NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443087 |
2kdu   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kdu
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 6
_Distance_constraint_stats_list.Viol_count 18
_Distance_constraint_stats_list.Viol_total 249.939
_Distance_constraint_stats_list.Viol_max 2.072
_Distance_constraint_stats_list.Viol_rms 0.4283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1041
_Distance_constraint_stats_list.Viol_average_violations_only 0.6943
_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
1 129 ASP 0.092 0.090 4 0 "[ . 1 . 2]"
1 131 ASP 12.195 2.072 8 7 "[* *. + * * . - *]"
1 133 ASP 0.034 0.034 12 0 "[ . 1 . 2]"
1 135 GLN 0.062 0.052 8 0 "[ . 1 . 2]"
1 140 GLU 0.114 0.094 4 0 "[ . 1 . 2]"
6 1 CA 12.497 2.072 8 7 "[* *. + * * . - *]"
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 1 129 ASP OD1 6 1 CA CA 2.600 . 2.600 2.572 2.539 2.690 0.090 4 0 "[ . 1 . 2]" 1
2 1 131 ASP OD1 6 1 CA CA 2.600 . 2.600 3.169 2.516 4.672 2.072 8 7 "[* *. + * * . - *]" 1
3 1 133 ASP OD1 6 1 CA CA 2.600 . 2.600 2.557 2.520 2.634 0.034 12 0 "[ . 1 . 2]" 1
4 1 135 GLN O 6 1 CA CA 2.600 . 2.600 2.546 2.434 2.652 0.052 8 0 "[ . 1 . 2]" 1
5 1 140 GLU OE1 6 1 CA CA 2.600 . 2.600 2.579 2.530 2.694 0.094 4 0 "[ . 1 . 2]" 1
6 1 140 GLU OE2 6 1 CA CA 2.600 . 2.600 2.548 2.500 2.585 . 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 17
_Distance_constraint_stats_list.Viol_count 101
_Distance_constraint_stats_list.Viol_total 35369.242
_Distance_constraint_stats_list.Viol_max 38.181
_Distance_constraint_stats_list.Viol_rms 11.3278
_Distance_constraint_stats_list.Viol_average_all_restraints 5.2014
_Distance_constraint_stats_list.Viol_average_violations_only 17.5095
_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 36 MET 666.269 38.181 20 20 [*********-*********+]
1 55 VAL 1087.354 33.945 20 20 [*********-*********+]
2 2 SER 543.991 33.945 20 20 [*********-*********+]
2 3 ARG 1224.471 38.181 20 20 [*************-*****+]
2 4 ALA 9.214 0.582 15 11 "[** . ***** *-+* 2]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ALA 5.624 0.873 11 4 "[ . -*+ * . 2]"
2 7 ASN 0.000 0.000 . 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 2 5 LYS HA 2 5 LYS QD 4.000 . 4.000 3.655 2.014 3.976 . 0 0 "[ . 1 . 2]" 2
2 2 3 ARG H 2 4 ALA HA 5.500 . 5.500 5.515 4.733 6.004 0.504 14 1 "[ . 1 +. 2]" 2
3 2 4 ALA H 2 4 ALA MB . . 3.500 2.041 1.909 2.186 . 0 0 "[ . 1 . 2]" 2
4 2 4 ALA MB 2 5 LYS H . . 3.440 2.840 2.372 3.035 . 0 0 "[ . 1 . 2]" 2
5 2 3 ARG H 2 4 ALA H 5.000 . 5.000 3.775 2.655 4.630 . 0 0 "[ . 1 . 2]" 2
6 2 4 ALA H 2 5 LYS H 4.500 . 4.500 2.632 2.321 3.006 . 0 0 "[ . 1 . 2]" 2
7 2 3 ARG HA 2 4 ALA H 3.000 . 3.000 3.089 2.378 3.582 0.582 15 10 "[** . ***** * +- 2]" 2
8 2 5 LYS QB 2 6 ALA H 5.000 . 5.000 2.035 1.898 2.299 . 0 0 "[ . 1 . 2]" 2
9 2 5 LYS H 2 5 LYS QD 4.500 . 4.500 4.099 3.729 4.407 . 0 0 "[ . 1 . 2]" 2
10 2 2 SER QB 2 3 ARG H 4.500 . 4.500 3.061 1.964 3.737 . 0 0 "[ . 1 . 2]" 2
11 2 3 ARG QB 2 4 ALA HA 5.000 . 5.000 4.696 4.421 5.062 0.062 5 0 "[ . 1 . 2]" 2
12 2 3 ARG QB 2 6 ALA H 5.500 . 5.500 5.379 4.179 6.373 0.873 11 4 "[ . -*+ * . 2]" 2
13 2 3 ARG QD 2 4 ALA H 5.500 . 5.500 3.849 3.027 4.360 . 0 0 "[ . 1 . 2]" 2
14 2 6 ALA MB 2 7 ASN H 4.000 . 4.000 2.434 2.318 2.570 . 0 0 "[ . 1 . 2]" 2
15 1 55 VAL QG 2 2 SER QB 5.500 . 5.500 32.700 21.588 39.445 33.945 20 20 [*********-*********+] 2
16 1 55 VAL QG 2 3 ARG QD 5.500 . 5.500 32.668 23.849 38.025 32.525 17 20 [*********-******+***] 2
17 1 36 MET ME 2 3 ARG QD 4.500 . 4.500 37.813 30.997 42.681 38.181 20 20 [*********-*********+] 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 293
_Distance_constraint_stats_list.Viol_count 211
_Distance_constraint_stats_list.Viol_total 1102.700
_Distance_constraint_stats_list.Viol_max 0.853
_Distance_constraint_stats_list.Viol_rms 0.0617
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.2613
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ALA 5.976 0.595 14 9 "[ * ** 1 **+. **-]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 TRP 6.033 0.595 14 9 "[ * ** 1 **+. **-]"
2 9 LEU 0.163 0.057 6 0 "[ . 1 . 2]"
2 10 ARG 0.107 0.057 6 0 "[ . 1 . 2]"
2 11 ALA 0.644 0.644 9 1 "[ . +1 . 2]"
2 12 PHE 2.133 0.329 5 0 "[ . 1 . 2]"
2 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 LYS 1.640 0.644 9 1 "[ . +1 . 2]"
2 15 VAL 3.684 0.506 20 1 "[ . 1 . +]"
2 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 GLN 7.578 0.853 11 5 "[ .* * 1+ . * -]"
2 19 LEU 2.068 0.666 8 3 "[ . + 1 . - *]"
2 20 GLN 3.158 0.775 20 2 "[ . 1 . *+]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 ARG 4.468 0.384 17 0 "[ . 1 . 2]"
2 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 GLY 1.096 0.556 7 2 "[ - + 1 . 2]"
2 27 GLU 1.096 0.556 7 2 "[ - + 1 . 2]"
2 28 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 LYS 1.461 0.411 9 0 "[ . 1 . 2]"
2 31 SER 7.416 0.505 14 1 "[ . 1 +. 2]"
2 32 LEU 17.896 0.592 4 7 "[ * +* 1 *-* * 2]"
2 33 TRP 16.903 0.747 19 9 "[ * -* **1 * * * +2]"
2 34 PHE 5.150 0.563 17 2 "[ . 1 - + 2]"
2 35 LYS 1.711 0.316 19 0 "[ . 1 . 2]"
2 36 GLY 1.747 0.277 15 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 2 4 ALA HA 2 8 TRP HE3 5.500 . 6.000 6.098 4.906 6.595 0.595 14 9 "[ * ** 1 **+. **-]" 3
2 2 16 ARG HA 2 19 LEU MD1 4.370 . 4.870 1.886 1.777 2.179 . 0 0 "[ . 1 . 2]" 3
3 2 18 GLN HA 2 18 GLN HB2 2.460 . 2.960 2.408 2.269 3.028 0.068 8 0 "[ . 1 . 2]" 3
4 2 21 GLU H 2 21 GLU HA 2.750 . 3.250 2.842 2.785 2.891 . 0 0 "[ . 1 . 2]" 3
5 2 20 GLN HA 2 23 ARG H 3.300 . 3.800 3.473 2.922 3.816 0.016 17 0 "[ . 1 . 2]" 3
6 2 9 LEU HA 2 12 PHE H 5.500 . 6.000 4.459 4.292 4.655 . 0 0 "[ . 1 . 2]" 3
7 2 14 LYS HA 2 17 MET H 4.930 . 5.430 3.815 3.422 4.023 . 0 0 "[ . 1 . 2]" 3
8 2 15 VAL HA 2 17 MET H 4.950 . 5.450 4.222 3.871 4.448 . 0 0 "[ . 1 . 2]" 3
9 2 10 ARG HA 2 14 LYS HG3 6.500 . 7.000 4.961 4.248 5.871 . 0 0 "[ . 1 . 2]" 3
10 2 8 TRP HA 2 11 ALA MB 4.610 . 5.110 1.900 1.818 1.996 . 0 0 "[ . 1 . 2]" 3
11 2 23 ARG QB 2 24 GLY QA 4.300 . 4.800 3.847 3.651 4.236 . 0 0 "[ . 1 . 2]" 3
12 2 32 LEU HA 2 35 LYS QE 3.450 . 3.950 3.761 2.818 4.266 0.316 19 0 "[ . 1 . 2]" 3
13 2 12 PHE HA 2 12 PHE QD 3.820 . 4.320 2.078 1.865 2.248 . 0 0 "[ . 1 . 2]" 3
14 2 12 PHE HA 2 15 VAL HB 4.530 . 5.030 4.219 2.923 5.359 0.329 5 0 "[ . 1 . 2]" 3
15 2 8 TRP HA 2 8 TRP HD1 4.540 . 5.040 1.891 1.793 1.960 . 0 0 "[ . 1 . 2]" 3
16 2 3 ARG HA 2 4 ALA HA 5.370 . 5.870 4.564 4.386 4.863 . 0 0 "[ . 1 . 2]" 3
17 2 5 LYS HA 2 8 TRP H 5.490 . 5.990 4.236 3.877 4.673 . 0 0 "[ . 1 . 2]" 3
18 2 5 LYS HA 2 8 TRP HB3 4.790 . 5.290 3.470 2.857 3.980 . 0 0 "[ . 1 . 2]" 3
19 2 4 ALA MB 2 5 LYS HA 5.500 . 6.000 3.884 3.661 4.014 . 0 0 "[ . 1 . 2]" 3
20 2 5 LYS HB3 2 6 ALA HA 4.900 . 5.400 4.200 4.094 4.324 . 0 0 "[ . 1 . 2]" 3
21 2 6 ALA HA 2 9 LEU HB2 5.060 . 5.560 2.526 2.325 2.814 . 0 0 "[ . 1 . 2]" 3
22 2 8 TRP HB3 2 9 LEU HA 4.210 . 4.710 3.955 3.800 4.092 . 0 0 "[ . 1 . 2]" 3
23 2 10 ARG HA 2 10 ARG QB 2.510 . 3.010 2.396 2.377 2.415 . 0 0 "[ . 1 . 2]" 3
24 2 10 ARG HA 2 14 LYS H 5.500 . 6.000 3.638 3.297 3.990 . 0 0 "[ . 1 . 2]" 3
25 2 10 ARG QB 2 11 ALA HA 5.500 . 6.000 3.975 3.921 4.023 . 0 0 "[ . 1 . 2]" 3
26 2 13 ASN HA 2 16 ARG QB 3.500 . 4.000 2.196 1.939 2.593 . 0 0 "[ . 1 . 2]" 3
27 2 14 LYS HA 2 14 LYS HB3 2.890 . 3.390 2.727 2.556 2.848 . 0 0 "[ . 1 . 2]" 3
28 2 16 ARG HA 2 19 LEU H 5.500 . 6.000 3.455 3.266 3.759 . 0 0 "[ . 1 . 2]" 3
29 2 16 ARG HA 2 17 MET HA 5.490 . 5.990 4.819 4.768 4.884 . 0 0 "[ . 1 . 2]" 3
30 2 16 ARG HA 2 19 LEU HG 3.860 . 4.360 2.199 1.910 3.439 . 0 0 "[ . 1 . 2]" 3
31 2 17 MET H 2 17 MET HA 2.740 . 3.240 2.890 2.863 2.939 . 0 0 "[ . 1 . 2]" 3
32 2 18 GLN H 2 18 GLN HA 2.790 . 3.290 2.877 2.844 2.906 . 0 0 "[ . 1 . 2]" 3
33 2 17 MET QG 2 18 GLN HA 6.500 . 7.000 5.636 3.910 5.880 . 0 0 "[ . 1 . 2]" 3
34 2 19 LEU HA 2 22 ALA H 5.370 . 5.870 3.705 3.224 4.760 . 0 0 "[ . 1 . 2]" 3
35 2 19 LEU HA 2 19 LEU MD2 3.810 . 4.310 1.945 1.821 2.062 . 0 0 "[ . 1 . 2]" 3
36 2 20 GLN HA 2 20 GLN HB3 2.530 . 3.030 2.565 2.498 3.031 0.001 19 0 "[ . 1 . 2]" 3
37 2 20 GLN H 2 20 GLN HA 2.750 . 3.250 2.852 2.795 2.921 . 0 0 "[ . 1 . 2]" 3
38 2 19 LEU HB2 2 20 GLN HA 4.500 . 5.000 4.123 4.022 4.259 . 0 0 "[ . 1 . 2]" 3
39 2 32 LEU HB2 2 33 TRP HA 4.500 . 5.000 4.627 4.005 5.165 0.165 13 0 "[ . 1 . 2]" 3
40 2 33 TRP HA 2 35 LYS QG 5.500 . 6.000 4.352 2.456 5.619 . 0 0 "[ . 1 . 2]" 3
41 2 31 SER QB 2 32 LEU HA 4.500 . 5.000 4.112 3.397 4.674 . 0 0 "[ . 1 . 2]" 3
42 2 34 PHE HA 2 34 PHE QD 3.780 . 4.280 2.915 2.510 3.731 . 0 0 "[ . 1 . 2]" 3
43 2 33 TRP H 2 34 PHE HA 5.270 . 5.770 5.295 4.453 5.935 0.165 12 0 "[ . 1 . 2]" 3
44 2 23 ARG HA 2 23 ARG QD 3.340 . 3.840 3.690 1.961 4.110 0.270 1 0 "[ . 1 . 2]" 3
45 2 32 LEU H 2 33 TRP HA 5.500 . 6.000 5.277 4.311 6.489 0.489 6 0 "[ . 1 . 2]" 3
46 2 8 TRP H 2 9 LEU HA 5.500 . 6.000 5.384 5.333 5.453 . 0 0 "[ . 1 . 2]" 3
47 2 33 TRP HB3 2 34 PHE H 4.500 . 5.000 3.584 2.021 4.644 . 0 0 "[ . 1 . 2]" 3
48 2 33 TRP HB2 2 34 PHE H 3.260 . 3.760 2.959 1.776 4.323 0.563 17 1 "[ . 1 . + 2]" 3
49 2 20 GLN HA 2 23 ARG QB 4.500 . 5.000 3.676 2.656 5.069 0.069 12 0 "[ . 1 . 2]" 3
50 2 21 GLU QB 2 22 ALA HA 4.500 . 5.000 4.092 3.955 4.205 . 0 0 "[ . 1 . 2]" 3
51 2 22 ALA H 2 22 ALA MB 2.970 . 3.470 2.063 1.970 2.170 . 0 0 "[ . 1 . 2]" 3
52 2 21 GLU QB 2 22 ALA MB 5.490 . 5.990 3.825 3.593 3.973 . 0 0 "[ . 1 . 2]" 3
53 2 18 GLN HB3 2 19 LEU MD2 6.500 . 7.000 4.138 3.462 4.958 . 0 0 "[ . 1 . 2]" 3
54 2 18 GLN HB2 2 19 LEU MD2 5.500 . 6.000 4.320 2.366 4.943 . 0 0 "[ . 1 . 2]" 3
55 2 18 GLN H 2 18 GLN HB3 2.820 . 3.320 2.284 1.951 3.575 0.255 17 0 "[ . 1 . 2]" 3
56 2 15 VAL HA 2 18 GLN HB2 4.800 . 5.300 3.704 2.430 4.418 . 0 0 "[ . 1 . 2]" 3
57 2 15 VAL HA 2 18 GLN HB3 3.680 . 4.180 2.692 1.873 4.686 0.506 20 1 "[ . 1 . +]" 3
58 2 18 GLN H 2 18 GLN HB2 3.670 . 4.170 3.240 2.392 3.504 . 0 0 "[ . 1 . 2]" 3
59 2 18 GLN HB2 2 19 LEU H 4.840 . 5.340 3.971 2.469 4.305 . 0 0 "[ . 1 . 2]" 3
60 2 19 LEU HB2 2 19 LEU MD1 3.430 . 3.930 2.399 2.258 2.488 . 0 0 "[ . 1 . 2]" 3
61 2 19 LEU HB3 2 19 LEU MD2 3.140 . 3.640 2.449 2.264 2.531 . 0 0 "[ . 1 . 2]" 3
62 2 19 LEU HB3 2 20 GLN H 4.920 . 5.420 3.870 3.693 4.006 . 0 0 "[ . 1 . 2]" 3
63 2 19 LEU HB2 2 20 GLN H 5.500 . 6.000 2.624 2.424 2.779 . 0 0 "[ . 1 . 2]" 3
64 2 16 ARG HA 2 19 LEU HB3 5.500 . 6.000 4.473 4.142 4.756 . 0 0 "[ . 1 . 2]" 3
65 2 16 ARG HA 2 19 LEU HB2 5.500 . 6.000 3.503 2.961 4.038 . 0 0 "[ . 1 . 2]" 3
66 2 17 MET H 2 17 MET HB3 3.750 . 4.250 3.432 2.485 3.541 . 0 0 "[ . 1 . 2]" 3
67 2 17 MET HB3 2 17 MET ME 4.500 . 5.000 2.514 1.937 4.048 . 0 0 "[ . 1 . 2]" 3
68 2 17 MET HB2 2 17 MET ME 3.500 . 4.000 2.711 1.920 3.794 . 0 0 "[ . 1 . 2]" 3
69 2 16 ARG QB 2 19 LEU MD1 5.500 . 6.000 3.543 3.211 3.997 . 0 0 "[ . 1 . 2]" 3
70 2 14 LYS HB3 2 15 VAL HB 5.500 . 6.000 5.509 4.780 6.335 0.335 11 0 "[ . 1 . 2]" 3
71 2 15 VAL HB 2 19 LEU HG 5.500 . 6.000 4.529 3.611 5.580 . 0 0 "[ . 1 . 2]" 3
72 2 13 ASN HB2 2 14 LYS H 4.980 . 5.480 3.872 3.825 3.914 . 0 0 "[ . 1 . 2]" 3
73 2 12 PHE H 2 12 PHE HB2 3.590 . 4.090 2.448 2.318 2.585 . 0 0 "[ . 1 . 2]" 3
74 2 12 PHE HB3 2 13 ASN H 5.500 . 6.000 3.703 3.561 3.806 . 0 0 "[ . 1 . 2]" 3
75 2 11 ALA MB 2 12 PHE QD 5.500 . 6.000 2.777 2.368 3.750 . 0 0 "[ . 1 . 2]" 3
76 2 11 ALA MB 2 12 PHE H 3.820 . 4.320 1.960 1.768 2.116 . 0 0 "[ . 1 . 2]" 3
77 2 10 ARG QB 2 11 ALA H 3.140 . 3.640 2.811 2.690 2.895 . 0 0 "[ . 1 . 2]" 3
78 2 7 ASN H 2 7 ASN HB3 3.530 . 4.030 3.310 2.590 3.541 . 0 0 "[ . 1 . 2]" 3
79 2 5 LYS HB2 2 6 ALA MB 4.900 . 5.400 4.584 3.557 4.943 . 0 0 "[ . 1 . 2]" 3
80 2 5 LYS H 2 5 LYS HB3 3.680 . 4.180 2.942 2.657 3.563 . 0 0 "[ . 1 . 2]" 3
81 2 5 LYS HB3 2 6 ALA MB 4.320 . 4.820 3.616 3.288 4.407 . 0 0 "[ . 1 . 2]" 3
82 2 15 VAL MG1 2 16 ARG H 5.500 . 6.000 3.624 3.025 4.120 . 0 0 "[ . 1 . 2]" 3
83 2 19 LEU H 2 19 LEU MD1 4.780 . 5.280 3.504 3.239 3.591 . 0 0 "[ . 1 . 2]" 3
84 2 19 LEU MD1 2 20 GLN H 4.500 . 5.000 4.514 4.278 4.628 . 0 0 "[ . 1 . 2]" 3
85 2 32 LEU HB2 2 32 LEU MD2 3.450 . 3.950 2.345 2.023 3.143 . 0 0 "[ . 1 . 2]" 3
86 2 9 LEU HB2 2 10 ARG QG 4.120 . 4.620 3.266 2.821 3.465 . 0 0 "[ . 1 . 2]" 3
87 2 19 LEU HB2 2 19 LEU MD2 3.320 . 3.820 3.195 3.169 3.208 . 0 0 "[ . 1 . 2]" 3
88 2 16 ARG HA 2 19 LEU MD2 5.500 . 6.000 3.514 3.030 4.612 . 0 0 "[ . 1 . 2]" 3
89 2 35 LYS HA 2 35 LYS QG 3.290 . 3.790 2.546 2.293 3.318 . 0 0 "[ . 1 . 2]" 3
90 2 35 LYS QE 2 35 LYS QG 3.220 . 3.720 2.145 2.070 2.306 . 0 0 "[ . 1 . 2]" 3
