB 2 49 LEU MD1 3.000 . 3.000 2.560 2.481 2.638 . 0 0 "[ . 1 .]" 2
617 2 49 LEU MD1 2 74 MET ME 4.500 . 4.500 2.418 1.768 3.185 0.032 7 0 "[ . 1 .]" 2
618 2 49 LEU MD1 2 74 MET HG3 4.500 . 4.500 2.360 1.776 3.230 0.024 10 0 "[ . 1 .]" 2
619 2 49 LEU MD1 2 74 MET HG2 4.500 . 4.500 3.261 2.895 3.611 . 0 0 "[ . 1 .]" 2
620 2 48 VAL HA 2 49 LEU MD2 4.500 . 4.500 3.530 3.171 4.552 0.052 14 0 "[ . 1 .]" 2
621 2 49 LEU HA 2 49 LEU MD2 4.500 . 4.500 3.593 3.360 3.852 . 0 0 "[ . 1 .]" 2
622 2 49 LEU MD2 2 74 MET ME 4.500 . 4.500 3.321 2.287 3.755 . 0 0 "[ . 1 .]" 2
623 2 42 ARG HA 2 49 LEU H 6.000 . 6.000 2.552 1.804 5.563 . 0 0 "[ . 1 .]" 2
624 2 48 VAL HA 2 49 LEU H 4.500 . 4.500 2.402 2.153 3.661 . 0 0 "[ . 1 .]" 2
625 2 48 VAL MG1 2 49 LEU H 4.500 . 4.500 3.181 2.785 3.517 . 0 0 "[ . 1 .]" 2
626 2 48 VAL MG2 2 49 LEU H 4.500 . 4.500 4.104 3.601 4.317 . 0 0 "[ . 1 .]" 2
627 2 49 LEU H 2 49 LEU MD2 4.500 . 4.500 2.297 1.842 3.999 . 0 0 "[ . 1 .]" 2
628 2 49 LEU H 2 50 GLY H 4.500 . 4.500 2.759 2.551 3.446 . 0 0 "[ . 1 .]" 2
629 2 40 GLU HA 2 50 GLY H 6.000 . 6.000 5.132 4.517 5.872 . 0 0 "[ . 1 .]" 2
630 2 41 CYS QB 2 50 GLY H 4.500 . 4.500 2.448 1.869 3.678 . 0 0 "[ . 1 .]" 2
631 2 42 ARG HA 2 50 GLY H 6.000 . 6.000 4.265 3.976 4.480 . 0 0 "[ . 1 .]" 2
632 2 48 VAL HA 2 50 GLY H 4.500 . 4.500 3.530 3.292 3.752 . 0 0 "[ . 1 .]" 2
633 2 48 VAL MG1 2 50 GLY H 4.500 . 4.500 2.202 2.072 2.347 . 0 0 "[ . 1 .]" 2
634 2 48 VAL MG2 2 50 GLY H 4.500 . 4.500 4.531 4.464 4.597 0.097 12 0 "[ . 1 .]" 2
635 2 49 LEU HA 2 50 GLY H 4.500 . 4.500 3.513 3.414 3.621 . 0 0 "[ . 1 .]" 2
636 2 49 LEU QB 2 50 GLY H 4.500 . 4.500 2.767 2.577 3.194 . 0 0 "[ . 1 .]" 2
637 2 49 LEU MD1 2 50 GLY H 6.000 . 6.000 4.204 3.947 4.397 . 0 0 "[ . 1 .]" 2
638 2 49 LEU MD2 2 50 GLY H 6.000 . 6.000 3.728 3.346 4.372 . 0 0 "[ . 1 .]" 2
639 2 50 GLY H 2 51 THR H 4.500 . 4.500 4.306 4.150 4.417 . 0 0 "[ . 1 .]" 2
640 2 51 THR HA 2 64 ALA MB 4.500 . 4.500 3.750 2.965 4.555 0.055 14 0 "[ . 1 .]" 2
641 2 48 VAL MG1 2 51 THR H 4.500 . 4.500 4.421 4.096 4.568 0.068 13 0 "[ . 1 .]" 2
642 2 49 LEU QB 2 51 THR H 6.000 . 6.000 5.721 5.337 6.000 . 0 0 "[ . 1 .]" 2
643 2 50 GLY QA 2 51 THR H 3.000 . 3.000 2.195 2.082 2.255 . 0 0 "[ . 1 .]" 2
644 2 51 THR H 2 51 THR HB 3.000 . 3.500 3.438 2.799 3.585 0.085 9 0 "[ . 1 .]" 2
645 2 51 THR H 2 51 THR MG 4.500 . 4.500 3.267 2.175 4.048 . 0 0 "[ . 1 .]" 2
646 2 51 THR H 2 52 GLY H 6.000 . 6.000 4.248 2.762 4.411 . 0 0 "[ . 1 .]" 2
647 2 51 THR H 2 64 ALA MB 6.000 . 6.000 5.006 3.843 5.621 . 0 0 "[ . 1 .]" 2
648 2 51 THR H 2 67 ASN HA 4.500 . 4.500 4.555 4.485 4.681 0.181 14 0 "[ . 1 .]" 2
649 2 51 THR H 2 67 ASN QB 4.500 . 4.500 2.502 2.076 2.838 . 0 0 "[ . 1 .]" 2
650 2 51 THR H 2 67 ASN HD21 6.000 . 6.000 4.234 3.786 4.747 . 0 0 "[ . 1 .]" 2
651 2 51 THR H 2 67 ASN HD22 6.000 . 6.000 3.863 3.270 4.735 . 0 0 "[ . 1 .]" 2
652 2 51 THR H 2 67 ASN H 6.000 . 6.000 5.435 5.151 5.759 . 0 0 "[ . 1 .]" 2
653 2 38 ILE HA 2 52 GLY H 6.000 . 6.000 4.293 3.759 4.900 . 0 0 "[ . 1 .]" 2
654 2 51 THR HA 2 52 GLY H 3.000 . 3.000 2.473 2.163 2.684 . 0 0 "[ . 1 .]" 2
655 2 51 THR HB 2 52 GLY H 4.500 . 4.500 3.393 2.346 4.396 . 0 0 "[ . 1 .]" 2
656 2 51 THR MG 2 52 GLY H 4.500 . 4.500 2.997 1.840 4.007 . 0 0 "[ . 1 .]" 2
657 2 52 GLY H 2 53 VAL HA 6.000 . 6.000 4.765 4.553 5.129 . 0 0 "[ . 1 .]" 2
658 2 52 GLY H 2 53 VAL HB 6.000 . 6.000 5.142 4.562 6.014 0.014 13 0 "[ . 1 .]" 2
659 2 52 GLY H 2 53 VAL H 6.000 . 6.000 4.248 3.797 4.527 . 0 0 "[ . 1 .]" 2
660 2 52 GLY H 2 64 ALA MB 4.500 . 4.500 3.717 3.035 4.170 . 0 0 "[ . 1 .]" 2
661 2 39 VAL HB 2 53 VAL HA 6.000 . 6.000 5.958 5.514 6.056 0.056 8 0 "[ . 1 .]" 2
662 2 39 VAL MG2 2 53 VAL HA 4.500 . 4.500 3.655 3.515 4.010 . 0 0 "[ . 1 .]" 2
663 2 53 VAL HA 2 53 VAL QG 3.000 . 3.000 2.169 2.083 2.294 . 0 0 "[ . 1 .]" 2
664 2 53 VAL HA 2 60 ALA HA 6.000 . 6.000 3.449 2.951 3.900 . 0 0 "[ . 1 .]" 2
665 2 53 VAL HA 2 60 ALA MB 4.500 . 4.500 2.273 1.850 2.725 . 0 0 "[ . 1 .]" 2
666 2 38 ILE HA 2 53 VAL H 6.000 . 6.000 4.356 4.140 4.530 . 0 0 "[ . 1 .]" 2
667 2 39 VAL MG2 2 53 VAL H 4.500 . 4.500 4.450 3.897 4.593 0.093 6 0 "[ . 1 .]" 2
668 2 52 GLY QA 2 53 VAL H 4.500 . 4.500 2.180 2.110 2.266 . 0 0 "[ . 1 .]" 2
669 2 53 VAL H 2 53 VAL HB 3.000 . 3.000 2.968 2.576 3.129 0.129 3 0 "[ . 1 .]" 2
670 2 53 VAL H 2 53 VAL QG 3.000 . 3.000 2.357 1.947 2.916 . 0 0 "[ . 1 .]" 2
671 2 53 VAL H 2 54 GLY QA 4.500 . 4.500 4.533 4.385 4.681 0.181 10 0 "[ . 1 .]" 2
672 2 53 VAL H 2 54 GLY H 6.000 . 6.000 4.442 4.339 4.525 . 0 0 "[ . 1 .]" 2
673 2 53 VAL H 2 60 ALA HA 6.000 . 6.000 3.453 3.035 3.734 . 0 0 "[ . 1 .]" 2
674 2 53 VAL H 2 60 ALA MB 6.000 . 6.000 3.901 3.654 4.321 . 0 0 "[ . 1 .]" 2
675 2 53 VAL H 2 64 ALA MB 6.000 . 6.000 5.787 5.298 6.035 0.035 3 0 "[ . 1 .]" 2
676 2 53 VAL H 2 67 ASN HD22 6.000 . 6.000 5.418 4.974 5.948 . 0 0 "[ . 1 .]" 2
677 2 53 VAL HB 2 54 GLY QA 6.000 . 6.000 5.061 4.208 5.229 . 0 0 "[ . 1 .]" 2
678 2 54 GLY HA3 2 59 ILE HB 6.000 . 6.000 2.262 1.972 2.605 . 0 0 "[ . 1 .]" 2
679 2 54 GLY HA3 2 59 ILE MD 6.000 . 6.000 1.776 1.715 1.870 0.085 13 0 "[ . 1 .]" 2
680 2 54 GLY HA3 2 59 ILE QG 6.000 . 6.000 3.394 3.075 3.746 . 0 0 "[ . 1 .]" 2
681 2 54 GLY HA3 2 59 ILE MG 6.000 . 6.000 3.850 3.468 4.228 . 0 0 "[ . 1 .]" 2
682 2 54 GLY HA2 2 59 ILE HB 6.000 . 6.000 2.918 2.272 3.349 . 0 0 "[ . 1 .]" 2
683 2 54 GLY HA2 2 59 ILE MD 6.000 . 6.000 2.569 2.141 2.839 . 0 0 "[ . 1 .]" 2
684 2 54 GLY HA2 2 59 ILE QG 6.000 . 6.000 3.739 3.365 4.057 . 0 0 "[ . 1 .]" 2
685 2 54 GLY HA2 2 59 ILE MG 6.000 . 6.000 3.933 3.619 4.183 . 0 0 "[ . 1 .]" 2
686 2 37 SER QB 2 54 GLY H 6.000 . 6.000 4.379 3.704 4.773 . 0 0 "[ . 1 .]" 2
687 2 38 ILE HA 2 54 GLY H 6.000 . 6.000 3.718 3.450 4.069 . 0 0 "[ . 1 .]" 2
688 2 39 VAL MG2 2 54 GLY H 4.500 . 6.000 4.805 4.517 5.436 . 0 0 "[ . 1 .]" 2
689 2 39 VAL H 2 54 GLY H 6.000 . 6.000 5.462 4.846 5.825 . 0 0 "[ . 1 .]" 2
690 2 53 VAL HA 2 54 GLY H 4.500 . 4.500 2.327 2.240 2.454 . 0 0 "[ . 1 .]" 2
691 2 53 VAL HB 2 54 GLY H 4.500 . 4.500 4.003 3.832 4.209 . 0 0 "[ . 1 .]" 2
692 2 53 VAL QG 2 54 GLY H 3.000 . 3.000 1.947 1.794 2.096 0.006 14 0 "[ . 1 .]" 2
693 2 54 GLY H 2 55 ARG H 4.500 . 4.500 4.229 3.880 4.398 . 0 0 "[ . 1 .]" 2
694 2 54 GLY H 2 60 ALA HA 6.000 . 6.000 4.152 3.825 4.566 . 0 0 "[ . 1 .]" 2
695 2 54 GLY H 2 60 ALA MB 4.500 2.500 4.500 2.668 2.485 3.306 0.015 9 0 "[ . 1 .]" 2
696 2 54 GLY H 2 60 ALA H 6.000 . 6.000 4.318 3.920 4.823 . 0 0 "[ . 1 .]" 2
697 2 55 ARG HA 2 55 ARG QD 4.500 . 4.500 4.071 3.417 4.503 0.003 8 0 "[ . 1 .]" 2
698 2 55 ARG QD 2 59 ILE MD 4.500 . 4.500 3.818 2.905 4.481 . 0 0 "[ . 1 .]" 2
