NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588602 |
2mtq   |
25177 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mtq
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 907
_Distance_constraint_stats_list.Viol_count 1698
_Distance_constraint_stats_list.Viol_total 1735.182
_Distance_constraint_stats_list.Viol_max 0.589
_Distance_constraint_stats_list.Viol_rms 0.0205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0511
_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 4 TRP 2.707 0.093 19 0 "[ . 1 . 2]"
1 5 ALA 1.733 0.134 17 0 "[ . 1 . 2]"
1 6 GLU 1.079 0.052 13 0 "[ . 1 . 2]"
1 7 PHE 1.324 0.077 8 0 "[ . 1 . 2]"
1 8 LYS 2.963 0.245 17 0 "[ . 1 . 2]"
1 9 GLN 3.065 0.215 20 0 "[ . 1 . 2]"
1 10 ARG 2.972 0.245 17 0 "[ . 1 . 2]"
1 11 LEU 3.403 0.109 20 0 "[ . 1 . 2]"
1 12 ALA 3.111 0.135 11 0 "[ . 1 . 2]"
1 13 ALA 3.081 0.103 19 0 "[ . 1 . 2]"
1 14 ILE 2.121 0.109 20 0 "[ . 1 . 2]"
1 15 LYS 3.058 0.135 11 0 "[ . 1 . 2]"
1 16 THR 3.332 0.104 17 0 "[ . 1 . 2]"
1 17 ARG 0.383 0.138 19 0 "[ . 1 . 2]"
1 18 CYS 7.237 0.217 12 0 "[ . 1 . 2]"
1 19 GLN 1.471 0.104 17 0 "[ . 1 . 2]"
1 20 ALA 0.341 0.138 19 0 "[ . 1 . 2]"
1 21 LEU 4.867 0.194 12 0 "[ . 1 . 2]"
1 22 GLY 0.883 0.194 12 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 3.596 0.198 10 0 "[ . 1 . 2]"
1 25 GLU 0.412 0.130 12 0 "[ . 1 . 2]"
1 26 ALA 2.478 0.140 12 0 "[ . 1 . 2]"
1 27 GLU 1.892 0.170 10 0 "[ . 1 . 2]"
1 28 CYS 6.033 0.217 12 0 "[ . 1 . 2]"
1 29 ALA 2.656 0.120 10 0 "[ . 1 . 2]"
1 30 ALA 1.335 0.148 12 0 "[ . 1 . 2]"
1 31 PHE 5.506 0.194 6 0 "[ . 1 . 2]"
1 32 GLU 1.457 0.120 10 0 "[ . 1 . 2]"
1 33 LYS 1.359 0.091 7 0 "[ . 1 . 2]"
1 34 GLU 1.881 0.079 11 0 "[ . 1 . 2]"
1 35 ILE 7.179 0.194 6 0 "[ . 1 . 2]"
1 36 ALA 0.906 0.053 5 0 "[ . 1 . 2]"
1 37 ALA 1.539 0.074 4 0 "[ . 1 . 2]"
1 38 PHE 4.087 0.132 11 0 "[ . 1 . 2]"
1 39 GLU 0.713 0.051 13 0 "[ . 1 . 2]"
1 40 SER 2.276 0.171 4 0 "[ . 1 . 2]"
1 41 GLU 3.617 0.132 11 0 "[ . 1 . 2]"
1 42 LEU 1.040 0.054 4 0 "[ . 1 . 2]"
1 43 GLN 2.504 0.171 4 0 "[ . 1 . 2]"
1 44 ALA 1.957 0.125 4 0 "[ . 1 . 2]"
1 45 TYR 1.306 0.060 3 0 "[ . 1 . 2]"
1 46 LYS 0.224 0.060 3 0 "[ . 1 . 2]"
1 47 GLY 0.743 0.091 9 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASN 0.178 0.092 10 0 "[ . 1 . 2]"
1 51 PRO 0.706 0.112 5 0 "[ . 1 . 2]"
1 52 GLU 1.213 0.091 9 0 "[ . 1 . 2]"
1 53 VAL 1.637 0.113 8 0 "[ . 1 . 2]"
1 54 GLU 2.120 0.113 8 0 "[ . 1 . 2]"
1 55 ALA 1.469 0.110 13 0 "[ . 1 . 2]"
1 56 LEU 2.107 0.178 13 0 "[ . 1 . 2]"
1 57 ARG 1.764 0.178 13 0 "[ . 1 . 2]"
1 58 LYS 1.302 0.110 13 0 "[ . 1 . 2]"
1 59 GLU 1.694 0.216 19 0 "[ . 1 . 2]"
1 60 ALA 1.645 0.103 19 0 "[ . 1 . 2]"
1 61 ALA 1.247 0.079 16 0 "[ . 1 . 2]"
1 62 ALA 1.820 0.082 7 0 "[ . 1 . 2]"
1 63 ILE 5.095 0.189 14 0 "[ . 1 . 2]"
1 64 ARG 3.935 0.148 14 0 "[ . 1 . 2]"
1 65 ASP 3.659 0.137 15 0 "[ . 1 . 2]"
1 66 GLU 2.283 0.139 15 0 "[ . 1 . 2]"
1 67 CYS 4.025 0.162 16 0 "[ . 1 . 2]"
1 68 GLN 3.566 0.137 15 0 "[ . 1 . 2]"
1 69 ALA 3.539 0.197 11 0 "[ . 1 . 2]"
1 70 TYR 7.492 0.589 18 2 "[ . 1 . + -]"
1 71 ARG 1.011 0.145 11 0 "[ . 1 . 2]"
1 72 HIS 6.496 0.589 18 2 "[ . 1 . + -]"
1 73 ASN 4.529 0.321 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 TRP H 1 4 TRP HA . . 3.000 2.852 2.761 2.892 . 0 0 "[ . 1 . 2]" 1
2 1 4 TRP HA 1 4 TRP HD1 . . 4.500 4.022 2.266 4.330 . 0 0 "[ . 1 . 2]" 1
3 1 4 TRP H 1 5 ALA H . . 3.000 2.576 2.403 2.840 . 0 0 "[ . 1 . 2]" 1
4 1 4 TRP QB 1 5 ALA MB . . 5.000 3.988 3.781 4.209 . 0 0 "[ . 1 . 2]" 1
5 1 4 TRP QB 1 56 LEU QD . . 6.000 3.950 2.799 4.676 . 0 0 "[ . 1 . 2]" 1
6 1 4 TRP HE3 1 52 GLU QB . . 5.500 2.945 2.220 4.121 . 0 0 "[ . 1 . 2]" 1
7 1 4 TRP HA 1 56 LEU QD . . 7.000 3.368 2.598 4.089 . 0 0 "[ . 1 . 2]" 1
8 1 4 TRP QB 1 52 GLU QG . . 7.000 5.154 3.030 6.360 . 0 0 "[ . 1 . 2]" 1
9 1 4 TRP QB 1 52 GLU QB . . 7.000 4.156 2.228 5.218 . 0 0 "[ . 1 . 2]" 1
10 1 4 TRP HE3 1 54 GLU H . . 7.000 7.048 7.009 7.093 0.093 19 0 "[ . 1 . 2]" 1
11 1 4 TRP HH2 1 54 GLU H . . 7.000 5.930 4.941 6.904 . 0 0 "[ . 1 . 2]" 1
12 1 4 TRP HZ3 1 54 GLU H . . 7.000 5.234 4.728 6.923 . 0 0 "[ . 1 . 2]" 1
13 1 4 TRP HA 1 7 PHE QB . . 4.500 2.620 2.542 2.728 . 0 0 "[ . 1 . 2]" 1
14 1 4 TRP HD1 1 5 ALA H . . 5.000 3.266 2.891 4.546 . 0 0 "[ . 1 . 2]" 1
15 1 4 TRP H 1 6 GLU H . . 4.500 4.289 3.984 4.541 0.041 9 0 "[ . 1 . 2]" 1
16 1 4 TRP HA 1 6 GLU H . . 4.500 4.528 4.509 4.544 0.044 14 0 "[ . 1 . 2]" 1
17 1 4 TRP HA 1 7 PHE H . . 3.500 3.535 3.495 3.577 0.077 8 0 "[ . 1 . 2]" 1
18 1 4 TRP HD1 1 8 LYS HA . . 6.000 5.831 4.182 6.061 0.061 7 0 "[ . 1 . 2]" 1
19 1 4 TRP HZ3 1 8 LYS QD . . 6.000 5.834 5.168 6.018 0.018 7 0 "[ . 1 . 2]" 1
20 1 4 TRP HZ2 1 8 LYS QD . . 6.000 3.041 2.383 3.913 . 0 0 "[ . 1 . 2]" 1
21 1 4 TRP HZ2 1 8 LYS QG . . 6.000 4.061 2.733 5.077 . 0 0 "[ . 1 . 2]" 1
22 1 4 TRP HD1 1 8 LYS QE . . 6.000 4.923 3.257 5.927 . 0 0 "[ . 1 . 2]" 1
23 1 5 ALA H 1 5 ALA MB . . 3.500 2.101 2.025 2.231 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA H 1 5 ALA HA . . 3.000 2.760 2.741 2.784 . 0 0 "[ . 1 . 2]" 1
25 1 4 TRP HA 1 5 ALA H . . 4.000 3.544 3.503 3.569 . 0 0 "[ . 1 . 2]" 1
26 1 5 ALA H 1 8 LYS H . . 6.000 4.697 4.618 4.783 . 0 0 "[ . 1 . 2]" 1
27 1 5 ALA MB 1 6 GLU N . . 4.300 2.634 2.548 2.723 . 0 0 "[ . 1 . 2]" 1
28 1 5 ALA H 1 6 GLU H . . 3.000 2.893 2.814 2.957 . 0 0 "[ . 1 . 2]" 1
29 1 5 ALA H 1 7 PHE H . . 4.500 4.404 4.292 4.542 0.042 17 0 "[ . 1 . 2]" 1
30 1 5 ALA HA 1 8 LYS H . . 3.500 3.585 3.554 3.634 0.134 17 0 "[ . 1 . 2]" 1
31 1 5 ALA HA 1 8 LYS QB . . 4.500 2.635 2.524 2.822 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLU H 1 6 GLU HA . . 3.000 2.791 2.768 2.806 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLU H 1 6 GLU QB . . 3.500 2.165 2.044 2.527 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLU HA 1 6 GLU QG . . 3.500 2.234 2.073 2.565 . 0 0 "[ . 1 . 2]" 1
35 1 6 GLU QB 1 7 PHE H . . 4.300 2.477 2.335 2.642 . 0 0 "[ . 1 . 2]" 1
36 1 6 GLU H 1 8 LYS H . . 4.500 4.095 3.954 4.219 . 0 0 "[ . 1 . 2]" 1
37 1 6 GLU H 1 9 GLN H . . 5.500 4.764 4.677 4.822 . 0 0 "[ . 1 . 2]" 1
38 1 6 GLU H 1 7 PHE H . . 3.000 2.812 2.725 2.934 . 0 0 "[ . 1 . 2]" 1
39 1 6 GLU HA 1 9 GLN H . . 3.500 3.517 3.397 3.552 0.052 13 0 "[ . 1 . 2]" 1
40 1 6 GLU HA 1 9 GLN QB . . 4.500 2.821 2.582 3.023 . 0 0 "[ . 1 . 2]" 1
41 1 7 PHE H 1 7 PHE HA . . 3.000 2.795 2.756 2.814 . 0 0 "[ . 1 . 2]" 1
42 1 7 PHE H 1 7 PHE QD . . 5.500 2.674 2.260 3.205 . 0 0 "[ . 1 . 2]" 1
43 1 7 PHE H 1 7 PHE QB . . 3.500 2.111 2.044 2.230 . 0 0 "[ . 1 . 2]" 1
44 1 7 PHE H 1 8 LYS H . . 3.000 2.705 2.664 2.811 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLU HA 1 7 PHE H . . 4.000 3.559 3.543 3.567 . 0 0 "[ . 1 . 2]" 1
46 1 7 PHE HA 1 10 ARG QB . . 4.500 2.974 2.853 3.224 . 0 0 "[ . 1 . 2]" 1
47 1 7 PHE HA 1 10 ARG QG . . 5.000 4.394 2.462 5.055 0.055 4 0 "[ . 1 . 2]" 1
48 1 7 PHE QB 1 8 LYS H . . 4.300 2.745 2.667 2.850 . 0 0 "[ . 1 . 2]" 1
49 1 7 PHE HA 1 11 LEU QD . . 5.000 4.066 3.197 5.019 0.019 15 0 "[ . 1 . 2]" 1
50 1 7 PHE HA 1 10 ARG QD . . 5.000 2.838 2.246 4.389 . 0 0 "[ . 1 . 2]" 1
51 1 7 PHE H 1 56 LEU QD . . 7.000 4.431 4.017 4.891 . 0 0 "[ . 1 . 2]" 1
52 1 7 PHE QB 1 56 LEU QD . . 6.000 2.004 1.832 2.554 . 0 0 "[ . 1 . 2]" 1
53 1 7 PHE QR 1 8 LYS H . . 7.000 4.502 4.382 4.576 . 0 0 "[ . 1 . 2]" 1
54 1 7 PHE H 1 9 GLN H . . 4.500 4.257 4.111 4.358 . 0 0 "[ . 1 . 2]" 1
55 1 7 PHE HA 1 9 GLN H . . 4.500 4.460 4.335 4.524 0.024 20 0 "[ . 1 . 2]" 1
56 1 7 PHE QR 1 9 GLN H . . 6.000 5.942 5.845 6.054 0.054 15 0 "[ . 1 . 2]" 1
57 1 7 PHE HA 1 10 ARG H . . 4.000 3.795 3.533 3.938 . 0 0 "[ . 1 . 2]" 1
58 1 7 PHE QD 1 42 LEU H . . 7.000 6.047 5.540 6.756 . 0 0 "[ . 1 . 2]" 1
59 1 7 PHE QE 1 42 LEU H . . 6.000 4.224 3.841 4.653 . 0 0 "[ . 1 . 2]" 1
60 1 7 PHE HZ 1 42 LEU H . . 5.000 5.016 5.004 5.054 0.054 4 0 "[ . 1 . 2]" 1
61 1 7 PHE QD 1 42 LEU QD . . 6.000 2.150 1.871 2.644 . 0 0 "[ . 1 . 2]" 1
62 1 7 PHE QE 1 42 LEU QD . . 6.000 2.157 1.837 2.702 . 0 0 "[ . 1 . 2]" 1
63 1 7 PHE QR 1 53 VAL HA . . 7.000 6.066 5.354 6.706 . 0 0 "[ . 1 . 2]" 1
64 1 7 PHE QB 1 53 VAL QG . . 7.000 5.866 5.298 6.401 . 0 0 "[ . 1 . 2]" 1
65 1 7 PHE QR 1 53 VAL QG . . 7.000 4.913 4.406 5.515 . 0 0 "[ . 1 . 2]" 1
66 1 7 PHE QD 1 56 LEU QD . . 6.000 2.215 1.757 2.907 . 0 0 "[ . 1 . 2]" 1
67 1 7 PHE QE 1 56 LEU QD . . 7.000 3.622 3.140 4.310 . 0 0 "[ . 1 . 2]" 1
68 1 8 LYS H 1 8 LYS HA . . 3.000 2.823 2.807 2.837 . 0 0 "[ . 1 . 2]" 1
69 1 8 LYS H 1 8 LYS QE . . 5.500 5.219 4.323 5.537 0.037 17 0 "[ . 1 . 2]" 1
70 1 8 LYS H 1 8 LYS QG . . 4.500 3.549 2.485 4.052 . 0 0 "[ . 1 . 2]" 1
71 1 8 LYS HA 1 8 LYS QG . . 3.500 2.464 2.060 2.973 . 0 0 "[ . 1 . 2]" 1
72 1 8 LYS QB 1 8 LYS QE . . 4.000 2.848 1.973 3.642 . 0 0 "[ . 1 . 2]" 1
73 1 8 LYS H 1 8 LYS QB . . 3.000 2.180 2.044 2.323 . 0 0 "[ . 1 . 2]" 1
74 1 8 LYS QE 1 8 LYS QG . . 3.500 2.123 1.958 2.286 . 0 0 "[ . 1 . 2]" 1
75 1 8 LYS QB 1 8 LYS QD . . 3.500 2.208 1.952 2.596 . 0 0 "[ . 1 . 2]" 1
76 1 8 LYS HA 1 8 LYS QD . . 4.500 2.797 1.967 3.966 . 0 0 "[ . 1 . 2]" 1
77 1 8 LYS H 1 9 GLN QB . . 5.000 4.328 4.280 4.364 . 0 0 "[ . 1 . 2]" 1
78 1 7 PHE HA 1 8 LYS H . . 4.000 3.523 3.497 3.541 . 0 0 "[ . 1 . 2]" 1
79 1 8 LYS HA 1 10 ARG QD . . 6.000 6.027 5.903 6.245 0.245 17 0 "[ . 1 . 2]" 1
80 1 8 LYS H 1 56 LEU QD . . 7.000 3.861 3.343 4.235 . 0 0 "[ . 1 . 2]" 1
81 1 8 LYS HA 1 56 LEU QD . . 6.000 3.503 2.798 4.019 . 0 0 "[ . 1 . 2]" 1
82 1 8 LYS H 1 9 GLN H . . 3.000 2.654 2.613 2.714 . 0 0 "[ . 1 . 2]" 1
83 1 8 LYS QB 1 9 GLN H . . 4.300 2.588 2.479 2.720 . 0 0 "[ . 1 . 2]" 1
84 1 8 LYS QB 1 9 GLN HA . . 5.000 3.912 3.731 4.123 . 0 0 "[ . 1 . 2]" 1
85 1 8 LYS H 1 10 ARG H . . 4.500 4.465 4.193 4.535 0.035 20 0 "[ . 1 . 2]" 1
86 1 8 LYS HA 1 11 LEU H . . 4.000 3.764 3.491 3.862 . 0 0 "[ . 1 . 2]" 1
87 1 8 LYS HA 1 11 LEU QB . . 4.500 2.674 2.499 2.849 . 0 0 "[ . 1 . 2]" 1
88 1 8 LYS HA 1 11 LEU QD . . 5.000 2.994 2.492 3.549 . 0 0 "[ . 1 . 2]" 1
89 1 9 GLN H 1 9 GLN HA . . 3.000 2.812 2.798 2.821 . 0 0 "[ . 1 . 2]" 1
90 1 9 GLN H 1 9 GLN QB . . 3.000 2.065 2.042 2.129 . 0 0 "[ . 1 . 2]" 1
91 1 9 GLN H 1 9 GLN QG . . 4.500 3.574 3.066 3.855 . 0 0 "[ . 1 . 2]" 1
92 1 9 GLN HA 1 9 GLN QG . . 3.000 2.192 2.013 2.592 . 0 0 "[ . 1 . 2]" 1
93 1 9 GLN H 1 10 ARG H . . 3.000 2.826 2.681 2.887 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLN H 1 11 LEU H . . 4.500 4.123 4.050 4.203 . 0 0 "[ . 1 . 2]" 1