91 2 9 LEU H 2 9 LEU HG 4.090 . 4.590 3.619 2.012 4.151 . 0 0 "[ . 1 . 2]" 3
92 2 19 LEU H 2 19 LEU HG 3.270 . 3.770 1.825 1.714 1.891 . 0 0 "[ . 1 . 2]" 3
93 2 19 LEU HA 2 19 LEU HG 4.000 . 4.500 3.356 3.045 3.491 . 0 0 "[ . 1 . 2]" 3
94 2 14 LYS H 2 14 LYS HG2 3.460 . 3.960 3.003 2.418 3.959 . 0 0 "[ . 1 . 2]" 3
95 2 14 LYS HA 2 14 LYS HG2 3.080 . 3.580 2.544 2.290 3.561 . 0 0 "[ . 1 . 2]" 3
96 2 23 ARG H 2 23 ARG HG2 5.310 . 5.810 3.169 2.103 3.547 . 0 0 "[ . 1 . 2]" 3
97 2 23 ARG H 2 23 ARG HG3 5.310 . 5.810 2.297 1.832 4.217 . 0 0 "[ . 1 . 2]" 3
98 2 14 LYS H 2 14 LYS HD2 5.500 . 6.000 4.922 2.817 5.477 . 0 0 "[ . 1 . 2]" 3
99 2 14 LYS HA 2 14 LYS HD2 3.460 . 3.960 3.253 1.936 4.252 0.292 11 0 "[ . 1 . 2]" 3
100 2 14 LYS HA 2 14 LYS HD3 3.460 . 3.960 2.437 1.907 3.480 . 0 0 "[ . 1 . 2]" 3
101 2 18 GLN H 2 18 GLN HG3 4.770 . 5.270 3.247 2.875 4.303 . 0 0 "[ . 1 . 2]" 3
102 2 18 GLN H 2 18 GLN HG2 3.040 . 3.540 3.440 1.895 4.393 0.853 11 2 "[ .- 1+ . 2]" 3
103 2 18 GLN HA 2 18 GLN HG2 3.950 . 4.450 4.116 3.526 4.260 . 0 0 "[ . 1 . 2]" 3
104 2 18 GLN HG2 2 19 LEU HG 5.060 . 5.560 4.336 3.333 4.889 . 0 0 "[ . 1 . 2]" 3
105 2 18 GLN HG3 2 19 LEU HG 3.890 . 4.390 3.418 2.054 5.056 0.666 8 3 "[ . + 1 . - *]" 3
106 2 18 GLN HG3 2 19 LEU MD2 5.500 . 6.000 2.555 1.855 4.436 . 0 0 "[ . 1 . 2]" 3
107 2 18 GLN HG2 2 19 LEU MD2 5.500 . 6.000 3.284 2.797 4.236 . 0 0 "[ . 1 . 2]" 3
108 2 20 GLN H 2 20 GLN HG3 3.080 . 3.580 2.309 1.979 4.197 0.617 19 2 "[ . 1 . +-]" 3
109 2 20 GLN H 2 20 GLN HG2 3.080 . 3.580 3.372 1.939 4.355 0.775 20 2 "[ . 1 . -+]" 3
110 2 20 GLN HA 2 20 GLN HG2 2.950 . 3.450 2.564 2.462 3.740 0.290 10 0 "[ . 1 . 2]" 3
111 2 21 GLU H 2 21 GLU HG2 4.770 . 5.270 4.043 1.999 4.565 . 0 0 "[ . 1 . 2]" 3
112 2 21 GLU H 2 21 GLU HG3 4.770 . 5.270 3.737 1.989 4.447 . 0 0 "[ . 1 . 2]" 3
113 2 14 LYS HA 2 14 LYS HG3 3.770 . 4.270 3.528 2.866 3.640 . 0 0 "[ . 1 . 2]" 3
114 2 32 LEU HB3 2 33 TRP HA 5.500 . 6.000 5.803 4.575 6.157 0.157 19 0 "[ . 1 . 2]" 3
115 2 32 LEU HB2 2 32 LEU MD1 3.040 . 3.540 2.734 2.027 3.236 . 0 0 "[ . 1 . 2]" 3
116 2 30 LYS HA 2 31 SER QB . . 4.580 4.354 3.812 4.991 0.411 9 0 "[ . 1 . 2]" 3
117 2 31 SER QB 2 32 LEU MD1 4.730 . 5.230 2.824 1.777 4.754 . 0 0 "[ . 1 . 2]" 3
118 2 31 SER QB 2 32 LEU HG 3.480 . 3.980 4.161 2.693 4.485 0.505 14 1 "[ . 1 +. 2]" 3
119 2 30 LYS HA 2 32 LEU MD1 5.500 . 6.000 5.175 4.101 5.514 . 0 0 "[ . 1 . 2]" 3
120 2 14 LYS H 2 14 LYS HD3 5.500 . 6.000 4.524 4.184 5.463 . 0 0 "[ . 1 . 2]" 3
121 2 10 ARG HA 2 13 ASN H 4.920 . 5.420 3.936 3.641 4.057 . 0 0 "[ . 1 . 2]" 3
122 2 8 TRP HE3 2 9 LEU HA 5.500 . 6.000 5.697 5.368 6.056 0.056 15 0 "[ . 1 . 2]" 3
123 2 14 LYS H 2 15 VAL HA 5.500 . 6.000 5.397 5.343 5.445 . 0 0 "[ . 1 . 2]" 3
124 2 14 LYS HB3 2 15 VAL HA 3.890 . 4.390 4.041 3.913 4.312 . 0 0 "[ . 1 . 2]" 3
125 2 15 VAL MG1 2 19 LEU H 5.500 . 6.000 4.739 3.841 5.766 . 0 0 "[ . 1 . 2]" 3
126 2 18 GLN H 2 19 LEU MD1 5.500 . 6.000 4.990 4.662 5.145 . 0 0 "[ . 1 . 2]" 3
127 2 20 GLN HA 2 23 ARG QD 5.500 . 6.000 2.737 2.039 5.431 . 0 0 "[ . 1 . 2]" 3
128 2 32 LEU MD1 2 33 TRP HA 7.000 . 7.500 4.459 3.503 5.665 . 0 0 "[ . 1 . 2]" 3
129 2 5 LYS HA 2 9 LEU H 5.500 . 6.000 4.113 3.960 4.305 . 0 0 "[ . 1 . 2]" 3
130 2 6 ALA MB 2 7 ASN HA 5.500 . 6.000 3.819 3.719 3.893 . 0 0 "[ . 1 . 2]" 3
131 2 22 ALA MB 2 23 ARG QB 6.500 . 7.000 4.357 4.072 4.567 . 0 0 "[ . 1 . 2]" 3
132 2 32 LEU MD1 2 33 TRP HE1 6.500 . 7.000 4.175 1.799 5.829 . 0 0 "[ . 1 . 2]" 3
133 2 11 ALA H 2 12 PHE H 4.180 . 4.680 3.125 3.029 3.219 . 0 0 "[ . 1 . 2]" 3
134 2 11 ALA MB 2 13 ASN H 4.780 . 5.280 3.970 3.895 4.036 . 0 0 "[ . 1 . 2]" 3
135 2 16 ARG H 2 17 MET H 4.130 . 4.630 2.870 2.763 2.945 . 0 0 "[ . 1 . 2]" 3
136 2 26 GLY H 2 27 GLU HA 5.150 . 5.650 5.180 4.103 6.206 0.556 7 2 "[ - + 1 . 2]" 3
137 2 35 LYS QG 2 36 GLY H 5.500 . 6.000 3.903 2.072 4.471 . 0 0 "[ . 1 . 2]" 3
138 2 17 MET H 2 19 LEU H 4.250 . 4.750 4.062 3.984 4.217 . 0 0 "[ . 1 . 2]" 3
139 2 23 ARG H 2 24 GLY H 4.600 . 5.100 4.022 2.628 4.687 . 0 0 "[ . 1 . 2]" 3
140 2 33 TRP H 2 33 TRP HB2 3.690 . 4.190 3.161 1.992 3.994 . 0 0 "[ . 1 . 2]" 3
141 2 8 TRP H 2 9 LEU H 4.280 . 4.780 2.715 2.648 2.791 . 0 0 "[ . 1 . 2]" 3
142 2 21 GLU H 2 22 ALA H 4.090 . 4.590 2.737 2.564 2.931 . 0 0 "[ . 1 . 2]" 3
143 2 14 LYS H 2 15 VAL H 3.580 . 4.080 2.770 2.705 2.845 . 0 0 "[ . 1 . 2]" 3
144 2 8 TRP H 2 10 ARG H 5.500 . 6.000 4.423 4.277 4.607 . 0 0 "[ . 1 . 2]" 3
145 2 25 GLU H 2 25 GLU QG 4.780 . 5.280 2.662 1.935 3.994 . 0 0 "[ . 1 . 2]" 3
146 2 11 ALA H 2 14 LYS HG3 5.500 . 6.000 5.290 4.412 6.644 0.644 9 1 "[ . +1 . 2]" 3
147 2 5 LYS H 2 5 LYS HB2 2.780 . 3.280 2.275 2.157 2.506 . 0 0 "[ . 1 . 2]" 3
148 2 6 ALA H 2 7 ASN H 3.920 . 4.420 2.765 2.701 2.843 . 0 0 "[ . 1 . 2]" 3
149 2 5 LYS HB2 2 6 ALA H 3.580 . 4.080 3.178 2.159 3.563 . 0 0 "[ . 1 . 2]" 3
150 2 6 ALA H 2 6 ALA MB 3.160 . 3.660 2.048 1.921 2.159 . 0 0 "[ . 1 . 2]" 3
151 2 7 ASN H 2 7 ASN HB2 3.530 . 4.030 2.458 2.167 2.740 . 0 0 "[ . 1 . 2]" 3
152 2 7 ASN H 2 9 LEU HB2 5.500 . 6.000 4.657 4.445 4.981 . 0 0 "[ . 1 . 2]" 3
153 2 7 ASN H 2 8 TRP H 2.900 . 3.400 2.716 2.562 2.852 . 0 0 "[ . 1 . 2]" 3
154 2 8 TRP H 2 8 TRP HB3 3.960 . 4.460 2.832 2.623 3.027 . 0 0 "[ . 1 . 2]" 3
155 2 8 TRP H 2 8 TRP HB2 3.670 . 4.170 2.046 1.961 2.162 . 0 0 "[ . 1 . 2]" 3
156 2 8 TRP H 2 11 ALA MB 4.500 . 5.000 4.011 3.818 4.177 . 0 0 "[ . 1 . 2]" 3
157 2 4 ALA MB 2 8 TRP H 3.670 . 4.170 3.732 3.389 4.051 . 0 0 "[ . 1 . 2]" 3
158 2 8 TRP HB2 2 9 LEU H 4.280 . 4.780 3.372 3.108 3.586 . 0 0 "[ . 1 . 2]" 3
159 2 9 LEU H 2 9 LEU HB2 2.790 . 3.290 2.066 1.976 2.330 . 0 0 "[ . 1 . 2]" 3
160 2 10 ARG H 2 11 ALA H 4.160 . 4.660 2.691 2.626 2.736 . 0 0 "[ . 1 . 2]" 3
161 2 10 ARG H 2 10 ARG HA 2.820 . 3.320 2.855 2.843 2.874 . 0 0 "[ . 1 . 2]" 3
162 2 10 ARG H 2 10 ARG QB 3.050 . 3.550 2.308 2.245 2.346 . 0 0 "[ . 1 . 2]" 3
163 2 10 ARG H 2 10 ARG QD 5.350 . 5.850 3.468 3.389 3.680 . 0 0 "[ . 1 . 2]" 3
164 2 9 LEU HB3 2 10 ARG H 2.500 . 3.000 2.653 2.428 3.057 0.057 6 0 "[ . 1 . 2]" 3
165 2 11 ALA H 2 11 ALA MB 3.250 . 3.750 1.948 1.917 2.017 . 0 0 "[ . 1 . 2]" 3
166 2 8 TRP HB3 2 11 ALA H 5.500 . 6.000 4.921 4.781 5.077 . 0 0 "[ . 1 . 2]" 3
167 2 10 ARG HA 2 11 ALA H 4.500 . 5.000 3.536 3.514 3.558 . 0 0 "[ . 1 . 2]" 3
168 2 7 ASN HA 2 11 ALA H 5.300 . 5.800 4.276 4.075 4.433 . 0 0 "[ . 1 . 2]" 3
169 2 8 TRP HA 2 12 PHE H 3.990 . 4.490 3.751 3.584 3.892 . 0 0 "[ . 1 . 2]" 3
170 2 10 ARG QB 2 12 PHE H 5.500 . 6.000 5.528 5.385 5.652 . 0 0 "[ . 1 . 2]" 3
171 2 12 PHE H 2 13 ASN H 4.250 . 4.750 2.727 2.645 2.790 . 0 0 "[ . 1 . 2]" 3
172 2 13 ASN H 2 15 VAL H 5.310 . 5.810 4.324 4.188 4.437 . 0 0 "[ . 1 . 2]" 3
173 2 13 ASN H 2 13 ASN HB3 3.390 . 3.890 2.545 2.499 2.580 . 0 0 "[ . 1 . 2]" 3
174 2 13 ASN H 2 13 ASN HB2 3.390 . 3.890 2.388 2.363 2.426 . 0 0 "[ . 1 . 2]" 3
175 2 12 PHE HB2 2 13 ASN H 3.130 . 3.630 2.759 2.676 2.896 . 0 0 "[ . 1 . 2]" 3
176 2 10 ARG QB 2 13 ASN H 5.500 . 6.000 5.155 4.834 5.256 . 0 0 "[ . 1 . 2]" 3
177 2 13 ASN H 2 14 LYS HB2 5.500 . 6.000 4.480 4.319 4.668 . 0 0 "[ . 1 . 2]" 3
178 2 13 ASN H 2 14 LYS H 3.560 . 4.060 2.621 2.531 2.755 . 0 0 "[ . 1 . 2]" 3
179 2 14 LYS H 2 14 LYS QE 4.440 . 4.940 4.655 4.214 4.903 . 0 0 "[ . 1 . 2]" 3
180 2 13 ASN HB3 2 14 LYS H 4.980 . 5.480 2.685 2.539 2.793 . 0 0 "[ . 1 . 2]" 3
181 2 14 LYS H 2 14 LYS HB2 2.500 . 3.000 2.169 2.028 2.468 . 0 0 "[ . 1 . 2]" 3
182 2 14 LYS H 2 14 LYS HG3 4.530 . 5.030 3.876 3.151 4.438 . 0 0 "[ . 1 . 2]" 3
183 2 15 VAL H 2 15 VAL HB 3.130 . 3.630 3.002 2.202 3.651 0.021 8 0 "[ . 1 . 2]" 3
184 2 15 VAL H 2 17 MET H 4.250 . 4.750 4.307 3.932 4.444 . 0 0 "[ . 1 . 2]" 3
185 2 12 PHE HA 2 15 VAL H 5.500 . 6.000 3.564 3.291 3.700 . 0 0 "[ . 1 . 2]" 3
186 2 14 LYS HB2 2 15 VAL H 4.090 . 4.590 2.760 2.528 2.964 . 0 0 "[ . 1 . 2]" 3
187 2 14 LYS HB3 2 15 VAL H 4.090 . 4.590 3.097 2.830 3.506 . 0 0 "[ . 1 . 2]" 3
188 2 14 LYS H 2 16 ARG H 4.250 . 4.750 4.068 3.964 4.298 . 0 0 "[ . 1 . 2]" 3
189 2 15 VAL H 2 16 ARG H 4.160 . 4.660 2.624 2.526 2.715 . 0 0 "[ . 1 . 2]" 3
190 2 13 ASN HA 2 16 ARG H 4.480 . 4.980 3.146 2.952 3.354 . 0 0 "[ . 1 . 2]" 3
191 2 15 VAL HB 2 16 ARG H 4.030 . 4.530 3.223 2.603 3.759 . 0 0 "[ . 1 . 2]" 3
192 2 14 LYS HB3 2 16 ARG H 5.500 . 6.000 5.323 5.082 5.671 . 0 0 "[ . 1 . 2]" 3
193 2 16 ARG H 2 19 LEU HG 5.500 . 6.000 4.126 3.829 4.708 . 0 0 "[ . 1 . 2]" 3
194 2 16 ARG H 2 16 ARG QB 3.500 . 4.000 2.260 2.104 2.441 . 0 0 "[ . 1 . 2]" 3
195 2 17 MET H 2 17 MET HB2 3.750 . 4.250 2.337 2.281 2.436 . 0 0 "[ . 1 . 2]" 3
196 2 16 ARG QB 2 17 MET H 3.840 . 4.340 2.550 2.372 2.733 . 0 0 "[ . 1 . 2]" 3
197 2 15 VAL HA 2 18 GLN H 4.450 . 4.950 3.125 2.781 3.319 . 0 0 "[ . 1 . 2]" 3
198 2 18 GLN H 2 19 LEU MD2 6.000 . 6.500 4.269 3.971 4.990 . 0 0 "[ . 1 . 2]" 3
199 2 18 GLN H 2 19 LEU HB3 6.500 . 7.000 6.140 5.987 6.213 . 0 0 "[ . 1 . 2]" 3
200 2 18 GLN H 2 19 LEU H 3.900 . 4.400 2.616 2.519 2.696 . 0 0 "[ . 1 . 2]" 3
201 2 19 LEU H 2 19 LEU MD2 3.910 . 4.410 2.686 2.395 3.202 . 0 0 "[ . 1 . 2]" 3
202 2 18 GLN HB3 2 19 LEU H 4.090 . 4.590 3.588 2.426 3.915 . 0 0 "[ . 1 . 2]" 3
203 2 19 LEU H 2 19 LEU HB2 2.790 . 3.290 2.711 2.502 2.867 . 0 0 "[ . 1 . 2]" 3
204 2 19 LEU H 2 19 LEU HB3 4.050 . 4.550 3.558 3.516 3.580 . 0 0 "[ . 1 . 2]" 3
205 2 19 LEU H 2 20 GLN H 3.980 . 4.480 2.710 2.582 2.864 . 0 0 "[ . 1 . 2]" 3
206 2 18 GLN H 2 20 GLN H 5.110 . 5.610 4.372 4.112 4.567 . 0 0 "[ . 1 . 2]" 3
207 2 20 GLN H 2 22 ALA H 5.340 . 5.840 4.358 3.987 4.814 . 0 0 "[ . 1 . 2]" 3
208 2 21 GLU H 2 21 GLU QB 3.020 . 3.520 2.220 2.156 2.372 . 0 0 "[ . 1 . 2]" 3
209 2 21 GLU H 2 22 ALA MB 5.310 . 5.810 4.268 4.056 4.449 . 0 0 "[ . 1 . 2]" 3
210 2 21 GLU HA 2 22 ALA H 3.390 . 3.890 3.543 3.512 3.565 . 0 0 "[ . 1 . 2]" 3
211 2 21 GLU QB 2 22 ALA H 3.720 . 4.220 2.618 2.484 2.735 . 0 0 "[ . 1 . 2]" 3
212 2 22 ALA MB 2 23 ARG H 2.490 . 2.990 2.686 2.429 2.867 . 0 0 "[ . 1 . 2]" 3
213 2 23 ARG H 2 23 ARG HA 2.790 . 3.290 2.800 2.351 2.944 . 0 0 "[ . 1 . 2]" 3
214 2 21 GLU QB 2 23 ARG H 4.860 . 5.360 4.661 4.434 5.013 . 0 0 "[ . 1 . 2]" 3
215 2 23 ARG H 2 23 ARG QB 3.240 . 3.740 2.425 2.266 3.288 . 0 0 "[ . 1 . 2]" 3
216 2 33 TRP H 2 34 PHE H 4.090 . 4.590 2.991 1.687 4.410 . 0 0 "[ . 1 . 2]" 3
217 2 33 TRP H 2 33 TRP HD1 2.790 . 3.290 3.359 2.164 4.037 0.747 19 6 "[ * -* **1 . +2]" 3
218 2 32 LEU HA 2 33 TRP H 2.500 . 3.000 3.170 2.173 3.592 0.592 4 6 "[ - +* 1 * * * 2]" 3
219 2 32 LEU HB3 2 33 TRP H 3.500 . 4.000 3.759 2.195 4.391 0.391 16 0 "[ . 1 . 2]" 3
220 2 33 TRP H 2 33 TRP HA 2.790 . 3.290 2.699 2.345 2.988 . 0 0 "[ . 1 . 2]" 3
221 2 32 LEU MD1 2 33 TRP H 5.220 . 5.720 2.813 1.592 4.093 . 0 0 "[ . 1 . 2]" 3
222 2 32 LEU MD2 2 33 TRP H 5.500 . 6.000 2.899 1.864 4.925 . 0 0 "[ . 1 . 2]" 3
223 2 23 ARG QB 2 24 GLY H 4.110 . 4.610 2.825 1.877 3.668 . 0 0 "[ . 1 . 2]" 3
224 2 32 LEU H 2 32 LEU MD2 5.500 . 6.000 3.545 1.709 4.436 . 0 0 "[ . 1 . 2]" 3
225 2 32 LEU H 2 32 LEU HB2 4.030 . 4.530 3.854 3.417 4.132 . 0 0 "[ . 1 . 2]" 3
226 2 34 PHE H 2 34 PHE QB 3.570 . 4.070 2.431 2.169 2.953 . 0 0 "[ . 1 . 2]" 3
227 2 34 PHE H 2 34 PHE HA 2.790 . 3.290 2.861 2.358 2.994 . 0 0 "[ . 1 . 2]" 3
228 2 34 PHE QB 2 35 LYS H 4.860 . 5.360 3.229 1.955 3.998 . 0 0 "[ . 1 . 2]" 3
229 2 35 LYS H 2 35 LYS QD 4.750 . 5.250 3.795 3.268 4.508 . 0 0 "[ . 1 . 2]" 3
230 2 34 PHE QD 2 36 GLY H 4.430 . 4.930 4.189 1.966 5.207 0.277 15 0 "[ . 1 . 2]" 3
231 2 35 LYS HB2 2 36 GLY H 4.090 . 4.590 3.437 2.667 4.445 . 0 0 "[ . 1 . 2]" 3
232 2 4 ALA H 2 4 ALA HA 2.640 . 3.140 2.880 2.755 2.968 . 0 0 "[ . 1 . 2]" 3
233 2 9 LEU H 2 11 ALA H 5.450 . 5.950 3.761 3.652 3.851 . 0 0 "[ . 1 . 2]" 3
234 2 8 TRP HB3 2 9 LEU H 4.190 . 4.690 2.412 2.278 2.568 . 0 0 "[ . 1 . 2]" 3
235 2 34 PHE H 2 34 PHE QD 3.880 . 4.380 3.716 1.943 4.485 0.105 17 0 "[ . 1 . 2]" 3
236 2 6 ALA H 2 8 TRP H 5.500 . 6.000 4.301 4.058 4.564 . 0 0 "[ . 1 . 2]" 3
237 2 32 LEU HB2 2 34 PHE H 5.500 . 6.000 5.276 4.017 6.542 0.542 15 1 "[ . 1 + 2]" 3
238 2 32 LEU H 2 33 TRP H 5.500 . 6.000 3.399 1.782 4.641 . 0 0 "[ . 1 . 2]" 3
239 2 23 ARG H 2 23 ARG QD 2.990 . 3.490 3.530 3.016 3.874 0.384 17 0 "[ . 1 . 2]" 3
240 2 6 ALA H 2 8 TRP HB2 5.500 . 6.000 5.380 4.853 5.932 . 0 0 "[ . 1 . 2]" 3
241 2 35 LYS HB3 2 36 GLY H 4.090 . 4.590 4.035 3.427 4.514 . 0 0 "[ . 1 . 2]" 3
242 2 14 LYS H 2 14 LYS HB3 3.500 . 4.000 3.474 3.326 3.612 . 0 0 "[ . 1 . 2]" 3
243 2 31 SER QB 2 32 LEU H 3.860 . 4.360 2.138 1.752 2.492 . 0 0 "[ . 1 . 2]" 3
