NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
530251 |
2lh0   |
17832 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lh0
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 926
_Distance_constraint_stats_list.Viol_count 728
_Distance_constraint_stats_list.Viol_total 194.639
_Distance_constraint_stats_list.Viol_max 0.113
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0134
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.003 0.003 20 0 "[ . 1 . 2]"
1 7 LEU 0.071 0.033 14 0 "[ . 1 . 2]"
1 8 PHE 0.158 0.033 14 0 "[ . 1 . 2]"
1 9 LEU 0.045 0.008 2 0 "[ . 1 . 2]"
1 10 ASP 0.005 0.002 16 0 "[ . 1 . 2]"
1 11 GLU 0.022 0.005 2 0 "[ . 1 . 2]"
1 12 LEU 0.016 0.005 7 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.009 0.009 16 0 "[ . 1 . 2]"
1 16 LEU 0.016 0.005 13 0 "[ . 1 . 2]"
1 17 SER 0.003 0.003 5 0 "[ . 1 . 2]"
1 18 ARG 0.009 0.009 16 0 "[ . 1 . 2]"
1 19 LYS 0.254 0.018 11 0 "[ . 1 . 2]"
1 20 ILE 0.075 0.011 3 0 "[ . 1 . 2]"
1 21 GLY 0.050 0.010 12 0 "[ . 1 . 2]"
1 22 THR 0.334 0.018 11 0 "[ . 1 . 2]"
1 23 VAL 0.224 0.031 9 0 "[ . 1 . 2]"
1 24 VAL 0.178 0.031 9 0 "[ . 1 . 2]"
1 25 ARG 0.045 0.014 6 0 "[ . 1 . 2]"
1 26 VAL 0.147 0.023 19 0 "[ . 1 . 2]"
1 27 LEU 1.946 0.089 9 0 "[ . 1 . 2]"
1 28 PRO 0.007 0.007 2 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 1.383 0.089 9 0 "[ . 1 . 2]"
1 31 LEU 0.944 0.052 20 0 "[ . 1 . 2]"
1 32 GLU 0.042 0.008 11 0 "[ . 1 . 2]"
1 33 ILE 0.048 0.011 2 0 "[ . 1 . 2]"
1 34 PHE 0.354 0.027 15 0 "[ . 1 . 2]"
1 35 GLU 0.387 0.034 3 0 "[ . 1 . 2]"
1 36 GLU 0.007 0.005 13 0 "[ . 1 . 2]"
1 37 LEU 0.170 0.027 15 0 "[ . 1 . 2]"
1 38 TYR 0.483 0.034 3 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 0.113 0.011 14 0 "[ . 1 . 2]"
1 41 ALA 0.118 0.011 14 0 "[ . 1 . 2]"
1 42 LEU 0.005 0.002 10 0 "[ . 1 . 2]"
1 43 ASN 0.180 0.037 10 0 "[ . 1 . 2]"
1 44 GLU 0.236 0.037 10 0 "[ . 1 . 2]"
1 45 ASN 0.092 0.032 16 0 "[ . 1 . 2]"
1 46 SER 0.034 0.027 15 0 "[ . 1 . 2]"
1 47 ASN 0.059 0.037 9 0 "[ . 1 . 2]"
1 48 ASP 0.059 0.037 9 0 "[ . 1 . 2]"
1 49 ARG 0.029 0.023 18 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.353 0.070 10 0 "[ . 1 . 2]"
1 59 ASP 0.131 0.038 5 0 "[ . 1 . 2]"
2 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 LYS 0.076 0.041 19 0 "[ . 1 . 2]"
2 7 LEU 0.201 0.048 17 0 "[ . 1 . 2]"
2 8 PHE 0.290 0.048 17 0 "[ . 1 . 2]"
2 9 LEU 0.063 0.011 14 0 "[ . 1 . 2]"
2 10 ASP 0.018 0.010 4 0 "[ . 1 . 2]"
2 11 GLU 0.094 0.019 14 0 "[ . 1 . 2]"
2 12 LEU 0.063 0.007 5 0 "[ . 1 . 2]"
2 13 PRO 0.065 0.016 19 0 "[ . 1 . 2]"
2 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 SER 0.014 0.006 2 0 "[ . 1 . 2]"
2 16 LEU 0.200 0.038 12 0 "[ . 1 . 2]"
2 17 SER 0.007 0.007 12 0 "[ . 1 . 2]"
2 18 ARG 0.014 0.006 2 0 "[ . 1 . 2]"
2 19 LYS 0.309 0.038 12 0 "[ . 1 . 2]"
2 20 ILE 0.138 0.015 2 0 "[ . 1 . 2]"
2 21 GLY 0.015 0.007 20 0 "[ . 1 . 2]"
2 22 THR 0.250 0.019 1 0 "[ . 1 . 2]"
2 23 VAL 0.203 0.026 11 0 "[ . 1 . 2]"
2 24 VAL 0.063 0.015 2 0 "[ . 1 . 2]"
2 25 ARG 0.036 0.011 1 0 "[ . 1 . 2]"
2 26 VAL 0.203 0.026 11 0 "[ . 1 . 2]"
2 27 LEU 1.801 0.113 11 0 "[ . 1 . 2]"
2 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 SER 1.047 0.081 16 0 "[ . 1 . 2]"
2 31 LEU 0.814 0.047 20 0 "[ . 1 . 2]"
2 32 GLU 0.049 0.034 3 0 "[ . 1 . 2]"
2 33 ILE 0.023 0.006 6 0 "[ . 1 . 2]"
2 34 PHE 0.194 0.024 13 0 "[ . 1 . 2]"
2 35 GLU 0.342 0.030 11 0 "[ . 1 . 2]"
2 36 GLU 0.006 0.004 18 0 "[ . 1 . 2]"
2 37 LEU 0.095 0.024 13 0 "[ . 1 . 2]"
2 38 TYR 0.413 0.030 11 0 "[ . 1 . 2]"
2 39 LYS 0.007 0.004 16 0 "[ . 1 . 2]"
2 40 TYR 0.082 0.010 18 0 "[ . 1 . 2]"
2 41 ALA 0.086 0.010 18 0 "[ . 1 . 2]"
2 42 LEU 0.019 0.010 16 0 "[ . 1 . 2]"
2 43 ASN 0.143 0.037 2 0 "[ . 1 . 2]"
2 44 GLU 0.215 0.037 2 0 "[ . 1 . 2]"
2 45 ASN 0.168 0.033 15 0 "[ . 1 . 2]"
2 46 SER 0.084 0.033 15 0 "[ . 1 . 2]"
2 47 ASN 0.017 0.009 20 0 "[ . 1 . 2]"
2 48 ASP 0.017 0.009 20 0 "[ . 1 . 2]"
2 49 ARG 0.018 0.013 4 0 "[ . 1 . 2]"
2 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 ILE 0.341 0.070 13 0 "[ . 1 . 2]"
2 59 ASP 0.082 0.040 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 SER HA 1 6 LYS H 1.800 . 3.000 2.370 2.139 2.899 . 0 0 "[ . 1 . 2]" 1
2 1 5 SER QB 1 6 LYS H 1.800 . 5.000 3.575 2.093 4.063 . 0 0 "[ . 1 . 2]" 1
3 1 6 LYS H 1 6 LYS QB 1.800 . 3.500 2.728 2.136 3.246 . 0 0 "[ . 1 . 2]" 1
4 1 6 LYS H 1 6 LYS QG 1.800 . 5.000 3.081 2.094 4.226 . 0 0 "[ . 1 . 2]" 1
5 1 6 LYS HA 1 6 LYS QE 1.800 . 6.000 4.535 3.819 5.625 . 0 0 "[ . 1 . 2]" 1
6 1 6 LYS HA 1 9 LEU MD1 1.800 . 5.500 4.515 2.642 5.499 . 0 0 "[ . 1 . 2]" 1
7 1 6 LYS QB 1 9 LEU MD1 1.800 . 5.500 3.850 2.604 5.503 0.003 20 0 "[ . 1 . 2]" 1
8 1 6 LYS HA 1 7 LEU H 1.800 . 3.500 2.457 2.138 2.919 . 0 0 "[ . 1 . 2]" 1
9 1 6 LYS QB 1 7 LEU H 1.800 . 5.000 3.346 1.949 4.021 . 0 0 "[ . 1 . 2]" 1
10 1 6 LYS QG 1 7 LEU H 1.800 . 5.500 4.029 2.771 4.803 . 0 0 "[ . 1 . 2]" 1
11 1 7 LEU H 1 7 LEU QB 1.800 . 3.500 2.521 2.051 3.419 . 0 0 "[ . 1 . 2]" 1
12 1 7 LEU H 1 7 LEU HG 1.800 . 4.500 3.837 2.409 4.504 0.004 16 0 "[ . 1 . 2]" 1
13 1 7 LEU H 1 7 LEU QD 1.800 . 6.000 3.263 1.801 3.817 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU HA 1 7 LEU QD 1.800 . 5.000 2.635 1.808 3.450 . 0 0 "[ . 1 . 2]" 1
15 1 7 LEU HA 1 8 PHE H 1.800 . 3.500 2.957 2.226 3.533 0.033 14 0 "[ . 1 . 2]" 1
16 1 7 LEU QB 1 8 PHE H 1.800 . 5.000 3.472 1.999 4.027 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU QD 1 8 PHE H 1.800 . 6.000 3.754 1.985 4.570 . 0 0 "[ . 1 . 2]" 1
18 1 8 PHE H 1 8 PHE QD 1.800 . 4.500 3.550 2.316 4.505 0.005 3 0 "[ . 1 . 2]" 1
19 1 8 PHE H 1 10 ASP H 1.800 . 6.000 3.438 2.433 4.734 . 0 0 "[ . 1 . 2]" 1
20 1 8 PHE HA 1 11 GLU QB 1.800 . 4.000 3.627 2.944 4.005 0.005 2 0 "[ . 1 . 2]" 1
21 1 8 PHE HA 1 8 PHE QD 1.800 . 4.500 3.070 2.040 3.728 . 0 0 "[ . 1 . 2]" 1
22 1 8 PHE HA 1 11 GLU QG 1.800 . 5.000 3.810 2.106 4.888 . 0 0 "[ . 1 . 2]" 1
23 1 8 PHE QB 1 11 GLU QG 1.800 . 6.000 5.265 3.370 6.002 0.002 18 0 "[ . 1 . 2]" 1
24 1 9 LEU HA 1 9 LEU HG 1.800 . 4.000 2.472 2.191 3.707 . 0 0 "[ . 1 . 2]" 1
25 1 9 LEU HA 1 9 LEU QD 1.800 . 5.500 2.835 2.050 3.321 . 0 0 "[ . 1 . 2]" 1
26 1 9 LEU HA 1 9 LEU MD1 1.800 . 5.500 3.355 2.114 3.779 . 0 0 "[ . 1 . 2]" 1
27 1 9 LEU HA 1 9 LEU MD2 1.800 . 4.500 3.294 2.059 4.106 . 0 0 "[ . 1 . 2]" 1
28 1 9 LEU HA 1 12 LEU QB 1.800 . 6.000 3.781 2.422 5.288 . 0 0 "[ . 1 . 2]" 1
29 1 9 LEU HA 1 12 LEU HG 1.800 . 4.500 3.354 2.175 4.385 . 0 0 "[ . 1 . 2]" 1
30 1 9 LEU HA 1 12 LEU QD 1.800 . 6.000 2.221 1.818 3.104 . 0 0 "[ . 1 . 2]" 1
31 1 8 PHE QD 1 9 LEU QD 1.800 . 6.000 2.853 1.963 4.043 . 0 0 "[ . 1 . 2]" 1
32 1 8 PHE QD 1 9 LEU MD1 1.800 . 6.000 2.979 1.966 4.584 . 0 0 "[ . 1 . 2]" 1
33 1 8 PHE QD 1 9 LEU MD2 1.800 . 5.000 4.342 2.973 5.005 0.005 1 0 "[ . 1 . 2]" 1
34 1 8 PHE QE 1 9 LEU QD 1.800 . 6.000 3.428 1.937 4.813 . 0 0 "[ . 1 . 2]" 1
35 1 8 PHE QE 1 9 LEU MD1 1.800 . 5.500 3.631 1.943 5.159 . 0 0 "[ . 1 . 2]" 1
36 1 8 PHE QE 1 9 LEU MD2 1.800 . 6.000 4.714 3.407 5.981 . 0 0 "[ . 1 . 2]" 1
37 1 9 LEU HA 1 20 ILE MD 1.800 . 6.000 4.214 3.574 4.870 . 0 0 "[ . 1 . 2]" 1
38 1 9 LEU QD 1 20 ILE MD 1.800 . 5.500 3.487 2.383 4.194 . 0 0 "[ . 1 . 2]" 1
39 1 9 LEU MD1 1 20 ILE MD 1.800 . 5.000 4.707 3.182 5.005 0.005 12 0 "[ . 1 . 2]" 1
40 1 9 LEU MD2 1 20 ILE MD 1.800 . 4.500 3.716 2.397 4.505 0.005 2 0 "[ . 1 . 2]" 1
41 1 9 LEU QD 1 20 ILE MG 1.800 . 6.000 2.843 1.957 4.135 . 0 0 "[ . 1 . 2]" 1
42 1 9 LEU MD1 1 20 ILE MG 1.800 . 5.500 3.608 2.095 4.602 . 0 0 "[ . 1 . 2]" 1
43 1 9 LEU MD2 1 20 ILE MG 1.800 . 5.000 3.159 1.960 4.683 . 0 0 "[ . 1 . 2]" 1
44 1 9 LEU QD 1 20 ILE HB 1.800 . 6.000 2.967 2.017 4.153 . 0 0 "[ . 1 . 2]" 1
45 1 9 LEU MD1 1 20 ILE HB 1.800 . 6.000 4.541 2.964 5.366 . 0 0 "[ . 1 . 2]" 1
46 1 9 LEU MD2 1 20 ILE HB 1.800 . 5.000 3.096 2.036 4.361 . 0 0 "[ . 1 . 2]" 1
47 1 9 LEU QD 1 17 SER HA 1.800 . 6.000 2.977 2.031 3.681 . 0 0 "[ . 1 . 2]" 1
48 1 9 LEU MD2 1 17 SER HA 1.800 . 5.000 3.046 2.033 4.140 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU QD 1 17 SER QB 1.800 . 6.000 3.022 1.902 4.042 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU QD 1 24 VAL MG2 1.800 . 6.000 3.035 2.359 4.015 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU MD1 1 31 LEU MD1 1.800 . 5.500 4.030 2.634 5.367 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU MD1 1 31 LEU MD2 1.800 . 5.000 3.963 2.908 4.980 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU MD2 1 31 LEU MD2 1.800 . 5.500 4.934 2.899 5.508 0.008 2 0 "[ . 1 . 2]" 1
54 1 9 LEU HA 1 10 ASP H 1.800 . 4.500 3.424 2.949 3.548 . 0 0 "[ . 1 . 2]" 1
55 1 9 LEU QB 1 10 ASP H 1.800 . 5.000 2.999 2.628 3.752 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU QD 1 10 ASP H 1.800 . 6.000 3.863 1.930 4.597 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU HA 1 10 ASP H 1.800 . 4.500 3.821 3.095 4.502 0.002 6 0 "[ . 1 . 2]" 1
58 1 7 LEU MD2 1 10 ASP H 1.800 . 6.000 5.316 4.284 6.002 0.002 16 0 "[ . 1 . 2]" 1
59 1 10 ASP H 1 11 GLU H 1.800 . 5.000 2.619 1.919 2.871 . 0 0 "[ . 1 . 2]" 1
60 1 11 GLU H 1 11 GLU QB 1.800 . 3.500 2.429 2.176 3.124 . 0 0 "[ . 1 . 2]" 1
61 1 11 GLU H 1 11 GLU QG 1.800 . 4.500 2.862 2.285 4.275 . 0 0 "[ . 1 . 2]" 1
62 1 11 GLU H 1 12 LEU H 1.800 . 3.000 2.659 2.008 3.003 0.003 5 0 "[ . 1 . 2]" 1
63 1 8 PHE HA 1 11 GLU H 1.800 . 4.500 4.009 3.535 4.448 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU HA 1 11 GLU H 1.800 . 5.000 3.946 3.516 4.622 . 0 0 "[ . 1 . 2]" 1
65 1 10 ASP HA 1 11 GLU H 1.800 . 5.000 3.382 2.917 3.563 . 0 0 "[ . 1 . 2]" 1
66 1 10 ASP QB 1 11 GLU H 1.800 . 5.000 2.995 2.367 3.801 . 0 0 "[ . 1 . 2]" 1
67 1 11 GLU H 1 12 LEU HG 1.800 . 5.000 3.908 2.542 4.940 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLU H 1 12 LEU QB 1.800 . 6.000 4.569 4.007 5.284 . 0 0 "[ . 1 . 2]" 1
69 1 11 GLU H 1 12 LEU QD 1.800 . 6.000 3.976 2.268 4.902 . 0 0 "[ . 1 . 2]" 1
70 1 12 LEU H 1 12 LEU QB 1.800 . 3.500 2.689 2.195 3.441 . 0 0 "[ . 1 . 2]" 1
71 1 12 LEU H 1 12 LEU HG 1.800 . 3.500 2.602 1.926 3.503 0.003 5 0 "[ . 1 . 2]" 1
72 1 12 LEU H 1 12 LEU QD 1.800 . 5.500 3.058 2.379 3.756 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU HA 1 12 LEU H 1.800 . 5.000 3.981 2.948 5.005 0.005 7 0 "[ . 1 . 2]" 1
74 1 10 ASP QB 1 12 LEU H 1.800 . 5.500 4.872 4.409 5.498 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU HA 1 12 LEU H 1.800 . 4.500 3.270 2.828 3.570 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLU QB 1 12 LEU H 1.800 . 5.000 3.069 1.940 4.042 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU HA 1 12 LEU HG 1.800 . 4.500 3.245 2.630 3.710 . 0 0 "[ . 1 . 2]" 1
78 1 12 LEU HA 1 13 PRO QD 1.800 . 4.000 2.087 1.958 2.215 . 0 0 "[ . 1 . 2]" 1
79 1 12 LEU QD 1 13 PRO QD 1.800 . 5.500 2.632 1.864 3.272 . 0 0 "[ . 1 . 2]" 1
80 1 12 LEU MD1 1 13 PRO QD 1.800 . 5.500 3.449 2.768 4.109 . 0 0 "[ . 1 . 2]" 1
81 1 12 LEU MD2 1 13 PRO QD 1.800 . 4.500 3.196 1.872 4.288 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU QB 1 13 PRO QD 1.800 . 4.500 1.995 1.900 2.337 . 0 0 "[ . 1 . 2]" 1
83 1 12 LEU MD2 1 16 LEU MD1 1.800 . 5.500 3.784 2.322 5.138 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU MD1 1 17 SER HA 1.800 . 5.500 3.065 1.949 4.494 . 0 0 "[ . 1 . 2]" 1
85 1 13 PRO QD 1 16 LEU QD 1.800 . 6.000 2.804 1.944 3.851 . 0 0 "[ . 1 . 2]" 1
86 1 13 PRO QD 1 16 LEU MD1 1.800 . 5.000 2.880 1.946 3.918 . 0 0 "[ . 1 . 2]" 1
87 1 13 PRO QD 1 16 LEU MD2 1.800 . 6.000 4.760 2.903 5.938 . 0 0 "[ . 1 . 2]" 1
88 1 13 PRO QG 1 16 LEU MD1 1.800 . 6.000 2.580 1.869 4.107 . 0 0 "[ . 1 . 2]" 1
89 1 13 PRO HA 1 16 LEU QB 1.800 . 5.500 5.078 4.663 5.497 . 0 0 "[ . 1 . 2]" 1
90 1 13 PRO HA 1 14 GLU H 1.800 . 3.000 2.396 2.149 2.748 . 0 0 "[ . 1 . 2]" 1
91 1 13 PRO QB 1 14 GLU H 1.800 . 5.000 2.682 1.975 3.448 . 0 0 "[ . 1 . 2]" 1