95 1 8 LYS HA 1 9 GLN H . . 4.000 3.540 3.524 3.547 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLN QB 1 10 ARG H . . 4.300 2.324 2.174 2.699 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLN QB 1 10 ARG QD . . 5.500 3.543 2.261 5.715 0.215 20 0 "[ . 1 . 2]" 1
98 1 9 GLN HA 1 11 LEU H . . 4.500 4.558 4.521 4.600 0.100 15 0 "[ . 1 . 2]" 1
99 1 9 GLN QB 1 11 LEU QD . . 6.000 5.900 5.377 6.044 0.044 3 0 "[ . 1 . 2]" 1
100 1 9 GLN HA 1 12 ALA H . . 3.500 3.538 3.501 3.596 0.096 20 0 "[ . 1 . 2]" 1
101 1 9 GLN HA 1 12 ALA MB . . 4.500 2.613 2.451 2.777 . 0 0 "[ . 1 . 2]" 1
102 1 10 ARG H 1 10 ARG HA . . 3.000 2.776 2.759 2.832 . 0 0 "[ . 1 . 2]" 1
103 1 10 ARG H 1 10 ARG QB . . 3.500 2.396 2.231 2.656 . 0 0 "[ . 1 . 2]" 1
104 1 10 ARG H 1 10 ARG QG . . 4.500 2.766 2.084 4.018 . 0 0 "[ . 1 . 2]" 1
105 1 10 ARG HA 1 10 ARG QD . . 4.000 3.579 2.032 4.019 0.019 12 0 "[ . 1 . 2]" 1
106 1 10 ARG HA 1 10 ARG QG . . 3.500 2.406 2.201 3.232 . 0 0 "[ . 1 . 2]" 1
107 1 10 ARG QB 1 10 ARG QD . . 3.500 2.040 1.920 2.479 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLN HA 1 10 ARG H . . 4.000 3.567 3.535 3.571 . 0 0 "[ . 1 . 2]" 1
109 1 10 ARG QB 1 11 LEU H . . 4.300 2.506 2.444 2.593 . 0 0 "[ . 1 . 2]" 1
110 1 10 ARG QB 1 14 ILE MD . . 5.000 2.750 2.199 5.059 0.059 20 0 "[ . 1 . 2]" 1
111 1 10 ARG H 1 38 PHE QE . . 7.000 4.744 4.142 5.600 . 0 0 "[ . 1 . 2]" 1
112 1 10 ARG H 1 38 PHE HZ . . 5.000 4.739 4.288 5.044 0.044 20 0 "[ . 1 . 2]" 1
113 1 10 ARG QG 1 38 PHE QE . . 5.000 4.071 3.146 4.641 . 0 0 "[ . 1 . 2]" 1
114 1 10 ARG QG 1 38 PHE HZ . . 4.500 3.289 2.113 4.421 . 0 0 "[ . 1 . 2]" 1
115 1 10 ARG QD 1 38 PHE QE . . 6.000 3.561 2.478 4.771 . 0 0 "[ . 1 . 2]" 1
116 1 10 ARG QD 1 38 PHE HZ . . 5.000 2.678 1.988 4.170 . 0 0 "[ . 1 . 2]" 1
117 1 10 ARG H 1 11 LEU H . . 3.000 2.801 2.637 2.864 . 0 0 "[ . 1 . 2]" 1
118 1 10 ARG QB 1 11 LEU QD . . 5.000 3.993 2.751 4.894 . 0 0 "[ . 1 . 2]" 1
119 1 10 ARG HA 1 12 ALA H . . 4.500 4.385 4.314 4.468 . 0 0 "[ . 1 . 2]" 1
120 1 10 ARG HA 1 13 ALA H . . 3.500 3.576 3.541 3.602 0.102 14 0 "[ . 1 . 2]" 1
121 1 10 ARG HA 1 13 ALA MB . . 4.500 2.896 2.743 3.113 . 0 0 "[ . 1 . 2]" 1
122 1 11 LEU H 1 11 LEU HA . . 3.000 2.808 2.783 2.831 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU H 1 11 LEU QB . . 3.500 2.148 2.023 2.263 . 0 0 "[ . 1 . 2]" 1
124 1 11 LEU H 1 11 LEU HG . . 5.000 3.780 2.646 4.506 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU HA 1 11 LEU HG . . 3.000 2.601 2.221 2.910 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU HA 1 11 LEU QD . . 4.000 2.531 2.043 3.196 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU H 1 12 ALA H . . 3.000 2.676 2.584 2.778 . 0 0 "[ . 1 . 2]" 1
128 1 10 ARG HA 1 11 LEU H . . 4.000 3.548 3.541 3.553 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU H 1 13 ALA H . . 4.500 4.301 4.218 4.347 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU HA 1 14 ILE HB . . 4.500 2.746 2.676 2.857 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU QB 1 12 ALA H . . 4.300 2.666 2.593 2.778 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU HA 1 14 ILE MD . . 5.000 2.490 1.976 4.766 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU QB 1 14 ILE MD . . 6.000 4.230 3.593 6.109 0.109 20 0 "[ . 1 . 2]" 1
134 1 11 LEU QD 1 12 ALA HA . . 6.000 4.388 2.548 5.179 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU H 1 38 PHE HZ . . 4.500 4.541 4.513 4.575 0.075 9 0 "[ . 1 . 2]" 1
136 1 11 LEU H 1 38 PHE QE . . 7.000 3.474 2.917 4.671 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU HA 1 38 PHE QR . . 6.000 3.955 3.473 4.302 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU QD 1 60 ALA HA . . 6.000 3.101 2.459 4.178 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU QD 1 38 PHE QR . . 5.000 2.262 1.785 3.409 . 0 0 "[ . 1 . 2]" 1
140 1 11 LEU HA 1 13 ALA H . . 4.500 4.529 4.495 4.560 0.060 11 0 "[ . 1 . 2]" 1
141 1 11 LEU HA 1 14 ILE H . . 3.500 3.527 3.503 3.560 0.060 17 0 "[ . 1 . 2]" 1
142 1 11 LEU QD 1 56 LEU QD . . 5.000 2.230 1.703 3.185 . 0 0 "[ . 1 . 2]" 1
143 1 11 LEU QD 1 14 ILE HB . . 5.000 3.943 3.492 4.477 . 0 0 "[ . 1 . 2]" 1
144 1 11 LEU QB 1 56 LEU QD . . 6.000 3.726 3.253 4.484 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU QD 1 63 ILE MD . . 5.000 2.501 1.765 3.511 . 0 0 "[ . 1 . 2]" 1
146 1 12 ALA H 1 12 ALA HA . . 3.000 2.812 2.791 2.838 . 0 0 "[ . 1 . 2]" 1
147 1 12 ALA H 1 12 ALA MB . . 3.500 2.142 2.036 2.235 . 0 0 "[ . 1 . 2]" 1
148 1 12 ALA H 1 14 ILE H . . 4.500 4.141 4.052 4.221 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU HA 1 12 ALA H . . 4.000 3.529 3.512 3.546 . 0 0 "[ . 1 . 2]" 1
150 1 12 ALA MB 1 13 ALA H . . 4.300 2.542 2.434 2.622 . 0 0 "[ . 1 . 2]" 1
151 1 12 ALA H 1 13 ALA H . . 3.000 2.716 2.619 2.773 . 0 0 "[ . 1 . 2]" 1
152 1 12 ALA HA 1 14 ILE H . . 4.500 4.516 4.454 4.563 0.063 6 0 "[ . 1 . 2]" 1
153 1 12 ALA HA 1 15 LYS H . . 3.500 3.598 3.559 3.635 0.135 11 0 "[ . 1 . 2]" 1
154 1 12 ALA HA 1 15 LYS QB . . 4.500 2.885 2.701 2.998 . 0 0 "[ . 1 . 2]" 1
155 1 13 ALA HA 1 14 ILE H . . 4.000 3.540 3.533 3.546 . 0 0 "[ . 1 . 2]" 1
156 1 13 ALA H 1 13 ALA HA . . 3.000 2.819 2.806 2.834 . 0 0 "[ . 1 . 2]" 1
157 1 13 ALA H 1 13 ALA MB . . 3.500 2.105 2.026 2.233 . 0 0 "[ . 1 . 2]" 1
158 1 12 ALA HA 1 13 ALA H . . 4.000 3.551 3.544 3.555 . 0 0 "[ . 1 . 2]" 1
159 1 13 ALA H 1 14 ILE H . . 3.000 2.666 2.609 2.709 . 0 0 "[ . 1 . 2]" 1
160 1 13 ALA H 1 16 THR H . . 5.500 4.761 4.665 4.855 . 0 0 "[ . 1 . 2]" 1
161 1 13 ALA MB 1 14 ILE H . . 4.300 2.620 2.481 2.700 . 0 0 "[ . 1 . 2]" 1
162 1 13 ALA HA 1 16 THR H . . 3.500 3.549 3.515 3.603 0.103 19 0 "[ . 1 . 2]" 1
163 1 13 ALA HA 1 16 THR HB . . 4.500 2.963 2.752 3.343 . 0 0 "[ . 1 . 2]" 1
164 1 14 ILE H 1 14 ILE HA . . 3.000 2.820 2.808 2.834 . 0 0 "[ . 1 . 2]" 1
165 1 14 ILE H 1 14 ILE MD . . 5.000 3.249 3.077 3.540 . 0 0 "[ . 1 . 2]" 1
166 1 14 ILE H 1 14 ILE MG . . 4.000 3.760 3.749 3.765 . 0 0 "[ . 1 . 2]" 1
167 1 14 ILE HA 1 14 ILE HB . . 3.000 3.020 3.017 3.021 0.021 6 0 "[ . 1 . 2]" 1
168 1 14 ILE H 1 14 ILE HB . . 4.000 2.506 2.444 2.551 . 0 0 "[ . 1 . 2]" 1
169 1 14 ILE H 1 14 ILE QG . . 3.500 2.172 2.074 2.286 . 0 0 "[ . 1 . 2]" 1
170 1 14 ILE HA 1 14 ILE QG . . 3.000 2.470 2.367 2.832 . 0 0 "[ . 1 . 2]" 1
171 1 14 ILE MD 1 14 ILE MG . . 4.000 2.345 1.956 2.517 . 0 0 "[ . 1 . 2]" 1
172 1 14 ILE HA 1 17 ARG QB . . 4.500 3.071 2.922 3.241 . 0 0 "[ . 1 . 2]" 1
173 1 14 ILE HA 1 17 ARG QD . . 5.000 3.804 2.751 4.508 . 0 0 "[ . 1 . 2]" 1
174 1 14 ILE HB 1 15 LYS H . . 4.300 2.640 2.578 2.692 . 0 0 "[ . 1 . 2]" 1
175 1 14 ILE MG 1 17 ARG QG . . 6.000 5.825 5.285 6.015 0.015 11 0 "[ . 1 . 2]" 1
176 1 14 ILE MG 1 15 LYS HA . . 5.000 3.518 3.319 3.637 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU HA 1 14 ILE MG . . 6.000 4.079 4.008 4.178 . 0 0 "[ . 1 . 2]" 1
178 1 14 ILE H 1 31 PHE QR . . 7.000 4.699 4.226 5.713 . 0 0 "[ . 1 . 2]" 1
179 1 14 ILE HA 1 31 PHE QR . . 6.000 2.532 2.038 3.461 . 0 0 "[ . 1 . 2]" 1
180 1 14 ILE HB 1 35 ILE MD . . 5.000 2.775 2.501 3.215 . 0 0 "[ . 1 . 2]" 1
181 1 14 ILE MG 1 35 ILE MD . . 4.500 1.995 1.853 2.287 . 0 0 "[ . 1 . 2]" 1
182 1 14 ILE MG 1 31 PHE QR . . 7.000 2.244 1.877 2.486 . 0 0 "[ . 1 . 2]" 1
183 1 14 ILE QG 1 31 PHE QR . . 5.000 3.005 1.879 4.356 . 0 0 "[ . 1 . 2]" 1
184 1 14 ILE MD 1 38 PHE QR . . 7.000 3.599 1.893 5.298 . 0 0 "[ . 1 . 2]" 1
185 1 14 ILE MD 1 34 GLU QB . . 5.000 2.681 2.149 3.123 . 0 0 "[ . 1 . 2]" 1
186 1 14 ILE MD 1 34 GLU QG . . 5.000 3.767 3.279 4.239 . 0 0 "[ . 1 . 2]" 1
187 1 14 ILE MD 1 35 ILE HA . . 6.000 4.049 3.638 5.578 . 0 0 "[ . 1 . 2]" 1
188 1 14 ILE MD 1 35 ILE QG . . 6.000 3.337 2.718 4.003 . 0 0 "[ . 1 . 2]" 1
189 1 14 ILE H 1 15 LYS H . . 3.000 2.651 2.605 2.695 . 0 0 "[ . 1 . 2]" 1
190 1 14 ILE MG 1 15 LYS H . . 5.000 3.462 3.341 3.545 . 0 0 "[ . 1 . 2]" 1
191 1 14 ILE H 1 16 THR H . . 5.500 4.172 4.079 4.277 . 0 0 "[ . 1 . 2]" 1
192 1 14 ILE HA 1 16 THR H . . 4.500 4.528 4.505 4.576 0.076 11 0 "[ . 1 . 2]" 1
193 1 14 ILE QG 1 17 ARG H . . 6.000 5.651 5.569 5.986 . 0 0 "[ . 1 . 2]" 1
194 1 14 ILE HA 1 17 ARG H . . 4.000 3.820 3.753 3.936 . 0 0 "[ . 1 . 2]" 1
195 1 14 ILE QG 1 18 CYS QB . . 6.000 5.384 5.213 5.873 . 0 0 "[ . 1 . 2]" 1
196 1 14 ILE MD 1 35 ILE MD . . 5.000 2.481 2.074 3.886 . 0 0 "[ . 1 . 2]" 1
197 1 15 LYS H 1 15 LYS HA . . 3.000 2.832 2.818 2.840 . 0 0 "[ . 1 . 2]" 1
198 1 15 LYS H 1 15 LYS QB . . 3.000 2.101 2.048 2.222 . 0 0 "[ . 1 . 2]" 1
199 1 15 LYS H 1 15 LYS QD . . 6.000 4.561 3.787 4.859 . 0 0 "[ . 1 . 2]" 1
200 1 15 LYS H 1 15 LYS QG . . 4.500 3.695 3.495 3.947 . 0 0 "[ . 1 . 2]" 1
201 1 15 LYS HA 1 15 LYS QD . . 4.500 3.728 3.429 4.053 . 0 0 "[ . 1 . 2]" 1
202 1 15 LYS HA 1 15 LYS QE . . 5.000 4.388 3.469 4.831 . 0 0 "[ . 1 . 2]" 1
203 1 15 LYS QB 1 15 LYS QE . . 4.000 2.733 2.043 3.698 . 0 0 "[ . 1 . 2]" 1
204 1 15 LYS QB 1 15 LYS QD . . 3.500 2.095 1.943 2.303 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS H 1 16 THR HA . . 6.000 5.239 5.209 5.291 . 0 0 "[ . 1 . 2]" 1
206 1 14 ILE HA 1 15 LYS H . . 4.000 3.533 3.525 3.542 . 0 0 "[ . 1 . 2]" 1
207 1 15 LYS H 1 16 THR H . . 3.000 2.627 2.588 2.688 . 0 0 "[ . 1 . 2]" 1
208 1 15 LYS QB 1 16 THR H . . 4.300 2.596 2.471 2.649 . 0 0 "[ . 1 . 2]" 1
209 1 15 LYS HA 1 18 CYS QB . . 4.500 2.370 2.277 2.815 . 0 0 "[ . 1 . 2]" 1
210 1 15 LYS QB 1 19 GLN QB . . 5.000 4.992 4.924 5.057 0.057 16 0 "[ . 1 . 2]" 1
211 1 15 LYS QG 1 18 CYS QB . . 6.000 3.693 3.599 3.952 . 0 0 "[ . 1 . 2]" 1
212 1 15 LYS QG 1 19 GLN HA . . 6.000 5.668 5.095 6.003 0.003 2 0 "[ . 1 . 2]" 1
213 1 15 LYS HA 1 63 ILE MD . . 7.000 3.454 2.532 4.380 . 0 0 "[ . 1 . 2]" 1
214 1 15 LYS QG 1 16 THR H . . 5.000 4.313 3.852 4.428 . 0 0 "[ . 1 . 2]" 1
215 1 15 LYS QB 1 16 THR MG . . 6.000 4.995 4.823 5.140 . 0 0 "[ . 1 . 2]" 1
216 1 15 LYS H 1 17 ARG H . . 4.500 4.395 4.287 4.514 0.014 12 0 "[ . 1 . 2]" 1
217 1 15 LYS H 1 17 ARG QD . . 6.000 5.615 5.267 5.914 . 0 0 "[ . 1 . 2]" 1
218 1 15 LYS HA 1 18 CYS H . . 3.500 3.547 3.515 3.606 0.106 16 0 "[ . 1 . 2]" 1
219 1 15 LYS QB 1 63 ILE MD . . 7.000 2.938 2.231 3.590 . 0 0 "[ . 1 . 2]" 1
220 1 16 THR H 1 16 THR HA . . 3.000 2.803 2.785 2.814 . 0 0 "[ . 1 . 2]" 1
221 1 16 THR H 1 16 THR HB . . 3.000 2.646 2.527 2.806 . 0 0 "[ . 1 . 2]" 1