244 2 1 GLY QA 2 4 ALA H 6.500 . 7.000 5.587 3.526 6.670 . 0 0 "[ . 1 . 2]" 3
245 2 4 ALA HA 2 7 ASN QB 3.940 . 4.440 2.688 2.286 2.979 . 0 0 "[ . 1 . 2]" 3
246 2 6 ALA H 2 7 ASN QB 5.340 . 5.840 4.671 4.369 4.981 . 0 0 "[ . 1 . 2]" 3
247 2 6 ALA HA 2 9 LEU QD 4.920 . 5.420 2.632 1.842 3.731 . 0 0 "[ . 1 . 2]" 3
248 2 6 ALA MB 2 7 ASN QB 6.500 . 7.000 4.120 3.569 4.350 . 0 0 "[ . 1 . 2]" 3
249 2 7 ASN H 2 7 ASN QB 2.950 . 3.450 2.389 2.085 2.653 . 0 0 "[ . 1 . 2]" 3
250 2 7 ASN QB 2 8 TRP H 3.210 . 3.710 2.283 2.053 2.444 . 0 0 "[ . 1 . 2]" 3
251 2 7 ASN QB 2 8 TRP HA 4.780 . 5.280 3.896 3.826 3.992 . 0 0 "[ . 1 . 2]" 3
252 2 8 TRP HB2 2 9 LEU QD 7.500 2.310 8.000 4.165 3.833 4.739 . 0 0 "[ . 1 . 2]" 3
253 2 8 TRP HB3 2 9 LEU QD 6.500 . 7.000 2.897 2.567 3.833 . 0 0 "[ . 1 . 2]" 3
254 2 8 TRP HE3 2 9 LEU QD 7.500 . 8.000 3.841 3.332 4.784 . 0 0 "[ . 1 . 2]" 3
255 2 9 LEU H 2 9 LEU QD 4.120 . 4.620 2.249 1.974 3.009 . 0 0 "[ . 1 . 2]" 3
256 2 9 LEU HA 2 9 LEU QD 3.640 . 4.140 2.062 1.828 2.390 . 0 0 "[ . 1 . 2]" 3
257 2 9 LEU HG 2 13 ASN QB 7.500 . 8.000 5.357 4.562 6.034 . 0 0 "[ . 1 . 2]" 3
258 2 10 ARG HA 2 13 ASN QB 3.110 . 3.610 2.238 1.955 2.412 . 0 0 "[ . 1 . 2]" 3
259 2 10 ARG QG 2 13 ASN QB 6.000 . 6.500 4.476 4.289 4.602 . 0 0 "[ . 1 . 2]" 3
260 2 12 PHE HA 2 15 VAL QG 6.000 . 6.500 2.759 1.944 3.796 . 0 0 "[ . 1 . 2]" 3
261 2 13 ASN HA 2 16 ARG QG 5.270 . 5.770 3.105 1.980 4.228 . 0 0 "[ . 1 . 2]" 3
262 2 13 ASN QB 2 14 LYS H 4.230 . 4.730 2.638 2.505 2.736 . 0 0 "[ . 1 . 2]" 3
263 2 13 ASN QB 2 14 LYS HA 4.860 . 5.360 4.109 4.074 4.147 . 0 0 "[ . 1 . 2]" 3
264 2 13 ASN QB 2 16 ARG H 4.950 . 5.450 4.810 4.697 5.009 . 0 0 "[ . 1 . 2]" 3
265 2 13 ASN QB 2 16 ARG QG 6.500 . 7.000 4.830 3.915 5.798 . 0 0 "[ . 1 . 2]" 3
266 2 14 LYS H 2 15 VAL QG 5.120 . 5.620 4.001 3.629 4.494 . 0 0 "[ . 1 . 2]" 3
267 2 14 LYS HA 2 14 LYS QD 2.790 . 3.290 2.124 1.894 3.136 . 0 0 "[ . 1 . 2]" 3
268 2 15 VAL H 2 15 VAL QG 3.330 . 3.830 2.117 1.787 2.505 . 0 0 "[ . 1 . 2]" 3
269 2 15 VAL QG 2 16 ARG H 3.980 . 4.480 2.472 1.877 3.180 . 0 0 "[ . 1 . 2]" 3
270 2 15 VAL QG 2 16 ARG HA 5.500 . 6.000 3.289 3.123 4.274 . 0 0 "[ . 1 . 2]" 3
271 2 15 VAL QG 2 16 ARG QB 7.500 . 8.000 3.797 2.955 4.454 . 0 0 "[ . 1 . 2]" 3
272 2 16 ARG H 2 16 ARG QG 3.520 . 4.020 2.707 2.123 3.902 . 0 0 "[ . 1 . 2]" 3
273 2 16 ARG HA 2 16 ARG QG 3.570 . 4.070 2.297 2.191 2.599 . 0 0 "[ . 1 . 2]" 3
274 2 16 ARG QG 2 17 MET H 5.190 . 5.690 4.063 3.690 4.250 . 0 0 "[ . 1 . 2]" 3
275 2 16 ARG QG 2 18 GLN H 5.340 . 5.840 5.470 5.233 5.600 . 0 0 "[ . 1 . 2]" 3
276 2 17 MET H 2 17 MET QB 3.000 . 3.500 2.288 2.171 2.318 . 0 0 "[ . 1 . 2]" 3
277 2 20 GLN H 2 20 GLN QB 2.430 . 2.930 2.319 2.080 2.447 . 0 0 "[ . 1 . 2]" 3
278 2 20 GLN HA 2 23 ARG QG 5.500 . 6.000 3.025 2.460 4.275 . 0 0 "[ . 1 . 2]" 3
279 2 20 GLN QB 2 21 GLU H 3.500 . 4.000 2.699 2.402 3.790 . 0 0 "[ . 1 . 2]" 3
280 2 21 GLU H 2 21 GLU QG 4.170 . 4.670 3.356 1.971 4.012 . 0 0 "[ . 1 . 2]" 3
281 2 21 GLU HA 2 21 GLU QG 3.330 . 3.830 2.433 2.336 2.852 . 0 0 "[ . 1 . 2]" 3
282 2 21 GLU QG 2 22 ALA H 5.340 . 5.840 3.848 3.677 4.084 . 0 0 "[ . 1 . 2]" 3
283 2 23 ARG H 2 23 ARG QG 4.680 . 5.180 2.053 1.818 2.612 . 0 0 "[ . 1 . 2]" 3
284 2 23 ARG HA 2 23 ARG QG 2.390 . 2.890 2.409 2.262 2.877 . 0 0 "[ . 1 . 2]" 3
285 2 27 GLU QB 2 28 MET HA 4.500 . 5.000 4.357 3.939 4.778 . 0 0 "[ . 1 . 2]" 3
286 2 28 MET HA 2 28 MET QG 3.260 . 3.760 2.318 2.303 2.338 . 0 0 "[ . 1 . 2]" 3
287 2 28 MET QB 2 29 SER HA 4.340 . 4.840 4.286 3.958 4.676 . 0 0 "[ . 1 . 2]" 3
288 2 28 MET QB 2 29 SER QB 6.500 . 7.000 4.603 3.890 5.357 . 0 0 "[ . 1 . 2]" 3
289 2 28 MET QB 2 31 SER QB 5.340 . 5.840 4.930 3.297 5.488 . 0 0 "[ . 1 . 2]" 3
290 2 29 SER QB 2 30 LYS HA 4.500 . 5.000 4.269 3.941 4.833 . 0 0 "[ . 1 . 2]" 3
291 2 29 SER QB 2 31 SER H 5.340 . 5.840 5.021 4.417 5.769 . 0 0 "[ . 1 . 2]" 3
292 2 32 LEU HA 2 33 TRP QB 5.500 . 6.000 4.818 4.352 5.403 . 0 0 "[ . 1 . 2]" 3
293 2 33 TRP H 2 33 TRP QB 3.190 . 3.690 2.924 1.974 3.476 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 449
_Distance_constraint_stats_list.Viol_count 867
_Distance_constraint_stats_list.Viol_total 4869.613
_Distance_constraint_stats_list.Viol_max 1.631
_Distance_constraint_stats_list.Viol_rms 0.1147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0271
_Distance_constraint_stats_list.Viol_average_violations_only 0.2808
_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 2 ASP 0.372 0.061 3 0 "[ . 1 . 2]"
1 3 GLN 0.610 0.064 13 0 "[ . 1 . 2]"
1 4 LEU 1.057 0.192 12 0 "[ . 1 . 2]"
1 5 THR 3.672 1.042 4 2 "[ -+. 1 . 2]"
1 6 GLU 0.537 0.220 19 0 "[ . 1 . 2]"
1 7 GLU 0.441 0.409 12 0 "[ . 1 . 2]"
1 8 GLN 4.306 1.042 4 2 "[ -+. 1 . 2]"
1 9 ILE 4.783 0.340 1 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 13.112 0.705 18 20 [***************-*+**]
1 13 LYS 14.650 0.705 18 20 [***************-*+**]
1 14 GLU 5.876 0.493 10 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.134 0.048 3 0 "[ . 1 . 2]"
1 19 PHE 13.946 0.787 2 15 "[*+***** ****-*.* * 2]"
1 20 ASP 8.153 0.600 11 14 "[***** * **+*-*.* * 2]"
1 21 LYS 15.240 0.847 9 18 "[****.**-+*** *******]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 1.475 0.131 19 0 "[ . 1 . 2]"
1 25 GLY 1.151 0.131 19 0 "[ . 1 . 2]"
1 26 THR 0.368 0.122 19 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 23.567 0.796 5 14 "[****+ -**1 * *** **]"
1 29 THR 19.535 1.226 9 16 "[****.- *+****** ***2]"
1 30 LYS 0.417 0.332 4 0 "[ . 1 . 2]"
1 31 GLU 10.586 0.687 5 3 "[ + - 1 * 2]"
1 32 LEU 7.176 0.696 3 5 "[ +*- *1 * . 2]"
1 33 GLY 4.092 0.891 1 5 "[+* . 1 * .* -2]"
1 34 THR 4.649 0.760 1 4 "[+* . 1 .* -2]"
1 35 VAL 6.290 0.787 2 4 "[ + -.* 1 * . 2]"
1 36 MET 8.360 0.735 5 5 "[ +- 1 .** *2]"
1 37 ARG 17.122 0.891 1 5 "[+* . 1 * .* -2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 16.100 0.735 5 16 "[ ** +** *-******* **]"
1 40 GLY 11.622 0.563 6 15 "[ ** *+* *-***** * **]"
1 41 GLN 0.328 0.316 17 0 "[ . 1 . 2]"
1 42 ASN 3.282 0.682 11 2 "[ . 1+ .- 2]"
1 43 PRO 3.261 0.682 11 2 "[ . 1+ .- 2]"
1 44 THR 7.192 0.642 20 11 "[** . ****- * **+]"
1 45 GLU 1.919 0.338 2 0 "[ . 1 . 2]"
1 46 ALA 1.601 0.577 18 2 "[ . -1 . + 2]"
1 47 GLU 2.042 0.338 2 0 "[ . 1 . 2]"
1 48 LEU 0.797 0.349 17 0 "[ . 1 . 2]"
1 49 GLN 2.304 0.606 2 2 "[ + .- 1 . 2]"
1 50 ASP 0.952 0.164 14 0 "[ . 1 . 2]"
1 51 MET 7.212 0.472 1 0 "[ . 1 . 2]"
1 52 ILE 18.112 1.631 11 16 "[****.* ***+**-* ***2]"
1 53 ASN 4.193 1.631 11 1 "[ . 1+ . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 13.880 0.869 19 2 "[ . 1 . -+2]"
1 56 ASP 5.785 1.046 4 5 "[ - +. 1 .* **2]"
1 57 ALA 0.017 0.017 19 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 16.166 1.064 3 9 "[ *+ .* *-** . * *2]"
1 60 ASN 16.304 1.064 3 10 "[ *+*.* **-* . * *2]"
1 61 GLY 1.181 0.249 11 0 "[ . 1 . 2]"
1 62 THR 21.001 1.046 4 14 "[ * +. ****-*******]"
1 63 ILE 22.731 0.718 18 11 "[ *. ****-** +**]"
1 64 ASP 4.575 0.297 7 0 "[ . 1 . 2]"
1 65 PHE 11.506 0.633 10 5 "[ * . + * * - 2]"
1 66 PRO 0.217 0.116 16 0 "[ . 1 . 2]"
1 67 GLU 0.563 0.253 10 0 "[ . 1 . 2]"
1 68 PHE 0.715 0.157 4 0 "[ . 1 . 2]"
1 69 LEU 5.251 0.493 7 0 "[ . 1 . 2]"
1 70 THR 0.917 0.373 2 0 "[ . 1 . 2]"
1 71 MET 0.917 0.373 2 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 MET 8.106 0.433 18 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 2 ASP HA 1 3 GLN H 3.500 . 3.500 2.880 2.204 3.561 0.061 3 0 "[ . 1 . 2]" 4
2 1 3 GLN H 1 3 GLN QG 4.240 . 4.240 3.211 1.959 4.126 . 0 0 "[ . 1 . 2]" 4
3 1 3 GLN HA 1 4 LEU H 3.500 . 3.500 2.695 2.198 3.564 0.064 13 0 "[ . 1 . 2]" 4
4 1 3 GLN QB 1 4 LEU H 4.500 . 4.500 3.136 1.928 4.056 . 0 0 "[ . 1 . 2]" 4
5 1 3 GLN QG 1 4 LEU QD 5.380 . 5.380 3.450 2.498 4.310 . 0 0 "[ . 1 . 2]" 4
6 1 4 LEU H 1 4 LEU HB2 3.500 . 3.500 2.780 2.239 3.551 0.051 5 0 "[ . 1 . 2]" 4
7 1 4 LEU HA 1 5 THR H 5.500 . 5.500 2.318 2.235 2.803 . 0 0 "[ . 1 . 2]" 4
8 1 4 LEU HB2 1 4 LEU MD2 3.500 . 3.500 2.928 2.256 3.199 . 0 0 "[ . 1 . 2]" 4
9 1 4 LEU HB2 1 4 LEU MD1 3.500 . 3.500 2.431 2.063 3.207 . 0 0 "[ . 1 . 2]" 4
10 1 4 LEU HB2 1 5 THR H 4.500 . 4.500 4.030 1.939 4.692 0.192 12 0 "[ . 1 . 2]" 4
11 1 4 LEU HB3 1 4 LEU MD2 3.500 . 3.500 2.413 2.014 3.193 . 0 0 "[ . 1 . 2]" 4
12 1 4 LEU HB3 1 4 LEU MD1 3.500 . 3.500 2.522 2.307 3.159 . 0 0 "[ . 1 . 2]" 4
13 1 4 LEU HB3 1 5 THR H 5.500 . 5.500 3.403 2.471 4.302 . 0 0 "[ . 1 . 2]" 4
14 1 4 LEU MD1 1 5 THR H 5.500 . 5.500 4.082 2.672 4.946 . 0 0 "[ . 1 . 2]" 4
15 1 4 LEU MD1 1 12 PHE QE 5.500 . 6.000 3.124 1.905 3.682 . 0 0 "[ . 1 . 2]" 4
16 1 4 LEU MD1 1 69 LEU HG 5.500 . 5.500 4.575 3.402 5.478 . 0 0 "[ . 1 . 2]" 4
17 1 4 LEU MD2 1 5 THR H 5.500 . 5.500 3.367 2.079 4.665 . 0 0 "[ . 1 . 2]" 4
18 1 4 LEU MD2 1 12 PHE QE 5.000 . 6.000 2.939 2.101 3.348 . 0 0 "[ . 1 . 2]" 4
19 1 4 LEU QD 1 5 THR H 4.500 . 4.500 2.920 2.076 3.509 . 0 0 "[ . 1 . 2]" 4
20 1 4 LEU QD 1 8 GLN HB2 5.500 . 5.500 2.986 1.901 4.470 . 0 0 "[ . 1 . 2]" 4
21 1 4 LEU QD 1 8 GLN HB3 5.500 . 5.500 2.988 2.451 3.654 . 0 0 "[ . 1 . 2]" 4
22 1 4 LEU QD 1 8 GLN QG 7.500 . 7.500 3.743 3.060 4.125 . 0 0 "[ . 1 . 2]" 4
23 1 4 LEU QD 1 9 ILE HA 5.500 . 5.500 3.740 3.037 4.077 . 0 0 "[ . 1 . 2]" 4
24 1 4 LEU QD 1 9 ILE HB 7.500 . 7.500 4.462 3.868 4.837 . 0 0 "[ . 1 . 2]" 4
25 1 4 LEU QD 1 9 ILE MG 7.500 . 7.500 3.717 3.423 4.031 . 0 0 "[ . 1 . 2]" 4
26 1 4 LEU QD 1 9 ILE QG 6.500 . 6.500 2.296 1.781 3.096 . 0 0 "[ . 1 . 2]" 4
27 1 4 LEU QD 1 73 ALA HA 4.500 . 4.500 3.342 2.458 3.959 . 0 0 "[ . 1 . 2]" 4
28 1 4 LEU QD 1 73 ALA MB 4.000 . 4.000 2.167 1.680 2.607 . 0 0 "[ . 1 . 2]" 4
29 1 5 THR H 1 5 THR MG 4.500 . 4.500 3.390 1.889 3.757 . 0 0 "[ . 1 . 2]" 4
30 1 5 THR HA 1 6 GLU QB 4.500 . 4.500 4.352 4.108 4.603 0.103 13 0 "[ . 1 . 2]" 4
31 1 5 THR HB 1 6 GLU QB 5.500 . 5.500 5.075 3.855 5.720 0.220 19 0 "[ . 1 . 2]" 4
32 1 5 THR HB 1 8 GLN HB2 5.500 . 5.500 3.460 2.552 4.974 . 0 0 "[ . 1 . 2]" 4
33 1 5 THR HB 1 6 GLU H 4.500 . 4.500 3.687 2.517 4.031 . 0 0 "[ . 1 . 2]" 4
34 1 5 THR HB 1 8 GLN H 3.500 . 3.500 2.874 2.299 4.542 1.042 4 2 "[ -+. 1 . 2]" 4
35 1 5 THR HB 1 7 GLU QB 5.500 . 5.500 3.477 3.008 4.820 . 0 0 "[ . 1 . 2]" 4
36 1 5 THR MG 1 6 GLU QB 5.500 . 5.500 3.611 2.995 4.906 . 0 0 "[ . 1 . 2]" 4
37 1 5 THR MG 1 6 GLU H 5.500 . 5.500 2.501 1.958 3.727 . 0 0 "[ . 1 . 2]" 4
38 1 6 GLU H 1 7 GLU H 4.500 . 4.500 2.742 2.655 2.894 . 0 0 "[ . 1 . 2]" 4
39 1 6 GLU H 1 6 GLU HA 3.000 . 3.000 2.844 2.804 2.864 . 0 0 "[ . 1 . 2]" 4
40 1 6 GLU H 1 6 GLU QG 4.500 . 4.500 2.857 1.959 3.925 . 0 0 "[ . 1 . 2]" 4
41 1 6 GLU H 1 6 GLU QB 3.500 . 3.500 2.273 2.146 2.382 . 0 0 "[ . 1 . 2]" 4
42 1 6 GLU HA 1 9 ILE HB 4.500 . 4.500 2.900 2.644 3.341 . 0 0 "[ . 1 . 2]" 4
43 1 6 GLU HA 1 9 ILE MG 4.500 . 4.500 4.168 3.857 4.563 0.063 10 0 "[ . 1 . 2]" 4
44 1 6 GLU QB 1 7 GLU H 3.500 . 3.500 2.609 2.453 3.516 0.016 19 0 "[ . 1 . 2]" 4
45 1 6 GLU QG 1 9 ILE HB 5.500 . 5.500 4.372 3.191 5.488 . 0 0 "[ . 1 . 2]" 4
46 1 7 GLU H 1 8 GLN H 3.500 . 3.500 2.761 2.636 2.887 . 0 0 "[ . 1 . 2]" 4
47 1 7 GLU H 1 7 GLU HA 3.000 . 3.000 2.861 2.819 2.891 . 0 0 "[ . 1 . 2]" 4
48 1 7 GLU H 1 7 GLU QG 4.000 . 4.000 2.925 1.980 3.927 . 0 0 "[ . 1 . 2]" 4
49 1 7 GLU H 1 7 GLU QB 3.500 . 3.500 2.272 2.168 2.378 . 0 0 "[ . 1 . 2]" 4
50 1 5 THR MG 1 7 GLU H 5.500 . 5.500 2.463 1.946 4.497 . 0 0 "[ . 1 . 2]" 4
51 1 7 GLU HA 1 7 GLU QG 3.500 . 3.500 2.426 2.189 3.323 . 0 0 "[ . 1 . 2]" 4
52 1 7 GLU QG 1 8 GLN H 4.000 . 4.000 3.714 1.881 4.409 0.409 12 0 "[ . 1 . 2]" 4
53 1 8 GLN H 1 9 ILE H 3.500 . 3.500 2.763 2.640 3.261 . 0 0 "[ . 1 . 2]" 4
54 1 8 GLN H 1 8 GLN QG 4.000 . 4.000 2.304 1.967 3.917 . 0 0 "[ . 1 . 2]" 4
55 1 8 GLN H 1 8 GLN HB2 3.500 . 3.500 2.372 2.317 2.409 . 0 0 "[ . 1 . 2]" 4
56 1 8 GLN H 1 8 GLN HB3 3.500 . 3.500 3.387 2.535 3.542 0.042 16 0 "[ . 1 . 2]" 4
57 1 8 GLN HA 1 9 ILE H 4.500 . 4.500 3.543 3.512 3.575 . 0 0 "[ . 1 . 2]" 4
58 1 8 GLN HA 1 8 GLN QG 3.500 . 3.500 2.401 2.323 2.871 . 0 0 "[ . 1 . 2]" 4
59 1 8 GLN HA 1 8 GLN HB2 3.000 . 3.000 2.959 2.515 3.039 0.039 19 0 "[ . 1 . 2]" 4
60 1 8 GLN HA 1 8 GLN HB3 3.000 . 3.000 2.594 2.503 3.036 0.036 6 0 "[ . 1 . 2]" 4
61 1 8 GLN HA 1 11 GLU H 4.000 . 4.000 3.723 3.547 3.932 . 0 0 "[ . 1 . 2]" 4
62 1 8 GLN HA 1 12 PHE QE 5.500 . 5.500 4.057 3.762 4.620 . 0 0 "[ . 1 . 2]" 4
63 1 8 GLN HA 1 12 PHE HZ 5.500 . 5.500 4.108 3.715 4.830 . 0 0 "[ . 1 . 2]" 4
64 1 8 GLN HA 1 12 PHE QD 5.500 . 5.500 4.839 4.625 5.212 . 0 0 "[ . 1 . 2]" 4
