NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
377639 |
1gcc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gcc
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 786
_Distance_constraint_stats_list.Viol_count 27
_Distance_constraint_stats_list.Viol_total 7.301
_Distance_constraint_stats_list.Viol_max 0.964
_Distance_constraint_stats_list.Viol_rms 0.0659
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.2704
_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
3 1 LYS 0.000 0.000 . 0 "[ ]"
3 2 HIS 0.000 0.000 . 0 "[ ]"
3 3 TYR 0.230 0.137 1 0 "[ ]"
3 4 ARG 0.000 0.000 . 0 "[ ]"
3 5 GLY 0.000 0.000 . 0 "[ ]"
3 6 VAL 0.000 0.000 . 0 "[ ]"
3 7 ARG 0.631 0.416 1 0 "[ ]"
3 8 GLN 0.216 0.216 1 0 "[ ]"
3 9 ARG 0.364 0.283 1 0 "[ ]"
3 10 PRO 0.000 0.000 . 0 "[ ]"
3 11 TRP 0.000 0.000 . 0 "[ ]"
3 12 GLY 0.081 0.081 1 0 "[ ]"
3 13 LYS 0.000 0.000 . 0 "[ ]"
3 14 PHE 0.283 0.283 1 0 "[ ]"
3 15 ALA 0.416 0.416 1 0 "[ ]"
3 16 ALA 0.000 0.000 . 0 "[ ]"
3 17 GLU 0.000 0.000 . 0 "[ ]"
3 18 ILE 0.000 0.000 . 0 "[ ]"
3 19 ARG 0.000 0.000 . 0 "[ ]"
3 20 ASP 0.000 0.000 . 0 "[ ]"
3 21 PRO 0.182 0.182 1 0 "[ ]"
3 22 ALA 0.182 0.182 1 0 "[ ]"
3 23 LYS 0.933 0.532 1 1 [+]
3 24 ASN 0.064 0.064 1 0 "[ ]"
3 25 GLY 0.000 0.000 . 0 "[ ]"
3 26 ALA 0.000 0.000 . 0 "[ ]"
3 27 ARG 0.000 0.000 . 0 "[ ]"
3 28 VAL 0.000 0.000 . 0 "[ ]"
3 29 TRP 0.000 0.000 . 0 "[ ]"
3 30 LEU 0.772 0.772 1 1 [+]
3 31 GLY 0.772 0.772 1 1 [+]
3 32 THR 0.183 0.183 1 0 "[ ]"
3 33 PHE 0.361 0.361 1 0 "[ ]"
3 34 GLU 0.066 0.066 1 0 "[ ]"
3 35 THR 0.427 0.361 1 0 "[ ]"
3 36 ALA 0.000 0.000 . 0 "[ ]"
3 37 GLU 0.000 0.000 . 0 "[ ]"
3 38 ASP 0.000 0.000 . 0 "[ ]"
3 39 ALA 0.000 0.000 . 0 "[ ]"
3 40 ALA 0.000 0.000 . 0 "[ ]"
3 41 LEU 0.257 0.216 1 0 "[ ]"
3 42 ALA 0.277 0.204 1 0 "[ ]"
3 43 TYR 0.000 0.000 . 0 "[ ]"
3 44 ASP 0.000 0.000 . 0 "[ ]"
3 45 ARG 0.403 0.204 1 0 "[ ]"
3 46 ALA 0.126 0.126 1 0 "[ ]"
3 47 ALA 0.000 0.000 . 0 "[ ]"
3 48 PHE 1.282 0.964 1 1 [+]
3 49 ARG 0.113 0.113 1 0 "[ ]"
3 50 MET 0.000 0.000 . 0 "[ ]"
3 51 ARG 0.000 0.000 . 0 "[ ]"
3 52 GLY 0.204 0.204 1 0 "[ ]"
3 53 SER 0.000 0.000 . 0 "[ ]"
3 54 ARG 0.000 0.000 . 0 "[ ]"
3 55 ALA 0.964 0.964 1 1 [+]
3 56 LEU 0.700 0.605 1 1 [+]
3 57 LEU 0.668 0.668 1 1 [+]
3 58 ASN 0.269 0.269 1 0 "[ ]"
3 59 PHE 1.115 0.668 1 1 [+]
3 60 PRO 0.000 0.000 . 0 "[ ]"
3 61 LEU 0.000 0.000 . 0 "[ ]"
3 62 ARG 0.000 0.000 . 0 "[ ]"
3 63 VAL 0.000 0.000 . 0 "[ ]"
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 3 2 HIS H 3 2 HIS HA 3.000 . 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
2 3 2 HIS H 3 2 HIS QB 3.000 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
3 3 3 TYR H 3 3 TYR HB3 4.000 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
4 3 3 TYR H 3 3 TYR HB2 3.000 . 3.500 2.722 2.722 2.722 . 0 0 "[ ]" 1
5 3 3 TYR H 3 3 TYR QD 3.000 . 3.500 3.593 3.593 3.593 0.093 1 0 "[ ]" 1
6 3 3 TYR HA 3 3 TYR HB3 3.000 . 3.500 2.546 2.546 2.546 . 0 0 "[ ]" 1
7 3 3 TYR HA 3 3 TYR QD 3.000 . 3.500 2.713 2.713 2.713 . 0 0 "[ ]" 1
8 3 3 TYR HB3 3 3 TYR QD 3.000 . 3.500 2.550 2.550 2.550 . 0 0 "[ ]" 1
9 3 3 TYR HB2 3 3 TYR QD 3.000 . 3.500 2.325 2.325 2.325 . 0 0 "[ ]" 1
10 3 4 ARG H 3 4 ARG QB 3.000 . 3.500 2.533 2.533 2.533 . 0 0 "[ ]" 1
11 3 4 ARG QB 3 4 ARG HE 4.000 . 5.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
12 3 4 ARG HE 3 4 ARG QG 3.000 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
13 3 4 ARG QB 3 4 ARG QD 3.000 . 3.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
14 3 6 VAL H 3 6 VAL HB 3.000 . 3.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
15 3 6 VAL H 3 6 VAL MG1 4.000 . 5.000 3.801 3.801 3.801 . 0 0 "[ ]" 1
16 3 6 VAL H 3 6 VAL MG2 4.000 . 5.000 2.375 2.375 2.375 . 0 0 "[ ]" 1
17 3 6 VAL HA 3 6 VAL HB 3.000 . 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
18 3 7 ARG H 3 7 ARG HB3 4.000 . 5.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
19 3 7 ARG H 3 7 ARG HB2 4.000 . 5.000 2.524 2.524 2.524 . 0 0 "[ ]" 1
20 3 7 ARG H 3 7 ARG QG 4.000 . 5.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
21 3 7 ARG HA 3 7 ARG HB3 3.000 . 3.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
22 3 7 ARG HA 3 7 ARG HB2 3.000 . 3.500 3.043 3.043 3.043 . 0 0 "[ ]" 1
23 3 7 ARG HA 3 7 ARG QG 3.000 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1
24 3 7 ARG HB3 3 7 ARG HE 3.000 . 3.500 1.944 1.944 1.944 . 0 0 "[ ]" 1
25 3 7 ARG HB2 3 7 ARG HE 4.000 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
26 3 7 ARG HB2 3 7 ARG QG 2.500 . 2.800 2.416 2.416 2.416 . 0 0 "[ ]" 1
27 3 7 ARG HB2 3 7 ARG QD 3.000 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
28 3 7 ARG HE 3 7 ARG QG 3.000 . 3.500 2.436 2.436 2.436 . 0 0 "[ ]" 1
29 3 8 GLN H 3 8 GLN QG 4.000 . 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
30 3 9 ARG H 3 9 ARG QG 4.000 . 5.000 3.923 3.923 3.923 . 0 0 "[ ]" 1
31 3 9 ARG QB 3 9 ARG HE 4.000 . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
32 3 11 TRP H 3 11 TRP HD1 4.000 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
33 3 11 TRP H 3 11 TRP HE3 3.000 . 3.500 2.795 2.795 2.795 . 0 0 "[ ]" 1
34 3 11 TRP H 3 11 TRP HZ3 5.000 . 6.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
35 3 11 TRP HA 3 11 TRP HE3 4.000 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
36 3 11 TRP QB 3 11 TRP HE3 3.000 . 3.500 2.511 2.511 2.511 . 0 0 "[ ]" 1
37 3 13 LYS H 3 13 LYS QG 4.000 . 5.000 4.170 4.170 4.170 . 0 0 "[ ]" 1
38 3 13 LYS HA 3 13 LYS QG 3.000 . 3.500 2.150 2.150 2.150 . 0 0 "[ ]" 1
39 3 14 PHE H 3 14 PHE HB3 4.000 . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
40 3 14 PHE H 3 14 PHE HB2 3.000 . 3.500 2.544 2.544 2.544 . 0 0 "[ ]" 1
41 3 14 PHE H 3 14 PHE QD 3.000 . 3.500 2.914 2.914 2.914 . 0 0 "[ ]" 1
42 3 14 PHE HA 3 14 PHE QD 4.000 . 5.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
43 3 14 PHE HA 3 14 PHE QE 5.000 . 6.000 4.546 4.546 4.546 . 0 0 "[ ]" 1
44 3 14 PHE HB3 3 14 PHE QD 3.000 . 3.500 2.486 2.486 2.486 . 0 0 "[ ]" 1
45 3 14 PHE HB3 3 14 PHE QE 4.000 . 5.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
46 3 14 PHE HB2 3 14 PHE QD 3.000 . 3.500 2.392 2.392 2.392 . 0 0 "[ ]" 1
47 3 14 PHE HB2 3 14 PHE QE 4.000 . 5.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
48 3 17 GLU H 3 17 GLU QG 4.000 . 5.000 3.062 3.062 3.062 . 0 0 "[ ]" 1
49 3 17 GLU HA 3 17 GLU QG 3.000 . 3.500 2.367 2.367 2.367 . 0 0 "[ ]" 1
50 3 18 ILE H 3 18 ILE HB 4.000 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
51 3 18 ILE H 3 18 ILE HG13 4.000 . 5.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
52 3 18 ILE H 3 18 ILE HG12 4.000 . 5.000 4.614 4.614 4.614 . 0 0 "[ ]" 1
53 3 18 ILE H 3 18 ILE MG 4.000 . 5.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
54 3 18 ILE H 3 18 ILE MD 5.000 . 6.000 4.825 4.825 4.825 . 0 0 "[ ]" 1
55 3 18 ILE HA 3 18 ILE HB 3.000 . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
56 3 18 ILE HA 3 18 ILE HG13 3.000 . 3.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
57 3 18 ILE HA 3 18 ILE HG12 3.000 . 3.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
58 3 18 ILE HB 3 18 ILE HG13 2.500 . 2.800 2.594 2.594 2.594 . 0 0 "[ ]" 1
59 3 18 ILE HB 3 18 ILE HG12 3.000 . 3.500 3.047 3.047 3.047 . 0 0 "[ ]" 1
60 3 18 ILE HB 3 18 ILE MD 3.000 . 3.500 2.224 2.224 2.224 . 0 0 "[ ]" 1
61 3 19 ARG H 3 19 ARG QB 3.000 . 3.500 2.404 2.404 2.404 . 0 0 "[ ]" 1
62 3 19 ARG H 3 19 ARG QG 4.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
63 3 19 ARG QB 3 19 ARG HE 4.000 . 5.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
64 3 19 ARG QB 3 19 ARG QD 3.000 . 3.500 2.337 2.337 2.337 . 0 0 "[ ]" 1
65 3 20 ASP H 3 20 ASP HB3 3.000 . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
66 3 20 ASP H 3 20 ASP HB2 3.000 . 3.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
67 3 20 ASP HA 3 20 ASP HB2 3.000 . 3.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
68 3 22 ALA H 3 22 ALA HA 3.000 . 3.500 2.896 2.896 2.896 . 0 0 "[ ]" 1
69 3 22 ALA H 3 22 ALA MB 3.000 . 3.500 2.224 2.224 2.224 . 0 0 "[ ]" 1
70 3 23 LYS H 3 23 LYS HA 3.000 . 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
71 3 23 LYS H 3 23 LYS HB3 3.000 . 3.500 3.597 3.597 3.597 0.097 1 0 "[ ]" 1
72 3 23 LYS H 3 23 LYS HB2 3.000 . 3.500 2.424 2.424 2.424 . 0 0 "[ ]" 1
73 3 23 LYS H 3 23 LYS QG 4.000 . 5.000 2.378 2.378 2.378 . 0 0 "[ ]" 1
74 3 23 LYS HA 3 23 LYS HB3 3.000 . 3.500 2.464 2.464 2.464 . 0 0 "[ ]" 1
75 3 23 LYS HA 3 23 LYS HB2 2.500 . 2.800 3.041 3.041 3.041 0.241 1 0 "[ ]" 1
76 3 23 LYS HA 3 23 LYS QG 3.000 . 3.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
77 3 23 LYS HA 3 23 LYS QD 3.000 . 3.500 4.032 4.032 4.032 0.532 1 1 [+] 1
78 3 23 LYS HB3 3 23 LYS QG 2.500 . 2.800 2.370 2.370 2.370 . 0 0 "[ ]" 1
79 3 23 LYS HB3 3 23 LYS QE 4.000 . 5.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
80 3 23 LYS HB2 3 23 LYS QD 3.000 . 3.500 2.421 2.421 2.421 . 0 0 "[ ]" 1
81 3 23 LYS HB2 3 23 LYS QE 4.000 . 5.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
82 3 24 ASN H 3 24 ASN HA 2.500 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 1
83 3 24 ASN H 3 24 ASN QB 3.000 . 3.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
84 3 26 ALA H 3 26 ALA HA 3.000 . 3.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
85 3 26 ALA H 3 26 ALA MB 3.000 . 3.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
86 3 27 ARG H 3 27 ARG QB 3.000 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
87 3 27 ARG H 3 27 ARG QG 3.000 . 3.500 1.967 1.967 1.967 . 0 0 "[ ]" 1
88 3 28 VAL H 3 28 VAL HB 3.000 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
89 3 28 VAL H 3 28 VAL MG2 4.000 . 5.000 3.049 3.049 3.049 . 0 0 "[ ]" 1
90 3 28 VAL HA 3 28 VAL HB 3.000 . 3.500 3.055 3.055 3.055 . 0 0 "[ ]" 1
91 3 29 TRP H 3 29 TRP HB3 3.000 . 3.500 2.465 2.465 2.465 . 0 0 "[ ]" 1
92 3 29 TRP H 3 29 TRP HB2 3.000 . 3.500 2.436 2.436 2.436 . 0 0 "[ ]" 1
93 3 29 TRP H 3 29 TRP HD1 5.000 . 6.000 4.867 4.867 4.867 . 0 0 "[ ]" 1
94 3 29 TRP HA 3 29 TRP HD1 4.000 . 5.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
95 3 29 TRP HA 3 29 TRP HE3 3.000 . 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 1
96 3 29 TRP HB3 3 29 TRP HD1 3.000 . 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
97 3 29 TRP HB3 3 29 TRP HE1 5.000 . 6.000 4.788 4.788 4.788 . 0 0 "[ ]" 1
98 3 29 TRP HB3 3 29 TRP HE3 4.000 . 5.000 4.121 4.121 4.121 . 0 0 "[ ]" 1
99 3 29 TRP HB2 3 29 TRP HE1 5.000 . 6.000 5.248 5.248 5.248 . 0 0 "[ ]" 1
100 3 29 TRP HB2 3 29 TRP HE3 3.000 . 3.500 2.570 2.570 2.570 . 0 0 "[ ]" 1
101 3 30 LEU H 3 30 LEU QB . . 3.500 2.529 2.529 2.529 . 0 0 "[ ]" 1
102 3 30 LEU H 3 30 LEU HG 3.000 . 3.500 1.902 1.902 1.902 . 0 0 "[ ]" 1
103 3 30 LEU H 3 30 LEU MD1 5.000 . 6.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
104 3 30 LEU H 3 30 LEU MD2 5.000 . 6.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
105 3 30 LEU HA 3 30 LEU HG 3.000 . 3.500 3.347 3.347 3.347 . 0 0 "[ ]" 1
106 3 30 LEU HA 3 30 LEU MD2 3.000 . 3.500 2.210 2.210 2.210 . 0 0 "[ ]" 1
107 3 30 LEU QB 3 30 LEU MD1 3.000 . 3.500 2.113 2.113 2.113 . 0 0 "[ ]" 1
108 3 30 LEU QB 3 30 LEU MD2 3.000 . 3.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
109 3 32 THR H 3 32 THR HB 3.000 . 3.500 3.683 3.683 3.683 0.183 1 0 "[ ]" 1
110 3 33 PHE H 3 33 PHE HB3 4.000 . 5.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
111 3 33 PHE H 3 33 PHE HB2 4.000 . 5.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
112 3 33 PHE H 3 33 PHE QD 4.000 . 5.000 2.705 2.705 2.705 . 0 0 "[ ]" 1
113 3 33 PHE H 3 33 PHE QE 5.000 . 6.000 4.653 4.653 4.653 . 0 0 "[ ]" 1
114 3 33 PHE HA 3 33 PHE HB2 3.000 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
115 3 33 PHE HA 3 33 PHE QD 4.000 . 5.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
116 3 33 PHE HA 3 33 PHE QE 5.000 . 6.000 4.754 4.754 4.754 . 0 0 "[ ]" 1
117 3 33 PHE HB3 3 33 PHE QD 3.000 . 3.500 2.477 2.477 2.477 . 0 0 "[ ]" 1
118 3 33 PHE HB3 3 33 PHE QE 4.000 . 5.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
119 3 33 PHE HB2 3 33 PHE QD 3.000 . 3.500 2.436 2.436 2.436 . 0 0 "[ ]" 1
120 3 33 PHE HB2 3 33 PHE QE 4.000 . 5.000 4.470 4.470 4.470 . 0 0 "[ ]" 1
121 3 34 GLU H 3 34 GLU QB 3.000 . 3.500 2.344 2.344 2.344 . 0 0 "[ ]" 1
122 3 34 GLU H 3 34 GLU QG 3.000 . 3.500 2.342 2.342 2.342 . 0 0 "[ ]" 1
123 3 34 GLU HA 3 34 GLU QG 3.000 . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 1
124 3 35 THR H 3 35 THR HB 4.000 . 5.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
125 3 35 THR H 3 35 THR MG 4.000 . 5.000 2.666 2.666 2.666 . 0 0 "[ ]" 1
126 3 36 ALA H 3 36 ALA HA 3.000 . 3.500 2.854 2.854 2.854 . 0 0 "[ ]" 1
127 3 36 ALA H 3 36 ALA MB 3.000 . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
128 3 37 GLU H 3 37 GLU HA 3.000 . 3.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
129 3 37 GLU H 3 37 GLU QB . . 3.500 2.618 2.618 2.618 . 0 0 "[ ]" 1
130 3 37 GLU H 3 37 GLU QG 4.000 . 5.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
131 3 37 GLU HA 3 37 GLU QG 3.000 . 3.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
132 3 38 ASP H 3 38 ASP HA 3.000 . 3.500 2.958 2.958 2.958 . 0 0 "[ ]" 1
133 3 38 ASP H 3 38 ASP HB2 4.000 . 5.000 2.682 2.682 2.682 . 0 0 "[ ]" 1
134 3 38 ASP H 3 38 ASP HB3 4.000 . 5.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
135 3 38 ASP HA 3 38 ASP HB2 2.500 . 2.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
136 3 38 ASP HA 3 38 ASP HB3 3.000 . 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
137 3 39 ALA H 3 39 ALA HA 3.000 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
138 3 39 ALA H 3 39 ALA MB 3.000 . 3.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
139 3 40 ALA H 3 40 ALA HA 3.000 . 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
140 3 40 ALA H 3 40 ALA MB 3.000 . 3.500 2.096 2.096 2.096 . 0 0 "[ ]" 1
141 3 41 LEU H 3 41 LEU HA 3.000 . 3.500 2.882 2.882 2.882 . 0 0 "[ ]" 1
142 3 41 LEU H 3 41 LEU HB3 3.000 . 3.500 2.553 2.553 2.553 . 0 0 "[ ]" 1
143 3 41 LEU H 3 41 LEU HB2 3.000 . 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