222 1 16 THR HA 1 16 THR HB . . 3.000 3.020 3.007 3.025 0.025 14 0 "[ . 1 . 2]" 1
223 1 16 THR H 1 16 THR MG . . 4.500 3.754 3.727 3.766 . 0 0 "[ . 1 . 2]" 1
224 1 16 THR H 1 18 CYS H . . 4.500 3.929 3.872 4.190 . 0 0 "[ . 1 . 2]" 1
225 1 15 LYS HA 1 16 THR H . . 4.000 3.540 3.534 3.548 . 0 0 "[ . 1 . 2]" 1
226 1 16 THR H 1 17 ARG H . . 3.000 2.823 2.748 2.909 . 0 0 "[ . 1 . 2]" 1
227 1 16 THR H 1 17 ARG QB . . 5.000 4.577 4.463 4.876 . 0 0 "[ . 1 . 2]" 1
228 1 16 THR HA 1 19 GLN QG . . 5.000 3.204 2.989 3.467 . 0 0 "[ . 1 . 2]" 1
229 1 16 THR HA 1 19 GLN QB . . 4.500 2.930 2.647 3.013 . 0 0 "[ . 1 . 2]" 1
230 1 16 THR HA 1 17 ARG H . . 4.000 3.568 3.562 3.572 . 0 0 "[ . 1 . 2]" 1
231 1 16 THR HA 1 19 GLN H . . 3.500 3.566 3.525 3.604 0.104 17 0 "[ . 1 . 2]" 1
232 1 16 THR HB 1 17 ARG H . . 4.300 2.305 2.202 2.422 . 0 0 "[ . 1 . 2]" 1
233 1 16 THR MG 1 19 GLN QG . . 5.000 4.685 4.434 4.991 . 0 0 "[ . 1 . 2]" 1
234 1 16 THR MG 1 19 GLN H . . 5.000 4.719 4.644 4.825 . 0 0 "[ . 1 . 2]" 1
235 1 16 THR MG 1 17 ARG QG . . 5.000 4.085 3.297 4.585 . 0 0 "[ . 1 . 2]" 1
236 1 16 THR MG 1 18 CYS QB . . 6.000 5.958 5.889 6.005 0.005 13 0 "[ . 1 . 2]" 1
237 1 16 THR MG 1 19 GLN QB . . 5.000 3.923 3.794 4.105 . 0 0 "[ . 1 . 2]" 1
238 1 16 THR MG 1 17 ARG H . . 5.000 3.363 3.174 3.590 . 0 0 "[ . 1 . 2]" 1
239 1 16 THR HA 1 18 CYS H . . 4.500 4.331 4.191 4.549 0.049 16 0 "[ . 1 . 2]" 1
240 1 17 ARG H 1 17 ARG HA . . 3.000 2.815 2.797 2.827 . 0 0 "[ . 1 . 2]" 1
241 1 17 ARG H 1 17 ARG QG . . 4.500 3.263 1.926 3.712 . 0 0 "[ . 1 . 2]" 1
242 1 17 ARG H 1 17 ARG QB . . 3.500 2.188 2.074 2.561 . 0 0 "[ . 1 . 2]" 1
243 1 17 ARG HA 1 17 ARG QG . . 3.500 2.230 2.054 2.568 . 0 0 "[ . 1 . 2]" 1
244 1 17 ARG QB 1 17 ARG QD . . 3.500 2.125 1.962 2.283 . 0 0 "[ . 1 . 2]" 1
245 1 17 ARG HA 1 20 ALA MB . . 4.500 2.866 2.694 3.290 . 0 0 "[ . 1 . 2]" 1
246 1 17 ARG QB 1 18 CYS H . . 4.300 2.802 2.652 2.868 . 0 0 "[ . 1 . 2]" 1
247 1 17 ARG HA 1 18 CYS H . . 4.000 3.504 3.484 3.545 . 0 0 "[ . 1 . 2]" 1
248 1 17 ARG H 1 31 PHE QR . . 6.000 3.864 3.182 4.830 . 0 0 "[ . 1 . 2]" 1
249 1 17 ARG QG 1 31 PHE QR . . 6.000 3.691 3.430 4.120 . 0 0 "[ . 1 . 2]" 1
250 1 17 ARG H 1 18 CYS H . . 3.000 2.628 2.588 2.739 . 0 0 "[ . 1 . 2]" 1
251 1 17 ARG HA 1 18 CYS QB . . 6.000 5.196 5.175 5.347 . 0 0 "[ . 1 . 2]" 1
252 1 17 ARG QB 1 18 CYS QB . . 5.000 4.030 3.925 4.336 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG H 1 19 GLN H . . 4.500 4.179 4.112 4.286 . 0 0 "[ . 1 . 2]" 1
254 1 17 ARG HA 1 19 GLN H . . 4.500 4.357 4.174 4.508 0.008 16 0 "[ . 1 . 2]" 1
255 1 17 ARG HA 1 20 ALA H . . 3.500 3.512 3.450 3.638 0.138 19 0 "[ . 1 . 2]" 1
256 1 18 CYS H 1 18 CYS HA . . 3.000 2.843 2.825 2.858 . 0 0 "[ . 1 . 2]" 1
257 1 18 CYS H 1 19 GLN HA . . 6.000 5.190 5.160 5.248 . 0 0 "[ . 1 . 2]" 1
258 1 18 CYS H 1 21 LEU H . . 6.000 4.492 4.376 4.674 . 0 0 "[ . 1 . 2]" 1
259 1 18 CYS QB 1 19 GLN H . . 4.300 2.737 2.633 2.889 . 0 0 "[ . 1 . 2]" 1
260 1 18 CYS HA 1 19 GLN H . . 4.000 3.521 3.498 3.537 . 0 0 "[ . 1 . 2]" 1
261 1 18 CYS HA 1 21 LEU QD . . 5.000 3.007 2.444 4.054 . 0 0 "[ . 1 . 2]" 1
262 1 18 CYS HA 1 21 LEU HG . . 6.000 4.032 3.226 4.931 . 0 0 "[ . 1 . 2]" 1
263 1 18 CYS QB 1 19 GLN HA . . 5.000 4.313 3.757 4.570 . 0 0 "[ . 1 . 2]" 1
264 1 18 CYS QB 1 19 GLN QB . . 6.000 4.572 4.416 4.795 . 0 0 "[ . 1 . 2]" 1
265 1 18 CYS QB 1 21 LEU QD . . 6.000 4.156 3.823 4.954 . 0 0 "[ . 1 . 2]" 1
266 1 18 CYS H 1 31 PHE QE . . 5.000 3.141 2.296 4.343 . 0 0 "[ . 1 . 2]" 1
267 1 18 CYS H 1 31 PHE HZ . . 4.500 4.573 4.546 4.622 0.122 11 0 "[ . 1 . 2]" 1
268 1 18 CYS QB 1 31 PHE QR . . 5.000 2.479 1.925 4.275 . 0 0 "[ . 1 . 2]" 1
269 1 18 CYS H 1 19 GLN H . . 3.000 2.557 2.527 2.636 . 0 0 "[ . 1 . 2]" 1
270 1 18 CYS HA 1 21 LEU QB . . 5.000 5.085 5.004 5.138 0.138 12 0 "[ . 1 . 2]" 1
271 1 19 GLN H 1 19 GLN HA . . 3.000 2.848 2.813 2.865 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLN H 1 19 GLN QG . . 3.000 2.465 2.383 2.514 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLN H 1 19 GLN QB . . 3.000 2.390 2.376 2.419 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLN HA 1 19 GLN QG . . 3.000 2.475 2.411 2.532 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLN H 1 21 LEU H . . 4.500 3.818 3.703 3.955 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLN QB 1 20 ALA H . . 4.300 2.598 2.509 2.769 . 0 0 "[ . 1 . 2]" 1
277 1 19 GLN H 1 20 ALA H . . 3.000 2.554 2.503 2.669 . 0 0 "[ . 1 . 2]" 1
278 1 19 GLN QB 1 20 ALA HA . . 5.000 3.926 3.894 3.976 . 0 0 "[ . 1 . 2]" 1
279 1 19 GLN HA 1 21 LEU H . . 4.500 4.311 4.095 4.388 . 0 0 "[ . 1 . 2]" 1
280 1 20 ALA H 1 20 ALA HA . . 3.000 2.876 2.856 2.909 . 0 0 "[ . 1 . 2]" 1
281 1 20 ALA H 1 20 ALA MB . . 3.500 2.175 2.078 2.286 . 0 0 "[ . 1 . 2]" 1
282 1 19 GLN HA 1 20 ALA H . . 4.000 3.528 3.495 3.543 . 0 0 "[ . 1 . 2]" 1
283 1 20 ALA H 1 21 LEU HA . . 6.000 4.679 4.550 4.755 . 0 0 "[ . 1 . 2]" 1
284 1 20 ALA MB 1 21 LEU H . . 4.300 2.844 2.752 3.158 . 0 0 "[ . 1 . 2]" 1
285 1 20 ALA H 1 21 LEU H . . 3.000 2.414 2.305 2.488 . 0 0 "[ . 1 . 2]" 1
286 1 20 ALA MB 1 22 GLY QA . . 6.000 3.435 3.167 3.893 . 0 0 "[ . 1 . 2]" 1
287 1 21 LEU H 1 21 LEU HA . . 3.000 2.277 2.273 2.279 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU H 1 21 LEU QB . . 3.500 3.267 3.211 3.402 . 0 0 "[ . 1 . 2]" 1
289 1 21 LEU HA 1 21 LEU HG . . 3.000 2.919 2.359 3.100 0.100 19 0 "[ . 1 . 2]" 1
290 1 21 LEU H 1 21 LEU HG . . 5.000 2.870 2.490 3.009 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU HA 1 21 LEU QD . . 4.000 2.272 1.946 3.105 . 0 0 "[ . 1 . 2]" 1
292 1 21 LEU H 1 22 GLY H . . 3.000 2.864 2.637 3.194 0.194 12 0 "[ . 1 . 2]" 1
293 1 20 ALA HA 1 21 LEU H . . 4.000 3.481 3.375 3.494 . 0 0 "[ . 1 . 2]" 1
294 1 21 LEU HA 1 22 GLY H . . 4.000 2.808 2.369 3.133 . 0 0 "[ . 1 . 2]" 1
295 1 18 CYS QB 1 21 LEU HA . . 5.500 5.497 5.067 5.567 0.067 10 0 "[ . 1 . 2]" 1
296 1 21 LEU QB 1 70 TYR QD . . 5.000 4.839 4.520 5.066 0.066 16 0 "[ . 1 . 2]" 1
297 1 21 LEU QD 1 70 TYR QB . . 5.000 2.300 1.994 2.821 . 0 0 "[ . 1 . 2]" 1
298 1 21 LEU QD 1 70 TYR QD . . 4.000 2.134 1.895 2.602 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU QD 1 72 HIS QB . . 7.000 7.054 7.027 7.095 0.095 19 0 "[ . 1 . 2]" 1
300 1 21 LEU QB 1 22 GLY H . . 4.300 3.770 3.583 3.880 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU QD 1 22 GLY H . . 5.000 4.290 3.917 4.557 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU HA 1 23 GLY H . . 4.500 3.445 3.120 4.386 . 0 0 "[ . 1 . 2]" 1
303 1 22 GLY H 1 23 GLY H . . 3.000 2.545 1.881 2.899 . 0 0 "[ . 1 . 2]" 1
304 1 22 GLY H 1 23 GLY QA . . 5.000 4.310 3.832 4.714 . 0 0 "[ . 1 . 2]" 1
305 1 22 GLY QA 1 24 SER HA . . 6.500 5.542 4.901 6.510 0.010 17 0 "[ . 1 . 2]" 1
306 1 22 GLY QA 1 23 GLY H . . 4.000 2.851 2.751 2.916 . 0 0 "[ . 1 . 2]" 1
307 1 23 GLY H 1 24 SER H . . 4.000 2.747 2.059 3.412 . 0 0 "[ . 1 . 2]" 1
308 1 23 GLY QA 1 24 SER QB . . 5.000 3.941 3.510 4.636 . 0 0 "[ . 1 . 2]" 1
309 1 24 SER H 1 24 SER HA . . 3.000 2.843 2.789 2.949 . 0 0 "[ . 1 . 2]" 1
310 1 24 SER H 1 24 SER QB . . 3.500 2.883 2.423 3.099 . 0 0 "[ . 1 . 2]" 1
311 1 24 SER H 1 27 GLU QB . . 5.000 3.011 2.277 3.715 . 0 0 "[ . 1 . 2]" 1
312 1 24 SER H 1 27 GLU QG . . 5.000 4.083 2.688 4.949 . 0 0 "[ . 1 . 2]" 1
313 1 24 SER H 1 26 ALA H . . 5.000 5.055 4.993 5.087 0.087 14 0 "[ . 1 . 2]" 1
314 1 24 SER H 1 28 CYS H . . 6.000 4.403 3.914 5.007 . 0 0 "[ . 1 . 2]" 1
315 1 23 GLY QA 1 24 SER H . . 4.000 2.530 2.267 2.812 . 0 0 "[ . 1 . 2]" 1
316 1 24 SER H 1 25 GLU HA . . 5.000 4.646 4.401 4.983 . 0 0 "[ . 1 . 2]" 1
317 1 24 SER HA 1 27 GLU QB . . 4.500 4.132 3.789 4.535 0.035 12 0 "[ . 1 . 2]" 1
318 1 24 SER QB 1 27 GLU QB . . 5.000 1.965 1.913 2.039 . 0 0 "[ . 1 . 2]" 1
319 1 24 SER QB 1 25 GLU QG . . 4.000 3.879 3.311 4.130 0.130 12 0 "[ . 1 . 2]" 1
320 1 24 SER QB 1 25 GLU HA . . 5.000 4.671 4.509 4.940 . 0 0 "[ . 1 . 2]" 1
321 1 24 SER QB 1 28 CYS HA . . 6.000 6.080 5.733 6.198 0.198 10 0 "[ . 1 . 2]" 1
322 1 24 SER QB 1 25 GLU H . . 4.300 3.256 2.636 3.480 . 0 0 "[ . 1 . 2]" 1
323 1 24 SER HA 1 25 GLU HA . . 5.000 4.349 4.300 4.399 . 0 0 "[ . 1 . 2]" 1
324 1 24 SER H 1 27 GLU H . . 5.500 4.353 3.971 4.842 . 0 0 "[ . 1 . 2]" 1
325 1 24 SER HA 1 27 GLU H . . 5.000 4.259 4.088 4.522 . 0 0 "[ . 1 . 2]" 1
326 1 24 SER QB 1 27 GLU QG . . 5.000 2.262 1.942 3.655 . 0 0 "[ . 1 . 2]" 1
327 1 25 GLU H 1 25 GLU HA . . 3.000 2.776 2.749 2.826 . 0 0 "[ . 1 . 2]" 1
328 1 25 GLU H 1 25 GLU QG . . 3.500 2.084 1.913 2.302 . 0 0 "[ . 1 . 2]" 1
329 1 25 GLU HA 1 25 GLU QG . . 3.500 3.298 2.541 3.412 . 0 0 "[ . 1 . 2]" 1
330 1 24 SER HA 1 25 GLU H . . 4.000 2.185 2.139 2.307 . 0 0 "[ . 1 . 2]" 1
331 1 25 GLU HA 1 28 CYS QB . . 4.500 4.019 3.201 4.467 . 0 0 "[ . 1 . 2]" 1
332 1 25 GLU QG 1 26 ALA H . . 5.000 2.273 1.941 3.799 . 0 0 "[ . 1 . 2]" 1
333 1 25 GLU H 1 26 ALA MB . . 5.000 4.383 4.173 4.557 . 0 0 "[ . 1 . 2]" 1
334 1 25 GLU HA 1 28 CYS H . . 5.000 4.059 3.830 4.128 . 0 0 "[ . 1 . 2]" 1
335 1 26 ALA H 1 26 ALA HA . . 3.000 2.897 2.890 2.900 . 0 0 "[ . 1 . 2]" 1
336 1 25 GLU HA 1 26 ALA H . . 4.000 3.475 3.419 3.520 . 0 0 "[ . 1 . 2]" 1
337 1 26 ALA H 1 26 ALA MB . . 3.500 2.190 2.101 2.294 . 0 0 "[ . 1 . 2]" 1
338 1 26 ALA H 1 27 GLU H . . 3.000 2.373 2.325 2.481 . 0 0 "[ . 1 . 2]" 1
339 1 26 ALA HA 1 29 ALA H . . 3.500 3.532 3.462 3.583 0.083 16 0 "[ . 1 . 2]" 1
340 1 26 ALA HA 1 29 ALA MB . . 4.500 3.235 2.490 3.570 . 0 0 "[ . 1 . 2]" 1
341 1 26 ALA MB 1 27 GLU H . . 4.300 2.656 2.456 2.815 . 0 0 "[ . 1 . 2]" 1
342 1 26 ALA H 1 27 GLU QG . . 5.000 4.660 4.203 5.140 0.140 12 0 "[ . 1 . 2]" 1
343 1 26 ALA HA 1 28 CYS H . . 4.500 4.113 3.812 4.591 0.091 7 0 "[ . 1 . 2]" 1
344 1 27 GLU H 1 27 GLU QB . . 3.500 2.187 2.040 2.420 . 0 0 "[ . 1 . 2]" 1
345 1 27 GLU H 1 27 GLU QG . . 3.500 2.835 2.256 3.420 . 0 0 "[ . 1 . 2]" 1
346 1 27 GLU HA 1 27 GLU QG . . 3.500 2.476 2.148 3.111 . 0 0 "[ . 1 . 2]" 1
347 1 27 GLU H 1 29 ALA MB . . 6.000 5.089 4.767 5.221 . 0 0 "[ . 1 . 2]" 1
348 1 26 ALA HA 1 27 GLU H . . 4.000 3.529 3.504 3.562 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLU QB 1 28 CYS H . . 4.300 2.767 2.389 3.242 . 0 0 "[ . 1 . 2]" 1
350 1 27 GLU QB 1 31 PHE QD . . 6.000 4.000 3.234 4.785 . 0 0 "[ . 1 . 2]" 1
351 1 27 GLU QB 1 31 PHE QE . . 6.000 3.453 2.326 4.810 . 0 0 "[ . 1 . 2]" 1