699 2 55 ARG QD 2 59 ILE MG 6.000 . 6.000 5.083 3.917 6.049 0.049 11 0 "[ . 1 .]" 2
700 2 54 GLY HA2 2 55 ARG H 6.000 . 6.000 2.248 2.129 2.492 . 0 0 "[ . 1 .]" 2
701 2 55 ARG H 2 55 ARG QD 6.000 . 6.000 3.292 1.841 4.265 . 0 0 "[ . 1 .]" 2
702 2 55 ARG H 2 55 ARG QG 4.500 . 4.500 2.047 1.816 3.936 . 0 0 "[ . 1 .]" 2
703 2 55 ARG H 2 56 ASN H 4.500 . 4.500 2.818 2.421 3.202 . 0 0 "[ . 1 .]" 2
704 2 55 ARG H 2 59 ILE MD 4.500 . 4.500 2.045 1.838 2.194 . 0 0 "[ . 1 .]" 2
705 2 55 ARG H 2 59 ILE MG 4.500 . 4.500 4.532 4.475 4.641 0.141 10 0 "[ . 1 .]" 2
706 2 56 ASN QD 2 58 LYS QE 4.500 . 4.500 3.598 1.859 4.543 0.043 1 0 "[ . 1 .]" 2
707 2 56 ASN QD 2 58 LYS QG 4.500 . 4.500 3.948 2.985 4.530 0.030 13 0 "[ . 1 .]" 2
708 2 56 ASN QD 2 59 ILE MD 4.500 . 4.500 2.515 1.893 3.949 . 0 0 "[ . 1 .]" 2
709 2 54 GLY QA 2 56 ASN H 4.500 . 4.500 3.684 3.489 4.010 . 0 0 "[ . 1 .]" 2
710 2 55 ARG HA 2 56 ASN H 4.500 . 4.500 3.556 3.533 3.584 . 0 0 "[ . 1 .]" 2
711 2 55 ARG QB 2 56 ASN H 4.500 . 4.500 2.988 2.376 3.438 . 0 0 "[ . 1 .]" 2
712 2 55 ARG QD 2 56 ASN H 6.000 . 6.000 3.702 2.185 4.774 . 0 0 "[ . 1 .]" 2
713 2 55 ARG QG 2 56 ASN H 3.000 . 3.000 2.137 1.854 3.000 . 2 0 "[ . 1 .]" 2
714 2 56 ASN H 2 57 ILE HA 6.000 . 6.000 4.625 4.499 5.044 . 0 0 "[ . 1 .]" 2
715 2 56 ASN H 2 57 ILE H 6.000 . 6.000 2.653 2.327 3.957 . 0 0 "[ . 1 .]" 2
716 2 56 ASN H 2 58 LYS H 4.500 . 4.500 4.579 4.446 4.878 0.378 10 0 "[ . 1 .]" 2
717 2 56 ASN H 2 59 ILE MD 4.500 . 4.500 1.738 1.671 1.960 0.129 12 0 "[ . 1 .]" 2
718 2 56 ASN H 2 59 ILE QG 4.500 . 4.500 3.230 3.048 3.611 . 0 0 "[ . 1 .]" 2
719 2 56 ASN H 2 59 ILE MG 4.500 . 6.000 5.090 4.935 5.445 . 0 0 "[ . 1 .]" 2
720 2 56 ASN H 2 59 ILE H 6.000 . 6.000 4.226 4.106 4.470 . 0 0 "[ . 1 .]" 2
721 2 57 ILE HA 2 57 ILE MD 4.500 . 4.500 3.370 3.287 3.489 . 0 0 "[ . 1 .]" 2
722 2 57 ILE HA 2 60 ALA MB 4.500 . 4.500 2.128 1.979 2.310 . 0 0 "[ . 1 .]" 2
723 2 56 ASN QB 2 57 ILE H 4.500 . 4.500 3.704 3.029 3.980 . 0 0 "[ . 1 .]" 2
724 2 57 ILE H 2 57 ILE QG 4.500 . 4.500 3.687 3.014 3.818 . 0 0 "[ . 1 .]" 2
725 2 57 ILE H 2 58 LYS QD 6.000 . 6.000 5.425 4.104 5.998 . 0 0 "[ . 1 .]" 2
726 2 57 ILE H 2 58 LYS H 6.000 . 6.000 3.427 2.998 3.679 . 0 0 "[ . 1 .]" 2
727 2 58 LYS HA 2 58 LYS QE 6.000 . 6.000 4.704 3.950 5.281 . 0 0 "[ . 1 .]" 2
728 2 58 LYS QB 2 58 LYS QE 4.500 . 4.500 3.156 2.796 3.526 . 0 0 "[ . 1 .]" 2
729 2 57 ILE MD 2 58 LYS QD 6.000 . 6.000 3.702 1.818 4.985 . 0 0 "[ . 1 .]" 2
730 2 57 ILE MG 2 58 LYS QD 6.000 . 6.000 5.497 4.596 6.099 0.099 4 0 "[ . 1 .]" 2
731 2 58 LYS HA 2 58 LYS QD 4.500 . 4.500 3.051 2.023 3.703 . 0 0 "[ . 1 .]" 2
732 2 56 ASN QB 2 58 LYS H 6.000 . 6.000 3.369 2.610 4.123 . 0 0 "[ . 1 .]" 2
733 2 57 ILE HA 2 58 LYS H 4.500 . 4.500 3.585 3.540 3.611 . 0 0 "[ . 1 .]" 2
734 2 57 ILE MD 2 58 LYS H 4.500 . 4.500 2.758 2.451 2.964 . 0 0 "[ . 1 .]" 2
735 2 57 ILE MG 2 58 LYS H 4.500 . 4.500 3.653 3.553 3.811 . 0 0 "[ . 1 .]" 2
736 2 58 LYS H 2 58 LYS QB 3.000 . 3.000 2.120 2.094 2.158 . 0 0 "[ . 1 .]" 2
737 2 58 LYS H 2 58 LYS HD3 4.500 . 4.500 3.821 2.492 4.611 0.111 5 0 "[ . 1 .]" 2
738 2 58 LYS H 2 58 LYS HD2 4.500 . 4.500 3.828 2.925 4.514 0.014 6 0 "[ . 1 .]" 2
739 2 58 LYS H 2 58 LYS QE 6.000 . 6.000 4.831 4.040 5.515 . 0 0 "[ . 1 .]" 2
740 2 58 LYS H 2 58 LYS QG 3.000 . 4.500 3.956 3.769 4.049 . 0 0 "[ . 1 .]" 2
741 2 58 LYS H 2 59 ILE H 4.500 . 4.500 2.876 2.711 3.013 . 0 0 "[ . 1 .]" 2
742 2 59 ILE HA 2 59 ILE MD 3.000 . 4.500 3.601 3.532 3.758 . 0 0 "[ . 1 .]" 2
743 2 59 ILE HA 2 59 ILE MG 3.000 . 3.000 2.165 2.126 2.207 . 0 0 "[ . 1 .]" 2
744 2 59 ILE HA 2 62 ILE HA 6.000 . 6.000 5.784 5.622 5.955 . 0 0 "[ . 1 .]" 2
745 2 59 ILE HB 2 59 ILE MD 3.000 . 3.000 2.258 2.186 2.308 . 0 0 "[ . 1 .]" 2
746 2 59 ILE HB 2 63 ARG QB 6.000 . 6.000 3.895 3.715 4.145 . 0 0 "[ . 1 .]" 2
747 2 59 ILE QG 2 59 ILE MG 3.000 . 3.000 2.095 2.060 2.113 . 0 0 "[ . 1 .]" 2
748 2 59 ILE MG 2 63 ARG QB 3.000 . 3.000 3.074 2.956 3.116 0.116 12 0 "[ . 1 .]" 2
749 2 59 ILE MG 2 63 ARG QD 4.500 . 4.500 4.104 3.833 4.507 0.007 13 0 "[ . 1 .]" 2
750 2 58 LYS HA 2 59 ILE H 6.000 . 6.000 3.541 3.509 3.571 . 0 0 "[ . 1 .]" 2
751 2 58 LYS QB 2 59 ILE H 4.500 . 4.500 2.647 2.201 3.126 . 0 0 "[ . 1 .]" 2
752 2 58 LYS QD 2 59 ILE H 4.500 . 4.500 2.999 1.795 4.586 0.086 10 0 "[ . 1 .]" 2
753 2 59 ILE H 2 59 ILE HB 3.000 . 4.500 3.232 3.132 3.323 . 0 0 "[ . 1 .]" 2
754 2 59 ILE H 2 59 ILE MD 4.500 . 4.500 1.955 1.904 2.244 . 0 0 "[ . 1 .]" 2
755 2 59 ILE H 2 59 ILE QG 4.500 . 4.500 1.874 1.772 1.914 0.028 10 0 "[ . 1 .]" 2
756 2 59 ILE H 2 59 ILE MG 4.500 . 4.500 3.545 3.459 3.604 . 0 0 "[ . 1 .]" 2
757 2 59 ILE H 2 60 ALA HA 6.000 . 6.000 5.285 5.127 5.352 . 0 0 "[ . 1 .]" 2
758 2 52 GLY QA 2 60 ALA HA 6.000 . 6.000 3.232 2.724 3.973 . 0 0 "[ . 1 .]" 2
759 2 59 ILE HA 2 60 ALA HA 6.000 . 6.000 4.768 4.746 4.804 . 0 0 "[ . 1 .]" 2
760 2 59 ILE MD 2 60 ALA HA 6.000 . 6.000 4.275 4.115 4.406 . 0 0 "[ . 1 .]" 2
761 2 59 ILE MG 2 60 ALA HA 6.000 . 6.000 4.585 4.478 4.691 . 0 0 "[ . 1 .]" 2
762 2 60 ALA HA 2 63 ARG QB 6.000 . 6.000 2.410 2.230 3.784 . 0 0 "[ . 1 .]" 2
763 2 60 ALA HA 2 63 ARG QD 6.000 . 6.000 4.864 2.835 5.135 . 0 0 "[ . 1 .]" 2
764 2 36 ASN HA 2 60 ALA MB 6.000 . 6.000 4.959 4.666 5.162 . 0 0 "[ . 1 .]" 2
765 2 52 GLY QA 2 60 ALA MB 6.000 . 6.000 3.845 3.261 4.563 . 0 0 "[ . 1 .]" 2
766 2 54 GLY QA 2 60 ALA MB 6.000 . 6.000 2.748 2.074 3.210 . 0 0 "[ . 1 .]" 2
767 2 55 ARG HA 2 60 ALA MB 6.000 . 6.000 5.887 5.618 6.027 0.027 1 0 "[ . 1 .]" 2
768 2 59 ILE MD 2 60 ALA MB 3.000 . 3.000 3.101 3.021 3.184 0.184 10 0 "[ . 1 .]" 2
769 2 60 ALA MB 2 63 ARG QB 6.000 . 6.000 3.896 3.757 4.985 . 0 0 "[ . 1 .]" 2
770 2 60 ALA MB 2 63 ARG QG 4.500 . 4.500 4.466 3.570 4.572 0.072 10 0 "[ . 1 .]" 2
771 2 56 ASN QB 2 60 ALA H 6.000 . 6.000 5.864 5.095 6.190 0.190 13 0 "[ . 1 .]" 2
772 2 56 ASN H 2 60 ALA H 6.000 . 6.000 5.207 5.053 5.525 . 0 0 "[ . 1 .]" 2
773 2 57 ILE HB 2 60 ALA H 4.500 . 4.500 4.631 4.556 4.681 0.181 6 0 "[ . 1 .]" 2
774 2 59 ILE HB 2 60 ALA H 4.500 . 4.500 2.849 2.702 3.013 . 0 0 "[ . 1 .]" 2
775 2 59 ILE MD 2 60 ALA H 4.500 . 4.500 2.129 1.954 2.368 . 0 0 "[ . 1 .]" 2
776 2 59 ILE MG 2 60 ALA H 4.500 . 4.500 4.103 4.013 4.199 . 0 0 "[ . 1 .]" 2
777 2 59 ILE H 2 60 ALA H 4.500 . 4.500 2.667 2.469 2.772 . 0 0 "[ . 1 .]" 2
778 2 60 ALA H 2 61 GLY QA 6.000 . 6.000 4.468 4.382 4.551 . 0 0 "[ . 1 .]" 2
779 2 60 ALA H 2 62 ILE HB 6.000 . 6.000 5.581 5.234 5.857 . 0 0 "[ . 1 .]" 2
780 2 60 ALA H 2 62 ILE H 6.000 . 6.000 4.548 4.366 4.744 . 0 0 "[ . 1 .]" 2
781 2 57 ILE MD 2 61 GLY H 3.000 . 3.000 3.088 3.008 3.167 0.167 15 0 "[ . 1 .]" 2