144 3 41 LEU H 3 41 LEU HG 4.000 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
145 3 41 LEU HA 3 41 LEU HG 2.500 . 2.800 2.307 2.307 2.307 . 0 0 "[ ]" 1
146 3 41 LEU HA 3 41 LEU QD 4.000 . 5.000 3.023 3.023 3.023 . 0 0 "[ ]" 1
147 3 41 LEU HB3 3 41 LEU HG 2.500 . 2.800 3.016 3.016 3.016 0.216 1 0 "[ ]" 1
148 3 41 LEU HB3 3 41 LEU QD 3.000 . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
149 3 41 LEU HB2 3 41 LEU HG 3.000 . 3.500 2.717 2.717 2.717 . 0 0 "[ ]" 1
150 3 41 LEU HB2 3 41 LEU QD 2.500 . 2.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
151 3 42 ALA H 3 42 ALA HA 3.000 . 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
152 3 42 ALA H 3 42 ALA MB 3.000 . 3.500 2.289 2.289 2.289 . 0 0 "[ ]" 1
153 3 43 TYR H 3 43 TYR HA 3.000 . 3.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
154 3 43 TYR H 3 43 TYR HB3 3.000 . 3.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
155 3 43 TYR H 3 43 TYR HB2 3.000 . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
156 3 43 TYR HA 3 43 TYR HB3 3.000 . 3.500 3.040 3.040 3.040 . 0 0 "[ ]" 1
157 3 43 TYR HA 3 43 TYR HB2 3.000 . 3.500 2.450 2.450 2.450 . 0 0 "[ ]" 1
158 3 43 TYR HA 3 43 TYR QD 4.000 . 5.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
159 3 43 TYR HA 3 43 TYR QE 5.000 . 6.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
160 3 43 TYR HB3 3 43 TYR QD 3.000 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
161 3 43 TYR HB3 3 43 TYR QE 4.000 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
162 3 43 TYR HB2 3 43 TYR QD 3.000 . 3.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
163 3 43 TYR HB2 3 43 TYR QE 4.000 . 5.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
164 3 44 ASP H 3 44 ASP HA 3.000 . 3.500 2.732 2.732 2.732 . 0 0 "[ ]" 1
165 3 44 ASP H 3 44 ASP HB3 3.000 . 3.500 2.787 2.787 2.787 . 0 0 "[ ]" 1
166 3 44 ASP H 3 44 ASP HB2 3.000 . 3.500 2.200 2.200 2.200 . 0 0 "[ ]" 1
167 3 44 ASP HA 3 44 ASP HB2 3.000 . 3.500 2.550 2.550 2.550 . 0 0 "[ ]" 1
168 3 45 ARG H 3 45 ARG QB 2.500 . 2.800 2.358 2.358 2.358 . 0 0 "[ ]" 1
169 3 45 ARG H 3 45 ARG QG 4.000 . 5.000 2.529 2.529 2.529 . 0 0 "[ ]" 1
170 3 45 ARG HA 3 45 ARG QB 2.500 . 2.800 2.408 2.408 2.408 . 0 0 "[ ]" 1
171 3 45 ARG HA 3 45 ARG QG 3.000 . 3.500 2.438 2.438 2.438 . 0 0 "[ ]" 1
172 3 45 ARG QB 3 45 ARG HE 4.000 . 5.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
173 3 45 ARG HE 3 45 ARG QG 2.500 . 2.800 2.208 2.208 2.208 . 0 0 "[ ]" 1
174 3 45 ARG QB 3 45 ARG QD 3.000 . 3.500 2.166 2.166 2.166 . 0 0 "[ ]" 1
175 3 46 ALA H 3 46 ALA HA 3.000 . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 1
176 3 46 ALA H 3 46 ALA MB 3.000 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
177 3 47 ALA H 3 47 ALA HA 3.000 . 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
178 3 47 ALA H 3 47 ALA MB 3.000 . 3.500 2.263 2.263 2.263 . 0 0 "[ ]" 1
179 3 48 PHE H 3 48 PHE HB3 3.000 . 3.500 3.038 3.038 3.038 . 0 0 "[ ]" 1
180 3 48 PHE H 3 48 PHE HB2 3.000 . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
181 3 48 PHE H 3 48 PHE QD 5.000 . 6.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
182 3 48 PHE HA 3 48 PHE QD 3.000 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
183 3 48 PHE HA 3 48 PHE QE 5.000 . 6.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
184 3 48 PHE HB3 3 48 PHE QD 3.000 . 3.500 2.557 2.557 2.557 . 0 0 "[ ]" 1
185 3 48 PHE HB3 3 48 PHE QE 4.000 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
186 3 48 PHE HB2 3 48 PHE QD 3.000 . 3.500 2.324 2.324 2.324 . 0 0 "[ ]" 1
187 3 48 PHE HB2 3 48 PHE QE 4.000 . 5.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
188 3 49 ARG H 3 49 ARG QB 2.500 . 2.800 2.396 2.396 2.396 . 0 0 "[ ]" 1
189 3 49 ARG H 3 49 ARG QG 3.000 . 3.500 2.523 2.523 2.523 . 0 0 "[ ]" 1
190 3 49 ARG HA 3 49 ARG QG 3.000 . 3.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
191 3 49 ARG QB 3 49 ARG HE 4.000 . 5.000 2.384 2.384 2.384 . 0 0 "[ ]" 1
192 3 49 ARG QB 3 49 ARG QD 3.000 . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
193 3 50 MET H 3 50 MET HA 3.000 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
194 3 50 MET H 3 50 MET ME 4.000 . 5.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
195 3 50 MET H 3 50 MET QB 2.500 . 2.800 2.564 2.564 2.564 . 0 0 "[ ]" 1
196 3 50 MET H 3 50 MET QG 3.000 . 3.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
197 3 50 MET HA 3 50 MET ME 4.000 . 5.000 4.220 4.220 4.220 . 0 0 "[ ]" 1
198 3 50 MET QB 3 50 MET ME 2.500 . 2.800 2.086 2.086 2.086 . 0 0 "[ ]" 1
199 3 50 MET ME 3 50 MET QG 3.000 . 3.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
200 3 51 ARG H 3 51 ARG QB 3.000 . 3.500 2.346 2.346 2.346 . 0 0 "[ ]" 1
201 3 51 ARG H 3 51 ARG QG 3.000 . 3.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
202 3 51 ARG HA 3 51 ARG QD 4.000 . 5.000 4.188 4.188 4.188 . 0 0 "[ ]" 1
203 3 51 ARG QB 3 51 ARG HE 3.000 . 3.500 2.601 2.601 2.601 . 0 0 "[ ]" 1
204 3 51 ARG HE 3 51 ARG QG 3.000 . 3.500 3.194 3.194 3.194 . 0 0 "[ ]" 1
205 3 51 ARG QB 3 51 ARG QD 3.000 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
206 3 53 SER H 3 53 SER HA 3.000 . 3.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
207 3 54 ARG H 3 54 ARG QB 3.000 . 3.500 3.271 3.271 3.271 . 0 0 "[ ]" 1
208 3 54 ARG H 3 54 ARG QG 4.000 . 5.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
209 3 54 ARG HA 3 54 ARG QG 3.000 . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
210 3 54 ARG QB 3 54 ARG HE 4.000 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
211 3 54 ARG HE 3 54 ARG QG 2.500 . 2.800 2.294 2.294 2.294 . 0 0 "[ ]" 1
212 3 54 ARG QD 3 54 ARG HE 2.500 . 2.800 2.452 2.452 2.452 . 0 0 "[ ]" 1
213 3 55 ALA H 3 55 ALA HA 3.000 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
214 3 55 ALA H 3 55 ALA MB 3.000 . 3.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
215 3 56 LEU H 3 56 LEU HB3 3.000 . 3.500 2.289 2.289 2.289 . 0 0 "[ ]" 1
216 3 56 LEU H 3 56 LEU HB2 4.000 . 5.000 3.129 3.129 3.129 . 0 0 "[ ]" 1
217 3 56 LEU H 3 56 LEU HG 3.000 . 3.500 4.105 4.105 4.105 0.605 1 1 [+] 1
218 3 56 LEU H 3 56 LEU QD 4.000 . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
219 3 56 LEU HA 3 56 LEU HB3 3.000 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
220 3 56 LEU HA 3 56 LEU HB2 3.000 . 3.500 2.316 2.316 2.316 . 0 0 "[ ]" 1
221 3 56 LEU HA 3 56 LEU HG 3.000 . 3.500 3.595 3.595 3.595 0.095 1 0 "[ ]" 1
222 3 56 LEU HA 3 56 LEU QD 4.000 . 5.000 2.486 2.486 2.486 . 0 0 "[ ]" 1
223 3 56 LEU HB3 3 56 LEU HG 3.000 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
224 3 56 LEU HB2 3 56 LEU HG 3.000 . 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
225 3 57 LEU H 3 57 LEU HA 3.000 . 3.500 2.978 2.978 2.978 . 0 0 "[ ]" 1
226 3 57 LEU H 3 57 LEU HG 3.000 . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
227 3 57 LEU H 3 57 LEU MD1 5.000 . 6.000 3.861 3.861 3.861 . 0 0 "[ ]" 1
228 3 57 LEU H 3 57 LEU MD2 5.000 . 6.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
229 3 57 LEU H 3 57 LEU QB 3.000 . 3.500 2.525 2.525 2.525 . 0 0 "[ ]" 1
230 3 57 LEU HA 3 57 LEU HG 3.000 . 3.500 3.307 3.307 3.307 . 0 0 "[ ]" 1
231 3 57 LEU HA 3 57 LEU MD1 4.000 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
232 3 57 LEU HA 3 57 LEU MD2 4.000 . 5.000 2.363 2.363 2.363 . 0 0 "[ ]" 1
233 3 57 LEU QB 3 57 LEU HG 2.500 . 2.800 2.383 2.383 2.383 . 0 0 "[ ]" 1
234 3 57 LEU QB 3 57 LEU MD1 3.000 . 3.500 2.072 2.072 2.072 . 0 0 "[ ]" 1
235 3 57 LEU QB 3 57 LEU MD2 3.000 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
236 3 58 ASN H 3 58 ASN HA 3.000 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
237 3 58 ASN H 3 58 ASN HB3 4.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
238 3 58 ASN H 3 58 ASN HB2 3.000 . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
239 3 58 ASN H 3 58 ASN QD 3.000 . 3.500 3.049 3.049 3.049 . 0 0 "[ ]" 1
240 3 58 ASN HA 3 58 ASN HB3 3.000 . 3.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
241 3 58 ASN HA 3 58 ASN QD 4.000 . 5.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
242 3 58 ASN HB3 3 58 ASN QD 3.000 . 3.500 3.160 3.160 3.160 . 0 0 "[ ]" 1
243 3 58 ASN HB2 3 58 ASN QD 3.000 . 3.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
244 3 59 PHE H 3 59 PHE HB3 4.000 . 5.000 3.857 3.857 3.857 . 0 0 "[ ]" 1
245 3 59 PHE H 3 59 PHE HB2 4.000 . 5.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
246 3 59 PHE H 3 59 PHE QD 4.000 . 5.000 3.166 3.166 3.166 . 0 0 "[ ]" 1
247 3 59 PHE HA 3 59 PHE HB2 3.000 . 3.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
248 3 59 PHE HA 3 59 PHE QD 3.000 . 3.500 2.525 2.525 2.525 . 0 0 "[ ]" 1
249 3 59 PHE HA 3 59 PHE QE 5.000 . 6.000 4.498 4.498 4.498 . 0 0 "[ ]" 1
250 3 59 PHE HB3 3 59 PHE QD 3.000 . 3.500 2.594 2.594 2.594 . 0 0 "[ ]" 1
251 3 59 PHE HB3 3 59 PHE QE 4.000 . 5.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
252 3 59 PHE HB2 3 59 PHE QD 3.000 . 3.500 2.318 2.318 2.318 . 0 0 "[ ]" 1
253 3 61 LEU H 3 61 LEU HA 3.000 . 3.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
254 3 61 LEU H 3 61 LEU HG 2.500 . 2.800 2.020 2.020 2.020 . 0 0 "[ ]" 1
255 3 61 LEU H 3 61 LEU QB 2.500 . 2.800 2.669 2.669 2.669 . 0 0 "[ ]" 1
256 3 61 LEU HA 3 61 LEU HG 4.000 . 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
257 3 61 LEU HA 3 61 LEU QD 4.000 . 5.000 3.432 3.432 3.432 . 0 0 "[ ]" 1
258 3 61 LEU QB 3 61 LEU HG 2.500 . 2.800 2.412 2.412 2.412 . 0 0 "[ ]" 1
259 3 62 ARG H 3 62 ARG QB 3.000 . 3.500 2.519 2.519 2.519 . 0 0 "[ ]" 1
260 3 62 ARG H 3 62 ARG QG 3.000 . 3.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
261 3 62 ARG H 3 62 ARG QD 5.000 . 6.000 4.077 4.077 4.077 . 0 0 "[ ]" 1
262 3 62 ARG HA 3 62 ARG QD 4.000 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
263 3 62 ARG QB 3 62 ARG HE 4.000 . 5.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
264 3 62 ARG HE 3 62 ARG QG 3.000 . 3.500 3.215 3.215 3.215 . 0 0 "[ ]" 1
265 3 62 ARG QD 3 62 ARG HE 2.500 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 1
266 3 62 ARG QB 3 62 ARG QD 2.500 . 2.800 2.397 2.397 2.397 . 0 0 "[ ]" 1
267 3 63 VAL H 3 63 VAL HA 3.000 . 3.500 2.968 2.968 2.968 . 0 0 "[ ]" 1
268 3 63 VAL H 3 63 VAL HB 3.000 . 3.500 3.178 3.178 3.178 . 0 0 "[ ]" 1
269 3 63 VAL HA 3 63 VAL HB 3.000 . 3.500 2.456 2.456 2.456 . 0 0 "[ ]" 1
270 3 1 LYS HA 3 2 HIS H 2.500 . 2.800 2.299 2.299 2.299 . 0 0 "[ ]" 1
271 3 2 HIS HA 3 3 TYR H 3.000 . 3.500 2.510 2.510 2.510 . 0 0 "[ ]" 1
272 3 2 HIS QB 3 3 TYR H 4.000 . 5.000 2.254 2.254 2.254 . 0 0 "[ ]" 1
273 3 3 TYR HA 3 4 ARG H 3.000 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
274 3 3 TYR HB3 3 4 ARG H 4.000 . 5.000 2.468 2.468 2.468 . 0 0 "[ ]" 1
275 3 3 TYR HB2 3 4 ARG H 5.000 . 6.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
276 3 3 TYR QD 3 4 ARG H 4.000 . 5.000 3.423 3.423 3.423 . 0 0 "[ ]" 1
277 3 4 ARG HA 3 5 GLY H 3.000 . 3.500 2.108 2.108 2.108 . 0 0 "[ ]" 1
278 3 4 ARG QB 3 5 GLY H 4.000 . 5.000 3.158 3.158 3.158 . 0 0 "[ ]" 1
279 3 4 ARG QG 3 5 GLY H 4.000 . 5.000 4.241 4.241 4.241 . 0 0 "[ ]" 1
280 3 5 GLY H 3 6 VAL H 3.000 . 3.500 2.849 2.849 2.849 . 0 0 "[ ]" 1
281 3 5 GLY QA 3 6 VAL H 4.000 . 5.000 2.962 2.962 2.962 . 0 0 "[ ]" 1
282 3 6 VAL HA 3 7 ARG H 3.000 . 3.500 2.029 2.029 2.029 . 0 0 "[ ]" 1
283 3 6 VAL HB 3 7 ARG H 4.000 . 5.000 4.118 4.118 4.118 . 0 0 "[ ]" 1
284 3 6 VAL MG1 3 7 ARG H 4.000 . 5.000 2.552 2.552 2.552 . 0 0 "[ ]" 1
285 3 6 VAL MG2 3 7 ARG H 5.000 . 6.000 3.782 3.782 3.782 . 0 0 "[ ]" 1
286 3 7 ARG HA 3 8 GLN H 3.000 . 3.500 2.143 2.143 2.143 . 0 0 "[ ]" 1
287 3 7 ARG HB3 3 8 GLN H 3.000 . 3.500 3.716 3.716 3.716 0.216 1 0 "[ ]" 1
288 3 7 ARG HB2 3 8 GLN H 4.000 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
289 3 8 GLN HA 3 9 ARG H 3.000 . 3.500 2.089 2.089 2.089 . 0 0 "[ ]" 1
290 3 8 GLN QB 3 9 ARG H 4.000 . 5.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
291 3 9 ARG HA 3 10 PRO QD 3.000 . 3.500 2.077 2.077 2.077 . 0 0 "[ ]" 1
292 3 10 PRO HA 3 11 TRP H 5.000 . 6.000 3.524 3.524 3.524 . 0 0 "[ ]" 1
293 3 10 PRO QB 3 11 TRP HE3 4.000 . 5.000 4.032 4.032 4.032 . 0 0 "[ ]" 1
294 3 10 PRO QG 3 11 TRP HE3 3.000 . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 1
295 3 11 TRP H 3 12 GLY H 4.000 . 5.000 2.691 2.691 2.691 . 0 0 "[ ]" 1
296 3 12 GLY H 3 13 LYS H 4.000 . 5.000 2.378 2.378 2.378 . 0 0 "[ ]" 1
297 3 12 GLY QA 3 13 LYS H 5.000 . 6.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
298 3 13 LYS HA 3 14 PHE H 3.000 . 3.500 2.495 2.495 2.495 . 0 0 "[ ]" 1
299 3 13 LYS QB 3 14 PHE H 3.000 . 3.500 3.121 3.121 3.121 . 0 0 "[ ]" 1
300 3 13 LYS QG 3 14 PHE H 3.000 . 3.500 1.877 1.877 1.877 . 0 0 "[ ]" 1
301 3 14 PHE HA 3 15 ALA H 3.000 . 3.500 2.100 2.100 2.100 . 0 0 "[ ]" 1
302 3 14 PHE HB3 3 15 ALA H 4.000 . 5.000 3.676 3.676 3.676 . 0 0 "[ ]" 1
303 3 14 PHE HB2 3 15 ALA H 5.000 . 6.000 4.431 4.431 4.431 . 0 0 "[ ]" 1
304 3 14 PHE QD 3 15 ALA H 4.000 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
305 3 15 ALA HA 3 16 ALA H 3.000 . 3.500 2.375 2.375 2.375 . 0 0 "[ ]" 1
306 3 15 ALA MB 3 16 ALA H 5.000 . 6.000 2.447 2.447 2.447 . 0 0 "[ ]" 1
307 3 16 ALA HA 3 17 GLU H 2.500 . 2.800 2.075 2.075 2.075 . 0 0 "[ ]" 1
308 3 16 ALA MB 3 17 GLU H 4.000 . 5.000 3.191 3.191 3.191 . 0 0 "[ ]" 1
309 3 17 GLU HA 3 18 ILE H 3.000 . 3.500 2.289 2.289 2.289 . 0 0 "[ ]" 1
310 3 17 GLU QB 3 18 ILE H 3.000 . 3.500 2.642 2.642 2.642 . 0 0 "[ ]" 1
311 3 18 ILE HA 3 19 ARG H 3.000 . 3.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
312 3 18 ILE HB 3 19 ARG H 4.000 . 5.000 4.103 4.103 4.103 . 0 0 "[ ]" 1
313 3 18 ILE HG13 3 19 ARG H 3.000 . 3.500 2.432 2.432 2.432 . 0 0 "[ ]" 1
314 3 18 ILE HG12 3 19 ARG H 3.000 . 3.500 2.746 2.746 2.746 . 0 0 "[ ]" 1
315 3 18 ILE MD 3 19 ARG H 5.000 . 6.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
316 3 19 ARG HA 3 20 ASP H 3.000 . 3.500 2.116 2.116 2.116 . 0 0 "[ ]" 1
317 3 20 ASP HA 3 21 PRO QG 4.000 . 5.000 3.981 3.981 3.981 . 0 0 "[ ]" 1