92 1 14 GLU H 1 14 GLU QB 1.800 . 3.500 2.378 2.059 2.838 . 0 0 "[ . 1 . 2]" 1
93 1 14 GLU H 1 14 GLU QG 1.800 . 5.000 3.268 1.961 4.074 . 0 0 "[ . 1 . 2]" 1
94 1 14 GLU QG 1 18 ARG QD 1.800 . 6.000 4.417 1.966 5.827 . 0 0 "[ . 1 . 2]" 1
95 1 14 GLU HA 1 17 SER QB 1.800 . 4.500 2.575 1.968 3.393 . 0 0 "[ . 1 . 2]" 1
96 1 14 GLU HA 1 15 SER H 1.800 . 4.000 3.500 3.474 3.545 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLU QB 1 15 SER H 1.800 . 4.500 2.951 2.576 3.543 . 0 0 "[ . 1 . 2]" 1
98 1 15 SER H 1 16 LEU H 1.800 . 4.000 2.693 2.435 2.842 . 0 0 "[ . 1 . 2]" 1
99 1 15 SER HA 1 18 ARG QB 1.800 . 4.000 3.356 2.815 4.009 0.009 16 0 "[ . 1 . 2]" 1
100 1 15 SER HA 1 18 ARG QG 1.800 . 5.500 4.666 3.128 5.430 . 0 0 "[ . 1 . 2]" 1
101 1 15 SER HA 1 18 ARG QD 1.800 . 5.500 3.489 2.133 4.689 . 0 0 "[ . 1 . 2]" 1
102 1 13 PRO HA 1 16 LEU H 1.800 . 5.500 4.914 4.587 5.298 . 0 0 "[ . 1 . 2]" 1
103 1 13 PRO QB 1 16 LEU H 1.800 . 5.000 2.525 2.260 2.916 . 0 0 "[ . 1 . 2]" 1
104 1 13 PRO QG 1 16 LEU H 1.800 . 6.000 3.761 2.401 4.626 . 0 0 "[ . 1 . 2]" 1
105 1 13 PRO QD 1 16 LEU H 1.800 . 6.000 4.422 3.792 4.968 . 0 0 "[ . 1 . 2]" 1
106 1 15 SER HA 1 16 LEU H 1.800 . 4.000 3.539 3.493 3.561 . 0 0 "[ . 1 . 2]" 1
107 1 15 SER QB 1 16 LEU H 1.800 . 4.500 2.668 2.401 3.300 . 0 0 "[ . 1 . 2]" 1
108 1 16 LEU H 1 16 LEU HA 1.800 . 3.000 2.866 2.813 2.882 . 0 0 "[ . 1 . 2]" 1
109 1 16 LEU H 1 16 LEU QB 1.800 . 3.000 2.183 2.057 2.460 . 0 0 "[ . 1 . 2]" 1
110 1 16 LEU H 1 16 LEU HG 1.800 . 4.000 3.261 2.306 4.001 0.001 9 0 "[ . 1 . 2]" 1
111 1 16 LEU H 1 16 LEU QD 1.800 . 6.000 3.328 1.899 3.713 . 0 0 "[ . 1 . 2]" 1
112 1 16 LEU H 1 17 SER H 1.800 . 3.000 2.492 2.379 2.742 . 0 0 "[ . 1 . 2]" 1
113 1 16 LEU HA 1 19 LYS QB 1.800 . 4.000 3.303 2.768 4.005 0.005 7 0 "[ . 1 . 2]" 1
114 1 16 LEU HA 1 19 LYS QG 1.800 . 5.000 3.829 1.962 5.000 . 0 0 "[ . 1 . 2]" 1
115 1 16 LEU HA 1 19 LYS QE 1.800 . 5.500 4.045 1.995 5.505 0.005 13 0 "[ . 1 . 2]" 1
116 1 16 LEU QD 1 20 ILE MD 1.800 . 5.500 2.653 1.810 3.675 . 0 0 "[ . 1 . 2]" 1
117 1 16 LEU MD1 1 20 ILE MD 1.800 . 4.500 3.449 2.606 4.120 . 0 0 "[ . 1 . 2]" 1
118 1 16 LEU MD2 1 20 ILE MD 1.800 . 5.500 2.919 1.818 4.317 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLU HA 1 17 SER H 1.800 . 4.000 3.407 3.141 3.820 . 0 0 "[ . 1 . 2]" 1
120 1 16 LEU HA 1 17 SER H 1.800 . 4.500 3.524 3.480 3.561 . 0 0 "[ . 1 . 2]" 1
121 1 16 LEU QB 1 17 SER H 1.800 . 4.000 2.679 2.433 2.875 . 0 0 "[ . 1 . 2]" 1
122 1 16 LEU QD 1 17 SER H 1.800 . 6.000 4.047 3.692 4.246 . 0 0 "[ . 1 . 2]" 1
123 1 17 SER H 1 18 ARG H 1.800 . 3.000 2.745 2.685 2.810 . 0 0 "[ . 1 . 2]" 1
124 1 17 SER HA 1 20 ILE HB 1.800 . 4.000 2.636 2.263 3.026 . 0 0 "[ . 1 . 2]" 1
125 1 17 SER HA 1 20 ILE MD 1.800 . 5.500 2.486 1.906 3.601 . 0 0 "[ . 1 . 2]" 1
126 1 17 SER QB 1 20 ILE MD 1.800 . 5.500 3.936 3.330 4.738 . 0 0 "[ . 1 . 2]" 1
127 1 17 SER HA 1 20 ILE MG 1.800 . 6.000 4.026 3.738 4.402 . 0 0 "[ . 1 . 2]" 1
128 1 12 LEU MD2 1 17 SER H 1.800 . 5.500 4.987 4.282 5.503 0.003 5 0 "[ . 1 . 2]" 1
129 1 16 LEU H 1 18 ARG H 1.800 . 5.000 4.029 3.814 4.354 . 0 0 "[ . 1 . 2]" 1
130 1 18 ARG H 1 19 LYS H 1.800 . 3.000 2.609 2.489 2.734 . 0 0 "[ . 1 . 2]" 1
131 1 18 ARG H 1 18 ARG HA 1.800 . 3.000 2.838 2.782 2.878 . 0 0 "[ . 1 . 2]" 1
132 1 18 ARG H 1 18 ARG QB 1.800 . 3.000 2.118 2.052 2.346 . 0 0 "[ . 1 . 2]" 1
133 1 18 ARG H 1 18 ARG QG 1.800 . 4.500 3.490 2.426 4.026 . 0 0 "[ . 1 . 2]" 1
134 1 18 ARG H 1 18 ARG QD 1.800 . 6.000 3.531 2.442 4.647 . 0 0 "[ . 1 . 2]" 1
135 1 16 LEU HA 1 19 LYS H 1.800 . 3.500 3.344 3.153 3.501 0.001 11 0 "[ . 1 . 2]" 1
136 1 19 LYS H 1 20 ILE H 1.800 . 3.500 2.478 2.402 2.616 . 0 0 "[ . 1 . 2]" 1
137 1 19 LYS H 1 21 GLY H 1.800 . 4.500 4.179 3.804 4.462 . 0 0 "[ . 1 . 2]" 1
138 1 19 LYS H 1 19 LYS HA 1.800 . 3.000 2.864 2.825 2.881 . 0 0 "[ . 1 . 2]" 1
139 1 19 LYS H 1 19 LYS QB 1.800 . 3.000 2.349 2.088 2.640 . 0 0 "[ . 1 . 2]" 1
140 1 19 LYS H 1 19 LYS QG 1.800 . 4.000 2.771 1.960 3.899 . 0 0 "[ . 1 . 2]" 1
141 1 19 LYS H 1 19 LYS QD 1.800 . 4.500 3.474 2.324 4.501 0.001 16 0 "[ . 1 . 2]" 1
142 1 19 LYS H 1 19 LYS QE 1.800 . 5.500 4.174 2.884 5.038 . 0 0 "[ . 1 . 2]" 1
143 1 16 LEU QD 1 19 LYS H 1.800 . 6.000 4.367 3.773 4.847 . 0 0 "[ . 1 . 2]" 1
144 1 19 LYS HA 1 22 THR HB 1.800 . 4.000 4.012 4.004 4.018 0.018 11 0 "[ . 1 . 2]" 1
145 1 16 LEU HA 1 19 LYS QD 1.800 . 4.500 3.262 1.962 4.413 . 0 0 "[ . 1 . 2]" 1
146 1 20 ILE H 1 21 GLY H 1.800 . 3.000 2.583 2.409 2.806 . 0 0 "[ . 1 . 2]" 1
147 1 20 ILE H 1 20 ILE HB 1.800 . 3.000 2.583 2.528 2.613 . 0 0 "[ . 1 . 2]" 1
148 1 20 ILE H 1 20 ILE MD 1.800 . 5.500 3.390 3.191 3.659 . 0 0 "[ . 1 . 2]" 1
149 1 20 ILE H 1 20 ILE QG 1.800 . 4.500 2.064 1.959 2.197 . 0 0 "[ . 1 . 2]" 1
150 1 20 ILE H 1 20 ILE MG 1.800 . 5.500 3.779 3.766 3.788 . 0 0 "[ . 1 . 2]" 1
151 1 17 SER HA 1 20 ILE H 1.800 . 4.000 3.428 3.191 3.703 . 0 0 "[ . 1 . 2]" 1
152 1 18 ARG H 1 20 ILE H 1.800 . 5.000 3.908 3.741 4.223 . 0 0 "[ . 1 . 2]" 1
153 1 19 LYS HA 1 20 ILE H 1.800 . 4.500 3.502 3.415 3.543 . 0 0 "[ . 1 . 2]" 1
154 1 19 LYS QB 1 20 ILE H 1.800 . 4.500 2.918 2.532 3.719 . 0 0 "[ . 1 . 2]" 1
155 1 20 ILE H 1 22 THR H 1.800 . 5.000 3.954 3.728 4.507 . 0 0 "[ . 1 . 2]" 1
156 1 16 LEU QD 1 20 ILE H 1.800 . 5.500 4.285 3.214 5.135 . 0 0 "[ . 1 . 2]" 1
157 1 20 ILE HA 1 23 VAL HB 1.800 . 5.000 3.653 2.844 4.209 . 0 0 "[ . 1 . 2]" 1
158 1 20 ILE MG 1 24 VAL QG 1.800 . 5.000 1.979 1.789 2.649 0.011 18 0 "[ . 1 . 2]" 1
159 1 20 ILE MG 1 31 LEU QD 1.800 . 5.500 3.128 2.520 4.465 . 0 0 "[ . 1 . 2]" 1
160 1 20 ILE MD 1 31 LEU QD 1.800 . 6.000 4.827 4.138 6.011 0.011 3 0 "[ . 1 . 2]" 1
161 1 9 LEU MD2 1 20 ILE H 1.800 . 6.000 4.732 3.921 5.628 . 0 0 "[ . 1 . 2]" 1
162 1 8 PHE QD 1 20 ILE MG 1.800 . 6.000 4.111 3.035 5.589 . 0 0 "[ . 1 . 2]" 1
163 1 8 PHE QD 1 20 ILE MD 1.800 . 5.500 4.829 3.561 5.505 0.005 9 0 "[ . 1 . 2]" 1
164 1 18 ARG HA 1 21 GLY H 1.800 . 4.500 3.821 3.422 4.215 . 0 0 "[ . 1 . 2]" 1
165 1 19 LYS HA 1 21 GLY H 1.800 . 5.000 4.629 4.123 4.833 . 0 0 "[ . 1 . 2]" 1
166 1 20 ILE HA 1 21 GLY H 1.800 . 4.500 3.548 3.485 3.567 . 0 0 "[ . 1 . 2]" 1
167 1 20 ILE HB 1 21 GLY H 1.800 . 4.000 2.513 2.389 2.916 . 0 0 "[ . 1 . 2]" 1
168 1 20 ILE MD 1 21 GLY H 1.800 . 6.000 4.311 4.051 4.718 . 0 0 "[ . 1 . 2]" 1
169 1 20 ILE MG 1 21 GLY H 1.800 . 5.500 3.492 3.343 3.834 . 0 0 "[ . 1 . 2]" 1
170 1 21 GLY H 1 22 THR H 1.800 . 3.000 2.718 2.579 2.872 . 0 0 "[ . 1 . 2]" 1
171 1 21 GLY H 1 22 THR MG 1.800 . 5.000 4.343 3.769 5.010 0.010 12 0 "[ . 1 . 2]" 1
172 1 21 GLY H 1 24 VAL MG2 1.800 . 7.000 3.915 3.554 4.429 . 0 0 "[ . 1 . 2]" 1
173 1 21 GLY QA 1 24 VAL HB 1.800 . 4.000 2.797 2.313 3.401 . 0 0 "[ . 1 . 2]" 1
174 1 21 GLY QA 1 24 VAL MG1 1.800 . 5.000 3.934 3.568 4.245 . 0 0 "[ . 1 . 2]" 1
175 1 20 ILE MG 1 21 GLY QA 1.800 . 5.500 3.473 3.328 3.710 . 0 0 "[ . 1 . 2]" 1
176 1 9 LEU MD2 1 21 GLY H 1.800 . 5.500 3.302 2.296 4.135 . 0 0 "[ . 1 . 2]" 1
177 1 19 LYS HA 1 22 THR H 1.800 . 4.500 3.696 3.475 3.853 . 0 0 "[ . 1 . 2]" 1
178 1 20 ILE HA 1 22 THR H 1.800 . 5.000 4.055 3.856 4.497 . 0 0 "[ . 1 . 2]" 1
179 1 22 THR H 1 23 VAL H 1.800 . 3.000 2.488 2.408 2.683 . 0 0 "[ . 1 . 2]" 1
180 1 21 GLY QA 1 22 THR H 1.800 . 4.000 2.816 2.664 2.873 . 0 0 "[ . 1 . 2]" 1
181 1 22 THR H 1 22 THR HA 1.800 . 3.000 2.865 2.800 2.880 . 0 0 "[ . 1 . 2]" 1
182 1 22 THR H 1 22 THR HB 1.800 . 3.500 2.911 2.412 3.427 . 0 0 "[ . 1 . 2]" 1
183 1 22 THR H 1 22 THR MG 1.800 . 4.300 2.486 2.012 3.176 . 0 0 "[ . 1 . 2]" 1
184 1 22 THR HA 1 25 ARG QB 1.800 . 4.000 3.362 2.779 3.908 . 0 0 "[ . 1 . 2]" 1
185 1 22 THR HA 1 25 ARG QD 1.800 . 5.000 3.088 2.278 3.645 . 0 0 "[ . 1 . 2]" 1
186 1 22 THR HB 1 25 ARG QB 1.800 . 5.500 5.317 4.941 5.514 0.014 6 0 "[ . 1 . 2]" 1
187 1 22 THR HB 1 25 ARG QD 1.800 . 5.500 5.111 4.386 5.507 0.007 19 0 "[ . 1 . 2]" 1
188 1 22 THR MG 1 25 ARG QD 1.800 . 6.000 4.896 3.404 5.886 . 0 0 "[ . 1 . 2]" 1
189 1 19 LYS QB 1 22 THR MG 1.800 . 6.000 4.085 3.228 5.296 . 0 0 "[ . 1 . 2]" 1
190 1 23 VAL H 1 24 VAL H 1.800 . 3.000 2.448 2.402 2.575 . 0 0 "[ . 1 . 2]" 1
191 1 20 ILE HA 1 23 VAL H 1.800 . 4.500 3.422 3.275 3.536 . 0 0 "[ . 1 . 2]" 1
192 1 20 ILE MG 1 23 VAL H 1.800 . 6.000 4.453 4.157 4.667 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLY H 1 23 VAL H 1.800 . 5.000 4.309 4.065 4.575 . 0 0 "[ . 1 . 2]" 1
194 1 22 THR HA 1 23 VAL H 1.800 . 4.000 3.521 3.486 3.555 . 0 0 "[ . 1 . 2]" 1
195 1 22 THR HB 1 23 VAL H 1.800 . 4.500 3.713 2.970 4.011 . 0 0 "[ . 1 . 2]" 1
196 1 22 THR MG 1 23 VAL H 1.800 . 5.500 2.763 1.944 4.290 . 0 0 "[ . 1 . 2]" 1
197 1 23 VAL H 1 23 VAL HA 1.800 . 3.000 2.879 2.852 2.884 . 0 0 "[ . 1 . 2]" 1
198 1 23 VAL H 1 23 VAL HB 1.800 . 3.000 2.641 2.547 2.685 . 0 0 "[ . 1 . 2]" 1
199 1 23 VAL H 1 23 VAL QG 1.800 . 4.000 2.122 1.948 2.320 . 0 0 "[ . 1 . 2]" 1
200 1 23 VAL H 1 25 ARG H 1.800 . 4.800 4.053 3.798 4.296 . 0 0 "[ . 1 . 2]" 1
201 1 23 VAL HA 1 26 VAL HB 1.800 . 4.000 3.995 3.783 4.023 0.023 19 0 "[ . 1 . 2]" 1
202 1 20 ILE HA 1 23 VAL QG 1.800 . 5.500 2.384 1.879 3.261 . 0 0 "[ . 1 . 2]" 1
203 1 20 ILE MG 1 23 VAL QG 1.800 . 6.000 3.310 2.532 4.211 . 0 0 "[ . 1 . 2]" 1
204 1 20 ILE MG 1 24 VAL H 1.800 . 6.000 3.690 3.386 4.189 . 0 0 "[ . 1 . 2]" 1
205 1 22 THR HA 1 24 VAL H 1.800 . 5.000 4.535 4.269 4.857 . 0 0 "[ . 1 . 2]" 1
206 1 23 VAL HA 1 24 VAL H 1.800 . 4.300 3.519 3.485 3.558 . 0 0 "[ . 1 . 2]" 1
207 1 23 VAL HB 1 24 VAL H 1.800 . 4.000 3.338 2.384 4.031 0.031 9 0 "[ . 1 . 2]" 1
208 1 23 VAL MG2 1 24 VAL H 1.800 . 5.000 3.703 3.515 3.842 . 0 0 "[ . 1 . 2]" 1
209 1 24 VAL H 1 25 ARG H 1.800 . 3.000 2.721 2.623 2.839 . 0 0 "[ . 1 . 2]" 1
210 1 21 GLY QA 1 24 VAL H 1.800 . 4.500 3.489 3.241 3.778 . 0 0 "[ . 1 . 2]" 1
211 1 24 VAL H 1 24 VAL HB 1.800 . 3.000 2.606 2.508 2.752 . 0 0 "[ . 1 . 2]" 1
212 1 24 VAL H 1 24 VAL QG 1.800 . 4.000 2.079 1.952 2.176 . 0 0 "[ . 1 . 2]" 1
213 1 24 VAL H 1 24 VAL MG1 1.800 . 4.500 3.766 3.748 3.772 . 0 0 "[ . 1 . 2]" 1
214 1 24 VAL H 1 24 VAL MG2 1.800 . 4.500 2.089 1.958 2.190 . 0 0 "[ . 1 . 2]" 1
215 1 24 VAL HA 1 27 LEU QB 1.800 . 4.000 3.863 3.581 4.017 0.017 9 0 "[ . 1 . 2]" 1
216 1 24 VAL QG 1 28 PRO HA 1.800 . 5.000 2.117 1.846 2.417 . 0 0 "[ . 1 . 2]" 1
217 1 24 VAL QG 1 28 PRO QB 1.800 . 5.000 2.966 2.512 3.514 . 0 0 "[ . 1 . 2]" 1
218 1 24 VAL QG 1 28 PRO QG 1.800 . 6.000 4.172 2.958 4.801 . 0 0 "[ . 1 . 2]" 1
219 1 20 ILE MG 1 24 VAL HA 1.800 . 6.000 4.572 4.362 5.028 . 0 0 "[ . 1 . 2]" 1
220 1 24 VAL HA 1 28 PRO HA 1.800 . 4.500 4.006 3.528 4.507 0.007 2 0 "[ . 1 . 2]" 1
221 1 24 VAL HA 1 25 ARG H 1.800 . 4.000 3.505 3.480 3.532 . 0 0 "[ . 1 . 2]" 1
222 1 24 VAL HB 1 25 ARG H 1.800 . 3.500 2.816 2.662 2.958 . 0 0 "[ . 1 . 2]" 1
223 1 24 VAL QG 1 25 ARG H 1.800 . 5.000 3.345 3.274 3.399 . 0 0 "[ . 1 . 2]" 1
224 1 24 VAL MG1 1 25 ARG H 1.800 . 5.500 3.658 3.504 3.812 . 0 0 "[ . 1 . 2]" 1
225 1 24 VAL MG2 1 25 ARG H 1.800 . 5.500 3.879 3.730 3.970 . 0 0 "[ . 1 . 2]" 1
226 1 25 ARG H 1 25 ARG HA 1.800 . 3.000 2.771 2.743 2.791 . 0 0 "[ . 1 . 2]" 1
227 1 25 ARG H 1 25 ARG QB 1.800 . 3.000 2.109 2.031 2.296 . 0 0 "[ . 1 . 2]" 1
228 1 25 ARG H 1 26 VAL H 1.800 . 3.000 2.729 2.670 2.807 . 0 0 "[ . 1 . 2]" 1
229 1 22 THR HA 1 25 ARG H 1.800 . 4.500 3.925 3.805 4.104 . 0 0 "[ . 1 . 2]" 1
230 1 25 ARG H 1 27 LEU H 1.800 . 5.000 4.331 4.149 4.480 . 0 0 "[ . 1 . 2]" 1
231 1 23 VAL HA 1 26 VAL H 1.800 . 4.500 3.637 3.517 3.775 . 0 0 "[ . 1 . 2]" 1
232 1 24 VAL HA 1 26 VAL H 1.800 . 5.000 3.808 3.731 3.924 . 0 0 "[ . 1 . 2]" 1
233 1 25 ARG HA 1 26 VAL H 1.800 . 4.000 3.483 3.464 3.505 . 0 0 "[ . 1 . 2]" 1
234 1 25 ARG QB 1 26 VAL H 1.800 . 4.300 2.881 2.728 2.981 . 0 0 "[ . 1 . 2]" 1