65 1 8 GLN HB2 1 9 ILE H 5.500 . 5.500 2.590 1.991 3.729 . 0 0 "[ . 1 . 2]" 4
66 1 8 GLN HB2 1 12 PHE QE 6.500 . 6.500 3.920 3.463 5.025 . 0 0 "[ . 1 . 2]" 4
67 1 8 GLN HB3 1 12 PHE QE 4.500 . 4.500 2.901 2.206 4.185 . 0 0 "[ . 1 . 2]" 4
68 1 8 GLN QG 1 9 ILE H 4.500 . 4.500 3.882 3.125 4.028 . 0 0 "[ . 1 . 2]" 4
69 1 9 ILE H 1 10 ALA H 4.000 . 4.000 2.726 2.589 2.967 . 0 0 "[ . 1 . 2]" 4
70 1 9 ILE H 1 9 ILE HA 3.000 . 3.000 2.882 2.779 2.913 . 0 0 "[ . 1 . 2]" 4
71 1 9 ILE H 1 9 ILE HB 3.500 . 3.500 2.520 2.429 2.640 . 0 0 "[ . 1 . 2]" 4
72 1 9 ILE H 1 9 ILE MG 4.500 . 4.500 3.755 3.739 3.775 . 0 0 "[ . 1 . 2]" 4
73 1 9 ILE H 1 9 ILE MD 4.500 . 4.500 3.296 2.810 3.456 . 0 0 "[ . 1 . 2]" 4
74 1 9 ILE HA 1 9 ILE MD 3.500 . 3.500 3.288 1.945 3.840 0.340 1 0 "[ . 1 . 2]" 4
75 1 9 ILE HA 1 9 ILE QG 3.500 . 3.500 2.600 2.396 3.105 . 0 0 "[ . 1 . 2]" 4
76 1 9 ILE HB 1 10 ALA H 3.000 . 3.000 2.374 2.275 2.622 . 0 0 "[ . 1 . 2]" 4
77 1 9 ILE HB 1 9 ILE QG 2.480 . 2.480 2.340 2.198 2.403 . 0 0 "[ . 1 . 2]" 4
78 1 9 ILE MD 1 9 ILE MG 3.520 . 3.520 1.988 1.716 2.165 . 0 0 "[ . 1 . 2]" 4
79 1 9 ILE MG 1 13 LYS QE 6.000 . 6.000 2.146 1.726 4.356 . 0 0 "[ . 1 . 2]" 4
80 1 9 ILE MG 1 13 LYS QG 6.500 2.020 6.500 2.738 2.363 3.942 . 0 0 "[ . 1 . 2]" 4
81 1 9 ILE MG 1 10 ALA HA 5.500 . 5.500 3.696 3.617 3.958 . 0 0 "[ . 1 . 2]" 4
82 1 9 ILE MG 1 10 ALA H 4.000 . 4.000 3.399 3.318 3.590 . 0 0 "[ . 1 . 2]" 4
83 1 9 ILE MG 1 13 LYS H 5.500 . 5.500 3.900 3.452 4.130 . 0 0 "[ . 1 . 2]" 4
84 1 9 ILE MG 1 65 PHE QD 6.500 . 6.500 3.579 3.285 3.903 . 0 0 "[ . 1 . 2]" 4
85 1 9 ILE MG 1 69 LEU MD1 4.000 . 4.000 2.853 2.151 3.180 . 0 0 "[ . 1 . 2]" 4
86 1 10 ALA H 1 11 GLU H 3.500 . 3.500 2.873 2.773 3.007 . 0 0 "[ . 1 . 2]" 4
87 1 10 ALA H 1 10 ALA HA 3.000 . 3.000 2.811 2.794 2.829 . 0 0 "[ . 1 . 2]" 4
88 1 10 ALA H 1 10 ALA MB 3.000 . 3.000 2.091 2.006 2.157 . 0 0 "[ . 1 . 2]" 4
89 1 10 ALA HA 1 11 GLU H 4.500 . 4.500 3.563 3.528 3.595 . 0 0 "[ . 1 . 2]" 4
90 1 10 ALA MB 1 11 GLU H 3.500 . 3.500 2.358 2.280 2.474 . 0 0 "[ . 1 . 2]" 4
91 1 10 ALA MB 1 11 GLU QB 5.000 . 5.000 3.635 3.546 3.707 . 0 0 "[ . 1 . 2]" 4
92 1 11 GLU H 1 12 PHE H 3.500 . 3.500 2.701 2.633 2.833 . 0 0 "[ . 1 . 2]" 4
93 1 11 GLU H 1 11 GLU HA 3.000 . 3.000 2.858 2.844 2.898 . 0 0 "[ . 1 . 2]" 4
94 1 11 GLU H 1 11 GLU QB 3.000 . 3.000 2.155 2.143 2.176 . 0 0 "[ . 1 . 2]" 4
95 1 12 PHE H 1 13 LYS H 4.500 . 4.500 2.583 2.516 2.712 . 0 0 "[ . 1 . 2]" 4
96 1 12 PHE H 1 12 PHE HA 3.000 . 3.000 2.879 2.848 2.894 . 0 0 "[ . 1 . 2]" 4
97 1 12 PHE H 1 12 PHE QB 3.500 . 3.500 2.427 2.401 2.472 . 0 0 "[ . 1 . 2]" 4
98 1 12 PHE QB 1 69 LEU MD1 5.500 . 5.500 3.005 2.225 3.692 . 0 0 "[ . 1 . 2]" 4
99 1 12 PHE QB 1 69 LEU QD 5.500 . 5.500 2.493 1.838 2.998 . 0 0 "[ . 1 . 2]" 4
100 1 12 PHE QE 1 13 LYS H 5.500 . 5.500 6.156 6.095 6.205 0.705 18 20 [***************-*+**] 4
101 1 12 PHE QD 1 69 LEU QD 5.500 . 5.500 2.005 1.748 2.659 . 0 0 "[ . 1 . 2]" 4
102 1 13 LYS H 1 13 LYS QB 3.500 . 3.500 2.316 2.091 2.390 . 0 0 "[ . 1 . 2]" 4
103 1 13 LYS H 1 13 LYS QD 4.500 . 4.500 3.804 3.711 4.435 . 0 0 "[ . 1 . 2]" 4
104 1 13 LYS QB 1 65 PHE QE 5.500 . 5.500 4.025 2.942 4.343 . 0 0 "[ . 1 . 2]" 4
105 1 13 LYS QG 1 14 GLU H 5.500 . 5.500 4.007 3.727 4.070 . 0 0 "[ . 1 . 2]" 4
106 1 13 LYS HA 1 14 GLU H 3.500 . 3.500 3.577 3.569 3.591 0.091 16 0 "[ . 1 . 2]" 4
107 1 14 GLU H 1 15 ALA H 4.000 . 4.000 2.651 2.577 2.713 . 0 0 "[ . 1 . 2]" 4
108 1 14 GLU H 1 14 GLU HA 3.000 . 3.000 2.891 2.878 2.905 . 0 0 "[ . 1 . 2]" 4
109 1 14 GLU H 1 14 GLU QB 3.500 . 3.500 2.246 2.176 2.326 . 0 0 "[ . 1 . 2]" 4
110 1 14 GLU H 1 14 GLU QG 3.500 . 3.500 3.024 2.075 3.993 0.493 10 0 "[ . 1 . 2]" 4
111 1 14 GLU HA 1 15 ALA MB 5.500 . 5.500 4.986 4.966 5.003 . 0 0 "[ . 1 . 2]" 4
112 1 15 ALA MB 1 16 PHE H 4.500 . 4.500 2.571 2.428 2.660 . 0 0 "[ . 1 . 2]" 4
113 1 15 ALA MB 1 16 PHE HA 4.500 . 4.500 3.846 3.773 3.905 . 0 0 "[ . 1 . 2]" 4
114 1 15 ALA MB 1 18 LEU QB 5.500 . 5.500 4.002 3.763 4.136 . 0 0 "[ . 1 . 2]" 4
115 1 16 PHE H 1 17 SER H 5.500 . 5.500 2.724 2.605 2.815 . 0 0 "[ . 1 . 2]" 4
116 1 16 PHE H 1 16 PHE HA 3.000 . 3.000 2.869 2.858 2.882 . 0 0 "[ . 1 . 2]" 4
117 1 16 PHE HA 1 19 PHE QD 5.000 . 5.000 4.113 3.355 4.955 . 0 0 "[ . 1 . 2]" 4
118 1 16 PHE HA 1 16 PHE QE 5.000 . 5.000 4.545 4.356 4.641 . 0 0 "[ . 1 . 2]" 4
119 1 16 PHE QB 1 17 SER H 4.500 . 4.500 2.309 2.098 2.568 . 0 0 "[ . 1 . 2]" 4
120 1 17 SER H 1 18 LEU H 5.000 . 5.000 2.755 2.650 2.824 . 0 0 "[ . 1 . 2]" 4
121 1 17 SER H 1 17 SER QB 3.500 . 3.500 2.340 2.159 2.474 . 0 0 "[ . 1 . 2]" 4
122 1 17 SER QB 1 18 LEU H 4.500 . 4.500 2.511 2.303 3.416 . 0 0 "[ . 1 . 2]" 4
123 1 18 LEU H 1 19 PHE H 4.500 . 4.500 2.649 2.551 2.777 . 0 0 "[ . 1 . 2]" 4
124 1 18 LEU H 1 18 LEU HA 3.000 . 3.000 2.879 2.847 2.913 . 0 0 "[ . 1 . 2]" 4
125 1 18 LEU H 1 18 LEU HB2 3.500 . 3.500 2.352 2.052 2.467 . 0 0 "[ . 1 . 2]" 4
126 1 18 LEU H 1 18 LEU HB3 3.500 . 3.500 2.796 2.448 3.548 0.048 3 0 "[ . 1 . 2]" 4
127 1 19 PHE H 1 20 ASP H 4.500 . 4.500 2.935 2.342 4.630 0.130 15 0 "[ . 1 . 2]" 4
128 1 19 PHE HA 1 20 ASP H 3.000 . 3.000 3.255 2.317 3.600 0.600 11 14 "[***** * **+*-*.* * 2]" 4
129 1 19 PHE QE 1 35 VAL HB 5.000 . 5.000 3.081 1.985 4.654 . 0 0 "[ . 1 . 2]" 4
130 1 19 PHE QE 1 32 LEU QD 6.000 . 6.000 3.668 2.076 4.523 . 0 0 "[ . 1 . 2]" 4
131 1 19 PHE QE 1 35 VAL QG 4.000 . 4.000 1.980 1.753 2.717 . 0 0 "[ . 1 . 2]" 4
132 1 19 PHE QD 1 35 VAL MG2 3.500 . 3.500 2.897 2.102 3.833 0.333 18 0 "[ . 1 . 2]" 4
133 1 19 PHE QD 1 35 VAL HB 4.500 . 4.500 4.559 3.678 5.287 0.787 2 3 "[ + .- 1 * . 2]" 4
134 1 19 PHE QD 1 35 VAL MG1 4.500 . 4.500 4.166 3.371 5.134 0.634 4 1 "[ +. 1 . 2]" 4
135 1 19 PHE QD 1 35 VAL QG 5.500 . 5.500 2.833 2.082 3.646 . 0 0 "[ . 1 . 2]" 4
136 1 20 ASP H 1 20 ASP HA 3.000 . 3.000 2.878 2.361 2.995 . 0 0 "[ . 1 . 2]" 4
137 1 20 ASP H 1 20 ASP QB 3.500 . 3.500 2.424 2.020 3.267 . 0 0 "[ . 1 . 2]" 4
138 1 21 LYS HA 1 21 LYS QD 3.000 . 3.000 3.602 1.977 3.847 0.847 9 18 "[****.**-+*** *******]" 4
139 1 21 LYS QE 1 21 LYS QG 3.000 . 3.000 2.163 1.979 2.326 . 0 0 "[ . 1 . 2]" 4
140 1 21 LYS QE 1 34 THR MG 6.500 . 6.500 3.193 1.879 4.009 0.121 17 0 "[ . 1 . 2]" 4
141 1 21 LYS QB 1 21 LYS QE 4.500 . 4.500 3.478 2.092 3.662 . 0 0 "[ . 1 . 2]" 4
142 1 21 LYS HA 1 21 LYS QG 3.000 . 3.000 2.473 2.211 3.389 0.389 1 0 "[ . 1 . 2]" 4
143 1 21 LYS QB 1 22 ASP H 5.500 . 5.500 2.754 1.974 3.812 . 0 0 "[ . 1 . 2]" 4
144 1 22 ASP H 1 23 GLY H 4.500 . 4.500 2.604 2.063 2.693 . 0 0 "[ . 1 . 2]" 4
145 1 22 ASP H 1 24 ASP H 5.500 . 5.500 4.230 3.722 4.669 . 0 0 "[ . 1 . 2]" 4
146 1 23 GLY H 1 24 ASP H 3.500 . 3.500 2.515 2.328 2.740 . 0 0 "[ . 1 . 2]" 4
147 1 23 GLY QA 1 24 ASP H 3.000 . 3.000 2.887 2.745 2.972 . 0 0 "[ . 1 . 2]" 4
148 1 24 ASP H 1 25 GLY H 4.500 . 4.500 4.355 2.549 4.631 0.131 19 0 "[ . 1 . 2]" 4
149 1 24 ASP H 1 26 THR H 4.500 . 4.500 4.285 3.466 4.622 0.122 19 0 "[ . 1 . 2]" 4
150 1 24 ASP H 1 24 ASP HA 3.000 . 3.000 2.965 2.920 3.001 0.001 8 0 "[ . 1 . 2]" 4
151 1 24 ASP H 1 24 ASP QB 3.500 . 3.500 2.668 2.507 3.004 . 0 0 "[ . 1 . 2]" 4
152 1 25 GLY H 1 26 THR H 3.500 . 3.500 2.761 2.486 3.058 . 0 0 "[ . 1 . 2]" 4
153 1 25 GLY HA2 1 26 THR H 4.500 . 4.500 3.114 2.894 3.516 . 0 0 "[ . 1 . 2]" 4
154 1 26 THR H 1 26 THR HA 3.000 . 3.000 2.999 2.938 3.005 0.005 14 0 "[ . 1 . 2]" 4
155 1 26 THR H 1 26 THR MG 4.000 . 4.000 3.720 2.651 3.864 . 0 0 "[ . 1 . 2]" 4
156 1 26 THR HB 1 27 ILE HA 5.500 . 5.500 4.809 4.711 4.876 . 0 0 "[ . 1 . 2]" 4
157 1 26 THR MG 1 64 ASP HA 5.000 . 5.000 3.285 2.185 4.136 . 0 0 "[ . 1 . 2]" 4
158 1 26 THR MG 1 62 THR HB 6.000 . 6.000 4.196 3.507 4.876 . 0 0 "[ . 1 . 2]" 4
159 1 26 THR MG 1 64 ASP HB3 5.000 . 5.000 4.271 2.940 4.810 . 0 0 "[ . 1 . 2]" 4
160 1 26 THR HA 1 27 ILE H 2.500 . 2.500 2.293 2.228 2.465 . 0 0 "[ . 1 . 2]" 4
161 1 27 ILE H 1 63 ILE H 5.500 . 5.500 3.527 2.866 4.057 . 0 0 "[ . 1 . 2]" 4
162 1 27 ILE H 1 63 ILE HB 5.500 . 5.500 4.080 3.766 4.365 . 0 0 "[ . 1 . 2]" 4
163 1 27 ILE H 1 27 ILE QG 5.000 . 5.000 2.550 1.876 4.028 . 0 0 "[ . 1 . 2]" 4
164 1 28 THR H 1 31 GLU H 4.000 . 4.000 3.988 3.801 4.234 0.234 7 0 "[ . 1 . 2]" 4
165 1 28 THR H 1 32 LEU H 4.500 . 4.500 4.598 3.615 5.196 0.696 3 3 "[ + . *1 - . 2]" 4
166 1 28 THR H 1 28 THR HA 3.000 . 3.000 2.977 2.929 3.016 0.016 5 0 "[ . 1 . 2]" 4
167 1 28 THR H 1 28 THR HB 3.000 . 3.000 3.260 2.481 3.796 0.796 5 12 "[****+ *-1 * .** **]" 4
168 1 28 THR H 1 28 THR MG 3.500 . 3.500 2.714 1.970 3.815 0.315 11 0 "[ . 1 . 2]" 4
169 1 28 THR H 1 31 GLU QG 3.000 . 3.000 3.413 3.250 3.687 0.687 5 3 "[ + - 1 * 2]" 4
170 1 28 THR H 1 31 GLU QB 3.000 . 3.000 2.828 2.170 3.375 0.375 9 0 "[ . 1 . 2]" 4
171 1 28 THR HA 1 28 THR MG 3.500 . 3.500 2.440 2.070 3.196 . 0 0 "[ . 1 . 2]" 4
172 1 28 THR HA 1 52 ILE MD 4.500 . 4.500 3.774 2.775 4.442 . 0 0 "[ . 1 . 2]" 4
173 1 28 THR HB 1 29 THR H 4.500 . 4.500 3.136 2.373 4.002 . 0 0 "[ . 1 . 2]" 4
174 1 28 THR MG 1 29 THR H 4.500 . 4.500 3.355 1.942 3.959 . 0 0 "[ . 1 . 2]" 4
175 1 28 THR HB 1 30 LYS H 4.500 . 4.500 3.210 2.679 4.557 0.057 14 0 "[ . 1 . 2]" 4
176 1 29 THR H 1 30 LYS H 4.500 . 4.500 2.723 2.499 2.906 . 0 0 "[ . 1 . 2]" 4
177 1 29 THR H 1 29 THR MG 4.500 . 4.500 2.975 1.744 3.688 . 0 0 "[ . 1 . 2]" 4
178 1 29 THR H 1 52 ILE MD 4.750 . 4.750 3.482 2.610 4.144 . 0 0 "[ . 1 . 2]" 4
179 1 29 THR HA 1 52 ILE MD 4.830 . 4.830 2.309 1.909 3.380 . 0 0 "[ . 1 . 2]" 4
180 1 29 THR HA 1 29 THR MG 3.500 . 3.500 2.610 2.259 3.196 . 0 0 "[ . 1 . 2]" 4
181 1 29 THR HA 1 32 LEU QB 4.960 . 4.960 2.356 1.818 2.790 . 0 0 "[ . 1 . 2]" 4
182 1 29 THR HA 1 32 LEU QD 4.160 . 4.160 3.169 2.468 3.967 . 0 0 "[ . 1 . 2]" 4
183 1 29 THR HB 1 52 ILE MD 5.150 . 5.150 3.951 2.340 4.837 . 0 0 "[ . 1 . 2]" 4
184 1 29 THR HB 1 48 LEU QB 5.230 . 5.230 4.428 2.738 5.579 0.349 17 0 "[ . 1 . 2]" 4
185 1 29 THR HB 1 52 ILE HB 6.000 . 6.000 4.105 1.939 5.831 . 0 0 "[ . 1 . 2]" 4
186 1 29 THR HB 1 52 ILE MG 7.500 3.080 7.500 3.228 1.854 4.296 1.226 9 7 "[* -*. *+1 * . *2]" 4
187 1 29 THR MG 1 52 ILE MG 6.500 2.750 6.500 2.277 1.817 2.958 0.933 10 10 "[ ** .* +** -* ** 2]" 4
188 1 29 THR MG 1 52 ILE MD 4.220 . 4.220 3.479 3.291 3.695 . 0 0 "[ . 1 . 2]" 4
189 1 29 THR MG 1 30 LYS QG 4.500 . 4.500 3.347 2.223 3.786 . 0 0 "[ . 1 . 2]" 4
190 1 29 THR MG 1 30 LYS QD 5.000 . 5.000 3.926 3.214 4.408 . 0 0 "[ . 1 . 2]" 4
191 1 29 THR MG 1 52 ILE HB 5.500 . 5.500 3.155 2.577 3.812 . 0 0 "[ . 1 . 2]" 4
192 1 29 THR MG 1 49 GLN QG 7.500 2.980 7.500 3.118 2.374 3.805 0.606 2 2 "[ + .- 1 . 2]" 4
193 1 29 THR MG 1 49 GLN HA 4.500 . 4.500 2.879 2.203 3.956 . 0 0 "[ . 1 . 2]" 4
194 1 29 THR MG 1 48 LEU QB 5.000 . 5.000 2.801 1.995 4.019 . 0 0 "[ . 1 . 2]" 4
195 1 29 THR MG 1 52 ILE QG 5.340 . 5.340 2.866 1.930 3.699 . 0 0 "[ . 1 . 2]" 4
196 1 30 LYS H 1 30 LYS HA 3.000 . 3.000 2.885 2.862 2.916 . 0 0 "[ . 1 . 2]" 4
197 1 30 LYS H 1 30 LYS QB 3.500 . 3.500 2.368 2.315 2.495 . 0 0 "[ . 1 . 2]" 4
198 1 30 LYS H 1 30 LYS QD 4.000 . 4.000 3.360 2.206 3.728 . 0 0 "[ . 1 . 2]" 4
199 1 30 LYS H 1 30 LYS QG 4.500 . 4.500 2.001 1.787 2.409 . 0 0 "[ . 1 . 2]" 4
200 1 30 LYS HA 1 30 LYS QG 3.000 . 3.000 2.662 2.281 3.332 0.332 4 0 "[ . 1 . 2]" 4
201 1 30 LYS HA 1 30 LYS QD 4.500 . 4.500 2.810 1.968 4.260 . 0 0 "[ . 1 . 2]" 4
202 1 30 LYS HA 1 30 LYS QE 5.500 . 5.500 4.285 3.930 5.489 . 0 0 "[ . 1 . 2]" 4
203 1 30 LYS QB 1 31 GLU H 4.500 . 4.500 2.273 2.126 3.282 . 0 0 "[ . 1 . 2]" 4
204 1 30 LYS QB 1 30 LYS QE 4.500 . 4.500 3.425 2.085 3.733 . 0 0 "[ . 1 . 2]" 4
205 1 30 LYS QE 1 30 LYS QG 3.000 . 3.000 2.141 2.043 2.322 . 0 0 "[ . 1 . 2]" 4
206 1 31 GLU H 1 32 LEU H 3.000 . 3.000 2.755 2.609 2.922 . 0 0 "[ . 1 . 2]" 4
207 1 31 GLU H 1 31 GLU QG 3.500 . 3.500 2.063 1.896 3.924 0.424 5 0 "[ . 1 . 2]" 4
208 1 32 LEU H 1 32 LEU HB2 3.500 . 3.500 2.468 1.929 2.958 . 0 0 "[ . 1 . 2]" 4
209 1 32 LEU H 1 32 LEU HB3 3.000 . 3.000 2.574 1.966 3.532 0.532 4 2 "[ +- 1 . 2]" 4
210 1 32 LEU HA 1 32 LEU QD 4.000 . 4.000 2.060 1.771 2.940 . 0 0 "[ . 1 . 2]" 4
211 1 32 LEU HA 1 36 MET QB 5.000 . 5.000 4.723 4.002 5.297 0.297 4 0 "[ . 1 . 2]" 4
212 1 32 LEU HB2 1 33 GLY H 4.500 . 4.500 3.502 2.643 3.897 . 0 0 "[ . 1 . 2]" 4
213 1 32 LEU HB3 1 33 GLY H 4.500 . 4.500 2.600 1.952 3.791 . 0 0 "[ . 1 . 2]" 4
214 1 32 LEU QD 1 33 GLY H 5.500 . 5.500 3.119 1.948 4.076 . 0 0 "[ . 1 . 2]" 4
215 1 32 LEU QD 1 35 VAL HB 5.000 . 5.000 3.683 2.036 4.401 . 0 0 "[ . 1 . 2]" 4
216 1 32 LEU QD 1 36 MET QG 5.000 . 5.000 2.858 1.644 3.904 . 0 0 "[ . 1 . 2]" 4