318 3 20 ASP HA 3 21 PRO QD 4.000 . 5.000 2.050 2.050 2.050 . 0 0 "[ ]" 1
319 3 21 PRO HA 3 22 ALA H 5.000 . 6.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
320 3 21 PRO HB3 3 22 ALA H 5.000 . 6.000 4.363 4.363 4.363 . 0 0 "[ ]" 1
321 3 21 PRO HB2 3 22 ALA H 3.000 . 3.500 3.682 3.682 3.682 0.182 1 0 "[ ]" 1
322 3 21 PRO QG 3 22 ALA H 4.000 . 5.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
323 3 21 PRO QD 3 22 ALA H 4.000 . 5.000 2.759 2.759 2.759 . 0 0 "[ ]" 1
324 3 22 ALA H 3 23 LYS H 2.500 . 2.800 2.472 2.472 2.472 . 0 0 "[ ]" 1
325 3 22 ALA H 3 23 LYS HA 5.000 . 6.000 5.217 5.217 5.217 . 0 0 "[ ]" 1
326 3 22 ALA HA 3 23 LYS H 4.000 . 5.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
327 3 22 ALA MB 3 23 LYS H 3.000 . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
328 3 23 LYS H 3 24 ASN H 2.500 . 2.800 2.864 2.864 2.864 0.064 1 0 "[ ]" 1
329 3 23 LYS H 3 24 ASN HA 4.000 . 5.000 4.848 4.848 4.848 . 0 0 "[ ]" 1
330 3 23 LYS HA 3 24 ASN H 3.000 . 3.500 3.107 3.107 3.107 . 0 0 "[ ]" 1
331 3 24 ASN H 3 25 GLY H 3.000 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
332 3 24 ASN HA 3 25 GLY H 3.000 . 3.500 2.554 2.554 2.554 . 0 0 "[ ]" 1
333 3 24 ASN QB 3 25 GLY H 4.000 . 5.000 4.069 4.069 4.069 . 0 0 "[ ]" 1
334 3 25 GLY H 3 26 ALA H 3.000 . 3.500 2.705 2.705 2.705 . 0 0 "[ ]" 1
335 3 25 GLY QA 3 26 ALA H 4.000 . 5.000 2.972 2.972 2.972 . 0 0 "[ ]" 1
336 3 26 ALA H 3 27 ARG H 4.000 . 5.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
337 3 26 ALA HA 3 27 ARG H 2.500 . 2.800 2.282 2.282 2.282 . 0 0 "[ ]" 1
338 3 26 ALA MB 3 27 ARG H 4.000 . 5.000 2.951 2.951 2.951 . 0 0 "[ ]" 1
339 3 27 ARG H 3 28 VAL H 5.000 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
340 3 27 ARG HA 3 28 VAL H 3.000 . 3.500 2.248 2.248 2.248 . 0 0 "[ ]" 1
341 3 27 ARG HA 3 28 VAL MG2 5.000 . 6.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
342 3 27 ARG QB 3 28 VAL H 4.000 . 5.000 2.581 2.581 2.581 . 0 0 "[ ]" 1
343 3 27 ARG QG 3 28 VAL H 5.000 . 6.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
344 3 28 VAL H 3 29 TRP H 5.000 . 6.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
345 3 28 VAL HA 3 29 TRP H 2.500 . 2.800 2.120 2.120 2.120 . 0 0 "[ ]" 1
346 3 28 VAL HA 3 29 TRP HB3 5.000 . 6.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
347 3 28 VAL HB 3 29 TRP H 5.000 . 6.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
348 3 28 VAL MG1 3 29 TRP H 5.000 . 6.000 3.282 3.282 3.282 . 0 0 "[ ]" 1
349 3 28 VAL MG2 3 29 TRP H 5.000 . 6.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
350 3 29 TRP HA 3 30 LEU H 3.000 . 3.500 2.107 2.107 2.107 . 0 0 "[ ]" 1
351 3 29 TRP HB3 3 30 LEU H 5.000 . 6.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
352 3 29 TRP HB2 3 30 LEU H 5.000 . 6.000 4.444 4.444 4.444 . 0 0 "[ ]" 1
353 3 29 TRP HE3 3 30 LEU H 5.000 . 6.000 5.304 5.304 5.304 . 0 0 "[ ]" 1
354 3 30 LEU H 3 31 GLY H 3.000 . 3.500 2.609 2.609 2.609 . 0 0 "[ ]" 1
355 3 30 LEU HA 3 31 GLY H 4.000 . 5.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
356 3 30 LEU QB 3 31 GLY H 3.000 . 3.500 3.146 3.146 3.146 . 0 0 "[ ]" 1
357 3 30 LEU HG 3 31 GLY H 3.000 . 3.500 4.272 4.272 4.272 0.772 1 1 [+] 1
358 3 30 LEU MD1 3 31 GLY H 5.000 . 6.000 4.939 4.939 4.939 . 0 0 "[ ]" 1
359 3 30 LEU MD2 3 31 GLY H 5.000 . 6.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
360 3 31 GLY H 3 32 THR H 5.000 . 6.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
361 3 31 GLY QA 3 32 THR H 3.000 . 3.500 2.161 2.161 2.161 . 0 0 "[ ]" 1
362 3 32 THR HA 3 33 PHE H 3.000 . 3.500 2.156 2.156 2.156 . 0 0 "[ ]" 1
363 3 32 THR HA 3 33 PHE QD 4.000 . 5.000 2.592 2.592 2.592 . 0 0 "[ ]" 1
364 3 32 THR HB 3 33 PHE H 5.000 . 6.000 2.724 2.724 2.724 . 0 0 "[ ]" 1
365 3 32 THR MG 3 33 PHE H 4.000 . 5.000 3.187 3.187 3.187 . 0 0 "[ ]" 1
366 3 33 PHE HA 3 34 GLU H 3.000 . 3.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
367 3 33 PHE HB3 3 34 GLU H 3.000 . 3.500 3.179 3.179 3.179 . 0 0 "[ ]" 1
368 3 33 PHE HB2 3 34 GLU H 4.000 . 5.000 4.017 4.017 4.017 . 0 0 "[ ]" 1
369 3 34 GLU H 3 35 THR H 3.000 . 3.500 2.790 2.790 2.790 . 0 0 "[ ]" 1
370 3 34 GLU H 3 35 THR MG 5.000 . 6.000 4.366 4.366 4.366 . 0 0 "[ ]" 1
371 3 34 GLU HA 3 35 THR H 3.000 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
372 3 34 GLU QB 3 35 THR H 3.000 . 3.500 2.729 2.729 2.729 . 0 0 "[ ]" 1
373 3 34 GLU QB 3 35 THR MG 4.000 . 5.000 2.584 2.584 2.584 . 0 0 "[ ]" 1
374 3 35 THR HA 3 36 ALA H 2.500 . 2.800 2.282 2.282 2.282 . 0 0 "[ ]" 1
375 3 35 THR HB 3 36 ALA H 3.000 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
376 3 35 THR MG 3 36 ALA H 4.000 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
377 3 36 ALA H 3 37 GLU H 3.000 . 3.500 2.616 2.616 2.616 . 0 0 "[ ]" 1
378 3 36 ALA HA 3 37 GLU H 4.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
379 3 36 ALA MB 3 37 GLU H 4.000 . 5.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
380 3 37 GLU H 3 38 ASP H 3.000 . 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
381 3 37 GLU HA 3 38 ASP H 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
382 3 37 GLU QB 3 38 ASP H 3.000 . 3.500 3.059 3.059 3.059 . 0 0 "[ ]" 1
383 3 38 ASP H 3 39 ALA H 3.000 . 3.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
384 3 38 ASP HA 3 39 ALA H 5.000 . 6.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
385 3 38 ASP HB2 3 39 ALA H 4.000 . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
386 3 38 ASP HB3 3 39 ALA H 3.000 . 3.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
387 3 39 ALA H 3 40 ALA H 3.000 . 3.500 2.560 2.560 2.560 . 0 0 "[ ]" 1
388 3 39 ALA HA 3 40 ALA H 4.000 . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
389 3 39 ALA MB 3 40 ALA H 5.000 . 6.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
390 3 40 ALA H 3 41 LEU H 3.000 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
391 3 40 ALA HA 3 41 LEU H 5.000 . 6.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
392 3 40 ALA MB 3 41 LEU H 4.000 . 5.000 2.713 2.713 2.713 . 0 0 "[ ]" 1
393 3 41 LEU H 3 42 ALA H 3.000 . 3.500 2.630 2.630 2.630 . 0 0 "[ ]" 1
394 3 41 LEU HA 3 42 ALA H 4.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
395 3 41 LEU HB3 3 42 ALA H 3.000 . 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
396 3 41 LEU HB2 3 42 ALA H 4.000 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
397 3 42 ALA H 3 43 TYR H 3.000 . 3.500 2.623 2.623 2.623 . 0 0 "[ ]" 1
398 3 42 ALA HA 3 43 TYR H 5.000 . 6.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
399 3 42 ALA MB 3 43 TYR H 4.000 . 5.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
400 3 43 TYR H 3 44 ASP H 3.000 . 3.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
401 3 43 TYR HA 3 44 ASP H 5.000 . 6.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
402 3 43 TYR HB3 3 44 ASP H 4.000 . 5.000 2.658 2.658 2.658 . 0 0 "[ ]" 1
403 3 43 TYR HB2 3 44 ASP H 4.000 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
404 3 43 TYR QD 3 44 ASP HA 4.000 . 5.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
405 3 43 TYR QE 3 44 ASP HA 5.000 . 6.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
406 3 44 ASP H 3 45 ARG H 4.000 . 5.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
407 3 44 ASP HA 3 45 ARG H 5.000 . 6.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
408 3 44 ASP HB3 3 45 ARG H 4.000 . 5.000 2.418 2.418 2.418 . 0 0 "[ ]" 1
409 3 44 ASP HB2 3 45 ARG H 4.000 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
410 3 45 ARG H 3 46 ALA H 3.000 . 3.500 2.665 2.665 2.665 . 0 0 "[ ]" 1
411 3 45 ARG HA 3 46 ALA H 3.000 . 3.500 3.626 3.626 3.626 0.126 1 0 "[ ]" 1
412 3 45 ARG QB 3 46 ALA H 3.000 . 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
413 3 46 ALA H 3 47 ALA H 3.000 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
414 3 46 ALA HA 3 47 ALA H 5.000 . 6.000 3.630 3.630 3.630 . 0 0 "[ ]" 1
415 3 46 ALA MB 3 47 ALA H 5.000 . 6.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
416 3 46 ALA MB 3 47 ALA HA 5.000 . 6.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
417 3 47 ALA H 3 48 PHE H 3.000 . 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
418 3 47 ALA HA 3 48 PHE H 4.000 . 5.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
419 3 47 ALA MB 3 48 PHE H 4.000 . 5.000 2.554 2.554 2.554 . 0 0 "[ ]" 1
420 3 48 PHE H 3 49 ARG H 3.000 . 3.500 2.843 2.843 2.843 . 0 0 "[ ]" 1
421 3 48 PHE HA 3 49 ARG H 3.000 . 3.500 3.613 3.613 3.613 0.113 1 0 "[ ]" 1
422 3 48 PHE HB3 3 49 ARG H 4.000 . 5.000 2.969 2.969 2.969 . 0 0 "[ ]" 1
423 3 48 PHE HB2 3 49 ARG H 4.000 . 5.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
424 3 49 ARG H 3 50 MET H 3.000 . 3.500 2.796 2.796 2.796 . 0 0 "[ ]" 1
425 3 49 ARG HA 3 50 MET H 4.000 . 5.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
426 3 49 ARG QB 3 50 MET H 3.000 . 3.500 2.800 2.800 2.800 . 0 0 "[ ]" 1
427 3 51 ARG H 3 52 GLY H 3.000 . 3.500 2.298 2.298 2.298 . 0 0 "[ ]" 1
428 3 51 ARG HA 3 52 GLY H 4.000 . 5.000 3.480 3.480 3.480 . 0 0 "[ ]" 1
429 3 51 ARG QB 3 52 GLY H 3.000 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
430 3 51 ARG QG 3 52 GLY H 4.000 . 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
431 3 52 GLY QA 3 53 SER H 4.000 . 5.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
432 3 53 SER H 3 54 ARG H 4.000 . 5.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
433 3 53 SER HA 3 54 ARG H 3.000 . 3.500 2.606 2.606 2.606 . 0 0 "[ ]" 1
434 3 54 ARG H 3 55 ALA H 3.000 . 3.500 3.271 3.271 3.271 . 0 0 "[ ]" 1
435 3 54 ARG HA 3 55 ALA H 3.000 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 1
436 3 54 ARG QB 3 55 ALA H 4.000 . 5.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
437 3 55 ALA HA 3 56 LEU H 2.500 . 2.800 2.248 2.248 2.248 . 0 0 "[ ]" 1
438 3 55 ALA MB 3 56 LEU H 4.000 . 5.000 2.521 2.521 2.521 . 0 0 "[ ]" 1
439 3 56 LEU HA 3 57 LEU H 2.500 . 2.800 2.097 2.097 2.097 . 0 0 "[ ]" 1
440 3 57 LEU HA 3 58 ASN H 3.000 . 3.500 2.504 2.504 2.504 . 0 0 "[ ]" 1
441 3 57 LEU HG 3 58 ASN H 4.000 . 5.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
442 3 57 LEU MD1 3 58 ASN H 5.000 . 6.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
443 3 57 LEU MD2 3 58 ASN H 5.000 . 6.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
444 3 57 LEU QB 3 58 ASN H 4.000 . 5.000 2.148 2.148 2.148 . 0 0 "[ ]" 1
445 3 58 ASN H 3 59 PHE H 3.000 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
446 3 58 ASN HA 3 59 PHE H 5.000 . 6.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
447 3 58 ASN HB3 3 59 PHE H 5.000 . 6.000 3.685 3.685 3.685 . 0 0 "[ ]" 1
448 3 58 ASN HB3 3 59 PHE QD 3.000 . 3.500 3.769 3.769 3.769 0.269 1 0 "[ ]" 1
449 3 58 ASN HB3 3 59 PHE QE 3.000 . 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 1
450 3 58 ASN HB2 3 59 PHE H 4.000 . 5.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
451 3 58 ASN HB2 3 59 PHE QD 4.000 . 5.000 3.133 3.133 3.133 . 0 0 "[ ]" 1
452 3 59 PHE H 3 60 PRO HD3 5.000 . 6.000 3.364 3.364 3.364 . 0 0 "[ ]" 1
453 3 59 PHE H 3 60 PRO HD2 5.000 . 6.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
454 3 59 PHE HA 3 60 PRO HD3 4.000 . 5.000 3.130 3.130 3.130 . 0 0 "[ ]" 1
455 3 59 PHE HA 3 60 PRO HD2 3.000 . 3.500 2.074 2.074 2.074 . 0 0 "[ ]" 1
456 3 59 PHE HA 3 60 PRO QG 5.000 . 6.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
457 3 59 PHE QD 3 60 PRO HD3 5.000 . 6.000 5.160 5.160 5.160 . 0 0 "[ ]" 1
458 3 59 PHE QD 3 60 PRO HD2 5.000 . 6.000 4.144 4.144 4.144 . 0 0 "[ ]" 1
459 3 60 PRO HA 3 61 LEU H 3.000 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
460 3 60 PRO HB3 3 61 LEU H 5.000 . 6.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
461 3 60 PRO HD3 3 61 LEU H 5.000 . 6.000 5.364 5.364 5.364 . 0 0 "[ ]" 1
462 3 60 PRO HD2 3 61 LEU H 5.000 . 6.000 5.360 5.360 5.360 . 0 0 "[ ]" 1
463 3 61 LEU H 3 62 ARG H 3.000 . 3.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
464 3 61 LEU HA 3 62 ARG H 3.000 . 3.500 3.251 3.251 3.251 . 0 0 "[ ]" 1
465 3 61 LEU QD 3 62 ARG H 5.000 . 6.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
466 3 62 ARG H 3 63 VAL H 3.000 . 3.500 2.580 2.580 2.580 . 0 0 "[ ]" 1
467 3 62 ARG HA 3 63 VAL H 3.000 . 3.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
468 3 4 ARG HA 3 6 VAL H 4.000 . 5.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
469 3 9 ARG QB 3 11 TRP HZ2 4.000 . 5.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
470 3 9 ARG QG 3 11 TRP HZ2 5.000 . 6.000 2.170 2.170 2.170 . 0 0 "[ ]" 1
471 3 9 ARG QD 3 11 TRP HZ2 5.000 . 6.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
472 3 11 TRP HE1 3 13 LYS QB 4.000 . 5.000 2.650 2.650 2.650 . 0 0 "[ ]" 1
473 3 11 TRP HE1 3 13 LYS QG 4.000 . 5.000 4.533 4.533 4.533 . 0 0 "[ ]" 1
474 3 20 ASP HA 3 22 ALA H 5.000 . 6.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
475 3 20 ASP HB3 3 22 ALA H 5.000 . 6.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
476 3 21 PRO HA 3 23 LYS H 4.000 . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
477 3 22 ALA H 3 24 ASN H 5.000 . 6.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
478 3 23 LYS H 3 25 GLY H 4.000 . 5.000 4.017 4.017 4.017 . 0 0 "[ ]" 1
479 3 26 ALA MB 3 28 VAL MG2 5.000 . 6.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
480 3 29 TRP HA 3 31 GLY H 4.000 . 5.000 3.497 3.497 3.497 . 0 0 "[ ]" 1
481 3 29 TRP HD1 3 31 GLY H 4.000 . 5.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
482 3 29 TRP HE1 3 31 GLY H 4.000 . 5.000 3.383 3.383 3.383 . 0 0 "[ ]" 1
483 3 29 TRP HE1 3 31 GLY HA3 4.000 . 5.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
484 3 29 TRP HE1 3 31 GLY HA2 5.000 . 6.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
485 3 31 GLY QA 3 33 PHE QE 5.000 . 6.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
486 3 33 PHE HB3 3 35 THR H 3.000 . 3.500 3.268 3.268 3.268 . 0 0 "[ ]" 1
487 3 33 PHE HB2 3 35 THR H 3.000 . 3.500 3.861 3.861 3.861 0.361 1 0 "[ ]" 1
488 3 35 THR HB 3 37 GLU H 3.000 . 3.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