235 1 26 VAL H 1 26 VAL HA 1.800 . 3.000 2.878 2.858 2.881 . 0 0 "[ . 1 . 2]" 1
236 1 26 VAL H 1 26 VAL HB 1.800 . 3.000 2.569 2.496 2.617 . 0 0 "[ . 1 . 2]" 1
237 1 26 VAL H 1 26 VAL MG2 1.800 . 4.000 2.173 2.043 2.340 . 0 0 "[ . 1 . 2]" 1
238 1 26 VAL H 1 27 LEU H 1.800 . 3.000 2.477 2.398 2.572 . 0 0 "[ . 1 . 2]" 1
239 1 26 VAL H 1 27 LEU QD 1.800 . 6.000 4.712 4.086 5.575 . 0 0 "[ . 1 . 2]" 1
240 1 23 VAL HA 1 26 VAL QG 1.800 . 5.500 2.817 2.522 3.100 . 0 0 "[ . 1 . 2]" 1
241 1 25 ARG QD 1 26 VAL QG 1.800 . 6.000 4.829 4.051 5.287 . 0 0 "[ . 1 . 2]" 1
242 1 24 VAL HA 1 27 LEU H 1.800 . 4.000 3.092 2.964 3.226 . 0 0 "[ . 1 . 2]" 1
243 1 26 VAL HA 1 27 LEU H 1.800 . 4.000 3.541 3.496 3.564 . 0 0 "[ . 1 . 2]" 1
244 1 26 VAL HB 1 27 LEU H 1.800 . 3.000 2.567 2.379 2.850 . 0 0 "[ . 1 . 2]" 1
245 1 27 LEU H 1 27 LEU QB 1.800 . 4.000 2.445 2.264 2.654 . 0 0 "[ . 1 . 2]" 1
246 1 27 LEU H 1 27 LEU HG 1.800 . 4.500 4.443 4.140 4.579 0.079 3 0 "[ . 1 . 2]" 1
247 1 27 LEU HA 1 30 SER QB 1.800 . 4.500 3.794 3.552 4.380 . 0 0 "[ . 1 . 2]" 1
248 1 27 LEU HA 1 28 PRO QD 1.800 . 4.000 2.144 2.052 2.338 . 0 0 "[ . 1 . 2]" 1
249 1 27 LEU QB 1 28 PRO QD 1.800 . 5.500 3.833 3.798 3.854 . 0 0 "[ . 1 . 2]" 1
250 1 27 LEU H 1 28 PRO QD 1.800 . 5.500 3.022 2.680 3.309 . 0 0 "[ . 1 . 2]" 1
251 1 27 LEU HA 1 28 PRO QG 1.800 . 4.500 4.016 3.907 4.238 . 0 0 "[ . 1 . 2]" 1
252 1 27 LEU QB 1 30 SER QB 1.800 . 5.500 1.847 1.796 1.953 0.004 1 0 "[ . 1 . 2]" 1
253 1 27 LEU QD 1 34 PHE HZ 1.800 . 6.000 4.918 3.727 6.009 0.009 2 0 "[ . 1 . 2]" 1
254 1 29 SER H 1 30 SER H 1.800 . 5.000 2.236 2.011 2.422 . 0 0 "[ . 1 . 2]" 1
255 1 27 LEU HA 1 30 SER H 1.800 . 3.500 3.535 3.513 3.559 0.059 12 0 "[ . 1 . 2]" 1
256 1 27 LEU QB 1 30 SER H 1.800 . 4.500 2.770 2.460 3.237 . 0 0 "[ . 1 . 2]" 1
257 1 27 LEU MD2 1 30 SER H 1.800 . 5.000 3.662 1.789 4.801 0.011 9 0 "[ . 1 . 2]" 1
258 1 27 LEU HG 1 30 SER H 1.800 . 4.500 4.089 2.844 4.589 0.089 9 0 "[ . 1 . 2]" 1
259 1 30 SER H 1 30 SER HA 1.800 . 3.000 2.819 2.786 2.852 . 0 0 "[ . 1 . 2]" 1
260 1 30 SER H 1 30 SER QB 1.800 . 3.500 2.227 2.138 2.627 . 0 0 "[ . 1 . 2]" 1
261 1 30 SER H 1 31 LEU H 1.800 . 3.000 2.660 2.532 2.766 . 0 0 "[ . 1 . 2]" 1
262 1 30 SER HA 1 33 ILE HB 1.800 . 4.000 3.835 2.949 4.009 0.009 3 0 "[ . 1 . 2]" 1
263 1 30 SER HA 1 34 PHE QE 1.800 . 5.000 4.799 4.009 5.008 0.008 5 0 "[ . 1 . 2]" 1
264 1 30 SER HA 1 33 ILE MD 1.800 . 4.500 2.269 1.835 4.176 . 0 0 "[ . 1 . 2]" 1
265 1 30 SER QB 1 33 ILE MD 1.800 . 6.000 3.745 3.002 5.515 . 0 0 "[ . 1 . 2]" 1
266 1 27 LEU HA 1 31 LEU H 1.800 . 5.000 5.009 4.917 5.052 0.052 20 0 "[ . 1 . 2]" 1
267 1 28 PRO HA 1 31 LEU H 1.800 . 5.000 4.032 3.644 4.393 . 0 0 "[ . 1 . 2]" 1
268 1 29 SER HA 1 31 LEU H 1.800 . 5.000 4.332 4.068 4.672 . 0 0 "[ . 1 . 2]" 1
269 1 30 SER HA 1 31 LEU H 1.800 . 4.500 3.525 3.482 3.564 . 0 0 "[ . 1 . 2]" 1
270 1 30 SER QB 1 31 LEU H 1.800 . 4.500 2.659 2.382 3.420 . 0 0 "[ . 1 . 2]" 1
271 1 30 SER HG 1 31 LEU H 1.800 . 4.500 4.485 3.975 4.537 0.037 12 0 "[ . 1 . 2]" 1
272 1 31 LEU H 1 32 GLU H 1.800 . 3.500 2.773 2.649 3.024 . 0 0 "[ . 1 . 2]" 1
273 1 31 LEU H 1 31 LEU HA 1.800 . 3.000 2.766 2.710 2.802 . 0 0 "[ . 1 . 2]" 1
274 1 31 LEU H 1 31 LEU QB 1.800 . 3.000 2.118 2.052 2.351 . 0 0 "[ . 1 . 2]" 1
275 1 31 LEU H 1 31 LEU HG 1.800 . 4.000 3.811 2.490 4.036 0.036 20 0 "[ . 1 . 2]" 1
276 1 24 VAL HB 1 31 LEU QD 1.800 . 5.500 3.701 3.381 4.483 . 0 0 "[ . 1 . 2]" 1
277 1 8 PHE QD 1 31 LEU QD 1.800 . 6.000 2.958 2.005 3.704 . 0 0 "[ . 1 . 2]" 1
278 1 8 PHE QD 1 31 LEU MD1 1.800 . 5.500 3.632 2.050 5.499 . 0 0 "[ . 1 . 2]" 1
279 1 8 PHE QD 1 31 LEU MD2 1.800 . 4.500 3.534 2.484 4.520 0.020 14 0 "[ . 1 . 2]" 1
280 1 8 PHE QD 1 31 LEU HG 1.800 . 7.000 5.394 4.022 6.549 . 0 0 "[ . 1 . 2]" 1
281 1 31 LEU MD2 1 34 PHE QB 1.800 . 5.500 4.073 2.117 5.519 0.019 3 0 "[ . 1 . 2]" 1
282 1 31 LEU HA 1 32 GLU H 1.800 . 4.000 3.503 3.426 3.560 . 0 0 "[ . 1 . 2]" 1
283 1 31 LEU QB 1 32 GLU H 1.800 . 4.000 2.969 2.391 3.657 . 0 0 "[ . 1 . 2]" 1
284 1 32 GLU H 1 32 GLU HA 1.800 . 3.000 2.788 2.762 2.840 . 0 0 "[ . 1 . 2]" 1
285 1 32 GLU H 1 32 GLU QB 1.800 . 3.500 2.223 2.042 2.658 . 0 0 "[ . 1 . 2]" 1
286 1 32 GLU H 1 32 GLU QG 1.800 . 4.000 3.110 1.946 4.003 0.003 3 0 "[ . 1 . 2]" 1
287 1 32 GLU H 1 33 ILE H 1.800 . 3.500 2.724 2.583 2.857 . 0 0 "[ . 1 . 2]" 1
288 1 32 GLU HA 1 35 GLU QB 1.800 . 4.000 2.755 2.170 3.824 . 0 0 "[ . 1 . 2]" 1
289 1 31 LEU QD 1 32 GLU H 1.800 . 5.500 3.520 1.914 4.276 . 0 0 "[ . 1 . 2]" 1
290 1 8 PHE QD 1 32 GLU HA 1.800 . 6.000 5.864 4.979 6.008 0.008 11 0 "[ . 1 . 2]" 1
291 1 30 SER HA 1 33 ILE H 1.800 . 4.500 3.502 3.283 3.615 . 0 0 "[ . 1 . 2]" 1
292 1 32 GLU HA 1 33 ILE H 1.800 . 4.000 3.513 3.474 3.560 . 0 0 "[ . 1 . 2]" 1
293 1 32 GLU QB 1 33 ILE H 1.800 . 4.000 2.713 2.353 2.959 . 0 0 "[ . 1 . 2]" 1
294 1 33 ILE H 1 33 ILE HB 1.800 . 3.000 2.616 2.554 2.682 . 0 0 "[ . 1 . 2]" 1
295 1 33 ILE H 1 33 ILE QG 1.800 . 4.300 2.116 1.951 2.782 . 0 0 "[ . 1 . 2]" 1
296 1 33 ILE H 1 34 PHE H 1.800 . 3.000 2.603 2.440 2.812 . 0 0 "[ . 1 . 2]" 1
297 1 33 ILE HA 1 36 GLU QB 1.800 . 4.000 3.425 2.993 3.800 . 0 0 "[ . 1 . 2]" 1
298 1 33 ILE HB 1 34 PHE QD 1.800 . 6.000 3.937 3.324 4.250 . 0 0 "[ . 1 . 2]" 1
299 1 33 ILE HB 1 34 PHE QE 1.800 . 5.000 4.298 3.516 4.693 . 0 0 "[ . 1 . 2]" 1
300 1 33 ILE HB 1 34 PHE HZ 1.800 . 5.500 5.146 4.699 5.502 0.002 11 0 "[ . 1 . 2]" 1
301 1 33 ILE MG 1 34 PHE QD 1.800 . 6.000 3.863 3.413 4.406 . 0 0 "[ . 1 . 2]" 1
302 1 33 ILE MG 1 34 PHE QE 1.800 . 5.000 4.200 3.634 4.716 . 0 0 "[ . 1 . 2]" 1
303 1 33 ILE MG 1 34 PHE HZ 1.800 . 5.500 5.329 5.018 5.511 0.011 2 0 "[ . 1 . 2]" 1
304 1 30 SER HA 1 34 PHE H 1.800 . 5.500 4.912 4.139 5.149 . 0 0 "[ . 1 . 2]" 1
305 1 31 LEU HA 1 34 PHE H 1.800 . 4.500 3.291 3.072 3.519 . 0 0 "[ . 1 . 2]" 1
306 1 32 GLU HA 1 34 PHE H 1.800 . 5.000 4.555 4.218 4.805 . 0 0 "[ . 1 . 2]" 1
307 1 33 ILE HA 1 34 PHE H 1.800 . 4.500 3.542 3.491 3.564 . 0 0 "[ . 1 . 2]" 1
308 1 33 ILE HB 1 34 PHE H 1.800 . 4.000 2.536 2.378 2.838 . 0 0 "[ . 1 . 2]" 1
309 1 33 ILE QG 1 34 PHE H 1.800 . 4.500 3.965 3.769 4.370 . 0 0 "[ . 1 . 2]" 1
310 1 33 ILE MG 1 34 PHE H 1.800 . 4.500 3.559 3.417 3.757 . 0 0 "[ . 1 . 2]" 1
311 1 34 PHE H 1 35 GLU H 1.800 . 3.500 2.570 2.406 2.688 . 0 0 "[ . 1 . 2]" 1
312 1 34 PHE HA 1 37 LEU QB 1.800 . 4.000 2.298 1.954 3.991 . 0 0 "[ . 1 . 2]" 1
313 1 34 PHE H 1 37 LEU MD1 1.800 . 5.000 5.001 4.891 5.027 0.027 15 0 "[ . 1 . 2]" 1
314 1 34 PHE H 1 34 PHE QD 1.800 . 4.000 3.026 2.299 3.281 . 0 0 "[ . 1 . 2]" 1
315 1 34 PHE H 1 34 PHE QE 1.800 . 5.000 4.413 4.177 4.726 . 0 0 "[ . 1 . 2]" 1
316 1 31 LEU QD 1 34 PHE H 1.800 . 6.000 4.172 3.547 5.187 . 0 0 "[ . 1 . 2]" 1
317 1 33 ILE MG 1 34 PHE HA 1.800 . 5.500 3.667 3.555 3.766 . 0 0 "[ . 1 . 2]" 1
318 1 34 PHE HA 1 37 LEU MD1 1.800 . 4.500 2.823 2.526 3.114 . 0 0 "[ . 1 . 2]" 1
319 1 34 PHE QB 1 38 TYR QD 1.800 . 5.500 4.375 4.044 4.951 . 0 0 "[ . 1 . 2]" 1
320 1 34 PHE QB 1 37 LEU MD1 1.800 . 5.000 3.849 2.903 4.522 . 0 0 "[ . 1 . 2]" 1
321 1 32 GLU HA 1 35 GLU H 1.800 . 4.500 3.551 3.284 3.876 . 0 0 "[ . 1 . 2]" 1
322 1 33 ILE H 1 35 GLU H 1.800 . 5.000 3.926 3.766 4.198 . 0 0 "[ . 1 . 2]" 1
323 1 34 PHE HA 1 35 GLU H 1.800 . 4.000 3.505 3.466 3.555 . 0 0 "[ . 1 . 2]" 1
324 1 34 PHE QB 1 35 GLU H 1.800 . 4.000 2.727 2.455 2.908 . 0 0 "[ . 1 . 2]" 1
325 1 35 GLU H 1 35 GLU QB 1.800 . 3.500 2.246 2.045 2.582 . 0 0 "[ . 1 . 2]" 1
326 1 35 GLU H 1 36 GLU H 1.800 . 3.500 2.745 2.649 2.824 . 0 0 "[ . 1 . 2]" 1
327 1 32 GLU HA 1 35 GLU QG 1.800 . 5.000 3.986 1.914 4.743 . 0 0 "[ . 1 . 2]" 1
328 1 35 GLU HA 1 38 TYR QB 1.800 . 4.000 3.694 2.047 4.034 0.034 3 0 "[ . 1 . 2]" 1
329 1 8 PHE QD 1 35 GLU HA 1.800 . 6.000 4.510 2.809 5.659 . 0 0 "[ . 1 . 2]" 1
330 1 8 PHE QB 1 35 GLU QG 1.800 . 7.000 3.306 1.947 5.607 . 0 0 "[ . 1 . 2]" 1
331 1 8 PHE QD 1 35 GLU QG 1.800 . 7.000 2.828 1.980 4.702 . 0 0 "[ . 1 . 2]" 1
332 1 35 GLU H 1 38 TYR QD 1.800 . 5.000 4.455 4.177 5.024 0.024 15 0 "[ . 1 . 2]" 1
333 1 35 GLU HA 1 38 TYR QD 1.800 . 4.000 2.061 1.893 2.631 . 0 0 "[ . 1 . 2]" 1
334 1 32 GLU HA 1 36 GLU H 1.800 . 5.000 4.465 4.017 4.831 . 0 0 "[ . 1 . 2]" 1
335 1 33 ILE HA 1 36 GLU H 1.800 . 4.500 3.756 3.642 3.981 . 0 0 "[ . 1 . 2]" 1
336 1 35 GLU HA 1 36 GLU H 1.800 . 4.500 3.540 3.494 3.563 . 0 0 "[ . 1 . 2]" 1
337 1 35 GLU QB 1 36 GLU H 1.800 . 3.500 2.645 2.355 3.390 . 0 0 "[ . 1 . 2]" 1
338 1 35 GLU QG 1 36 GLU H 1.800 . 5.000 3.653 1.946 4.508 . 0 0 "[ . 1 . 2]" 1
339 1 36 GLU H 1 37 LEU H 1.800 . 3.000 2.468 2.373 2.784 . 0 0 "[ . 1 . 2]" 1
340 1 36 GLU H 1 36 GLU HA 1.800 . 3.000 2.861 2.793 2.883 . 0 0 "[ . 1 . 2]" 1
341 1 36 GLU H 1 36 GLU QB 1.800 . 3.000 2.234 2.080 2.582 . 0 0 "[ . 1 . 2]" 1
342 1 36 GLU H 1 36 GLU QG 1.800 . 4.000 3.348 2.007 4.005 0.005 13 0 "[ . 1 . 2]" 1
343 1 36 GLU HA 1 39 LYS QB 1.800 . 4.000 2.674 2.034 3.744 . 0 0 "[ . 1 . 2]" 1
344 1 34 PHE HA 1 37 LEU H 1.800 . 4.500 3.182 2.970 3.490 . 0 0 "[ . 1 . 2]" 1
345 1 36 GLU HA 1 37 LEU H 1.800 . 4.500 3.472 3.426 3.557 . 0 0 "[ . 1 . 2]" 1
346 1 36 GLU QB 1 37 LEU H 1.800 . 4.000 2.874 2.343 3.077 . 0 0 "[ . 1 . 2]" 1
347 1 37 LEU H 1 37 LEU QB 1.800 . 3.500 2.161 2.055 2.653 . 0 0 "[ . 1 . 2]" 1
348 1 37 LEU H 1 37 LEU MD2 1.800 . 5.500 4.151 3.301 4.268 . 0 0 "[ . 1 . 2]" 1
349 1 37 LEU H 1 38 TYR H 1.800 . 3.000 2.656 2.458 2.767 . 0 0 "[ . 1 . 2]" 1
350 1 37 LEU HA 1 40 TYR QB 1.800 . 5.000 2.717 2.091 4.126 . 0 0 "[ . 1 . 2]" 1
351 1 34 PHE QE 1 37 LEU MD1 1.800 . 5.000 3.918 3.252 4.686 . 0 0 "[ . 1 . 2]" 1
352 1 34 PHE QD 1 37 LEU MD1 1.800 . 4.500 2.623 2.092 3.193 . 0 0 "[ . 1 . 2]" 1
353 1 34 PHE QD 1 37 LEU MD2 1.800 . 6.000 4.826 2.697 5.575 . 0 0 "[ . 1 . 2]" 1
354 1 33 ILE MG 1 37 LEU H 1.800 . 5.000 4.368 4.042 4.699 . 0 0 "[ . 1 . 2]" 1
355 1 34 PHE HA 1 38 TYR H 1.800 . 4.000 3.906 3.310 4.020 0.020 3 0 "[ . 1 . 2]" 1
356 1 35 GLU HA 1 38 TYR H 1.800 . 5.000 3.801 3.395 3.961 . 0 0 "[ . 1 . 2]" 1
357 1 37 LEU HA 1 38 TYR H 1.800 . 4.000 3.553 3.460 3.570 . 0 0 "[ . 1 . 2]" 1
358 1 37 LEU QB 1 38 TYR H 1.800 . 4.500 2.494 2.336 3.565 . 0 0 "[ . 1 . 2]" 1
359 1 37 LEU HG 1 38 TYR H 1.800 . 5.000 4.768 2.641 5.000 0.000 12 0 "[ . 1 . 2]" 1
360 1 37 LEU QD 1 38 TYR H 1.800 . 5.500 3.222 2.233 3.980 . 0 0 "[ . 1 . 2]" 1
361 1 37 LEU MD1 1 38 TYR H 1.800 . 5.500 3.983 2.241 4.576 . 0 0 "[ . 1 . 2]" 1
362 1 37 LEU MD2 1 38 TYR H 1.800 . 6.000 3.662 3.249 4.374 . 0 0 "[ . 1 . 2]" 1
363 1 38 TYR H 1 38 TYR HA 1.800 . 3.000 2.826 2.792 2.846 . 0 0 "[ . 1 . 2]" 1
364 1 38 TYR H 1 38 TYR QB 1.800 . 3.000 2.209 2.056 2.295 . 0 0 "[ . 1 . 2]" 1
365 1 38 TYR H 1 39 LYS H 1.800 . 3.000 2.605 2.522 2.698 . 0 0 "[ . 1 . 2]" 1
366 1 38 TYR HA 1 41 ALA MB 1.800 . 4.000 3.102 2.395 3.544 . 0 0 "[ . 1 . 2]" 1
367 1 37 LEU QD 1 38 TYR HA 1.800 . 4.500 3.113 2.109 4.504 0.004 5 0 "[ . 1 . 2]" 1
368 1 37 LEU QD 1 38 TYR QB 1.800 . 5.000 3.741 2.445 4.771 . 0 0 "[ . 1 . 2]" 1
369 1 38 TYR H 1 41 ALA MB 1.800 . 5.500 5.103 4.418 5.502 0.002 19 0 "[ . 1 . 2]" 1
370 1 36 GLU HA 1 39 LYS H 1.800 . 4.500 3.490 3.238 3.798 . 0 0 "[ . 1 . 2]" 1
371 1 38 TYR HA 1 39 LYS H 1.800 . 4.500 3.507 3.461 3.552 . 0 0 "[ . 1 . 2]" 1
372 1 38 TYR QB 1 39 LYS H 1.800 . 4.500 3.339 2.605 3.572 . 0 0 "[ . 1 . 2]" 1
373 1 38 TYR QD 1 39 LYS H 1.800 . 5.000 3.209 2.238 3.760 . 0 0 "[ . 1 . 2]" 1
374 1 39 LYS H 1 40 TYR H 1.800 . 3.500 2.497 2.389 2.711 . 0 0 "[ . 1 . 2]" 1
375 1 38 TYR QD 1 39 LYS HA 1.800 . 5.500 3.405 2.863 4.136 . 0 0 "[ . 1 . 2]" 1
376 1 38 TYR QD 1 39 LYS QG 1.800 . 6.000 4.041 3.129 5.477 . 0 0 "[ . 1 . 2]" 1
377 1 38 TYR QE 1 39 LYS QG 1.800 . 6.000 3.482 2.244 5.707 . 0 0 "[ . 1 . 2]" 1
378 1 38 TYR QD 1 39 LYS QD 1.800 . 5.000 4.244 3.300 4.822 . 0 0 "[ . 1 . 2]" 1