352 1 27 GLU QG 1 31 PHE QD . . 6.000 4.970 2.630 5.652 . 0 0 "[ . 1 . 2]" 1
353 1 27 GLU QG 1 31 PHE QE . . 6.000 4.332 2.542 5.468 . 0 0 "[ . 1 . 2]" 1
354 1 27 GLU H 1 28 CYS H . . 3.000 2.822 2.757 2.927 . 0 0 "[ . 1 . 2]" 1
355 1 27 GLU QG 1 28 CYS H . . 5.000 4.072 2.255 4.554 . 0 0 "[ . 1 . 2]" 1
356 1 27 GLU QB 1 28 CYS QB . . 5.000 4.708 4.413 5.170 0.170 10 0 "[ . 1 . 2]" 1
357 1 27 GLU H 1 29 ALA H . . 4.500 4.465 4.204 4.577 0.077 5 0 "[ . 1 . 2]" 1
358 1 27 GLU HA 1 29 ALA H . . 4.500 4.306 4.196 4.518 0.018 6 0 "[ . 1 . 2]" 1
359 1 27 GLU H 1 30 ALA H . . 5.500 5.176 4.766 5.382 . 0 0 "[ . 1 . 2]" 1
360 1 27 GLU HA 1 30 ALA H . . 3.500 3.476 3.329 3.648 0.148 12 0 "[ . 1 . 2]" 1
361 1 27 GLU HA 1 30 ALA MB . . 4.500 2.886 2.664 3.098 . 0 0 "[ . 1 . 2]" 1
362 1 27 GLU HA 1 31 PHE H . . 4.500 4.392 4.273 4.475 . 0 0 "[ . 1 . 2]" 1
363 1 27 GLU QB 1 31 PHE QB . . 6.000 4.877 4.466 5.438 . 0 0 "[ . 1 . 2]" 1
364 1 28 CYS H 1 28 CYS HA . . 3.000 2.760 2.746 2.796 . 0 0 "[ . 1 . 2]" 1
365 1 28 CYS H 1 28 CYS QB . . 3.500 2.584 2.438 2.614 . 0 0 "[ . 1 . 2]" 1
366 1 27 GLU HA 1 28 CYS H . . 4.000 3.522 3.496 3.562 . 0 0 "[ . 1 . 2]" 1
367 1 28 CYS H 1 29 ALA H . . 3.000 2.839 2.711 2.904 . 0 0 "[ . 1 . 2]" 1
368 1 28 CYS H 1 29 ALA MB . . 5.000 4.428 4.349 4.501 . 0 0 "[ . 1 . 2]" 1
369 1 28 CYS HA 1 31 PHE QR . . 4.000 3.068 1.972 4.005 0.005 2 0 "[ . 1 . 2]" 1
370 1 28 CYS HA 1 31 PHE QB . . 4.500 2.637 2.362 3.042 . 0 0 "[ . 1 . 2]" 1
371 1 28 CYS QB 1 31 PHE QR . . 6.000 4.580 3.718 5.206 . 0 0 "[ . 1 . 2]" 1
372 1 28 CYS QB 1 29 ALA H . . 4.300 2.474 2.377 2.576 . 0 0 "[ . 1 . 2]" 1
373 1 28 CYS H 1 30 ALA H . . 4.500 4.491 4.294 4.582 0.082 8 0 "[ . 1 . 2]" 1
374 1 28 CYS HA 1 30 ALA H . . 5.000 4.688 4.544 4.773 . 0 0 "[ . 1 . 2]" 1
375 1 28 CYS HA 1 31 PHE H . . 4.000 3.531 3.447 3.628 . 0 0 "[ . 1 . 2]" 1
376 1 28 CYS QB 1 71 ARG QD . . 4.000 3.581 2.826 4.009 0.009 16 0 "[ . 1 . 2]" 1
377 1 18 CYS HA 1 28 CYS QB . . 5.500 5.628 5.554 5.717 0.217 12 0 "[ . 1 . 2]" 1
378 1 29 ALA H 1 29 ALA MB . . 3.500 2.126 2.026 2.234 . 0 0 "[ . 1 . 2]" 1
379 1 29 ALA H 1 30 ALA H . . 3.000 2.843 2.734 2.909 . 0 0 "[ . 1 . 2]" 1
380 1 29 ALA H 1 31 PHE H . . 4.500 4.085 3.979 4.266 . 0 0 "[ . 1 . 2]" 1
381 1 29 ALA HA 1 32 GLU QB . . 4.500 2.960 2.668 3.224 . 0 0 "[ . 1 . 2]" 1
382 1 29 ALA MB 1 30 ALA H . . 4.300 2.387 2.259 2.622 . 0 0 "[ . 1 . 2]" 1
383 1 29 ALA HA 1 32 GLU H . . 3.500 3.558 3.481 3.620 0.120 10 0 "[ . 1 . 2]" 1
384 1 29 ALA H 1 32 GLU H . . 5.500 4.888 4.841 4.938 . 0 0 "[ . 1 . 2]" 1
385 1 29 ALA HA 1 33 LYS QD . . 5.000 4.304 3.620 4.877 . 0 0 "[ . 1 . 2]" 1
386 1 28 CYS HA 1 29 ALA H . . 4.000 3.546 3.531 3.557 . 0 0 "[ . 1 . 2]" 1
387 1 29 ALA H 1 29 ALA HA . . 3.000 2.787 2.770 2.807 . 0 0 "[ . 1 . 2]" 1
388 1 30 ALA H 1 30 ALA MB . . 3.500 2.102 2.023 2.233 . 0 0 "[ . 1 . 2]" 1
389 1 30 ALA H 1 31 PHE QB . . 5.000 4.606 4.426 4.872 . 0 0 "[ . 1 . 2]" 1
390 1 30 ALA H 1 32 GLU H . . 4.500 4.467 4.349 4.521 0.021 10 0 "[ . 1 . 2]" 1
391 1 30 ALA MB 1 31 PHE H . . 4.300 2.703 2.589 2.792 . 0 0 "[ . 1 . 2]" 1
392 1 30 ALA HA 1 33 LYS QB . . 4.500 2.817 2.559 3.033 . 0 0 "[ . 1 . 2]" 1
393 1 30 ALA H 1 31 PHE H . . 3.000 2.739 2.708 2.799 . 0 0 "[ . 1 . 2]" 1
394 1 30 ALA HA 1 31 PHE QB . . 6.000 5.350 5.244 5.521 . 0 0 "[ . 1 . 2]" 1
395 1 30 ALA MB 1 31 PHE QB . . 5.000 4.265 4.134 4.442 . 0 0 "[ . 1 . 2]" 1
396 1 30 ALA MB 1 32 GLU H . . 5.000 4.748 4.626 4.788 . 0 0 "[ . 1 . 2]" 1
397 1 30 ALA HA 1 33 LYS H . . 4.000 3.685 3.590 3.789 . 0 0 "[ . 1 . 2]" 1
398 1 29 ALA HA 1 30 ALA H . . 4.000 3.564 3.550 3.569 . 0 0 "[ . 1 . 2]" 1
399 1 30 ALA H 1 30 ALA HA . . 3.000 2.780 2.771 2.795 . 0 0 "[ . 1 . 2]" 1
400 1 31 PHE H 1 31 PHE QB . . 3.500 2.254 2.085 2.553 . 0 0 "[ . 1 . 2]" 1
401 1 31 PHE H 1 31 PHE QD . . 5.500 2.936 2.258 3.373 . 0 0 "[ . 1 . 2]" 1
402 1 31 PHE H 1 31 PHE QE . . 6.500 4.784 4.290 5.117 . 0 0 "[ . 1 . 2]" 1
403 1 31 PHE HA 1 31 PHE QD . . 3.500 2.170 1.938 2.832 . 0 0 "[ . 1 . 2]" 1
404 1 31 PHE QB 1 32 GLU QB . . 6.000 3.946 3.796 4.442 . 0 0 "[ . 1 . 2]" 1
405 1 31 PHE QB 1 32 GLU H . . 4.300 2.480 2.377 2.556 . 0 0 "[ . 1 . 2]" 1
406 1 31 PHE H 1 32 GLU H . . 3.000 2.719 2.679 2.745 . 0 0 "[ . 1 . 2]" 1
407 1 31 PHE QD 1 32 GLU H . . 5.000 4.383 4.195 4.492 . 0 0 "[ . 1 . 2]" 1
408 1 31 PHE QB 1 33 LYS QB . . 6.000 5.764 5.666 5.896 . 0 0 "[ . 1 . 2]" 1
409 1 31 PHE HA 1 34 GLU QB . . 4.500 2.733 2.490 2.923 . 0 0 "[ . 1 . 2]" 1
410 1 31 PHE HA 1 34 GLU H . . 4.000 3.715 3.628 3.814 . 0 0 "[ . 1 . 2]" 1
411 1 31 PHE QR 1 63 ILE HA . . 7.000 6.696 6.187 7.189 0.189 14 0 "[ . 1 . 2]" 1
412 1 31 PHE QR 1 63 ILE MG . . 6.000 3.892 3.467 4.470 . 0 0 "[ . 1 . 2]" 1
413 1 31 PHE QR 1 63 ILE MD . . 7.000 5.416 4.700 6.165 . 0 0 "[ . 1 . 2]" 1
414 1 31 PHE QR 1 67 CYS QB . . 5.500 5.290 4.471 5.590 0.090 14 0 "[ . 1 . 2]" 1
415 1 30 ALA HA 1 31 PHE H . . 4.000 3.519 3.505 3.542 . 0 0 "[ . 1 . 2]" 1
416 1 31 PHE H 1 31 PHE HA . . 3.000 2.821 2.810 2.835 . 0 0 "[ . 1 . 2]" 1
417 1 32 GLU H 1 32 GLU QG . . 4.000 3.565 2.186 4.007 0.007 13 0 "[ . 1 . 2]" 1
418 1 32 GLU H 1 32 GLU QB . . 3.500 2.191 2.057 2.538 . 0 0 "[ . 1 . 2]" 1
419 1 32 GLU HA 1 32 GLU QG . . 3.500 2.339 2.009 3.144 . 0 0 "[ . 1 . 2]" 1
420 1 32 GLU H 1 33 LYS H . . 3.000 2.805 2.743 2.865 . 0 0 "[ . 1 . 2]" 1
421 1 32 GLU HA 1 34 GLU QB . . 6.000 5.336 5.147 5.601 . 0 0 "[ . 1 . 2]" 1
422 1 32 GLU QB 1 33 LYS H . . 4.300 2.477 2.316 2.679 . 0 0 "[ . 1 . 2]" 1
423 1 32 GLU H 1 34 GLU H . . 4.500 4.433 4.318 4.539 0.039 19 0 "[ . 1 . 2]" 1
424 1 32 GLU HA 1 35 ILE H . . 4.000 3.833 3.666 4.032 0.032 7 0 "[ . 1 . 2]" 1
425 1 32 GLU HA 1 35 ILE HB . . 4.500 2.975 2.864 3.088 . 0 0 "[ . 1 . 2]" 1
426 1 31 PHE HA 1 32 GLU H . . 4.000 3.558 3.551 3.562 . 0 0 "[ . 1 . 2]" 1
427 1 32 GLU H 1 32 GLU HA . . 3.000 2.781 2.758 2.798 . 0 0 "[ . 1 . 2]" 1
428 1 33 LYS H 1 33 LYS QB . . 3.000 2.093 2.039 2.352 . 0 0 "[ . 1 . 2]" 1
429 1 33 LYS H 1 33 LYS QD . . 6.000 3.020 2.327 3.733 . 0 0 "[ . 1 . 2]" 1
430 1 33 LYS H 1 33 LYS QG . . 4.500 3.495 2.541 3.888 . 0 0 "[ . 1 . 2]" 1
431 1 33 LYS QB 1 33 LYS QD . . 3.500 2.089 1.952 2.313 . 0 0 "[ . 1 . 2]" 1
432 1 33 LYS QB 1 33 LYS QE . . 4.000 3.252 2.329 3.768 . 0 0 "[ . 1 . 2]" 1
433 1 33 LYS QE 1 33 LYS QG . . 3.500 2.126 1.965 2.257 . 0 0 "[ . 1 . 2]" 1
434 1 33 LYS HA 1 33 LYS QG . . 3.500 2.142 2.005 2.361 . 0 0 "[ . 1 . 2]" 1
435 1 33 LYS HA 1 33 LYS QD . . 4.500 3.287 2.373 3.981 . 0 0 "[ . 1 . 2]" 1
436 1 33 LYS H 1 34 GLU QB . . 5.000 4.446 4.357 4.587 . 0 0 "[ . 1 . 2]" 1
437 1 33 LYS QB 1 34 GLU HA . . 5.000 3.692 3.639 3.813 . 0 0 "[ . 1 . 2]" 1
438 1 33 LYS HA 1 36 ALA MB . . 4.500 2.603 2.373 2.751 . 0 0 "[ . 1 . 2]" 1
439 1 33 LYS QB 1 34 GLU H . . 4.300 2.456 2.348 2.572 . 0 0 "[ . 1 . 2]" 1
440 1 33 LYS H 1 34 GLU H . . 3.000 2.791 2.751 2.821 . 0 0 "[ . 1 . 2]" 1
441 1 33 LYS HA 1 35 ILE H . . 4.500 4.559 4.529 4.591 0.091 7 0 "[ . 1 . 2]" 1
442 1 33 LYS HA 1 36 ALA H . . 3.500 3.506 3.474 3.525 0.025 9 0 "[ . 1 . 2]" 1
443 1 32 GLU HA 1 33 LYS H . . 4.000 3.551 3.539 3.561 . 0 0 "[ . 1 . 2]" 1
444 1 33 LYS H 1 33 LYS HA . . 3.000 2.812 2.791 2.839 . 0 0 "[ . 1 . 2]" 1
445 1 34 GLU HA 1 37 ALA MB . . 4.500 3.050 2.912 3.330 . 0 0 "[ . 1 . 2]" 1
446 1 34 GLU H 1 34 GLU QB . . 3.500 2.146 2.042 2.433 . 0 0 "[ . 1 . 2]" 1
447 1 34 GLU QB 1 35 ILE H . . 4.300 2.515 2.434 2.578 . 0 0 "[ . 1 . 2]" 1
448 1 34 GLU H 1 34 GLU QG . . 3.500 3.096 2.220 3.493 . 0 0 "[ . 1 . 2]" 1
449 1 34 GLU HA 1 34 GLU QG . . 3.500 2.294 2.042 2.653 . 0 0 "[ . 1 . 2]" 1
450 1 34 GLU H 1 35 ILE H . . 3.000 2.870 2.825 2.901 . 0 0 "[ . 1 . 2]" 1
451 1 34 GLU QB 1 35 ILE MG . . 5.000 5.052 5.025 5.079 0.079 11 0 "[ . 1 . 2]" 1
452 1 34 GLU QB 1 35 ILE MD . . 6.000 3.698 3.525 3.932 . 0 0 "[ . 1 . 2]" 1
453 1 34 GLU H 1 36 ALA H . . 4.500 4.274 4.221 4.299 . 0 0 "[ . 1 . 2]" 1
454 1 34 GLU HA 1 36 ALA H . . 4.500 4.537 4.519 4.553 0.053 5 0 "[ . 1 . 2]" 1
455 1 34 GLU HA 1 37 ALA H . . 4.000 3.704 3.652 3.787 . 0 0 "[ . 1 . 2]" 1
456 1 33 LYS HA 1 34 GLU H . . 4.000 3.566 3.557 3.571 . 0 0 "[ . 1 . 2]" 1
457 1 34 GLU H 1 34 GLU HA . . 3.000 2.760 2.751 2.774 . 0 0 "[ . 1 . 2]" 1
458 1 35 ILE H 1 35 ILE QG . . 3.500 2.207 2.098 2.309 . 0 0 "[ . 1 . 2]" 1
459 1 35 ILE HA 1 35 ILE MD . . 4.000 2.008 1.961 2.056 . 0 0 "[ . 1 . 2]" 1
460 1 35 ILE HA 1 35 ILE QG . . 3.500 2.791 2.730 2.833 . 0 0 "[ . 1 . 2]" 1
461 1 35 ILE HA 1 35 ILE HB . . 3.000 3.017 3.014 3.020 0.020 14 0 "[ . 1 . 2]" 1
462 1 35 ILE H 1 35 ILE HB . . 4.000 2.466 2.417 2.519 . 0 0 "[ . 1 . 2]" 1
463 1 35 ILE H 1 35 ILE MG . . 4.000 3.752 3.741 3.761 . 0 0 "[ . 1 . 2]" 1
464 1 35 ILE MD 1 35 ILE MG . . 4.000 2.029 1.930 2.070 . 0 0 "[ . 1 . 2]" 1
465 1 35 ILE H 1 37 ALA H . . 4.500 4.368 4.346 4.430 . 0 0 "[ . 1 . 2]" 1
466 1 35 ILE H 1 38 PHE H . . 5.500 4.696 4.640 4.758 . 0 0 "[ . 1 . 2]" 1
467 1 35 ILE HB 1 36 ALA H . . 4.300 2.578 2.532 2.642 . 0 0 "[ . 1 . 2]" 1
468 1 31 PHE QR 1 35 ILE MG . . 6.000 6.146 6.071 6.194 0.194 6 0 "[ . 1 . 2]" 1
469 1 35 ILE QG 1 38 PHE QR . . 5.500 5.198 4.198 5.390 . 0 0 "[ . 1 . 2]" 1
470 1 35 ILE MD 1 38 PHE QR . . 5.000 3.705 3.019 4.062 . 0 0 "[ . 1 . 2]" 1
471 1 35 ILE HA 1 38 PHE QD . . 4.000 3.924 2.685 4.097 0.097 20 0 "[ . 1 . 2]" 1
472 1 35 ILE MG 1 64 ARG QB . . 5.000 2.538 1.954 3.202 . 0 0 "[ . 1 . 2]" 1
473 1 35 ILE QG 1 64 ARG QB . . 5.000 4.404 3.978 4.751 . 0 0 "[ . 1 . 2]" 1
474 1 35 ILE MD 1 60 ALA HA . . 5.000 2.718 2.055 3.569 . 0 0 "[ . 1 . 2]" 1
475 1 35 ILE MD 1 63 ILE HB . . 4.500 2.719 2.130 3.461 . 0 0 "[ . 1 . 2]" 1
476 1 35 ILE MD 1 63 ILE MG . . 4.000 2.417 1.918 3.183 . 0 0 "[ . 1 . 2]" 1
477 1 35 ILE MD 1 64 ARG H . . 6.000 4.567 3.843 5.256 . 0 0 "[ . 1 . 2]" 1
478 1 35 ILE H 1 36 ALA H . . 3.000 2.731 2.672 2.760 . 0 0 "[ . 1 . 2]" 1
479 1 35 ILE MG 1 36 ALA H . . 5.000 3.282 3.196 3.351 . 0 0 "[ . 1 . 2]" 1
480 1 35 ILE HA 1 37 ALA H . . 4.500 4.539 4.510 4.574 0.074 4 0 "[ . 1 . 2]" 1
481 1 35 ILE HA 1 38 PHE H . . 3.500 3.362 3.314 3.395 . 0 0 "[ . 1 . 2]" 1
482 1 35 ILE HA 1 38 PHE QB . . 4.500 2.243 2.139 2.322 . 0 0 "[ . 1 . 2]" 1
483 1 35 ILE HB 1 38 PHE QB . . 6.000 4.883 4.823 4.973 . 0 0 "[ . 1 . 2]" 1
484 1 35 ILE MD 1 38 PHE QB . . 6.000 3.250 3.106 3.350 . 0 0 "[ . 1 . 2]" 1