489 3 37 GLU H 3 39 ALA H 5.000 . 6.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
490 3 39 ALA H 3 41 LEU H 5.000 . 6.000 3.938 3.938 3.938 . 0 0 "[ ]" 1
491 3 39 ALA HA 3 41 LEU H 5.000 . 6.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
492 3 40 ALA H 3 42 ALA H 5.000 . 6.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
493 3 40 ALA MB 3 42 ALA H 5.000 . 6.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
494 3 41 LEU H 3 43 TYR H 4.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
495 3 42 ALA H 3 44 ASP H 4.000 . 5.000 3.868 3.868 3.868 . 0 0 "[ ]" 1
496 3 43 TYR H 3 45 ARG H 5.000 . 6.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
497 3 45 ARG H 3 47 ALA H 5.000 . 6.000 4.611 4.611 4.611 . 0 0 "[ ]" 1
498 3 45 ARG HA 3 47 ALA H 5.000 . 6.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
499 3 47 ALA MB 3 49 ARG H 5.000 . 6.000 4.591 4.591 4.591 . 0 0 "[ ]" 1
500 3 55 ALA MB 3 57 LEU MD1 4.000 . 5.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
501 3 55 ALA MB 3 57 LEU MD2 4.000 . 5.000 1.993 1.993 1.993 . 0 0 "[ ]" 1
502 3 57 LEU HA 3 59 PHE H 5.000 . 6.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
503 3 57 LEU HG 3 59 PHE H 4.000 . 5.000 5.668 5.668 5.668 0.668 1 1 [+] 1
504 3 57 LEU MD2 3 59 PHE H 5.000 . 6.000 4.712 4.712 4.712 . 0 0 "[ ]" 1
505 3 3 TYR H 3 6 VAL HB 4.000 . 5.000 2.626 2.626 2.626 . 0 0 "[ ]" 1
506 3 3 TYR H 3 6 VAL MG1 5.000 . 6.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
507 3 3 TYR H 3 6 VAL MG2 5.000 . 6.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
508 3 3 TYR HB3 3 6 VAL MG2 4.000 . 5.000 2.680 2.680 2.680 . 0 0 "[ ]" 1
509 3 3 TYR HB2 3 6 VAL MG1 5.000 . 6.000 2.897 2.897 2.897 . 0 0 "[ ]" 1
510 3 3 TYR HB2 3 6 VAL MG2 4.000 . 5.000 2.304 2.304 2.304 . 0 0 "[ ]" 1
511 3 3 TYR QD 3 6 VAL HB 4.000 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
512 3 3 TYR QD 3 6 VAL MG1 5.000 . 6.000 2.991 2.991 2.991 . 0 0 "[ ]" 1
513 3 3 TYR QD 3 6 VAL MG2 5.000 . 6.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
514 3 3 TYR QE 3 6 VAL MG1 5.000 . 6.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
515 3 3 TYR QE 3 6 VAL MG2 5.000 . 6.000 5.107 5.107 5.107 . 0 0 "[ ]" 1
516 3 9 ARG HA 3 12 GLY H 4.000 . 5.000 5.081 5.081 5.081 0.081 1 0 "[ ]" 1
517 3 20 ASP HB3 3 23 LYS H 4.000 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
518 3 20 ASP HB3 3 23 LYS HB2 4.000 . 5.000 2.505 2.505 2.505 . 0 0 "[ ]" 1
519 3 20 ASP HB3 3 23 LYS QG 4.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
520 3 23 LYS HB2 3 26 ALA H 5.000 . 6.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
521 3 23 LYS HB2 3 26 ALA MB 3.000 . 3.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
522 3 29 TRP HE1 3 32 THR H 5.000 . 6.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
523 3 29 TRP HE1 3 32 THR HB 5.000 . 6.000 5.441 5.441 5.441 . 0 0 "[ ]" 1
524 3 29 TRP HZ2 3 32 THR MG 5.000 . 6.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
525 3 35 THR H 3 38 ASP HB2 4.000 . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
526 3 35 THR HB 3 38 ASP H 4.000 . 5.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
527 3 36 ALA HA 3 39 ALA H 4.000 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
528 3 36 ALA HA 3 39 ALA MB 5.000 . 6.000 2.627 2.627 2.627 . 0 0 "[ ]" 1
529 3 37 GLU HA 3 40 ALA H 4.000 . 5.000 3.436 3.436 3.436 . 0 0 "[ ]" 1
530 3 37 GLU HA 3 40 ALA MB 4.000 . 5.000 2.173 2.173 2.173 . 0 0 "[ ]" 1
531 3 38 ASP HA 3 41 LEU H 3.000 . 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 1
532 3 38 ASP HA 3 41 LEU HB3 4.000 . 5.000 2.408 2.408 2.408 . 0 0 "[ ]" 1
533 3 39 ALA HA 3 42 ALA H 3.000 . 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
534 3 39 ALA HA 3 42 ALA MB 4.000 . 5.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
535 3 40 ALA HA 3 43 TYR H 4.000 . 5.000 3.414 3.414 3.414 . 0 0 "[ ]" 1
536 3 40 ALA HA 3 43 TYR HB3 3.000 . 3.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
537 3 40 ALA HA 3 43 TYR HB2 4.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
538 3 41 LEU HA 3 44 ASP H 4.000 . 5.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
539 3 41 LEU HA 3 44 ASP HB3 4.000 . 5.000 2.660 2.660 2.660 . 0 0 "[ ]" 1
540 3 41 LEU HA 3 44 ASP HB2 3.000 . 3.500 2.142 2.142 2.142 . 0 0 "[ ]" 1
541 3 41 LEU QD 3 44 ASP HB2 5.000 . 6.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
542 3 42 ALA HA 3 45 ARG H 3.000 . 3.500 3.704 3.704 3.704 0.204 1 0 "[ ]" 1
543 3 42 ALA HA 3 45 ARG QB 3.000 . 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 1
544 3 43 TYR HA 3 46 ALA H 4.000 . 5.000 3.248 3.248 3.248 . 0 0 "[ ]" 1
545 3 43 TYR HA 3 46 ALA MB 4.000 . 5.000 2.285 2.285 2.285 . 0 0 "[ ]" 1
546 3 44 ASP HA 3 47 ALA H 4.000 . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
547 3 44 ASP HA 3 47 ALA MB 4.000 . 5.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
548 3 45 ARG HA 3 48 PHE H 4.000 . 5.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
549 3 46 ALA HA 3 49 ARG H 4.000 . 5.000 3.352 3.352 3.352 . 0 0 "[ ]" 1
550 3 46 ALA HA 3 49 ARG QB 5.000 . 6.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
551 3 47 ALA HA 3 50 MET H 4.000 . 5.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
552 3 47 ALA HA 3 50 MET QB 5.000 . 6.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
553 3 57 LEU HG 3 60 PRO HA 4.000 . 5.000 4.656 4.656 4.656 . 0 0 "[ ]" 1
554 3 57 LEU HG 3 60 PRO HB3 4.000 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
555 3 57 LEU HG 3 60 PRO HD3 5.000 . 6.000 4.979 4.979 4.979 . 0 0 "[ ]" 1
556 3 57 LEU MD1 3 60 PRO HB3 5.000 . 6.000 3.187 3.187 3.187 . 0 0 "[ ]" 1
557 3 9 ARG H 3 13 LYS QB 4.000 . 5.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
558 3 21 PRO HA 3 25 GLY H 3.000 . 3.500 1.955 1.955 1.955 . 0 0 "[ ]" 1
559 3 21 PRO HA 3 25 GLY QA 4.000 . 5.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
560 3 21 PRO HB3 3 25 GLY H 5.000 . 6.000 4.200 4.200 4.200 . 0 0 "[ ]" 1
561 3 21 PRO HB2 3 25 GLY H 4.000 . 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
562 3 40 ALA HA 3 44 ASP H 5.000 . 6.000 4.194 4.194 4.194 . 0 0 "[ ]" 1
563 3 41 LEU HA 3 45 ARG H 4.000 . 5.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
564 3 43 TYR HA 3 47 ALA H 5.000 . 6.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
565 3 43 TYR QE 3 47 ALA MB 5.000 . 6.000 2.606 2.606 2.606 . 0 0 "[ ]" 1
566 3 46 ALA MB 3 50 MET ME 4.000 . 5.000 3.400 3.400 3.400 . 0 0 "[ ]" 1
567 3 48 PHE HA 3 52 GLY H 3.000 . 3.500 3.704 3.704 3.704 0.204 1 0 "[ ]" 1
568 3 51 ARG QD 3 55 ALA MB 3.000 . 3.500 2.087 2.087 2.087 . 0 0 "[ ]" 1
569 3 57 LEU MD1 3 61 LEU H 5.000 . 6.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
570 3 3 TYR QD 3 36 ALA HA 4.000 . 5.000 4.026 4.026 4.026 . 0 0 "[ ]" 1
571 3 3 TYR QD 3 36 ALA MB 3.000 . 3.500 2.347 2.347 2.347 . 0 0 "[ ]" 1
572 3 3 TYR QE 3 36 ALA H 5.000 . 6.000 4.917 4.917 4.917 . 0 0 "[ ]" 1
573 3 3 TYR QE 3 36 ALA HA 5.000 . 6.000 4.756 4.756 4.756 . 0 0 "[ ]" 1
574 3 3 TYR QE 3 36 ALA MB 3.000 . 3.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
575 3 3 TYR QD 3 37 GLU HA 4.000 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
576 3 3 TYR QE 3 37 GLU H 4.000 . 5.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
577 3 3 TYR QE 3 37 GLU HA 4.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
578 3 3 TYR QE 3 37 GLU QG 4.000 . 5.000 2.743 2.743 2.743 . 0 0 "[ ]" 1
579 3 3 TYR QD 3 39 ALA MB 5.000 . 6.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
580 3 3 TYR HB3 3 40 ALA MB 4.000 . 5.000 2.119 2.119 2.119 . 0 0 "[ ]" 1
581 3 3 TYR HB2 3 40 ALA MB 5.000 . 6.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
582 3 3 TYR QD 3 40 ALA H 4.000 . 5.000 4.519 4.519 4.519 . 0 0 "[ ]" 1
583 3 3 TYR QD 3 40 ALA HA 5.000 . 6.000 4.649 4.649 4.649 . 0 0 "[ ]" 1
584 3 3 TYR QD 3 40 ALA MB 4.000 . 5.000 2.574 2.574 2.574 . 0 0 "[ ]" 1
585 3 3 TYR QE 3 40 ALA MB 4.000 . 5.000 3.465 3.465 3.465 . 0 0 "[ ]" 1
586 3 3 TYR HB3 3 58 ASN QD 5.000 . 6.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
587 3 3 TYR QD 3 58 ASN HA 4.000 . 5.000 3.182 3.182 3.182 . 0 0 "[ ]" 1
588 3 3 TYR QD 3 58 ASN HB3 4.000 . 5.000 2.372 2.372 2.372 . 0 0 "[ ]" 1
589 3 3 TYR QD 3 58 ASN HB2 5.000 . 6.000 3.961 3.961 3.961 . 0 0 "[ ]" 1
590 3 3 TYR QE 3 58 ASN HB3 4.000 . 5.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
591 3 3 TYR QE 3 59 PHE HZ 2.500 . 2.800 2.937 2.937 2.937 0.137 1 0 "[ ]" 1
592 3 3 TYR QE 3 59 PHE QE 3.000 . 3.500 2.772 2.772 2.772 . 0 0 "[ ]" 1
593 3 4 ARG H 3 58 ASN HA 5.000 . 6.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
594 3 4 ARG H 3 58 ASN QD 4.000 . 5.000 2.627 2.627 2.627 . 0 0 "[ ]" 1
595 3 5 GLY QA 3 17 GLU H 4.000 . 5.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
596 3 5 GLY QA 3 43 TYR QE 4.000 . 5.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
597 3 6 VAL HB 3 14 PHE QD 4.000 . 5.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
598 3 6 VAL MG1 3 14 PHE HB3 4.000 . 5.000 2.054 2.054 2.054 . 0 0 "[ ]" 1
599 3 6 VAL MG1 3 14 PHE HB2 5.000 . 6.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
600 3 6 VAL MG1 3 14 PHE QD 3.000 . 3.500 2.157 2.157 2.157 . 0 0 "[ ]" 1
601 3 6 VAL MG1 3 14 PHE QE 5.000 . 6.000 3.685 3.685 3.685 . 0 0 "[ ]" 1
602 3 6 VAL MG2 3 14 PHE HB2 4.000 . 5.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
603 3 6 VAL MG2 3 14 PHE QD 5.000 . 6.000 4.642 4.642 4.642 . 0 0 "[ ]" 1
604 3 6 VAL HA 3 15 ALA H 4.000 . 5.000 4.772 4.772 4.772 . 0 0 "[ ]" 1
605 3 6 VAL MG1 3 15 ALA H 4.000 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
606 3 6 VAL HA 3 16 ALA HA 3.000 . 3.500 2.589 2.589 2.589 . 0 0 "[ ]" 1
607 3 6 VAL MG1 3 16 ALA HA 5.000 . 6.000 4.133 4.133 4.133 . 0 0 "[ ]" 1
608 3 6 VAL MG2 3 16 ALA H 5.000 . 6.000 5.097 5.097 5.097 . 0 0 "[ ]" 1
609 3 6 VAL MG2 3 16 ALA HA 5.000 . 6.000 3.179 3.179 3.179 . 0 0 "[ ]" 1
610 3 6 VAL MG1 3 36 ALA HA 4.000 . 5.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
611 3 6 VAL MG2 3 36 ALA HA 5.000 . 6.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
612 3 6 VAL HA 3 39 ALA MB 4.000 . 5.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
613 3 6 VAL HB 3 39 ALA MB 4.000 . 5.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
614 3 6 VAL MG1 3 39 ALA MB 3.000 . 3.500 2.098 2.098 2.098 . 0 0 "[ ]" 1
615 3 6 VAL MG2 3 39 ALA MB 4.000 . 5.000 2.176 2.176 2.176 . 0 0 "[ ]" 1
616 3 6 VAL MG1 3 40 ALA H 5.000 . 6.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
617 3 6 VAL MG1 3 40 ALA HA 5.000 . 6.000 4.310 4.310 4.310 . 0 0 "[ ]" 1
618 3 6 VAL MG2 3 40 ALA H 4.000 . 5.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
619 3 6 VAL MG2 3 40 ALA HA 4.000 . 5.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
620 3 6 VAL MG2 3 40 ALA MB 4.000 . 5.000 2.068 2.068 2.068 . 0 0 "[ ]" 1
621 3 6 VAL MG2 3 43 TYR HB3 5.000 . 6.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
622 3 6 VAL MG2 3 43 TYR HB2 5.000 . 6.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
623 3 7 ARG H 3 15 ALA H 2.500 . 2.800 3.216 3.216 3.216 0.416 1 0 "[ ]" 1
624 3 7 ARG H 3 15 ALA MB 5.000 . 6.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
625 3 7 ARG H 3 16 ALA HA 4.000 . 5.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
626 3 7 ARG H 3 39 ALA MB 5.000 . 6.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
627 3 8 GLN HA 3 14 PHE HA 4.000 . 5.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
628 3 8 GLN HA 3 14 PHE QD 3.000 . 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
629 3 8 GLN HA 3 14 PHE QE 4.000 . 5.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
630 3 8 GLN QB 3 14 PHE QD 4.000 . 5.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
631 3 8 GLN QB 3 14 PHE QE 5.000 . 6.000 2.562 2.562 2.562 . 0 0 "[ ]" 1
632 3 8 GLN HA 3 15 ALA H 5.000 . 6.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
633 3 9 ARG H 3 14 PHE HA 4.000 . 5.000 3.312 3.312 3.312 . 0 0 "[ ]" 1
634 3 9 ARG H 3 14 PHE QD 5.000 . 6.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
635 3 9 ARG H 3 14 PHE QE 4.000 . 5.000 5.283 5.283 5.283 0.283 1 0 "[ ]" 1
636 3 9 ARG H 3 15 ALA H 5.000 . 6.000 3.981 3.981 3.981 . 0 0 "[ ]" 1
637 3 14 PHE H 3 32 THR MG 4.000 . 5.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
638 3 14 PHE H 3 33 PHE H 4.000 . 5.000 3.307 3.307 3.307 . 0 0 "[ ]" 1
639 3 14 PHE HB2 3 33 PHE H 5.000 . 6.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
640 3 14 PHE H 3 34 GLU HA 4.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
641 3 14 PHE QD 3 35 THR HA 3.000 . 3.500 3.047 3.047 3.047 . 0 0 "[ ]" 1
642 3 14 PHE QD 3 35 THR HB 5.000 . 6.000 5.141 5.141 5.141 . 0 0 "[ ]" 1
643 3 14 PHE QD 3 36 ALA H 4.000 . 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
644 3 14 PHE QD 3 36 ALA HA 3.000 . 3.500 3.163 3.163 3.163 . 0 0 "[ ]" 1
645 3 14 PHE QD 3 36 ALA MB 4.000 . 5.000 3.171 3.171 3.171 . 0 0 "[ ]" 1
646 3 14 PHE QE 3 36 ALA H 4.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
647 3 14 PHE QE 3 36 ALA HA 4.000 . 5.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
648 3 14 PHE QE 3 36 ALA MB 4.000 . 5.000 2.908 2.908 2.908 . 0 0 "[ ]" 1
649 3 14 PHE HB3 3 39 ALA MB 3.000 . 3.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
650 3 14 PHE HB2 3 39 ALA MB 4.000 . 5.000 2.415 2.415 2.415 . 0 0 "[ ]" 1
651 3 14 PHE QD 3 39 ALA MB 4.000 . 5.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
652 3 15 ALA MB 3 29 TRP HZ2 4.000 . 5.000 2.198 2.198 2.198 . 0 0 "[ ]" 1
653 3 15 ALA MB 3 29 TRP HH2 4.000 . 5.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
654 3 15 ALA HA 3 32 THR HA 4.000 . 5.000 2.129 2.129 2.129 . 0 0 "[ ]" 1
655 3 15 ALA HA 3 32 THR MG 4.000 . 5.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
656 3 15 ALA MB 3 32 THR HA 5.000 . 6.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
657 3 15 ALA MB 3 32 THR MG 5.000 . 6.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
658 3 15 ALA HA 3 33 PHE H 4.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