379 1 38 TYR QE 1 39 LYS QD 1.800 . 5.500 3.243 2.219 4.141 . 0 0 "[ . 1 . 2]" 1
380 1 39 LYS HA 1 42 LEU QB 1.800 . 4.000 2.534 2.033 3.558 . 0 0 "[ . 1 . 2]" 1
381 1 39 LYS HA 1 42 LEU QD 1.800 . 5.500 2.341 1.943 2.894 . 0 0 "[ . 1 . 2]" 1
382 1 39 LYS HA 1 42 LEU HG 1.800 . 5.000 4.074 2.965 4.894 . 0 0 "[ . 1 . 2]" 1
383 1 39 LYS QD 1 42 LEU MD1 1.800 . 6.000 3.898 2.236 5.224 . 0 0 "[ . 1 . 2]" 1
384 1 40 TYR H 1 41 ALA H 1.800 . 3.500 2.720 2.528 2.875 . 0 0 "[ . 1 . 2]" 1
385 1 37 LEU HA 1 40 TYR H 1.800 . 4.500 3.521 3.251 3.849 . 0 0 "[ . 1 . 2]" 1
386 1 39 LYS HA 1 40 TYR H 1.800 . 4.500 3.506 3.466 3.569 . 0 0 "[ . 1 . 2]" 1
387 1 40 TYR H 1 40 TYR HA 1.800 . 3.000 2.815 2.768 2.845 . 0 0 "[ . 1 . 2]" 1
388 1 40 TYR H 1 40 TYR QB 1.800 . 3.500 2.236 2.201 2.273 . 0 0 "[ . 1 . 2]" 1
389 1 40 TYR HA 1 43 ASN QB 1.800 . 4.000 3.166 2.521 3.611 . 0 0 "[ . 1 . 2]" 1
390 1 40 TYR QB 1 41 ALA MB 1.800 . 6.000 3.885 3.701 4.717 . 0 0 "[ . 1 . 2]" 1
391 1 38 TYR HA 1 41 ALA H 1.800 . 4.500 3.745 3.440 4.102 . 0 0 "[ . 1 . 2]" 1
392 1 40 TYR HA 1 41 ALA H 1.800 . 4.000 3.553 3.484 3.562 . 0 0 "[ . 1 . 2]" 1
393 1 40 TYR QB 1 41 ALA H 1.800 . 4.500 2.513 2.412 3.513 . 0 0 "[ . 1 . 2]" 1
394 1 41 ALA H 1 41 ALA HA 1.800 . 3.000 2.814 2.780 2.870 . 0 0 "[ . 1 . 2]" 1
395 1 41 ALA H 1 41 ALA MB 1.800 . 3.500 2.135 2.073 2.216 . 0 0 "[ . 1 . 2]" 1
396 1 41 ALA H 1 42 LEU H 1.800 . 3.000 2.626 2.448 2.721 . 0 0 "[ . 1 . 2]" 1
397 1 41 ALA HA 1 44 GLU QB 1.800 . 4.000 3.260 2.275 3.989 . 0 0 "[ . 1 . 2]" 1
398 1 40 TYR QE 1 41 ALA MB 1.800 . 4.500 4.472 3.827 4.511 0.011 14 0 "[ . 1 . 2]" 1
399 1 40 TYR QD 1 41 ALA H 1.800 . 5.000 2.902 2.717 3.320 . 0 0 "[ . 1 . 2]" 1
400 1 40 TYR QD 1 41 ALA HA 1.800 . 6.000 2.844 2.581 3.322 . 0 0 "[ . 1 . 2]" 1
401 1 40 TYR QE 1 41 ALA HA 1.800 . 6.000 3.959 3.497 4.378 . 0 0 "[ . 1 . 2]" 1
402 1 39 LYS HA 1 42 LEU H 1.800 . 4.500 3.464 3.263 3.830 . 0 0 "[ . 1 . 2]" 1
403 1 40 TYR HA 1 42 LEU H 1.800 . 5.000 4.045 3.767 4.314 . 0 0 "[ . 1 . 2]" 1
404 1 41 ALA HA 1 42 LEU H 1.800 . 4.000 3.466 3.393 3.492 . 0 0 "[ . 1 . 2]" 1
405 1 41 ALA MB 1 42 LEU H 1.800 . 4.000 2.917 2.804 3.121 . 0 0 "[ . 1 . 2]" 1
406 1 42 LEU H 1 42 LEU QB 1.800 . 4.000 2.149 2.029 2.359 . 0 0 "[ . 1 . 2]" 1
407 1 42 LEU H 1 42 LEU QD 1.800 . 6.000 3.328 2.984 3.621 . 0 0 "[ . 1 . 2]" 1
408 1 42 LEU H 1 42 LEU MD1 1.800 . 6.000 3.561 3.041 4.061 . 0 0 "[ . 1 . 2]" 1
409 1 42 LEU H 1 42 LEU MD2 1.800 . 6.000 4.117 3.444 4.424 . 0 0 "[ . 1 . 2]" 1
410 1 42 LEU H 1 43 ASN H 1.800 . 3.500 2.547 2.396 2.794 . 0 0 "[ . 1 . 2]" 1
411 1 42 LEU HA 1 45 ASN QB 1.800 . 4.000 3.352 2.159 3.970 . 0 0 "[ . 1 . 2]" 1
412 1 42 LEU QD 1 45 ASN QB 1.800 . 6.000 3.856 3.036 4.756 . 0 0 "[ . 1 . 2]" 1
413 1 42 LEU HA 1 45 ASN QD 1.800 . 4.500 3.985 1.982 4.502 0.002 10 0 "[ . 1 . 2]" 1
414 1 42 LEU QD 1 45 ASN QD 1.800 . 6.000 4.245 3.010 5.382 . 0 0 "[ . 1 . 2]" 1
415 1 41 ALA MB 1 42 LEU HG 1.800 . 5.000 4.184 3.572 5.000 0.000 18 0 "[ . 1 . 2]" 1
416 1 38 TYR QB 1 42 LEU MD1 1.800 . 6.000 4.014 3.268 5.282 . 0 0 "[ . 1 . 2]" 1
417 1 38 TYR QD 1 42 LEU MD1 1.800 . 5.500 2.409 1.841 3.706 . 0 0 "[ . 1 . 2]" 1
418 1 38 TYR QE 1 42 LEU MD1 1.800 . 5.000 2.609 2.088 3.560 . 0 0 "[ . 1 . 2]" 1
419 1 38 TYR QD 1 42 LEU MD2 1.800 . 6.000 4.423 3.721 5.801 . 0 0 "[ . 1 . 2]" 1
420 1 38 TYR QE 1 42 LEU MD2 1.800 . 5.000 4.507 3.037 5.002 0.002 12 0 "[ . 1 . 2]" 1
421 1 40 TYR HA 1 43 ASN H 1.800 . 4.500 3.576 3.281 3.940 . 0 0 "[ . 1 . 2]" 1
422 1 41 ALA H 1 43 ASN H 1.800 . 5.000 4.268 4.129 4.542 . 0 0 "[ . 1 . 2]" 1
423 1 42 LEU HA 1 43 ASN H 1.800 . 4.000 3.501 3.481 3.557 . 0 0 "[ . 1 . 2]" 1
424 1 42 LEU QB 1 43 ASN H 1.800 . 4.500 2.807 2.488 2.933 . 0 0 "[ . 1 . 2]" 1
425 1 42 LEU QD 1 43 ASN H 1.800 . 6.000 4.169 3.869 4.255 . 0 0 "[ . 1 . 2]" 1
426 1 42 LEU MD1 1 43 ASN H 1.800 . 6.000 4.721 4.359 4.951 . 0 0 "[ . 1 . 2]" 1
427 1 42 LEU MD2 1 43 ASN H 1.800 . 6.000 4.664 4.164 4.894 . 0 0 "[ . 1 . 2]" 1
428 1 43 ASN H 1 43 ASN HA 1.800 . 3.000 2.854 2.800 2.880 . 0 0 "[ . 1 . 2]" 1
429 1 43 ASN H 1 43 ASN QB 1.800 . 3.000 2.159 2.047 2.320 . 0 0 "[ . 1 . 2]" 1
430 1 41 ALA HA 1 44 GLU H 1.800 . 4.500 3.381 3.039 3.625 . 0 0 "[ . 1 . 2]" 1
431 1 43 ASN HA 1 44 GLU H 1.800 . 3.500 3.497 3.459 3.537 0.037 10 0 "[ . 1 . 2]" 1
432 1 43 ASN QB 1 44 GLU H 1.800 . 4.500 2.813 2.535 2.967 . 0 0 "[ . 1 . 2]" 1
433 1 43 ASN H 1 44 GLU H 1.800 . 3.000 2.500 2.395 2.679 . 0 0 "[ . 1 . 2]" 1
434 1 44 GLU H 1 44 GLU HA 1.800 . 3.000 2.806 2.772 2.880 . 0 0 "[ . 1 . 2]" 1
435 1 44 GLU H 1 44 GLU QB 1.800 . 3.000 2.428 2.041 2.742 . 0 0 "[ . 1 . 2]" 1
436 1 44 GLU H 1 44 GLU QG 1.800 . 4.000 2.409 1.959 3.986 . 0 0 "[ . 1 . 2]" 1
437 1 44 GLU H 1 45 ASN H 1.800 . 4.000 2.652 2.419 2.753 . 0 0 "[ . 1 . 2]" 1
438 1 41 ALA HA 1 44 GLU QG 1.800 . 5.500 2.442 1.854 4.146 . 0 0 "[ . 1 . 2]" 1
439 1 40 TYR QD 1 44 GLU QG 1.800 . 6.000 3.825 2.955 5.494 . 0 0 "[ . 1 . 2]" 1
440 1 40 TYR QE 1 44 GLU QG 1.800 . 6.000 3.598 2.527 5.196 . 0 0 "[ . 1 . 2]" 1
441 1 44 GLU HA 1 45 ASN H 1.800 . 3.500 3.472 3.415 3.532 0.032 16 0 "[ . 1 . 2]" 1
442 1 44 GLU QB 1 45 ASN H 1.800 . 5.000 3.173 2.506 3.712 . 0 0 "[ . 1 . 2]" 1
443 1 45 ASN HA 1 46 SER H 1.800 . 3.500 3.485 3.370 3.527 0.027 15 0 "[ . 1 . 2]" 1
444 1 47 ASN HA 1 48 ASP H 1.800 . 3.500 2.601 2.140 3.537 0.037 9 0 "[ . 1 . 2]" 1
445 1 47 ASN QB 1 48 ASP H 1.800 . 5.000 3.239 2.067 4.006 . 0 0 "[ . 1 . 2]" 1
446 1 49 ARG H 1 49 ARG QG 1.800 . 4.000 3.406 1.969 4.023 0.023 18 0 "[ . 1 . 2]" 1
447 1 49 ARG HA 1 50 SER H 1.800 . 4.500 2.717 2.142 3.570 . 0 0 "[ . 1 . 2]" 1
448 1 50 SER HA 1 51 GLU H 1.800 . 4.500 2.871 2.144 3.571 . 0 0 "[ . 1 . 2]" 1
449 1 50 SER QB 1 51 GLU H 1.800 . 5.000 3.121 1.957 4.007 . 0 0 "[ . 1 . 2]" 1
450 1 54 LYS HA 1 55 LYS H 1.800 . 3.000 2.285 2.138 2.942 . 0 0 "[ . 1 . 2]" 1
451 1 55 LYS H 1 55 LYS QG 1.800 . 5.000 3.469 1.982 4.523 . 0 0 "[ . 1 . 2]" 1
452 1 55 LYS QB 1 56 PRO QD 1.800 . 4.500 2.667 1.838 3.833 . 0 0 "[ . 1 . 2]" 1
453 1 56 PRO HA 1 57 ARG H 1.800 . 3.000 2.399 2.150 2.994 . 0 0 "[ . 1 . 2]" 1
454 1 56 PRO QB 1 57 ARG H 1.800 . 5.000 3.291 2.196 4.002 . 0 0 "[ . 1 . 2]" 1
455 1 57 ARG HA 1 58 ILE H 1.800 . 3.000 2.401 2.142 2.934 . 0 0 "[ . 1 . 2]" 1
456 1 58 ILE H 1 58 ILE HB 1.800 . 3.500 3.020 2.627 3.570 0.070 10 0 "[ . 1 . 2]" 1
457 1 58 ILE H 1 58 ILE QG 1.800 . 4.500 2.984 1.938 4.245 . 0 0 "[ . 1 . 2]" 1
458 1 58 ILE H 1 58 ILE MG 1.800 . 5.000 3.329 1.971 4.023 . 0 0 "[ . 1 . 2]" 1
459 1 58 ILE HA 1 58 ILE QG 1.800 . 4.500 2.719 2.277 3.301 . 0 0 "[ . 1 . 2]" 1
460 1 58 ILE HA 1 58 ILE MG 1.800 . 4.500 2.531 2.129 3.204 . 0 0 "[ . 1 . 2]" 1
461 1 58 ILE HA 1 59 ASP H 1.800 . 3.500 2.544 2.143 3.538 0.038 5 0 "[ . 1 . 2]" 1
462 1 58 ILE HB 1 59 ASP H 1.800 . 5.000 3.650 1.874 4.467 . 0 0 "[ . 1 . 2]" 1
463 1 58 ILE MG 1 59 ASP H 1.800 . 6.000 3.137 2.042 4.080 . 0 0 "[ . 1 . 2]" 1
464 2 5 SER HA 2 6 LYS H 1.800 . 3.000 2.346 2.139 2.877 . 0 0 "[ . 1 . 2]" 1
465 2 5 SER QB 2 6 LYS H 1.800 . 5.000 3.270 2.011 4.045 . 0 0 "[ . 1 . 2]" 1
466 2 6 LYS H 2 6 LYS QB 1.800 . 3.500 2.689 2.072 3.169 . 0 0 "[ . 1 . 2]" 1
467 2 6 LYS H 2 6 LYS QG 1.800 . 5.000 3.255 1.933 4.274 . 0 0 "[ . 1 . 2]" 1
468 2 6 LYS HA 2 6 LYS QE 1.800 . 6.000 4.218 2.058 5.673 . 0 0 "[ . 1 . 2]" 1
469 2 6 LYS HA 2 9 LEU MD1 1.800 . 5.500 4.744 3.587 5.505 0.005 15 0 "[ . 1 . 2]" 1
470 2 6 LYS QB 2 9 LEU MD1 1.800 . 5.500 3.926 2.333 5.499 . 0 0 "[ . 1 . 2]" 1
471 2 6 LYS HA 2 7 LEU H 1.800 . 3.500 2.509 2.141 3.541 0.041 19 0 "[ . 1 . 2]" 1
472 2 6 LYS QB 2 7 LEU H 1.800 . 5.000 3.235 1.959 3.868 . 0 0 "[ . 1 . 2]" 1
473 2 6 LYS QG 2 7 LEU H 1.800 . 5.500 3.910 2.801 4.594 . 0 0 "[ . 1 . 2]" 1
474 2 7 LEU H 2 7 LEU QB 1.800 . 3.500 2.593 2.099 3.183 . 0 0 "[ . 1 . 2]" 1
475 2 7 LEU H 2 7 LEU HG 1.800 . 4.500 3.846 2.288 4.503 0.003 16 0 "[ . 1 . 2]" 1
476 2 7 LEU H 2 7 LEU QD 1.800 . 6.000 3.224 1.914 4.043 . 0 0 "[ . 1 . 2]" 1
477 2 7 LEU HA 2 7 LEU QD 1.800 . 5.000 2.571 1.893 3.335 . 0 0 "[ . 1 . 2]" 1
478 2 7 LEU HA 2 8 PHE H 1.800 . 3.500 2.796 2.142 3.548 0.048 17 0 "[ . 1 . 2]" 1
479 2 7 LEU QB 2 8 PHE H 1.800 . 5.000 3.186 2.362 3.912 . 0 0 "[ . 1 . 2]" 1
480 2 7 LEU QD 2 8 PHE H 1.800 . 6.000 3.826 2.467 4.522 . 0 0 "[ . 1 . 2]" 1
481 2 8 PHE H 2 8 PHE QD 1.800 . 4.500 3.522 2.037 4.479 . 0 0 "[ . 1 . 2]" 1
482 2 8 PHE H 2 10 ASP H 1.800 . 6.000 3.595 2.493 4.827 . 0 0 "[ . 1 . 2]" 1
483 2 8 PHE HA 2 11 GLU QB 1.800 . 4.000 3.720 2.823 4.019 0.019 14 0 "[ . 1 . 2]" 1
484 2 8 PHE HA 2 8 PHE QD 1.800 . 4.500 3.011 1.981 3.729 . 0 0 "[ . 1 . 2]" 1
485 2 8 PHE HA 2 11 GLU QG 1.800 . 5.000 4.389 3.562 5.000 . 0 0 "[ . 1 . 2]" 1
486 2 8 PHE QB 2 11 GLU QG 1.800 . 6.000 5.720 5.216 6.010 0.010 8 0 "[ . 1 . 2]" 1
487 2 9 LEU HA 2 9 LEU HG 1.800 . 4.000 2.555 2.152 3.089 . 0 0 "[ . 1 . 2]" 1
488 2 9 LEU HA 2 9 LEU QD 1.800 . 5.500 2.639 1.986 3.090 . 0 0 "[ . 1 . 2]" 1
489 2 9 LEU HA 2 9 LEU MD1 1.800 . 5.500 3.608 3.079 3.912 . 0 0 "[ . 1 . 2]" 1
490 2 9 LEU HA 2 9 LEU MD2 1.800 . 4.500 2.853 1.993 3.615 . 0 0 "[ . 1 . 2]" 1
491 2 9 LEU HA 2 12 LEU QB 1.800 . 6.000 4.110 1.961 5.264 . 0 0 "[ . 1 . 2]" 1
492 2 9 LEU HA 2 12 LEU HG 1.800 . 4.500 2.812 1.962 4.335 . 0 0 "[ . 1 . 2]" 1
493 2 9 LEU HA 2 12 LEU QD 1.800 . 6.000 2.029 1.881 2.442 . 0 0 "[ . 1 . 2]" 1
494 2 8 PHE QD 2 9 LEU QD 1.800 . 6.000 2.745 1.976 3.640 . 0 0 "[ . 1 . 2]" 1
495 2 8 PHE QD 2 9 LEU MD1 1.800 . 6.000 3.191 1.979 4.459 . 0 0 "[ . 1 . 2]" 1
496 2 8 PHE QD 2 9 LEU MD2 1.800 . 5.000 3.881 2.056 4.940 . 0 0 "[ . 1 . 2]" 1
497 2 8 PHE QE 2 9 LEU QD 1.800 . 6.000 3.372 2.010 4.815 . 0 0 "[ . 1 . 2]" 1
498 2 8 PHE QE 2 9 LEU MD1 1.800 . 5.500 3.821 2.015 5.504 0.004 7 0 "[ . 1 . 2]" 1
499 2 8 PHE QE 2 9 LEU MD2 1.800 . 6.000 4.217 2.263 5.738 . 0 0 "[ . 1 . 2]" 1
500 2 9 LEU HA 2 20 ILE MD 1.800 . 6.000 4.770 4.295 5.285 . 0 0 "[ . 1 . 2]" 1
501 2 9 LEU QD 2 20 ILE MD 1.800 . 5.500 3.123 2.292 4.193 . 0 0 "[ . 1 . 2]" 1
502 2 9 LEU MD1 2 20 ILE MD 1.800 . 5.000 4.842 4.312 5.011 0.011 14 0 "[ . 1 . 2]" 1
503 2 9 LEU MD2 2 20 ILE MD 1.800 . 4.500 3.185 2.301 4.501 0.001 6 0 "[ . 1 . 2]" 1
504 2 9 LEU QD 2 20 ILE MG 1.800 . 6.000 2.610 1.840 3.625 . 0 0 "[ . 1 . 2]" 1
505 2 9 LEU MD1 2 20 ILE MG 1.800 . 5.500 3.798 2.818 4.458 . 0 0 "[ . 1 . 2]" 1
506 2 9 LEU MD2 2 20 ILE MG 1.800 . 5.000 2.682 1.844 4.008 . 0 0 "[ . 1 . 2]" 1
507 2 9 LEU QD 2 20 ILE HB 1.800 . 6.000 2.767 2.099 3.862 . 0 0 "[ . 1 . 2]" 1
508 2 9 LEU MD1 2 20 ILE HB 1.800 . 6.000 4.629 3.592 5.212 . 0 0 "[ . 1 . 2]" 1
509 2 9 LEU MD2 2 20 ILE HB 1.800 . 5.000 2.804 2.114 3.988 . 0 0 "[ . 1 . 2]" 1
510 2 9 LEU QD 2 17 SER HA 1.800 . 6.000 2.932 2.148 3.560 . 0 0 "[ . 1 . 2]" 1
511 2 9 LEU MD2 2 17 SER HA 1.800 . 5.000 2.957 2.151 3.588 . 0 0 "[ . 1 . 2]" 1
512 2 9 LEU QD 2 17 SER QB 1.800 . 6.000 2.530 1.840 3.421 . 0 0 "[ . 1 . 2]" 1
513 2 9 LEU QD 2 24 VAL MG2 1.800 . 6.000 2.855 2.000 3.329 . 0 0 "[ . 1 . 2]" 1
514 2 9 LEU MD1 2 31 LEU MD1 1.800 . 5.500 3.696 1.964 5.058 . 0 0 "[ . 1 . 2]" 1
515 2 9 LEU MD1 2 31 LEU MD2 1.800 . 5.000 3.986 2.346 5.000 0.000 14 0 "[ . 1 . 2]" 1
516 2 9 LEU MD2 2 31 LEU MD2 1.800 . 5.500 4.464 3.017 5.504 0.004 14 0 "[ . 1 . 2]" 1
517 2 9 LEU HA 2 10 ASP H 1.800 . 4.500 3.327 2.917 3.555 . 0 0 "[ . 1 . 2]" 1
518 2 9 LEU QB 2 10 ASP H 1.800 . 5.000 3.121 2.431 3.770 . 0 0 "[ . 1 . 2]" 1
519 2 9 LEU QD 2 10 ASP H 1.800 . 6.000 4.177 3.469 4.592 . 0 0 "[ . 1 . 2]" 1
520 2 7 LEU HA 2 10 ASP H 1.800 . 4.500 3.921 3.310 4.510 0.010 4 0 "[ . 1 . 2]" 1
521 2 7 LEU MD2 2 10 ASP H 1.800 . 6.000 5.447 4.445 6.004 0.004 6 0 "[ . 1 . 2]" 1
522 2 10 ASP H 2 11 GLU H 1.800 . 5.000 2.382 1.950 2.838 . 0 0 "[ . 1 . 2]" 1