485 1 35 ILE HB 1 63 ILE QG . . 7.000 6.160 5.845 6.402 . 0 0 "[ . 1 . 2]" 1
486 1 35 ILE HB 1 63 ILE MD . . 7.000 4.860 4.389 5.324 . 0 0 "[ . 1 . 2]" 1
487 1 35 ILE MD 1 63 ILE MD . . 5.000 1.885 1.702 2.349 . 0 0 "[ . 1 . 2]" 1
488 1 35 ILE QG 1 63 ILE MD . . 6.000 3.132 2.613 3.719 . 0 0 "[ . 1 . 2]" 1
489 1 35 ILE MD 1 64 ARG HA . . 6.000 5.400 4.711 6.006 0.006 15 0 "[ . 1 . 2]" 1
490 1 35 ILE MD 1 64 ARG QB . . 6.000 4.869 4.267 5.352 . 0 0 "[ . 1 . 2]" 1
491 1 34 GLU HA 1 35 ILE H . . 4.000 3.554 3.551 3.557 . 0 0 "[ . 1 . 2]" 1
492 1 35 ILE H 1 35 ILE HA . . 3.000 2.801 2.795 2.816 . 0 0 "[ . 1 . 2]" 1
493 1 36 ALA H 1 36 ALA MB . . 3.500 2.134 2.030 2.233 . 0 0 "[ . 1 . 2]" 1
494 1 36 ALA H 1 38 PHE QB . . 6.000 4.608 4.556 4.691 . 0 0 "[ . 1 . 2]" 1
495 1 36 ALA MB 1 37 ALA H . . 4.300 2.460 2.359 2.574 . 0 0 "[ . 1 . 2]" 1
496 1 36 ALA H 1 37 ALA H . . 3.000 2.834 2.817 2.883 . 0 0 "[ . 1 . 2]" 1
497 1 36 ALA H 1 38 PHE H . . 4.500 4.033 3.972 4.140 . 0 0 "[ . 1 . 2]" 1
498 1 36 ALA HA 1 38 PHE H . . 4.500 4.355 4.266 4.495 . 0 0 "[ . 1 . 2]" 1
499 1 36 ALA HA 1 39 GLU H . . 4.000 3.882 3.846 3.977 . 0 0 "[ . 1 . 2]" 1
500 1 36 ALA HA 1 39 GLU QB . . 4.500 4.317 4.245 4.391 . 0 0 "[ . 1 . 2]" 1
501 1 36 ALA HA 1 39 GLU QG . . 5.000 2.383 2.313 2.549 . 0 0 "[ . 1 . 2]" 1
502 1 36 ALA MB 1 39 GLU QG . . 5.000 3.715 3.640 3.837 . 0 0 "[ . 1 . 2]" 1
503 1 35 ILE HA 1 36 ALA H . . 4.000 3.546 3.539 3.550 . 0 0 "[ . 1 . 2]" 1
504 1 36 ALA H 1 36 ALA HA . . 3.000 2.777 2.767 2.782 . 0 0 "[ . 1 . 2]" 1
505 1 37 ALA H 1 37 ALA MB . . 3.500 2.155 2.033 2.241 . 0 0 "[ . 1 . 2]" 1
506 1 37 ALA MB 1 38 PHE H . . 4.300 2.740 2.570 2.841 . 0 0 "[ . 1 . 2]" 1
507 1 37 ALA H 1 38 PHE QR . . 6.000 4.924 4.656 5.441 . 0 0 "[ . 1 . 2]" 1
508 1 37 ALA H 1 39 GLU H . . 4.500 4.535 4.520 4.551 0.051 13 0 "[ . 1 . 2]" 1
509 1 37 ALA HA 1 40 SER QB . . 4.500 2.462 2.253 3.079 . 0 0 "[ . 1 . 2]" 1
510 1 37 ALA HA 1 40 SER H . . 3.500 3.494 3.474 3.513 0.013 15 0 "[ . 1 . 2]" 1
511 1 37 ALA H 1 38 PHE H . . 3.000 2.587 2.532 2.634 . 0 0 "[ . 1 . 2]" 1
512 1 37 ALA HA 1 38 PHE QB . . 6.000 5.211 5.187 5.245 . 0 0 "[ . 1 . 2]" 1
513 1 37 ALA MB 1 39 GLU H . . 5.000 4.858 4.818 4.918 . 0 0 "[ . 1 . 2]" 1
514 1 37 ALA MB 1 40 SER QB . . 5.000 3.902 3.756 4.433 . 0 0 "[ . 1 . 2]" 1
515 1 36 ALA HA 1 37 ALA H . . 4.000 3.558 3.556 3.563 . 0 0 "[ . 1 . 2]" 1
516 1 37 ALA H 1 37 ALA HA . . 3.000 2.831 2.823 2.846 . 0 0 "[ . 1 . 2]" 1
517 1 38 PHE H 1 38 PHE QD . . 5.500 3.072 2.713 3.656 . 0 0 "[ . 1 . 2]" 1
518 1 38 PHE HA 1 38 PHE QD . . 3.500 2.379 2.169 2.706 . 0 0 "[ . 1 . 2]" 1
519 1 38 PHE H 1 38 PHE QB . . 3.500 2.061 2.046 2.098 . 0 0 "[ . 1 . 2]" 1
520 1 38 PHE H 1 39 GLU H . . 3.000 2.829 2.789 2.903 . 0 0 "[ . 1 . 2]" 1
521 1 38 PHE HA 1 41 GLU QB . . 4.500 2.774 2.683 2.892 . 0 0 "[ . 1 . 2]" 1
522 1 38 PHE HA 1 41 GLU H . . 3.500 3.602 3.579 3.632 0.132 11 0 "[ . 1 . 2]" 1
523 1 38 PHE QB 1 39 GLU H . . 4.300 2.456 2.407 2.487 . 0 0 "[ . 1 . 2]" 1
524 1 38 PHE QR 1 39 GLU H . . 5.000 4.368 4.317 4.388 . 0 0 "[ . 1 . 2]" 1
525 1 38 PHE QR 1 39 GLU HA . . 6.000 5.127 4.874 5.341 . 0 0 "[ . 1 . 2]" 1
526 1 38 PHE QR 1 39 GLU QG . . 6.000 5.553 5.487 5.701 . 0 0 "[ . 1 . 2]" 1
527 1 38 PHE H 1 40 SER H . . 4.500 3.995 3.892 4.066 . 0 0 "[ . 1 . 2]" 1
528 1 38 PHE HA 1 40 SER H . . 4.500 4.511 4.459 4.532 0.032 4 0 "[ . 1 . 2]" 1
529 1 38 PHE H 1 41 GLU H . . 5.500 4.584 4.519 4.688 . 0 0 "[ . 1 . 2]" 1
530 1 38 PHE QB 1 42 LEU QD . . 6.000 2.743 2.552 3.024 . 0 0 "[ . 1 . 2]" 1
531 1 38 PHE QR 1 42 LEU QD . . 6.000 2.879 2.378 3.340 . 0 0 "[ . 1 . 2]" 1
532 1 37 ALA HA 1 38 PHE H . . 4.000 3.509 3.492 3.532 . 0 0 "[ . 1 . 2]" 1
533 1 38 PHE H 1 38 PHE HA . . 3.000 2.801 2.781 2.814 . 0 0 "[ . 1 . 2]" 1
534 1 38 PHE HA 1 39 GLU H . . 4.000 3.566 3.564 3.568 . 0 0 "[ . 1 . 2]" 1
535 1 39 GLU H 1 39 GLU QB . . 3.500 2.546 2.436 2.592 . 0 0 "[ . 1 . 2]" 1
536 1 39 GLU H 1 39 GLU QG . . 3.500 1.991 1.929 2.219 . 0 0 "[ . 1 . 2]" 1
537 1 39 GLU HA 1 39 GLU QG . . 3.500 3.343 3.335 3.449 . 0 0 "[ . 1 . 2]" 1
538 1 39 GLU H 1 41 GLU H . . 4.500 4.010 3.949 4.086 . 0 0 "[ . 1 . 2]" 1
539 1 39 GLU H 1 42 LEU H . . 5.500 4.678 4.602 4.758 . 0 0 "[ . 1 . 2]" 1
540 1 39 GLU HA 1 42 LEU QB . . 4.500 2.605 2.398 2.837 . 0 0 "[ . 1 . 2]" 1
541 1 39 GLU HA 1 42 LEU QD . . 5.000 2.399 1.955 2.881 . 0 0 "[ . 1 . 2]" 1
542 1 39 GLU QG 1 42 LEU QD . . 5.000 4.686 4.363 4.979 . 0 0 "[ . 1 . 2]" 1
543 1 39 GLU QG 1 42 LEU QB . . 6.000 5.257 5.055 5.464 . 0 0 "[ . 1 . 2]" 1
544 1 39 GLU QG 1 43 GLN QG . . 5.000 4.508 4.085 5.014 0.014 11 0 "[ . 1 . 2]" 1
545 1 39 GLU H 1 40 SER H . . 3.000 2.637 2.597 2.695 . 0 0 "[ . 1 . 2]" 1
546 1 39 GLU QB 1 40 SER H . . 4.300 3.401 3.371 3.467 . 0 0 "[ . 1 . 2]" 1
547 1 39 GLU HA 1 42 LEU H . . 3.500 3.323 3.248 3.418 . 0 0 "[ . 1 . 2]" 1
548 1 39 GLU H 1 39 GLU HA . . 3.000 2.820 2.802 2.829 . 0 0 "[ . 1 . 2]" 1
549 1 40 SER H 1 40 SER QB . . 3.500 2.236 2.152 2.277 . 0 0 "[ . 1 . 2]" 1
550 1 40 SER H 1 41 GLU QB . . 5.000 4.418 4.338 4.558 . 0 0 "[ . 1 . 2]" 1
551 1 40 SER H 1 42 LEU H . . 4.500 4.030 3.898 4.162 . 0 0 "[ . 1 . 2]" 1
552 1 40 SER H 1 43 GLN H . . 5.500 4.734 4.655 4.831 . 0 0 "[ . 1 . 2]" 1
553 1 40 SER HA 1 43 GLN QB . . 4.500 3.440 3.261 3.629 . 0 0 "[ . 1 . 2]" 1
554 1 40 SER QB 1 41 GLU QB . . 5.000 4.450 4.215 5.000 0.000 3 0 "[ . 1 . 2]" 1
555 1 36 ALA HA 1 40 SER QB . . 5.000 4.465 4.280 4.587 . 0 0 "[ . 1 . 2]" 1
556 1 40 SER H 1 41 GLU H . . 3.000 2.566 2.526 2.629 . 0 0 "[ . 1 . 2]" 1
557 1 40 SER QB 1 41 GLU H . . 4.300 2.949 2.735 3.504 . 0 0 "[ . 1 . 2]" 1
558 1 40 SER HA 1 42 LEU H . . 4.500 4.365 4.192 4.511 0.011 9 0 "[ . 1 . 2]" 1
559 1 40 SER HA 1 43 GLN H . . 3.500 3.595 3.569 3.671 0.171 4 0 "[ . 1 . 2]" 1
560 1 40 SER H 1 43 GLN QB . . 6.000 5.142 4.988 5.334 . 0 0 "[ . 1 . 2]" 1
561 1 39 GLU HA 1 40 SER H . . 4.000 3.526 3.513 3.533 . 0 0 "[ . 1 . 2]" 1
562 1 40 SER H 1 40 SER HA . . 3.000 2.831 2.812 2.843 . 0 0 "[ . 1 . 2]" 1
563 1 41 GLU H 1 41 GLU QB . . 3.500 2.201 2.111 2.290 . 0 0 "[ . 1 . 2]" 1
564 1 41 GLU H 1 41 GLU QG . . 3.500 2.967 2.764 3.233 . 0 0 "[ . 1 . 2]" 1
565 1 41 GLU HA 1 41 GLU QG . . 3.500 2.333 2.096 2.629 . 0 0 "[ . 1 . 2]" 1
566 1 41 GLU HA 1 44 ALA MB . . 4.500 2.921 2.772 3.130 . 0 0 "[ . 1 . 2]" 1
567 1 41 GLU H 1 42 LEU H . . 3.000 2.376 2.324 2.421 . 0 0 "[ . 1 . 2]" 1
568 1 41 GLU QB 1 42 LEU H . . 4.300 2.809 2.694 2.961 . 0 0 "[ . 1 . 2]" 1
569 1 41 GLU H 1 43 GLN H . . 4.500 3.845 3.767 3.998 . 0 0 "[ . 1 . 2]" 1
570 1 41 GLU HA 1 43 GLN H . . 4.500 4.241 4.104 4.354 . 0 0 "[ . 1 . 2]" 1
571 1 41 GLU H 1 44 ALA H . . 5.500 4.867 4.677 5.054 . 0 0 "[ . 1 . 2]" 1
572 1 41 GLU HA 1 44 ALA H . . 3.500 3.579 3.528 3.625 0.125 4 0 "[ . 1 . 2]" 1
573 1 40 SER HA 1 41 GLU H . . 4.000 3.486 3.467 3.510 . 0 0 "[ . 1 . 2]" 1
574 1 41 GLU H 1 41 GLU HA . . 3.000 2.886 2.879 2.895 . 0 0 "[ . 1 . 2]" 1
575 1 42 LEU HA 1 42 LEU QD . . 4.000 2.476 2.299 2.667 . 0 0 "[ . 1 . 2]" 1
576 1 42 LEU H 1 42 LEU QB . . 3.500 2.358 2.318 2.464 . 0 0 "[ . 1 . 2]" 1
577 1 42 LEU HA 1 42 LEU HG . . 3.000 2.771 2.640 2.908 . 0 0 "[ . 1 . 2]" 1
578 1 42 LEU H 1 42 LEU HG . . 5.000 2.570 2.298 2.706 . 0 0 "[ . 1 . 2]" 1
579 1 42 LEU H 1 43 GLN H . . 3.000 2.440 2.340 2.549 . 0 0 "[ . 1 . 2]" 1
580 1 42 LEU HA 1 45 TYR QB . . 4.500 3.460 2.533 3.782 . 0 0 "[ . 1 . 2]" 1
581 1 42 LEU HA 1 45 TYR H . . 3.500 3.511 3.193 3.554 0.054 10 0 "[ . 1 . 2]" 1
582 1 42 LEU QD 1 56 LEU QD . . 6.000 1.646 1.530 1.867 . 0 0 "[ . 1 . 2]" 1
583 1 42 LEU QD 1 53 VAL QG . . 3.500 2.528 1.949 2.751 . 0 0 "[ . 1 . 2]" 1
584 1 42 LEU QD 1 57 ARG QG . . 5.500 4.366 2.783 5.509 0.009 14 0 "[ . 1 . 2]" 1
585 1 42 LEU HG 1 56 LEU QD . . 6.000 3.657 3.394 4.060 . 0 0 "[ . 1 . 2]" 1
586 1 42 LEU QB 1 43 GLN H . . 4.300 2.781 2.689 2.901 . 0 0 "[ . 1 . 2]" 1
587 1 42 LEU H 1 44 ALA H . . 4.500 3.892 3.787 4.009 . 0 0 "[ . 1 . 2]" 1
588 1 42 LEU QD 1 53 VAL HA . . 6.000 3.233 2.697 3.884 . 0 0 "[ . 1 . 2]" 1
589 1 42 LEU QB 1 53 VAL HB . . 5.500 4.613 4.077 5.180 . 0 0 "[ . 1 . 2]" 1
590 1 42 LEU QD 1 53 VAL HB . . 5.000 4.866 4.279 5.036 0.036 13 0 "[ . 1 . 2]" 1
591 1 42 LEU QD 1 56 LEU QB . . 5.000 1.818 1.699 1.948 . 0 0 "[ . 1 . 2]" 1
592 1 42 LEU QD 1 56 LEU HG . . 7.000 3.131 2.373 3.578 . 0 0 "[ . 1 . 2]" 1
593 1 42 LEU QD 1 57 ARG HA . . 4.500 3.688 2.477 4.490 . 0 0 "[ . 1 . 2]" 1
594 1 42 LEU QD 1 57 ARG H . . 6.000 3.767 3.061 4.267 . 0 0 "[ . 1 . 2]" 1
595 1 41 GLU HA 1 42 LEU H . . 4.000 3.498 3.459 3.529 . 0 0 "[ . 1 . 2]" 1
596 1 42 LEU H 1 42 LEU HA . . 3.000 2.868 2.839 2.890 . 0 0 "[ . 1 . 2]" 1
597 1 42 LEU MD1 1 42 LEU MD2 . . 3.000 1.975 1.896 2.093 . 0 0 "[ . 1 . 2]" 1
598 1 43 GLN H 1 43 GLN QB . . 3.000 2.388 2.308 2.438 . 0 0 "[ . 1 . 2]" 1
599 1 43 GLN H 1 43 GLN QG . . 4.500 2.479 2.413 2.591 . 0 0 "[ . 1 . 2]" 1
600 1 43 GLN HA 1 43 GLN QG . . 3.500 3.387 3.370 3.415 . 0 0 "[ . 1 . 2]" 1
601 1 43 GLN H 1 44 ALA H . . 3.000 2.479 2.401 2.606 . 0 0 "[ . 1 . 2]" 1
602 1 43 GLN H 1 45 TYR QD . . 5.000 4.996 4.910 5.037 0.037 11 0 "[ . 1 . 2]" 1
603 1 43 GLN H 1 45 TYR H . . 4.500 4.087 3.952 4.217 . 0 0 "[ . 1 . 2]" 1
604 1 43 GLN QB 1 44 ALA H . . 4.300 3.652 3.622 3.701 . 0 0 "[ . 1 . 2]" 1
605 1 43 GLN QG 1 44 ALA MB . . 3.000 2.999 2.818 3.085 0.085 14 0 "[ . 1 . 2]" 1
606 1 43 GLN QB 1 44 ALA HA . . 5.000 4.597 4.571 4.626 . 0 0 "[ . 1 . 2]" 1
607 1 43 GLN HA 1 45 TYR H . . 4.500 3.879 3.771 4.022 . 0 0 "[ . 1 . 2]" 1
608 1 42 LEU HA 1 43 GLN H . . 4.000 3.488 3.457 3.508 . 0 0 "[ . 1 . 2]" 1
609 1 43 GLN H 1 43 GLN HA . . 3.000 2.856 2.816 2.877 . 0 0 "[ . 1 . 2]" 1
610 1 44 ALA H 1 44 ALA MB . . 3.500 2.217 2.168 2.298 . 0 0 "[ . 1 . 2]" 1
611 1 44 ALA MB 1 45 TYR H . . 4.300 2.953 2.779 3.096 . 0 0 "[ . 1 . 2]" 1
612 1 44 ALA H 1 45 TYR H . . 3.000 2.418 2.295 2.521 . 0 0 "[ . 1 . 2]" 1
613 1 44 ALA MB 1 45 TYR HA . . 5.000 3.841 3.782 3.914 . 0 0 "[ . 1 . 2]" 1
614 1 44 ALA MB 1 45 TYR QB . . 5.500 4.528 4.347 4.621 . 0 0 "[ . 1 . 2]" 1
615 1 43 GLN HA 1 44 ALA H . . 4.000 3.424 3.396 3.440 . 0 0 "[ . 1 . 2]" 1
616 1 44 ALA H 1 44 ALA HA . . 3.000 2.875 2.847 2.904 . 0 0 "[ . 1 . 2]" 1
617 1 45 TYR H 1 45 TYR QD . . 5.500 3.061 2.179 3.445 . 0 0 "[ . 1 . 2]" 1
618 1 45 TYR H 1 45 TYR QE . . 6.000 4.833 4.384 5.227 . 0 0 "[ . 1 . 2]" 1