782 2 58 LYS QB 2 61 GLY H 6.000 . 6.000 4.492 4.300 4.595 . 0 0 "[ . 1 .]" 2
783 2 58 LYS QD 2 61 GLY H 4.500 . 4.500 4.553 4.452 4.619 0.119 2 0 "[ . 1 .]" 2
784 2 58 LYS QG 2 61 GLY H 4.500 . 4.500 4.529 4.367 4.625 0.125 6 0 "[ . 1 .]" 2
785 2 60 ALA HA 2 61 GLY H 4.500 . 4.500 3.555 3.515 3.594 . 0 0 "[ . 1 .]" 2
786 2 60 ALA MB 2 61 GLY H 4.500 . 4.500 2.625 2.475 2.862 . 0 0 "[ . 1 .]" 2
787 2 61 GLY H 2 62 ILE HB 6.000 . 6.000 4.966 4.700 5.361 . 0 0 "[ . 1 .]" 2
788 2 61 GLY H 2 62 ILE H 4.500 . 4.500 2.896 2.694 3.035 . 0 0 "[ . 1 .]" 2
789 2 61 GLY H 2 63 ARG H 4.500 . 4.500 3.942 3.728 4.422 . 0 0 "[ . 1 .]" 2
790 2 58 LYS QB 2 62 ILE HB 6.000 . 6.000 5.313 4.531 5.898 . 0 0 "[ . 1 .]" 2
791 2 58 LYS QG 2 62 ILE HB 6.000 . 6.000 4.274 3.410 5.451 . 0 0 "[ . 1 .]" 2
792 2 59 ILE HA 2 62 ILE HB 4.500 . 4.500 3.116 2.808 3.446 . 0 0 "[ . 1 .]" 2
793 2 58 LYS HA 2 62 ILE MD 4.500 . 4.500 3.530 3.036 4.311 . 0 0 "[ . 1 .]" 2
794 2 58 LYS QE 2 62 ILE MD 4.500 . 4.500 4.127 1.851 4.548 0.048 9 0 "[ . 1 .]" 2
795 2 62 ILE HA 2 62 ILE MD 4.500 . 4.500 2.572 1.860 3.888 . 0 0 "[ . 1 .]" 2
796 2 62 ILE MG 2 63 ARG HA 4.500 . 4.500 3.550 3.142 4.143 . 0 0 "[ . 1 .]" 2
797 2 58 LYS QB 2 62 ILE H 4.500 . 4.500 4.572 4.272 4.690 0.190 11 0 "[ . 1 .]" 2
798 2 58 LYS QG 2 62 ILE H 4.500 . 4.500 3.647 3.192 4.241 . 0 0 "[ . 1 .]" 2
799 2 59 ILE HA 2 62 ILE H 4.500 . 4.500 3.876 3.786 3.973 . 0 0 "[ . 1 .]" 2
800 2 60 ALA HA 2 62 ILE H 6.000 . 6.000 5.135 4.927 5.315 . 0 0 "[ . 1 .]" 2
801 2 61 GLY QA 2 62 ILE H 6.000 . 6.000 2.481 2.421 2.552 . 0 0 "[ . 1 .]" 2
802 2 62 ILE H 2 62 ILE MD 4.500 . 4.500 2.044 1.773 3.313 0.027 3 0 "[ . 1 .]" 2
803 2 62 ILE H 2 62 ILE QG 4.500 . 4.500 2.692 1.909 3.258 . 0 0 "[ . 1 .]" 2
804 2 62 ILE H 2 62 ILE MG 4.500 . 4.500 3.746 3.691 3.770 . 0 0 "[ . 1 .]" 2
805 2 62 ILE H 2 63 ARG HA 6.000 . 6.000 5.349 5.258 5.525 . 0 0 "[ . 1 .]" 2
806 2 62 ILE H 2 63 ARG H 4.500 . 4.500 2.769 2.662 3.036 . 0 0 "[ . 1 .]" 2
807 2 62 ILE H 2 65 ALA H 6.000 . 6.000 4.970 4.758 5.038 . 0 0 "[ . 1 .]" 2
808 2 63 ARG HA 2 63 ARG QD 4.500 . 4.500 2.659 2.162 4.483 . 0 0 "[ . 1 .]" 2
809 2 60 ALA HA 2 63 ARG H 6.000 . 6.000 3.806 3.634 4.305 . 0 0 "[ . 1 .]" 2
810 2 62 ILE HA 2 63 ARG H 6.000 . 6.000 3.537 3.499 3.583 . 0 0 "[ . 1 .]" 2
811 2 62 ILE MD 2 63 ARG H 6.000 . 6.000 3.989 3.589 4.361 . 0 0 "[ . 1 .]" 2
812 2 62 ILE MG 2 63 ARG H 6.000 . 6.000 3.428 3.056 3.873 . 0 0 "[ . 1 .]" 2
813 2 63 ARG H 2 63 ARG QB 3.000 . 3.000 2.236 2.188 2.258 . 0 0 "[ . 1 .]" 2
814 2 63 ARG H 2 63 ARG QD 6.000 . 6.000 4.367 4.121 4.921 . 0 0 "[ . 1 .]" 2
815 2 63 ARG H 2 63 ARG QG 4.500 . 4.500 3.910 2.951 4.028 . 0 0 "[ . 1 .]" 2
816 2 63 ARG H 2 64 ALA MB 4.500 . 4.500 4.378 4.272 4.497 . 0 0 "[ . 1 .]" 2
817 2 64 ALA HA 2 67 ASN QB 4.500 . 4.500 2.232 1.822 2.529 . 0 0 "[ . 1 .]" 2
818 2 39 VAL MG1 2 64 ALA H 4.500 . 4.500 4.542 4.354 4.636 0.136 6 0 "[ . 1 .]" 2
819 2 53 VAL H 2 64 ALA H 6.000 . 6.000 5.606 4.957 6.032 0.032 13 0 "[ . 1 .]" 2
820 2 63 ARG HA 2 64 ALA H 4.500 . 4.500 3.565 3.540 3.594 . 0 0 "[ . 1 .]" 2
821 2 63 ARG QB 2 64 ALA H 4.500 . 4.500 2.505 2.326 3.354 . 0 0 "[ . 1 .]" 2
822 2 64 ALA H 2 64 ALA MB 3.000 . 3.000 2.147 2.059 2.253 . 0 0 "[ . 1 .]" 2
823 2 64 ALA H 2 65 ALA H 4.500 . 4.500 2.838 2.700 2.955 . 0 0 "[ . 1 .]" 2
824 2 24 TYR QE 2 65 ALA H 4.500 . 4.500 3.167 2.739 3.695 . 0 0 "[ . 1 .]" 2
825 2 61 GLY QA 2 65 ALA H 6.000 . 6.000 4.328 4.285 4.380 . 0 0 "[ . 1 .]" 2
826 2 62 ILE MG 2 65 ALA H 4.500 . 4.500 4.450 4.209 4.544 0.044 7 0 "[ . 1 .]" 2
827 2 63 ARG QB 2 65 ALA H 6.000 . 6.000 4.750 4.513 5.248 . 0 0 "[ . 1 .]" 2
828 2 64 ALA HA 2 65 ALA H 4.500 . 4.500 3.547 3.526 3.582 . 0 0 "[ . 1 .]" 2
829 2 64 ALA MB 2 65 ALA H 4.500 . 4.500 2.506 2.331 2.723 . 0 0 "[ . 1 .]" 2
830 2 65 ALA H 2 65 ALA MB 3.000 . 3.000 2.187 2.055 2.254 . 0 0 "[ . 1 .]" 2
831 2 65 ALA H 2 66 GLU H 4.500 . 4.500 2.970 2.812 3.182 . 0 0 "[ . 1 .]" 2
832 2 66 GLU HA 2 69 LEU MD1 4.500 . 4.500 2.131 1.793 2.878 0.007 2 0 "[ . 1 .]" 2
833 2 66 GLU HA 2 69 LEU MD2 4.500 . 4.500 1.970 1.772 2.364 0.028 7 0 "[ . 1 .]" 2
834 2 63 ARG HA 2 66 GLU QB 6.000 . 6.000 2.788 2.483 3.319 . 0 0 "[ . 1 .]" 2
835 2 66 GLU QB 2 69 LEU MD1 4.500 . 4.500 3.652 3.007 4.225 . 0 0 "[ . 1 .]" 2
836 2 7 ALA MB 2 66 GLU HG3 4.500 . 4.500 3.259 1.914 4.486 . 0 0 "[ . 1 .]" 2
837 2 63 ARG HA 2 66 GLU HG3 6.000 . 6.000 4.311 2.826 5.561 . 0 0 "[ . 1 .]" 2
838 2 66 GLU HG3 2 69 LEU MD1 4.500 . 4.500 3.989 2.406 4.487 . 0 0 "[ . 1 .]" 2
839 2 7 ALA MB 2 66 GLU HG2 4.500 . 4.500 3.428 2.086 4.504 0.004 3 0 "[ . 1 .]" 2
840 2 63 ARG HA 2 66 GLU HG2 6.000 . 6.000 5.249 3.825 5.942 . 0 0 "[ . 1 .]" 2
841 2 66 GLU HG2 2 69 LEU MD1 4.500 . 4.500 3.244 1.902 3.807 . 0 0 "[ . 1 .]" 2
842 2 7 ALA MB 2 66 GLU H 4.500 . 4.500 2.793 2.423 3.214 . 0 0 "[ . 1 .]" 2
843 2 62 ILE MG 2 66 GLU H 4.500 . 4.500 3.683 3.347 4.138 . 0 0 "[ . 1 .]" 2
844 2 65 ALA HA 2 66 GLU H 4.500 . 4.500 3.570 3.558 3.587 . 0 0 "[ . 1 .]" 2
845 2 65 ALA MB 2 66 GLU H 4.500 . 4.500 2.126 1.975 2.375 . 0 0 "[ . 1 .]" 2
846 2 66 GLU H 2 66 GLU HG3 4.500 . 4.500 3.118 1.977 4.247 . 0 0 "[ . 1 .]" 2
847 2 66 GLU H 2 66 GLU HG2 4.500 . 4.500 3.637 2.245 4.276 . 0 0 "[ . 1 .]" 2
848 2 66 GLU H 2 67 ASN HA 6.000 . 6.000 5.334 5.259 5.407 . 0 0 "[ . 1 .]" 2
849 2 66 GLU H 2 67 ASN QB 6.000 . 6.000 4.493 4.301 4.911 . 0 0 "[ . 1 .]" 2
850 2 66 GLU H 2 67 ASN H 4.500 . 4.500 2.757 2.670 2.840 . 0 0 "[ . 1 .]" 2
851 2 67 ASN HA 2 70 ARG HA 6.000 . 6.000 4.754 4.525 5.190 . 0 0 "[ . 1 .]" 2
852 2 67 ASN HA 2 70 ARG QD 4.500 . 4.500 2.703 2.390 3.527 . 0 0 "[ . 1 .]" 2
853 2 67 ASN HA 2 70 ARG QG 4.500 . 4.500 3.621 1.844 4.063 . 0 0 "[ . 1 .]" 2
854 2 50 GLY QA 2 67 ASN QB 6.000 . 6.000 1.980 1.746 2.466 0.054 14 0 "[ . 1 .]" 2
855 2 63 ARG QD 2 67 ASN QB 4.500 . 4.500 4.395 4.059 4.562 0.062 7 0 "[ . 1 .]" 2
856 2 64 ALA MB 2 67 ASN QB 6.000 . 6.000 3.589 3.225 3.802 . 0 0 "[ . 1 .]" 2
857 2 67 ASN QB 2 68 ALA HA 4.500 . 4.500 3.835 3.784 3.931 . 0 0 "[ . 1 .]" 2
858 2 67 ASN QB 2 70 ARG QG 6.000 . 6.000 5.192 3.148 5.772 . 0 0 "[ . 1 .]" 2
859 2 50 GLY QA 2 67 ASN HD21 6.000 . 6.000 4.907 4.602 5.261 . 0 0 "[ . 1 .]" 2
860 2 63 ARG HA 2 67 ASN HD21 6.000 . 6.000 3.896 3.156 5.151 . 0 0 "[ . 1 .]" 2
861 2 67 ASN QB 2 67 ASN HD21 3.000 . 4.500 2.380 2.183 2.791 . 0 0 "[ . 1 .]" 2
862 2 67 ASN H 2 67 ASN HD21 4.500 . 4.500 2.804 2.531 3.012 . 0 0 "[ . 1 .]" 2
863 2 52 GLY QA 2 67 ASN HD22 4.500 . 4.500 3.557 3.029 3.891 . 0 0 "[ . 1 .]" 2
864 2 63 ARG QB 2 67 ASN HD22 6.000 . 6.000 4.659 4.245 5.285 . 0 0 "[ . 1 .]" 2