659 3 15 ALA HA 3 33 PHE QD 3.000 . 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
660 3 15 ALA HA 3 33 PHE QE 5.000 . 6.000 4.033 4.033 4.033 . 0 0 "[ ]" 1
661 3 15 ALA MB 3 33 PHE H 5.000 . 6.000 4.812 4.812 4.812 . 0 0 "[ ]" 1
662 3 15 ALA H 3 39 ALA MB 5.000 . 6.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
663 3 15 ALA HA 3 39 ALA MB 5.000 . 6.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
664 3 16 ALA MB 3 30 LEU H 4.000 . 5.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
665 3 16 ALA H 3 31 GLY H 4.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
666 3 16 ALA MB 3 31 GLY H 4.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
667 3 16 ALA H 3 32 THR HA 4.000 . 5.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
668 3 16 ALA MB 3 33 PHE QE 5.000 . 6.000 2.166 2.166 2.166 . 0 0 "[ ]" 1
669 3 16 ALA HA 3 39 ALA MB 5.000 . 6.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
670 3 16 ALA MB 3 43 TYR H 4.000 . 5.000 3.112 3.112 3.112 . 0 0 "[ ]" 1
671 3 17 GLU HA 3 29 TRP HA 3.000 . 3.500 2.504 2.504 2.504 . 0 0 "[ ]" 1
672 3 17 GLU QB 3 29 TRP HE3 4.000 . 5.000 4.242 4.242 4.242 . 0 0 "[ ]" 1
673 3 17 GLU QG 3 29 TRP HE3 3.000 . 3.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
674 3 17 GLU HA 3 30 LEU H 3.000 . 3.500 2.679 2.679 2.679 . 0 0 "[ ]" 1
675 3 17 GLU HA 3 30 LEU MD1 5.000 . 6.000 3.695 3.695 3.695 . 0 0 "[ ]" 1
676 3 17 GLU HA 3 30 LEU MD2 5.000 . 6.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
677 3 17 GLU QG 3 30 LEU H 4.000 . 5.000 3.879 3.879 3.879 . 0 0 "[ ]" 1
678 3 18 ILE H 3 27 ARG HA 5.000 . 6.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
679 3 18 ILE H 3 28 VAL H 4.000 . 5.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
680 3 18 ILE H 3 28 VAL HB 4.000 . 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
681 3 18 ILE H 3 28 VAL MG1 4.000 . 5.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
682 3 18 ILE H 3 28 VAL MG2 5.000 . 6.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
683 3 18 ILE MG 3 28 VAL H 5.000 . 6.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
684 3 18 ILE MG 3 28 VAL HB 4.000 . 5.000 2.231 2.231 2.231 . 0 0 "[ ]" 1
685 3 18 ILE MG 3 28 VAL MG2 5.000 . 6.000 3.182 3.182 3.182 . 0 0 "[ ]" 1
686 3 18 ILE H 3 30 LEU H 4.000 . 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
687 3 18 ILE H 3 30 LEU MD2 5.000 . 6.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
688 3 18 ILE HA 3 43 TYR QE 4.000 . 5.000 2.438 2.438 2.438 . 0 0 "[ ]" 1
689 3 18 ILE HB 3 43 TYR QE 3.000 . 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
690 3 18 ILE HG13 3 43 TYR QE 3.000 . 3.500 2.139 2.139 2.139 . 0 0 "[ ]" 1
691 3 18 ILE HG12 3 43 TYR QE 4.000 . 5.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
692 3 18 ILE MD 3 43 TYR HA 5.000 . 6.000 3.787 3.787 3.787 . 0 0 "[ ]" 1
693 3 18 ILE MD 3 43 TYR QE 4.000 . 5.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
694 3 18 ILE MG 3 46 ALA MB 4.000 . 5.000 2.193 2.193 2.193 . 0 0 "[ ]" 1
695 3 18 ILE MD 3 46 ALA HA 5.000 . 6.000 4.434 4.434 4.434 . 0 0 "[ ]" 1
696 3 18 ILE MD 3 46 ALA MB 4.000 . 5.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
697 3 18 ILE MD 3 47 ALA H 4.000 . 5.000 2.690 2.690 2.690 . 0 0 "[ ]" 1
698 3 18 ILE MD 3 47 ALA HA 3.000 . 3.500 2.011 2.011 2.011 . 0 0 "[ ]" 1
699 3 18 ILE MD 3 47 ALA MB 4.000 . 5.000 2.030 2.030 2.030 . 0 0 "[ ]" 1
700 3 18 ILE MG 3 50 MET ME 4.000 . 5.000 1.901 1.901 1.901 . 0 0 "[ ]" 1
701 3 18 ILE MD 3 50 MET H 5.000 . 6.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
702 3 18 ILE MD 3 50 MET ME 5.000 . 6.000 2.148 2.148 2.148 . 0 0 "[ ]" 1
703 3 19 ARG HA 3 27 ARG HA 5.000 . 6.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
704 3 19 ARG HA 3 28 VAL H 4.000 . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
705 3 19 ARG H 3 43 TYR QE 4.000 . 5.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
706 3 20 ASP H 3 26 ALA H 5.000 . 6.000 3.836 3.836 3.836 . 0 0 "[ ]" 1
707 3 20 ASP H 3 26 ALA MB 4.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
708 3 20 ASP H 3 27 ARG HA 4.000 . 5.000 3.647 3.647 3.647 . 0 0 "[ ]" 1
709 3 20 ASP H 3 28 VAL H 5.000 . 6.000 4.769 4.769 4.769 . 0 0 "[ ]" 1
710 3 20 ASP H 3 28 VAL MG2 5.000 . 6.000 3.213 3.213 3.213 . 0 0 "[ ]" 1
711 3 20 ASP HB3 3 28 VAL MG2 4.000 . 5.000 2.744 2.744 2.744 . 0 0 "[ ]" 1
712 3 20 ASP HB2 3 28 VAL MG2 4.000 . 5.000 2.381 2.381 2.381 . 0 0 "[ ]" 1
713 3 20 ASP HA 3 50 MET ME 4.000 . 5.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
714 3 20 ASP HB3 3 50 MET ME 5.000 . 6.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
715 3 28 VAL MG1 3 50 MET ME 5.000 . 6.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
716 3 28 VAL MG2 3 50 MET ME 5.000 . 6.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
717 3 30 LEU MD1 3 43 TYR H 5.000 . 6.000 3.161 3.161 3.161 . 0 0 "[ ]" 1
718 3 30 LEU MD1 3 43 TYR HA 3.000 . 3.500 2.096 2.096 2.096 . 0 0 "[ ]" 1
719 3 30 LEU MD1 3 43 TYR HB3 5.000 . 6.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
720 3 30 LEU MD1 3 43 TYR HB2 5.000 . 6.000 2.859 2.859 2.859 . 0 0 "[ ]" 1
721 3 30 LEU MD1 3 46 ALA H 5.000 . 6.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
722 3 30 LEU MD1 3 46 ALA MB 3.000 . 3.500 1.945 1.945 1.945 . 0 0 "[ ]" 1
723 3 30 LEU MD2 3 46 ALA H 5.000 . 6.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
724 3 30 LEU MD2 3 46 ALA MB 4.000 . 5.000 2.065 2.065 2.065 . 0 0 "[ ]" 1
725 3 30 LEU MD1 3 47 ALA H 5.000 . 6.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
726 3 33 PHE H 3 39 ALA MB 5.000 . 6.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
727 3 33 PHE HB3 3 39 ALA H 4.000 . 5.000 3.240 3.240 3.240 . 0 0 "[ ]" 1
728 3 33 PHE HB3 3 39 ALA MB 4.000 . 5.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
729 3 33 PHE HB2 3 39 ALA H 3.000 . 3.500 2.959 2.959 2.959 . 0 0 "[ ]" 1
730 3 33 PHE HB2 3 39 ALA MB 4.000 . 5.000 2.091 2.091 2.091 . 0 0 "[ ]" 1
731 3 33 PHE QD 3 39 ALA HA 3.000 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
732 3 33 PHE QD 3 39 ALA MB 4.000 . 5.000 2.525 2.525 2.525 . 0 0 "[ ]" 1
733 3 33 PHE QE 3 39 ALA HA 4.000 . 5.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
734 3 33 PHE QE 3 39 ALA MB 4.000 . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
735 3 33 PHE QE 3 42 ALA MB 3.000 . 3.500 2.701 2.701 2.701 . 0 0 "[ ]" 1
736 3 37 GLU HA 3 59 PHE HZ 3.000 . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
737 3 37 GLU HA 3 59 PHE QE 4.000 . 5.000 2.813 2.813 2.813 . 0 0 "[ ]" 1
738 3 37 GLU QB 3 59 PHE HZ 3.000 . 3.500 2.788 2.788 2.788 . 0 0 "[ ]" 1
739 3 37 GLU QG 3 59 PHE HZ 4.000 . 5.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
740 3 37 GLU QG 3 59 PHE QE 4.000 . 5.000 3.696 3.696 3.696 . 0 0 "[ ]" 1
741 3 40 ALA HA 3 58 ASN QD 4.000 . 5.000 2.435 2.435 2.435 . 0 0 "[ ]" 1
742 3 40 ALA MB 3 58 ASN HB2 5.000 . 6.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
743 3 40 ALA MB 3 58 ASN QD 5.000 . 6.000 2.651 2.651 2.651 . 0 0 "[ ]" 1
744 3 40 ALA H 3 59 PHE QE 5.000 . 6.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
745 3 40 ALA MB 3 59 PHE HZ 4.000 . 5.000 2.701 2.701 2.701 . 0 0 "[ ]" 1
746 3 40 ALA MB 3 59 PHE QD 5.000 . 6.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
747 3 40 ALA MB 3 59 PHE QE 4.000 . 5.000 2.018 2.018 2.018 . 0 0 "[ ]" 1
748 3 41 LEU H 3 59 PHE QD 4.000 . 5.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
749 3 41 LEU H 3 59 PHE QE 4.000 . 5.000 2.644 2.644 2.644 . 0 0 "[ ]" 1
750 3 41 LEU HA 3 59 PHE QD 5.000 . 6.000 2.409 2.409 2.409 . 0 0 "[ ]" 1
751 3 41 LEU HA 3 59 PHE QE 3.000 . 3.500 3.359 3.359 3.359 . 0 0 "[ ]" 1
752 3 41 LEU HB3 3 59 PHE QD 4.000 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
753 3 41 LEU HB3 3 59 PHE QE 4.000 . 5.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
754 3 41 LEU HB2 3 59 PHE HZ 4.000 . 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 1
755 3 41 LEU HB2 3 59 PHE QD 4.000 . 5.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
756 3 41 LEU HB2 3 59 PHE QE 4.000 . 5.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
757 3 41 LEU QD 3 59 PHE HB3 4.000 . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
758 3 41 LEU QD 3 59 PHE HB2 5.000 . 6.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
759 3 41 LEU QD 3 59 PHE QD 5.000 . 6.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
760 3 41 LEU QD 3 59 PHE QE 5.000 . 6.000 4.069 4.069 4.069 . 0 0 "[ ]" 1
761 3 43 TYR QE 3 57 LEU HA 4.000 . 5.000 2.900 2.900 2.900 . 0 0 "[ ]" 1
762 3 43 TYR H 3 58 ASN QD 4.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
763 3 43 TYR HB3 3 58 ASN QD 4.000 . 5.000 2.160 2.160 2.160 . 0 0 "[ ]" 1
764 3 43 TYR HB2 3 58 ASN QD 4.000 . 5.000 3.446 3.446 3.446 . 0 0 "[ ]" 1
765 3 44 ASP HA 3 57 LEU MD1 4.000 . 5.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
766 3 44 ASP HA 3 57 LEU MD2 4.000 . 5.000 2.096 2.096 2.096 . 0 0 "[ ]" 1
767 3 44 ASP HB2 3 57 LEU MD2 4.000 . 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
768 3 47 ALA HA 3 55 ALA MB 5.000 . 6.000 4.615 4.615 4.615 . 0 0 "[ ]" 1
769 3 47 ALA MB 3 55 ALA MB 5.000 . 6.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
770 3 47 ALA H 3 57 LEU MD2 5.000 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 1
771 3 48 PHE QD 3 53 SER HA 4.000 . 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
772 3 48 PHE QE 3 53 SER HA 4.000 . 5.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
773 3 48 PHE H 3 55 ALA MB 5.000 . 6.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
774 3 48 PHE HA 3 55 ALA MB 4.000 . 5.000 2.892 2.892 2.892 . 0 0 "[ ]" 1
775 3 48 PHE QD 3 55 ALA HA 4.000 . 5.000 5.964 5.964 5.964 0.964 1 1 [+] 1
776 3 48 PHE QD 3 55 ALA MB 4.000 . 5.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
777 3 48 PHE QE 3 55 ALA MB 5.000 . 6.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
778 3 48 PHE H 3 57 LEU MD2 5.000 . 6.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
779 3 48 PHE HB3 3 57 LEU MD1 5.000 . 6.000 4.978 4.978 4.978 . 0 0 "[ ]" 1
780 3 48 PHE HB3 3 57 LEU MD2 5.000 . 6.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
781 3 48 PHE HB2 3 57 LEU MD1 5.000 . 6.000 3.642 3.642 3.642 . 0 0 "[ ]" 1
782 3 48 PHE HB2 3 57 LEU MD2 5.000 . 6.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
783 3 48 PHE QD 3 57 LEU MD1 5.000 . 6.000 2.151 2.151 2.151 . 0 0 "[ ]" 1
784 3 48 PHE QD 3 57 LEU MD2 5.000 . 6.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
785 3 48 PHE QE 3 57 LEU MD1 5.000 . 6.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
786 3 48 PHE QE 3 57 LEU MD2 5.000 . 6.000 4.295 4.295 4.295 . 0 0 "[ ]" 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 417
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 4.882
_Distance_constraint_stats_list.Viol_max 0.447
_Distance_constraint_stats_list.Viol_rms 0.0508
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.1085
_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 1 DT 0.047 0.047 1 0 "[ ]"
1 2 DA 0.572 0.278 1 0 "[ ]"
1 3 DG 0.285 0.140 1 0 "[ ]"
1 4 DC 0.307 0.140 1 0 "[ ]"
1 5 DC 0.354 0.199 1 0 "[ ]"
1 6 DG 0.023 0.023 1 0 "[ ]"
1 7 DC 0.286 0.239 1 0 "[ ]"
1 8 DC 0.619 0.366 1 0 "[ ]"
1 9 DA 0.050 0.029 1 0 "[ ]"
1 10 DG 0.027 0.027 1 0 "[ ]"
1 11 DC 0.253 0.229 1 0 "[ ]"
2 1 DG 0.039 0.039 1 0 "[ ]"
2 2 DC 0.036 0.036 1 0 "[ ]"
2 3 DT 0.631 0.380 1 0 "[ ]"
2 4 DG 0.191 0.167 1 0 "[ ]"
2 5 DG 0.033 0.033 1 0 "[ ]"
2 6 DC 0.040 0.040 1 0 "[ ]"
2 7 DG 0.384 0.355 1 0 "[ ]"
2 8 DG 0.355 0.355 1 0 "[ ]"
2 9 DC 0.029 0.029 1 0 "[ ]"
2 10 DT 0.282 0.236 1 0 "[ ]"
2 11 DA 1.003 0.447 1 0 "[ ]"
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 DT H1' 1 1 DT H2' 3.000 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 2
2 1 1 DT H1' 1 1 DT H2'' 3.000 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 2
3 1 1 DT H2' 1 1 DT H2'' 3.000 . 3.500 1.753 1.753 1.753 0.047 1 0 "[ ]" 2
4 1 1 DT H2' 1 1 DT H6 4.000 . 5.000 2.006 2.006 2.006 . 0 0 "[ ]" 2
5 1 1 DT H2'' 1 1 DT H6 3.000 . 3.500 3.421 3.421 3.421 . 0 0 "[ ]" 2
6 1 1 DT H5' 1 1 DT H6 5.000 . 6.000 3.831 3.831 3.831 . 0 0 "[ ]" 2
7 1 1 DT H3 1 1 DT H6 4.000 . 5.000 4.784 4.784 4.784 . 0 0 "[ ]" 2
8 1 1 DT H6 1 1 DT M7 4.000 . 5.000 2.316 2.316 2.316 . 0 0 "[ ]" 2
9 1 1 DT H3 1 2 DA H2 5.000 . 6.000 4.685 4.685 4.685 . 0 0 "[ ]" 2
10 1 1 DT H3 2 10 DT H3 4.000 . 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 2
11 1 1 DT H3 2 11 DA H2 3.000 . 3.500 2.896 2.896 2.896 . 0 0 "[ ]" 2
12 1 2 DA H1' 1 2 DA H2' 3.000 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 2
13 1 2 DA H1' 1 2 DA H2'' 4.000 . 5.000 2.339 2.339 2.339 . 0 0 "[ ]" 2
14 1 2 DA H1' 1 2 DA H3' 5.000 . 6.000 3.909 3.909 3.909 . 0 0 "[ ]" 2
15 1 2 DA H1' 1 2 DA H4' 4.000 . 5.000 3.453 3.453 3.453 . 0 0 "[ ]" 2
16 1 2 DA H1' 1 2 DA H8 4.000 . 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 2
17 1 2 DA H2' 1 2 DA H2'' 3.000 . 3.500 1.758 1.758 1.758 0.042 1 0 "[ ]" 2
18 1 2 DA H2' 1 2 DA H3' 4.000 . 5.000 2.274 2.274 2.274 . 0 0 "[ ]" 2
19 1 2 DA H2' 1 2 DA H4' 4.000 . 5.000 3.905 3.905 3.905 . 0 0 "[ ]" 2
20 1 2 DA H2' 1 2 DA H8 4.000 . 5.000 2.190 2.190 2.190 . 0 0 "[ ]" 2
21 1 2 DA H2'' 1 2 DA H3' 4.000 . 5.000 2.763 2.763 2.763 . 0 0 "[ ]" 2
22 1 2 DA H2'' 1 2 DA H4' 5.000 . 6.000 4.056 4.056 4.056 . 0 0 "[ ]" 2
23 1 2 DA H2'' 1 2 DA H8 3.000 . 3.500 3.725 3.725 3.725 0.225 1 0 "[ ]" 2
24 1 2 DA H3' 1 2 DA H4' 5.000 . 6.000 2.771 2.771 2.771 . 0 0 "[ ]" 2
25 1 2 DA H3' 1 2 DA H5' 4.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 2
26 1 2 DA H3' 1 2 DA H5'' 4.000 . 5.000 2.497 2.497 2.497 . 0 0 "[ ]" 2
27 1 2 DA H3' 1 2 DA H8 5.000 . 6.000 3.892 3.892 3.892 . 0 0 "[ ]" 2
28 1 2 DA H4' 1 2 DA H5' 4.000 . 5.000 2.514 2.514 2.514 . 0 0 "[ ]" 2
29 1 2 DA H4' 1 2 DA H5'' 5.000 . 6.000 2.338 2.338 2.338 . 0 0 "[ ]" 2
30 1 2 DA H5' 1 2 DA H5'' 3.000 . 3.500 1.773 1.773 1.773 0.027 1 0 "[ ]" 2
31 1 2 DA H5' 1 2 DA H8 3.000 . 3.500 3.778 3.778 3.778 0.278 1 0 "[ ]" 2