619 1 45 TYR HA 1 45 TYR QD . . 4.500 2.271 2.041 2.910 . 0 0 "[ . 1 . 2]" 1
620 1 45 TYR H 1 45 TYR QB . . 3.500 2.246 2.120 2.563 . 0 0 "[ . 1 . 2]" 1
621 1 45 TYR H 1 46 LYS H . . 3.000 2.920 2.436 3.060 0.060 3 0 "[ . 1 . 2]" 1
622 1 45 TYR QR 1 53 VAL H . . 6.000 6.007 5.880 6.041 0.041 8 0 "[ . 1 . 2]" 1
623 1 45 TYR QR 1 53 VAL HA . . 7.000 5.280 4.467 6.045 . 0 0 "[ . 1 . 2]" 1
624 1 45 TYR QR 1 53 VAL QG . . 6.000 2.906 2.183 3.409 . 0 0 "[ . 1 . 2]" 1
625 1 44 ALA HA 1 45 TYR H . . 4.000 3.437 3.391 3.491 . 0 0 "[ . 1 . 2]" 1
626 1 45 TYR H 1 45 TYR HA . . 3.000 2.782 2.748 2.900 . 0 0 "[ . 1 . 2]" 1
627 1 45 TYR HA 1 46 LYS H . . 4.000 3.556 3.452 3.570 . 0 0 "[ . 1 . 2]" 1
628 1 47 GLY H 1 52 GLU QG . . 5.500 5.537 5.504 5.591 0.091 9 0 "[ . 1 . 2]" 1
629 1 49 GLY QA 1 50 ASN QB . . 5.000 4.315 3.859 4.735 . 0 0 "[ . 1 . 2]" 1
630 1 50 ASN QB 1 51 PRO HA . . 5.000 4.652 4.486 4.941 . 0 0 "[ . 1 . 2]" 1
631 1 50 ASN QB 1 53 VAL HB . . 7.000 3.927 1.944 5.224 . 0 0 "[ . 1 . 2]" 1
632 1 50 ASN QB 1 51 PRO QB . . 5.500 5.189 4.549 5.592 0.092 10 0 "[ . 1 . 2]" 1
633 1 50 ASN QB 1 53 VAL QG . . 7.000 2.686 1.958 4.094 . 0 0 "[ . 1 . 2]" 1
634 1 50 ASN HA 1 51 PRO QG . . 5.000 3.943 3.766 4.070 . 0 0 "[ . 1 . 2]" 1
635 1 50 ASN QB 1 51 PRO QD . . 5.000 3.198 1.979 3.800 . 0 0 "[ . 1 . 2]" 1
636 1 50 ASN HA 1 51 PRO HA . . 5.500 4.555 4.387 4.706 . 0 0 "[ . 1 . 2]" 1
637 1 51 PRO HA 1 54 GLU H . . 3.500 3.369 2.949 3.612 0.112 5 0 "[ . 1 . 2]" 1
638 1 51 PRO HA 1 54 GLU QB . . 4.500 3.200 1.985 4.282 . 0 0 "[ . 1 . 2]" 1
639 1 51 PRO HA 1 54 GLU QG . . 5.000 2.766 1.928 4.695 . 0 0 "[ . 1 . 2]" 1
640 1 50 ASN HA 1 51 PRO QD . . 5.000 2.046 1.852 2.197 . 0 0 "[ . 1 . 2]" 1
641 1 51 PRO HA 1 51 PRO QD . . 4.000 3.381 3.381 3.382 . 0 0 "[ . 1 . 2]" 1
642 1 51 PRO QB 1 51 PRO QD . . 3.000 2.766 2.766 2.766 . 0 0 "[ . 1 . 2]" 1
643 1 52 GLU H 1 52 GLU QB . . 3.000 2.568 2.398 2.642 . 0 0 "[ . 1 . 2]" 1
644 1 52 GLU H 1 52 GLU QG . . 3.000 2.019 1.926 2.273 . 0 0 "[ . 1 . 2]" 1
645 1 52 GLU H 1 53 VAL H . . 3.000 2.725 2.540 2.913 . 0 0 "[ . 1 . 2]" 1
646 1 52 GLU QB 1 53 VAL H . . 4.300 3.393 3.199 3.576 . 0 0 "[ . 1 . 2]" 1
647 1 52 GLU H 1 54 GLU H . . 4.500 4.018 3.758 4.284 . 0 0 "[ . 1 . 2]" 1
648 1 52 GLU HA 1 54 GLU H . . 4.500 3.913 3.660 4.419 . 0 0 "[ . 1 . 2]" 1
649 1 52 GLU QB 1 54 GLU QB . . 6.000 5.798 5.385 6.042 0.042 14 0 "[ . 1 . 2]" 1
650 1 52 GLU QB 1 54 GLU QG . . 6.000 5.598 4.657 6.040 0.040 1 0 "[ . 1 . 2]" 1
651 1 52 GLU HA 1 55 ALA H . . 4.000 3.885 3.409 4.081 0.081 6 0 "[ . 1 . 2]" 1
652 1 52 GLU HA 1 55 ALA MB . . 4.500 3.772 2.969 4.129 . 0 0 "[ . 1 . 2]" 1
653 1 51 PRO HA 1 52 GLU H . . 4.000 3.464 3.428 3.571 . 0 0 "[ . 1 . 2]" 1
654 1 52 GLU H 1 52 GLU HA . . 3.000 2.788 2.746 2.853 . 0 0 "[ . 1 . 2]" 1
655 1 53 VAL H 1 53 VAL HB . . 3.000 2.592 2.457 2.683 . 0 0 "[ . 1 . 2]" 1
656 1 53 VAL H 1 53 VAL MG1 . . 4.500 3.768 3.756 3.797 . 0 0 "[ . 1 . 2]" 1
657 1 53 VAL H 1 53 VAL MG2 . . 4.500 2.137 1.912 2.445 . 0 0 "[ . 1 . 2]" 1
658 1 53 VAL HA 1 53 VAL HB . . 3.000 3.020 3.013 3.023 0.023 14 0 "[ . 1 . 2]" 1
659 1 53 VAL H 1 54 GLU H . . 3.000 2.559 2.321 2.769 . 0 0 "[ . 1 . 2]" 1
660 1 53 VAL HA 1 56 LEU QD . . 6.000 2.422 1.876 3.730 . 0 0 "[ . 1 . 2]" 1
661 1 53 VAL HB 1 54 GLU H . . 4.300 3.056 2.854 3.120 . 0 0 "[ . 1 . 2]" 1
662 1 53 VAL QG 1 57 ARG QD . . 5.500 3.176 1.959 5.187 . 0 0 "[ . 1 . 2]" 1
663 1 53 VAL QG 1 54 GLU H . . 5.000 3.450 3.321 3.492 . 0 0 "[ . 1 . 2]" 1
664 1 53 VAL QG 1 54 GLU QG . . 5.000 4.430 3.996 5.113 0.113 8 0 "[ . 1 . 2]" 1
665 1 53 VAL HA 1 55 ALA H . . 4.500 4.316 3.810 4.589 0.089 19 0 "[ . 1 . 2]" 1
666 1 53 VAL HA 1 56 LEU H . . 3.500 3.412 3.130 3.556 0.056 8 0 "[ . 1 . 2]" 1
667 1 53 VAL HA 1 56 LEU QB . . 4.500 2.694 2.091 3.250 . 0 0 "[ . 1 . 2]" 1
668 1 53 VAL QG 1 56 LEU QD . . 7.000 2.833 2.064 3.868 . 0 0 "[ . 1 . 2]" 1
669 1 52 GLU HA 1 53 VAL H . . 4.000 3.518 3.452 3.557 . 0 0 "[ . 1 . 2]" 1
670 1 53 VAL H 1 53 VAL HA . . 3.000 2.831 2.757 2.897 . 0 0 "[ . 1 . 2]" 1
671 1 54 GLU H 1 54 GLU QG . . 3.500 2.413 1.933 3.074 . 0 0 "[ . 1 . 2]" 1
672 1 54 GLU HA 1 54 GLU QG . . 3.500 2.837 2.236 3.444 . 0 0 "[ . 1 . 2]" 1
673 1 54 GLU H 1 54 GLU QB . . 3.500 2.362 2.092 2.575 . 0 0 "[ . 1 . 2]" 1
674 1 54 GLU H 1 55 ALA H . . 3.000 2.795 2.585 3.002 0.002 16 0 "[ . 1 . 2]" 1
675 1 54 GLU H 1 56 LEU H . . 4.500 4.320 3.975 4.533 0.033 3 0 "[ . 1 . 2]" 1
676 1 54 GLU QB 1 55 ALA H . . 4.300 2.692 2.207 3.462 . 0 0 "[ . 1 . 2]" 1
677 1 54 GLU QG 1 55 ALA H . . 5.000 3.301 1.969 4.086 . 0 0 "[ . 1 . 2]" 1
678 1 54 GLU HA 1 57 ARG H . . 4.000 3.745 3.566 3.995 . 0 0 "[ . 1 . 2]" 1
679 1 54 GLU HA 1 57 ARG QB . . 4.500 2.910 2.575 4.012 . 0 0 "[ . 1 . 2]" 1
680 1 53 VAL HA 1 54 GLU H . . 4.000 3.444 3.426 3.496 . 0 0 "[ . 1 . 2]" 1
681 1 54 GLU H 1 54 GLU HA . . 3.000 2.790 2.750 2.836 . 0 0 "[ . 1 . 2]" 1
682 1 55 ALA H 1 55 ALA MB . . 3.500 2.133 2.028 2.248 . 0 0 "[ . 1 . 2]" 1
683 1 55 ALA H 1 58 LYS H . . 5.500 4.717 4.581 4.908 . 0 0 "[ . 1 . 2]" 1
684 1 55 ALA H 1 56 LEU H . . 3.000 2.740 2.615 2.917 . 0 0 "[ . 1 . 2]" 1
685 1 55 ALA HA 1 58 LYS QB . . 4.500 2.728 2.431 3.001 . 0 0 "[ . 1 . 2]" 1
686 1 55 ALA MB 1 56 LEU H . . 4.300 2.457 2.238 2.781 . 0 0 "[ . 1 . 2]" 1
687 1 55 ALA H 1 56 LEU HA . . 6.000 5.322 5.224 5.463 . 0 0 "[ . 1 . 2]" 1
688 1 55 ALA H 1 57 ARG H . . 4.500 4.146 3.868 4.423 . 0 0 "[ . 1 . 2]" 1
689 1 55 ALA HA 1 58 LYS H . . 3.500 3.544 3.462 3.610 0.110 13 0 "[ . 1 . 2]" 1
690 1 54 GLU HA 1 55 ALA H . . 4.000 3.545 3.489 3.569 . 0 0 "[ . 1 . 2]" 1
691 1 55 ALA H 1 55 ALA HA . . 3.000 2.816 2.756 2.850 . 0 0 "[ . 1 . 2]" 1
692 1 56 LEU H 1 56 LEU QB . . 3.500 2.354 2.020 2.615 . 0 0 "[ . 1 . 2]" 1
693 1 56 LEU H 1 56 LEU HG . . 5.000 2.917 1.943 4.439 . 0 0 "[ . 1 . 2]" 1
694 1 56 LEU HA 1 56 LEU HG . . 3.000 2.779 2.583 3.002 0.002 20 0 "[ . 1 . 2]" 1
695 1 56 LEU HA 1 56 LEU QD . . 4.000 2.402 1.935 2.809 . 0 0 "[ . 1 . 2]" 1
696 1 56 LEU H 1 58 LYS H . . 4.500 4.225 3.902 4.340 . 0 0 "[ . 1 . 2]" 1
697 1 56 LEU HA 1 59 GLU QG . . 6.000 4.020 3.265 5.038 . 0 0 "[ . 1 . 2]" 1
698 1 56 LEU QB 1 57 ARG H . . 4.300 2.552 2.275 2.775 . 0 0 "[ . 1 . 2]" 1
699 1 56 LEU QD 1 57 ARG HA . . 5.000 5.067 4.993 5.178 0.178 13 0 "[ . 1 . 2]" 1
700 1 56 LEU H 1 57 ARG H . . 3.000 2.749 2.643 2.875 . 0 0 "[ . 1 . 2]" 1
701 1 56 LEU HA 1 58 LYS H . . 4.500 4.505 4.334 4.565 0.065 19 0 "[ . 1 . 2]" 1
702 1 56 LEU QD 1 59 GLU H . . 6.000 5.311 4.884 5.681 . 0 0 "[ . 1 . 2]" 1
703 1 56 LEU HA 1 59 GLU H . . 4.000 3.833 3.747 3.959 . 0 0 "[ . 1 . 2]" 1
704 1 56 LEU HA 1 59 GLU QB . . 4.500 2.989 2.837 3.137 . 0 0 "[ . 1 . 2]" 1
705 1 55 ALA HA 1 56 LEU H . . 4.000 3.557 3.514 3.571 . 0 0 "[ . 1 . 2]" 1
706 1 56 LEU H 1 56 LEU HA . . 3.000 2.792 2.758 2.826 . 0 0 "[ . 1 . 2]" 1
707 1 57 ARG H 1 57 ARG QG . . 4.500 3.372 2.071 4.039 . 0 0 "[ . 1 . 2]" 1
708 1 57 ARG H 1 57 ARG QD . . 4.000 3.975 3.755 4.072 0.072 13 0 "[ . 1 . 2]" 1
709 1 57 ARG HA 1 57 ARG QG . . 3.500 2.484 2.080 3.344 . 0 0 "[ . 1 . 2]" 1
710 1 57 ARG H 1 57 ARG QB . . 3.500 2.219 2.082 2.508 . 0 0 "[ . 1 . 2]" 1
711 1 57 ARG QB 1 57 ARG QD . . 3.500 2.169 1.938 2.828 . 0 0 "[ . 1 . 2]" 1
712 1 57 ARG H 1 59 GLU H . . 4.500 4.493 4.392 4.531 0.031 15 0 "[ . 1 . 2]" 1
713 1 57 ARG H 1 60 ALA H . . 5.500 4.822 4.738 4.936 . 0 0 "[ . 1 . 2]" 1
714 1 57 ARG HA 1 60 ALA MB . . 4.500 2.657 2.429 2.844 . 0 0 "[ . 1 . 2]" 1
715 1 57 ARG QB 1 58 LYS H . . 4.300 2.649 2.485 3.482 . 0 0 "[ . 1 . 2]" 1
716 1 57 ARG H 1 58 LYS H . . 3.000 2.675 2.620 2.754 . 0 0 "[ . 1 . 2]" 1
717 1 56 LEU HA 1 57 ARG H . . 4.000 3.540 3.517 3.565 . 0 0 "[ . 1 . 2]" 1
718 1 57 ARG H 1 57 ARG HA . . 3.000 2.816 2.796 2.831 . 0 0 "[ . 1 . 2]" 1
719 1 58 LYS H 1 58 LYS QB . . 3.000 2.171 2.041 2.336 . 0 0 "[ . 1 . 2]" 1
720 1 58 LYS H 1 58 LYS QD . . 6.000 4.333 3.570 4.660 . 0 0 "[ . 1 . 2]" 1
721 1 58 LYS HA 1 58 LYS QD . . 4.500 3.206 2.039 4.017 . 0 0 "[ . 1 . 2]" 1
722 1 58 LYS HA 1 58 LYS QE . . 4.000 3.240 2.007 3.922 . 0 0 "[ . 1 . 2]" 1
723 1 58 LYS QB 1 58 LYS QD . . 3.500 2.150 1.950 2.627 . 0 0 "[ . 1 . 2]" 1
724 1 58 LYS HA 1 58 LYS QG . . 3.500 2.333 2.033 2.818 . 0 0 "[ . 1 . 2]" 1
725 1 58 LYS H 1 59 GLU H . . 3.000 2.853 2.781 2.902 . 0 0 "[ . 1 . 2]" 1
726 1 58 LYS HA 1 61 ALA MB . . 4.500 2.940 2.818 3.078 . 0 0 "[ . 1 . 2]" 1
727 1 58 LYS QB 1 59 GLU H . . 4.300 2.278 2.150 2.434 . 0 0 "[ . 1 . 2]" 1
728 1 58 LYS QB 1 60 ALA H . . 5.000 4.670 4.591 4.776 . 0 0 "[ . 1 . 2]" 1
729 1 58 LYS HA 1 60 ALA H . . 5.000 4.750 4.556 4.835 . 0 0 "[ . 1 . 2]" 1
730 1 58 LYS H 1 61 ALA H . . 5.500 4.799 4.744 4.872 . 0 0 "[ . 1 . 2]" 1
731 1 58 LYS HA 1 61 ALA H . . 4.000 3.816 3.751 3.884 . 0 0 "[ . 1 . 2]" 1
732 1 57 ARG HA 1 58 LYS H . . 4.000 3.541 3.507 3.549 . 0 0 "[ . 1 . 2]" 1
733 1 58 LYS H 1 58 LYS HA . . 3.000 2.805 2.783 2.821 . 0 0 "[ . 1 . 2]" 1
734 1 59 GLU H 1 59 GLU QB . . 3.500 2.318 2.064 2.516 . 0 0 "[ . 1 . 2]" 1
735 1 59 GLU HA 1 59 GLU QG . . 3.500 2.420 2.020 2.834 . 0 0 "[ . 1 . 2]" 1
736 1 59 GLU H 1 59 GLU QG . . 3.500 2.669 2.066 3.716 0.216 19 0 "[ . 1 . 2]" 1
737 1 59 GLU H 1 61 ALA H . . 4.500 4.451 4.391 4.509 0.009 15 0 "[ . 1 . 2]" 1
738 1 59 GLU HA 1 62 ALA MB . . 4.500 2.702 2.568 2.811 . 0 0 "[ . 1 . 2]" 1
739 1 59 GLU QB 1 60 ALA H . . 4.300 2.428 2.285 2.729 . 0 0 "[ . 1 . 2]" 1
740 1 59 GLU H 1 60 ALA H . . 3.000 2.865 2.759 2.898 . 0 0 "[ . 1 . 2]" 1
741 1 59 GLU H 1 62 ALA H . . 5.500 4.848 4.819 4.875 . 0 0 "[ . 1 . 2]" 1
742 1 59 GLU HA 1 62 ALA H . . 3.500 3.564 3.554 3.582 0.082 7 0 "[ . 1 . 2]" 1
743 1 59 GLU QB 1 63 ILE MD . . 5.000 2.782 2.315 3.804 . 0 0 "[ . 1 . 2]" 1
744 1 58 LYS HA 1 59 GLU H . . 4.000 3.570 3.568 3.572 . 0 0 "[ . 1 . 2]" 1
745 1 59 GLU H 1 59 GLU HA . . 3.000 2.774 2.763 2.792 . 0 0 "[ . 1 . 2]" 1
746 1 60 ALA H 1 60 ALA MB . . 3.500 2.170 2.051 2.226 . 0 0 "[ . 1 . 2]" 1
747 1 60 ALA H 1 61 ALA H . . 3.000 2.925 2.887 2.948 . 0 0 "[ . 1 . 2]" 1
748 1 60 ALA H 1 63 ILE H . . 5.500 4.849 4.757 4.889 . 0 0 "[ . 1 . 2]" 1
749 1 60 ALA HA 1 63 ILE HB . . 4.500 3.028 2.944 3.101 . 0 0 "[ . 1 . 2]" 1
750 1 60 ALA MB 1 61 ALA H . . 4.300 2.390 2.285 2.512 . 0 0 "[ . 1 . 2]" 1
751 1 60 ALA H 1 62 ALA H . . 4.500 4.283 4.203 4.318 . 0 0 "[ . 1 . 2]" 1