217 1 32 LEU QD 1 36 MET ME 5.000 . 5.000 2.465 1.624 3.741 . 0 0 "[ . 1 . 2]" 4
218 1 33 GLY H 1 34 THR H 4.500 . 4.500 2.891 2.775 2.978 . 0 0 "[ . 1 . 2]" 4
219 1 33 GLY H 1 48 LEU QD 4.500 . 4.500 3.343 2.409 3.898 . 0 0 "[ . 1 . 2]" 4
220 1 33 GLY HA3 1 37 ARG HD2 4.500 . 4.500 4.302 3.618 5.391 0.891 1 5 "[+* . 1 * .* -2]" 4
221 1 33 GLY HA3 1 37 ARG QB 5.500 . 5.500 4.838 4.205 5.392 . 0 0 "[ . 1 . 2]" 4
222 1 33 GLY HA3 1 48 LEU QD 4.500 . 4.500 2.746 2.121 2.964 . 0 0 "[ . 1 . 2]" 4
223 1 33 GLY HA2 1 48 LEU QD 4.500 . 4.500 2.386 1.904 2.672 . 0 0 "[ . 1 . 2]" 4
224 1 34 THR H 1 34 THR HA 3.000 . 3.000 2.862 2.847 2.886 . 0 0 "[ . 1 . 2]" 4
225 1 34 THR H 1 34 THR HB 3.000 . 3.000 2.518 2.484 2.594 . 0 0 "[ . 1 . 2]" 4
226 1 34 THR H 1 34 THR MG 4.500 . 4.500 3.707 3.699 3.716 . 0 0 "[ . 1 . 2]" 4
227 1 34 THR H 1 37 ARG HD2 5.000 . 5.000 4.534 3.953 5.760 0.760 1 4 "[+* . 1 .* -2]" 4
228 1 34 THR H 1 35 VAL QG 5.500 . 5.500 4.545 3.780 4.781 . 0 0 "[ . 1 . 2]" 4
229 1 34 THR H 1 48 LEU QD 5.500 . 5.500 4.700 4.123 4.897 . 0 0 "[ . 1 . 2]" 4
230 1 34 THR HB 1 35 VAL QG 5.500 . 5.500 4.168 3.610 4.356 . 0 0 "[ . 1 . 2]" 4
231 1 34 THR HA 1 37 ARG HD3 4.000 . 4.000 3.774 2.342 4.252 0.252 10 0 "[ . 1 . 2]" 4
232 1 34 THR HA 1 37 ARG QB 3.500 . 3.500 2.507 2.305 2.648 . 0 0 "[ . 1 . 2]" 4
233 1 34 THR MG 1 35 VAL HA 5.000 . 5.000 3.679 3.531 3.799 . 0 0 "[ . 1 . 2]" 4
234 1 34 THR MG 1 37 ARG QB 5.500 . 5.500 3.742 3.427 3.906 . 0 0 "[ . 1 . 2]" 4
235 1 34 THR MG 1 35 VAL HB 5.500 . 5.500 4.663 4.399 5.033 . 0 0 "[ . 1 . 2]" 4
236 1 34 THR HA 1 37 ARG HD2 4.500 . 4.500 2.909 1.991 3.896 . 0 0 "[ . 1 . 2]" 4
237 1 34 THR MG 1 35 VAL H 6.000 . 6.000 3.515 3.393 3.618 . 0 0 "[ . 1 . 2]" 4
238 1 34 THR HA 1 34 THR MG 3.000 . 3.000 2.291 2.211 2.391 . 0 0 "[ . 1 . 2]" 4
239 1 35 VAL H 1 36 MET H 4.500 . 4.500 2.965 2.870 3.094 . 0 0 "[ . 1 . 2]" 4
240 1 35 VAL H 1 35 VAL HA 3.000 . 3.000 2.864 2.847 2.886 . 0 0 "[ . 1 . 2]" 4
241 1 35 VAL H 1 35 VAL HB 3.500 . 3.500 2.126 1.988 2.813 . 0 0 "[ . 1 . 2]" 4
242 1 35 VAL HB 1 36 MET HA 5.500 . 5.500 5.402 4.762 5.611 0.111 1 0 "[ . 1 . 2]" 4
243 1 35 VAL HB 1 36 MET ME 5.500 . 5.500 4.245 3.650 4.710 . 0 0 "[ . 1 . 2]" 4
244 1 35 VAL QG 1 36 MET HA 5.500 . 5.500 2.856 2.788 3.055 . 0 0 "[ . 1 . 2]" 4
245 1 35 VAL QG 1 36 MET QB 5.000 . 5.000 3.108 2.640 3.422 . 0 0 "[ . 1 . 2]" 4
246 1 35 VAL QG 1 38 SER H 5.500 . 5.500 4.352 4.179 4.556 . 0 0 "[ . 1 . 2]" 4
247 1 36 MET H 1 36 MET HA 3.000 . 3.000 2.811 2.772 2.841 . 0 0 "[ . 1 . 2]" 4
248 1 36 MET H 1 36 MET ME 5.500 . 5.500 3.106 2.454 3.759 . 0 0 "[ . 1 . 2]" 4
249 1 36 MET HA 1 36 MET QG 3.500 . 3.500 2.459 1.925 2.807 . 0 0 "[ . 1 . 2]" 4
250 1 36 MET HA 1 36 MET ME 5.500 2.500 5.500 2.862 1.992 3.330 0.508 6 1 "[ .+ 1 . 2]" 4
251 1 36 MET HA 1 39 LEU HG 3.500 . 3.500 2.695 1.859 4.235 0.735 5 4 "[ + 1 .** -2]" 4
252 1 36 MET HA 1 39 LEU QD 3.500 . 3.500 1.815 1.696 1.916 . 0 0 "[ . 1 . 2]" 4
253 1 36 MET QB 1 36 MET ME 3.500 . 3.500 3.106 1.862 3.642 0.142 20 0 "[ . 1 . 2]" 4
254 1 36 MET QB 1 39 LEU QD 4.000 . 4.000 2.858 1.964 3.207 . 0 0 "[ . 1 . 2]" 4
255 1 36 MET QG 1 39 LEU QD 4.500 . 4.500 2.626 1.753 3.444 . 0 0 "[ . 1 . 2]" 4
256 1 36 MET ME 1 39 LEU HG 5.500 . 5.500 4.311 3.725 4.906 . 0 0 "[ . 1 . 2]" 4
257 1 36 MET ME 1 39 LEU QD 5.500 . 5.500 2.365 1.891 2.687 0.109 8 0 "[ . 1 . 2]" 4
258 1 37 ARG H 1 38 SER H 4.000 . 4.000 2.701 2.631 2.811 . 0 0 "[ . 1 . 2]" 4
259 1 37 ARG H 1 37 ARG QB 3.500 . 3.500 2.206 2.160 2.257 . 0 0 "[ . 1 . 2]" 4
260 1 37 ARG H 1 37 ARG HD3 4.500 . 4.500 4.826 3.855 5.041 0.541 12 2 "[ . 1 + . -2]" 4
261 1 37 ARG HA 1 37 ARG HD3 5.500 . 5.500 4.455 4.314 4.727 . 0 0 "[ . 1 . 2]" 4
262 1 37 ARG HA 1 37 ARG HD2 4.500 . 4.500 4.504 4.256 4.750 0.250 4 0 "[ . 1 . 2]" 4
263 1 37 ARG QB 1 38 SER H 4.000 . 4.000 2.467 2.303 2.575 . 0 0 "[ . 1 . 2]" 4
264 1 37 ARG QB 1 37 ARG HD2 3.000 . 3.000 2.392 2.278 3.301 0.301 4 0 "[ . 1 . 2]" 4
265 1 38 SER H 1 39 LEU H 3.500 . 3.500 2.740 2.568 2.873 . 0 0 "[ . 1 . 2]" 4
266 1 38 SER H 1 38 SER HA 3.000 . 3.000 2.849 2.812 2.881 . 0 0 "[ . 1 . 2]" 4
267 1 38 SER H 1 38 SER QB 3.500 . 3.500 2.315 2.133 2.566 . 0 0 "[ . 1 . 2]" 4
268 1 38 SER H 1 39 LEU QD 5.500 . 5.500 3.972 2.969 4.653 . 0 0 "[ . 1 . 2]" 4
269 1 38 SER QB 1 39 LEU H 4.000 . 4.000 3.001 2.574 3.712 . 0 0 "[ . 1 . 2]" 4
270 1 39 LEU H 1 40 GLY H 4.500 . 4.500 2.566 2.188 2.788 . 0 0 "[ . 1 . 2]" 4
271 1 39 LEU H 1 39 LEU HA 3.000 . 3.000 2.954 2.839 3.000 0.000 20 0 "[ . 1 . 2]" 4
272 1 39 LEU H 1 39 LEU QB 3.500 . 3.500 2.727 1.935 3.236 . 0 0 "[ . 1 . 2]" 4
273 1 39 LEU H 1 39 LEU HG 4.000 . 4.000 2.525 1.660 4.373 0.373 16 0 "[ . 1 . 2]" 4
274 1 39 LEU H 1 39 LEU QD 4.500 . 4.500 2.529 1.767 3.006 . 0 0 "[ . 1 . 2]" 4
275 1 39 LEU HA 1 40 GLY H 3.000 . 3.000 3.208 2.942 3.556 0.556 17 4 "[ * -1 . + *2]" 4
276 1 39 LEU QB 1 40 GLY H 3.500 . 3.500 3.614 2.346 4.063 0.563 6 11 "[ ** .+* -***** *]" 4
277 1 39 LEU QD 1 40 GLY H 5.500 . 5.500 3.335 2.624 4.108 . 0 0 "[ . 1 . 2]" 4
278 1 41 GLN H 1 42 ASN H 5.500 . 5.500 3.814 2.063 4.723 . 0 0 "[ . 1 . 2]" 4
279 1 41 GLN H 1 41 GLN HA 3.000 . 3.000 2.829 2.353 3.006 0.006 10 0 "[ . 1 . 2]" 4
280 1 41 GLN HA 1 41 GLN QG 3.000 . 3.000 2.444 2.292 3.316 0.316 17 0 "[ . 1 . 2]" 4
281 1 41 GLN QB 1 42 ASN H 4.500 . 4.500 2.862 1.919 3.970 . 0 0 "[ . 1 . 2]" 4
282 1 42 ASN H 1 42 ASN HA 3.000 . 3.000 2.913 2.362 3.004 0.004 18 0 "[ . 1 . 2]" 4
283 1 42 ASN H 1 42 ASN QB 3.500 . 3.500 2.604 1.979 3.183 . 0 0 "[ . 1 . 2]" 4
284 1 42 ASN H 1 43 PRO HA 5.500 . 5.500 4.739 4.246 5.513 0.013 12 0 "[ . 1 . 2]" 4
285 1 42 ASN H 1 43 PRO HD2 4.500 . 4.500 4.184 2.939 4.835 0.335 16 0 "[ . 1 . 2]" 4
286 1 42 ASN H 1 43 PRO HD3 4.500 . 4.500 3.553 2.384 5.182 0.682 11 2 "[ . 1+ .- 2]" 4
287 1 42 ASN H 1 43 PRO QD 4.000 . 4.000 3.341 2.287 4.429 0.429 16 0 "[ . 1 . 2]" 4
288 1 43 PRO HA 1 44 THR H 3.500 . 3.500 2.393 2.215 2.634 . 0 0 "[ . 1 . 2]" 4
289 1 43 PRO QB 1 44 THR H 4.000 . 4.000 2.787 2.310 3.358 . 0 0 "[ . 1 . 2]" 4
290 1 44 THR H 1 44 THR HA 3.000 . 3.000 2.950 2.845 2.992 . 0 0 "[ . 1 . 2]" 4
291 1 44 THR H 1 44 THR HB 3.000 . 3.000 3.003 2.445 3.642 0.642 20 9 "[** . ** *- * *+]" 4
292 1 44 THR HA 1 45 GLU H 3.500 . 3.500 2.384 2.254 2.550 . 0 0 "[ . 1 . 2]" 4
293 1 44 THR HA 1 46 ALA H 5.000 . 5.000 4.313 4.109 4.584 . 0 0 "[ . 1 . 2]" 4
294 1 44 THR HB 1 45 GLU H 4.000 . 4.000 3.336 2.477 4.061 0.061 12 0 "[ . 1 . 2]" 4
295 1 44 THR HB 1 46 ALA H 4.000 . 4.000 3.465 2.978 4.577 0.577 18 2 "[ . -1 . + 2]" 4
296 1 44 THR HB 1 47 GLU H 4.500 . 4.500 3.455 2.299 4.619 0.119 5 0 "[ . 1 . 2]" 4
297 1 44 THR MG 1 45 GLU H 4.000 . 4.000 3.166 1.960 3.942 . 0 0 "[ . 1 . 2]" 4
298 1 45 GLU H 1 46 ALA H 4.000 . 4.000 2.815 2.665 2.950 . 0 0 "[ . 1 . 2]" 4
299 1 45 GLU H 1 45 GLU HA 3.000 . 3.000 2.827 2.791 2.868 . 0 0 "[ . 1 . 2]" 4
300 1 45 GLU H 1 45 GLU QG 4.000 . 4.000 2.669 1.962 3.922 . 0 0 "[ . 1 . 2]" 4
301 1 45 GLU HA 1 47 GLU H 4.500 . 4.500 4.562 4.378 4.838 0.338 2 0 "[ . 1 . 2]" 4
302 1 45 GLU QG 1 46 ALA H 4.500 . 4.500 3.429 2.038 4.138 . 0 0 "[ . 1 . 2]" 4
303 1 46 ALA H 1 47 GLU H 4.000 . 4.000 2.722 2.546 2.871 . 0 0 "[ . 1 . 2]" 4
304 1 46 ALA H 1 46 ALA HA 3.000 . 3.000 2.869 2.848 2.915 . 0 0 "[ . 1 . 2]" 4
305 1 46 ALA H 1 46 ALA MB 3.500 . 3.500 2.061 1.946 2.158 . 0 0 "[ . 1 . 2]" 4
306 1 46 ALA MB 1 47 GLU H 4.000 . 4.000 2.422 2.228 2.630 . 0 0 "[ . 1 . 2]" 4
307 1 47 GLU H 1 48 LEU H 4.000 . 4.000 2.653 2.589 2.748 . 0 0 "[ . 1 . 2]" 4
308 1 47 GLU H 1 47 GLU QB 3.500 . 3.500 2.260 2.170 2.335 . 0 0 "[ . 1 . 2]" 4
309 1 47 GLU H 1 47 GLU QG 4.500 . 4.500 2.820 2.023 3.929 . 0 0 "[ . 1 . 2]" 4
310 1 47 GLU HA 1 47 GLU QG 3.000 . 3.000 2.499 2.317 2.863 . 0 0 "[ . 1 . 2]" 4
311 1 47 GLU HA 1 50 ASP QB 3.500 . 3.500 2.443 2.195 2.825 . 0 0 "[ . 1 . 2]" 4
312 1 47 GLU HA 1 50 ASP H 4.000 . 4.000 3.389 3.238 3.547 . 0 0 "[ . 1 . 2]" 4
313 1 47 GLU QB 1 48 LEU QB 5.000 . 5.000 4.319 3.902 4.503 . 0 0 "[ . 1 . 2]" 4
314 1 47 GLU QG 1 48 LEU H 4.500 . 4.500 3.910 3.608 4.130 . 0 0 "[ . 1 . 2]" 4
315 1 48 LEU H 1 48 LEU HA 3.000 . 3.000 2.855 2.836 2.878 . 0 0 "[ . 1 . 2]" 4
316 1 48 LEU H 1 48 LEU QD 4.500 . 4.500 3.043 2.664 3.534 . 0 0 "[ . 1 . 2]" 4
317 1 49 GLN H 1 49 GLN HA 3.000 . 3.000 2.867 2.839 2.878 . 0 0 "[ . 1 . 2]" 4
318 1 49 GLN HA 1 52 ILE MG 5.500 . 5.500 1.901 1.833 1.992 . 0 0 "[ . 1 . 2]" 4
319 1 49 GLN HA 1 51 MET H 5.500 . 5.500 5.092 4.843 5.244 . 0 0 "[ . 1 . 2]" 4
320 1 49 GLN HA 1 49 GLN QE 5.000 . 5.000 4.693 4.435 4.846 . 0 0 "[ . 1 . 2]" 4
321 1 49 GLN QG 1 52 ILE MG 7.000 3.000 7.000 3.384 3.063 3.544 . 0 0 "[ . 1 . 2]" 4
322 1 50 ASP H 1 51 MET H 4.500 . 4.500 2.812 2.654 2.935 . 0 0 "[ . 1 . 2]" 4
323 1 50 ASP H 1 50 ASP HA 3.000 . 3.000 2.897 2.874 2.930 . 0 0 "[ . 1 . 2]" 4
324 1 50 ASP H 1 51 MET ME 4.500 . 4.500 4.490 4.237 4.664 0.164 14 0 "[ . 1 . 2]" 4
325 1 50 ASP H 1 50 ASP QB 3.500 . 3.500 2.245 2.147 2.285 . 0 0 "[ . 1 . 2]" 4
326 1 50 ASP QB 1 52 ILE MG 7.500 . 7.500 4.721 4.669 4.777 . 0 0 "[ . 1 . 2]" 4
327 1 51 MET H 1 53 ASN H 5.000 . 5.000 4.285 4.077 4.458 . 0 0 "[ . 1 . 2]" 4
328 1 51 MET H 1 52 ILE MG 4.500 . 4.500 3.999 3.835 4.144 . 0 0 "[ . 1 . 2]" 4
329 1 51 MET H 1 51 MET HG2 4.500 . 4.500 3.540 2.318 4.407 . 0 0 "[ . 1 . 2]" 4
330 1 51 MET H 1 51 MET HG3 4.500 . 4.500 3.351 1.895 4.566 0.066 3 0 "[ . 1 . 2]" 4
331 1 51 MET H 1 51 MET QG 3.500 . 3.500 2.951 1.868 3.972 0.472 1 0 "[ . 1 . 2]" 4
332 1 51 MET HA 1 53 ASN H 4.500 . 4.500 4.612 4.423 4.823 0.323 2 0 "[ . 1 . 2]" 4
333 1 52 ILE HA 1 52 ILE MD 4.500 . 4.500 2.065 1.825 2.597 . 0 0 "[ . 1 . 2]" 4
334 1 52 ILE MG 1 53 ASN H 4.000 . 4.000 1.857 1.806 1.998 . 0 0 "[ . 1 . 2]" 4
335 1 52 ILE MG 1 53 ASN QB 6.500 . 6.500 2.986 2.651 3.373 . 0 0 "[ . 1 . 2]" 4
336 1 52 ILE MG 1 53 ASN QD 7.500 3.500 7.500 3.560 1.869 3.764 1.631 11 1 "[ . 1+ . 2]" 4
337 1 52 ILE MD 1 55 VAL H 5.000 . 5.000 4.743 3.910 4.927 . 0 0 "[ . 1 . 2]" 4
338 1 52 ILE QG 1 63 ILE QG 6.500 . 6.500 3.024 2.286 4.391 . 0 0 "[ . 1 . 2]" 4
339 1 52 ILE MD 1 63 ILE QG 4.000 . 4.000 2.185 1.730 2.966 . 0 0 "[ . 1 . 2]" 4
340 1 53 ASN H 1 54 GLU H 5.500 . 5.500 2.680 2.539 2.880 . 0 0 "[ . 1 . 2]" 4
341 1 53 ASN H 1 53 ASN HA 3.000 . 3.000 2.882 2.823 2.937 . 0 0 "[ . 1 . 2]" 4
342 1 53 ASN H 1 53 ASN QB 3.500 . 3.500 2.298 2.053 2.496 . 0 0 "[ . 1 . 2]" 4
343 1 53 ASN H 1 53 ASN QD 5.000 . 5.000 3.507 2.455 3.887 . 0 0 "[ . 1 . 2]" 4
344 1 53 ASN QB 1 54 GLU H 4.500 . 4.500 3.324 2.665 3.874 . 0 0 "[ . 1 . 2]" 4
345 1 54 GLU H 1 55 VAL H 3.500 . 3.500 2.583 2.379 2.947 . 0 0 "[ . 1 . 2]" 4
346 1 54 GLU H 1 54 GLU HA 3.000 . 3.000 2.924 2.827 2.975 . 0 0 "[ . 1 . 2]" 4
347 1 54 GLU H 1 54 GLU QG 4.500 . 4.500 3.158 1.894 3.962 . 0 0 "[ . 1 . 2]" 4
348 1 54 GLU QG 1 55 VAL HB 5.500 . 5.500 3.318 2.989 4.226 . 0 0 "[ . 1 . 2]" 4
349 1 54 GLU QG 1 55 VAL H 4.500 . 4.500 2.806 2.169 3.416 . 0 0 "[ . 1 . 2]" 4
350 1 54 GLU QG 1 55 VAL QG 4.500 . 4.500 3.355 2.227 3.704 . 0 0 "[ . 1 . 2]" 4
351 1 55 VAL H 1 56 ASP H 3.500 . 3.500 2.839 2.483 4.369 0.869 19 2 "[ . 1 . -+2]" 4
352 1 55 VAL H 1 55 VAL HB 3.500 . 3.500 2.733 2.461 3.090 . 0 0 "[ . 1 . 2]" 4
353 1 55 VAL H 1 55 VAL MG1 4.500 . 4.500 1.834 1.627 3.685 . 0 0 "[ . 1 . 2]" 4
354 1 55 VAL H 1 55 VAL MG2 4.500 . 4.500 3.598 1.882 3.714 . 0 0 "[ . 1 . 2]" 4
355 1 55 VAL H 1 63 ILE MD 4.000 . 4.000 4.105 3.285 4.307 0.307 4 0 "[ . 1 . 2]" 4
356 1 55 VAL H 1 63 ILE MG 5.000 . 5.000 4.982 4.903 5.231 0.231 7 0 "[ . 1 . 2]" 4
357 1 55 VAL H 1 63 ILE QG 4.000 . 4.000 4.351 4.121 4.499 0.499 7 0 "[ . 1 . 2]" 4
358 1 55 VAL HA 1 63 ILE MD 5.500 . 5.500 4.455 3.673 4.751 . 0 0 "[ . 1 . 2]" 4
359 1 55 VAL QG 1 56 ASP H 4.500 . 4.500 2.842 2.088 3.282 . 0 0 "[ . 1 . 2]" 4
360 1 55 VAL QG 1 56 ASP HA 5.000 . 5.000 3.373 3.145 3.688 . 0 0 "[ . 1 . 2]" 4
361 1 55 VAL QG 1 56 ASP QB 5.500 . 5.500 3.160 2.584 3.642 . 0 0 "[ . 1 . 2]" 4
362 1 55 VAL QG 1 63 ILE HA 7.500 3.000 7.500 4.018 3.810 4.189 . 0 0 "[ . 1 . 2]" 4
363 1 55 VAL QG 1 63 ILE MG 6.000 . 6.000 1.945 1.732 2.267 0.268 16 0 "[ . 1 . 2]" 4
364 1 55 VAL QG 1 68 PHE HA 6.000 . 6.000 3.446 2.970 3.862 . 0 0 "[ . 1 . 2]" 4
365 1 56 ASP H 1 56 ASP HA 3.000 . 3.000 2.954 2.801 2.993 . 0 0 "[ . 1 . 2]" 4
366 1 56 ASP HA 1 63 ILE QG 5.500 . 5.500 3.553 2.876 4.270 . 0 0 "[ . 1 . 2]" 4
367 1 56 ASP HB2 1 57 ALA H 5.500 . 5.500 4.031 2.156 4.644 . 0 0 "[ . 1 . 2]" 4
368 1 56 ASP HB3 1 57 ALA H 5.500 . 5.500 4.025 2.861 4.485 . 0 0 "[ . 1 . 2]" 4