523 2 11 GLU H 2 11 GLU QB 1.800 . 3.500 2.445 2.250 2.623 . 0 0 "[ . 1 . 2]" 1
524 2 11 GLU H 2 11 GLU QG 1.800 . 4.500 2.724 1.977 3.965 . 0 0 "[ . 1 . 2]" 1
525 2 11 GLU H 2 12 LEU H 1.800 . 3.000 2.632 2.054 3.003 0.003 5 0 "[ . 1 . 2]" 1
526 2 8 PHE HA 2 11 GLU H 1.800 . 4.500 4.038 3.345 4.508 0.008 20 0 "[ . 1 . 2]" 1
527 2 9 LEU HA 2 11 GLU H 1.800 . 5.000 4.228 3.453 4.853 . 0 0 "[ . 1 . 2]" 1
528 2 10 ASP HA 2 11 GLU H 1.800 . 5.000 3.459 2.950 3.553 . 0 0 "[ . 1 . 2]" 1
529 2 10 ASP QB 2 11 GLU H 1.800 . 5.000 2.903 2.487 3.769 . 0 0 "[ . 1 . 2]" 1
530 2 11 GLU H 2 12 LEU HG 1.800 . 5.000 4.096 2.985 5.003 0.003 7 0 "[ . 1 . 2]" 1
531 2 11 GLU H 2 12 LEU QB 1.800 . 6.000 4.657 4.001 5.215 . 0 0 "[ . 1 . 2]" 1
532 2 11 GLU H 2 12 LEU QD 1.800 . 6.000 4.008 2.443 4.580 . 0 0 "[ . 1 . 2]" 1
533 2 12 LEU H 2 12 LEU QB 1.800 . 3.500 2.366 2.185 2.735 . 0 0 "[ . 1 . 2]" 1
534 2 12 LEU H 2 12 LEU HG 1.800 . 3.500 2.547 1.941 2.957 . 0 0 "[ . 1 . 2]" 1
535 2 12 LEU H 2 12 LEU QD 1.800 . 5.500 2.888 2.235 3.159 . 0 0 "[ . 1 . 2]" 1
536 2 9 LEU HA 2 12 LEU H 1.800 . 5.000 4.113 3.153 5.006 0.006 14 0 "[ . 1 . 2]" 1
537 2 10 ASP QB 2 12 LEU H 1.800 . 5.500 5.164 4.866 5.505 0.005 2 0 "[ . 1 . 2]" 1
538 2 11 GLU HA 2 12 LEU H 1.800 . 4.500 3.566 3.537 3.574 . 0 0 "[ . 1 . 2]" 1
539 2 11 GLU QB 2 12 LEU H 1.800 . 5.000 2.183 1.955 2.538 . 0 0 "[ . 1 . 2]" 1
540 2 12 LEU HA 2 12 LEU HG 1.800 . 4.500 3.556 2.335 3.709 . 0 0 "[ . 1 . 2]" 1
541 2 12 LEU HA 2 13 PRO QD 1.800 . 4.000 2.214 2.156 2.291 . 0 0 "[ . 1 . 2]" 1
542 2 12 LEU QD 2 13 PRO QD 1.800 . 5.500 2.261 1.795 3.157 0.005 12 0 "[ . 1 . 2]" 1
543 2 12 LEU MD1 2 13 PRO QD 1.800 . 5.500 2.529 1.886 3.827 . 0 0 "[ . 1 . 2]" 1
544 2 12 LEU MD2 2 13 PRO QD 1.800 . 4.500 3.517 1.800 3.959 0.000 12 0 "[ . 1 . 2]" 1
545 2 12 LEU QB 2 13 PRO QD 1.800 . 4.500 1.831 1.793 1.929 0.007 8 0 "[ . 1 . 2]" 1
546 2 12 LEU MD2 2 16 LEU MD1 1.800 . 5.500 5.057 3.708 5.507 0.007 5 0 "[ . 1 . 2]" 1
547 2 12 LEU MD1 2 17 SER HA 1.800 . 5.500 3.587 2.645 5.348 . 0 0 "[ . 1 . 2]" 1
548 2 13 PRO QD 2 16 LEU QD 1.800 . 6.000 3.749 2.490 4.531 . 0 0 "[ . 1 . 2]" 1
549 2 13 PRO QD 2 16 LEU MD1 1.800 . 5.000 3.940 3.444 4.688 . 0 0 "[ . 1 . 2]" 1
550 2 13 PRO QD 2 16 LEU MD2 1.800 . 6.000 5.560 2.526 6.004 0.004 20 0 "[ . 1 . 2]" 1
551 2 13 PRO QG 2 16 LEU MD1 1.800 . 6.000 2.977 2.187 4.270 . 0 0 "[ . 1 . 2]" 1
552 2 13 PRO HA 2 16 LEU QB 1.800 . 5.500 5.065 4.570 5.516 0.016 19 0 "[ . 1 . 2]" 1
553 2 13 PRO HA 2 14 GLU H 1.800 . 3.000 2.275 2.258 2.299 . 0 0 "[ . 1 . 2]" 1
554 2 13 PRO QB 2 14 GLU H 1.800 . 5.000 3.788 3.768 3.810 . 0 0 "[ . 1 . 2]" 1
555 2 14 GLU H 2 14 GLU QB 1.800 . 3.500 2.308 2.226 2.528 . 0 0 "[ . 1 . 2]" 1
556 2 14 GLU H 2 14 GLU QG 1.800 . 5.000 3.330 2.225 4.016 . 0 0 "[ . 1 . 2]" 1
557 2 14 GLU QG 2 18 ARG QD 1.800 . 6.000 4.673 3.444 5.821 . 0 0 "[ . 1 . 2]" 1
558 2 14 GLU HA 2 17 SER QB 1.800 . 4.500 2.308 1.962 2.957 . 0 0 "[ . 1 . 2]" 1
559 2 14 GLU HA 2 15 SER H 1.800 . 4.000 3.476 3.457 3.487 . 0 0 "[ . 1 . 2]" 1
560 2 14 GLU QB 2 15 SER H 1.800 . 4.500 3.158 2.822 3.611 . 0 0 "[ . 1 . 2]" 1
561 2 15 SER H 2 16 LEU H 1.800 . 4.000 2.703 2.575 2.789 . 0 0 "[ . 1 . 2]" 1
562 2 15 SER HA 2 18 ARG QB 1.800 . 4.000 3.784 3.438 4.006 0.006 2 0 "[ . 1 . 2]" 1
563 2 15 SER HA 2 18 ARG QG 1.800 . 5.500 4.422 2.678 5.501 0.001 9 0 "[ . 1 . 2]" 1
564 2 15 SER HA 2 18 ARG QD 1.800 . 5.500 3.825 2.192 5.497 . 0 0 "[ . 1 . 2]" 1
565 2 13 PRO HA 2 16 LEU H 1.800 . 5.500 4.364 4.158 4.551 . 0 0 "[ . 1 . 2]" 1
566 2 13 PRO QB 2 16 LEU H 1.800 . 5.000 2.698 2.222 2.894 . 0 0 "[ . 1 . 2]" 1
567 2 13 PRO QG 2 16 LEU H 1.800 . 6.000 4.687 3.844 4.907 . 0 0 "[ . 1 . 2]" 1
568 2 13 PRO QD 2 16 LEU H 1.800 . 6.000 5.296 5.070 5.472 . 0 0 "[ . 1 . 2]" 1
569 2 15 SER HA 2 16 LEU H 1.800 . 4.000 3.535 3.497 3.565 . 0 0 "[ . 1 . 2]" 1
570 2 15 SER QB 2 16 LEU H 1.800 . 4.500 2.756 2.352 3.447 . 0 0 "[ . 1 . 2]" 1
571 2 16 LEU H 2 16 LEU HA 1.800 . 3.000 2.880 2.872 2.885 . 0 0 "[ . 1 . 2]" 1
572 2 16 LEU H 2 16 LEU QB 1.800 . 3.000 2.281 2.081 2.609 . 0 0 "[ . 1 . 2]" 1
573 2 16 LEU H 2 16 LEU HG 1.800 . 4.000 3.064 2.017 4.008 0.008 11 0 "[ . 1 . 2]" 1
574 2 16 LEU H 2 16 LEU QD 1.800 . 6.000 3.258 2.288 3.757 . 0 0 "[ . 1 . 2]" 1
575 2 16 LEU H 2 17 SER H 1.800 . 3.000 2.401 2.381 2.445 . 0 0 "[ . 1 . 2]" 1
576 2 16 LEU HA 2 19 LYS QB 1.800 . 4.000 3.700 3.504 4.005 0.005 17 0 "[ . 1 . 2]" 1
577 2 16 LEU HA 2 19 LYS QG 1.800 . 5.000 4.193 2.206 4.979 . 0 0 "[ . 1 . 2]" 1
578 2 16 LEU HA 2 19 LYS QE 1.800 . 5.500 4.081 2.249 5.500 0.000 9 0 "[ . 1 . 2]" 1
579 2 16 LEU QD 2 20 ILE MD 1.800 . 5.500 2.818 1.856 3.855 . 0 0 "[ . 1 . 2]" 1
580 2 16 LEU MD1 2 20 ILE MD 1.800 . 4.500 3.343 1.859 4.132 . 0 0 "[ . 1 . 2]" 1
581 2 16 LEU MD2 2 20 ILE MD 1.800 . 5.500 3.385 1.945 4.868 . 0 0 "[ . 1 . 2]" 1
582 2 14 GLU HA 2 17 SER H 1.800 . 4.000 3.167 3.013 3.605 . 0 0 "[ . 1 . 2]" 1
583 2 16 LEU HA 2 17 SER H 1.800 . 4.500 3.500 3.472 3.536 . 0 0 "[ . 1 . 2]" 1
584 2 16 LEU QB 2 17 SER H 1.800 . 4.000 2.850 2.529 3.531 . 0 0 "[ . 1 . 2]" 1
585 2 16 LEU QD 2 17 SER H 1.800 . 6.000 3.944 2.818 4.275 . 0 0 "[ . 1 . 2]" 1
586 2 17 SER H 2 18 ARG H 1.800 . 3.000 2.759 2.707 2.822 . 0 0 "[ . 1 . 2]" 1
587 2 17 SER HA 2 20 ILE HB 1.800 . 4.000 2.355 2.129 2.848 . 0 0 "[ . 1 . 2]" 1
588 2 17 SER HA 2 20 ILE MD 1.800 . 5.500 2.240 1.913 2.816 . 0 0 "[ . 1 . 2]" 1
589 2 17 SER QB 2 20 ILE MD 1.800 . 5.500 3.741 3.154 4.374 . 0 0 "[ . 1 . 2]" 1
590 2 17 SER HA 2 20 ILE MG 1.800 . 6.000 3.795 3.626 4.256 . 0 0 "[ . 1 . 2]" 1
591 2 12 LEU MD2 2 17 SER H 1.800 . 5.500 5.058 4.476 5.507 0.007 12 0 "[ . 1 . 2]" 1
592 2 16 LEU H 2 18 ARG H 1.800 . 5.000 4.094 3.927 4.254 . 0 0 "[ . 1 . 2]" 1
593 2 18 ARG H 2 19 LYS H 1.800 . 3.000 2.739 2.668 2.780 . 0 0 "[ . 1 . 2]" 1
594 2 18 ARG H 2 18 ARG HA 1.800 . 3.000 2.797 2.787 2.822 . 0 0 "[ . 1 . 2]" 1
595 2 18 ARG H 2 18 ARG QB 1.800 . 3.000 2.142 2.038 2.456 . 0 0 "[ . 1 . 2]" 1
596 2 18 ARG H 2 18 ARG QG 1.800 . 4.500 3.230 2.371 3.911 . 0 0 "[ . 1 . 2]" 1
597 2 18 ARG H 2 18 ARG QD 1.800 . 6.000 3.787 2.518 4.609 . 0 0 "[ . 1 . 2]" 1
598 2 16 LEU HA 2 19 LYS H 1.800 . 3.500 3.466 3.298 3.538 0.038 12 0 "[ . 1 . 2]" 1
599 2 19 LYS H 2 20 ILE H 1.800 . 3.500 2.434 2.392 2.624 . 0 0 "[ . 1 . 2]" 1
600 2 19 LYS H 2 21 GLY H 1.800 . 4.500 4.096 3.775 4.490 . 0 0 "[ . 1 . 2]" 1
601 2 19 LYS H 2 19 LYS HA 1.800 . 3.000 2.875 2.825 2.883 . 0 0 "[ . 1 . 2]" 1
602 2 19 LYS H 2 19 LYS QB 1.800 . 3.000 2.384 2.204 2.653 . 0 0 "[ . 1 . 2]" 1
603 2 19 LYS H 2 19 LYS QG 1.800 . 4.000 2.768 1.971 3.543 . 0 0 "[ . 1 . 2]" 1
604 2 19 LYS H 2 19 LYS QD 1.800 . 4.500 2.983 1.929 4.219 . 0 0 "[ . 1 . 2]" 1
605 2 19 LYS H 2 19 LYS QE 1.800 . 5.500 3.924 2.315 5.349 . 0 0 "[ . 1 . 2]" 1
606 2 16 LEU QD 2 19 LYS H 1.800 . 6.000 4.408 3.407 5.126 . 0 0 "[ . 1 . 2]" 1
607 2 19 LYS HA 2 22 THR HB 1.800 . 4.000 4.010 3.996 4.019 0.019 1 0 "[ . 1 . 2]" 1
608 2 16 LEU HA 2 19 LYS QD 1.800 . 4.500 3.298 2.389 4.506 0.006 6 0 "[ . 1 . 2]" 1
609 2 20 ILE H 2 21 GLY H 1.800 . 3.000 2.583 2.445 2.746 . 0 0 "[ . 1 . 2]" 1
610 2 20 ILE H 2 20 ILE HB 1.800 . 3.000 2.612 2.573 2.651 . 0 0 "[ . 1 . 2]" 1
611 2 20 ILE H 2 20 ILE MD 1.800 . 5.500 3.400 3.165 3.626 . 0 0 "[ . 1 . 2]" 1
612 2 20 ILE H 2 20 ILE QG 1.800 . 4.500 1.987 1.939 2.113 . 0 0 "[ . 1 . 2]" 1
613 2 20 ILE H 2 20 ILE MG 1.800 . 5.500 3.774 3.767 3.785 . 0 0 "[ . 1 . 2]" 1
614 2 17 SER HA 2 20 ILE H 1.800 . 4.000 3.177 3.082 3.318 . 0 0 "[ . 1 . 2]" 1
615 2 18 ARG H 2 20 ILE H 1.800 . 5.000 3.947 3.773 4.178 . 0 0 "[ . 1 . 2]" 1
616 2 19 LYS HA 2 20 ILE H 1.800 . 4.500 3.497 3.405 3.545 . 0 0 "[ . 1 . 2]" 1
617 2 19 LYS QB 2 20 ILE H 1.800 . 4.500 2.851 2.462 3.512 . 0 0 "[ . 1 . 2]" 1
618 2 20 ILE H 2 22 THR H 1.800 . 5.000 4.159 3.818 4.487 . 0 0 "[ . 1 . 2]" 1
619 2 16 LEU QD 2 20 ILE H 1.800 . 5.500 4.472 3.171 5.505 0.005 3 0 "[ . 1 . 2]" 1
620 2 20 ILE HA 2 23 VAL HB 1.800 . 5.000 3.429 2.845 4.196 . 0 0 "[ . 1 . 2]" 1
621 2 20 ILE MG 2 24 VAL QG 1.800 . 5.000 1.948 1.785 2.692 0.015 2 0 "[ . 1 . 2]" 1
622 2 20 ILE MG 2 31 LEU QD 1.800 . 5.500 2.987 2.476 4.085 . 0 0 "[ . 1 . 2]" 1
623 2 20 ILE MD 2 31 LEU QD 1.800 . 6.000 4.557 4.045 5.392 . 0 0 "[ . 1 . 2]" 1
624 2 9 LEU MD2 2 20 ILE H 1.800 . 6.000 4.672 3.816 5.611 . 0 0 "[ . 1 . 2]" 1
625 2 8 PHE QD 2 20 ILE MG 1.800 . 6.000 5.066 4.342 5.561 . 0 0 "[ . 1 . 2]" 1
626 2 8 PHE QD 2 20 ILE MD 1.800 . 5.500 5.390 4.708 5.513 0.013 15 0 "[ . 1 . 2]" 1
627 2 18 ARG HA 2 21 GLY H 1.800 . 4.500 3.843 3.415 4.091 . 0 0 "[ . 1 . 2]" 1
628 2 19 LYS HA 2 21 GLY H 1.800 . 5.000 4.410 3.846 4.750 . 0 0 "[ . 1 . 2]" 1
629 2 20 ILE HA 2 21 GLY H 1.800 . 4.500 3.529 3.450 3.566 . 0 0 "[ . 1 . 2]" 1
630 2 20 ILE HB 2 21 GLY H 1.800 . 4.000 2.627 2.379 3.085 . 0 0 "[ . 1 . 2]" 1
631 2 20 ILE MD 2 21 GLY H 1.800 . 6.000 4.423 4.110 4.771 . 0 0 "[ . 1 . 2]" 1
632 2 20 ILE MG 2 21 GLY H 1.800 . 5.500 3.616 3.359 3.884 . 0 0 "[ . 1 . 2]" 1
633 2 21 GLY H 2 22 THR H 1.800 . 3.000 2.763 2.595 2.992 . 0 0 "[ . 1 . 2]" 1
634 2 21 GLY H 2 22 THR MG 1.800 . 5.000 4.340 3.893 5.007 0.007 20 0 "[ . 1 . 2]" 1
635 2 21 GLY H 2 24 VAL MG2 1.800 . 7.000 3.899 3.478 4.414 . 0 0 "[ . 1 . 2]" 1
636 2 21 GLY QA 2 24 VAL HB 1.800 . 4.000 2.826 2.450 3.207 . 0 0 "[ . 1 . 2]" 1
637 2 21 GLY QA 2 24 VAL MG1 1.800 . 5.000 4.004 3.647 4.268 . 0 0 "[ . 1 . 2]" 1
638 2 20 ILE MG 2 21 GLY QA 1.800 . 5.500 3.582 3.386 3.800 . 0 0 "[ . 1 . 2]" 1
639 2 9 LEU MD2 2 21 GLY H 1.800 . 5.500 3.613 2.298 4.838 . 0 0 "[ . 1 . 2]" 1
640 2 19 LYS HA 2 22 THR H 1.800 . 4.500 3.679 3.548 3.850 . 0 0 "[ . 1 . 2]" 1
641 2 20 ILE HA 2 22 THR H 1.800 . 5.000 4.176 3.882 4.562 . 0 0 "[ . 1 . 2]" 1
642 2 22 THR H 2 23 VAL H 1.800 . 3.000 2.533 2.402 2.687 . 0 0 "[ . 1 . 2]" 1
643 2 21 GLY QA 2 22 THR H 1.800 . 4.000 2.765 2.640 2.870 . 0 0 "[ . 1 . 2]" 1
644 2 22 THR H 2 22 THR HA 1.800 . 3.000 2.847 2.795 2.879 . 0 0 "[ . 1 . 2]" 1
645 2 22 THR H 2 22 THR HB 1.800 . 3.500 2.711 2.346 3.422 . 0 0 "[ . 1 . 2]" 1
646 2 22 THR H 2 22 THR MG 1.800 . 4.300 2.482 2.007 3.175 . 0 0 "[ . 1 . 2]" 1
647 2 22 THR HA 2 25 ARG QB 1.800 . 4.000 3.209 2.833 3.763 . 0 0 "[ . 1 . 2]" 1
648 2 22 THR HA 2 25 ARG QD 1.800 . 5.000 3.139 2.345 3.678 . 0 0 "[ . 1 . 2]" 1
649 2 22 THR HB 2 25 ARG QB 1.800 . 5.500 5.321 5.010 5.511 0.011 1 0 "[ . 1 . 2]" 1
650 2 22 THR HB 2 25 ARG QD 1.800 . 5.500 5.135 4.411 5.509 0.009 17 0 "[ . 1 . 2]" 1
651 2 22 THR MG 2 25 ARG QD 1.800 . 6.000 5.109 3.485 5.728 . 0 0 "[ . 1 . 2]" 1
652 2 19 LYS QB 2 22 THR MG 1.800 . 6.000 3.817 3.274 5.191 . 0 0 "[ . 1 . 2]" 1
653 2 23 VAL H 2 24 VAL H 1.800 . 3.000 2.451 2.413 2.554 . 0 0 "[ . 1 . 2]" 1
654 2 20 ILE HA 2 23 VAL H 1.800 . 4.500 3.393 3.265 3.525 . 0 0 "[ . 1 . 2]" 1
655 2 20 ILE MG 2 23 VAL H 1.800 . 6.000 4.348 4.154 4.523 . 0 0 "[ . 1 . 2]" 1
656 2 21 GLY H 2 23 VAL H 1.800 . 5.000 4.220 4.049 4.439 . 0 0 "[ . 1 . 2]" 1
657 2 22 THR HA 2 23 VAL H 1.800 . 4.000 3.509 3.482 3.540 . 0 0 "[ . 1 . 2]" 1
658 2 22 THR HB 2 23 VAL H 1.800 . 4.500 3.818 3.155 4.030 . 0 0 "[ . 1 . 2]" 1
659 2 22 THR MG 2 23 VAL H 1.800 . 5.500 2.428 1.881 4.269 . 0 0 "[ . 1 . 2]" 1
660 2 23 VAL H 2 23 VAL HA 1.800 . 3.000 2.881 2.861 2.886 . 0 0 "[ . 1 . 2]" 1
661 2 23 VAL H 2 23 VAL HB 1.800 . 3.000 2.636 2.586 2.677 . 0 0 "[ . 1 . 2]" 1
662 2 23 VAL H 2 23 VAL QG 1.800 . 4.000 2.104 1.949 2.287 . 0 0 "[ . 1 . 2]" 1
663 2 23 VAL H 2 25 ARG H 1.800 . 4.800 3.984 3.828 4.204 . 0 0 "[ . 1 . 2]" 1
664 2 23 VAL HA 2 26 VAL HB 1.800 . 4.000 4.005 3.935 4.026 0.026 11 0 "[ . 1 . 2]" 1
665 2 20 ILE HA 2 23 VAL QG 1.800 . 5.500 2.378 1.842 3.005 . 0 0 "[ . 1 . 2]" 1
666 2 20 ILE MG 2 23 VAL QG 1.800 . 6.000 3.206 2.254 4.107 . 0 0 "[ . 1 . 2]" 1