865 2 67 ASN H 2 67 ASN HD22 4.500 . 4.500 4.353 3.569 4.574 0.074 14 0 "[ . 1 .]" 2
866 2 63 ARG HA 2 67 ASN H 6.000 . 6.000 4.227 3.961 4.402 . 0 0 "[ . 1 .]" 2
867 2 64 ALA HA 2 67 ASN H 6.000 . 6.000 3.512 3.298 3.690 . 0 0 "[ . 1 .]" 2
868 2 65 ALA HA 2 67 ASN H 6.000 . 6.000 3.934 3.686 4.415 . 0 0 "[ . 1 .]" 2
869 2 66 GLU HA 2 67 ASN H 4.500 . 4.500 3.462 3.411 3.533 . 0 0 "[ . 1 .]" 2
870 2 66 GLU HB3 2 67 ASN H 6.000 . 6.000 3.510 3.108 3.925 . 0 0 "[ . 1 .]" 2
871 2 66 GLU HB2 2 67 ASN H 6.000 . 6.000 3.169 2.666 3.826 . 0 0 "[ . 1 .]" 2
872 2 66 GLU HG3 2 67 ASN H 6.000 . 6.000 4.932 4.229 5.577 . 0 0 "[ . 1 .]" 2
873 2 66 GLU HG2 2 67 ASN H 6.000 . 6.000 4.983 4.471 5.330 . 0 0 "[ . 1 .]" 2
874 2 67 ASN H 2 67 ASN HA 3.000 . 3.000 2.839 2.757 2.886 . 0 0 "[ . 1 .]" 2
875 2 67 ASN H 2 67 ASN QB 3.000 . 3.000 2.117 1.975 2.524 . 0 0 "[ . 1 .]" 2
876 2 67 ASN H 2 68 ALA MB 6.000 . 6.000 4.221 3.966 4.559 . 0 0 "[ . 1 .]" 2
877 2 67 ASN H 2 69 LEU MD1 6.000 . 6.000 4.546 3.588 5.635 . 0 0 "[ . 1 .]" 2
878 2 11 LEU MD1 2 68 ALA MB 4.500 . 4.500 2.706 1.775 3.268 0.025 3 0 "[ . 1 .]" 2
879 2 11 LEU MD2 2 68 ALA MB 3.000 . 3.000 1.994 1.761 2.258 0.039 6 0 "[ . 1 .]" 2
880 2 49 LEU MD2 2 68 ALA MB 4.500 . 4.500 3.010 2.530 3.686 . 0 0 "[ . 1 .]" 2
881 2 68 ALA MB 2 74 MET ME 3.000 . 3.000 3.034 2.999 3.109 0.109 14 0 "[ . 1 .]" 2
882 2 10 GLN QB 2 68 ALA H 6.000 . 6.000 6.137 6.067 6.187 0.187 13 0 "[ . 1 .]" 2
883 2 64 ALA MB 2 68 ALA H 6.000 . 6.000 4.776 4.686 4.821 . 0 0 "[ . 1 .]" 2
884 2 66 GLU HA 2 68 ALA H 6.000 . 6.000 4.217 3.953 4.415 . 0 0 "[ . 1 .]" 2
885 2 67 ASN HA 2 68 ALA H 4.500 . 4.500 3.527 3.502 3.549 . 0 0 "[ . 1 .]" 2
886 2 67 ASN QB 2 68 ALA H 4.500 . 4.500 2.802 2.730 2.946 . 0 0 "[ . 1 .]" 2
887 2 68 ALA H 2 68 ALA HA 3.000 . 3.000 2.830 2.808 2.896 . 0 0 "[ . 1 .]" 2
888 2 68 ALA H 2 68 ALA MB 3.000 . 3.000 2.174 2.058 2.300 . 0 0 "[ . 1 .]" 2
889 2 68 ALA H 2 69 LEU HA 4.500 . 6.000 5.224 5.024 5.310 . 0 0 "[ . 1 .]" 2
890 2 68 ALA H 2 69 LEU QB 6.000 . 6.000 5.053 4.619 5.215 . 0 0 "[ . 1 .]" 2
891 2 68 ALA H 2 69 LEU MD1 6.000 . 6.000 4.330 3.120 5.549 . 0 0 "[ . 1 .]" 2
892 2 68 ALA H 2 69 LEU MD2 4.500 . 4.500 3.765 3.454 4.281 . 0 0 "[ . 1 .]" 2
893 2 68 ALA H 2 69 LEU H 6.000 . 6.000 2.600 2.327 2.695 . 0 0 "[ . 1 .]" 2
894 2 68 ALA H 2 70 ARG H 6.000 . 6.000 3.793 3.591 3.949 . 0 0 "[ . 1 .]" 2
895 2 68 ALA H 2 71 ASP H 6.000 . 6.000 5.974 5.846 6.038 0.038 9 0 "[ . 1 .]" 2
896 2 69 LEU HA 2 69 LEU MD1 4.500 . 4.500 3.767 3.404 4.116 . 0 0 "[ . 1 .]" 2
897 2 69 LEU HA 2 69 LEU MD2 4.500 . 4.500 3.507 3.299 3.914 . 0 0 "[ . 1 .]" 2
898 2 69 LEU HA 2 69 LEU HG 4.500 . 4.500 3.920 3.593 4.274 . 0 0 "[ . 1 .]" 2
899 2 69 LEU QB 2 69 LEU MD1 3.000 . 3.000 2.042 1.871 2.168 . 0 0 "[ . 1 .]" 2
900 2 66 GLU HA 2 69 LEU H 4.500 . 4.500 3.468 3.092 3.756 . 0 0 "[ . 1 .]" 2
901 2 67 ASN HA 2 69 LEU H 6.000 . 6.000 4.427 4.103 4.666 . 0 0 "[ . 1 .]" 2
902 2 68 ALA HA 2 69 LEU H 6.000 . 6.000 3.525 3.411 3.570 . 0 0 "[ . 1 .]" 2
903 2 68 ALA MB 2 69 LEU H 3.000 . 3.000 2.613 2.442 3.001 0.001 14 0 "[ . 1 .]" 2
904 2 69 LEU H 2 69 LEU HA 3.000 . 3.000 2.914 2.895 2.955 . 0 0 "[ . 1 .]" 2
905 2 69 LEU H 2 69 LEU QB 3.000 . 3.000 2.801 2.314 2.931 . 0 0 "[ . 1 .]" 2
906 2 69 LEU H 2 69 LEU MD1 3.000 . 4.500 2.791 1.771 3.952 0.029 11 0 "[ . 1 .]" 2
907 2 69 LEU H 2 69 LEU MD2 3.000 . 4.500 2.259 1.879 2.665 . 0 0 "[ . 1 .]" 2
908 2 69 LEU H 2 70 ARG H 4.500 . 4.500 2.562 2.357 2.750 . 0 0 "[ . 1 .]" 2
909 2 69 LEU H 2 71 ASP H 4.500 . 4.500 4.513 4.300 4.587 0.087 15 0 "[ . 1 .]" 2
910 2 70 ARG HA 2 70 ARG QD 4.500 . 4.500 3.892 3.266 4.227 . 0 0 "[ . 1 .]" 2
911 2 67 ASN QB 2 70 ARG QD 4.500 . 4.500 4.242 3.705 4.509 0.009 1 0 "[ . 1 .]" 2
912 2 67 ASN HA 2 70 ARG H 4.500 . 4.500 3.499 3.236 3.782 . 0 0 "[ . 1 .]" 2
913 2 69 LEU HA 2 70 ARG H 6.000 . 6.000 3.109 2.909 3.262 . 0 0 "[ . 1 .]" 2
914 2 69 LEU QB 2 70 ARG H 6.000 . 6.000 3.935 3.817 4.012 . 0 0 "[ . 1 .]" 2
915 2 69 LEU MD1 2 70 ARG H 4.500 . 4.500 4.153 3.580 4.705 0.205 9 0 "[ . 1 .]" 2
916 2 69 LEU MD2 2 70 ARG H 4.500 . 4.500 3.449 2.356 4.479 . 0 0 "[ . 1 .]" 2
917 2 70 ARG H 2 70 ARG HA 3.000 . 3.000 2.912 2.877 2.948 . 0 0 "[ . 1 .]" 2
918 2 70 ARG H 2 70 ARG QB 3.000 . 3.000 2.267 2.164 2.410 . 0 0 "[ . 1 .]" 2
919 2 70 ARG H 2 70 ARG QD 4.500 . 4.500 4.382 3.941 4.553 0.053 10 0 "[ . 1 .]" 2
920 2 70 ARG H 2 70 ARG QG 4.500 . 4.500 3.790 2.652 4.073 . 0 0 "[ . 1 .]" 2
921 2 70 ARG H 2 71 ASP HA 6.000 . 6.000 4.964 4.705 5.157 . 0 0 "[ . 1 .]" 2
922 2 70 ARG H 2 71 ASP QB 6.000 . 6.000 4.229 3.886 4.510 . 0 0 "[ . 1 .]" 2
923 2 70 ARG H 2 71 ASP H 3.000 . 3.000 2.458 2.183 2.687 . 0 0 "[ . 1 .]" 2
924 2 70 ARG HA 2 71 ASP HA 6.000 . 6.000 4.503 4.446 4.600 . 0 0 "[ . 1 .]" 2
925 2 71 ASP HA 2 74 MET QB 4.500 . 4.500 4.095 3.864 4.530 0.030 10 0 "[ . 1 .]" 2
926 2 71 ASP HB3 2 74 MET ME 4.500 . 4.500 3.846 3.101 4.545 0.045 8 0 "[ . 1 .]" 2
927 2 71 ASP HB2 2 74 MET ME 4.500 . 4.500 2.823 1.892 4.475 . 0 0 "[ . 1 .]" 2
928 2 69 LEU HA 2 71 ASP H 6.000 . 6.000 3.178 3.051 3.365 . 0 0 "[ . 1 .]" 2
929 2 70 ARG HA 2 71 ASP H 4.500 . 4.500 3.211 3.083 3.344 . 0 0 "[ . 1 .]" 2
930 2 70 ARG QD 2 71 ASP H 6.000 . 6.000 5.378 3.935 5.713 . 0 0 "[ . 1 .]" 2
931 2 70 ARG QG 2 71 ASP H 4.500 . 4.500 4.272 3.234 4.625 0.125 13 0 "[ . 1 .]" 2
932 2 71 ASP H 2 71 ASP QB 3.000 . 3.000 2.524 2.346 2.777 . 0 0 "[ . 1 .]" 2
933 2 71 ASP H 2 72 LYS H 4.500 . 4.500 3.720 3.494 4.084 . 0 0 "[ . 1 .]" 2
934 2 71 ASP H 2 73 LYS H 6.000 . 6.000 5.638 5.221 5.963 . 0 0 "[ . 1 .]" 2
935 2 71 ASP H 2 74 MET QB 4.500 . 4.500 4.153 3.759 4.389 . 0 0 "[ . 1 .]" 2
936 2 71 ASP H 2 75 LEU QB 6.000 . 6.000 4.671 4.487 4.873 . 0 0 "[ . 1 .]" 2
937 2 71 ASP H 2 75 LEU MD1 4.500 . 4.500 2.836 2.410 3.698 . 0 0 "[ . 1 .]" 2
938 2 71 ASP H 2 75 LEU MD2 4.500 . 4.500 3.925 3.562 4.077 . 0 0 "[ . 1 .]" 2
939 2 71 ASP H 2 75 LEU HG 3.000 . 3.000 3.024 2.959 3.053 0.053 11 0 "[ . 1 .]" 2
940 2 72 LYS HA 2 72 LYS QE 6.000 . 6.000 4.526 4.013 5.569 . 0 0 "[ . 1 .]" 2
941 2 72 LYS HA 2 72 LYS QD 4.500 . 4.500 4.394 3.853 4.579 0.079 5 0 "[ . 1 .]" 2
942 2 72 LYS QG 2 73 LYS HA 4.500 . 4.500 2.883 2.726 3.091 . 0 0 "[ . 1 .]" 2
943 2 70 ARG H 2 72 LYS H 6.000 . 6.000 5.868 5.565 6.053 0.053 8 0 "[ . 1 .]" 2
944 2 71 ASP HA 2 72 LYS H 3.000 . 3.000 2.308 2.198 2.414 . 0 0 "[ . 1 .]" 2
945 2 71 ASP HB3 2 72 LYS H 4.500 . 4.500 4.136 3.913 4.308 . 0 0 "[ . 1 .]" 2
946 2 71 ASP HB2 2 72 LYS H 4.500 . 4.500 4.504 4.355 4.591 0.091 11 0 "[ . 1 .]" 2
947 2 72 LYS H 2 72 LYS QB 3.000 . 3.000 2.180 2.109 2.350 . 0 0 "[ . 1 .]" 2