752 1 60 ALA HA 1 62 ALA H . . 4.500 4.497 4.465 4.523 0.023 16 0 "[ . 1 . 2]" 1
753 1 60 ALA HA 1 63 ILE H . . 3.500 3.579 3.558 3.603 0.103 19 0 "[ . 1 . 2]" 1
754 1 60 ALA MB 1 63 ILE HB . . 5.000 4.305 4.246 4.360 . 0 0 "[ . 1 . 2]" 1
755 1 60 ALA MB 1 63 ILE MD . . 5.000 3.461 3.295 3.778 . 0 0 "[ . 1 . 2]" 1
756 1 60 ALA HA 1 63 ILE MD . . 5.000 2.083 1.924 2.545 . 0 0 "[ . 1 . 2]" 1
757 1 59 GLU HA 1 60 ALA H . . 4.000 3.561 3.544 3.566 . 0 0 "[ . 1 . 2]" 1
758 1 60 ALA H 1 63 ILE MD . . 5.000 3.709 3.382 4.245 . 0 0 "[ . 1 . 2]" 1
759 1 60 ALA H 1 60 ALA HA . . 3.000 2.758 2.753 2.778 . 0 0 "[ . 1 . 2]" 1
760 1 61 ALA H 1 61 ALA MB . . 3.500 2.183 2.079 2.234 . 0 0 "[ . 1 . 2]" 1
761 1 61 ALA H 1 62 ALA H . . 3.000 2.814 2.788 2.830 . 0 0 "[ . 1 . 2]" 1
762 1 61 ALA H 1 63 ILE H . . 4.500 4.354 4.284 4.396 . 0 0 "[ . 1 . 2]" 1
763 1 61 ALA MB 1 62 ALA H . . 4.300 2.510 2.438 2.615 . 0 0 "[ . 1 . 2]" 1
764 1 61 ALA HA 1 63 ILE H . . 5.000 4.543 4.482 4.584 . 0 0 "[ . 1 . 2]" 1
765 1 61 ALA HA 1 64 ARG H . . 3.500 3.562 3.524 3.579 0.079 16 0 "[ . 1 . 2]" 1
766 1 61 ALA HA 1 64 ARG QB . . 4.500 2.785 2.674 2.922 . 0 0 "[ . 1 . 2]" 1
767 1 60 ALA HA 1 61 ALA H . . 4.000 3.566 3.563 3.568 . 0 0 "[ . 1 . 2]" 1
768 1 61 ALA H 1 61 ALA HA . . 3.000 2.773 2.769 2.779 . 0 0 "[ . 1 . 2]" 1
769 1 62 ALA H 1 62 ALA MB . . 3.500 2.114 2.024 2.231 . 0 0 "[ . 1 . 2]" 1
770 1 62 ALA H 1 65 ASP H . . 5.500 4.864 4.746 4.900 . 0 0 "[ . 1 . 2]" 1
771 1 62 ALA MB 1 63 ILE H . . 4.300 2.502 2.410 2.622 . 0 0 "[ . 1 . 2]" 1
772 1 62 ALA H 1 63 ILE H . . 3.000 2.773 2.722 2.799 . 0 0 "[ . 1 . 2]" 1
773 1 62 ALA MB 1 63 ILE HA . . 5.000 3.716 3.660 3.797 . 0 0 "[ . 1 . 2]" 1
774 1 62 ALA MB 1 63 ILE QG . . 5.000 3.049 2.949 3.189 . 0 0 "[ . 1 . 2]" 1
775 1 62 ALA H 1 64 ARG H . . 4.500 4.246 4.178 4.298 . 0 0 "[ . 1 . 2]" 1
776 1 62 ALA HA 1 64 ARG H . . 4.500 4.519 4.409 4.564 0.064 16 0 "[ . 1 . 2]" 1
777 1 62 ALA MB 1 65 ASP QB . . 5.000 4.136 3.976 4.249 . 0 0 "[ . 1 . 2]" 1
778 1 62 ALA HA 1 65 ASP QB . . 4.500 2.887 2.732 3.101 . 0 0 "[ . 1 . 2]" 1
779 1 61 ALA HA 1 62 ALA H . . 4.000 3.549 3.545 3.552 . 0 0 "[ . 1 . 2]" 1
780 1 62 ALA H 1 62 ALA HA . . 3.000 2.793 2.789 2.803 . 0 0 "[ . 1 . 2]" 1
781 1 62 ALA HA 1 63 ILE H . . 4.000 3.553 3.545 3.558 . 0 0 "[ . 1 . 2]" 1
782 1 63 ILE H 1 63 ILE HA . . 3.000 2.799 2.794 2.809 . 0 0 "[ . 1 . 2]" 1
783 1 63 ILE H 1 63 ILE HB . . 4.000 2.565 2.519 2.605 . 0 0 "[ . 1 . 2]" 1
784 1 63 ILE H 1 63 ILE MD . . 5.000 3.118 2.869 3.506 . 0 0 "[ . 1 . 2]" 1
785 1 63 ILE H 1 63 ILE QG . . 3.500 2.087 1.933 2.172 . 0 0 "[ . 1 . 2]" 1
786 1 63 ILE HA 1 63 ILE QG . . 3.000 2.439 2.401 2.474 . 0 0 "[ . 1 . 2]" 1
787 1 63 ILE HA 1 63 ILE HB . . 3.000 3.020 3.020 3.021 0.021 19 0 "[ . 1 . 2]" 1
788 1 63 ILE H 1 63 ILE MG . . 4.000 3.764 3.761 3.765 . 0 0 "[ . 1 . 2]" 1
789 1 63 ILE MD 1 63 ILE MG . . 3.000 2.355 1.924 2.664 . 0 0 "[ . 1 . 2]" 1
790 1 63 ILE H 1 65 ASP H . . 4.500 4.295 4.068 4.343 . 0 0 "[ . 1 . 2]" 1
791 1 63 ILE H 1 66 GLU H . . 5.500 4.849 4.820 4.908 . 0 0 "[ . 1 . 2]" 1
792 1 63 ILE HA 1 64 ARG QB . . 6.000 5.205 5.203 5.208 . 0 0 "[ . 1 . 2]" 1
793 1 63 ILE HA 1 66 GLU QB . . 4.500 2.970 2.871 3.930 . 0 0 "[ . 1 . 2]" 1
794 1 63 ILE HB 1 64 ARG QG . . 6.000 5.647 5.109 5.976 . 0 0 "[ . 1 . 2]" 1
795 1 63 ILE HB 1 64 ARG H . . 4.300 2.539 2.497 2.632 . 0 0 "[ . 1 . 2]" 1
796 1 63 ILE MG 1 67 CYS QB . . 6.000 4.012 3.807 4.102 . 0 0 "[ . 1 . 2]" 1
797 1 63 ILE H 1 64 ARG H . . 3.000 2.739 2.684 2.755 . 0 0 "[ . 1 . 2]" 1
798 1 63 ILE HA 1 65 ASP H . . 4.500 4.550 4.309 4.583 0.083 17 0 "[ . 1 . 2]" 1
799 1 63 ILE HA 1 66 GLU H . . 3.500 3.564 3.526 3.639 0.139 15 0 "[ . 1 . 2]" 1
800 1 35 ILE QG 1 63 ILE MG . . 5.000 1.965 1.868 2.332 . 0 0 "[ . 1 . 2]" 1
801 1 35 ILE HB 1 63 ILE MG . . 6.000 3.830 3.591 4.125 . 0 0 "[ . 1 . 2]" 1
802 1 64 ARG H 1 64 ARG QG . . 4.500 3.945 3.744 4.016 . 0 0 "[ . 1 . 2]" 1
803 1 64 ARG QB 1 64 ARG QD . . 3.500 2.153 1.960 2.450 . 0 0 "[ . 1 . 2]" 1
804 1 64 ARG H 1 64 ARG QB . . 3.500 2.219 2.105 2.253 . 0 0 "[ . 1 . 2]" 1
805 1 64 ARG HA 1 64 ARG QG . . 3.500 2.543 2.228 3.071 . 0 0 "[ . 1 . 2]" 1
806 1 64 ARG HA 1 67 CYS QB . . 4.300 2.835 2.592 2.923 . 0 0 "[ . 1 . 2]" 1
807 1 64 ARG QB 1 65 ASP H . . 4.300 2.467 2.387 2.690 . 0 0 "[ . 1 . 2]" 1
808 1 64 ARG QD 1 65 ASP QB . . 7.000 5.270 3.981 6.079 . 0 0 "[ . 1 . 2]" 1
809 1 64 ARG QG 1 65 ASP H . . 5.000 3.746 3.199 4.194 . 0 0 "[ . 1 . 2]" 1
810 1 64 ARG H 1 65 ASP H . . 3.000 2.756 2.571 2.794 . 0 0 "[ . 1 . 2]" 1
811 1 64 ARG QG 1 65 ASP HA . . 5.000 3.935 3.227 4.763 . 0 0 "[ . 1 . 2]" 1
812 1 64 ARG QD 1 65 ASP HA . . 5.000 4.199 2.707 5.032 0.032 17 0 "[ . 1 . 2]" 1
813 1 64 ARG HA 1 66 GLU H . . 4.500 4.498 4.453 4.611 0.111 15 0 "[ . 1 . 2]" 1
814 1 64 ARG H 1 66 GLU H . . 4.500 4.227 4.206 4.313 . 0 0 "[ . 1 . 2]" 1
815 1 64 ARG HA 1 67 CYS H . . 3.500 3.602 3.547 3.648 0.148 14 0 "[ . 1 . 2]" 1
816 1 63 ILE HA 1 64 ARG H . . 4.000 3.547 3.534 3.552 . 0 0 "[ . 1 . 2]" 1
817 1 64 ARG H 1 64 ARG HA . . 3.000 2.797 2.787 2.834 . 0 0 "[ . 1 . 2]" 1
818 1 65 ASP H 1 65 ASP QB . . 3.500 2.414 2.321 2.586 . 0 0 "[ . 1 . 2]" 1
819 1 65 ASP H 1 66 GLU H . . 3.000 2.743 2.684 2.762 . 0 0 "[ . 1 . 2]" 1
820 1 65 ASP H 1 67 CYS H . . 4.500 4.313 4.099 4.392 . 0 0 "[ . 1 . 2]" 1
821 1 65 ASP HA 1 66 GLU QB . . 6.000 5.503 5.487 5.536 . 0 0 "[ . 1 . 2]" 1
822 1 65 ASP HA 1 68 GLN H . . 3.500 3.576 3.542 3.637 0.137 15 0 "[ . 1 . 2]" 1
823 1 65 ASP QB 1 66 GLU QB . . 5.000 4.456 3.960 4.509 . 0 0 "[ . 1 . 2]" 1
824 1 65 ASP QB 1 66 GLU H . . 4.300 2.519 2.419 2.575 . 0 0 "[ . 1 . 2]" 1
825 1 65 ASP QB 1 67 CYS QB . . 6.000 5.938 5.862 6.053 0.053 14 0 "[ . 1 . 2]" 1
826 1 65 ASP QB 1 68 GLN H . . 6.000 4.909 4.798 4.958 . 0 0 "[ . 1 . 2]" 1
827 1 65 ASP QB 1 68 GLN QG . . 6.000 5.032 4.500 5.720 . 0 0 "[ . 1 . 2]" 1
828 1 65 ASP H 1 66 GLU QG . . 5.000 4.210 3.671 4.313 . 0 0 "[ . 1 . 2]" 1
829 1 65 ASP HA 1 66 GLU QG . . 5.000 5.042 5.012 5.083 0.083 7 0 "[ . 1 . 2]" 1
830 1 65 ASP QB 1 66 GLU QG . . 5.000 3.140 3.024 3.862 . 0 0 "[ . 1 . 2]" 1
831 1 65 ASP HA 1 68 GLN QB . . 4.500 2.860 2.620 3.090 . 0 0 "[ . 1 . 2]" 1
832 1 64 ARG HA 1 65 ASP H . . 4.000 3.550 3.511 3.555 . 0 0 "[ . 1 . 2]" 1
833 1 65 ASP H 1 65 ASP HA . . 3.000 2.797 2.790 2.829 . 0 0 "[ . 1 . 2]" 1
834 1 66 GLU H 1 66 GLU QB . . 3.500 2.551 2.528 2.593 . 0 0 "[ . 1 . 2]" 1
835 1 66 GLU H 1 66 GLU QG . . 3.500 2.078 1.908 2.125 . 0 0 "[ . 1 . 2]" 1
836 1 66 GLU HA 1 66 GLU QG . . 3.500 2.604 2.525 3.334 . 0 0 "[ . 1 . 2]" 1
837 1 66 GLU H 1 67 CYS H . . 3.000 2.754 2.677 2.790 . 0 0 "[ . 1 . 2]" 1
838 1 66 GLU H 1 68 GLN H . . 4.500 4.168 3.970 4.250 . 0 0 "[ . 1 . 2]" 1
839 1 66 GLU HA 1 69 ALA MB . . 4.500 2.507 2.362 2.753 . 0 0 "[ . 1 . 2]" 1
840 1 66 GLU HA 1 69 ALA H . . 3.500 3.370 3.308 3.491 . 0 0 "[ . 1 . 2]" 1
841 1 66 GLU QB 1 67 CYS H . . 4.300 2.448 2.318 3.310 . 0 0 "[ . 1 . 2]" 1
842 1 66 GLU QB 1 67 CYS HA . . 6.000 3.837 3.804 4.205 . 0 0 "[ . 1 . 2]" 1
843 1 66 GLU QB 1 67 CYS QB . . 5.000 4.364 4.294 5.018 0.018 15 0 "[ . 1 . 2]" 1
844 1 65 ASP HA 1 66 GLU H . . 4.000 3.546 3.540 3.556 . 0 0 "[ . 1 . 2]" 1
845 1 66 GLU H 1 66 GLU HA . . 3.000 2.802 2.795 2.818 . 0 0 "[ . 1 . 2]" 1
846 1 67 CYS H 1 67 CYS QB . . 3.500 2.409 2.357 2.495 . 0 0 "[ . 1 . 2]" 1
847 1 67 CYS H 1 68 GLN H . . 3.000 2.739 2.681 2.773 . 0 0 "[ . 1 . 2]" 1
848 1 67 CYS H 1 69 ALA H . . 4.500 4.017 3.907 4.169 . 0 0 "[ . 1 . 2]" 1
849 1 67 CYS HA 1 70 TYR QR . . 4.000 2.276 2.072 2.708 . 0 0 "[ . 1 . 2]" 1
850 1 67 CYS HA 1 70 TYR H . . 3.500 3.571 3.516 3.662 0.162 16 0 "[ . 1 . 2]" 1
851 1 67 CYS QB 1 68 GLN QG . . 5.000 3.163 2.968 3.367 . 0 0 "[ . 1 . 2]" 1
852 1 67 CYS QB 1 68 GLN H . . 4.300 2.571 2.512 2.750 . 0 0 "[ . 1 . 2]" 1
853 1 67 CYS H 1 68 GLN HA . . 6.000 5.338 5.293 5.363 . 0 0 "[ . 1 . 2]" 1
854 1 67 CYS HA 1 70 TYR QB . . 4.500 2.839 2.720 3.470 . 0 0 "[ . 1 . 2]" 1
855 1 67 CYS H 1 70 TYR H . . 6.000 4.944 4.734 5.010 . 0 0 "[ . 1 . 2]" 1
856 1 66 GLU HA 1 67 CYS H . . 4.000 3.553 3.541 3.560 . 0 0 "[ . 1 . 2]" 1
857 1 67 CYS H 1 67 CYS HA . . 3.000 2.790 2.784 2.805 . 0 0 "[ . 1 . 2]" 1
858 1 68 GLN H 1 68 GLN QB . . 3.000 2.448 2.376 2.623 . 0 0 "[ . 1 . 2]" 1
859 1 68 GLN H 1 68 GLN QG . . 4.500 2.327 2.110 2.596 . 0 0 "[ . 1 . 2]" 1
860 1 68 GLN HA 1 68 GLN QG . . 3.000 2.507 2.307 3.007 0.007 9 0 "[ . 1 . 2]" 1
861 1 68 GLN H 1 69 ALA H . . 3.000 2.536 2.409 2.641 . 0 0 "[ . 1 . 2]" 1
862 1 68 GLN H 1 70 TYR QR . . 5.000 5.025 4.991 5.067 0.067 14 0 "[ . 1 . 2]" 1
863 1 68 GLN QB 1 69 ALA H . . 4.300 2.799 2.585 2.976 . 0 0 "[ . 1 . 2]" 1
864 1 68 GLN HA 1 70 TYR H . . 4.500 3.763 3.665 4.470 . 0 0 "[ . 1 . 2]" 1
865 1 68 GLN QG 1 73 ASN QB . . 6.000 5.941 3.902 6.114 0.114 3 0 "[ . 1 . 2]" 1
866 1 67 CYS HA 1 68 GLN H . . 4.000 3.535 3.498 3.546 . 0 0 "[ . 1 . 2]" 1
867 1 68 GLN H 1 68 GLN HA . . 3.000 2.841 2.820 2.873 . 0 0 "[ . 1 . 2]" 1
868 1 69 ALA H 1 69 ALA MB . . 3.500 2.211 2.075 2.278 . 0 0 "[ . 1 . 2]" 1
869 1 69 ALA H 1 70 TYR QD . . 5.000 4.699 4.564 4.974 . 0 0 "[ . 1 . 2]" 1
870 1 69 ALA H 1 71 ARG H . . 4.500 4.187 3.926 4.430 . 0 0 "[ . 1 . 2]" 1
871 1 69 ALA MB 1 70 TYR QR . . 5.000 3.284 3.189 3.441 . 0 0 "[ . 1 . 2]" 1
872 1 69 ALA MB 1 72 HIS H . . 5.000 5.153 5.066 5.197 0.197 11 0 "[ . 1 . 2]" 1
873 1 69 ALA H 1 70 TYR H . . 3.000 2.475 2.381 2.614 . 0 0 "[ . 1 . 2]" 1
874 1 69 ALA MB 1 70 TYR H . . 4.300 3.143 2.699 3.276 . 0 0 "[ . 1 . 2]" 1
875 1 69 ALA MB 1 70 TYR HA . . 5.000 4.009 3.755 4.102 . 0 0 "[ . 1 . 2]" 1
876 1 69 ALA HA 1 71 ARG H . . 4.500 4.382 3.597 4.539 0.039 6 0 "[ . 1 . 2]" 1
877 1 68 GLN HA 1 69 ALA H . . 4.000 3.486 3.437 3.530 . 0 0 "[ . 1 . 2]" 1
878 1 69 ALA H 1 69 ALA HA . . 3.000 2.878 2.830 2.909 . 0 0 "[ . 1 . 2]" 1
879 1 70 TYR H 1 70 TYR QB . . 3.500 2.454 2.421 2.504 . 0 0 "[ . 1 . 2]" 1
880 1 70 TYR H 1 70 TYR QD . . 5.500 3.397 2.977 3.595 . 0 0 "[ . 1 . 2]" 1
881 1 70 TYR H 1 70 TYR QE . . 6.000 4.867 4.486 5.101 . 0 0 "[ . 1 . 2]" 1
882 1 70 TYR H 1 71 ARG H . . 3.000 2.239 2.084 2.651 . 0 0 "[ . 1 . 2]" 1
883 1 70 TYR HA 1 71 ARG QB . . 5.000 4.847 4.477 5.145 0.145 11 0 "[ . 1 . 2]" 1
884 1 70 TYR QB 1 71 ARG H . . 4.300 2.736 2.566 3.681 . 0 0 "[ . 1 . 2]" 1