667 2 20 ILE MG 2 24 VAL H 1.800 . 6.000 3.568 3.281 4.203 . 0 0 "[ . 1 . 2]" 1
668 2 22 THR HA 2 24 VAL H 1.800 . 5.000 4.582 4.320 4.762 . 0 0 "[ . 1 . 2]" 1
669 2 23 VAL HA 2 24 VAL H 1.800 . 4.300 3.531 3.491 3.553 . 0 0 "[ . 1 . 2]" 1
670 2 23 VAL HB 2 24 VAL H 1.800 . 4.000 3.163 2.467 3.954 . 0 0 "[ . 1 . 2]" 1
671 2 23 VAL MG2 2 24 VAL H 1.800 . 5.000 3.686 3.539 3.821 . 0 0 "[ . 1 . 2]" 1
672 2 24 VAL H 2 25 ARG H 1.800 . 3.000 2.709 2.646 2.773 . 0 0 "[ . 1 . 2]" 1
673 2 21 GLY QA 2 24 VAL H 1.800 . 4.500 3.453 3.228 3.669 . 0 0 "[ . 1 . 2]" 1
674 2 24 VAL H 2 24 VAL HB 1.800 . 3.000 2.632 2.508 2.745 . 0 0 "[ . 1 . 2]" 1
675 2 24 VAL H 2 24 VAL QG 1.800 . 4.000 2.068 1.981 2.202 . 0 0 "[ . 1 . 2]" 1
676 2 24 VAL H 2 24 VAL MG1 1.800 . 4.500 3.764 3.749 3.772 . 0 0 "[ . 1 . 2]" 1
677 2 24 VAL H 2 24 VAL MG2 1.800 . 4.500 2.078 1.988 2.217 . 0 0 "[ . 1 . 2]" 1
678 2 24 VAL HA 2 27 LEU QB 1.800 . 4.000 3.747 3.178 4.012 0.012 10 0 "[ . 1 . 2]" 1
679 2 24 VAL QG 2 28 PRO HA 1.800 . 5.000 2.108 1.827 2.439 . 0 0 "[ . 1 . 2]" 1
680 2 24 VAL QG 2 28 PRO QB 1.800 . 5.000 2.929 2.391 3.391 . 0 0 "[ . 1 . 2]" 1
681 2 24 VAL QG 2 28 PRO QG 1.800 . 6.000 4.088 3.086 4.757 . 0 0 "[ . 1 . 2]" 1
682 2 20 ILE MG 2 24 VAL HA 1.800 . 6.000 4.472 4.213 5.133 . 0 0 "[ . 1 . 2]" 1
683 2 24 VAL HA 2 28 PRO HA 1.800 . 4.500 3.986 3.355 4.472 . 0 0 "[ . 1 . 2]" 1
684 2 24 VAL HA 2 25 ARG H 1.800 . 4.000 3.500 3.469 3.530 . 0 0 "[ . 1 . 2]" 1
685 2 24 VAL HB 2 25 ARG H 1.800 . 3.500 2.836 2.651 2.984 . 0 0 "[ . 1 . 2]" 1
686 2 24 VAL QG 2 25 ARG H 1.800 . 5.000 3.363 3.301 3.439 . 0 0 "[ . 1 . 2]" 1
687 2 24 VAL MG1 2 25 ARG H 1.800 . 5.500 3.708 3.542 3.789 . 0 0 "[ . 1 . 2]" 1
688 2 24 VAL MG2 2 25 ARG H 1.800 . 5.500 3.858 3.695 3.999 . 0 0 "[ . 1 . 2]" 1
689 2 25 ARG H 2 25 ARG HA 1.800 . 3.000 2.770 2.747 2.787 . 0 0 "[ . 1 . 2]" 1
690 2 25 ARG H 2 25 ARG QB 1.800 . 3.000 2.107 2.040 2.235 . 0 0 "[ . 1 . 2]" 1
691 2 25 ARG H 2 26 VAL H 1.800 . 3.000 2.737 2.692 2.793 . 0 0 "[ . 1 . 2]" 1
692 2 22 THR HA 2 25 ARG H 1.800 . 4.500 3.870 3.740 4.044 . 0 0 "[ . 1 . 2]" 1
693 2 25 ARG H 2 27 LEU H 1.800 . 5.000 4.282 3.908 4.552 . 0 0 "[ . 1 . 2]" 1
694 2 23 VAL HA 2 26 VAL H 1.800 . 4.500 3.664 3.550 3.849 . 0 0 "[ . 1 . 2]" 1
695 2 24 VAL HA 2 26 VAL H 1.800 . 5.000 3.847 3.680 4.197 . 0 0 "[ . 1 . 2]" 1
696 2 25 ARG HA 2 26 VAL H 1.800 . 4.000 3.490 3.469 3.536 . 0 0 "[ . 1 . 2]" 1
697 2 25 ARG QB 2 26 VAL H 1.800 . 4.300 2.843 2.663 2.963 . 0 0 "[ . 1 . 2]" 1
698 2 26 VAL H 2 26 VAL HA 1.800 . 3.000 2.880 2.874 2.882 . 0 0 "[ . 1 . 2]" 1
699 2 26 VAL H 2 26 VAL HB 1.800 . 3.000 2.563 2.471 2.633 . 0 0 "[ . 1 . 2]" 1
700 2 26 VAL H 2 26 VAL MG2 1.800 . 4.000 2.183 1.994 2.335 . 0 0 "[ . 1 . 2]" 1
701 2 26 VAL H 2 27 LEU H 1.800 . 3.000 2.463 2.369 2.538 . 0 0 "[ . 1 . 2]" 1
702 2 26 VAL H 2 27 LEU QD 1.800 . 6.000 4.662 4.154 5.567 . 0 0 "[ . 1 . 2]" 1
703 2 23 VAL HA 2 26 VAL QG 1.800 . 5.500 2.949 2.462 3.322 . 0 0 "[ . 1 . 2]" 1
704 2 25 ARG QD 2 26 VAL QG 1.800 . 6.000 4.744 4.028 5.346 . 0 0 "[ . 1 . 2]" 1
705 2 24 VAL HA 2 27 LEU H 1.800 . 4.000 3.073 2.847 3.242 . 0 0 "[ . 1 . 2]" 1
706 2 26 VAL HA 2 27 LEU H 1.800 . 4.000 3.535 3.468 3.562 . 0 0 "[ . 1 . 2]" 1
707 2 26 VAL HB 2 27 LEU H 1.800 . 3.000 2.599 2.384 2.960 . 0 0 "[ . 1 . 2]" 1
708 2 27 LEU H 2 27 LEU QB 1.800 . 4.000 2.436 2.289 2.607 . 0 0 "[ . 1 . 2]" 1
709 2 27 LEU H 2 27 LEU HG 1.800 . 4.500 4.498 4.160 4.613 0.113 11 0 "[ . 1 . 2]" 1
710 2 27 LEU HA 2 30 SER QB 1.800 . 4.500 3.707 3.487 3.879 . 0 0 "[ . 1 . 2]" 1
711 2 27 LEU HA 2 28 PRO QD 1.800 . 4.000 2.189 2.065 2.403 . 0 0 "[ . 1 . 2]" 1
712 2 27 LEU QB 2 28 PRO QD 1.800 . 5.500 3.832 3.808 3.856 . 0 0 "[ . 1 . 2]" 1
713 2 27 LEU H 2 28 PRO QD 1.800 . 5.500 2.989 2.522 3.288 . 0 0 "[ . 1 . 2]" 1
714 2 27 LEU HA 2 28 PRO QG 1.800 . 4.500 4.065 3.897 4.283 . 0 0 "[ . 1 . 2]" 1
715 2 27 LEU QB 2 30 SER QB 1.800 . 5.500 1.981 1.795 3.565 0.005 9 0 "[ . 1 . 2]" 1
716 2 27 LEU QD 2 34 PHE HZ 1.800 . 6.000 4.975 3.362 6.005 0.005 1 0 "[ . 1 . 2]" 1
717 2 29 SER H 2 30 SER H 1.800 . 5.000 2.280 1.998 2.639 . 0 0 "[ . 1 . 2]" 1
718 2 27 LEU HA 2 30 SER H 1.800 . 3.500 3.531 3.514 3.557 0.057 6 0 "[ . 1 . 2]" 1
719 2 27 LEU QB 2 30 SER H 1.800 . 4.500 3.034 2.534 4.344 . 0 0 "[ . 1 . 2]" 1
720 2 27 LEU MD2 2 30 SER H 1.800 . 5.000 3.963 1.786 4.829 0.014 16 0 "[ . 1 . 2]" 1
721 2 27 LEU HG 2 30 SER H 1.800 . 4.500 3.838 2.435 4.581 0.081 16 0 "[ . 1 . 2]" 1
722 2 30 SER H 2 30 SER HA 1.800 . 3.000 2.824 2.788 2.863 . 0 0 "[ . 1 . 2]" 1
723 2 30 SER H 2 30 SER QB 1.800 . 3.500 2.222 2.160 2.280 . 0 0 "[ . 1 . 2]" 1
724 2 30 SER H 2 31 LEU H 1.800 . 3.000 2.652 2.484 2.821 . 0 0 "[ . 1 . 2]" 1
725 2 30 SER HA 2 33 ILE HB 1.800 . 4.000 3.889 3.616 4.003 0.003 6 0 "[ . 1 . 2]" 1
726 2 30 SER HA 2 34 PHE QE 1.800 . 5.000 4.690 4.072 5.005 0.005 8 0 "[ . 1 . 2]" 1
727 2 30 SER HA 2 33 ILE MD 1.800 . 4.500 2.231 1.834 3.464 . 0 0 "[ . 1 . 2]" 1
728 2 30 SER QB 2 33 ILE MD 1.800 . 6.000 3.713 3.153 4.911 . 0 0 "[ . 1 . 2]" 1
729 2 27 LEU HA 2 31 LEU H 1.800 . 5.000 5.000 4.868 5.036 0.036 9 0 "[ . 1 . 2]" 1
730 2 28 PRO HA 2 31 LEU H 1.800 . 5.000 3.980 3.476 4.227 . 0 0 "[ . 1 . 2]" 1
731 2 29 SER HA 2 31 LEU H 1.800 . 5.000 4.368 4.124 4.609 . 0 0 "[ . 1 . 2]" 1
732 2 30 SER HA 2 31 LEU H 1.800 . 4.500 3.529 3.490 3.557 . 0 0 "[ . 1 . 2]" 1
733 2 30 SER QB 2 31 LEU H 1.800 . 4.500 2.587 2.347 2.846 . 0 0 "[ . 1 . 2]" 1
734 2 30 SER HG 2 31 LEU H 1.800 . 4.500 4.505 4.410 4.526 0.026 3 0 "[ . 1 . 2]" 1
735 2 31 LEU H 2 32 GLU H 1.800 . 3.500 2.758 2.643 2.918 . 0 0 "[ . 1 . 2]" 1
736 2 31 LEU H 2 31 LEU HA 1.800 . 3.000 2.767 2.719 2.806 . 0 0 "[ . 1 . 2]" 1
737 2 31 LEU H 2 31 LEU QB 1.800 . 3.000 2.079 2.037 2.183 . 0 0 "[ . 1 . 2]" 1
738 2 31 LEU H 2 31 LEU HG 1.800 . 4.000 3.995 3.806 4.047 0.047 20 0 "[ . 1 . 2]" 1
739 2 24 VAL HB 2 31 LEU QD 1.800 . 5.500 3.742 3.269 4.888 . 0 0 "[ . 1 . 2]" 1
740 2 8 PHE QD 2 31 LEU QD 1.800 . 6.000 3.354 2.450 3.926 . 0 0 "[ . 1 . 2]" 1
741 2 8 PHE QD 2 31 LEU MD1 1.800 . 5.500 4.051 2.751 5.506 0.006 10 0 "[ . 1 . 2]" 1
742 2 8 PHE QD 2 31 LEU MD2 1.800 . 4.500 3.764 2.476 4.503 0.003 17 0 "[ . 1 . 2]" 1
743 2 8 PHE QD 2 31 LEU HG 1.800 . 7.000 5.909 4.840 6.739 . 0 0 "[ . 1 . 2]" 1
744 2 31 LEU MD2 2 34 PHE QB 1.800 . 5.500 3.421 1.993 5.470 . 0 0 "[ . 1 . 2]" 1
745 2 31 LEU HA 2 32 GLU H 1.800 . 4.000 3.498 3.424 3.535 . 0 0 "[ . 1 . 2]" 1
746 2 31 LEU QB 2 32 GLU H 1.800 . 4.000 2.889 2.614 3.658 . 0 0 "[ . 1 . 2]" 1
747 2 32 GLU H 2 32 GLU HA 1.800 . 3.000 2.791 2.769 2.849 . 0 0 "[ . 1 . 2]" 1
748 2 32 GLU H 2 32 GLU QB 1.800 . 3.500 2.163 2.044 2.511 . 0 0 "[ . 1 . 2]" 1
749 2 32 GLU H 2 32 GLU QG 1.800 . 4.000 3.237 2.115 4.034 0.034 3 0 "[ . 1 . 2]" 1
750 2 32 GLU H 2 33 ILE H 1.800 . 3.500 2.711 2.500 2.844 . 0 0 "[ . 1 . 2]" 1
751 2 32 GLU HA 2 35 GLU QB 1.800 . 4.000 2.603 2.388 3.656 . 0 0 "[ . 1 . 2]" 1
752 2 31 LEU QD 2 32 GLU H 1.800 . 5.500 3.687 1.917 4.230 . 0 0 "[ . 1 . 2]" 1
753 2 8 PHE QD 2 32 GLU HA 1.800 . 7.000 6.748 6.002 7.005 0.005 3 0 "[ . 1 . 2]" 1
754 2 30 SER HA 2 33 ILE H 1.800 . 4.500 3.511 3.380 3.627 . 0 0 "[ . 1 . 2]" 1
755 2 32 GLU HA 2 33 ILE H 1.800 . 4.000 3.512 3.471 3.557 . 0 0 "[ . 1 . 2]" 1
756 2 32 GLU QB 2 33 ILE H 1.800 . 4.000 2.777 2.395 3.582 . 0 0 "[ . 1 . 2]" 1
757 2 33 ILE H 2 33 ILE HB 1.800 . 3.000 2.624 2.572 2.679 . 0 0 "[ . 1 . 2]" 1
758 2 33 ILE H 2 33 ILE QG 1.800 . 4.300 2.056 1.942 2.558 . 0 0 "[ . 1 . 2]" 1
759 2 33 ILE H 2 34 PHE H 1.800 . 3.000 2.590 2.406 2.815 . 0 0 "[ . 1 . 2]" 1
760 2 33 ILE HA 2 36 GLU QB 1.800 . 4.000 3.515 3.083 3.949 . 0 0 "[ . 1 . 2]" 1
761 2 33 ILE HB 2 34 PHE QD 1.800 . 6.000 3.893 3.270 4.235 . 0 0 "[ . 1 . 2]" 1
762 2 33 ILE HB 2 34 PHE QE 1.800 . 5.000 4.287 3.889 4.647 . 0 0 "[ . 1 . 2]" 1
763 2 33 ILE HB 2 34 PHE HZ 1.800 . 5.500 5.190 4.676 5.478 . 0 0 "[ . 1 . 2]" 1
764 2 33 ILE MG 2 34 PHE QD 1.800 . 6.000 4.060 3.543 4.467 . 0 0 "[ . 1 . 2]" 1
765 2 33 ILE MG 2 34 PHE QE 1.800 . 5.000 4.357 3.665 4.722 . 0 0 "[ . 1 . 2]" 1
766 2 33 ILE MG 2 34 PHE HZ 1.800 . 5.500 5.331 4.929 5.506 0.006 6 0 "[ . 1 . 2]" 1
767 2 30 SER HA 2 34 PHE H 1.800 . 5.500 4.974 4.559 5.172 . 0 0 "[ . 1 . 2]" 1
768 2 31 LEU HA 2 34 PHE H 1.800 . 4.500 3.266 3.056 3.496 . 0 0 "[ . 1 . 2]" 1
769 2 32 GLU HA 2 34 PHE H 1.800 . 5.000 4.483 4.307 4.752 . 0 0 "[ . 1 . 2]" 1
770 2 33 ILE HA 2 34 PHE H 1.800 . 4.500 3.535 3.505 3.562 . 0 0 "[ . 1 . 2]" 1
771 2 33 ILE HB 2 34 PHE H 1.800 . 4.000 2.587 2.370 2.778 . 0 0 "[ . 1 . 2]" 1
772 2 33 ILE QG 2 34 PHE H 1.800 . 4.500 3.943 3.700 4.257 . 0 0 "[ . 1 . 2]" 1
773 2 33 ILE MG 2 34 PHE H 1.800 . 4.500 3.606 3.415 3.762 . 0 0 "[ . 1 . 2]" 1
774 2 34 PHE H 2 35 GLU H 1.800 . 3.500 2.522 2.409 2.677 . 0 0 "[ . 1 . 2]" 1
775 2 34 PHE HA 2 37 LEU QB 1.800 . 4.000 2.324 1.911 3.922 . 0 0 "[ . 1 . 2]" 1
776 2 34 PHE H 2 37 LEU MD1 1.800 . 5.000 4.941 4.342 5.024 0.024 13 0 "[ . 1 . 2]" 1
777 2 34 PHE H 2 34 PHE QD 1.800 . 4.000 2.893 2.155 3.223 . 0 0 "[ . 1 . 2]" 1
778 2 34 PHE H 2 34 PHE QE 1.800 . 5.000 4.417 4.184 4.658 . 0 0 "[ . 1 . 2]" 1
779 2 31 LEU QD 2 34 PHE H 1.800 . 6.000 3.881 3.432 5.152 . 0 0 "[ . 1 . 2]" 1
780 2 33 ILE MG 2 34 PHE HA 1.800 . 5.500 3.695 3.523 3.821 . 0 0 "[ . 1 . 2]" 1
781 2 34 PHE HA 2 37 LEU MD1 1.800 . 4.500 2.769 2.456 2.928 . 0 0 "[ . 1 . 2]" 1
782 2 34 PHE QB 2 38 TYR QD 1.800 . 5.500 4.244 3.625 5.138 . 0 0 "[ . 1 . 2]" 1
783 2 34 PHE QB 2 37 LEU MD1 1.800 . 5.000 3.824 2.844 4.263 . 0 0 "[ . 1 . 2]" 1
784 2 32 GLU HA 2 35 GLU H 1.800 . 4.500 3.484 3.316 3.780 . 0 0 "[ . 1 . 2]" 1
785 2 33 ILE H 2 35 GLU H 1.800 . 5.000 3.906 3.798 4.045 . 0 0 "[ . 1 . 2]" 1
786 2 34 PHE HA 2 35 GLU H 1.800 . 4.000 3.496 3.473 3.545 . 0 0 "[ . 1 . 2]" 1
787 2 34 PHE QB 2 35 GLU H 1.800 . 4.000 2.779 2.535 2.884 . 0 0 "[ . 1 . 2]" 1
788 2 35 GLU H 2 35 GLU QB 1.800 . 3.500 2.211 2.044 2.447 . 0 0 "[ . 1 . 2]" 1
789 2 35 GLU H 2 36 GLU H 1.800 . 3.500 2.746 2.633 2.823 . 0 0 "[ . 1 . 2]" 1
790 2 32 GLU HA 2 35 GLU QG 1.800 . 5.000 3.896 2.111 4.638 . 0 0 "[ . 1 . 2]" 1
791 2 35 GLU HA 2 38 TYR QB 1.800 . 4.000 3.857 2.295 4.030 0.030 11 0 "[ . 1 . 2]" 1
792 2 8 PHE QD 2 35 GLU HA 1.800 . 6.000 5.307 4.339 6.007 0.007 7 0 "[ . 1 . 2]" 1
793 2 8 PHE QB 2 35 GLU QG 1.800 . 7.000 4.096 2.713 5.308 . 0 0 "[ . 1 . 2]" 1
794 2 8 PHE QD 2 35 GLU QG 1.800 . 7.000 3.514 2.196 4.736 . 0 0 "[ . 1 . 2]" 1
795 2 35 GLU H 2 38 TYR QD 1.800 . 5.000 4.397 4.086 5.007 0.007 12 0 "[ . 1 . 2]" 1
796 2 35 GLU HA 2 38 TYR QD 1.800 . 4.000 2.063 1.906 3.243 . 0 0 "[ . 1 . 2]" 1
797 2 32 GLU HA 2 36 GLU H 1.800 . 5.000 4.500 3.975 4.814 . 0 0 "[ . 1 . 2]" 1
798 2 33 ILE HA 2 36 GLU H 1.800 . 4.500 3.792 3.510 3.937 . 0 0 "[ . 1 . 2]" 1
799 2 35 GLU HA 2 36 GLU H 1.800 . 4.500 3.542 3.485 3.560 . 0 0 "[ . 1 . 2]" 1
800 2 35 GLU QB 2 36 GLU H 1.800 . 3.500 2.579 2.377 3.386 . 0 0 "[ . 1 . 2]" 1
801 2 35 GLU QG 2 36 GLU H 1.800 . 5.000 3.944 2.032 4.473 . 0 0 "[ . 1 . 2]" 1
802 2 36 GLU H 2 37 LEU H 1.800 . 3.000 2.458 2.359 2.691 . 0 0 "[ . 1 . 2]" 1
803 2 36 GLU H 2 36 GLU HA 1.800 . 3.000 2.864 2.833 2.882 . 0 0 "[ . 1 . 2]" 1
804 2 36 GLU H 2 36 GLU QB 1.800 . 3.000 2.168 2.049 2.600 . 0 0 "[ . 1 . 2]" 1
805 2 36 GLU H 2 36 GLU QG 1.800 . 4.000 3.545 2.015 4.004 0.004 18 0 "[ . 1 . 2]" 1
806 2 36 GLU HA 2 39 LYS QB 1.800 . 4.000 2.664 1.979 4.003 0.003 12 0 "[ . 1 . 2]" 1
807 2 34 PHE HA 2 37 LEU H 1.800 . 4.500 3.170 2.991 3.445 . 0 0 "[ . 1 . 2]" 1
808 2 36 GLU HA 2 37 LEU H 1.800 . 4.500 3.463 3.401 3.562 . 0 0 "[ . 1 . 2]" 1
809 2 36 GLU QB 2 37 LEU H 1.800 . 4.000 2.932 2.407 3.179 . 0 0 "[ . 1 . 2]" 1
810 2 37 LEU H 2 37 LEU QB 1.800 . 3.500 2.195 2.035 2.614 . 0 0 "[ . 1 . 2]" 1