369 1 56 ASP QB 1 63 ILE QG 6.500 . 6.500 2.728 1.897 3.886 . 0 0 "[ . 1 . 2]" 4
370 1 56 ASP QB 1 63 ILE MD 6.500 . 6.500 3.988 2.296 4.370 . 0 0 "[ . 1 . 2]" 4
371 1 56 ASP HA 1 57 ALA H 3.500 . 3.500 2.441 2.153 3.517 0.017 19 0 "[ . 1 . 2]" 4
372 1 57 ALA H 1 57 ALA HA 3.000 . 3.000 2.826 2.333 2.997 . 0 0 "[ . 1 . 2]" 4
373 1 57 ALA H 1 57 ALA MB 3.500 . 3.500 2.199 1.950 2.884 . 0 0 "[ . 1 . 2]" 4
374 1 57 ALA HA 1 59 GLY H 5.000 . 5.000 4.319 3.851 4.673 . 0 0 "[ . 1 . 2]" 4
375 1 57 ALA MB 1 58 ASP H 3.500 . 3.500 2.104 1.883 2.959 . 0 0 "[ . 1 . 2]" 4
376 1 57 ALA MB 1 59 GLY H 5.500 . 5.500 4.055 3.858 4.764 . 0 0 "[ . 1 . 2]" 4
377 1 58 ASP H 1 59 GLY H 3.500 . 3.500 2.677 2.504 3.312 . 0 0 "[ . 1 . 2]" 4
378 1 57 ALA HA 1 58 ASP H 4.000 . 4.000 3.526 2.280 3.626 . 0 0 "[ . 1 . 2]" 4
379 1 58 ASP H 1 58 ASP HA 3.000 . 3.000 2.847 2.373 2.950 . 0 0 "[ . 1 . 2]" 4
380 1 58 ASP H 1 58 ASP HB2 4.000 . 4.000 3.517 2.445 3.951 . 0 0 "[ . 1 . 2]" 4
381 1 58 ASP H 1 58 ASP HB3 4.000 . 4.000 2.568 2.283 3.542 . 0 0 "[ . 1 . 2]" 4
382 1 58 ASP HB3 1 59 GLY H 4.500 . 4.500 3.972 3.413 4.338 . 0 0 "[ . 1 . 2]" 4
383 1 59 GLY H 1 60 ASN H 3.500 . 3.500 3.438 2.333 4.564 1.064 3 9 "[ *+ .* *-** . * *2]" 4
384 1 60 ASN H 1 61 GLY H 4.000 . 4.000 2.595 2.233 2.933 . 0 0 "[ . 1 . 2]" 4
385 1 60 ASN H 1 61 GLY QA 4.500 . 4.500 4.476 4.151 4.749 0.249 11 0 "[ . 1 . 2]" 4
386 1 60 ASN H 1 60 ASN HA 3.000 . 3.000 2.651 2.336 2.968 . 0 0 "[ . 1 . 2]" 4
387 1 60 ASN H 1 60 ASN HB2 3.500 . 3.500 3.626 2.513 3.926 0.426 10 0 "[ . 1 . 2]" 4
388 1 60 ASN H 1 60 ASN HB3 3.500 . 3.500 3.127 2.431 4.125 0.625 19 4 "[ *.* 1 - . +2]" 4
389 1 60 ASN HA 1 61 GLY H 5.500 . 5.500 3.221 2.971 3.360 . 0 0 "[ . 1 . 2]" 4
390 1 61 GLY H 1 62 THR H 3.500 . 3.500 2.736 2.285 3.389 . 0 0 "[ . 1 . 2]" 4
391 1 62 THR H 1 62 THR HA 3.000 . 3.000 2.939 2.915 2.977 . 0 0 "[ . 1 . 2]" 4
392 1 56 ASP HA 1 62 THR H 5.500 . 5.500 5.201 4.281 6.546 1.046 4 3 "[ - +. 1 .* 2]" 4
393 1 61 GLY HA2 1 62 THR H 4.000 . 4.000 2.986 2.759 3.104 . 0 0 "[ . 1 . 2]" 4
394 1 61 GLY HA3 1 62 THR H 4.000 . 4.000 3.582 3.520 3.668 . 0 0 "[ . 1 . 2]" 4
395 1 62 THR H 1 62 THR HB 4.000 . 4.000 3.000 2.714 3.809 . 0 0 "[ . 1 . 2]" 4
396 1 59 GLY QA 1 62 THR H 4.000 . 4.000 4.362 3.895 4.652 0.652 17 1 "[ . 1 . + 2]" 4
397 1 62 THR H 1 62 THR MG 4.100 . 4.100 3.548 2.216 3.937 . 0 0 "[ . 1 . 2]" 4
398 1 62 THR HA 1 63 ILE MD 4.870 . 4.870 4.624 4.042 4.958 0.088 18 0 "[ . 1 . 2]" 4
399 1 62 THR HA 1 62 THR MG 3.200 . 3.200 2.539 2.075 3.208 0.008 20 0 "[ . 1 . 2]" 4
400 1 62 THR MG 1 63 ILE H 4.110 . 4.110 2.655 1.950 3.773 . 0 0 "[ . 1 . 2]" 4
401 1 62 THR HB 1 63 ILE H . . 3.500 3.911 2.618 4.218 0.718 18 11 "[ *. ****-** +**]" 4
402 1 63 ILE H 1 63 ILE HA 3.000 . 3.000 3.005 2.981 3.015 0.015 15 0 "[ . 1 . 2]" 4
403 1 63 ILE H 1 63 ILE HB 4.000 . 4.000 2.925 2.623 3.112 . 0 0 "[ . 1 . 2]" 4
404 1 62 THR HA 1 63 ILE H 3.000 . 3.000 2.375 2.271 2.459 . 0 0 "[ . 1 . 2]" 4
405 1 63 ILE H 1 63 ILE QG 5.000 . 5.000 2.034 1.838 2.455 . 0 0 "[ . 1 . 2]" 4
406 1 63 ILE HA 1 64 ASP H 2.500 . 2.500 2.262 2.162 2.352 . 0 0 "[ . 1 . 2]" 4
407 1 63 ILE HA 1 63 ILE MG 3.500 . 3.500 2.148 1.979 2.304 . 0 0 "[ . 1 . 2]" 4
408 1 63 ILE HB 1 64 ASP H 4.500 . 4.500 3.690 3.279 4.166 . 0 0 "[ . 1 . 2]" 4
409 1 63 ILE MD 1 68 PHE QD 5.000 . 5.000 2.825 1.963 4.040 . 0 0 "[ . 1 . 2]" 4
410 1 63 ILE QG 1 64 ASP H 4.500 . 4.500 4.455 4.245 4.668 0.168 14 0 "[ . 1 . 2]" 4
411 1 63 ILE MD 1 63 ILE MG 4.000 . 4.000 1.916 1.645 2.140 . 0 0 "[ . 1 . 2]" 4
412 1 63 ILE MG 1 68 PHE QD 5.000 . 5.000 2.082 1.834 2.595 . 0 0 "[ . 1 . 2]" 4
413 1 63 ILE MG 1 67 GLU QB 5.500 . 5.500 3.047 2.368 4.460 . 0 0 "[ . 1 . 2]" 4
414 1 63 ILE MG 1 68 PHE QE 7.500 . 7.500 3.756 3.307 4.394 . 0 0 "[ . 1 . 2]" 4
415 1 63 ILE MG 1 64 ASP H 4.500 . 4.500 2.423 1.899 3.395 . 0 0 "[ . 1 . 2]" 4
416 1 63 ILE MG 1 67 GLU QG 6.500 . 6.500 3.743 2.451 4.384 . 0 0 "[ . 1 . 2]" 4
417 1 63 ILE MG 1 68 PHE QB 4.500 . 4.500 1.935 1.707 2.259 . 0 0 "[ . 1 . 2]" 4
418 1 64 ASP H 1 64 ASP HA 3.000 . 3.000 2.973 2.873 3.010 0.010 12 0 "[ . 1 . 2]" 4
419 1 64 ASP H 1 64 ASP HB2 3.500 . 3.500 2.487 2.313 2.630 . 0 0 "[ . 1 . 2]" 4
420 1 64 ASP H 1 64 ASP HB3 3.500 . 3.500 3.685 3.532 3.797 0.297 7 0 "[ . 1 . 2]" 4
421 1 64 ASP H 1 67 GLU QG 5.000 . 5.000 3.376 1.937 3.876 . 0 0 "[ . 1 . 2]" 4
422 1 64 ASP QB 1 65 PHE H 4.500 . 4.500 2.599 2.235 2.867 . 0 0 "[ . 1 . 2]" 4
423 1 64 ASP HA 1 65 PHE H 3.500 . 3.500 2.445 2.365 2.596 . 0 0 "[ . 1 . 2]" 4
424 1 65 PHE H 1 65 PHE HA 3.000 . 3.000 2.824 2.767 2.904 . 0 0 "[ . 1 . 2]" 4
425 1 65 PHE H 1 65 PHE HB2 3.500 . 3.500 2.091 2.007 2.313 . 0 0 "[ . 1 . 2]" 4
426 1 65 PHE H 1 65 PHE HB3 3.500 . 3.500 2.951 2.704 3.114 . 0 0 "[ . 1 . 2]" 4
427 1 65 PHE H 1 66 PRO QD 4.500 . 4.500 2.166 1.922 2.323 . 0 0 "[ . 1 . 2]" 4
428 1 65 PHE H 1 65 PHE QD 5.500 . 5.500 3.741 3.429 4.058 . 0 0 "[ . 1 . 2]" 4
429 1 65 PHE H 1 65 PHE QE 5.500 . 5.500 5.888 5.649 6.133 0.633 10 5 "[ * . + * * - 2]" 4
430 1 65 PHE QD 1 69 LEU HG 5.500 . 5.500 3.701 2.754 4.250 . 0 0 "[ . 1 . 2]" 4
431 1 65 PHE QE 1 69 LEU HA 6.500 . 6.500 6.615 6.077 6.993 0.493 7 0 "[ . 1 . 2]" 4
432 1 66 PRO HA 1 69 LEU H 4.000 . 4.000 3.842 3.600 4.116 0.116 16 0 "[ . 1 . 2]" 4
433 1 66 PRO QB 1 69 LEU H 5.500 . 5.500 5.253 5.016 5.452 . 0 0 "[ . 1 . 2]" 4
434 1 67 GLU HA 1 69 LEU H 5.000 . 5.000 4.868 4.631 5.117 0.117 10 0 "[ . 1 . 2]" 4
435 1 67 GLU H 1 69 LEU H 4.500 . 4.500 4.355 4.079 4.753 0.253 10 0 "[ . 1 . 2]" 4
436 1 68 PHE H 1 68 PHE QD 5.500 . 5.500 4.119 4.076 4.149 . 0 0 "[ . 1 . 2]" 4
437 1 68 PHE QE 1 69 LEU HA 5.500 . 5.500 4.944 4.504 5.529 0.029 5 0 "[ . 1 . 2]" 4
438 1 68 PHE QD 1 69 LEU HA 4.500 . 4.500 3.736 3.053 4.486 . 0 0 "[ . 1 . 2]" 4
439 1 68 PHE HA 1 69 LEU QD 7.500 . 7.500 4.523 4.161 4.773 . 0 0 "[ . 1 . 2]" 4
440 1 68 PHE QD 1 69 LEU QD 7.500 . 7.500 2.283 1.843 3.503 0.157 4 0 "[ . 1 . 2]" 4
441 1 68 PHE QE 1 69 LEU QD 7.500 . 7.500 3.372 2.822 4.344 . 0 0 "[ . 1 . 2]" 4
442 1 67 GLU QB 1 68 PHE H 5.500 . 5.500 2.382 2.111 3.456 . 0 0 "[ . 1 . 2]" 4
443 1 69 LEU H 1 69 LEU QD 4.000 . 4.000 2.471 1.936 2.918 . 0 0 "[ . 1 . 2]" 4
444 1 70 THR HB 1 71 MET QG 5.500 . 5.500 3.890 2.971 5.873 0.373 2 0 "[ . 1 . 2]" 4
445 1 75 LYS H 1 75 LYS QG 4.350 . 4.350 3.062 1.967 4.004 . 0 0 "[ . 1 . 2]" 4
446 1 76 MET ME 1 76 MET HG3 2.900 . 2.900 2.785 2.222 3.325 0.425 7 0 "[ . 1 . 2]" 4
447 1 76 MET ME 1 76 MET HG2 2.900 . 2.900 2.759 2.133 3.333 0.433 18 0 "[ . 1 . 2]" 4
448 1 76 MET HA 1 76 MET ME 3.730 . 3.730 3.336 2.909 3.697 . 0 0 "[ . 1 . 2]" 4
449 1 69 LEU H 1 69 LEU QB 3.500 . 3.500 2.215 2.019 2.411 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 1245.962
_Distance_constraint_stats_list.Viol_max 2.394
_Distance_constraint_stats_list.Viol_rms 0.7973
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5192
_Distance_constraint_stats_list.Viol_average_violations_only 0.8653
_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 93 ASP 24.873 1.754 10 16 "[******** + **.****-]"
1 95 ASP 35.821 2.394 5 20 [****+*******-*******]
1 97 ASN 0.338 0.102 17 0 "[ . 1 . 2]"
1 99 TYR 0.498 0.204 12 0 "[ . 1 . 2]"
1 104 GLU 0.769 0.146 8 0 "[ . 1 . 2]"
5 1 CA 62.298 2.394 5 20 [****+*******-*******]
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 93 ASP OD1 5 1 CA CA 2.600 . 2.600 3.844 2.598 4.354 1.754 10 16 "[******** + **.****-]" 5
2 1 95 ASP OD1 5 1 CA CA 2.600 . 2.600 4.391 3.519 4.994 2.394 5 20 [****+*******-*******] 5
3 1 97 ASN OD1 5 1 CA CA 2.600 . 2.600 2.594 2.520 2.702 0.102 17 0 "[ . 1 . 2]" 5
4 1 99 TYR O 5 1 CA CA 2.600 . 2.600 2.616 2.560 2.804 0.204 12 0 "[ . 1 . 2]" 5
5 1 104 GLU OE1 5 1 CA CA 2.600 . 2.600 2.634 2.572 2.746 0.146 8 0 "[ . 1 . 2]" 5
6 1 104 GLU OE2 5 1 CA CA 2.600 . 2.600 2.571 2.553 2.596 . 0 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 737
_Distance_constraint_stats_list.Viol_count 314
_Distance_constraint_stats_list.Viol_total 1838.817
_Distance_constraint_stats_list.Viol_max 0.880
_Distance_constraint_stats_list.Viol_rms 0.0519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.2928
_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 84 GLU 0.286 0.186 19 0 "[ . 1 . 2]"
1 85 ILE 1.505 0.193 11 0 "[ . 1 . 2]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ARG 0.057 0.030 20 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LYS 9.744 0.880 1 7 "[+ *. - *1 .* * *]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 14.171 0.880 1 12 "[+***. -*** .* ***]"
1 97 ASN 3.909 0.596 4 1 "[ +. 1 . 2]"
1 98 GLY 10.479 0.724 20 10 "[****. *-* . **+]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ALA 0.113 0.113 15 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.003 0.003 14 0 "[ . 1 . 2]"
1 106 ARG 2.576 0.583 9 2 "[ . +1 .- 2]"
1 107 HIS 0.633 0.583 9 1 "[ . +1 . 2]"
1 108 VAL 0.179 0.055 2 0 "[ . 1 . 2]"
1 109 MET 1.806 0.660 8 2 "[- . + 1 . 2]"
1 110 THR 1.089 0.526 10 2 "[ - . + . 2]"
1 111 ASN 1.048 0.526 10 2 "[ - . + . 2]"
1 112 LEU 3.831 0.815 8 1 "[ . + 1 . 2]"
1 113 GLY 3.831 0.815 8 1 "[ . + 1 . 2]"
1 114 GLU 4.730 0.571 1 5 "[+ **. 1 *-. 2]"
1 115 LYS 0.304 0.304 9 0 "[ . 1 . 2]"
1 116 LEU 18.175 0.692 5 12 "[- **+* * 1***** * 2]"
1 117 THR 6.510 0.603 18 9 "[* * ** **- * + 2]"
1 118 ASP 0.851 0.384 10 0 "[ . 1 . 2]"
1 119 GLU 1.212 0.603 18 1 "[ . 1 . + 2]"
1 120 GLU 11.430 0.692 5 11 "[- **+* *** *** 2]"
1 121 VAL 7.680 0.598 12 6 "[ . -**+ * * 2]"
1 122 ASP 1.878 0.516 10 2 "[ . -+ . 2]"
1 123 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ILE 0.067 0.067 2 0 "[ . 1 . 2]"
1 126 ARG 5.520 0.555 5 4 "[ * + 1 *- 2]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ALA 5.626 0.552 3 6 "[ *+ . -1** . *2]"
1 129 ASP 5.504 0.552 3 6 "[ *+ . -1** . *2]"
1 130 ILE 0.928 0.307 20 0 "[ . 1 . 2]"
1 131 ASP 0.005 0.004 9 0 "[ . 1 . 2]"
1 132 GLY 2.063 0.760 10 2 "[ . + . -]"
1 133 ASP 1.092 0.343 20 0 "[ . 1 . 2]"
1 134 GLY 1.801 0.760 10 2 "[ . + . -]"
1 135 GLN 6.512 0.555 5 4 "[ * + 1 *- 2]"
1 136 VAL 0.330 0.044 18 0 "[ . 1 . 2]"
1 137 ASN 2.154 0.371 18 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 GLU 4.671 0.262 4 0 "[ . 1 . 2]"
1 140 GLU 0.588 0.193 17 0 "[ . 1 . 2]"
1 141 PHE 4.063 0.371 18 0 "[ . 1 . 2]"
1 142 VAL 4.051 0.337 17 0 "[ . 1 . 2]"
1 143 GLN 9.314 0.527 17 2 "[ . 1 - . + 2]"
1 144 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 MET 9.687 0.527 17 2 "[ . 1 - . + 2]"
1 146 THR 3.551 0.359 18 0 "[ . 1 . 2]"
1 147 ALA 3.551 0.359 18 0 "[ . 1 . 2]"
1 148 LYS 0.010 0.010 8 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 1 124 MET ME 1 124 MET QG 3.330 . 3.830 2.201 1.991 2.532 . 0 0 "[ . 1 . 2]" 6
2 1 106 ARG HB3 1 107 HIS HA 5.210 . 5.710 4.257 4.204 4.480 . 0 0 "[ . 1 . 2]" 6
3 1 119 GLU HA 1 119 GLU QG 2.870 . 3.370 2.412 2.263 2.816 . 0 0 "[ . 1 . 2]" 6
4 1 102 ALA MB 1 103 ALA HA 5.000 . 5.500 3.834 3.764 3.927 . 0 0 "[ . 1 . 2]" 6
5 1 100 ILE HA 1 104 GLU QB 5.310 . 5.810 3.045 2.786 3.360 . 0 0 "[ . 1 . 2]" 6
6 1 129 ASP HA 1 130 ILE HA 5.500 . 6.000 4.709 4.554 5.390 . 0 0 "[ . 1 . 2]" 6
7 1 87 GLU HA 1 87 GLU QG 2.550 . 3.050 2.417 2.284 2.879 . 0 0 "[ . 1 . 2]" 6
8 1 90 ARG HA 1 90 ARG QD 4.280 . 4.780 4.000 3.913 4.175 . 0 0 "[ . 1 . 2]" 6
9 1 90 ARG HA 1 90 ARG HB3 2.500 . 3.000 2.583 2.515 3.030 0.030 20 0 "[ . 1 . 2]" 6
10 1 91 VAL HA 1 91 VAL MG1 3.400 . 3.900 2.415 2.289 2.571 . 0 0 "[ . 1 . 2]" 6
11 1 106 ARG HA 1 106 ARG HD3 5.500 . 6.000 4.579 3.211 4.697 . 0 0 "[ . 1 . 2]" 6
12 1 108 VAL HA 1 108 VAL MG1 3.580 . 4.080 2.907 2.384 3.227 . 0 0 "[ . 1 . 2]" 6
13 1 120 GLU QB 1 124 MET HA 7.500 . 8.000 6.302 5.865 6.926 . 0 0 "[ . 1 . 2]" 6
14 1 125 ILE HA 1 128 ALA MB 4.870 . 5.370 3.040 2.733 3.675 . 0 0 "[ . 1 . 2]" 6
15 1 126 ARG HA 1 126 ARG QD 4.640 . 5.140 3.926 1.976 4.212 . 0 0 "[ . 1 . 2]" 6
16 1 129 ASP HA 1 129 ASP HB2 2.790 . 3.290 2.782 2.442 3.027 . 0 0 "[ . 1 . 2]" 6
17 1 130 ILE HA 1 130 ILE MG 2.890 . 3.390 2.286 2.108 2.400 . 0 0 "[ . 1 . 2]" 6
18 1 143 GLN HA 1 143 GLN QG 3.500 . 4.000 2.622 2.350 2.908 . 0 0 "[ . 1 . 2]" 6
19 1 106 ARG HB3 1 106 ARG HD2 2.770 . 3.270 3.103 2.964 3.775 0.505 16 1 "[ . 1 .+ 2]" 6
20 1 91 VAL HA 1 91 VAL MG2 3.400 . 3.900 3.215 3.191 3.229 . 0 0 "[ . 1 . 2]" 6
21 1 121 VAL HA 1 121 VAL MG1 3.020 . 3.520 2.402 2.286 2.453 . 0 0 "[ . 1 . 2]" 6
22 1 120 GLU HA 1 120 GLU QB 2.500 . 3.000 2.402 2.360 2.546 . 0 0 "[ . 1 . 2]" 6