948 2 72 LYS H 2 72 LYS QD 4.500 . 4.500 3.960 2.207 4.521 0.021 1 0 "[ . 1 .]" 2
949 2 72 LYS H 2 72 LYS QG 3.000 . 3.000 2.905 2.726 3.029 0.029 12 0 "[ . 1 .]" 2
950 2 72 LYS H 2 73 LYS HA 6.000 . 6.000 5.450 5.287 5.543 . 0 0 "[ . 1 .]" 2
951 2 72 LYS H 2 73 LYS H 3.000 . 3.000 2.897 2.693 3.012 0.012 15 0 "[ . 1 .]" 2
952 2 72 LYS H 2 74 MET H 6.000 . 6.000 4.388 4.191 4.678 . 0 0 "[ . 1 .]" 2
953 2 72 LYS H 2 75 LEU MD1 6.000 . 6.000 3.921 3.430 4.489 . 0 0 "[ . 1 .]" 2
954 2 72 LYS H 2 75 LEU MD2 6.000 . 6.000 5.861 5.379 6.064 0.064 2 0 "[ . 1 .]" 2
955 2 73 LYS HA 2 73 LYS QE 4.500 . 4.500 3.566 1.941 4.458 . 0 0 "[ . 1 .]" 2
956 2 73 LYS HA 2 76 ASP HB3 4.500 . 4.500 3.134 2.688 3.510 . 0 0 "[ . 1 .]" 2
957 2 73 LYS HA 2 76 ASP HB2 4.500 . 4.500 4.205 3.694 4.570 0.070 12 0 "[ . 1 .]" 2
958 2 73 LYS HA 2 73 LYS QD 4.500 . 4.500 3.438 2.491 4.186 . 0 0 "[ . 1 .]" 2
959 2 72 LYS QD 2 73 LYS QG 3.000 . 3.000 2.999 2.634 3.047 0.047 14 0 "[ . 1 .]" 2
960 2 71 ASP HA 2 73 LYS H 4.500 . 4.500 3.669 3.267 3.926 . 0 0 "[ . 1 .]" 2
961 2 72 LYS HA 2 73 LYS H 4.500 . 4.500 3.541 3.485 3.568 . 0 0 "[ . 1 .]" 2
962 2 72 LYS QD 2 73 LYS H 4.500 . 4.500 3.681 2.703 3.832 . 0 0 "[ . 1 .]" 2
963 2 73 LYS H 2 73 LYS HA 3.000 . 3.000 2.802 2.772 2.845 . 0 0 "[ . 1 .]" 2
964 2 73 LYS H 2 73 LYS QB 3.000 . 3.000 2.570 2.391 2.854 . 0 0 "[ . 1 .]" 2
965 2 73 LYS H 2 73 LYS QD 4.500 . 4.500 3.877 3.398 4.334 . 0 0 "[ . 1 .]" 2
966 2 73 LYS H 2 73 LYS QG 4.500 . 4.500 2.054 1.804 2.373 . 0 0 "[ . 1 .]" 2
967 2 73 LYS H 2 74 MET H 4.500 . 4.500 2.752 2.555 2.853 . 0 0 "[ . 1 .]" 2
968 2 74 MET HA 2 74 MET HG3 4.500 . 4.500 3.318 2.930 3.672 . 0 0 "[ . 1 .]" 2
969 2 74 MET HA 2 74 MET HG2 4.500 . 4.500 2.668 2.276 2.931 . 0 0 "[ . 1 .]" 2
970 2 74 MET HA 2 77 PHE QB 4.500 . 4.500 2.158 1.928 2.445 . 0 0 "[ . 1 .]" 2
971 2 74 MET HA 2 77 PHE QD 6.000 . 6.000 2.720 2.188 4.012 . 0 0 "[ . 1 .]" 2
972 2 71 ASP HA 2 74 MET ME 6.000 . 6.000 5.154 4.341 5.965 . 0 0 "[ . 1 .]" 2
973 2 74 MET HA 2 74 MET ME 4.500 . 4.500 4.412 4.221 4.560 0.060 7 0 "[ . 1 .]" 2
974 2 74 MET ME 2 75 LEU MD1 4.500 . 4.500 3.732 3.376 4.055 . 0 0 "[ . 1 .]" 2
975 2 74 MET ME 2 75 LEU MD2 4.500 . 4.500 2.085 1.757 2.575 0.043 14 0 "[ . 1 .]" 2
976 2 74 MET ME 2 75 LEU HG 4.500 . 4.500 2.590 2.248 3.645 . 0 0 "[ . 1 .]" 2
977 2 74 MET ME 2 77 PHE QD 6.000 . 6.000 4.844 4.152 5.375 . 0 0 "[ . 1 .]" 2
978 2 74 MET ME 2 77 PHE QE 6.000 . 6.000 5.802 4.964 6.026 0.026 15 0 "[ . 1 .]" 2
979 2 74 MET ME 2 78 TYR QD 6.000 . 6.000 3.157 2.118 4.343 . 0 0 "[ . 1 .]" 2
980 2 74 MET ME 2 78 TYR QE 4.500 . 4.500 2.989 1.844 4.254 . 0 0 "[ . 1 .]" 2
981 2 71 ASP HB3 2 74 MET QG 6.000 . 6.000 4.022 3.601 4.801 . 0 0 "[ . 1 .]" 2
982 2 71 ASP HB2 2 74 MET QG 6.000 . 6.000 3.855 3.498 5.164 . 0 0 "[ . 1 .]" 2
983 2 74 MET QG 2 75 LEU MD2 6.000 . 6.000 4.224 3.395 5.010 . 0 0 "[ . 1 .]" 2
984 2 74 MET QG 2 78 TYR QE 4.500 . 4.500 1.934 1.792 2.188 0.008 8 0 "[ . 1 .]" 2
985 2 71 ASP HA 2 74 MET H 6.000 . 6.000 3.971 3.712 4.275 . 0 0 "[ . 1 .]" 2
986 2 71 ASP H 2 74 MET H 6.000 . 6.000 5.169 4.915 5.374 . 0 0 "[ . 1 .]" 2
987 2 72 LYS QG 2 74 MET H 6.000 . 6.000 4.290 4.101 4.637 . 0 0 "[ . 1 .]" 2
988 2 73 LYS HA 2 74 MET H 4.500 . 4.500 3.552 3.528 3.571 . 0 0 "[ . 1 .]" 2
989 2 73 LYS QB 2 74 MET H 3.000 . 3.000 2.444 2.148 2.658 . 0 0 "[ . 1 .]" 2
990 2 73 LYS QG 2 74 MET H 6.000 . 6.000 3.808 3.275 4.072 . 0 0 "[ . 1 .]" 2
991 2 74 MET H 2 74 MET QB 3.000 . 3.000 2.229 2.162 2.284 . 0 0 "[ . 1 .]" 2
992 2 74 MET H 2 77 PHE H 6.000 . 6.000 4.505 4.388 4.640 . 0 0 "[ . 1 .]" 2
993 2 72 LYS HA 2 75 LEU HB3 4.500 . 4.500 4.050 3.792 4.349 . 0 0 "[ . 1 .]" 2
994 2 72 LYS HA 2 75 LEU HB2 4.500 . 4.500 2.497 2.261 2.760 . 0 0 "[ . 1 .]" 2
995 2 72 LYS HA 2 75 LEU H 4.500 . 4.500 3.651 3.288 3.968 . 0 0 "[ . 1 .]" 2
996 2 74 MET HA 2 75 LEU H 4.500 . 4.500 3.545 3.504 3.564 . 0 0 "[ . 1 .]" 2
997 2 74 MET HB3 2 75 LEU H 4.500 . 4.500 2.473 2.013 2.798 . 0 0 "[ . 1 .]" 2
998 2 74 MET HB2 2 75 LEU H 4.500 . 4.500 3.837 3.496 4.072 . 0 0 "[ . 1 .]" 2
999 2 74 MET HG3 2 75 LEU H 6.000 . 6.000 4.692 4.419 4.951 . 0 0 "[ . 1 .]" 2
1000 2 74 MET HG2 2 75 LEU H 6.000 . 6.000 3.880 3.323 4.532 . 0 0 "[ . 1 .]" 2
1001 2 74 MET H 2 75 LEU H 4.500 . 4.500 2.665 2.477 2.874 . 0 0 "[ . 1 .]" 2
1002 2 75 LEU H 2 75 LEU QB 3.000 . 3.000 2.388 2.273 2.592 . 0 0 "[ . 1 .]" 2
1003 2 75 LEU H 2 75 LEU MD1 4.500 . 4.500 3.636 3.434 4.008 . 0 0 "[ . 1 .]" 2
1004 2 75 LEU H 2 75 LEU MD2 4.500 . 4.500 3.424 3.047 3.764 . 0 0 "[ . 1 .]" 2
1005 2 75 LEU H 2 75 LEU HG 3.000 . 3.000 2.378 2.014 2.663 . 0 0 "[ . 1 .]" 2
1006 2 75 LEU H 2 77 PHE H 6.000 . 6.000 3.844 3.514 4.205 . 0 0 "[ . 1 .]" 2
1007 2 72 LYS QB 2 76 ASP HB3 6.000 . 6.000 5.124 4.693 5.483 . 0 0 "[ . 1 .]" 2
1008 2 72 LYS QG 2 76 ASP HB3 4.500 . 4.500 4.450 4.243 4.565 0.065 12 0 "[ . 1 .]" 2
1009 2 72 LYS QB 2 76 ASP HB2 6.000 . 6.000 4.367 3.980 4.775 . 0 0 "[ . 1 .]" 2
1010 2 72 LYS QG 2 76 ASP HB2 4.500 . 4.500 4.415 4.096 4.525 0.025 1 0 "[ . 1 .]" 2
1011 2 72 LYS HA 2 76 ASP H 4.500 . 4.500 3.471 3.284 3.686 . 0 0 "[ . 1 .]" 2
1012 2 74 MET H 2 76 ASP H 4.500 . 4.500 4.481 4.364 4.566 0.066 11 0 "[ . 1 .]" 2
1013 2 75 LEU HA 2 76 ASP H 4.500 . 4.500 3.555 3.530 3.568 . 0 0 "[ . 1 .]" 2
1014 2 75 LEU HB3 2 76 ASP H 3.000 . 3.000 3.024 2.885 3.105 0.105 15 0 "[ . 1 .]" 2
1015 2 75 LEU HB2 2 76 ASP H 3.000 . 3.000 2.144 1.968 2.335 . 0 0 "[ . 1 .]" 2
1016 2 75 LEU MD1 2 76 ASP H 4.500 . 4.500 4.045 3.762 4.314 . 0 0 "[ . 1 .]" 2
1017 2 75 LEU MD2 2 76 ASP H 4.500 . 4.500 4.469 4.368 4.527 0.027 15 0 "[ . 1 .]" 2
1018 2 76 ASP H 2 76 ASP HB3 3.000 . 3.000 2.656 2.509 2.785 . 0 0 "[ . 1 .]" 2
1019 2 76 ASP H 2 76 ASP HB2 3.000 . 3.000 2.424 2.305 2.586 . 0 0 "[ . 1 .]" 2
1020 2 76 ASP H 2 77 PHE QB 6.000 . 6.000 4.388 4.243 4.590 . 0 0 "[ . 1 .]" 2
1021 2 76 ASP H 2 77 PHE QD 6.000 . 6.000 5.990 5.888 6.065 0.065 12 0 "[ . 1 .]" 2
1022 2 76 ASP H 2 77 PHE H 4.500 . 4.500 2.707 2.533 2.889 . 0 0 "[ . 1 .]" 2
1023 2 77 PHE HA 2 80 LYS QB 6.000 . 6.000 3.387 2.850 4.412 . 0 0 "[ . 1 .]" 2
1024 2 77 PHE HA 2 80 LYS QG 6.000 . 6.000 4.279 2.279 5.339 . 0 0 "[ . 1 .]" 2
1025 2 77 PHE QD 2 78 TYR QD 6.000 . 6.000 3.100 2.076 3.847 . 0 0 "[ . 1 .]" 2
1026 2 77 PHE QD 2 78 TYR QE 6.000 . 6.000 3.126 2.136 3.648 . 0 0 "[ . 1 .]" 2
1027 2 77 PHE QD 2 80 LYS QD 6.000 . 6.000 4.643 2.851 6.028 0.028 15 0 "[ . 1 .]" 2
1028 2 77 PHE QD 2 81 GLN HB3 6.000 . 6.000 4.924 3.359 5.999 . 0 0 "[ . 1 .]" 2
1029 2 77 PHE QD 2 81 GLN HB2 6.000 . 6.000 4.766 4.147 5.427 . 0 0 "[ . 1 .]" 2
1030 2 77 PHE QE 2 78 TYR QD 6.000 . 6.000 3.618 2.921 4.000 . 0 0 "[ . 1 .]" 2