811 2 37 LEU H 2 37 LEU MD2 1.800 . 5.500 4.120 3.206 4.312 . 0 0 "[ . 1 . 2]" 1
812 2 37 LEU H 2 38 TYR H 1.800 . 3.000 2.670 2.525 2.742 . 0 0 "[ . 1 . 2]" 1
813 2 37 LEU HA 2 40 TYR QB 1.800 . 5.000 2.981 1.961 4.890 . 0 0 "[ . 1 . 2]" 1
814 2 34 PHE QE 2 37 LEU MD1 1.800 . 5.000 3.754 3.120 4.845 . 0 0 "[ . 1 . 2]" 1
815 2 34 PHE QD 2 37 LEU MD1 1.800 . 4.500 2.529 1.974 3.140 . 0 0 "[ . 1 . 2]" 1
816 2 34 PHE QD 2 37 LEU MD2 1.800 . 6.000 4.428 2.091 5.102 . 0 0 "[ . 1 . 2]" 1
817 2 33 ILE MG 2 37 LEU H 1.800 . 5.000 4.430 4.158 4.660 . 0 0 "[ . 1 . 2]" 1
818 2 34 PHE HA 2 38 TYR H 1.800 . 4.000 3.957 3.783 4.020 0.020 8 0 "[ . 1 . 2]" 1
819 2 35 GLU HA 2 38 TYR H 1.800 . 5.000 3.845 3.475 3.984 . 0 0 "[ . 1 . 2]" 1
820 2 37 LEU HA 2 38 TYR H 1.800 . 4.000 3.555 3.462 3.568 . 0 0 "[ . 1 . 2]" 1
821 2 37 LEU QB 2 38 TYR H 1.800 . 4.500 2.510 2.342 3.593 . 0 0 "[ . 1 . 2]" 1
822 2 37 LEU HG 2 38 TYR H 1.800 . 5.000 4.646 2.427 4.987 . 0 0 "[ . 1 . 2]" 1
823 2 37 LEU QD 2 38 TYR H 1.800 . 5.500 3.221 2.180 3.884 . 0 0 "[ . 1 . 2]" 1
824 2 37 LEU MD1 2 38 TYR H 1.800 . 5.500 4.108 2.190 4.565 . 0 0 "[ . 1 . 2]" 1
825 2 37 LEU MD2 2 38 TYR H 1.800 . 6.000 3.585 2.845 4.219 . 0 0 "[ . 1 . 2]" 1
826 2 38 TYR H 2 38 TYR HA 1.800 . 3.000 2.823 2.769 2.879 . 0 0 "[ . 1 . 2]" 1
827 2 38 TYR H 2 38 TYR QB 1.800 . 3.000 2.227 2.055 2.306 . 0 0 "[ . 1 . 2]" 1
828 2 38 TYR H 2 39 LYS H 1.800 . 3.000 2.619 2.421 2.870 . 0 0 "[ . 1 . 2]" 1
829 2 38 TYR HA 2 41 ALA MB 1.800 . 4.000 2.955 1.963 3.470 . 0 0 "[ . 1 . 2]" 1
830 2 37 LEU QD 2 38 TYR HA 1.800 . 4.500 3.108 2.243 4.186 . 0 0 "[ . 1 . 2]" 1
831 2 37 LEU QD 2 38 TYR QB 1.800 . 5.000 3.724 2.337 4.637 . 0 0 "[ . 1 . 2]" 1
832 2 38 TYR H 2 41 ALA MB 1.800 . 5.500 5.032 4.365 5.504 0.004 3 0 "[ . 1 . 2]" 1
833 2 36 GLU HA 2 39 LYS H 1.800 . 4.500 3.479 3.170 4.022 . 0 0 "[ . 1 . 2]" 1
834 2 38 TYR HA 2 39 LYS H 1.800 . 4.500 3.494 3.408 3.560 . 0 0 "[ . 1 . 2]" 1
835 2 38 TYR QB 2 39 LYS H 1.800 . 4.500 3.407 2.363 3.658 . 0 0 "[ . 1 . 2]" 1
836 2 38 TYR QD 2 39 LYS H 1.800 . 5.000 3.240 2.700 3.875 . 0 0 "[ . 1 . 2]" 1
837 2 39 LYS H 2 40 TYR H 1.800 . 3.500 2.530 2.383 2.803 . 0 0 "[ . 1 . 2]" 1
838 2 38 TYR QD 2 39 LYS HA 1.800 . 5.500 3.279 2.824 4.058 . 0 0 "[ . 1 . 2]" 1
839 2 38 TYR QD 2 39 LYS QG 1.800 . 6.000 4.266 2.964 5.269 . 0 0 "[ . 1 . 2]" 1
840 2 38 TYR QE 2 39 LYS QG 1.800 . 6.000 3.707 2.115 5.699 . 0 0 "[ . 1 . 2]" 1
841 2 38 TYR QD 2 39 LYS QD 1.800 . 5.000 4.394 3.288 5.001 0.001 19 0 "[ . 1 . 2]" 1
842 2 38 TYR QE 2 39 LYS QD 1.800 . 5.500 3.444 2.009 5.085 . 0 0 "[ . 1 . 2]" 1
843 2 39 LYS HA 2 42 LEU QB 1.800 . 4.000 2.812 2.044 4.004 0.004 16 0 "[ . 1 . 2]" 1
844 2 39 LYS HA 2 42 LEU QD 1.800 . 5.500 2.303 1.924 2.982 . 0 0 "[ . 1 . 2]" 1
845 2 39 LYS HA 2 42 LEU HG 1.800 . 5.000 3.822 2.159 4.861 . 0 0 "[ . 1 . 2]" 1
846 2 39 LYS QD 2 42 LEU MD1 1.800 . 6.000 3.824 2.152 5.200 . 0 0 "[ . 1 . 2]" 1
847 2 40 TYR H 2 41 ALA H 1.800 . 3.500 2.675 2.427 2.816 . 0 0 "[ . 1 . 2]" 1
848 2 37 LEU HA 2 40 TYR H 1.800 . 4.500 3.543 3.141 4.098 . 0 0 "[ . 1 . 2]" 1
849 2 39 LYS HA 2 40 TYR H 1.800 . 4.500 3.511 3.485 3.568 . 0 0 "[ . 1 . 2]" 1
850 2 40 TYR H 2 40 TYR HA 1.800 . 3.000 2.825 2.789 2.875 . 0 0 "[ . 1 . 2]" 1
851 2 40 TYR H 2 40 TYR QB 1.800 . 3.500 2.267 2.216 2.490 . 0 0 "[ . 1 . 2]" 1
852 2 40 TYR HA 2 43 ASN QB 1.800 . 4.000 3.062 2.279 3.792 . 0 0 "[ . 1 . 2]" 1
853 2 40 TYR QB 2 41 ALA MB 1.800 . 6.000 4.030 3.717 4.788 . 0 0 "[ . 1 . 2]" 1
854 2 38 TYR HA 2 41 ALA H 1.800 . 4.500 3.661 3.202 4.123 . 0 0 "[ . 1 . 2]" 1
855 2 40 TYR HA 2 41 ALA H 1.800 . 4.000 3.542 3.475 3.562 . 0 0 "[ . 1 . 2]" 1
856 2 40 TYR QB 2 41 ALA H 1.800 . 4.500 2.673 2.399 3.582 . 0 0 "[ . 1 . 2]" 1
857 2 41 ALA H 2 41 ALA HA 1.800 . 3.000 2.809 2.781 2.854 . 0 0 "[ . 1 . 2]" 1
858 2 41 ALA H 2 41 ALA MB 1.800 . 3.500 2.148 2.033 2.238 . 0 0 "[ . 1 . 2]" 1
859 2 41 ALA H 2 42 LEU H 1.800 . 3.000 2.646 2.496 2.716 . 0 0 "[ . 1 . 2]" 1
860 2 41 ALA HA 2 44 GLU QB 1.800 . 4.000 3.148 2.099 3.965 . 0 0 "[ . 1 . 2]" 1
861 2 40 TYR QE 2 41 ALA MB 1.800 . 4.500 4.330 3.464 4.510 0.010 18 0 "[ . 1 . 2]" 1
862 2 40 TYR QD 2 41 ALA H 1.800 . 5.000 2.938 2.746 3.332 . 0 0 "[ . 1 . 2]" 1
863 2 40 TYR QD 2 41 ALA HA 1.800 . 6.000 2.801 2.608 3.222 . 0 0 "[ . 1 . 2]" 1
864 2 40 TYR QE 2 41 ALA HA 1.800 . 6.000 3.848 3.356 4.173 . 0 0 "[ . 1 . 2]" 1
865 2 39 LYS HA 2 42 LEU H 1.800 . 4.500 3.553 3.247 4.096 . 0 0 "[ . 1 . 2]" 1
866 2 40 TYR HA 2 42 LEU H 1.800 . 5.000 4.080 3.750 4.665 . 0 0 "[ . 1 . 2]" 1
867 2 41 ALA HA 2 42 LEU H 1.800 . 4.000 3.481 3.389 3.550 . 0 0 "[ . 1 . 2]" 1
868 2 41 ALA MB 2 42 LEU H 1.800 . 4.000 2.856 2.569 3.103 . 0 0 "[ . 1 . 2]" 1
869 2 42 LEU H 2 42 LEU QB 1.800 . 4.000 2.270 2.035 2.615 . 0 0 "[ . 1 . 2]" 1
870 2 42 LEU H 2 42 LEU QD 1.800 . 6.000 3.230 2.889 3.578 . 0 0 "[ . 1 . 2]" 1
871 2 42 LEU H 2 42 LEU MD1 1.800 . 6.000 3.496 3.053 3.910 . 0 0 "[ . 1 . 2]" 1
872 2 42 LEU H 2 42 LEU MD2 1.800 . 6.000 3.896 3.064 4.404 . 0 0 "[ . 1 . 2]" 1
873 2 42 LEU H 2 43 ASN H 1.800 . 3.500 2.566 2.398 2.781 . 0 0 "[ . 1 . 2]" 1
874 2 42 LEU HA 2 45 ASN QB 1.800 . 4.000 3.256 2.356 4.010 0.010 16 0 "[ . 1 . 2]" 1
875 2 42 LEU QD 2 45 ASN QB 1.800 . 6.000 3.933 3.201 4.846 . 0 0 "[ . 1 . 2]" 1
876 2 42 LEU HA 2 45 ASN QD 1.800 . 4.500 3.885 2.890 4.428 . 0 0 "[ . 1 . 2]" 1
877 2 42 LEU QD 2 45 ASN QD 1.800 . 6.000 4.030 2.744 5.397 . 0 0 "[ . 1 . 2]" 1
878 2 41 ALA MB 2 42 LEU HG 1.800 . 5.000 3.835 2.853 4.957 . 0 0 "[ . 1 . 2]" 1
879 2 38 TYR QB 2 42 LEU MD1 1.800 . 6.000 3.898 2.988 5.227 . 0 0 "[ . 1 . 2]" 1
880 2 38 TYR QD 2 42 LEU MD1 1.800 . 5.500 2.197 1.875 3.770 . 0 0 "[ . 1 . 2]" 1
881 2 38 TYR QE 2 42 LEU MD1 1.800 . 5.000 2.644 1.940 3.087 . 0 0 "[ . 1 . 2]" 1
882 2 38 TYR QD 2 42 LEU MD2 1.800 . 6.000 4.105 3.206 4.852 . 0 0 "[ . 1 . 2]" 1
883 2 38 TYR QE 2 42 LEU MD2 1.800 . 5.000 4.596 2.684 5.002 0.002 11 0 "[ . 1 . 2]" 1
884 2 40 TYR HA 2 43 ASN H 1.800 . 4.500 3.519 3.090 3.933 . 0 0 "[ . 1 . 2]" 1
885 2 41 ALA H 2 43 ASN H 1.800 . 5.000 4.278 3.998 4.555 . 0 0 "[ . 1 . 2]" 1
886 2 42 LEU HA 2 43 ASN H 1.800 . 4.000 3.514 3.472 3.560 . 0 0 "[ . 1 . 2]" 1
887 2 42 LEU QB 2 43 ASN H 1.800 . 4.500 2.707 2.465 2.882 . 0 0 "[ . 1 . 2]" 1
888 2 42 LEU QD 2 43 ASN H 1.800 . 6.000 4.104 3.820 4.276 . 0 0 "[ . 1 . 2]" 1
889 2 42 LEU MD1 2 43 ASN H 1.800 . 6.000 4.567 4.001 4.867 . 0 0 "[ . 1 . 2]" 1
890 2 42 LEU MD2 2 43 ASN H 1.800 . 6.000 4.689 4.212 4.891 . 0 0 "[ . 1 . 2]" 1
891 2 43 ASN H 2 43 ASN HA 1.800 . 3.000 2.839 2.783 2.880 . 0 0 "[ . 1 . 2]" 1
892 2 43 ASN H 2 43 ASN QB 1.800 . 3.000 2.170 2.077 2.293 . 0 0 "[ . 1 . 2]" 1
893 2 41 ALA HA 2 44 GLU H 1.800 . 4.500 3.440 3.090 3.896 . 0 0 "[ . 1 . 2]" 1
894 2 43 ASN HA 2 44 GLU H 1.800 . 3.500 3.495 3.447 3.537 0.037 2 0 "[ . 1 . 2]" 1
895 2 43 ASN QB 2 44 GLU H 1.800 . 4.500 2.821 2.563 3.018 . 0 0 "[ . 1 . 2]" 1
896 2 43 ASN H 2 44 GLU H 1.800 . 3.000 2.545 2.392 2.710 . 0 0 "[ . 1 . 2]" 1
897 2 44 GLU H 2 44 GLU HA 1.800 . 3.000 2.818 2.784 2.882 . 0 0 "[ . 1 . 2]" 1
898 2 44 GLU H 2 44 GLU QB 1.800 . 3.000 2.381 2.063 2.721 . 0 0 "[ . 1 . 2]" 1
899 2 44 GLU H 2 44 GLU QG 1.800 . 4.000 2.763 2.033 3.996 . 0 0 "[ . 1 . 2]" 1
900 2 44 GLU H 2 45 ASN H 1.800 . 4.000 2.612 2.397 2.705 . 0 0 "[ . 1 . 2]" 1
901 2 41 ALA HA 2 44 GLU QG 1.800 . 5.500 2.701 1.855 4.595 . 0 0 "[ . 1 . 2]" 1
902 2 40 TYR QD 2 44 GLU QG 1.800 . 6.000 3.860 2.560 5.527 . 0 0 "[ . 1 . 2]" 1
903 2 40 TYR QE 2 44 GLU QG 1.800 . 6.000 3.771 2.916 5.252 . 0 0 "[ . 1 . 2]" 1
904 2 44 GLU HA 2 45 ASN H 1.800 . 3.500 3.479 3.414 3.532 0.032 16 0 "[ . 1 . 2]" 1
905 2 44 GLU QB 2 45 ASN H 1.800 . 5.000 3.121 2.507 3.671 . 0 0 "[ . 1 . 2]" 1
906 2 45 ASN HA 2 46 SER H 1.800 . 3.500 3.493 3.451 3.533 0.033 15 0 "[ . 1 . 2]" 1
907 2 47 ASN HA 2 48 ASP H 1.800 . 3.500 2.685 2.141 3.509 0.009 20 0 "[ . 1 . 2]" 1
908 2 47 ASN QB 2 48 ASP H 1.800 . 5.000 3.316 1.987 4.025 . 0 0 "[ . 1 . 2]" 1
909 2 49 ARG H 2 49 ARG QG 1.800 . 4.000 3.237 2.238 4.013 0.013 4 0 "[ . 1 . 2]" 1
910 2 49 ARG HA 2 50 SER H 1.800 . 4.500 2.537 2.150 3.545 . 0 0 "[ . 1 . 2]" 1
911 2 50 SER HA 2 51 GLU H 1.800 . 4.500 2.510 2.140 3.546 . 0 0 "[ . 1 . 2]" 1
912 2 50 SER QB 2 51 GLU H 1.800 . 5.000 3.408 2.497 4.042 . 0 0 "[ . 1 . 2]" 1
913 2 54 LYS HA 2 55 LYS H 1.800 . 3.000 2.401 2.139 2.896 . 0 0 "[ . 1 . 2]" 1
914 2 55 LYS H 2 55 LYS QG 1.800 . 5.000 3.478 2.205 4.399 . 0 0 "[ . 1 . 2]" 1
915 2 55 LYS QB 2 56 PRO QD 1.800 . 4.500 2.994 1.836 3.845 . 0 0 "[ . 1 . 2]" 1
916 2 56 PRO HA 2 57 ARG H 1.800 . 3.000 2.363 2.150 2.699 . 0 0 "[ . 1 . 2]" 1
917 2 56 PRO QB 2 57 ARG H 1.800 . 5.000 3.166 2.129 4.009 . 0 0 "[ . 1 . 2]" 1
918 2 57 ARG HA 2 58 ILE H 1.800 . 3.000 2.317 2.141 2.596 . 0 0 "[ . 1 . 2]" 1
919 2 58 ILE H 2 58 ILE HB 1.800 . 3.500 3.181 2.624 3.570 0.070 13 0 "[ . 1 . 2]" 1
920 2 58 ILE H 2 58 ILE QG 1.800 . 4.500 3.163 1.938 4.276 . 0 0 "[ . 1 . 2]" 1
921 2 58 ILE H 2 58 ILE MG 1.800 . 5.000 3.158 1.964 3.991 . 0 0 "[ . 1 . 2]" 1
922 2 58 ILE HA 2 58 ILE QG 1.800 . 4.500 2.592 2.275 3.334 . 0 0 "[ . 1 . 2]" 1
923 2 58 ILE HA 2 58 ILE MG 1.800 . 4.500 2.643 1.985 3.209 . 0 0 "[ . 1 . 2]" 1
924 2 58 ILE HA 2 59 ASP H 1.800 . 3.500 2.457 2.137 3.540 0.040 12 0 "[ . 1 . 2]" 1
925 2 58 ILE HB 2 59 ASP H 1.800 . 5.000 3.822 2.457 4.651 . 0 0 "[ . 1 . 2]" 1
926 2 58 ILE MG 2 59 ASP H 1.800 . 6.000 3.482 2.175 4.403 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 119
_Distance_constraint_stats_list.Viol_total 15.953
_Distance_constraint_stats_list.Viol_max 0.024
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0067
_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 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 0.018 0.005 11 0 "[ . 1 . 2]"
1 16 LEU 0.006 0.006 7 0 "[ . 1 . 2]"
1 20 ILE 0.016 0.006 12 0 "[ . 1 . 2]"
1 23 VAL 0.005 0.005 17 0 "[ . 1 . 2]"
1 24 VAL 0.171 0.019 2 0 "[ . 1 . 2]"
1 26 VAL 0.072 0.017 11 0 "[ . 1 . 2]"
1 27 LEU 0.012 0.005 19 0 "[ . 1 . 2]"
1 30 SER 0.271 0.024 12 0 "[ . 1 . 2]"
1 33 ILE 0.002 0.002 14 0 "[ . 1 . 2]"
1 34 PHE 0.008 0.005 17 0 "[ . 1 . 2]"
1 37 LEU 0.134 0.014 2 0 "[ . 1 . 2]"
1 38 TYR 0.074 0.011 13 0 "[ . 1 . 2]"
1 40 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.003 0.002 11 0 "[ . 1 . 2]"
1 44 GLU 0.006 0.002 17 0 "[ . 1 . 2]"
2 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 LEU 0.037 0.008 12 0 "[ . 1 . 2]"
2 20 ILE 0.008 0.005 17 0 "[ . 1 . 2]"
2 23 VAL 0.014 0.005 19 0 "[ . 1 . 2]"
2 24 VAL 0.237 0.024 12 0 "[ . 1 . 2]"
2 26 VAL 0.033 0.007 6 0 "[ . 1 . 2]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 SER 0.243 0.019 2 0 "[ . 1 . 2]"
2 33 ILE 0.010 0.005 17 0 "[ . 1 . 2]"
2 34 PHE 0.005 0.002 11 0 "[ . 1 . 2]"
2 37 LEU 0.085 0.011 13 0 "[ . 1 . 2]"
2 38 TYR 0.097 0.014 2 0 "[ . 1 . 2]"
2 40 TYR 0.018 0.005 11 0 "[ . 1 . 2]"
2 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 LEU 0.006 0.002 17 0 "[ . 1 . 2]"
2 44 GLU 0.003 0.002 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 ILE HA 2 34 PHE QE 1.800 . 6.000 4.818 4.098 5.650 . 0 0 "[ . 1 . 2]" 2
2 1 20 ILE HA 2 34 PHE HZ 1.800 . 6.000 5.156 4.459 5.855 . 0 0 "[ . 1 . 2]" 2
3 1 20 ILE MD 2 34 PHE QE 1.800 . 6.000 4.209 3.175 4.917 . 0 0 "[ . 1 . 2]" 2
4 1 20 ILE MD 2 34 PHE QD 1.800 . 5.000 4.455 3.464 5.002 0.002 11 0 "[ . 1 . 2]" 2
5 1 20 ILE MG 2 34 PHE QD 1.800 . 5.000 3.827 3.187 4.321 . 0 0 "[ . 1 . 2]" 2
6 1 20 ILE MG 2 34 PHE QE 1.800 . 5.500 2.510 1.873 3.176 . 0 0 "[ . 1 . 2]" 2
7 1 20 ILE MG 2 34 PHE HZ 1.800 . 6.000 3.286 2.492 4.174 . 0 0 "[ . 1 . 2]" 2
8 1 20 ILE HA 2 33 ILE MG 1.800 . 4.500 3.426 2.678 4.213 . 0 0 "[ . 1 . 2]" 2
9 1 20 ILE QG 2 33 ILE MG 1.800 . 4.500 2.198 1.831 3.025 . 0 0 "[ . 1 . 2]" 2