885 1 70 TYR QR 1 71 ARG H . . 5.000 4.387 4.337 4.587 . 0 0 "[ . 1 . 2]" 1
886 1 69 ALA HA 1 70 TYR H . . 4.000 3.350 3.292 3.534 . 0 0 "[ . 1 . 2]" 1
887 1 70 TYR H 1 70 TYR HA . . 3.000 2.914 2.801 2.946 . 0 0 "[ . 1 . 2]" 1
888 1 70 TYR QB 1 72 HIS QB . . 5.500 5.565 4.669 6.089 0.589 18 2 "[ . 1 . + -]" 1
889 1 71 ARG H 1 71 ARG QG . . 4.500 3.770 2.083 4.203 . 0 0 "[ . 1 . 2]" 1
890 1 71 ARG HA 1 71 ARG QD . . 4.000 3.746 2.575 4.073 0.073 11 0 "[ . 1 . 2]" 1
891 1 71 ARG QB 1 71 ARG QD . . 3.500 2.055 1.941 2.184 . 0 0 "[ . 1 . 2]" 1
892 1 71 ARG H 1 71 ARG QB . . 3.500 2.696 2.186 3.413 . 0 0 "[ . 1 . 2]" 1
893 1 71 ARG HA 1 71 ARG QG . . 3.500 2.481 2.116 3.395 . 0 0 "[ . 1 . 2]" 1
894 1 71 ARG H 1 72 HIS HA . . 5.500 4.860 4.451 5.093 . 0 0 "[ . 1 . 2]" 1
895 1 71 ARG H 1 72 HIS H . . 3.000 2.583 1.935 3.018 0.018 18 0 "[ . 1 . 2]" 1
896 1 70 TYR HA 1 71 ARG H . . 4.000 3.487 3.045 3.536 . 0 0 "[ . 1 . 2]" 1
897 1 71 ARG H 1 71 ARG HA . . 3.000 2.915 2.775 2.947 . 0 0 "[ . 1 . 2]" 1
898 1 72 HIS HA 1 72 HIS HD2 . . 5.000 3.573 2.317 4.752 . 0 0 "[ . 1 . 2]" 1
899 1 72 HIS HA 1 72 HIS HE1 . . 6.500 4.949 4.486 5.476 . 0 0 "[ . 1 . 2]" 1
900 1 72 HIS H 1 73 ASN H . . 3.000 2.113 1.883 2.952 . 0 0 "[ . 1 . 2]" 1
901 1 72 HIS HA 1 73 ASN QB . . 5.000 4.702 4.515 4.923 . 0 0 "[ . 1 . 2]" 1
902 1 72 HIS QB 1 73 ASN QB . . 5.000 4.120 3.615 5.087 0.087 20 0 "[ . 1 . 2]" 1
903 1 72 HIS H 1 72 HIS HA . . 3.000 2.764 2.276 2.922 . 0 0 "[ . 1 . 2]" 1
904 1 69 ALA HA 1 73 ASN H . . 5.000 4.042 3.163 4.269 . 0 0 "[ . 1 . 2]" 1
905 1 70 TYR QB 1 73 ASN QB . . 5.500 5.642 5.510 5.821 0.321 16 0 "[ . 1 . 2]" 1
906 1 72 HIS HA 1 73 ASN H . . 4.000 2.899 2.783 3.141 . 0 0 "[ . 1 . 2]" 1
907 1 73 ASN H 1 73 ASN HA . . 3.000 2.903 2.804 2.947 . 0 0 "[ . 1 . 2]" 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 78
_Distance_constraint_stats_list.Viol_count 952
_Distance_constraint_stats_list.Viol_total 861.011
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0340
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0276
_Distance_constraint_stats_list.Viol_average_violations_only 0.0452
_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
1 5 ALA 0.281 0.057 17 0 "[ . 1 . 2]"
1 6 GLU 1.598 0.134 17 0 "[ . 1 . 2]"
1 7 PHE 0.671 0.067 17 0 "[ . 1 . 2]"
1 8 LYS 0.259 0.036 20 0 "[ . 1 . 2]"
1 9 GLN 1.523 0.119 20 0 "[ . 1 . 2]"
1 10 ARG 2.512 0.134 17 0 "[ . 1 . 2]"
1 11 LEU 0.919 0.067 17 0 "[ . 1 . 2]"
1 12 ALA 0.843 0.083 19 0 "[ . 1 . 2]"
1 13 ALA 3.377 0.119 20 0 "[ . 1 . 2]"
1 14 ILE 2.369 0.110 12 0 "[ . 1 . 2]"
1 15 LYS 0.280 0.060 20 0 "[ . 1 . 2]"
1 16 THR 1.439 0.138 19 0 "[ . 1 . 2]"
1 17 ARG 2.135 0.101 11 0 "[ . 1 . 2]"
1 18 CYS 1.455 0.110 12 0 "[ . 1 . 2]"
1 19 GLN 0.033 0.012 8 0 "[ . 1 . 2]"
1 20 ALA 0.854 0.138 19 0 "[ . 1 . 2]"
1 27 GLU 3.028 0.177 19 0 "[ . 1 . 2]"
1 28 CYS 2.188 0.101 19 0 "[ . 1 . 2]"
1 29 ALA 3.475 0.146 9 0 "[ . 1 . 2]"
1 30 ALA 0.163 0.026 12 0 "[ . 1 . 2]"
1 31 PHE 3.552 0.177 19 0 "[ . 1 . 2]"
1 32 GLU 3.256 0.101 19 0 "[ . 1 . 2]"
1 33 LYS 5.253 0.146 9 0 "[ . 1 . 2]"
1 34 GLU 1.332 0.100 7 0 "[ . 1 . 2]"
1 35 ILE 1.686 0.076 13 0 "[ . 1 . 2]"
1 36 ALA 3.498 0.137 4 0 "[ . 1 . 2]"
1 37 ALA 1.842 0.091 2 0 "[ . 1 . 2]"
1 38 PHE 1.746 0.100 7 0 "[ . 1 . 2]"
1 39 GLU 1.950 0.085 4 0 "[ . 1 . 2]"
1 40 SER 2.429 0.137 4 0 "[ . 1 . 2]"
1 41 GLU 0.063 0.017 19 0 "[ . 1 . 2]"
1 42 LEU 0.577 0.062 19 0 "[ . 1 . 2]"
1 43 GLN 0.788 0.085 4 0 "[ . 1 . 2]"
1 53 VAL 0.059 0.025 13 0 "[ . 1 . 2]"
1 54 GLU 1.370 0.128 14 0 "[ . 1 . 2]"
1 55 ALA 0.328 0.040 13 0 "[ . 1 . 2]"
1 56 LEU 0.410 0.051 6 0 "[ . 1 . 2]"
1 57 ARG 0.500 0.050 16 0 "[ . 1 . 2]"
1 58 LYS 3.009 0.128 14 0 "[ . 1 . 2]"
1 59 GLU 0.587 0.040 13 0 "[ . 1 . 2]"
1 60 ALA 1.252 0.077 15 0 "[ . 1 . 2]"
1 61 ALA 1.823 0.082 16 0 "[ . 1 . 2]"
1 62 ALA 4.053 0.111 6 0 "[ . 1 . 2]"
1 63 ILE 0.931 0.076 15 0 "[ . 1 . 2]"
1 64 ARG 3.233 0.123 19 0 "[ . 1 . 2]"
1 65 ASP 3.147 0.139 15 0 "[ . 1 . 2]"
1 66 GLU 2.807 0.111 6 0 "[ . 1 . 2]"
1 67 CYS 0.672 0.076 15 0 "[ . 1 . 2]"
1 68 GLN 2.392 0.123 19 0 "[ . 1 . 2]"
1 69 ALA 1.764 0.139 15 0 "[ . 1 . 2]"
1 70 TYR 0.393 0.080 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 ALA O 1 9 GLN H . . 2.000 1.997 1.862 2.057 0.057 17 0 "[ . 1 . 2]" 2
2 1 5 ALA O 1 9 GLN N . . 3.000 2.918 2.793 2.983 . 0 0 "[ . 1 . 2]" 2
3 1 6 GLU O 1 10 ARG H . . 2.000 2.055 2.007 2.134 0.134 17 0 "[ . 1 . 2]" 2
4 1 6 GLU O 1 10 ARG N . . 3.000 3.023 2.976 3.064 0.064 17 0 "[ . 1 . 2]" 2
5 1 7 PHE O 1 11 LEU H . . 2.000 2.033 2.002 2.067 0.067 17 0 "[ . 1 . 2]" 2
6 1 7 PHE O 1 11 LEU N . . 3.000 2.949 2.896 3.015 0.015 17 0 "[ . 1 . 2]" 2
7 1 8 LYS O 1 12 ALA H . . 2.000 2.006 1.921 2.036 0.036 20 0 "[ . 1 . 2]" 2
8 1 8 LYS O 1 12 ALA N . . 3.000 2.874 2.801 2.947 . 0 0 "[ . 1 . 2]" 2
9 1 9 GLN O 1 13 ALA H . . 2.000 2.052 2.018 2.119 0.119 20 0 "[ . 1 . 2]" 2
10 1 9 GLN O 1 13 ALA N . . 3.000 3.000 2.965 3.063 0.063 20 0 "[ . 1 . 2]" 2
11 1 10 ARG O 1 14 ILE H . . 2.000 2.041 1.987 2.082 0.082 19 0 "[ . 1 . 2]" 2
12 1 10 ARG O 1 14 ILE N . . 3.000 2.982 2.931 3.036 0.036 19 0 "[ . 1 . 2]" 2
13 1 11 LEU O 1 15 LYS H . . 2.000 2.003 1.912 2.060 0.060 20 0 "[ . 1 . 2]" 2
14 1 11 LEU O 1 15 LYS N . . 3.000 2.915 2.809 2.990 . 0 0 "[ . 1 . 2]" 2
15 1 12 ALA O 1 16 THR H . . 2.000 2.021 1.946 2.083 0.083 19 0 "[ . 1 . 2]" 2
16 1 12 ALA O 1 16 THR N . . 3.000 2.955 2.861 3.032 0.032 19 0 "[ . 1 . 2]" 2
17 1 13 ALA O 1 17 ARG H . . 2.000 2.066 2.025 2.101 0.101 11 0 "[ . 1 . 2]" 2
18 1 13 ALA O 1 17 ARG N . . 3.000 3.041 2.993 3.078 0.078 11 0 "[ . 1 . 2]" 2
19 1 14 ILE O 1 18 CYS H . . 2.000 2.071 2.036 2.110 0.110 12 0 "[ . 1 . 2]" 2
20 1 14 ILE O 1 18 CYS N . . 3.000 2.896 2.833 3.027 0.027 16 0 "[ . 1 . 2]" 2
21 1 15 LYS O 1 19 GLN H . . 2.000 1.915 1.805 2.012 0.012 8 0 "[ . 1 . 2]" 2
22 1 15 LYS O 1 19 GLN N . . 3.000 2.785 2.725 2.855 . 0 0 "[ . 1 . 2]" 2
23 1 16 THR O 1 20 ALA H . . 2.000 2.036 1.985 2.138 0.138 19 0 "[ . 1 . 2]" 2
24 1 16 THR O 1 20 ALA N . . 3.000 2.967 2.879 3.086 0.086 19 0 "[ . 1 . 2]" 2
25 1 27 GLU O 1 31 PHE H . . 2.000 2.124 2.085 2.177 0.177 19 0 "[ . 1 . 2]" 2
26 1 27 GLU O 1 31 PHE N . . 3.000 3.026 2.986 3.104 0.104 19 0 "[ . 1 . 2]" 2
27 1 28 CYS O 1 32 GLU H . . 2.000 2.076 2.055 2.101 0.101 19 0 "[ . 1 . 2]" 2
28 1 28 CYS O 1 32 GLU N . . 3.000 3.033 3.015 3.064 0.064 5 0 "[ . 1 . 2]" 2
29 1 29 ALA O 1 33 LYS H . . 2.000 2.101 2.049 2.146 0.146 9 0 "[ . 1 . 2]" 2
30 1 29 ALA O 1 33 LYS N . . 3.000 3.073 3.018 3.122 0.122 9 0 "[ . 1 . 2]" 2
31 1 30 ALA O 1 34 GLU H . . 2.000 1.957 1.819 2.026 0.026 12 0 "[ . 1 . 2]" 2
32 1 30 ALA O 1 34 GLU N . . 3.000 2.905 2.736 2.998 . 0 0 "[ . 1 . 2]" 2
33 1 31 PHE O 1 35 ILE H . . 2.000 1.931 1.779 2.068 0.068 10 0 "[ . 1 . 2]" 2
34 1 31 PHE O 1 35 ILE N . . 3.000 2.886 2.710 3.030 0.030 10 0 "[ . 1 . 2]" 2
35 1 32 GLU O 1 36 ALA H . . 2.000 2.051 2.003 2.095 0.095 5 0 "[ . 1 . 2]" 2
36 1 32 GLU O 1 36 ALA N . . 3.000 2.969 2.899 3.019 0.019 9 0 "[ . 1 . 2]" 2
37 1 33 LYS O 1 37 ALA H . . 2.000 2.063 2.012 2.091 0.091 2 0 "[ . 1 . 2]" 2
38 1 33 LYS O 1 37 ALA N . . 3.000 3.021 2.973 3.048 0.048 2 0 "[ . 1 . 2]" 2
39 1 34 GLU O 1 38 PHE H . . 2.000 2.058 2.022 2.100 0.100 7 0 "[ . 1 . 2]" 2
40 1 34 GLU O 1 38 PHE N . . 3.000 2.930 2.871 3.003 0.003 19 0 "[ . 1 . 2]" 2
41 1 35 ILE O 1 39 GLU H . . 2.000 2.037 1.943 2.076 0.076 13 0 "[ . 1 . 2]" 2
42 1 35 ILE O 1 39 GLU N . . 3.000 3.010 2.919 3.047 0.047 13 0 "[ . 1 . 2]" 2
43 1 36 ALA O 1 40 SER H . . 2.000 2.104 2.088 2.137 0.137 4 0 "[ . 1 . 2]" 2
44 1 36 ALA O 1 40 SER N . . 3.000 3.017 2.997 3.059 0.059 4 0 "[ . 1 . 2]" 2
45 1 37 ALA O 1 41 GLU H . . 2.000 1.983 1.895 2.017 0.017 19 0 "[ . 1 . 2]" 2
46 1 37 ALA O 1 41 GLU N . . 3.000 2.756 2.724 2.820 . 0 0 "[ . 1 . 2]" 2
47 1 38 PHE O 1 42 LEU H . . 2.000 2.029 2.003 2.062 0.062 19 0 "[ . 1 . 2]" 2
48 1 38 PHE O 1 42 LEU N . . 3.000 2.885 2.789 2.955 . 0 0 "[ . 1 . 2]" 2
49 1 39 GLU O 1 43 GLN H . . 2.000 2.039 2.017 2.085 0.085 4 0 "[ . 1 . 2]" 2
50 1 39 GLU O 1 43 GLN N . . 3.000 2.892 2.802 2.970 . 0 0 "[ . 1 . 2]" 2
51 1 53 VAL O 1 57 ARG H . . 2.000 1.914 1.791 2.025 0.025 13 0 "[ . 1 . 2]" 2
52 1 53 VAL O 1 57 ARG N . . 3.000 2.837 2.722 2.943 . 0 0 "[ . 1 . 2]" 2
53 1 54 GLU O 1 58 LYS H . . 2.000 2.064 2.023 2.128 0.128 14 0 "[ . 1 . 2]" 2
54 1 54 GLU O 1 58 LYS N . . 3.000 2.978 2.878 3.042 0.042 16 0 "[ . 1 . 2]" 2
55 1 55 ALA O 1 59 GLU H . . 2.000 1.992 1.799 2.040 0.040 13 0 "[ . 1 . 2]" 2
56 1 55 ALA O 1 59 GLU N . . 3.000 2.962 2.752 3.017 0.017 8 0 "[ . 1 . 2]" 2
57 1 56 LEU O 1 60 ALA H . . 2.000 2.002 1.893 2.051 0.051 6 0 "[ . 1 . 2]" 2
58 1 56 LEU O 1 60 ALA N . . 3.000 2.940 2.829 3.017 0.017 6 0 "[ . 1 . 2]" 2
59 1 57 ARG O 1 61 ALA H . . 2.000 2.011 1.879 2.050 0.050 16 0 "[ . 1 . 2]" 2
60 1 57 ARG O 1 61 ALA N . . 3.000 2.969 2.839 3.010 0.010 12 0 "[ . 1 . 2]" 2
61 1 58 LYS O 1 62 ALA H . . 2.000 2.067 2.049 2.097 0.097 19 0 "[ . 1 . 2]" 2
62 1 58 LYS O 1 62 ALA N . . 3.000 3.014 2.987 3.046 0.046 19 0 "[ . 1 . 2]" 2
63 1 59 GLU O 1 63 ILE H . . 2.000 2.007 1.952 2.034 0.034 3 0 "[ . 1 . 2]" 2
64 1 59 GLU O 1 63 ILE N . . 3.000 2.957 2.884 2.990 . 0 0 "[ . 1 . 2]" 2
65 1 60 ALA O 1 64 ARG H . . 2.000 2.041 2.020 2.077 0.077 15 0 "[ . 1 . 2]" 2
66 1 60 ALA O 1 64 ARG N . . 3.000 2.994 2.972 3.008 0.008 9 0 "[ . 1 . 2]" 2
67 1 61 ALA O 1 65 ASP H . . 2.000 2.056 2.038 2.082 0.082 16 0 "[ . 1 . 2]" 2
68 1 61 ALA O 1 65 ASP N . . 3.000 3.010 2.955 3.043 0.043 16 0 "[ . 1 . 2]" 2
69 1 62 ALA O 1 66 GLU H . . 2.000 2.088 2.075 2.111 0.111 6 0 "[ . 1 . 2]" 2
70 1 62 ALA O 1 66 GLU N . . 3.000 3.033 3.020 3.054 0.054 6 0 "[ . 1 . 2]" 2
71 1 63 ILE O 1 67 CYS H . . 2.000 2.030 1.976 2.076 0.076 15 0 "[ . 1 . 2]" 2
72 1 63 ILE O 1 67 CYS N . . 3.000 2.989 2.926 3.018 0.018 15 0 "[ . 1 . 2]" 2
73 1 64 ARG O 1 68 GLN H . . 2.000 2.095 2.070 2.123 0.123 19 0 "[ . 1 . 2]" 2
74 1 64 ARG O 1 68 GLN N . . 3.000 3.021 2.917 3.069 0.069 19 0 "[ . 1 . 2]" 2
75 1 65 ASP O 1 69 ALA H . . 2.000 2.088 2.022 2.139 0.139 15 0 "[ . 1 . 2]" 2
76 1 65 ASP O 1 69 ALA N . . 3.000 2.895 2.816 2.986 . 0 0 "[ . 1 . 2]" 2
77 1 66 GLU O 1 70 TYR H . . 2.500 2.451 1.920 2.536 0.036 11 0 "[ . 1 . 2]" 2
78 1 66 GLU O 1 70 TYR N . . 3.000 2.996 2.851 3.080 0.080 16 0 "[ . 1 . 2]" 2
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