1031 2 77 PHE QE 2 78 TYR QE 6.000 . 6.000 2.656 1.864 3.154 . 0 0 "[ . 1 .]" 2
1032 2 77 PHE QE 2 81 GLN QB 6.000 . 6.000 3.850 2.739 4.373 . 0 0 "[ . 1 .]" 2
1033 2 74 MET HA 2 77 PHE H 6.000 . 6.000 3.522 3.396 3.659 . 0 0 "[ . 1 .]" 2
1034 2 75 LEU QB 2 77 PHE H 6.000 . 6.000 4.199 4.048 4.323 . 0 0 "[ . 1 .]" 2
1035 2 75 LEU MD1 2 77 PHE H 6.000 . 6.000 6.045 6.004 6.081 0.081 5 0 "[ . 1 .]" 2
1036 2 76 ASP HA 2 77 PHE H 6.000 . 6.000 3.491 3.448 3.542 . 0 0 "[ . 1 .]" 2
1037 2 76 ASP HB3 2 77 PHE H 4.500 . 4.500 2.804 2.520 3.031 . 0 0 "[ . 1 .]" 2
1038 2 76 ASP HB2 2 77 PHE H 4.500 . 4.500 3.917 3.754 4.028 . 0 0 "[ . 1 .]" 2
1039 2 77 PHE H 2 77 PHE HA 3.000 . 3.000 2.808 2.767 2.852 . 0 0 "[ . 1 .]" 2
1040 2 77 PHE H 2 77 PHE QB 3.000 . 3.000 2.123 2.057 2.169 . 0 0 "[ . 1 .]" 2
1041 2 77 PHE H 2 77 PHE QD 4.500 . 4.500 3.972 3.857 4.072 . 0 0 "[ . 1 .]" 2
1042 2 77 PHE H 2 78 TYR QD 6.000 . 6.000 4.589 4.201 4.976 . 0 0 "[ . 1 .]" 2
1043 2 77 PHE H 2 78 TYR QE 6.000 . 6.000 6.061 6.036 6.097 0.097 15 0 "[ . 1 .]" 2
1044 2 77 PHE H 2 79 ALA MB 6.000 . 6.000 4.555 4.378 4.896 . 0 0 "[ . 1 .]" 2
1045 2 77 PHE HZ 2 78 TYR QD 6.000 . 6.000 4.750 3.653 5.246 . 0 0 "[ . 1 .]" 2
1046 2 77 PHE HZ 2 78 TYR QE 6.000 . 6.000 3.952 2.311 4.662 . 0 0 "[ . 1 .]" 2
1047 2 15 ILE MD 2 78 TYR QD 6.000 . 6.000 3.473 2.972 3.997 . 0 0 "[ . 1 .]" 2
1048 2 20 LEU MD1 2 78 TYR QD 6.000 . 6.000 3.375 2.259 4.862 . 0 0 "[ . 1 .]" 2
1049 2 20 LEU MD2 2 78 TYR QD 4.500 . 4.500 3.657 2.313 4.539 0.039 14 0 "[ . 1 .]" 2
1050 2 49 LEU MD1 2 78 TYR QD 6.000 . 6.000 4.392 3.730 5.267 . 0 0 "[ . 1 .]" 2
1051 2 49 LEU MD2 2 78 TYR QD 6.000 . 6.000 5.513 4.146 5.973 . 0 0 "[ . 1 .]" 2
1052 2 74 MET HG3 2 78 TYR QD 4.500 . 4.500 4.144 3.623 4.519 0.019 12 0 "[ . 1 .]" 2
1053 2 74 MET HG2 2 78 TYR QD 4.500 . 4.500 2.713 2.131 3.184 . 0 0 "[ . 1 .]" 2
1054 2 78 TYR HA 2 78 TYR QD 4.500 . 4.500 2.486 1.884 2.842 . 0 0 "[ . 1 .]" 2
1055 2 78 TYR QD 2 81 GLN QB 4.500 . 4.500 3.202 2.745 3.762 . 0 0 "[ . 1 .]" 2
1056 2 15 ILE MD 2 78 TYR QE 6.000 . 6.000 5.216 4.821 5.685 . 0 0 "[ . 1 .]" 2
1057 2 20 LEU MD1 2 78 TYR QE 4.500 . 4.500 3.666 2.399 4.508 0.008 5 0 "[ . 1 .]" 2
1058 2 20 LEU MD2 2 78 TYR QE 4.500 . 4.500 3.203 2.080 4.455 . 0 0 "[ . 1 .]" 2
1059 2 43 VAL HB 2 78 TYR QE 6.000 . 6.000 4.743 3.748 5.488 . 0 0 "[ . 1 .]" 2
1060 2 49 LEU MD1 2 78 TYR QE 4.500 . 4.500 2.701 2.194 3.962 . 0 0 "[ . 1 .]" 2
1061 2 49 LEU MD2 2 78 TYR QE 4.500 . 4.500 4.262 2.654 4.541 0.041 5 0 "[ . 1 .]" 2
1062 2 74 MET HA 2 78 TYR QE 6.000 . 6.000 4.287 3.803 4.683 . 0 0 "[ . 1 .]" 2
1063 2 74 MET HG3 2 78 TYR QE 4.500 . 4.500 2.678 2.117 3.339 . 0 0 "[ . 1 .]" 2
1064 2 74 MET HG2 2 78 TYR QE 4.500 . 4.500 2.001 1.846 2.225 . 0 0 "[ . 1 .]" 2
1065 2 78 TYR HA 2 78 TYR QE 4.500 . 4.500 4.349 4.122 4.430 . 0 0 "[ . 1 .]" 2
1066 2 78 TYR QE 2 81 GLN QB 4.500 . 4.500 4.590 4.555 4.651 0.151 11 0 "[ . 1 .]" 2
1067 2 15 ILE MG 2 78 TYR H 4.500 . 4.500 4.100 3.701 4.418 . 0 0 "[ . 1 .]" 2
1068 2 74 MET HA 2 78 TYR H 4.500 . 4.500 4.347 4.080 4.502 0.002 5 0 "[ . 1 .]" 2
1069 2 77 PHE QB 2 78 TYR H 4.500 . 4.500 2.819 2.598 3.033 . 0 0 "[ . 1 .]" 2
1070 2 77 PHE QD 2 78 TYR H 4.500 . 4.500 3.293 2.314 3.698 . 0 0 "[ . 1 .]" 2
1071 2 77 PHE H 2 78 TYR H 4.500 . 4.500 2.648 2.505 2.756 . 0 0 "[ . 1 .]" 2
1072 2 78 TYR H 2 78 TYR HA 3.000 . 3.000 2.860 2.821 2.886 . 0 0 "[ . 1 .]" 2
1073 2 78 TYR H 2 78 TYR QD 4.500 . 4.500 2.872 2.437 3.304 . 0 0 "[ . 1 .]" 2
1074 2 78 TYR H 2 78 TYR QE 6.000 . 6.000 4.714 4.607 4.797 . 0 0 "[ . 1 .]" 2
1075 2 78 TYR H 2 79 ALA MB 6.000 . 6.000 4.129 3.968 4.209 . 0 0 "[ . 1 .]" 2
1076 2 78 TYR H 2 79 ALA H 4.500 . 4.500 2.489 2.337 2.697 . 0 0 "[ . 1 .]" 2
1077 2 78 TYR H 2 81 GLN QB 6.000 . 6.000 4.490 4.171 4.831 . 0 0 "[ . 1 .]" 2
1078 2 78 TYR H 2 81 GLN H 6.000 . 6.000 4.581 4.380 4.749 . 0 0 "[ . 1 .]" 2
1079 2 15 ILE MG 2 79 ALA H 4.500 . 4.500 4.338 4.029 4.523 0.023 15 0 "[ . 1 .]" 2
1080 2 76 ASP HA 2 79 ALA H 4.500 . 4.500 3.144 2.871 3.436 . 0 0 "[ . 1 .]" 2
1081 2 77 PHE QB 2 79 ALA H 6.000 . 6.000 4.812 4.576 5.123 . 0 0 "[ . 1 .]" 2
1082 2 77 PHE H 2 79 ALA H 6.000 . 6.000 3.979 3.777 4.273 . 0 0 "[ . 1 .]" 2
1083 2 78 TYR HA 2 79 ALA H 4.500 . 4.500 3.514 3.419 3.578 . 0 0 "[ . 1 .]" 2
1084 2 78 TYR HB3 2 79 ALA H 6.000 . 6.000 3.587 3.201 3.849 . 0 0 "[ . 1 .]" 2
1085 2 78 TYR HB2 2 79 ALA H 6.000 . 6.000 2.825 2.507 3.199 . 0 0 "[ . 1 .]" 2
1086 2 78 TYR QD 2 79 ALA H 4.500 . 4.500 4.436 4.290 4.580 0.080 3 0 "[ . 1 .]" 2
1087 2 79 ALA H 2 79 ALA HA 3.000 . 3.000 2.768 2.705 2.851 . 0 0 "[ . 1 .]" 2
1088 2 79 ALA H 2 79 ALA MB 3.000 . 3.000 2.183 2.079 2.276 . 0 0 "[ . 1 .]" 2
1089 2 79 ALA H 2 80 LYS QB 6.000 . 6.000 4.633 4.263 5.375 . 0 0 "[ . 1 .]" 2
1090 2 79 ALA H 2 80 LYS H 4.500 . 4.500 2.793 2.609 3.006 . 0 0 "[ . 1 .]" 2
1091 2 79 ALA H 2 81 GLN QB 6.000 . 6.000 4.722 4.366 5.323 . 0 0 "[ . 1 .]" 2
1092 2 79 ALA H 2 81 GLN QG 6.000 . 6.000 5.166 4.372 5.916 . 0 0 "[ . 1 .]" 2
1093 2 79 ALA H 2 81 GLN H 6.000 . 6.000 4.051 3.829 4.313 . 0 0 "[ . 1 .]" 2
1094 2 80 LYS HA 2 80 LYS QE 6.000 . 6.000 4.085 2.917 5.027 . 0 0 "[ . 1 .]" 2
1095 2 80 LYS HA 2 80 LYS QD 4.500 . 4.500 3.723 2.025 4.495 . 0 0 "[ . 1 .]" 2
1096 2 76 ASP HA 2 80 LYS H 4.500 . 4.500 4.156 3.780 4.513 0.013 12 0 "[ . 1 .]" 2
1097 2 77 PHE H 2 80 LYS H 6.000 . 6.000 4.962 4.730 5.106 . 0 0 "[ . 1 .]" 2
1098 2 78 TYR H 2 80 LYS H 6.000 . 6.000 4.199 3.971 4.415 . 0 0 "[ . 1 .]" 2
1099 2 79 ALA HA 2 80 LYS H 4.500 . 4.500 3.540 3.497 3.563 . 0 0 "[ . 1 .]" 2
1100 2 79 ALA MB 2 80 LYS H 3.000 . 3.000 2.456 2.315 2.561 . 0 0 "[ . 1 .]" 2
1101 2 80 LYS H 2 80 LYS HA 3.000 . 3.000 2.835 2.814 2.875 . 0 0 "[ . 1 .]" 2
1102 2 80 LYS H 2 80 LYS QB 3.000 . 3.000 2.303 2.042 2.903 . 0 0 "[ . 1 .]" 2
1103 2 80 LYS H 2 80 LYS QE 6.000 . 6.000 5.090 3.936 5.957 . 0 0 "[ . 1 .]" 2
1104 2 80 LYS H 2 80 LYS QG 4.500 . 4.500 3.459 1.791 4.031 0.009 12 0 "[ . 1 .]" 2
1105 2 80 LYS H 2 81 GLN QB 4.500 . 4.500 4.343 4.145 4.484 . 0 0 "[ . 1 .]" 2
1106 2 80 LYS H 2 81 GLN H 4.500 . 4.500 2.589 2.439 2.706 . 0 0 "[ . 1 .]" 2
1107 2 80 LYS H 2 82 ARG H 6.000 . 6.000 3.892 3.696 4.271 . 0 0 "[ . 1 .]" 2
1108 2 81 GLN HA 2 84 ALA MB 6.000 . 6.000 2.608 1.995 3.053 . 0 0 "[ . 1 .]" 2
1109 2 77 PHE HZ 2 81 GLN QB 6.000 . 6.000 4.561 3.925 5.002 . 0 0 "[ . 1 .]" 2
1110 2 78 TYR HA 2 81 GLN QB 4.500 . 4.500 2.024 1.785 2.691 0.015 14 0 "[ . 1 .]" 2
1111 2 81 GLN QB 2 84 ALA MB 4.500 . 4.500 4.242 3.712 4.580 0.080 3 0 "[ . 1 .]" 2
1112 2 81 GLN QB 2 85 ILE MD 6.000 . 6.000 5.324 4.734 6.009 0.009 12 0 "[ . 1 .]" 2