23 1 100 ILE MG 1 105 LEU QB 3.850 . 4.350 2.159 1.938 2.446 . 0 0 "[ . 1 . 2]" 6
24 1 100 ILE MG 1 125 ILE MD 6.500 . 7.000 3.548 3.182 3.826 . 0 0 "[ . 1 . 2]" 6
25 1 148 LYS QE 1 148 LYS QG 2.480 . 2.980 2.171 2.106 2.345 . 0 0 "[ . 1 . 2]" 6
26 1 122 ASP HA 1 122 ASP HB2 2.700 . 3.200 2.960 2.517 3.040 . 0 0 "[ . 1 . 2]" 6
27 1 92 PHE QB 1 100 ILE HA 5.500 . 6.000 2.993 2.638 3.358 . 0 0 "[ . 1 . 2]" 6
28 1 85 ILE MD 1 85 ILE MG 3.500 . 4.000 1.942 1.692 2.181 . 0 0 "[ . 1 . 2]" 6
29 1 86 ARG HA 1 86 ARG QD 3.830 . 4.330 3.188 1.954 4.236 . 0 0 "[ . 1 . 2]" 6
30 1 94 LYS HA 1 94 LYS QE 4.640 . 5.140 3.953 3.333 4.757 . 0 0 "[ . 1 . 2]" 6
31 1 104 GLU HA 1 104 GLU QG 2.450 . 2.950 2.380 2.310 2.456 . 0 0 "[ . 1 . 2]" 6
32 1 106 ARG HA 1 106 ARG QG 2.660 . 3.160 2.385 2.331 2.758 . 0 0 "[ . 1 . 2]" 6
33 1 110 THR HA 1 110 THR MG 3.500 . 4.000 2.279 2.158 2.456 . 0 0 "[ . 1 . 2]" 6
34 1 112 LEU HA 1 112 LEU MD1 4.500 . 5.000 3.928 2.556 4.107 . 0 0 "[ . 1 . 2]" 6
35 1 114 GLU QB 1 114 GLU HG3 2.590 . 3.090 2.337 2.196 2.547 . 0 0 "[ . 1 . 2]" 6
36 1 115 LYS HA 1 115 LYS QD 4.640 . 5.140 3.900 2.030 4.272 . 0 0 "[ . 1 . 2]" 6
37 1 116 LEU HB2 1 116 LEU MD1 3.080 . 3.580 2.215 1.997 2.423 . 0 0 "[ . 1 . 2]" 6
38 1 122 ASP HA 1 122 ASP HB3 2.700 . 3.200 2.607 2.524 3.039 . 0 0 "[ . 1 . 2]" 6
39 1 124 MET HA 1 124 MET ME 5.500 . 6.000 3.555 3.101 4.210 . 0 0 "[ . 1 . 2]" 6
40 1 124 MET ME 1 125 ILE HA 7.500 . 8.000 5.900 5.685 6.136 . 0 0 "[ . 1 . 2]" 6
41 1 125 ILE HA 1 125 ILE HG12 3.550 . 4.050 3.348 3.256 3.502 . 0 0 "[ . 1 . 2]" 6
42 1 125 ILE HG12 1 125 ILE MG 3.170 . 3.670 3.158 3.133 3.176 . 0 0 "[ . 1 . 2]" 6
43 1 106 ARG HB3 1 106 ARG HD3 2.770 . 3.270 2.645 2.508 3.689 0.419 20 0 "[ . 1 . 2]" 6
44 1 126 ARG QD 1 126 ARG HG2 2.610 . 3.110 2.332 2.219 2.423 . 0 0 "[ . 1 . 2]" 6
45 1 130 ILE HG12 1 130 ILE MG 3.540 . 4.040 2.210 1.900 3.079 . 0 0 "[ . 1 . 2]" 6
46 1 145 MET HA 1 145 MET ME 4.790 . 5.290 2.816 2.000 3.423 . 0 0 "[ . 1 . 2]" 6
47 1 148 LYS HA 1 148 LYS QD 3.910 . 4.410 3.954 3.907 4.276 . 0 0 "[ . 1 . 2]" 6
48 1 125 ILE HG13 1 125 ILE MG 2.800 . 3.300 2.182 2.048 2.363 . 0 0 "[ . 1 . 2]" 6
49 1 121 VAL HA 1 121 VAL MG2 3.020 . 3.520 2.560 2.278 3.224 . 0 0 "[ . 1 . 2]" 6
50 1 92 PHE HA 1 93 ASP QB 5.170 . 5.670 4.812 4.272 5.465 . 0 0 "[ . 1 . 2]" 6
51 1 106 ARG HA 1 106 ARG HD2 5.500 . 6.000 4.287 1.996 4.783 . 0 0 "[ . 1 . 2]" 6
52 1 92 PHE HA 1 92 PHE QE 5.210 . 5.710 4.249 4.092 4.436 . 0 0 "[ . 1 . 2]" 6
53 1 89 PHE HA 1 92 PHE QE 6.000 . 6.500 3.952 3.370 4.471 . 0 0 "[ . 1 . 2]" 6
54 1 86 ARG QG 1 87 GLU HA 3.980 . 4.480 3.651 3.496 3.894 . 0 0 "[ . 1 . 2]" 6
55 1 100 ILE MG 1 101 SER QB 5.500 . 6.000 4.202 4.048 4.334 . 0 0 "[ . 1 . 2]" 6
56 1 100 ILE MG 1 104 GLU HA 6.500 . 7.000 4.853 4.684 5.072 . 0 0 "[ . 1 . 2]" 6
57 1 100 ILE MG 1 104 GLU QG 6.500 . 7.000 4.503 4.322 4.681 . 0 0 "[ . 1 . 2]" 6
58 1 102 ALA MB 1 125 ILE HB 6.500 . 7.000 4.171 3.756 4.570 . 0 0 "[ . 1 . 2]" 6
59 1 102 ALA MB 1 105 LEU QB 7.500 . 8.000 4.018 3.786 4.250 . 0 0 "[ . 1 . 2]" 6
60 1 100 ILE MG 1 102 ALA MB 7.500 . 8.000 5.262 5.118 5.356 . 0 0 "[ . 1 . 2]" 6
61 1 89 PHE QE 1 138 TYR HA 4.750 . 5.250 2.214 1.845 2.947 . 0 0 "[ . 1 . 2]" 6
62 1 101 SER QB 1 104 GLU QB 4.500 . 5.000 2.700 2.450 2.845 . 0 0 "[ . 1 . 2]" 6
63 1 105 LEU HA 1 108 VAL HB 5.390 . 5.890 2.963 2.266 3.495 . 0 0 "[ . 1 . 2]" 6
64 1 108 VAL HB 1 109 MET HA 5.500 . 6.000 5.196 4.245 5.817 . 0 0 "[ . 1 . 2]" 6
65 1 105 LEU MD1 1 109 MET ME 6.500 . 7.000 3.031 1.997 3.678 0.003 14 0 "[ . 1 . 2]" 6
66 1 105 LEU MD2 1 109 MET ME 4.500 . 5.000 2.829 1.718 3.532 . 0 0 "[ . 1 . 2]" 6
67 1 109 MET ME 1 124 MET ME 4.500 . 5.000 1.686 1.611 1.720 . 0 0 "[ . 1 . 2]" 6
68 1 128 ALA MB 1 143 GLN QB 6.500 . 7.000 4.205 3.459 4.945 . 0 0 "[ . 1 . 2]" 6
69 1 85 ILE HA 1 141 PHE QE 7.500 . 8.000 3.395 2.418 3.848 . 0 0 "[ . 1 . 2]" 6
70 1 85 ILE MG 1 138 TYR QE 6.500 . 7.000 2.329 1.937 5.385 . 0 0 "[ . 1 . 2]" 6
71 1 85 ILE MG 1 141 PHE QE 6.500 . 7.000 1.985 1.807 2.298 0.193 11 0 "[ . 1 . 2]" 6
72 1 88 ALA HA 1 92 PHE QE 6.500 . 7.000 4.204 3.961 4.790 . 0 0 "[ . 1 . 2]" 6
73 1 88 ALA MB 1 89 PHE HA 5.000 . 5.500 3.835 3.767 3.910 . 0 0 "[ . 1 . 2]" 6
74 1 87 GLU QG 1 88 ALA MB 7.000 . 7.500 5.194 4.485 5.385 . 0 0 "[ . 1 . 2]" 6
75 1 89 PHE HA 1 89 PHE QD 3.870 . 4.370 2.535 2.184 2.946 . 0 0 "[ . 1 . 2]" 6
76 1 86 ARG HA 1 89 PHE QB 5.500 . 6.000 2.577 2.332 2.797 . 0 0 "[ . 1 . 2]" 6
77 1 89 PHE QB 1 99 TYR HA 7.500 . 8.000 5.344 4.886 5.835 . 0 0 "[ . 1 . 2]" 6
78 1 89 PHE QB 1 138 TYR QD 7.500 . 8.000 4.045 2.934 6.083 . 0 0 "[ . 1 . 2]" 6
79 1 106 ARG HD2 1 121 VAL MG1 5.500 . 6.000 3.872 2.494 5.244 . 0 0 "[ . 1 . 2]" 6
80 1 106 ARG HD2 1 121 VAL MG2 5.500 . 6.000 3.429 1.922 5.036 . 0 0 "[ . 1 . 2]" 6
81 1 91 VAL MG1 1 92 PHE H 5.000 . 5.500 3.872 3.663 4.028 . 0 0 "[ . 1 . 2]" 6
82 1 91 VAL MG2 1 92 PHE QE 7.500 . 8.000 3.866 2.095 4.330 . 0 0 "[ . 1 . 2]" 6
83 1 94 LYS HA 1 94 LYS HG3 2.760 . 3.260 2.661 2.183 3.704 0.444 1 0 "[ . 1 . 2]" 6
84 1 94 LYS HA 1 94 LYS HG2 3.550 . 4.050 3.379 2.933 3.679 . 0 0 "[ . 1 . 2]" 6
85 1 100 ILE MD 1 136 VAL HB 4.430 . 4.930 3.194 2.741 3.432 . 0 0 "[ . 1 . 2]" 6
86 1 92 PHE QB 1 100 ILE MD 3.490 . 3.990 3.234 3.017 3.429 . 0 0 "[ . 1 . 2]" 6
87 1 89 PHE HA 1 100 ILE MD 6.500 . 7.000 3.635 3.115 4.171 . 0 0 "[ . 1 . 2]" 6
88 1 100 ILE MD 1 141 PHE HB2 5.090 . 5.590 2.498 2.089 2.722 . 0 0 "[ . 1 . 2]" 6
89 1 100 ILE MD 1 105 LEU HA 6.000 . 6.500 4.543 4.234 4.795 . 0 0 "[ . 1 . 2]" 6
90 1 89 PHE QE 1 100 ILE MD 6.500 . 7.000 2.861 1.851 3.328 . 0 0 "[ . 1 . 2]" 6
91 1 100 ILE MG 1 136 VAL HB 5.000 . 5.500 3.116 2.565 3.398 . 0 0 "[ . 1 . 2]" 6
92 1 100 ILE MG 1 105 LEU HA 4.070 . 4.570 2.883 2.605 3.200 . 0 0 "[ . 1 . 2]" 6
93 1 102 ALA HA 1 121 VAL MG1 5.500 . 6.000 3.037 2.071 5.301 . 0 0 "[ . 1 . 2]" 6
94 1 102 ALA HA 1 125 ILE MD 4.290 . 4.790 2.414 2.119 2.766 . 0 0 "[ . 1 . 2]" 6
95 1 102 ALA HA 1 105 LEU QB 3.660 . 4.160 2.672 2.298 2.978 . 0 0 "[ . 1 . 2]" 6
96 1 103 ALA HA 1 106 ARG HB3 3.650 . 4.150 2.909 2.725 4.263 0.113 15 0 "[ . 1 . 2]" 6
97 1 105 LEU MD2 1 109 MET HG2 5.500 . 6.000 4.010 2.078 5.092 . 0 0 "[ . 1 . 2]" 6
98 1 105 LEU MD2 1 124 MET QG 5.500 . 6.000 2.769 1.807 3.902 . 0 0 "[ . 1 . 2]" 6
99 1 105 LEU MD2 1 109 MET HG3 5.500 . 6.000 4.335 2.185 5.401 . 0 0 "[ . 1 . 2]" 6
100 1 125 ILE MG 1 129 ASP HB2 6.500 . 7.000 3.336 1.916 4.823 . 0 0 "[ . 1 . 2]" 6
101 1 125 ILE MG 1 128 ALA MB 6.500 . 7.000 3.762 3.476 4.332 . 0 0 "[ . 1 . 2]" 6
102 1 106 ARG HA 1 121 VAL MG1 6.000 . 6.500 4.116 2.744 5.270 . 0 0 "[ . 1 . 2]" 6
103 1 106 ARG HA 1 121 VAL MG2 7.000 . 7.500 4.137 2.614 6.388 . 0 0 "[ . 1 . 2]" 6
104 1 106 ARG HD3 1 121 VAL MG1 7.500 . 8.000 4.871 3.300 5.747 . 0 0 "[ . 1 . 2]" 6
105 1 106 ARG HD3 1 121 VAL MG2 7.500 . 8.000 4.600 2.275 6.195 . 0 0 "[ . 1 . 2]" 6
106 1 106 ARG QG 1 109 MET QB 5.500 . 6.000 3.177 2.916 4.083 . 0 0 "[ . 1 . 2]" 6
107 1 104 GLU HA 1 107 HIS HB3 5.410 . 5.910 3.054 2.889 3.994 . 0 0 "[ . 1 . 2]" 6
108 1 104 GLU HA 1 107 HIS HB2 5.500 . 6.000 2.646 2.465 2.885 . 0 0 "[ . 1 . 2]" 6
109 1 108 VAL MG1 1 111 ASN QB 6.500 . 7.000 3.970 2.945 4.669 . 0 0 "[ . 1 . 2]" 6
110 1 92 PHE QD 1 108 VAL MG1 6.500 . 7.000 3.700 2.892 4.915 . 0 0 "[ . 1 . 2]" 6
111 1 92 PHE QD 1 108 VAL MG2 5.500 . 6.000 2.734 1.829 3.928 . 0 0 "[ . 1 . 2]" 6
112 1 109 MET HA 1 112 LEU HB2 5.500 . 6.000 4.949 1.912 5.529 . 0 0 "[ . 1 . 2]" 6
113 1 105 LEU HA 1 109 MET ME 7.500 . 8.000 4.901 4.276 5.485 . 0 0 "[ . 1 . 2]" 6
114 1 108 VAL HA 1 111 ASN QB 5.500 . 6.000 3.114 2.583 3.473 . 0 0 "[ . 1 . 2]" 6
115 1 116 LEU HB2 1 120 GLU QB 5.190 . 5.690 2.986 1.922 3.825 . 0 0 "[ . 1 . 2]" 6
116 1 109 MET QB 1 116 LEU MD1 6.500 . 7.000 3.012 1.821 4.383 . 0 0 "[ . 1 . 2]" 6
117 1 114 GLU HA 1 116 LEU HG 5.130 . 5.630 4.912 2.938 5.906 0.276 16 0 "[ . 1 . 2]" 6
118 1 114 GLU QB 1 116 LEU HG 3.690 . 4.190 3.067 1.930 4.010 . 0 0 "[ . 1 . 2]" 6
119 1 116 LEU HB2 1 121 VAL HA 4.750 . 5.250 5.261 4.175 5.848 0.598 12 4 "[ . 1*+ - * 2]" 6
120 1 118 ASP HA 1 121 VAL HB 3.960 . 4.460 3.226 2.440 4.844 0.384 10 0 "[ . 1 . 2]" 6
121 1 102 ALA HA 1 121 VAL MG2 7.500 . 8.000 4.786 3.512 5.931 . 0 0 "[ . 1 . 2]" 6
122 1 124 MET QB 1 124 MET ME 4.200 . 4.700 2.020 1.765 2.558 . 0 0 "[ . 1 . 2]" 6
123 1 105 LEU HG 1 124 MET ME 5.500 . 6.000 4.052 2.476 5.416 . 0 0 "[ . 1 . 2]" 6
124 1 125 ILE H 1 125 ILE MG 3.770 . 4.270 3.726 3.710 3.742 . 0 0 "[ . 1 . 2]" 6
125 1 125 ILE MG 1 126 ARG HA 4.500 . 5.000 3.954 3.851 4.074 . 0 0 "[ . 1 . 2]" 6
126 1 125 ILE MG 1 129 ASP HB3 5.500 . 6.000 4.190 3.194 4.846 . 0 0 "[ . 1 . 2]" 6
127 1 128 ALA HA 1 130 ILE HG12 5.500 . 6.000 5.015 4.533 6.122 0.122 18 0 "[ . 1 . 2]" 6
128 1 128 ALA HA 1 144 MET ME 6.500 . 7.000 6.171 5.603 6.368 . 0 0 "[ . 1 . 2]" 6
129 1 130 ILE MG 1 143 GLN HE21 5.500 . 6.000 4.747 3.198 5.415 . 0 0 "[ . 1 . 2]" 6
130 1 130 ILE MG 1 143 GLN QG 7.500 2.470 8.000 4.030 3.159 4.293 . 0 0 "[ . 1 . 2]" 6
131 1 125 ILE MG 1 135 GLN HA 4.700 . 5.200 2.144 1.855 2.636 . 0 0 "[ . 1 . 2]" 6
132 1 100 ILE HB 1 136 VAL MG1 4.960 . 5.460 3.324 3.062 3.524 . 0 0 "[ . 1 . 2]" 6
133 1 135 GLN QB 1 136 VAL MG2 5.500 . 6.000 4.161 4.054 4.296 . 0 0 "[ . 1 . 2]" 6
134 1 100 ILE HB 1 136 VAL MG2 4.960 . 5.460 3.755 3.395 4.044 . 0 0 "[ . 1 . 2]" 6
135 1 139 GLU HA 1 142 VAL HB 3.830 . 4.330 4.222 2.297 4.592 0.262 4 0 "[ . 1 . 2]" 6
136 1 139 GLU HA 1 142 VAL MG1 5.410 . 5.910 3.674 3.381 3.875 . 0 0 "[ . 1 . 2]" 6
137 1 140 GLU HA 1 143 GLN H 3.950 . 4.450 3.359 3.151 3.723 . 0 0 "[ . 1 . 2]" 6
138 1 128 ALA MB 1 140 GLU HA 5.500 . 6.000 3.542 2.456 4.297 . 0 0 "[ . 1 . 2]" 6
139 1 130 ILE MD 1 140 GLU HA 3.300 . 3.800 2.343 1.921 3.273 . 0 0 "[ . 1 . 2]" 6
140 1 85 ILE MG 1 142 VAL HA 5.500 . 6.000 3.863 3.536 4.252 . 0 0 "[ . 1 . 2]" 6
141 1 142 VAL HA 1 145 MET HB3 4.480 . 4.980 4.738 4.247 5.317 0.337 17 0 "[ . 1 . 2]" 6
142 1 142 VAL HA 1 145 MET HG3 5.340 . 5.840 5.164 4.360 5.799 . 0 0 "[ . 1 . 2]" 6
143 1 139 GLU HA 1 142 VAL MG2 5.410 . 5.910 2.075 1.838 3.111 . 0 0 "[ . 1 . 2]" 6
144 1 142 VAL MG2 1 146 THR HB 5.500 . 6.000 4.151 3.333 4.594 . 0 0 "[ . 1 . 2]" 6
145 1 130 ILE MG 1 143 GLN QB 7.500 . 8.000 4.716 3.641 5.449 . 0 0 "[ . 1 . 2]" 6
146 1 130 ILE MD 1 143 GLN QB 5.500 . 6.000 3.099 2.495 3.904 . 0 0 "[ . 1 . 2]" 6
147 1 130 ILE MD 1 143 GLN QG 4.500 . 5.000 3.100 2.140 4.145 . 0 0 "[ . 1 . 2]" 6
148 1 128 ALA MB 1 144 MET ME 7.500 . 8.000 4.495 3.540 5.007 . 0 0 "[ . 1 . 2]" 6
149 1 127 GLU QB 1 144 MET ME 7.500 2.520 8.000 4.465 4.369 4.557 . 0 0 "[ . 1 . 2]" 6
150 1 144 MET QG 1 145 MET ME 6.500 . 7.000 2.071 1.761 2.645 . 0 0 "[ . 1 . 2]" 6
151 1 144 MET ME 1 145 MET ME 4.250 . 4.750 2.470 2.150 3.418 . 0 0 "[ . 1 . 2]" 6
152 1 142 VAL MG1 1 146 THR HB 5.500 . 6.000 4.108 2.448 5.311 . 0 0 "[ . 1 . 2]" 6
153 1 85 ILE MD 1 142 VAL HA 7.500 . 8.000 3.945 3.005 4.478 . 0 0 "[ . 1 . 2]" 6
154 1 85 ILE HA 1 85 ILE MD 3.860 . 4.360 2.297 1.843 3.775 . 0 0 "[ . 1 . 2]" 6
155 1 105 LEU QB 1 125 ILE MD 5.500 . 6.000 2.777 2.145 3.136 . 0 0 "[ . 1 . 2]" 6
156 1 122 ASP HA 1 125 ILE MD 6.500 . 7.000 4.671 4.301 4.806 . 0 0 "[ . 1 . 2]" 6
157 1 101 SER HA 1 125 ILE MD 5.500 . 6.000 4.469 3.826 4.836 . 0 0 "[ . 1 . 2]" 6
158 1 125 ILE MD 1 135 GLN HA 5.500 . 6.000 3.526 3.118 3.803 . 0 0 "[ . 1 . 2]" 6
159 1 125 ILE MD 1 126 ARG H 5.150 . 5.650 4.334 4.239 4.433 . 0 0 "[ . 1 . 2]" 6
160 1 130 ILE MD 1 131 ASP HA 6.500 . 7.000 5.253 4.401 5.621 . 0 0 "[ . 1 . 2]" 6
161 1 117 THR HA 1 117 THR MG 3.500 . 4.000 2.244 2.036 2.432 . 0 0 "[ . 1 . 2]" 6
162 1 117 THR MG 1 120 GLU QG 6.500 . 7.000 4.309 3.402 5.540 . 0 0 "[ . 1 . 2]" 6
163 1 148 LYS HA 1 148 LYS QG 2.810 . 3.310 2.383 2.313 3.320 0.010 8 0 "[ . 1 . 2]" 6
164 1 109 MET QB 1 110 THR HA 5.000 . 5.500 3.883 3.806 3.933 . 0 0 "[ . 1 . 2]" 6
165 1 105 LEU MD1 1 109 MET HG3 6.500 . 7.000 4.705 3.555 5.838 . 0 0 "[ . 1 . 2]" 6
166 1 102 ALA MB 1 125 ILE H 4.940 . 5.440 4.743 4.677 4.835 . 0 0 "[ . 1 . 2]" 6
167 1 101 SER HA 1 102 ALA MB 5.500 . 6.000 4.103 4.004 4.189 . 0 0 "[ . 1 . 2]" 6
168 1 108 VAL HA 1 108 VAL MG2 3.580 . 4.080 2.241 1.937 2.447 . 0 0 "[ . 1 . 2]" 6
169 1 115 LYS HA 1 115 LYS QG 2.940 . 3.440 2.520 2.244 3.336 . 0 0 "[ . 1 . 2]" 6
170 1 105 LEU HA 1 105 LEU MD1 4.500 . 5.000 2.468 1.863 3.677 . 0 0 "[ . 1 . 2]" 6
171 1 105 LEU MD1 1 109 MET HG2 7.500 . 8.000 4.024 2.915 5.234 . 0 0 "[ . 1 . 2]" 6