32 1 2 DA H1' 1 3 DG H8 3.000 . 3.500 3.289 3.289 3.289 . 0 0 "[ ]" 2
33 1 2 DA H2' 1 3 DG H8 3.000 . 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 2
34 1 2 DA H2'' 1 3 DG H8 4.000 . 5.000 2.218 2.218 2.218 . 0 0 "[ ]" 2
35 1 2 DA H2 1 3 DG H1 5.000 . 6.000 4.113 4.113 4.113 . 0 0 "[ ]" 2
36 1 2 DA H2 2 10 DT H3 3.000 . 3.500 2.794 2.794 2.794 . 0 0 "[ ]" 2
37 1 2 DA H2 2 11 DA H2 4.000 . 5.000 3.119 3.119 3.119 . 0 0 "[ ]" 2
38 1 3 DG H1' 1 3 DG H2' 3.000 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 2
39 1 3 DG H1' 1 3 DG H2'' 4.000 . 5.000 2.432 2.432 2.432 . 0 0 "[ ]" 2
40 1 3 DG H1' 1 3 DG H8 5.000 . 6.000 3.914 3.914 3.914 . 0 0 "[ ]" 2
41 1 3 DG H2' 1 3 DG H2'' 2.500 . 2.800 1.764 1.764 1.764 0.036 1 0 "[ ]" 2
42 1 3 DG H2' 1 3 DG H8 4.000 . 5.000 2.230 2.230 2.230 . 0 0 "[ ]" 2
43 1 3 DG H2'' 1 3 DG H3' 5.000 . 6.000 2.711 2.711 2.711 . 0 0 "[ ]" 2
44 1 3 DG H2'' 1 3 DG H8 3.000 . 3.500 3.608 3.608 3.608 0.108 1 0 "[ ]" 2
45 1 3 DG H3' 1 3 DG H8 4.000 . 5.000 4.319 4.319 4.319 . 0 0 "[ ]" 2
46 1 3 DG H1' 1 4 DC H5' 3.000 . 3.500 2.612 2.612 2.612 . 0 0 "[ ]" 2
47 1 3 DG H1' 1 4 DC H6 4.000 . 5.000 2.683 2.683 2.683 . 0 0 "[ ]" 2
48 1 3 DG H2' 1 4 DC H5' 4.000 . 5.000 4.931 4.931 4.931 . 0 0 "[ ]" 2
49 1 3 DG H2' 1 4 DC H6 3.000 . 3.500 3.640 3.640 3.640 0.140 1 0 "[ ]" 2
50 1 3 DG H2'' 1 4 DC H6 4.000 . 5.000 2.042 2.042 2.042 . 0 0 "[ ]" 2
51 1 3 DG H8 1 4 DC H5 4.000 . 5.000 3.421 3.421 3.421 . 0 0 "[ ]" 2
52 1 3 DG H8 1 4 DC H6 5.000 . 6.000 4.892 4.892 4.892 . 0 0 "[ ]" 2
53 1 3 DG H1 2 8 DG H1 4.000 . 5.000 2.917 2.917 2.917 . 0 0 "[ ]" 2
54 1 3 DG H1 2 10 DT H3 4.000 . 5.000 2.970 2.970 2.970 . 0 0 "[ ]" 2
55 1 4 DC H1' 1 4 DC H2' 3.000 . 3.500 3.046 3.046 3.046 . 0 0 "[ ]" 2
56 1 4 DC H1' 1 4 DC H2'' 4.000 . 5.000 2.385 2.385 2.385 . 0 0 "[ ]" 2
57 1 4 DC H1' 1 4 DC H3' 4.000 . 5.000 3.894 3.894 3.894 . 0 0 "[ ]" 2
58 1 4 DC H1' 1 4 DC H6 4.000 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 2
59 1 4 DC H2' 1 4 DC H2'' 2.500 . 2.800 1.735 1.735 1.735 0.065 1 0 "[ ]" 2
60 1 4 DC H2' 1 4 DC H3' 3.000 . 3.500 2.264 2.264 2.264 . 0 0 "[ ]" 2
61 1 4 DC H2' 1 4 DC H6 4.000 . 5.000 2.071 2.071 2.071 . 0 0 "[ ]" 2
62 1 4 DC H2'' 1 4 DC H3' 3.000 . 3.500 2.726 2.726 2.726 . 0 0 "[ ]" 2
63 1 4 DC H2'' 1 4 DC H6 3.000 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 2
64 1 4 DC H3' 1 4 DC H5' 4.000 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 2
65 1 4 DC H3' 1 4 DC H6 4.000 . 5.000 3.798 3.798 3.798 . 0 0 "[ ]" 2
66 1 4 DC H5' 1 4 DC H6 4.000 . 5.000 3.658 3.658 3.658 . 0 0 "[ ]" 2
67 1 4 DC H5 1 4 DC H6 3.000 . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 2
68 1 4 DC H1' 1 5 DC H5' 3.000 . 3.500 2.162 2.162 2.162 . 0 0 "[ ]" 2
69 1 4 DC H1' 1 5 DC H6 4.000 . 5.000 2.918 2.918 2.918 . 0 0 "[ ]" 2
70 1 4 DC H2' 1 5 DC H5' 4.000 . 5.000 4.437 4.437 4.437 . 0 0 "[ ]" 2
71 1 4 DC H2' 1 5 DC H6 3.000 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 2
72 1 5 DC H1' 1 5 DC H2' 3.000 . 3.500 3.024 3.024 3.024 . 0 0 "[ ]" 2
73 1 5 DC H1' 1 5 DC H2'' 4.000 . 5.000 2.334 2.334 2.334 . 0 0 "[ ]" 2
74 1 5 DC H1' 1 5 DC H6 4.000 . 5.000 3.700 3.700 3.700 . 0 0 "[ ]" 2
75 1 5 DC H2' 1 5 DC H2'' 2.500 . 2.800 1.764 1.764 1.764 0.036 1 0 "[ ]" 2
76 1 5 DC H2' 1 5 DC H3' 3.000 . 3.500 2.281 2.281 2.281 . 0 0 "[ ]" 2
77 1 5 DC H2' 1 5 DC H6 4.000 . 5.000 2.206 2.206 2.206 . 0 0 "[ ]" 2
78 1 5 DC H2'' 1 5 DC H3' 2.500 . 2.800 2.776 2.776 2.776 . 0 0 "[ ]" 2
79 1 5 DC H2'' 1 5 DC H6 3.000 . 3.500 3.699 3.699 3.699 0.199 1 0 "[ ]" 2
80 1 5 DC H3' 1 5 DC H5' 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 2
81 1 5 DC H3' 1 5 DC H6 4.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 2
82 1 5 DC H5' 1 5 DC H6 3.000 . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 2
83 1 5 DC H5 1 5 DC H6 3.000 . 3.500 2.446 2.446 2.446 . 0 0 "[ ]" 2
84 1 5 DC H1' 1 6 DG H5' 3.000 . 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 2
85 1 5 DC H1' 1 6 DG H8 4.000 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 2
86 1 5 DC H2' 1 6 DG H5' 4.000 . 5.000 4.377 4.377 4.377 . 0 0 "[ ]" 2
87 1 5 DC H2' 1 6 DG H8 3.000 . 3.500 2.554 2.554 2.554 . 0 0 "[ ]" 2
88 1 5 DC H2'' 1 6 DG H8 4.000 . 5.000 2.656 2.656 2.656 . 0 0 "[ ]" 2
89 1 5 DC H5 2 7 DG H1 5.000 . 6.000 5.114 5.114 5.114 . 0 0 "[ ]" 2
90 1 6 DG H1' 1 6 DG H2'' 2.500 . 2.800 2.392 2.392 2.392 . 0 0 "[ ]" 2
91 1 6 DG H1' 1 6 DG H3' 4.000 . 5.000 3.837 3.837 3.837 . 0 0 "[ ]" 2
92 1 6 DG H1' 1 6 DG H4' 4.000 . 5.000 2.725 2.725 2.725 . 0 0 "[ ]" 2
93 1 6 DG H1' 1 6 DG H8 5.000 . 6.000 3.898 3.898 3.898 . 0 0 "[ ]" 2
94 1 6 DG H2'' 1 6 DG H3' 2.500 . 2.800 2.789 2.789 2.789 . 0 0 "[ ]" 2
95 1 6 DG H2'' 1 6 DG H4' 4.000 . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 2
96 1 6 DG H2'' 1 6 DG H8 4.000 . 5.000 3.476 3.476 3.476 . 0 0 "[ ]" 2
97 1 6 DG H3' 1 6 DG H4' 4.000 . 5.000 2.990 2.990 2.990 . 0 0 "[ ]" 2
98 1 6 DG H3' 1 6 DG H5' 4.000 . 5.000 3.630 3.630 3.630 . 0 0 "[ ]" 2
99 1 6 DG H3' 1 6 DG H8 5.000 . 6.000 4.121 4.121 4.121 . 0 0 "[ ]" 2
100 1 6 DG H4' 1 6 DG H5' 3.000 . 3.500 2.592 2.592 2.592 . 0 0 "[ ]" 2
101 1 6 DG H5' 1 6 DG H8 4.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 2
102 1 6 DG H1' 1 7 DC H5' 3.000 . 3.500 2.144 2.144 2.144 . 0 0 "[ ]" 2
103 1 6 DG H1' 1 7 DC H6 3.000 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 2
104 1 6 DG H2'' 1 7 DC H5' 4.000 . 5.000 3.425 3.425 3.425 . 0 0 "[ ]" 2
105 1 6 DG H2'' 1 7 DC H5 4.000 . 5.000 2.769 2.769 2.769 . 0 0 "[ ]" 2
106 1 6 DG H2'' 1 7 DC H6 2.500 . 2.800 2.113 2.113 2.113 . 0 0 "[ ]" 2
107 1 6 DG H8 1 7 DC H5 5.000 . 6.000 3.549 3.549 3.549 . 0 0 "[ ]" 2
108 1 6 DG H1 2 5 DG H1 3.000 . 3.500 3.415 3.415 3.415 . 0 0 "[ ]" 2
109 1 6 DG H1 2 7 DG H1 4.000 . 5.000 3.669 3.669 3.669 . 0 0 "[ ]" 2
110 1 7 DC H1' 1 7 DC H2'' 3.000 . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 2
111 1 7 DC H1' 1 7 DC H2' 3.000 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 2
112 1 7 DC H1' 1 7 DC H3' 4.000 . 5.000 3.873 3.873 3.873 . 0 0 "[ ]" 2
113 1 7 DC H1' 1 7 DC H6 4.000 . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 2
114 1 7 DC H2' 1 7 DC H2'' 2.500 . 2.800 1.754 1.754 1.754 0.046 1 0 "[ ]" 2
115 1 7 DC H2'' 1 7 DC H3' 3.000 . 3.500 2.730 2.730 2.730 . 0 0 "[ ]" 2
116 1 7 DC H2'' 1 7 DC H6 4.000 . 5.000 3.620 3.620 3.620 . 0 0 "[ ]" 2
117 1 7 DC H2' 1 7 DC H3' 3.000 . 3.500 2.291 2.291 2.291 . 0 0 "[ ]" 2
118 1 7 DC H2' 1 7 DC H6 3.000 . 3.500 2.138 2.138 2.138 . 0 0 "[ ]" 2
119 1 7 DC H3' 1 7 DC H5' 4.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 2
120 1 7 DC H3' 1 7 DC H6 4.000 . 5.000 3.886 3.886 3.886 . 0 0 "[ ]" 2
121 1 7 DC H5' 1 7 DC H6 3.000 . 3.500 3.739 3.739 3.739 0.239 1 0 "[ ]" 2
122 1 7 DC H5 1 7 DC H6 3.000 . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 2
123 1 7 DC H1' 1 8 DC H5' 3.000 . 3.500 2.604 2.604 2.604 . 0 0 "[ ]" 2
124 1 7 DC H1' 1 8 DC H6 4.000 . 5.000 3.241 3.241 3.241 . 0 0 "[ ]" 2
125 1 7 DC H2'' 1 8 DC H5' 4.000 . 5.000 3.405 3.405 3.405 . 0 0 "[ ]" 2
126 1 7 DC H2'' 1 8 DC H6 2.500 . 2.800 2.013 2.013 2.013 . 0 0 "[ ]" 2
127 1 7 DC H6 1 8 DC H5 4.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 2
128 1 8 DC H1' 1 8 DC H2' 3.000 . 3.500 3.016 3.016 3.016 . 0 0 "[ ]" 2
129 1 8 DC H1' 1 8 DC H2'' 4.000 . 5.000 2.307 2.307 2.307 . 0 0 "[ ]" 2
130 1 8 DC H1' 1 8 DC H3' 4.000 . 5.000 3.908 3.908 3.908 . 0 0 "[ ]" 2
131 1 8 DC H1' 1 8 DC H6 4.000 . 5.000 3.715 3.715 3.715 . 0 0 "[ ]" 2
132 1 8 DC H2' 1 8 DC H2'' 2.500 . 2.800 1.764 1.764 1.764 0.036 1 0 "[ ]" 2
133 1 8 DC H2' 1 8 DC H3' 3.000 . 3.500 2.245 2.245 2.245 . 0 0 "[ ]" 2
134 1 8 DC H2' 1 8 DC H6 4.000 . 5.000 2.215 2.215 2.215 . 0 0 "[ ]" 2
135 1 8 DC H2'' 1 8 DC H3' 2.500 . 2.800 2.802 2.802 2.802 0.002 1 0 "[ ]" 2
136 1 8 DC H2'' 1 8 DC H6 3.000 . 3.500 3.714 3.714 3.714 0.214 1 0 "[ ]" 2
137 1 8 DC H3' 1 8 DC H5' 4.000 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 2
138 1 8 DC H3' 1 8 DC H6 4.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 2
139 1 8 DC H5' 1 8 DC H6 3.000 . 3.500 3.866 3.866 3.866 0.366 1 0 "[ ]" 2
140 1 8 DC H5 1 8 DC H6 2.500 . 2.800 2.433 2.433 2.433 . 0 0 "[ ]" 2
141 1 8 DC H1' 1 9 DA H5' 3.000 . 3.500 2.566 2.566 2.566 . 0 0 "[ ]" 2
142 1 8 DC H1' 1 9 DA H8 4.000 . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 2
143 1 8 DC H2' 1 9 DA H5' 4.000 . 5.000 4.409 4.409 4.409 . 0 0 "[ ]" 2
144 1 8 DC H2' 1 9 DA H8 3.000 . 3.500 3.165 3.165 3.165 . 0 0 "[ ]" 2
145 1 8 DC H2'' 1 9 DA H8 4.000 . 5.000 2.085 2.085 2.085 . 0 0 "[ ]" 2
146 1 9 DA H1' 1 9 DA H2'' 2.500 . 2.800 2.371 2.371 2.371 . 0 0 "[ ]" 2
147 1 9 DA H1' 1 9 DA H2' 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 2
148 1 9 DA H1' 1 9 DA H3' 4.000 . 5.000 3.852 3.852 3.852 . 0 0 "[ ]" 2
149 1 9 DA H1' 1 9 DA H8 4.000 . 5.000 3.915 3.915 3.915 . 0 0 "[ ]" 2
150 1 9 DA H2' 1 9 DA H2'' 2.500 . 2.800 1.771 1.771 1.771 0.029 1 0 "[ ]" 2
151 1 9 DA H2'' 1 9 DA H3' 3.000 . 3.500 2.735 2.735 2.735 . 0 0 "[ ]" 2
152 1 9 DA H2'' 1 9 DA H8 4.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 2
153 1 9 DA H2' 1 9 DA H3' 3.000 . 3.500 2.314 2.314 2.314 . 0 0 "[ ]" 2
154 1 9 DA H2' 1 9 DA H8 3.000 . 3.500 2.194 2.194 2.194 . 0 0 "[ ]" 2
155 1 9 DA H3' 1 9 DA H4' 4.000 . 5.000 2.833 2.833 2.833 . 0 0 "[ ]" 2
156 1 9 DA H3' 1 9 DA H5' 4.000 . 5.000 3.599 3.599 3.599 . 0 0 "[ ]" 2
157 1 9 DA H3' 1 9 DA H5'' 4.000 . 5.000 2.577 2.577 2.577 . 0 0 "[ ]" 2
158 1 9 DA H3' 1 9 DA H8 4.000 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 2
159 1 9 DA H4' 1 9 DA H5' 4.000 . 5.000 2.527 2.527 2.527 . 0 0 "[ ]" 2
160 1 9 DA H4' 1 9 DA H5'' 3.000 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 2
161 1 9 DA H5' 1 9 DA H5'' 2.500 . 2.800 1.779 1.779 1.779 0.021 1 0 "[ ]" 2
162 1 9 DA H5' 1 9 DA H8 4.000 . 5.000 4.290 4.290 4.290 . 0 0 "[ ]" 2
163 1 9 DA H1' 1 10 DG H5' 3.000 . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 2
164 1 9 DA H1' 1 10 DG H8 3.000 . 3.500 3.293 3.293 3.293 . 0 0 "[ ]" 2
165 1 9 DA H2'' 1 10 DG H5' 4.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 2
166 1 9 DA H2'' 1 10 DG H8 2.500 . 2.800 2.058 2.058 2.058 . 0 0 "[ ]" 2
167 1 9 DA H2' 1 10 DG H8 4.000 . 5.000 3.408 3.408 3.408 . 0 0 "[ ]" 2
168 1 9 DA H2 2 3 DT H3 3.000 . 3.500 2.666 2.666 2.666 . 0 0 "[ ]" 2
169 1 9 DA H2 2 4 DG H1 4.000 . 5.000 3.959 3.959 3.959 . 0 0 "[ ]" 2
170 1 10 DG H1' 1 10 DG H2'' 2.500 . 2.800 2.382 2.382 2.382 . 0 0 "[ ]" 2
171 1 10 DG H1' 1 10 DG H2' 4.000 . 5.000 3.038 3.038 3.038 . 0 0 "[ ]" 2
172 1 10 DG H1' 1 10 DG H3' 4.000 . 5.000 3.772 3.772 3.772 . 0 0 "[ ]" 2
173 1 10 DG H1' 1 10 DG H4' 4.000 . 5.000 3.157 3.157 3.157 . 0 0 "[ ]" 2
174 1 10 DG H1' 1 10 DG H8 4.000 . 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 2
175 1 10 DG H2' 1 10 DG H2'' 2.500 . 2.800 1.773 1.773 1.773 0.027 1 0 "[ ]" 2
176 1 10 DG H2'' 1 10 DG H3' 2.500 . 2.800 2.724 2.724 2.724 . 0 0 "[ ]" 2
177 1 10 DG H2'' 1 10 DG H4' 4.000 . 5.000 4.049 4.049 4.049 . 0 0 "[ ]" 2
178 1 10 DG H2'' 1 10 DG H8 4.000 . 5.000 3.599 3.599 3.599 . 0 0 "[ ]" 2
179 1 10 DG H2' 1 10 DG H3' 3.000 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 2
180 1 10 DG H2' 1 10 DG H4' 4.000 . 5.000 3.837 3.837 3.837 . 0 0 "[ ]" 2
181 1 10 DG H2' 1 10 DG H8 3.000 . 3.500 2.269 2.269 2.269 . 0 0 "[ ]" 2
182 1 10 DG H3' 1 10 DG H4' 4.000 . 5.000 2.816 2.816 2.816 . 0 0 "[ ]" 2
183 1 10 DG H3' 1 10 DG H5' 4.000 . 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 2
184 1 10 DG H3' 1 10 DG H8 4.000 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 2
185 1 10 DG H4' 1 10 DG H5' 3.000 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 2
186 1 10 DG H5' 1 10 DG H8 4.000 . 5.000 4.325 4.325 4.325 . 0 0 "[ ]" 2
187 1 10 DG H1' 1 11 DC H6 3.000 . 3.500 3.235 3.235 3.235 . 0 0 "[ ]" 2
188 1 10 DG H2'' 1 11 DC H6 2.500 . 2.800 2.118 2.118 2.118 . 0 0 "[ ]" 2
189 1 10 DG H2' 1 11 DC H6 4.000 . 5.000 3.751 3.751 3.751 . 0 0 "[ ]" 2
190 1 10 DG H8 1 11 DC H5 4.000 . 5.000 3.522 3.522 3.522 . 0 0 "[ ]" 2
191 1 10 DG H1 2 3 DT H3 4.000 . 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 2
192 1 11 DC H1' 1 11 DC H2' 2.500 . 2.800 3.029 3.029 3.029 0.229 1 0 "[ ]" 2
193 1 11 DC H1' 1 11 DC H3' 4.000 . 5.000 3.784 3.784 3.784 . 0 0 "[ ]" 2
194 1 11 DC H1' 1 11 DC H4' 3.000 . 3.500 3.245 3.245 3.245 . 0 0 "[ ]" 2
195 1 11 DC H1' 1 11 DC H6 4.000 . 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 2
196 1 11 DC H2' 1 11 DC H3' 3.000 . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 2
197 1 11 DC H2' 1 11 DC H4' 4.000 . 5.000 3.881 3.881 3.881 . 0 0 "[ ]" 2
198 1 11 DC H2' 1 11 DC H6 4.000 . 5.000 2.151 2.151 2.151 . 0 0 "[ ]" 2
199 1 11 DC H3' 1 11 DC H4' 5.000 . 6.000 2.789 2.789 2.789 . 0 0 "[ ]" 2
200 1 11 DC H3' 1 11 DC H5' 4.000 . 5.000 3.667 3.667 3.667 . 0 0 "[ ]" 2
201 1 11 DC H3' 1 11 DC H5'' 5.000 . 6.000 2.579 2.579 2.579 . 0 0 "[ ]" 2
202 1 11 DC H3' 1 11 DC H6 4.000 . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 2
203 1 11 DC H4' 1 11 DC H5' 2.500 . 2.800 2.509 2.509 2.509 . 0 0 "[ ]" 2
204 1 11 DC H4' 1 11 DC H5'' 2.500 . 2.800 2.410 2.410 2.410 . 0 0 "[ ]" 2
205 1 11 DC H5' 1 11 DC H5'' 2.500 . 2.800 1.776 1.776 1.776 0.024 1 0 "[ ]" 2
206 1 11 DC H5 1 11 DC H6 2.500 . 2.800 2.424 2.424 2.424 . 0 0 "[ ]" 2
207 2 1 DG H1' 2 1 DG H2'' 2.500 . 2.800 2.331 2.331 2.331 . 0 0 "[ ]" 2
208 2 1 DG H1' 2 1 DG H2' 4.000 . 5.000 3.015 3.015 3.015 . 0 0 "[ ]" 2
209 2 1 DG H1' 2 1 DG H3' 4.000 . 5.000 3.883 3.883 3.883 . 0 0 "[ ]" 2
210 2 1 DG H1' 2 1 DG H8 4.000 . 5.000 3.927 3.927 3.927 . 0 0 "[ ]" 2
211 2 1 DG H2' 2 1 DG H2'' 2.500 . 2.800 1.761 1.761 1.761 0.039 1 0 "[ ]" 2
212 2 1 DG H2'' 2 1 DG H3' 2.500 . 2.800 2.734 2.734 2.734 . 0 0 "[ ]" 2
213 2 1 DG H2'' 2 1 DG H8 4.000 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 2
214 2 1 DG H2' 2 1 DG H3' 2.500 . 2.800 2.361 2.361 2.361 . 0 0 "[ ]" 2
215 2 1 DG H2' 2 1 DG H8 3.000 . 3.500 2.266 2.266 2.266 . 0 0 "[ ]" 2
216 2 1 DG H3' 2 1 DG H8 4.000 . 5.000 4.249 4.249 4.249 . 0 0 "[ ]" 2