10 1 20 ILE MD 2 37 LEU HA 1.800 . 6.000 5.340 4.429 6.006 0.006 12 0 "[ . 1 . 2]" 2
11 1 20 ILE MD 2 37 LEU MD2 1.800 . 5.000 3.889 2.288 4.708 . 0 0 "[ . 1 . 2]" 2
12 1 20 ILE MG 2 37 LEU QD 1.800 . 6.000 3.271 2.363 4.793 . 0 0 "[ . 1 . 2]" 2
13 1 20 ILE H 2 33 ILE MG 1.800 . 5.000 4.393 3.927 5.005 0.005 2 0 "[ . 1 . 2]" 2
14 1 16 LEU MD1 2 37 LEU HA 1.800 . 5.000 4.436 3.593 5.006 0.006 7 0 "[ . 1 . 2]" 2
15 1 16 LEU MD1 2 40 TYR QD 1.800 . 5.500 4.612 3.934 5.289 . 0 0 "[ . 1 . 2]" 2
16 1 16 LEU MD1 2 37 LEU QB 1.800 . 6.000 4.685 3.898 5.422 . 0 0 "[ . 1 . 2]" 2
17 1 16 LEU MD1 2 37 LEU MD2 1.800 . 5.000 4.526 3.479 4.984 . 0 0 "[ . 1 . 2]" 2
18 1 26 VAL MG1 2 30 SER HG 1.800 . 6.000 5.904 5.408 6.017 0.017 11 0 "[ . 1 . 2]" 2
19 1 23 VAL MG1 2 30 SER QB 1.800 . 5.000 2.984 1.835 4.140 . 0 0 "[ . 1 . 2]" 2
20 1 23 VAL MG1 2 30 SER HA 1.800 . 5.000 3.247 2.353 4.425 . 0 0 "[ . 1 . 2]" 2
21 1 23 VAL MG1 2 33 ILE MD 1.800 . 4.000 2.639 1.953 4.005 0.005 17 0 "[ . 1 . 2]" 2
22 1 23 VAL MG2 2 33 ILE MD 1.800 . 5.500 2.563 2.028 3.308 . 0 0 "[ . 1 . 2]" 2
23 1 24 VAL HA 2 30 SER QB 1.800 . 6.000 5.711 5.504 5.867 . 0 0 "[ . 1 . 2]" 2
24 1 24 VAL HA 2 30 SER HG 1.800 . 4.500 4.502 4.460 4.519 0.019 2 0 "[ . 1 . 2]" 2
25 1 24 VAL MG2 2 34 PHE QE 1.800 . 6.000 3.324 2.349 3.960 . 0 0 "[ . 1 . 2]" 2
26 1 27 LEU QD 2 23 VAL HA 1.800 . 4.500 4.097 3.636 4.505 0.005 2 0 "[ . 1 . 2]" 2
27 1 27 LEU QD 2 23 VAL MG2 1.800 . 4.500 3.349 1.855 4.505 0.005 19 0 "[ . 1 . 2]" 2
28 1 12 LEU MD2 2 37 LEU MD2 1.800 . 5.500 2.580 1.864 3.509 . 0 0 "[ . 1 . 2]" 2
29 1 13 PRO QG 2 40 TYR QD 1.800 . 6.000 5.355 4.340 5.835 . 0 0 "[ . 1 . 2]" 2
30 1 13 PRO QD 2 40 TYR QD 1.800 . 6.000 4.965 3.770 5.638 . 0 0 "[ . 1 . 2]" 2
31 1 13 PRO QG 2 40 TYR QE 1.800 . 4.500 4.314 3.767 4.505 0.005 11 0 "[ . 1 . 2]" 2
32 1 37 LEU MD1 2 38 TYR QD 1.800 . 4.500 4.269 2.910 4.511 0.011 17 0 "[ . 1 . 2]" 2
33 1 37 LEU MD2 2 38 TYR QD 1.800 . 4.500 4.111 3.550 4.514 0.014 2 0 "[ . 1 . 2]" 2
34 1 37 LEU MD1 2 38 TYR QE 1.800 . 6.000 4.671 2.681 5.495 . 0 0 "[ . 1 . 2]" 2
35 1 41 ALA MB 2 38 TYR QD 1.800 . 4.500 3.281 2.417 4.048 . 0 0 "[ . 1 . 2]" 2
36 1 44 GLU QG 2 42 LEU MD1 1.800 . 6.000 5.516 4.356 6.002 0.002 17 0 "[ . 1 . 2]" 2
37 1 44 GLU QG 2 42 LEU MD2 1.800 . 6.000 4.538 3.588 5.588 . 0 0 "[ . 1 . 2]" 2
38 1 41 ALA MB 2 42 LEU MD1 1.800 . 5.500 2.637 1.980 3.425 . 0 0 "[ . 1 . 2]" 2
39 1 41 ALA MB 2 42 LEU MD2 1.800 . 4.500 2.646 1.851 3.887 . 0 0 "[ . 1 . 2]" 2
40 1 41 ALA HA 2 42 LEU QD 1.800 . 6.000 3.981 3.574 4.910 . 0 0 "[ . 1 . 2]" 2
41 1 41 ALA HA 2 42 LEU MD1 1.800 . 6.000 4.893 4.358 5.679 . 0 0 "[ . 1 . 2]" 2
42 1 41 ALA HA 2 42 LEU MD2 1.800 . 5.500 4.273 3.758 5.374 . 0 0 "[ . 1 . 2]" 2
43 1 34 PHE QE 2 20 ILE HA 1.800 . 6.000 4.951 4.202 5.493 . 0 0 "[ . 1 . 2]" 2
44 1 34 PHE HZ 2 20 ILE HA 1.800 . 6.000 5.528 4.568 6.002 0.002 19 0 "[ . 1 . 2]" 2
45 1 34 PHE QE 2 20 ILE MD 1.800 . 6.000 4.255 3.354 5.073 . 0 0 "[ . 1 . 2]" 2
46 1 34 PHE QD 2 20 ILE MD 1.800 . 5.000 4.398 3.568 5.005 0.005 17 0 "[ . 1 . 2]" 2
47 1 34 PHE QD 2 20 ILE MG 1.800 . 5.000 3.686 3.020 4.419 . 0 0 "[ . 1 . 2]" 2
48 1 34 PHE QE 2 20 ILE MG 1.800 . 5.500 2.468 1.834 3.573 . 0 0 "[ . 1 . 2]" 2
49 1 34 PHE HZ 2 20 ILE MG 1.800 . 6.000 3.501 2.610 4.260 . 0 0 "[ . 1 . 2]" 2
50 1 33 ILE MG 2 20 ILE HA 1.800 . 4.500 3.420 2.504 3.905 . 0 0 "[ . 1 . 2]" 2
51 1 33 ILE MG 2 20 ILE QG 1.800 . 4.500 2.118 1.812 2.512 . 0 0 "[ . 1 . 2]" 2
52 1 37 LEU HA 2 20 ILE MD 1.800 . 6.000 5.296 4.234 5.823 . 0 0 "[ . 1 . 2]" 2
53 1 37 LEU MD2 2 20 ILE MD 1.800 . 5.000 4.011 2.115 4.607 . 0 0 "[ . 1 . 2]" 2
54 1 37 LEU QD 2 20 ILE MG 1.800 . 6.000 3.390 2.191 4.721 . 0 0 "[ . 1 . 2]" 2
55 1 33 ILE MG 2 20 ILE H 1.800 . 5.000 4.490 3.846 4.942 . 0 0 "[ . 1 . 2]" 2
56 1 37 LEU HA 2 16 LEU MD1 1.800 . 5.000 4.671 4.210 5.008 0.008 12 0 "[ . 1 . 2]" 2
57 1 40 TYR QD 2 16 LEU MD1 1.800 . 5.500 4.892 4.224 5.491 . 0 0 "[ . 1 . 2]" 2
58 1 37 LEU QB 2 16 LEU MD1 1.800 . 6.000 4.847 3.498 5.518 . 0 0 "[ . 1 . 2]" 2
59 1 37 LEU MD2 2 16 LEU MD1 1.800 . 5.000 4.489 3.470 5.006 0.006 8 0 "[ . 1 . 2]" 2
60 1 30 SER HG 2 26 VAL MG1 1.800 . 6.000 5.829 4.866 6.007 0.007 6 0 "[ . 1 . 2]" 2
61 1 30 SER QB 2 23 VAL MG1 1.800 . 5.000 2.824 1.898 4.472 . 0 0 "[ . 1 . 2]" 2
62 1 30 SER HA 2 23 VAL MG1 1.800 . 5.000 3.166 2.410 4.187 . 0 0 "[ . 1 . 2]" 2
63 1 33 ILE MD 2 23 VAL MG1 1.800 . 4.000 2.701 2.110 4.002 0.002 14 0 "[ . 1 . 2]" 2
64 1 33 ILE MD 2 23 VAL MG2 1.800 . 5.500 2.622 1.934 4.486 . 0 0 "[ . 1 . 2]" 2
65 1 30 SER QB 2 24 VAL HA 1.800 . 6.000 5.588 4.492 5.889 . 0 0 "[ . 1 . 2]" 2
66 1 30 SER HG 2 24 VAL HA 1.800 . 4.500 4.497 4.304 4.524 0.024 12 0 "[ . 1 . 2]" 2
67 1 34 PHE QE 2 24 VAL MG2 1.800 . 6.000 3.139 1.859 3.840 . 0 0 "[ . 1 . 2]" 2
68 1 23 VAL HA 2 27 LEU QD 1.800 . 4.500 4.122 3.702 4.498 . 0 0 "[ . 1 . 2]" 2
69 1 23 VAL MG2 2 27 LEU QD 1.800 . 4.500 3.122 1.848 4.354 . 0 0 "[ . 1 . 2]" 2
70 1 37 LEU MD2 2 12 LEU MD2 1.800 . 5.500 2.873 2.192 3.943 . 0 0 "[ . 1 . 2]" 2
71 1 40 TYR QD 2 13 PRO QG 1.800 . 6.000 4.385 3.466 5.417 . 0 0 "[ . 1 . 2]" 2
72 1 40 TYR QD 2 13 PRO QD 1.800 . 6.000 4.590 3.508 5.997 . 0 0 "[ . 1 . 2]" 2
73 1 40 TYR QE 2 13 PRO QG 1.800 . 4.500 3.559 2.810 4.385 . 0 0 "[ . 1 . 2]" 2
74 1 38 TYR QD 2 37 LEU MD1 1.800 . 4.500 4.260 2.656 4.510 0.010 8 0 "[ . 1 . 2]" 2
75 1 38 TYR QD 2 37 LEU MD2 1.800 . 4.500 3.867 3.204 4.511 0.011 13 0 "[ . 1 . 2]" 2
76 1 38 TYR QE 2 37 LEU MD1 1.800 . 6.000 4.636 3.946 5.213 . 0 0 "[ . 1 . 2]" 2
77 1 38 TYR QD 2 41 ALA MB 1.800 . 4.500 3.218 2.283 3.726 . 0 0 "[ . 1 . 2]" 2
78 1 42 LEU MD1 2 44 GLU QG 1.800 . 6.000 5.485 4.574 6.002 0.002 11 0 "[ . 1 . 2]" 2
79 1 42 LEU MD2 2 44 GLU QG 1.800 . 6.000 4.688 3.486 5.652 . 0 0 "[ . 1 . 2]" 2
80 1 42 LEU MD1 2 41 ALA MB 1.800 . 5.500 2.369 1.837 3.407 . 0 0 "[ . 1 . 2]" 2
81 1 42 LEU MD2 2 41 ALA MB 1.800 . 4.500 2.638 1.914 3.323 . 0 0 "[ . 1 . 2]" 2
82 1 42 LEU QD 2 41 ALA HA 1.800 . 6.000 3.862 3.237 4.468 . 0 0 "[ . 1 . 2]" 2
83 1 42 LEU MD1 2 41 ALA HA 1.800 . 6.000 4.591 3.822 5.673 . 0 0 "[ . 1 . 2]" 2
84 1 42 LEU MD2 2 41 ALA HA 1.800 . 5.500 4.250 3.486 5.307 . 0 0 "[ . 1 . 2]" 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 48
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 6.381
_Distance_constraint_stats_list.Viol_max 0.024
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0063
_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 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.034 0.015 16 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.069 0.018 11 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.035 0.018 11 0 "[ . 1 . 2]"
1 30 SER 0.016 0.009 14 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.020 0.008 8 0 "[ . 1 . 2]"
1 33 ILE 0.003 0.002 15 0 "[ . 1 . 2]"
1 34 PHE 0.016 0.009 14 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.020 0.008 8 0 "[ . 1 . 2]"
1 37 LEU 0.003 0.002 15 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 LYS 0.115 0.024 16 0 "[ . 1 . 2]"
2 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 VAL 0.142 0.024 16 0 "[ . 1 . 2]"
2 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 LEU 0.027 0.017 16 0 "[ . 1 . 2]"
2 30 SER 0.034 0.013 8 0 "[ . 1 . 2]"
2 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 GLU 0.028 0.006 15 0 "[ . 1 . 2]"
2 33 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 PHE 0.034 0.013 8 0 "[ . 1 . 2]"
2 35 GLU 0.007 0.006 15 0 "[ . 1 . 2]"
2 36 GLU 0.028 0.006 15 0 "[ . 1 . 2]"
2 37 LEU 0.000 0.000 19 0 "[ . 1 . 2]"
2 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 LYS 0.007 0.006 15 0 "[ . 1 . 2]"
2 40 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ALA 0.000 0.000 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 LEU O 1 20 ILE H 2.000 . 2.700 2.010 1.665 2.309 . 0 0 "[ . 1 . 2]" 3
2 1 16 LEU O 1 20 ILE N 3.000 2.400 3.700 2.926 2.622 3.152 . 0 0 "[ . 1 . 2]" 3
3 1 19 LYS O 1 23 VAL H 2.000 . 2.700 2.553 1.941 2.715 0.015 16 0 "[ . 1 . 2]" 3
4 1 19 LYS O 1 23 VAL N 3.000 2.400 3.700 3.423 2.880 3.604 . 0 0 "[ . 1 . 2]" 3
5 1 20 ILE O 1 24 VAL H 2.000 . 2.700 1.872 1.720 2.221 . 0 0 "[ . 1 . 2]" 3
6 1 20 ILE O 1 24 VAL N 3.000 2.400 3.700 2.809 2.659 3.100 . 0 0 "[ . 1 . 2]" 3
7 1 23 VAL O 1 27 LEU H 2.000 . 2.700 2.605 2.461 2.718 0.018 11 0 "[ . 1 . 2]" 3
8 1 23 VAL O 1 27 LEU N 3.000 2.400 3.700 3.512 3.423 3.630 . 0 0 "[ . 1 . 2]" 3
9 1 30 SER O 1 34 PHE H 2.000 . 2.700 2.521 1.890 2.709 0.009 14 0 "[ . 1 . 2]" 3
10 1 30 SER O 1 34 PHE N 3.000 2.400 3.700 3.438 2.835 3.615 . 0 0 "[ . 1 . 2]" 3
11 1 31 LEU O 1 35 GLU H 2.000 . 2.700 1.929 1.674 2.235 . 0 0 "[ . 1 . 2]" 3
12 1 31 LEU O 1 35 GLU N 3.000 2.400 3.700 2.814 2.610 3.100 . 0 0 "[ . 1 . 2]" 3
13 1 32 GLU O 1 36 GLU H 2.000 . 2.700 2.557 2.266 2.708 0.008 8 0 "[ . 1 . 2]" 3
14 1 32 GLU O 1 36 GLU N 3.000 2.400 3.700 3.452 3.214 3.645 . 0 0 "[ . 1 . 2]" 3
15 1 33 ILE O 1 37 LEU H 2.000 . 2.700 2.358 2.034 2.702 0.002 15 0 "[ . 1 . 2]" 3
16 1 33 ILE O 1 37 LEU N 3.000 2.400 3.700 3.155 2.809 3.668 . 0 0 "[ . 1 . 2]" 3
17 1 34 PHE O 1 38 TYR H 2.000 . 2.700 1.934 1.625 2.103 . 0 0 "[ . 1 . 2]" 3
18 1 34 PHE O 1 38 TYR N 3.000 2.400 3.700 2.883 2.533 3.068 . 0 0 "[ . 1 . 2]" 3
19 1 35 GLU O 1 39 LYS H 2.000 . 2.700 2.397 1.782 2.697 . 0 0 "[ . 1 . 2]" 3
20 1 35 GLU O 1 39 LYS N 3.000 2.400 3.700 3.273 2.685 3.558 . 0 0 "[ . 1 . 2]" 3
21 1 36 GLU O 1 40 TYR H 2.000 . 2.700 2.061 1.753 2.397 . 0 0 "[ . 1 . 2]" 3
22 1 36 GLU O 1 40 TYR N 3.000 2.400 3.700 2.882 2.589 3.232 . 0 0 "[ . 1 . 2]" 3
23 1 37 LEU O 1 41 ALA H 2.000 . 2.700 2.260 1.936 2.673 . 0 0 "[ . 1 . 2]" 3
24 1 37 LEU O 1 41 ALA N 3.000 2.400 3.700 3.211 2.913 3.613 . 0 0 "[ . 1 . 2]" 3
25 2 16 LEU O 2 20 ILE H 2.000 . 2.700 2.175 1.833 2.666 . 0 0 "[ . 1 . 2]" 3
26 2 16 LEU O 2 20 ILE N 3.000 2.400 3.700 3.098 2.799 3.573 . 0 0 "[ . 1 . 2]" 3
27 2 19 LYS O 2 23 VAL H 2.000 . 2.700 2.628 2.215 2.724 0.024 16 0 "[ . 1 . 2]" 3
28 2 19 LYS O 2 23 VAL N 3.000 2.400 3.700 3.490 3.059 3.644 . 0 0 "[ . 1 . 2]" 3
29 2 20 ILE O 2 24 VAL H 2.000 . 2.700 1.832 1.659 2.249 . 0 0 "[ . 1 . 2]" 3
30 2 20 ILE O 2 24 VAL N 3.000 2.400 3.700 2.775 2.616 3.159 . 0 0 "[ . 1 . 2]" 3
31 2 23 VAL O 2 27 LEU H 2.000 . 2.700 2.572 2.318 2.717 0.017 16 0 "[ . 1 . 2]" 3
32 2 23 VAL O 2 27 LEU N 3.000 2.400 3.700 3.482 3.238 3.636 . 0 0 "[ . 1 . 2]" 3
33 2 30 SER O 2 34 PHE H 2.000 . 2.700 2.563 2.235 2.713 0.013 8 0 "[ . 1 . 2]" 3
34 2 30 SER O 2 34 PHE N 3.000 2.400 3.700 3.474 3.186 3.636 . 0 0 "[ . 1 . 2]" 3
35 2 31 LEU O 2 35 GLU H 2.000 . 2.700 1.942 1.665 2.290 . 0 0 "[ . 1 . 2]" 3
36 2 31 LEU O 2 35 GLU N 3.000 2.400 3.700 2.814 2.610 3.129 . 0 0 "[ . 1 . 2]" 3
37 2 32 GLU O 2 36 GLU H 2.000 . 2.700 2.572 2.118 2.706 0.006 15 0 "[ . 1 . 2]" 3
38 2 32 GLU O 2 36 GLU N 3.000 2.400 3.700 3.476 3.067 3.654 . 0 0 "[ . 1 . 2]" 3
39 2 33 ILE O 2 37 LEU H 2.000 . 2.700 2.438 2.020 2.700 . 0 0 "[ . 1 . 2]" 3
40 2 33 ILE O 2 37 LEU N 3.000 2.400 3.700 3.218 2.816 3.663 . 0 0 "[ . 1 . 2]" 3
41 2 34 PHE O 2 38 TYR H 2.000 . 2.700 1.999 1.863 2.153 . 0 0 "[ . 1 . 2]" 3
42 2 34 PHE O 2 38 TYR N 3.000 2.400 3.700 2.950 2.700 3.122 . 0 0 "[ . 1 . 2]" 3
43 2 35 GLU O 2 39 LYS H 2.000 . 2.700 2.557 2.268 2.706 0.006 15 0 "[ . 1 . 2]" 3
44 2 35 GLU O 2 39 LYS N 3.000 2.400 3.700 3.408 3.141 3.643 . 0 0 "[ . 1 . 2]" 3
45 2 36 GLU O 2 40 TYR H 2.000 . 2.700 2.196 1.817 2.618 . 0 0 "[ . 1 . 2]" 3
46 2 36 GLU O 2 40 TYR N 3.000 2.400 3.700 3.022 2.676 3.531 . 0 0 "[ . 1 . 2]" 3
47 2 37 LEU O 2 41 ALA H 2.000 . 2.700 2.273 1.808 2.700 0.000 19 0 "[ . 1 . 2]" 3
48 2 37 LEU O 2 41 ALA N 3.000 2.400 3.700 3.214 2.779 3.615 . 0 0 "[ . 1 . 2]" 3
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