1113 2 78 TYR HA 2 81 GLN QE 4.500 . 4.500 4.115 2.933 4.641 0.141 7 0 "[ . 1 .]" 2
1114 2 81 GLN HA 2 81 GLN QE 4.500 . 4.500 3.295 2.615 4.152 . 0 0 "[ . 1 .]" 2
1115 2 81 GLN QB 2 81 GLN HE21 3.000 . 3.000 1.817 1.770 1.910 0.030 14 0 "[ . 1 .]" 2
1116 2 81 GLN HE21 2 85 ILE MD 6.000 . 6.000 5.496 4.732 6.046 0.046 4 0 "[ . 1 .]" 2
1117 2 81 GLN HE21 2 85 ILE MG 4.500 . 4.500 3.068 2.331 4.311 . 0 0 "[ . 1 .]" 2
1118 2 81 GLN HA 2 81 GLN HE22 6.000 . 6.000 4.763 4.244 5.379 . 0 0 "[ . 1 .]" 2
1119 2 81 GLN QB 2 81 GLN HE22 3.000 . 3.000 3.070 3.041 3.106 0.106 12 0 "[ . 1 .]" 2
1120 2 81 GLN HE22 2 85 ILE MG 4.500 . 4.500 3.339 2.334 4.444 . 0 0 "[ . 1 .]" 2
1121 2 78 TYR HA 2 81 GLN QG 6.000 . 6.000 2.510 1.771 3.388 0.029 7 0 "[ . 1 .]" 2
1122 2 77 PHE HA 2 81 GLN H 6.000 . 6.000 4.417 4.157 4.605 . 0 0 "[ . 1 .]" 2
1123 2 78 TYR HA 2 81 GLN H 6.000 . 6.000 2.990 2.626 3.199 . 0 0 "[ . 1 .]" 2
1124 2 78 TYR QB 2 81 GLN H 6.000 . 6.000 4.569 4.322 4.834 . 0 0 "[ . 1 .]" 2
1125 2 80 LYS HA 2 81 GLN H 4.500 . 4.500 3.541 3.512 3.579 . 0 0 "[ . 1 .]" 2
1126 2 80 LYS QB 2 81 GLN H 3.000 . 3.000 2.647 2.377 2.979 . 0 0 "[ . 1 .]" 2
1127 2 81 GLN H 2 81 GLN QB 3.000 . 3.000 2.158 2.049 2.352 . 0 0 "[ . 1 .]" 2
1128 2 81 GLN H 2 81 GLN QE 4.500 . 4.500 4.506 4.362 4.603 0.103 9 0 "[ . 1 .]" 2
1129 2 81 GLN H 2 81 GLN QG 3.000 . 3.000 2.936 2.565 3.087 0.087 13 0 "[ . 1 .]" 2
1130 2 17 TYR QD 2 82 ARG HA 6.000 . 6.000 4.247 3.837 4.673 . 0 0 "[ . 1 .]" 2
1131 2 17 TYR QE 2 82 ARG HA 4.500 . 4.500 4.098 3.447 4.510 0.010 10 0 "[ . 1 .]" 2
1132 2 82 ARG HA 2 83 ALA HA 6.000 . 6.000 4.747 4.648 4.835 . 0 0 "[ . 1 .]" 2
1133 2 82 ARG HA 2 85 ILE MD 4.500 . 4.500 2.571 1.974 3.422 . 0 0 "[ . 1 .]" 2
1134 2 82 ARG HA 2 85 ILE HG13 6.000 . 6.000 3.614 3.106 4.786 . 0 0 "[ . 1 .]" 2
1135 2 82 ARG HA 2 85 ILE HG12 6.000 . 6.000 2.121 1.811 3.218 . 0 0 "[ . 1 .]" 2
1136 2 82 ARG HA 2 85 ILE MG 6.000 . 6.000 2.871 1.829 3.227 . 0 0 "[ . 1 .]" 2
1137 2 17 TYR HA 2 82 ARG HD3 6.000 . 6.000 4.633 4.207 6.016 0.016 5 0 "[ . 1 .]" 2
1138 2 17 TYR QD 2 82 ARG HD3 4.500 . 4.500 2.657 1.900 3.323 . 0 0 "[ . 1 .]" 2
1139 2 17 TYR QE 2 82 ARG HD3 6.000 . 6.000 3.814 3.331 4.586 . 0 0 "[ . 1 .]" 2
1140 2 82 ARG HD3 2 85 ILE MD 6.000 . 6.000 2.840 2.184 3.727 . 0 0 "[ . 1 .]" 2
1141 2 82 ARG HD3 2 85 ILE MG 4.500 . 4.500 4.395 3.310 4.556 0.056 1 0 "[ . 1 .]" 2
1142 2 17 TYR HA 2 82 ARG HD2 6.000 . 6.000 5.840 4.439 6.055 0.055 15 0 "[ . 1 .]" 2
1143 2 17 TYR QD 2 82 ARG HD2 6.000 . 6.000 3.796 2.440 4.371 . 0 0 "[ . 1 .]" 2
1144 2 17 TYR QE 2 82 ARG HD2 6.000 . 6.000 4.686 3.171 5.419 . 0 0 "[ . 1 .]" 2
1145 2 82 ARG HD2 2 85 ILE MD 6.000 . 6.000 2.431 1.855 4.361 . 0 0 "[ . 1 .]" 2
1146 2 82 ARG HD2 2 85 ILE MG 4.500 . 4.500 4.286 3.115 4.541 0.041 5 0 "[ . 1 .]" 2
1147 2 17 TYR QD 2 82 ARG QG 6.000 . 6.000 2.447 1.851 3.904 . 0 0 "[ . 1 .]" 2
1148 2 17 TYR QE 2 82 ARG QG 4.500 . 4.500 3.072 2.456 4.518 0.018 5 0 "[ . 1 .]" 2
1149 2 17 TYR QD 2 82 ARG H 6.000 . 6.000 5.551 5.031 5.968 . 0 0 "[ . 1 .]" 2
1150 2 17 TYR QE 2 82 ARG H 6.000 . 6.000 4.883 4.246 5.735 . 0 0 "[ . 1 .]" 2
1151 2 79 ALA HA 2 82 ARG H 4.500 . 4.500 3.567 3.405 3.874 . 0 0 "[ . 1 .]" 2
1152 2 79 ALA MB 2 82 ARG H 6.000 . 6.000 4.526 4.300 4.719 . 0 0 "[ . 1 .]" 2
1153 2 81 GLN HA 2 82 ARG H 4.500 . 4.500 3.460 3.329 3.562 . 0 0 "[ . 1 .]" 2
1154 2 81 GLN QB 2 82 ARG H 4.500 . 4.500 3.091 2.461 3.653 . 0 0 "[ . 1 .]" 2
1155 2 81 GLN H 2 82 ARG H 4.500 . 4.500 2.658 2.539 2.793 . 0 0 "[ . 1 .]" 2
1156 2 82 ARG H 2 82 ARG QD 6.000 . 6.000 4.224 3.193 4.568 . 0 0 "[ . 1 .]" 2
1157 2 82 ARG H 2 82 ARG QG 4.500 . 4.500 3.284 2.025 3.900 . 0 0 "[ . 1 .]" 2
1158 2 82 ARG H 2 83 ALA H 4.500 . 4.500 2.600 2.204 2.990 . 0 0 "[ . 1 .]" 2
1159 2 82 ARG H 2 84 ALA H 4.500 . 4.500 3.797 3.468 4.129 . 0 0 "[ . 1 .]" 2
1160 2 79 ALA HA 2 83 ALA H 4.500 . 4.500 4.470 4.374 4.554 0.054 5 0 "[ . 1 .]" 2
1161 2 82 ARG HA 2 83 ALA H 4.500 . 4.500 3.544 3.460 3.572 . 0 0 "[ . 1 .]" 2
1162 2 82 ARG QD 2 83 ALA H 6.000 . 6.000 4.467 3.991 4.877 . 0 0 "[ . 1 .]" 2
1163 2 83 ALA H 2 83 ALA MB 3.000 . 3.000 2.172 2.061 2.276 . 0 0 "[ . 1 .]" 2
1164 2 83 ALA H 2 84 ALA H 3.000 . 3.000 2.559 2.330 2.860 . 0 0 "[ . 1 .]" 2
1165 2 81 GLN HA 2 84 ALA H 4.500 . 4.500 3.536 2.988 3.945 . 0 0 "[ . 1 .]" 2
1166 2 82 ARG HA 2 84 ALA H 6.000 . 6.000 4.258 3.865 4.707 . 0 0 "[ . 1 .]" 2
1167 2 84 ALA H 2 84 ALA HA 3.000 . 3.000 2.863 2.800 2.948 . 0 0 "[ . 1 .]" 2
1168 2 84 ALA H 2 84 ALA MB 3.000 . 3.000 2.194 2.093 2.348 . 0 0 "[ . 1 .]" 2
1169 2 84 ALA H 2 85 ILE HB 6.000 . 6.000 6.054 5.964 6.161 0.161 8 0 "[ . 1 .]" 2
1170 2 85 ILE HA 2 85 ILE MD 4.500 . 4.500 4.119 3.990 4.171 . 0 0 "[ . 1 .]" 2
1171 2 85 ILE HA 2 86 PRO HD3 3.000 . 3.000 2.274 1.938 2.498 . 0 0 "[ . 1 .]" 2
1172 2 85 ILE HA 2 86 PRO HD2 3.000 . 3.000 2.206 2.035 2.446 . 0 0 "[ . 1 .]" 2
1173 2 85 ILE HB 2 86 PRO QD 4.500 . 4.500 3.439 2.491 3.958 . 0 0 "[ . 1 .]" 2
1174 2 17 TYR QD 2 85 ILE MD 4.500 . 4.500 3.532 2.732 4.107 . 0 0 "[ . 1 .]" 2
1175 2 17 TYR QE 2 85 ILE MD 4.500 . 4.500 3.720 2.930 4.391 . 0 0 "[ . 1 .]" 2
1176 2 85 ILE MD 2 85 ILE MG 3.000 . 3.000 2.446 2.207 2.758 . 0 0 "[ . 1 .]" 2
1177 2 85 ILE MD 2 86 PRO HD3 6.000 . 6.000 5.637 5.113 5.893 . 0 0 "[ . 1 .]" 2
1178 2 85 ILE MD 2 86 PRO HD2 6.000 . 6.000 5.161 4.076 5.668 . 0 0 "[ . 1 .]" 2
1179 2 85 ILE QG 2 86 PRO QD 6.000 . 6.000 4.233 4.027 4.347 . 0 0 "[ . 1 .]" 2
1180 2 17 TYR QE 2 85 ILE MG 6.000 . 6.000 3.305 1.886 4.067 . 0 0 "[ . 1 .]" 2
1181 2 85 ILE QG 2 85 ILE MG 3.000 . 3.000 2.073 1.916 2.256 . 0 0 "[ . 1 .]" 2
1182 2 85 ILE MG 2 86 PRO HD3 4.500 . 4.500 4.026 3.771 4.194 . 0 0 "[ . 1 .]" 2
1183 2 85 ILE MG 2 86 PRO HD2 4.500 . 4.500 3.602 3.256 4.165 . 0 0 "[ . 1 .]" 2
1184 2 81 GLN QG 2 85 ILE H 6.000 . 6.000 5.066 4.272 5.933 . 0 0 "[ . 1 .]" 2
1185 2 82 ARG HA 2 85 ILE H 4.500 . 4.500 4.157 3.479 4.553 0.053 13 0 "[ . 1 .]" 2
1186 2 83 ALA H 2 85 ILE H 6.000 . 6.000 4.773 4.004 5.406 . 0 0 "[ . 1 .]" 2
1187 2 84 ALA HA 2 85 ILE H 6.000 . 6.000 3.481 2.616 3.571 . 0 0 "[ . 1 .]" 2
1188 2 85 ILE H 2 85 ILE MD 4.500 . 4.500 4.045 3.689 4.304 . 0 0 "[ . 1 .]" 2
1189 2 85 ILE H 2 85 ILE HG13 3.000 . 3.000 2.897 2.454 3.046 0.046 4 0 "[ . 1 .]" 2
1190 2 85 ILE H 2 85 ILE HG12 3.000 . 3.000 2.639 2.050 3.013 0.013 6 0 "[ . 1 .]" 2
1191 2 85 ILE H 2 85 ILE MG 3.000 . 3.000 2.464 2.090 2.948 . 0 0 "[ . 1 .]" 2
1192 2 85 ILE H 2 86 PRO QD 4.500 . 4.500 3.682 3.081 4.291 . 0 0 "[ . 1 .]" 2
1193 2 85 ILE HA 2 86 PRO QB 4.500 . 4.500 4.531 4.457 4.591 0.091 13 0 "[ . 1 .]" 2
1194 2 85 ILE QG 2 86 PRO HD3 6.000 . 6.000 4.760 4.546 4.964 . 0 0 "[ . 1 .]" 2