217 2 1 DG H1' 2 2 DC H5' 3.000 . 3.500 2.483 2.483 2.483 . 0 0 "[ ]" 2
218 2 1 DG H1' 2 2 DC H6 3.000 . 3.500 2.685 2.685 2.685 . 0 0 "[ ]" 2
219 2 1 DG H2'' 2 2 DC H5' 4.000 . 5.000 3.842 3.842 3.842 . 0 0 "[ ]" 2
220 2 1 DG H2'' 2 2 DC H5 4.000 . 5.000 2.646 2.646 2.646 . 0 0 "[ ]" 2
221 2 1 DG H2'' 2 2 DC H6 3.000 . 3.500 2.146 2.146 2.146 . 0 0 "[ ]" 2
222 2 1 DG H2' 2 2 DC H5 5.000 . 6.000 3.225 3.225 3.225 . 0 0 "[ ]" 2
223 2 1 DG H2' 2 2 DC H6 4.000 . 5.000 3.725 3.725 3.725 . 0 0 "[ ]" 2
224 2 1 DG H8 2 2 DC H5 5.000 . 6.000 4.043 4.043 4.043 . 0 0 "[ ]" 2
225 2 2 DC H1' 2 2 DC H2'' 2.500 . 2.800 2.333 2.333 2.333 . 0 0 "[ ]" 2
226 2 2 DC H1' 2 2 DC H2' 3.000 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 2
227 2 2 DC H1' 2 2 DC H3' 4.000 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 2
228 2 2 DC H1' 2 2 DC H6 4.000 . 5.000 3.746 3.746 3.746 . 0 0 "[ ]" 2
229 2 2 DC H2' 2 2 DC H2'' 2.500 . 2.800 1.764 1.764 1.764 0.036 1 0 "[ ]" 2
230 2 2 DC H2'' 2 2 DC H3' 3.000 . 3.500 2.752 2.752 2.752 . 0 0 "[ ]" 2
231 2 2 DC H2'' 2 2 DC H5 5.000 . 6.000 5.537 5.537 5.537 . 0 0 "[ ]" 2
232 2 2 DC H2'' 2 2 DC H6 4.000 . 5.000 3.652 3.652 3.652 . 0 0 "[ ]" 2
233 2 2 DC H2' 2 2 DC H3' 3.000 . 3.500 2.296 2.296 2.296 . 0 0 "[ ]" 2
234 2 2 DC H2' 2 2 DC H5 5.000 . 6.000 4.314 4.314 4.314 . 0 0 "[ ]" 2
235 2 2 DC H2' 2 2 DC H6 3.000 . 3.500 2.193 2.193 2.193 . 0 0 "[ ]" 2
236 2 2 DC H3' 2 2 DC H5' 4.000 . 5.000 3.625 3.625 3.625 . 0 0 "[ ]" 2
237 2 2 DC H3' 2 2 DC H6 4.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 2
238 2 2 DC H5' 2 2 DC H6 4.000 . 5.000 3.755 3.755 3.755 . 0 0 "[ ]" 2
239 2 2 DC H5 2 2 DC H6 2.500 . 2.800 2.421 2.421 2.421 . 0 0 "[ ]" 2
240 2 2 DC H1' 2 3 DT H5' 3.000 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 2
241 2 2 DC H1' 2 3 DT H6 4.000 . 5.000 3.320 3.320 3.320 . 0 0 "[ ]" 2
242 2 2 DC H2'' 2 3 DT H5' 4.000 . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 2
243 2 2 DC H2'' 2 3 DT H6 2.500 . 2.800 2.102 2.102 2.102 . 0 0 "[ ]" 2
244 2 2 DC H2'' 2 3 DT M7 4.000 . 5.000 2.234 2.234 2.234 . 0 0 "[ ]" 2
245 2 2 DC H2' 2 3 DT H6 4.000 . 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 2
246 2 2 DC H2' 2 3 DT M7 4.000 . 5.000 2.461 2.461 2.461 . 0 0 "[ ]" 2
247 2 2 DC H3' 2 3 DT M7 4.000 . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 2
248 2 2 DC H5 2 3 DT M7 4.000 . 5.000 3.622 3.622 3.622 . 0 0 "[ ]" 2
249 2 2 DC H6 2 3 DT M7 3.000 . 3.500 3.173 3.173 3.173 . 0 0 "[ ]" 2
250 2 3 DT H1' 2 3 DT H2' 3.000 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 2
251 2 3 DT H1' 2 3 DT H2'' 3.000 . 3.500 2.330 2.330 2.330 . 0 0 "[ ]" 2
252 2 3 DT H1' 2 3 DT H3' 4.000 . 5.000 3.907 3.907 3.907 . 0 0 "[ ]" 2
253 2 3 DT H1' 2 3 DT H4' 5.000 . 6.000 3.317 3.317 3.317 . 0 0 "[ ]" 2
254 2 3 DT H1' 2 3 DT H6 5.000 . 6.000 3.728 3.728 3.728 . 0 0 "[ ]" 2
255 2 3 DT H2' 2 3 DT H2'' 2.500 . 2.800 1.735 1.735 1.735 0.065 1 0 "[ ]" 2
256 2 3 DT H2' 2 3 DT H3' 3.000 . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 2
257 2 3 DT H2' 2 3 DT H4' 4.000 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 2
258 2 3 DT H2' 2 3 DT H6 3.000 . 3.500 2.022 2.022 2.022 . 0 0 "[ ]" 2
259 2 3 DT H2'' 2 3 DT H3' 3.000 . 3.500 2.779 2.779 2.779 . 0 0 "[ ]" 2
260 2 3 DT H2'' 2 3 DT H4' 5.000 . 6.000 4.015 4.015 4.015 . 0 0 "[ ]" 2
261 2 3 DT H2'' 2 3 DT H6 3.000 . 3.500 3.476 3.476 3.476 . 0 0 "[ ]" 2
262 2 3 DT H3' 2 3 DT H4' 4.000 . 5.000 2.848 2.848 2.848 . 0 0 "[ ]" 2
263 2 3 DT H3' 2 3 DT H5' 4.000 . 5.000 3.609 3.609 3.609 . 0 0 "[ ]" 2
264 2 3 DT H3' 2 3 DT H5'' 4.000 . 5.000 2.585 2.585 2.585 . 0 0 "[ ]" 2
265 2 3 DT H3' 2 3 DT H6 4.000 . 5.000 3.809 3.809 3.809 . 0 0 "[ ]" 2
266 2 3 DT H4' 2 3 DT H5' 2.500 . 2.800 2.548 2.548 2.548 . 0 0 "[ ]" 2
267 2 3 DT H4' 2 3 DT H5'' 3.000 . 3.500 2.367 2.367 2.367 . 0 0 "[ ]" 2
268 2 3 DT H5' 2 3 DT H5'' 2.500 . 2.800 1.780 1.780 1.780 0.020 1 0 "[ ]" 2
269 2 3 DT H5' 2 3 DT H6 3.000 . 3.500 3.880 3.880 3.880 0.380 1 0 "[ ]" 2
270 2 3 DT H5'' 2 3 DT H6 4.000 . 5.000 4.507 4.507 4.507 . 0 0 "[ ]" 2
271 2 3 DT H6 2 3 DT M7 3.000 . 3.500 2.252 2.252 2.252 . 0 0 "[ ]" 2
272 2 3 DT H1' 2 4 DG H5' 3.000 . 3.500 1.980 1.980 1.980 . 0 0 "[ ]" 2
273 2 3 DT H1' 2 4 DG H8 4.000 . 5.000 3.318 3.318 3.318 . 0 0 "[ ]" 2
274 2 3 DT H2' 2 4 DG H5' 4.000 . 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 2
275 2 3 DT H2' 2 4 DG H8 3.000 . 3.500 3.667 3.667 3.667 0.167 1 0 "[ ]" 2
276 2 3 DT H2'' 2 4 DG H8 4.000 . 5.000 2.186 2.186 2.186 . 0 0 "[ ]" 2
277 2 3 DT H3 2 4 DG H1 4.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 2
278 2 4 DG H1' 2 4 DG H2'' 3.000 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 2
279 2 4 DG H1' 2 4 DG H2' 4.000 . 5.000 3.004 3.004 3.004 . 0 0 "[ ]" 2
280 2 4 DG H1' 2 4 DG H3' 5.000 . 6.000 3.886 3.886 3.886 . 0 0 "[ ]" 2
281 2 4 DG H1' 2 4 DG H8 5.000 . 6.000 3.927 3.927 3.927 . 0 0 "[ ]" 2
282 2 4 DG H2' 2 4 DG H2'' 2.500 . 2.800 1.776 1.776 1.776 0.024 1 0 "[ ]" 2
283 2 4 DG H2'' 2 4 DG H3' 4.000 . 5.000 2.759 2.759 2.759 . 0 0 "[ ]" 2
284 2 4 DG H2'' 2 4 DG H8 4.000 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 2
285 2 4 DG H2' 2 4 DG H3' 4.000 . 5.000 2.340 2.340 2.340 . 0 0 "[ ]" 2
286 2 4 DG H2' 2 4 DG H8 3.000 . 3.500 2.294 2.294 2.294 . 0 0 "[ ]" 2
287 2 4 DG H3' 2 4 DG H5' 4.000 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 2
288 2 4 DG H3' 2 4 DG H8 4.000 . 5.000 4.277 4.277 4.277 . 0 0 "[ ]" 2
289 2 4 DG H5' 2 4 DG H8 5.000 . 6.000 4.125 4.125 4.125 . 0 0 "[ ]" 2
290 2 4 DG H1' 2 5 DG H5' 3.000 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 2
291 2 4 DG H1' 2 5 DG H8 4.000 . 5.000 3.221 3.221 3.221 . 0 0 "[ ]" 2
292 2 4 DG H2'' 2 5 DG H5' 4.000 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 2
293 2 4 DG H2'' 2 5 DG H8 2.500 . 2.800 2.146 2.146 2.146 . 0 0 "[ ]" 2
294 2 4 DG H2' 2 5 DG H8 4.000 . 5.000 3.188 3.188 3.188 . 0 0 "[ ]" 2
295 2 4 DG H1 2 5 DG H1 4.000 . 5.000 3.169 3.169 3.169 . 0 0 "[ ]" 2
296 2 5 DG H1' 2 5 DG H2'' 2.500 . 2.800 2.404 2.404 2.404 . 0 0 "[ ]" 2
297 2 5 DG H1' 2 5 DG H2' 3.000 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 2
298 2 5 DG H1' 2 5 DG H3' 4.000 . 5.000 3.826 3.826 3.826 . 0 0 "[ ]" 2
299 2 5 DG H1' 2 5 DG H8 4.000 . 5.000 3.918 3.918 3.918 . 0 0 "[ ]" 2
300 2 5 DG H2' 2 5 DG H2'' 2.500 . 2.800 1.767 1.767 1.767 0.033 1 0 "[ ]" 2
301 2 5 DG H2'' 2 5 DG H3' 4.000 . 5.000 2.770 2.770 2.770 . 0 0 "[ ]" 2
302 2 5 DG H2'' 2 5 DG H8 4.000 . 5.000 3.610 3.610 3.610 . 0 0 "[ ]" 2
303 2 5 DG H2' 2 5 DG H3' 3.000 . 3.500 2.253 2.253 2.253 . 0 0 "[ ]" 2
304 2 5 DG H2' 2 5 DG H8 3.000 . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 2
305 2 5 DG H3' 2 5 DG H5' 4.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 2
306 2 5 DG H3' 2 5 DG H8 4.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 2
307 2 5 DG H5' 2 5 DG H8 4.000 . 5.000 4.786 4.786 4.786 . 0 0 "[ ]" 2
308 2 5 DG H1' 2 6 DC H5' 3.000 . 3.500 2.111 2.111 2.111 . 0 0 "[ ]" 2
309 2 5 DG H1' 2 6 DC H6 4.000 . 5.000 2.893 2.893 2.893 . 0 0 "[ ]" 2
310 2 5 DG H2'' 2 6 DC H5' 4.000 . 5.000 3.423 3.423 3.423 . 0 0 "[ ]" 2
311 2 5 DG H2'' 2 6 DC H6 3.000 . 3.500 2.137 2.137 2.137 . 0 0 "[ ]" 2
312 2 5 DG H2' 2 6 DC H6 4.000 . 5.000 3.792 3.792 3.792 . 0 0 "[ ]" 2
313 2 6 DC H1' 2 6 DC H2'' 3.000 . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 2
314 2 6 DC H1' 2 6 DC H2' 4.000 . 5.000 3.022 3.022 3.022 . 0 0 "[ ]" 2
315 2 6 DC H1' 2 6 DC H3' 4.000 . 5.000 3.903 3.903 3.903 . 0 0 "[ ]" 2
316 2 6 DC H1' 2 6 DC H6 5.000 . 6.000 3.727 3.727 3.727 . 0 0 "[ ]" 2
317 2 6 DC H2' 2 6 DC H2'' 2.500 . 2.800 1.760 1.760 1.760 0.040 1 0 "[ ]" 2
318 2 6 DC H2'' 2 6 DC H3' 2.500 . 2.800 2.753 2.753 2.753 . 0 0 "[ ]" 2
319 2 6 DC H2'' 2 6 DC H6 4.000 . 5.000 3.750 3.750 3.750 . 0 0 "[ ]" 2
320 2 6 DC H2' 2 6 DC H3' 3.000 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 2
321 2 6 DC H2' 2 6 DC H6 2.500 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 2
322 2 6 DC H3' 2 6 DC H5' 4.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 2
323 2 6 DC H3' 2 6 DC H6 4.000 . 5.000 3.818 3.818 3.818 . 0 0 "[ ]" 2
324 2 6 DC H5' 2 6 DC H6 5.000 . 6.000 3.406 3.406 3.406 . 0 0 "[ ]" 2
325 2 6 DC H5 2 6 DC H6 3.000 . 3.500 2.389 2.389 2.389 . 0 0 "[ ]" 2
326 2 6 DC H1' 2 7 DG H5' 3.000 . 3.500 2.859 2.859 2.859 . 0 0 "[ ]" 2
327 2 6 DC H1' 2 7 DG H8 4.000 . 5.000 3.985 3.985 3.985 . 0 0 "[ ]" 2
328 2 6 DC H2'' 2 7 DG H5' 4.000 . 5.000 2.912 2.912 2.912 . 0 0 "[ ]" 2
329 2 6 DC H2'' 2 7 DG H8 3.000 . 3.500 2.491 2.491 2.491 . 0 0 "[ ]" 2
330 2 6 DC H2' 2 7 DG H8 3.000 . 3.500 2.632 2.632 2.632 . 0 0 "[ ]" 2
331 2 7 DG H1' 2 7 DG H2'' 3.000 . 3.500 2.296 2.296 2.296 . 0 0 "[ ]" 2
332 2 7 DG H1' 2 7 DG H2' 3.000 . 3.500 3.014 3.014 3.014 . 0 0 "[ ]" 2
333 2 7 DG H1' 2 7 DG H3' 4.000 . 5.000 3.812 3.812 3.812 . 0 0 "[ ]" 2
334 2 7 DG H1' 2 7 DG H8 4.000 . 5.000 3.933 3.933 3.933 . 0 0 "[ ]" 2
335 2 7 DG H2' 2 7 DG H2'' 2.500 . 2.800 1.771 1.771 1.771 0.029 1 0 "[ ]" 2
336 2 7 DG H2'' 2 7 DG H3' 3.000 . 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 2
337 2 7 DG H2'' 2 7 DG H8 4.000 . 5.000 3.858 3.858 3.858 . 0 0 "[ ]" 2
338 2 7 DG H2' 2 7 DG H3' 2.500 . 2.800 2.187 2.187 2.187 . 0 0 "[ ]" 2
339 2 7 DG H2' 2 7 DG H8 3.000 . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 2
340 2 7 DG H3' 2 7 DG H8 4.000 . 5.000 3.855 3.855 3.855 . 0 0 "[ ]" 2
341 2 7 DG H5' 2 7 DG H8 5.000 . 6.000 5.001 5.001 5.001 . 0 0 "[ ]" 2
342 2 7 DG H1' 2 8 DG H5' 3.000 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 2
343 2 7 DG H1' 2 8 DG H8 3.000 . 3.500 3.855 3.855 3.855 0.355 1 0 "[ ]" 2
344 2 7 DG H2'' 2 8 DG H5' 4.000 . 5.000 2.786 2.786 2.786 . 0 0 "[ ]" 2
345 2 7 DG H2'' 2 8 DG H8 3.000 . 3.500 2.135 2.135 2.135 . 0 0 "[ ]" 2
346 2 7 DG H2' 2 8 DG H8 3.000 . 3.500 3.092 3.092 3.092 . 0 0 "[ ]" 2
347 2 7 DG H1 2 8 DG H1 4.000 . 5.000 3.179 3.179 3.179 . 0 0 "[ ]" 2
348 2 8 DG H1' 2 8 DG H2'' 2.500 . 2.800 2.395 2.395 2.395 . 0 0 "[ ]" 2
349 2 8 DG H1' 2 8 DG H3' 4.000 . 5.000 3.833 3.833 3.833 . 0 0 "[ ]" 2
350 2 8 DG H1' 2 8 DG H4' 4.000 . 5.000 3.083 3.083 3.083 . 0 0 "[ ]" 2
351 2 8 DG H1' 2 8 DG H8 4.000 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 2
352 2 8 DG H2'' 2 8 DG H3' 2.500 . 2.800 2.723 2.723 2.723 . 0 0 "[ ]" 2
353 2 8 DG H2'' 2 8 DG H4' 4.000 . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 2
354 2 8 DG H2'' 2 8 DG H8 4.000 . 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 2
355 2 8 DG H3' 2 8 DG H4' 4.000 . 5.000 2.872 2.872 2.872 . 0 0 "[ ]" 2
356 2 8 DG H3' 2 8 DG H5' 4.000 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 2
357 2 8 DG H3' 2 8 DG H8 4.000 . 5.000 4.301 4.301 4.301 . 0 0 "[ ]" 2
358 2 8 DG H4' 2 8 DG H5' 5.000 . 6.000 2.527 2.527 2.527 . 0 0 "[ ]" 2
359 2 8 DG H5' 2 8 DG H8 4.000 . 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 2
360 2 8 DG H1' 2 9 DC H5' 3.000 . 3.500 2.514 2.514 2.514 . 0 0 "[ ]" 2
361 2 8 DG H1' 2 9 DC H6 3.000 . 3.500 3.259 3.259 3.259 . 0 0 "[ ]" 2
362 2 8 DG H2'' 2 9 DC H5' 4.000 . 5.000 3.494 3.494 3.494 . 0 0 "[ ]" 2
363 2 8 DG H2'' 2 9 DC H5 4.000 . 5.000 2.639 2.639 2.639 . 0 0 "[ ]" 2
364 2 8 DG H2'' 2 9 DC H6 2.500 . 2.800 2.059 2.059 2.059 . 0 0 "[ ]" 2
365 2 8 DG H8 2 9 DC H5 5.000 . 6.000 3.560 3.560 3.560 . 0 0 "[ ]" 2
366 2 9 DC H1' 2 9 DC H2'' 2.500 . 2.800 2.290 2.290 2.290 . 0 0 "[ ]" 2
367 2 9 DC H1' 2 9 DC H2' 4.000 . 5.000 3.010 3.010 3.010 . 0 0 "[ ]" 2
368 2 9 DC H2' 2 9 DC H2'' 2.500 . 2.800 1.771 1.771 1.771 0.029 1 0 "[ ]" 2
369 2 9 DC H2'' 2 9 DC H3' 3.000 . 3.500 2.818 2.818 2.818 . 0 0 "[ ]" 2
370 2 9 DC H2'' 2 9 DC H6 4.000 . 5.000 3.749 3.749 3.749 . 0 0 "[ ]" 2
371 2 9 DC H2' 2 9 DC H3' 2.500 . 2.800 2.234 2.234 2.234 . 0 0 "[ ]" 2
372 2 9 DC H2' 2 9 DC H5 4.000 . 5.000 4.395 4.395 4.395 . 0 0 "[ ]" 2
373 2 9 DC H2' 2 9 DC H6 3.000 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 2
374 2 9 DC H3' 2 9 DC H5' 4.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 2
375 2 9 DC H3' 2 9 DC H6 4.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 2
376 2 9 DC H5' 2 9 DC H6 4.000 . 5.000 3.876 3.876 3.876 . 0 0 "[ ]" 2
377 2 9 DC H5 2 9 DC H6 3.000 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 2
378 2 9 DC H1' 2 10 DT H5' 3.000 . 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 2
379 2 9 DC H2'' 2 10 DT H5' 4.000 . 5.000 2.883 2.883 2.883 . 0 0 "[ ]" 2
380 2 9 DC H2'' 2 10 DT H6 3.000 . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 2
381 2 9 DC H2'' 2 10 DT M7 4.000 . 5.000 2.924 2.924 2.924 . 0 0 "[ ]" 2
382 2 9 DC H2' 2 10 DT H6 4.000 . 5.000 2.959 2.959 2.959 . 0 0 "[ ]" 2
383 2 9 DC H2' 2 10 DT M7 3.000 . 3.500 2.239 2.239 2.239 . 0 0 "[ ]" 2
384 2 9 DC H3' 2 10 DT M7 5.000 . 6.000 3.898 3.898 3.898 . 0 0 "[ ]" 2
385 2 9 DC H5 2 10 DT M7 4.000 . 5.000 3.151 3.151 3.151 . 0 0 "[ ]" 2
386 2 9 DC H6 2 10 DT M7 5.000 . 6.000 2.662 2.662 2.662 . 0 0 "[ ]" 2
387 2 10 DT H1' 2 10 DT H2' 3.000 . 3.500 3.046 3.046 3.046 . 0 0 "[ ]" 2
388 2 10 DT H1' 2 10 DT H2'' 3.000 . 3.500 2.408 2.408 2.408 . 0 0 "[ ]" 2
389 2 10 DT H1' 2 10 DT H6 5.000 . 6.000 3.752 3.752 3.752 . 0 0 "[ ]" 2
390 2 10 DT H2' 2 10 DT H2'' 2.500 . 2.800 1.754 1.754 1.754 0.046 1 0 "[ ]" 2
391 2 10 DT H2' 2 10 DT H6 4.000 . 5.000 2.059 2.059 2.059 . 0 0 "[ ]" 2
392 2 10 DT H2'' 2 10 DT H6 3.000 . 3.500 3.423 3.423 3.423 . 0 0 "[ ]" 2
393 2 10 DT H5' 2 10 DT H6 5.000 . 6.000 4.317 4.317 4.317 . 0 0 "[ ]" 2
394 2 10 DT H6 2 10 DT M7 3.000 . 3.500 2.231 2.231 2.231 . 0 0 "[ ]" 2
395 2 10 DT H1' 2 11 DA H5' 3.000 . 3.500 2.230 2.230 2.230 . 0 0 "[ ]" 2
396 2 10 DT H1' 2 11 DA H8 5.000 . 6.000 3.333 3.333 3.333 . 0 0 "[ ]" 2
397 2 10 DT H2' 2 11 DA H5' 4.000 . 5.000 4.842 4.842 4.842 . 0 0 "[ ]" 2
398 2 10 DT H2' 2 11 DA H8 3.000 . 3.500 3.736 3.736 3.736 0.236 1 0 "[ ]" 2
399 2 10 DT H2'' 2 11 DA H8 4.000 . 5.000 2.086 2.086 2.086 . 0 0 "[ ]" 2
400 2 10 DT H3 2 11 DA H2 4.000 . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 2
401 2 11 DA H1' 2 11 DA H2' 2.500 . 2.800 3.002 3.002 3.002 0.202 1 0 "[ ]" 2
402 2 11 DA H1' 2 11 DA H2'' 3.000 . 3.500 2.312 2.312 2.312 . 0 0 "[ ]" 2
403 2 11 DA H1' 2 11 DA H3' 5.000 . 6.000 3.944 3.944 3.944 . 0 0 "[ ]" 2
404 2 11 DA H1' 2 11 DA H8 4.000 . 5.000 3.866 3.866 3.866 . 0 0 "[ ]" 2
405 2 11 DA H2' 2 11 DA H2'' 3.000 . 3.500 1.731 1.731 1.731 0.069 1 0 "[ ]" 2
406 2 11 DA H2' 2 11 DA H3' 3.000 . 3.500 2.317 2.317 2.317 . 0 0 "[ ]" 2
407 2 11 DA H2' 2 11 DA H8 4.000 . 5.000 2.095 2.095 2.095 . 0 0 "[ ]" 2
408 2 11 DA H2'' 2 11 DA H3' 3.000 . 3.500 2.768 2.768 2.768 . 0 0 "[ ]" 2
409 2 11 DA H2'' 2 11 DA H8 3.000 . 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 2
410 2 11 DA H3' 2 11 DA H4' 4.000 . 5.000 2.758 2.758 2.758 . 0 0 "[ ]" 2
411 2 11 DA H3' 2 11 DA H5' 4.000 . 5.000 3.682 3.682 3.682 . 0 0 "[ ]" 2
412 2 11 DA H3' 2 11 DA H5'' 4.000 . 5.000 2.631 2.631 2.631 . 0 0 "[ ]" 2
413 2 11 DA H3' 2 11 DA H8 4.000 . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 2
414 2 11 DA H4' 2 11 DA H5' 3.000 . 3.500 2.543 2.543 2.543 . 0 0 "[ ]" 2
415 2 11 DA H4' 2 11 DA H5'' 4.000 . 5.000 2.353 2.353 2.353 . 0 0 "[ ]" 2
416 2 11 DA H5' 2 11 DA H5'' 2.500 . 2.800 1.771 1.771 1.771 0.029 1 0 "[ ]" 2
417 2 11 DA H5' 2 11 DA H8 3.000 . 3.500 3.947 3.947 3.947 0.447 1 0 "[ ]" 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 31
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 1.056
_Distance_constraint_stats_list.Viol_max 1.056
_Distance_constraint_stats_list.Viol_rms 0.1913
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0341
_Distance_constraint_stats_list.Viol_average_violations_only 1.0561
_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 1 DT 0.000 0.000 . 0 "[ ]"
1 2 DA 0.000 0.000 . 0 "[ ]"
1 3 DG 0.000 0.000 . 0 "[ ]"
1 4 DC 0.000 0.000 . 0 "[ ]"
2 3 DT 0.000 0.000 . 0 "[ ]"
2 4 DG 0.000 0.000 . 0 "[ ]"
2 6 DC 1.056 1.056 1 1 [+]
3 7 ARG 1.056 1.056 1 1 [+]
3 11 TRP 0.000 0.000 . 0 "[ ]"
3 19 ARG 0.000 0.000 . 0 "[ ]"
3 29 TRP 0.000 0.000 . 0 "[ ]"
3 32 THR 0.000 0.000 . 0 "[ ]"
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 DT H2' 3 11 TRP HE1 5.000 . 6.000 3.160 3.160 3.160 . 0 0 "[ ]" 3
2 1 1 DT H2' 3 11 TRP HZ2 4.000 . 5.000 3.792 3.792 3.792 . 0 0 "[ ]" 3
3 1 1 DT H2'' 3 11 TRP HZ2 4.000 . 5.000 2.936 2.936 2.936 . 0 0 "[ ]" 3
4 1 1 DT H6 3 11 TRP HZ2 5.000 . 6.000 4.765 4.765 4.765 . 0 0 "[ ]" 3
5 1 1 DT M7 3 11 TRP HZ3 5.000 . 6.000 2.801 2.801 2.801 . 0 0 "[ ]" 3
6 1 2 DA H8 3 11 TRP HZ2 3.000 . 3.500 2.555 2.555 2.555 . 0 0 "[ ]" 3
7 1 2 DA H2' 3 29 TRP HE1 5.000 . 6.000 4.736 4.736 4.736 . 0 0 "[ ]" 3
8 1 2 DA H2' 3 29 TRP HZ2 5.000 . 6.000 3.796 3.796 3.796 . 0 0 "[ ]" 3
9 1 2 DA H3' 3 32 THR HB 4.000 . 5.000 3.617 3.617 3.617 . 0 0 "[ ]" 3
10 1 2 DA H3' 3 32 THR MG 5.000 . 6.000 2.514 2.514 2.514 . 0 0 "[ ]" 3
11 1 3 DG H2'' 3 29 TRP HD1 5.000 . 6.000 4.730 4.730 4.730 . 0 0 "[ ]" 3
12 1 3 DG H3' 3 29 TRP HE1 4.000 . 5.000 3.609 3.609 3.609 . 0 0 "[ ]" 3
13 1 3 DG H8 3 29 TRP HE1 4.000 . 5.000 3.901 3.901 3.901 . 0 0 "[ ]" 3
14 1 3 DG H8 3 29 TRP HZ2 4.000 . 5.000 2.370 2.370 2.370 . 0 0 "[ ]" 3
15 1 3 DG H8 3 29 TRP HH2 4.000 . 5.000 3.366 3.366 3.366 . 0 0 "[ ]" 3
16 1 4 DC H5 3 29 TRP HE3 4.000 . 5.000 3.192 3.192 3.192 . 0 0 "[ ]" 3
17 1 4 DC H5 3 29 TRP HZ3 4.000 . 5.000 2.674 2.674 2.674 . 0 0 "[ ]" 3
18 1 4 DC H5 3 29 TRP HH2 5.000 . 6.000 3.295 3.295 3.295 . 0 0 "[ ]" 3
19 1 4 DC H6 3 29 TRP HB2 5.000 . 6.000 4.689 4.689 4.689 . 0 0 "[ ]" 3
20 2 3 DT H2'' 3 19 ARG HE 5.000 . 6.000 3.414 3.414 3.414 . 0 0 "[ ]" 3
21 2 3 DT H3' 3 19 ARG HE 5.000 . 6.000 5.368 5.368 5.368 . 0 0 "[ ]" 3
22 2 3 DT H3' 3 19 ARG QD 5.000 . 6.000 4.085 4.085 4.085 . 0 0 "[ ]" 3
23 2 3 DT H6 3 19 ARG HE 5.000 . 6.000 3.376 3.376 3.376 . 0 0 "[ ]" 3
24 2 3 DT H6 3 19 ARG QD 3.000 . 3.500 2.119 2.119 2.119 . 0 0 "[ ]" 3
25 2 3 DT M7 3 19 ARG HE 4.000 . 5.000 3.127 3.127 3.127 . 0 0 "[ ]" 3
26 2 3 DT M7 3 19 ARG QD 5.000 . 6.000 2.108 2.108 2.108 . 0 0 "[ ]" 3
27 2 4 DG H8 3 19 ARG QB 5.000 2.800 6.000 3.066 3.066 3.066 . 0 0 "[ ]" 3
28 2 4 DG H8 3 19 ARG HE 5.000 2.800 6.000 3.320 3.320 3.320 . 0 0 "[ ]" 3
29 2 6 DC H5 3 7 ARG QG 5.000 . 6.000 3.051 3.051 3.051 . 0 0 "[ ]" 3
30 2 6 DC H5 3 7 ARG QD 4.000 . 5.000 2.492 2.492 2.492 . 0 0 "[ ]" 3
31 2 6 DC H6 3 7 ARG QD 3.000 . 3.500 4.556 4.556 4.556 1.056 1 1 [+] 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 6.425
_Distance_constraint_stats_list.Viol_max 1.845
_Distance_constraint_stats_list.Viol_rms 0.3719
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1071
_Distance_constraint_stats_list.Viol_average_violations_only 0.7139
_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
3 3 TYR 0.000 0.000 . 0 "[ ]"
3 5 GLY 0.000 0.000 . 0 "[ ]"
3 6 VAL 0.000 0.000 . 0 "[ ]"
3 7 ARG 0.000 0.000 . 0 "[ ]"
3 9 ARG 0.000 0.000 . 0 "[ ]"
3 13 LYS 0.000 0.000 . 0 "[ ]"
3 14 PHE 0.000 0.000 . 0 "[ ]"
3 15 ALA 0.000 0.000 . 0 "[ ]"
3 16 ALA 0.734 0.513 1 1 [+]
3 17 GLU 0.000 0.000 . 0 "[ ]"
3 18 ILE 0.000 0.000 . 0 "[ ]"
3 20 ASP 0.105 0.105 1 0 "[ ]"
3 22 ALA 0.000 0.000 . 0 "[ ]"
3 26 ALA 0.105 0.105 1 0 "[ ]"
3 28 VAL 0.000 0.000 . 0 "[ ]"
3 30 LEU 0.000 0.000 . 0 "[ ]"
3 31 GLY 0.734 0.513 1 1 [+]
3 33 PHE 0.000 0.000 . 0 "[ ]"
3 35 THR 5.566 1.845 1 1 [+]
3 36 ALA 0.000 0.000 . 0 "[ ]"
3 37 GLU 1.707 1.150 1 1 [+]
3 38 ASP 3.859 1.845 1 1 [+]
3 39 ALA 0.000 0.000 . 0 "[ ]"
3 40 ALA 0.000 0.000 . 0 "[ ]"
3 41 LEU 0.000 0.000 . 0 "[ ]"
3 42 ALA 0.000 0.000 . 0 "[ ]"
3 43 TYR 0.000 0.000 . 0 "[ ]"
3 44 ASP 0.020 0.020 1 0 "[ ]"
3 45 ARG 0.000 0.000 . 0 "[ ]"
3 46 ALA 0.000 0.000 . 0 "[ ]"
3 47 ALA 0.000 0.000 . 0 "[ ]"
3 48 PHE 0.020 0.020 1 0 "[ ]"
3 49 ARG 0.000 0.000 . 0 "[ ]"
3 50 MET 0.000 0.000 . 0 "[ ]"
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 3 3 TYR O 3 6 VAL H 2.300 . 2.500 2.145 2.145 2.145 . 0 0 "[ ]" 4
2 3 3 TYR O 3 6 VAL N 3.300 2.500 3.500 3.024 3.024 3.024 . 0 0 "[ ]" 4
3 3 7 ARG H 3 15 ALA O 2.300 . 2.500 2.109 2.109 2.109 . 0 0 "[ ]" 4
4 3 7 ARG N 3 15 ALA O 3.300 2.500 3.500 3.103 3.103 3.103 . 0 0 "[ ]" 4
5 3 9 ARG H 3 13 LYS O 2.300 . 2.500 1.818 1.818 1.818 . 0 0 "[ ]" 4
6 3 9 ARG N 3 13 LYS O 3.300 2.500 3.500 2.824 2.824 2.824 . 0 0 "[ ]" 4
7 3 14 PHE H 3 33 PHE O 2.300 . 2.500 2.316 2.316 2.316 . 0 0 "[ ]" 4
8 3 14 PHE N 3 33 PHE O 3.300 2.500 3.500 3.270 3.270 3.270 . 0 0 "[ ]" 4
9 3 7 ARG O 3 15 ALA H 2.300 . 2.500 2.117 2.117 2.117 . 0 0 "[ ]" 4
10 3 7 ARG O 3 15 ALA N 3.300 2.500 3.500 3.108 3.108 3.108 . 0 0 "[ ]" 4
11 3 16 ALA H 3 31 GLY O 2.300 . 2.500 2.235 2.235 2.235 . 0 0 "[ ]" 4
12 3 16 ALA N 3 31 GLY O 3.300 2.500 3.500 3.167 3.167 3.167 . 0 0 "[ ]" 4
13 3 5 GLY O 3 17 GLU H 2.300 . 2.500 2.074 2.074 2.074 . 0 0 "[ ]" 4
14 3 5 GLY O 3 17 GLU N 3.300 2.500 3.500 3.068 3.068 3.068 . 0 0 "[ ]" 4
15 3 18 ILE H 3 28 VAL O 2.300 . 2.500 2.312 2.312 2.312 . 0 0 "[ ]" 4
16 3 18 ILE N 3 28 VAL O 3.300 2.500 3.500 3.211 3.211 3.211 . 0 0 "[ ]" 4
17 3 20 ASP H 3 26 ALA O 2.300 . 2.500 1.839 1.839 1.839 . 0 0 "[ ]" 4
18 3 20 ASP N 3 26 ALA O 3.300 2.500 3.500 2.845 2.845 2.845 . 0 0 "[ ]" 4
19 3 20 ASP O 3 26 ALA H 2.300 . 2.500 2.605 2.605 2.605 0.105 1 0 "[ ]" 4
20 3 20 ASP O 3 26 ALA N 3.300 2.500 3.500 3.219 3.219 3.219 . 0 0 "[ ]" 4
21 3 18 ILE O 3 28 VAL H 2.300 . 2.500 2.192 2.192 2.192 . 0 0 "[ ]" 4
22 3 18 ILE O 3 28 VAL N 3.300 2.500 3.500 2.956 2.956 2.956 . 0 0 "[ ]" 4
23 3 16 ALA O 3 30 LEU H 2.300 . 2.500 2.053 2.053 2.053 . 0 0 "[ ]" 4
24 3 16 ALA O 3 30 LEU N 3.300 2.500 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 4
25 3 16 ALA O 3 31 GLY H 2.300 . 2.500 3.013 3.013 3.013 0.513 1 1 [+] 4
26 3 16 ALA O 3 31 GLY N 3.300 2.500 3.500 3.721 3.721 3.721 0.221 1 0 "[ ]" 4
27 3 14 PHE O 3 33 PHE H 2.300 . 2.500 1.998 1.998 1.998 . 0 0 "[ ]" 4
28 3 14 PHE O 3 33 PHE N 3.300 2.500 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 4
29 3 35 THR O 3 39 ALA H 2.300 . 2.500 2.258 2.258 2.258 . 0 0 "[ ]" 4
30 3 35 THR O 3 39 ALA N 3.300 2.500 3.500 3.218 3.218 3.218 . 0 0 "[ ]" 4
31 3 36 ALA O 3 40 ALA H 2.300 . 2.500 2.031 2.031 2.031 . 0 0 "[ ]" 4
32 3 36 ALA O 3 40 ALA N 3.300 2.500 3.500 2.952 2.952 2.952 . 0 0 "[ ]" 4
33 3 37 GLU O 3 41 LEU H 2.300 . 2.500 2.180 2.180 2.180 . 0 0 "[ ]" 4
34 3 37 GLU O 3 41 LEU N 3.300 2.500 3.500 2.981 2.981 2.981 . 0 0 "[ ]" 4
35 3 38 ASP O 3 42 ALA H 2.300 . 2.500 2.178 2.178 2.178 . 0 0 "[ ]" 4
36 3 38 ASP O 3 42 ALA N 3.300 2.500 3.500 2.961 2.961 2.961 . 0 0 "[ ]" 4
37 3 39 ALA O 3 43 TYR H 2.300 . 2.500 2.226 2.226 2.226 . 0 0 "[ ]" 4
38 3 39 ALA O 3 43 TYR N 3.300 2.500 3.500 3.206 3.206 3.206 . 0 0 "[ ]" 4
39 3 40 ALA O 3 44 ASP H 2.300 . 2.500 2.166 2.166 2.166 . 0 0 "[ ]" 4
40 3 40 ALA O 3 44 ASP N 3.300 2.500 3.500 3.062 3.062 3.062 . 0 0 "[ ]" 4
41 3 41 LEU O 3 45 ARG H 2.300 . 2.500 2.450 2.450 2.450 . 0 0 "[ ]" 4
42 3 41 LEU O 3 45 ARG N 3.300 2.500 3.500 3.415 3.415 3.415 . 0 0 "[ ]" 4
43 3 42 ALA O 3 46 ALA H 2.300 . 2.500 2.090 2.090 2.090 . 0 0 "[ ]" 4
44 3 42 ALA O 3 46 ALA N 3.300 2.500 3.500 3.043 3.043 3.043 . 0 0 "[ ]" 4
45 3 43 TYR O 3 47 ALA H 2.300 . 2.500 1.917 1.917 1.917 . 0 0 "[ ]" 4
46 3 43 TYR O 3 47 ALA N 3.300 2.500 3.500 2.928 2.928 2.928 . 0 0 "[ ]" 4
47 3 44 ASP O 3 48 PHE H 2.300 . 2.500 2.520 2.520 2.520 0.020 1 0 "[ ]" 4
48 3 44 ASP O 3 48 PHE N 3.300 2.500 3.500 3.444 3.444 3.444 . 0 0 "[ ]" 4
49 3 45 ARG O 3 49 ARG H 2.300 . 2.500 2.066 2.066 2.066 . 0 0 "[ ]" 4
50 3 45 ARG O 3 49 ARG N 3.300 2.500 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 4
51 3 46 ALA O 3 50 MET H 2.300 . 2.500 2.263 2.263 2.263 . 0 0 "[ ]" 4
52 3 46 ALA O 3 50 MET N 3.300 2.500 3.500 3.258 3.258 3.258 . 0 0 "[ ]" 4
53 3 20 ASP OD1 3 22 ALA H 2.300 . 2.500 2.293 2.293 2.293 . 0 0 "[ ]" 4
54 3 20 ASP OD1 3 22 ALA N 3.300 2.500 3.500 2.991 2.991 2.991 . 0 0 "[ ]" 4
55 3 35 THR H 3 38 ASP OD2 2.300 . 2.500 4.341 4.341 4.341 1.841 1 1 [+] 4
56 3 35 THR N 3 38 ASP OD2 3.300 2.500 3.500 5.345 5.345 5.345 1.845 1 1 [+] 4
57 3 35 THR OG1 3 37 GLU H 2.300 . 2.500 3.650 3.650 3.650 1.150 1 1 [+] 4
58 3 35 THR OG1 3 37 GLU N 3.300 2.500 3.500 4.057 4.057 4.057 0.557 1 1 [+] 4
59 3 35 THR OG1 3 38 ASP H 2.300 . 2.500 2.672 2.672 2.672 0.172 1 0 "[ ]" 4
60 3 35 THR OG1 3 38 ASP N 3.300 2.500 3.500 3.394 3.394 3.394 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 41
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 1 DT 0.000 0.000 . 0 "[ ]"
1 2 DA 0.000 0.000 . 0 "[ ]"
1 3 DG 0.000 0.000 . 0 "[ ]"
1 4 DC 0.000 0.000 . 0 "[ ]"
1 5 DC 0.000 0.000 . 0 "[ ]"
1 6 DG 0.000 0.000 . 0 "[ ]"
1 7 DC 0.000 0.000 . 0 "[ ]"
1 8 DC 0.000 0.000 . 0 "[ ]"
1 9 DA 0.000 0.000 . 0 "[ ]"
1 10 DG 0.000 0.000 . 0 "[ ]"
1 11 DC 0.000 0.000 . 0 "[ ]"
2 1 DG 0.000 0.000 . 0 "[ ]"
2 2 DC 0.000 0.000 . 0 "[ ]"
2 3 DT 0.000 0.000 . 0 "[ ]"
2 4 DG 0.000 0.000 . 0 "[ ]"
2 5 DG 0.000 0.000 . 0 "[ ]"
2 6 DC 0.000 0.000 . 0 "[ ]"
2 7 DG 0.000 0.000 . 0 "[ ]"
2 8 DG 0.000 0.000 . 0 "[ ]"
2 9 DC 0.000 0.000 . 0 "[ ]"
2 10 DT 0.000 0.000 . 0 "[ ]"
2 11 DA 0.000 0.000 . 0 "[ ]"
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 DT O4 2 11 DA N6 2.950 2.750 3.150 2.781 2.781 2.781 . 0 0 "[ ]" 5
2 1 1 DT H3 2 11 DA N1 1.820 . 2.020 1.843 1.843 1.843 . 0 0 "[ ]" 5
3 1 1 DT N3 2 11 DA N1 2.820 2.620 3.020 2.837 2.837 2.837 . 0 0 "[ ]" 5
4 1 2 DA N6 2 10 DT O4 2.950 2.750 3.150 2.787 2.787 2.787 . 0 0 "[ ]" 5
5 1 2 DA N1 2 10 DT H3 1.820 . 2.020 1.841 1.841 1.841 . 0 0 "[ ]" 5
6 1 2 DA N1 2 10 DT N3 2.820 2.620 3.020 2.823 2.823 2.823 . 0 0 "[ ]" 5
7 1 3 DG N2 2 9 DC O2 2.860 2.660 3.060 2.842 2.842 2.842 . 0 0 "[ ]" 5
8 1 3 DG H1 2 9 DC N3 1.950 . 2.150 1.936 1.936 1.936 . 0 0 "[ ]" 5
9 1 3 DG N1 2 9 DC N3 2.950 2.750 3.150 2.900 2.900 2.900 . 0 0 "[ ]" 5
10 1 3 DG O6 2 9 DC N4 2.910 2.710 3.110 2.846 2.846 2.846 . 0 0 "[ ]" 5
11 1 4 DC O2 2 8 DG N2 2.860 2.660 3.060 2.924 2.924 2.924 . 0 0 "[ ]" 5
12 1 4 DC N3 2 8 DG H1 1.950 . 2.150 1.904 1.904 1.904 . 0 0 "[ ]" 5
13 1 4 DC N3 2 8 DG N1 2.950 2.750 3.150 2.886 2.886 2.886 . 0 0 "[ ]" 5
14 1 4 DC N4 2 8 DG O6 2.910 2.710 3.110 2.781 2.781 2.781 . 0 0 "[ ]" 5
15 1 5 DC O2 2 7 DG N2 2.860 2.660 3.060 2.825 2.825 2.825 . 0 0 "[ ]" 5
16 1 5 DC N3 2 7 DG H1 1.950 . 2.150 1.891 1.891 1.891 . 0 0 "[ ]" 5
17 1 5 DC N3 2 7 DG N1 2.950 2.750 3.150 2.852 2.852 2.852 . 0 0 "[ ]" 5
18 1 5 DC N4 2 7 DG O6 2.910 2.710 3.110 2.827 2.827 2.827 . 0 0 "[ ]" 5
19 1 6 DG N2 2 6 DC O2 2.860 2.660 3.060 2.889 2.889 2.889 . 0 0 "[ ]" 5
20 1 6 DG H1 2 6 DC N3 1.950 . 2.150 1.899 1.899 1.899 . 0 0 "[ ]" 5
21 1 6 DG N1 2 6 DC N3 2.950 2.750 3.150 2.904 2.904 2.904 . 0 0 "[ ]" 5
22 1 6 DG O6 2 6 DC N4 2.910 2.710 3.110 2.827 2.827 2.827 . 0 0 "[ ]" 5
23 1 7 DC O2 2 5 DG N2 2.860 2.660 3.060 2.900 2.900 2.900 . 0 0 "[ ]" 5
24 1 7 DC N3 2 5 DG H1 1.950 . 2.150 1.915 1.915 1.915 . 0 0 "[ ]" 5
25 1 7 DC N3 2 5 DG N1 2.950 2.750 3.150 2.915 2.915 2.915 . 0 0 "[ ]" 5
26 1 7 DC N4 2 5 DG O6 2.910 2.710 3.110 2.812 2.812 2.812 . 0 0 "[ ]" 5
27 1 8 DC O2 2 4 DG N2 2.860 2.660 3.060 2.803 2.803 2.803 . 0 0 "[ ]" 5
28 1 8 DC N3 2 4 DG H1 1.950 . 2.150 1.882 1.882 1.882 . 0 0 "[ ]" 5
29 1 8 DC N3 2 4 DG N1 2.950 2.750 3.150 2.884 2.884 2.884 . 0 0 "[ ]" 5
30 1 8 DC N4 2 4 DG O6 2.910 2.710 3.110 2.884 2.884 2.884 . 0 0 "[ ]" 5
31 1 9 DA N6 2 3 DT O4 2.950 2.750 3.150 2.827 2.827 2.827 . 0 0 "[ ]" 5
32 1 9 DA N1 2 3 DT H3 1.820 . 2.020 1.822 1.822 1.822 . 0 0 "[ ]" 5
33 1 9 DA N1 2 3 DT N3 2.820 2.620 3.020 2.815 2.815 2.815 . 0 0 "[ ]" 5
34 1 10 DG N2 2 2 DC O2 2.860 2.660 3.060 2.826 2.826 2.826 . 0 0 "[ ]" 5
35 1 10 DG H1 2 2 DC N3 1.950 . 2.150 1.932 1.932 1.932 . 0 0 "[ ]" 5
36 1 10 DG N1 2 2 DC N3 2.950 2.750 3.150 2.871 2.871 2.871 . 0 0 "[ ]" 5
37 1 10 DG O6 2 2 DC N4 2.910 2.710 3.110 2.797 2.797 2.797 . 0 0 "[ ]" 5
38 1 11 DC O2 2 1 DG N2 2.860 2.660 3.060 2.840 2.840 2.840 . 0 0 "[ ]" 5
39 1 11 DC N3 2 1 DG H1 1.950 . 2.150 1.955 1.955 1.955 . 0 0 "[ ]" 5
40 1 11 DC N3 2 1 DG N1 2.950 2.750 3.150 2.891 2.891 2.891 . 0 0 "[ ]" 5
41 1 11 DC N4 2 1 DG O6 2.910 2.710 3.110 2.833 2.833 2.833 . 0 0 "[ ]" 5
stop_
save_
Contact the webmaster for help, if required. Thursday, April 25, 2024 8:50:46 PM GMT (wattos1)