1195 2 86 PRO HA 2 86 PRO HD3 4.500 . 4.500 3.619 3.388 3.857 . 0 0 "[ . 1 .]" 2
1196 2 85 ILE QG 2 86 PRO HD2 6.000 . 6.000 4.779 4.314 5.002 . 0 0 "[ . 1 .]" 2
1197 2 86 PRO HA 2 86 PRO HD2 4.500 . 4.500 3.989 3.913 4.099 . 0 0 "[ . 1 .]" 2
1198 2 85 ILE HA 2 86 PRO HG3 6.000 . 6.000 4.377 4.142 4.547 . 0 0 "[ . 1 .]" 2
1199 2 85 ILE HA 2 86 PRO HG2 6.000 . 6.000 4.344 4.231 4.465 . 0 0 "[ . 1 .]" 2
1200 2 87 ARG HA 2 87 ARG QD 4.500 . 4.500 3.529 1.837 4.257 . 0 0 "[ . 1 .]" 2
1201 2 86 PRO HA 2 87 ARG H 6.000 . 6.000 2.894 2.226 3.550 . 0 0 "[ . 1 .]" 2
1202 2 86 PRO HB3 2 87 ARG H 4.500 . 4.500 3.508 2.336 4.588 0.088 1 0 "[ . 1 .]" 2
1203 2 86 PRO HB2 2 87 ARG H 4.500 . 4.500 3.111 1.969 4.294 . 0 0 "[ . 1 .]" 2
1204 2 86 PRO QG 2 87 ARG H 4.500 . 4.500 3.875 2.653 4.502 0.002 1 0 "[ . 1 .]" 2
1205 2 87 ARG H 2 87 ARG QD 6.000 . 6.000 4.247 2.276 5.466 . 0 0 "[ . 1 .]" 2
1206 2 87 ARG H 2 87 ARG QG 4.500 . 4.500 3.576 2.093 4.054 . 0 0 "[ . 1 .]" 2
1207 2 87 ARG HA 2 88 SER H 4.500 . 4.500 2.717 2.156 3.576 . 0 0 "[ . 1 .]" 2
1208 2 87 ARG HB3 2 88 SER H 6.000 . 6.000 3.621 2.100 4.515 . 0 0 "[ . 1 .]" 2
1209 2 87 ARG HB2 2 88 SER H 6.000 . 6.000 3.871 1.860 4.664 . 0 0 "[ . 1 .]" 2
1210 2 87 ARG QG 2 88 SER H 6.000 . 6.000 3.703 1.922 4.608 . 0 0 "[ . 1 .]" 2
1211 2 88 SER HA 2 89 GLU H 6.000 . 6.000 2.580 2.157 3.558 . 0 0 "[ . 1 .]" 2
1212 2 88 SER QB 2 89 GLU H 6.000 . 6.000 3.075 1.880 4.024 . 0 0 "[ . 1 .]" 2
1213 2 89 GLU H 2 89 GLU HA 3.000 . 3.000 2.745 2.274 2.944 . 0 0 "[ . 1 .]" 2
1214 2 89 GLU H 2 90 SER H 6.000 . 6.000 3.625 1.889 4.620 . 0 0 "[ . 1 .]" 2
1215 2 89 GLU HA 2 90 SER H 4.500 . 4.500 2.736 2.143 3.569 . 0 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 96.981
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.0562
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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
2 3 LEU 0.461 0.145 14 0 "[ . 1 .]"
2 4 ASP 0.194 0.070 6 0 "[ . 1 .]"
2 5 MET 0.267 0.145 14 0 "[ . 1 .]"
2 6 ASN 0.000 0.000 . 0 "[ . 1 .]"
2 7 ALA 0.162 0.042 6 0 "[ . 1 .]"
2 8 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 9 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 10 GLN 0.000 0.000 . 0 "[ . 1 .]"
2 11 LEU 0.162 0.042 6 0 "[ . 1 .]"
2 17 TYR 0.211 0.079 5 0 "[ . 1 .]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 22 LEU 0.035 0.035 9 0 "[ . 1 .]"
2 24 TYR 0.000 0.000 . 0 "[ . 1 .]"
2 25 VAL 1.027 0.264 15 0 "[ . 1 .]"
2 26 THR 0.157 0.095 13 0 "[ . 1 .]"
2 27 VAL 2.109 0.264 15 0 "[ . 1 .]"
2 28 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 30 PRO 0.351 0.123 6 0 "[ . 1 .]"
2 36 ASN 0.351 0.123 6 0 "[ . 1 .]"
2 38 ILE 1.670 0.126 13 0 "[ . 1 .]"
2 39 VAL 1.502 0.126 13 0 "[ . 1 .]"
2 40 GLU 1.027 0.264 15 0 "[ . 1 .]"
2 43 VAL 0.746 0.220 12 0 "[ . 1 .]"
2 44 GLY 0.711 0.220 12 0 "[ . 1 .]"
2 46 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 47 THR 0.711 0.220 12 0 "[ . 1 .]"
2 48 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 49 LEU 1.171 0.133 6 0 "[ . 1 .]"
2 51 THR 0.067 0.048 11 0 "[ . 1 .]"
2 52 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 54 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 55 ARG 0.351 0.123 6 0 "[ . 1 .]"
2 59 ILE 0.484 0.077 4 0 "[ . 1 .]"
2 62 ILE 0.484 0.077 4 0 "[ . 1 .]"
2 63 ARG 0.484 0.077 4 0 "[ . 1 .]"
2 64 ALA 0.067 0.048 11 0 "[ . 1 .]"
2 67 ASN 0.067 0.048 11 0 "[ . 1 .]"
2 69 LEU 0.162 0.042 6 0 "[ . 1 .]"
2 70 ARG 1.171 0.133 6 0 "[ . 1 .]"
2 78 TYR 0.211 0.079 5 0 "[ . 1 .]"
2 79 ALA 0.211 0.079 5 0 "[ . 1 .]"
2 80 LYS 0.115 0.051 5 0 "[ . 1 .]"
2 81 GLN 0.115 0.051 5 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 2 3 LEU QB 2 5 MET ME 4.500 . 4.500 3.872 2.503 4.645 0.145 14 0 "[ . 1 .]" 3
2 2 3 LEU QD 2 5 MET ME 3.000 . 3.000 2.616 1.883 3.018 0.018 15 0 "[ . 1 .]" 3
3 2 3 LEU QB 2 4 ASP H 3.000 . 3.000 2.772 1.923 3.070 0.070 6 0 "[ . 1 .]" 3
4 2 5 MET HA 2 5 MET ME 3.000 . 4.500 2.845 2.214 3.295 . 0 0 "[ . 1 .]" 3
5 2 5 MET H 2 5 MET ME 3.000 . 4.500 2.910 1.818 3.719 . 0 0 "[ . 1 .]" 3
6 2 5 MET ME 2 6 ASN H 4.500 . 4.500 2.076 1.656 3.091 . 0 0 "[ . 1 .]" 3
7 2 7 ALA MB 2 11 LEU MD1 4.500 . 4.500 2.664 2.077 3.231 . 0 0 "[ . 1 .]" 3
8 2 7 ALA MB 2 11 LEU MD2 3.000 . 3.000 2.576 1.831 3.042 0.042 6 0 "[ . 1 .]" 3
9 2 8 LYS H 2 8 LYS QB 3.000 . 3.000 2.510 2.163 2.874 . 0 0 "[ . 1 .]" 3
10 2 8 LYS QB 2 9 ARG H 3.000 . 3.000 2.062 1.966 2.143 . 0 0 "[ . 1 .]" 3
11 2 7 ALA HA 2 10 GLN H 3.000 . 3.000 2.651 2.619 2.679 . 0 0 "[ . 1 .]" 3
12 2 10 GLN HA 2 11 LEU H 3.000 . 3.000 2.676 2.611 2.721 . 0 0 "[ . 1 .]" 3
13 2 24 TYR HA 2 25 VAL MG1 4.500 . 4.500 3.937 3.735 4.110 . 0 0 "[ . 1 .]" 3
14 2 25 VAL QG 2 26 THR HB 4.500 . 4.500 4.332 3.813 4.499 . 0 0 "[ . 1 .]" 3
15 2 26 THR MG 2 28 LYS QE 4.500 . 4.500 3.735 2.666 4.434 . 0 0 "[ . 1 .]" 3
16 2 26 THR MG 2 27 VAL H 3.000 . 3.000 2.716 2.281 3.095 0.095 13 0 "[ . 1 .]" 3
17 2 30 PRO HA 2 36 ASN H 3.000 . 3.000 2.935 2.648 3.123 0.123 6 0 "[ . 1 .]" 3
18 2 38 ILE H 2 38 ILE MD 3.000 . 3.000 2.031 1.789 2.281 0.011 15 0 "[ . 1 .]" 3
19 2 27 VAL MG2 2 38 ILE MG 3.000 . 3.000 1.753 1.682 2.018 0.118 6 0 "[ . 1 .]" 3
20 2 38 ILE MD 2 39 VAL H 3.000 . 3.000 2.931 2.290 3.126 0.126 13 0 "[ . 1 .]" 3
21 2 25 VAL QG 2 40 GLU H 3.000 . 3.000 3.000 2.244 3.264 0.264 15 0 "[ . 1 .]" 3
22 2 22 LEU QB 2 43 VAL HA 4.500 . 4.500 3.641 2.898 4.535 0.035 9 0 "[ . 1 .]" 3
23 2 43 VAL MG1 2 44 GLY QA 4.500 . 4.500 4.506 4.287 4.720 0.220 12 0 "[ . 1 .]" 3
24 2 20 LEU MD1 2 44 GLY H 6.000 . 6.000 5.411 5.082 5.753 . 0 0 "[ . 1 .]" 3
25 2 20 LEU MD2 2 44 GLY H 4.500 . 4.500 3.851 3.072 4.291 . 0 0 "[ . 1 .]" 3
26 2 22 LEU MD1 2 44 GLY H 4.500 . 4.500 3.383 3.019 4.050 . 0 0 "[ . 1 .]" 3
27 2 44 GLY QA 2 46 GLY H 4.500 . 4.500 3.397 3.096 4.098 . 0 0 "[ . 1 .]" 3
28 2 47 THR HB 2 49 LEU MD1 4.500 . 4.500 3.062 1.934 3.558 . 0 0 "[ . 1 .]" 3
29 2 38 ILE MD 2 52 GLY H 4.500 . 4.500 2.715 1.819 3.276 . 0 0 "[ . 1 .]" 3
30 2 59 ILE MD 2 63 ARG QD 6.000 . 6.000 5.985 5.335 6.077 0.077 4 0 "[ . 1 .]" 3
31 2 54 GLY QA 2 63 ARG H 4.500 . 6.000 4.990 4.793 5.111 . 0 0 "[ . 1 .]" 3
32 2 51 THR HA 2 67 ASN HD21 4.500 . 4.500 3.530 2.821 4.548 0.048 11 0 "[ . 1 .]" 3
33 2 51 THR HA 2 67 ASN HD22 4.500 . 4.500 4.314 4.000 4.520 0.020 15 0 "[ . 1 .]" 3
34 2 49 LEU QB 2 70 ARG H 4.500 . 4.500 4.578 4.540 4.633 0.133 6 0 "[ . 1 .]" 3
35 2 17 TYR QE 2 79 ALA H 6.000 . 6.000 5.634 4.367 6.079 0.079 5 0 "[ . 1 .]" 3
36 2 80 LYS QD 2 81 GLN H 3.000 . 3.000 2.886 2.465 3.051 0.051 5 0 "[ . 1 .]" 3
stop_
save_
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