172 1 126 ARG H 1 126 ARG HG2 4.510 . 5.010 4.194 3.507 4.573 . 0 0 "[ . 1 . 2]" 6
173 1 126 ARG QD 1 126 ARG HG3 2.610 . 3.110 2.379 2.214 2.420 . 0 0 "[ . 1 . 2]" 6
174 1 126 ARG H 1 126 ARG HG3 4.510 . 5.010 3.774 2.278 4.423 . 0 0 "[ . 1 . 2]" 6
175 1 114 GLU H 1 115 LYS QD 5.500 . 6.000 5.628 5.132 5.927 . 0 0 "[ . 1 . 2]" 6
176 1 92 PHE QE 1 108 VAL HB 5.500 . 6.000 2.994 1.993 4.817 . 0 0 "[ . 1 . 2]" 6
177 1 128 ALA HA 1 143 GLN QG 6.000 . 6.500 5.028 3.643 6.123 . 0 0 "[ . 1 . 2]" 6
178 1 143 GLN QG 1 144 MET QB 6.500 . 7.000 4.880 4.347 5.645 . 0 0 "[ . 1 . 2]" 6
179 1 143 GLN QG 1 147 ALA MB 5.500 . 6.000 3.816 3.059 4.753 . 0 0 "[ . 1 . 2]" 6
180 1 112 LEU HB3 1 112 LEU MD2 2.890 . 3.390 2.122 1.973 3.189 . 0 0 "[ . 1 . 2]" 6
181 1 100 ILE HB 1 101 SER HA 4.640 . 5.140 4.979 4.843 5.050 . 0 0 "[ . 1 . 2]" 6
182 1 86 ARG HA 1 89 PHE QD 4.640 . 5.140 3.321 2.484 4.644 . 0 0 "[ . 1 . 2]" 6
183 1 104 GLU HA 1 105 LEU H 3.500 . 4.000 3.584 3.546 3.617 . 0 0 "[ . 1 . 2]" 6
184 1 126 ARG HA 1 128 ALA H 5.500 . 6.000 4.490 3.949 5.235 . 0 0 "[ . 1 . 2]" 6
185 1 130 ILE HA 1 130 ILE MD 4.500 . 5.000 3.944 3.689 4.167 . 0 0 "[ . 1 . 2]" 6
186 1 128 ALA HA 1 130 ILE MD 5.180 . 5.680 4.081 2.881 4.969 . 0 0 "[ . 1 . 2]" 6
187 1 123 GLU HA 1 125 ILE MG 7.500 . 8.000 6.236 5.949 6.540 . 0 0 "[ . 1 . 2]" 6
188 1 89 PHE HA 1 89 PHE QE 5.000 . 5.500 4.178 4.023 4.338 . 0 0 "[ . 1 . 2]" 6
189 1 85 ILE MG 1 142 VAL HB 7.500 . 8.000 4.289 3.960 4.915 . 0 0 "[ . 1 . 2]" 6
190 1 130 ILE H 1 133 ASP H 5.390 . 5.890 5.535 5.243 6.197 0.307 20 0 "[ . 1 . 2]" 6
191 1 139 GLU H 1 140 GLU H 3.520 . 4.020 2.670 2.519 2.837 . 0 0 "[ . 1 . 2]" 6
192 1 139 GLU H 1 141 PHE H 4.120 . 4.620 4.450 4.072 4.773 0.153 4 0 "[ . 1 . 2]" 6
193 1 88 ALA H 1 90 ARG H 4.300 . 4.800 3.984 3.814 4.073 . 0 0 "[ . 1 . 2]" 6
194 1 123 GLU H 1 124 MET H 3.810 . 4.310 2.606 2.501 2.821 . 0 0 "[ . 1 . 2]" 6
195 1 130 ILE H 1 132 GLY H 3.820 . 4.320 3.705 3.309 4.462 0.142 20 0 "[ . 1 . 2]" 6
196 1 85 ILE H 1 86 ARG H 4.060 . 4.560 2.590 2.401 2.715 . 0 0 "[ . 1 . 2]" 6
197 1 88 ALA H 1 89 PHE H 3.480 . 3.980 2.646 2.598 2.725 . 0 0 "[ . 1 . 2]" 6
198 1 89 PHE H 1 90 ARG H 4.120 . 4.620 2.695 2.592 2.767 . 0 0 "[ . 1 . 2]" 6
199 1 90 ARG H 1 91 VAL H 4.030 . 4.530 2.692 2.591 2.740 . 0 0 "[ . 1 . 2]" 6
200 1 91 VAL H 1 92 PHE H 2.500 . 3.000 2.432 2.166 2.546 . 0 0 "[ . 1 . 2]" 6
201 1 92 PHE H 1 93 ASP H 3.830 . 4.330 2.573 2.259 2.742 . 0 0 "[ . 1 . 2]" 6
202 1 93 ASP H 1 94 LYS H 4.500 . 5.000 3.600 1.933 4.224 . 0 0 "[ . 1 . 2]" 6
203 1 94 LYS H 1 96 GLY H 4.610 . 5.110 4.708 3.971 5.312 0.202 10 0 "[ . 1 . 2]" 6
204 1 94 LYS H 1 95 ASP H 4.180 . 4.680 2.980 2.143 3.749 . 0 0 "[ . 1 . 2]" 6
205 1 95 ASP H 1 96 GLY H 3.750 . 4.250 2.889 1.760 3.341 . 0 0 "[ . 1 . 2]" 6
206 1 96 GLY H 1 97 ASN H 3.360 . 3.860 2.396 2.008 3.283 . 0 0 "[ . 1 . 2]" 6
207 1 97 ASN H 1 98 GLY H 3.600 . 4.100 3.443 1.844 4.696 0.596 4 1 "[ +. 1 . 2]" 6
208 1 98 GLY H 1 99 TYR H 3.810 . 4.310 2.690 1.912 3.185 . 0 0 "[ . 1 . 2]" 6
209 1 103 ALA H 1 104 GLU H 4.100 . 4.600 2.783 2.750 2.815 . 0 0 "[ . 1 . 2]" 6
210 1 104 GLU H 1 105 LEU H 3.720 . 4.220 2.854 2.735 2.986 . 0 0 "[ . 1 . 2]" 6
211 1 106 ARG H 1 107 HIS H 3.680 . 4.180 2.624 2.584 2.652 . 0 0 "[ . 1 . 2]" 6
212 1 106 ARG H 1 108 VAL H 5.390 . 5.890 4.226 4.081 4.335 . 0 0 "[ . 1 . 2]" 6
213 1 107 HIS H 1 108 VAL H 4.620 . 5.120 2.695 2.597 2.756 . 0 0 "[ . 1 . 2]" 6
214 1 109 MET H 1 110 THR H 4.270 . 4.770 2.658 2.536 2.828 . 0 0 "[ . 1 . 2]" 6
215 1 109 MET H 1 111 ASN H 4.570 . 5.070 4.148 4.090 4.245 . 0 0 "[ . 1 . 2]" 6
216 1 116 LEU H 1 117 THR H 4.810 . 5.310 4.502 4.267 4.606 . 0 0 "[ . 1 . 2]" 6
217 1 118 ASP H 1 119 GLU H 3.880 . 4.380 2.817 2.594 3.773 . 0 0 "[ . 1 . 2]" 6
218 1 119 GLU H 1 120 GLU H 2.460 . 2.960 2.599 2.443 2.868 . 0 0 "[ . 1 . 2]" 6
219 1 120 GLU H 1 121 VAL H 3.350 . 3.850 2.579 2.472 2.778 . 0 0 "[ . 1 . 2]" 6
220 1 121 VAL H 1 122 ASP H 4.080 . 4.580 2.658 2.454 2.878 . 0 0 "[ . 1 . 2]" 6
221 1 125 ILE H 1 126 ARG H 3.440 . 3.940 2.475 2.400 2.610 . 0 0 "[ . 1 . 2]" 6
222 1 126 ARG H 1 127 GLU H 4.320 . 4.820 2.676 2.538 2.928 . 0 0 "[ . 1 . 2]" 6
223 1 125 ILE H 1 127 GLU H 4.120 . 4.620 4.112 3.953 4.312 . 0 0 "[ . 1 . 2]" 6
224 1 126 ARG H 1 128 ALA H 5.020 . 5.520 4.330 4.064 5.056 . 0 0 "[ . 1 . 2]" 6
225 1 127 GLU H 1 128 ALA H 3.670 . 4.170 2.787 2.645 3.208 . 0 0 "[ . 1 . 2]" 6
226 1 128 ALA H 1 129 ASP H 3.440 . 3.940 2.400 2.198 3.037 . 0 0 "[ . 1 . 2]" 6
227 1 131 ASP H 1 132 GLY H 3.250 . 3.750 2.545 2.385 2.936 . 0 0 "[ . 1 . 2]" 6
228 1 132 GLY H 1 133 ASP H 3.800 . 4.300 2.713 1.871 3.141 . 0 0 "[ . 1 . 2]" 6
229 1 133 ASP H 1 134 GLY H 3.900 . 4.400 2.611 2.326 3.888 . 0 0 "[ . 1 . 2]" 6
230 1 134 GLY H 1 135 GLN H 3.810 . 4.310 2.528 2.399 2.678 . 0 0 "[ . 1 . 2]" 6
231 1 133 ASP H 1 135 GLN H 3.810 . 4.310 3.582 3.319 4.653 0.343 20 0 "[ . 1 . 2]" 6
232 1 138 TYR H 1 139 GLU H 4.150 . 4.650 2.728 2.527 2.842 . 0 0 "[ . 1 . 2]" 6
233 1 140 GLU H 1 141 PHE H 4.290 . 4.790 2.672 2.527 2.839 . 0 0 "[ . 1 . 2]" 6
234 1 142 VAL H 1 143 GLN H 2.470 . 2.970 2.742 2.691 2.842 . 0 0 "[ . 1 . 2]" 6
235 1 143 GLN H 1 144 MET H 2.770 . 3.270 2.575 2.491 2.637 . 0 0 "[ . 1 . 2]" 6
236 1 143 GLN H 1 145 MET H 3.810 . 4.310 4.654 4.318 4.837 0.527 17 1 "[ . 1 . + 2]" 6
237 1 146 THR H 1 147 ALA H 3.630 . 4.130 3.803 2.313 4.489 0.359 18 0 "[ . 1 . 2]" 6
238 1 119 GLU H 1 119 GLU HA 2.920 . 3.420 2.896 2.868 2.921 . 0 0 "[ . 1 . 2]" 6
239 1 117 THR HA 1 119 GLU H 4.280 . 4.780 4.287 4.064 4.503 . 0 0 "[ . 1 . 2]" 6
240 1 120 GLU H 1 120 GLU HA 2.940 . 3.440 2.890 2.842 2.918 . 0 0 "[ . 1 . 2]" 6
241 1 97 ASN HA 1 99 TYR H 6.500 . 7.000 4.586 4.237 5.345 . 0 0 "[ . 1 . 2]" 6
242 1 113 GLY H 1 113 GLY HA3 2.920 . 3.420 2.668 2.360 2.977 . 0 0 "[ . 1 . 2]" 6
243 1 87 GLU HA 1 88 ALA H 3.520 . 4.020 3.572 3.536 3.602 . 0 0 "[ . 1 . 2]" 6
244 1 119 GLU HA 1 122 ASP H 3.790 . 4.290 3.622 3.346 4.114 . 0 0 "[ . 1 . 2]" 6
245 1 88 ALA HA 1 91 VAL H 4.080 . 4.580 3.441 3.256 3.604 . 0 0 "[ . 1 . 2]" 6
246 1 90 ARG HA 1 93 ASP H 3.980 . 4.480 3.937 3.094 4.453 . 0 0 "[ . 1 . 2]" 6
247 1 101 SER QB 1 104 GLU H 2.990 . 3.490 2.299 2.118 2.516 . 0 0 "[ . 1 . 2]" 6
248 1 107 HIS H 1 107 HIS HB3 3.260 . 3.760 2.743 2.618 3.583 . 0 0 "[ . 1 . 2]" 6
249 1 110 THR H 1 110 THR HB 3.450 . 3.950 2.784 2.642 3.611 . 0 0 "[ . 1 . 2]" 6
250 1 113 GLY H 1 113 GLY HA2 2.920 . 3.420 2.862 2.390 2.997 . 0 0 "[ . 1 . 2]" 6
251 1 112 LEU HA 1 113 GLY H 3.500 . 4.000 3.135 2.770 3.489 . 0 0 "[ . 1 . 2]" 6
252 1 115 LYS H 1 116 LEU HA 5.160 . 5.660 5.073 4.074 5.964 0.304 9 0 "[ . 1 . 2]" 6
253 1 114 GLU HA 1 115 LYS H 3.150 . 3.650 3.054 2.092 3.649 . 0 0 "[ . 1 . 2]" 6
254 1 115 LYS HA 1 116 LEU H 3.230 . 3.730 2.678 2.217 3.610 . 0 0 "[ . 1 . 2]" 6
255 1 117 THR H 1 117 THR HB 3.600 . 4.100 3.102 2.384 3.646 . 0 0 "[ . 1 . 2]" 6
256 1 122 ASP HA 1 124 MET H 5.330 . 5.830 4.361 4.079 4.775 . 0 0 "[ . 1 . 2]" 6
257 1 125 ILE H 1 125 ILE HA 2.810 . 3.310 2.898 2.871 2.919 . 0 0 "[ . 1 . 2]" 6
258 1 126 ARG H 1 126 ARG HA 2.840 . 3.340 2.869 2.807 2.908 . 0 0 "[ . 1 . 2]" 6
259 1 133 ASP H 1 133 ASP HA 2.910 . 3.410 2.971 2.940 2.993 . 0 0 "[ . 1 . 2]" 6
260 1 139 GLU H 1 139 GLU HA 2.890 . 3.390 2.855 2.830 2.883 . 0 0 "[ . 1 . 2]" 6
261 1 143 GLN H 1 144 MET HA 5.500 . 6.000 5.232 5.174 5.273 . 0 0 "[ . 1 . 2]" 6
262 1 143 GLN H 1 146 THR HB 5.500 . 6.000 4.987 4.402 5.157 . 0 0 "[ . 1 . 2]" 6
263 1 142 VAL HA 1 144 MET H 5.500 . 6.000 4.019 3.879 4.209 . 0 0 "[ . 1 . 2]" 6
264 1 142 VAL HA 1 145 MET H 4.990 . 5.490 3.662 3.260 4.003 . 0 0 "[ . 1 . 2]" 6
265 1 132 GLY H 1 132 GLY HA2 2.600 . 3.100 2.371 2.324 2.544 . 0 0 "[ . 1 . 2]" 6
266 1 129 ASP H 1 129 ASP HA 2.850 . 3.350 2.805 2.338 2.879 . 0 0 "[ . 1 . 2]" 6
267 1 119 GLU H 1 120 GLU HA 5.210 . 5.710 5.272 5.149 5.456 . 0 0 "[ . 1 . 2]" 6
268 1 113 GLY HA3 1 114 GLU H 3.190 . 3.690 3.051 2.227 3.600 . 0 0 "[ . 1 . 2]" 6
269 1 107 HIS HB3 1 108 VAL H 3.060 . 3.560 2.487 2.354 3.610 0.050 9 0 "[ . 1 . 2]" 6
270 1 106 ARG H 1 107 HIS HB3 5.050 . 5.550 5.064 4.909 6.133 0.583 9 1 "[ . +1 . 2]" 6
271 1 101 SER HA 1 103 ALA H 5.090 . 5.590 4.330 3.996 4.585 . 0 0 "[ . 1 . 2]" 6
272 1 120 GLU H 1 120 GLU QG 3.660 . 4.160 2.598 1.966 4.001 . 0 0 "[ . 1 . 2]" 6
273 1 123 GLU QB 1 124 MET H 3.580 . 4.080 2.661 2.276 2.955 . 0 0 "[ . 1 . 2]" 6
274 1 102 ALA MB 1 124 MET H 6.500 . 7.000 5.949 5.716 6.109 . 0 0 "[ . 1 . 2]" 6
275 1 124 MET QG 1 126 ARG H 6.000 . 6.500 4.825 4.107 5.275 . 0 0 "[ . 1 . 2]" 6
276 1 119 GLU QG 1 123 GLU H 4.630 . 5.130 4.248 3.907 5.075 . 0 0 "[ . 1 . 2]" 6
277 1 85 ILE H 1 85 ILE HB 3.460 . 3.960 2.434 2.163 2.504 . 0 0 "[ . 1 . 2]" 6
278 1 85 ILE MG 1 86 ARG H 4.640 . 5.140 3.685 3.494 3.763 . 0 0 "[ . 1 . 2]" 6
279 1 89 PHE QB 1 90 ARG H 5.500 . 6.000 2.695 2.605 2.835 . 0 0 "[ . 1 . 2]" 6
280 1 90 ARG H 1 90 ARG HB2 3.350 . 3.850 2.321 2.236 2.370 . 0 0 "[ . 1 . 2]" 6
281 1 90 ARG HB2 1 91 VAL H 3.610 . 4.110 2.883 2.703 3.777 . 0 0 "[ . 1 . 2]" 6
282 1 91 VAL H 1 91 VAL MG1 3.270 . 3.770 2.248 2.044 2.452 . 0 0 "[ . 1 . 2]" 6
283 1 91 VAL H 1 91 VAL MG2 3.270 . 3.770 2.151 1.884 2.572 . 0 0 "[ . 1 . 2]" 6
284 1 91 VAL HB 1 92 PHE H 3.920 . 4.420 4.031 3.873 4.284 . 0 0 "[ . 1 . 2]" 6
285 1 88 ALA MB 1 92 PHE H 6.500 . 7.000 4.649 4.452 4.986 . 0 0 "[ . 1 . 2]" 6
286 1 91 VAL MG2 1 92 PHE H 4.190 . 4.690 2.127 1.924 2.684 . 0 0 "[ . 1 . 2]" 6
287 1 93 ASP H 1 93 ASP QB 3.560 . 4.060 2.800 2.206 3.162 . 0 0 "[ . 1 . 2]" 6
288 1 92 PHE QB 1 93 ASP H 3.850 . 4.350 2.611 2.262 2.878 . 0 0 "[ . 1 . 2]" 6
289 1 94 LYS H 1 94 LYS QB 3.470 . 3.970 2.348 2.078 2.917 . 0 0 "[ . 1 . 2]" 6
290 1 94 LYS QB 1 95 ASP H 3.800 . 4.300 2.866 1.953 3.997 . 0 0 "[ . 1 . 2]" 6
291 1 97 ASN H 1 97 ASN HB3 3.770 . 4.270 2.895 2.111 3.537 . 0 0 "[ . 1 . 2]" 6
292 1 97 ASN H 1 97 ASN HB2 3.770 . 4.270 3.600 2.219 3.950 . 0 0 "[ . 1 . 2]" 6
293 1 100 ILE H 1 100 ILE MG 4.400 . 4.900 3.737 3.709 3.767 . 0 0 "[ . 1 . 2]" 6
294 1 103 ALA H 1 103 ALA MB 3.010 . 3.510 2.040 1.959 2.161 . 0 0 "[ . 1 . 2]" 6
295 1 104 GLU H 1 104 GLU QG 3.580 . 4.080 1.891 1.811 2.012 . 0 0 "[ . 1 . 2]" 6
296 1 103 ALA MB 1 104 GLU H 3.670 . 4.170 2.300 2.089 2.460 . 0 0 "[ . 1 . 2]" 6
297 1 106 ARG H 1 106 ARG HB3 3.180 . 3.680 2.616 2.487 3.556 . 0 0 "[ . 1 . 2]" 6
298 1 106 ARG H 1 106 ARG HB2 3.700 . 4.200 2.366 2.324 2.429 . 0 0 "[ . 1 . 2]" 6
299 1 106 ARG H 1 106 ARG QG 4.190 . 4.690 3.845 2.172 4.018 . 0 0 "[ . 1 . 2]" 6
300 1 108 VAL H 1 108 VAL HB 3.870 . 4.370 2.331 2.025 2.566 . 0 0 "[ . 1 . 2]" 6
301 1 109 MET H 1 109 MET HB2 4.090 . 4.590 2.453 2.053 2.603 . 0 0 "[ . 1 . 2]" 6
302 1 108 VAL HB 1 109 MET H 3.450 . 3.950 3.327 2.509 4.005 0.055 2 0 "[ . 1 . 2]" 6
303 1 108 VAL HB 1 110 THR H 5.280 . 5.780 5.409 4.906 5.800 0.020 14 0 "[ . 1 . 2]" 6
304 1 111 ASN H 1 111 ASN QB 3.470 . 3.970 2.388 2.107 2.467 . 0 0 "[ . 1 . 2]" 6
305 1 110 THR MG 1 111 ASN H 5.500 . 6.000 3.676 3.582 3.730 . 0 0 "[ . 1 . 2]" 6
306 1 110 THR HB 1 111 ASN H 2.810 . 3.310 2.636 2.408 3.836 0.526 10 2 "[ - . + . 2]" 6
307 1 112 LEU HB2 1 113 GLY H 2.990 . 3.490 2.538 1.872 3.939 0.449 5 0 "[ . 1 . 2]" 6
308 1 112 LEU H 1 112 LEU MD2 3.700 . 4.200 2.109 1.889 2.617 . 0 0 "[ . 1 . 2]" 6
309 1 112 LEU MD1 1 113 GLY H 2.770 . 3.270 2.664 1.787 3.375 0.105 7 0 "[ . 1 . 2]" 6
310 1 115 LYS H 1 115 LYS QG 3.940 . 4.440 2.779 1.857 4.082 . 0 0 "[ . 1 . 2]" 6
311 1 116 LEU H 1 116 LEU HB2 3.820 . 4.320 3.061 2.353 3.739 . 0 0 "[ . 1 . 2]" 6
312 1 116 LEU H 1 116 LEU MD2 3.780 . 4.280 3.601 2.401 4.202 . 0 0 "[ . 1 . 2]" 6
313 1 117 THR H 1 117 THR MG 3.670 . 4.170 3.222 2.377 3.860 . 0 0 "[ . 1 . 2]" 6
314 1 116 LEU MD2 1 117 THR H 4.600 . 5.100 4.047 3.260 4.555 . 0 0 "[ . 1 . 2]" 6
315 1 115 LYS H 1 116 LEU HG 4.800 . 5.300 3.933 2.289 4.999 . 0 0 "[ . 1 . 2]" 6
316 1 116 LEU HB2 1 117 THR H 3.800 . 4.300 3.336 2.309 4.133 . 0 0 "[ . 1 . 2]" 6
317 1 117 THR HB 1 118 ASP H 3.910 . 4.410 2.943 2.057 4.414 0.004 18 0 "[ . 1 . 2]" 6
318 1 117 THR HB 1 119 GLU H 2.500 . 3.000 2.848 2.462 3.603 0.603 18 1 "[ . 1 . + 2]" 6
319 1 117 THR MG 1 118 ASP H 4.970 . 5.470 2.946 1.958 3.935 . 0 0 "[ . 1 . 2]" 6
320 1 117 THR MG 1 119 GLU H 4.720 . 5.220 3.486 2.005 4.478 . 0 0 "[ . 1 . 2]" 6
321 1 125 ILE H 1 125 ILE MD 3.440 . 3.940 2.739 2.580 2.916 . 0 0 "[ . 1 . 2]" 6
322 1 124 MET H 1 125 ILE MD 6.500 . 7.000 4.562 4.404 4.652 . 0 0 "[ . 1 . 2]" 6
323 1 125 ILE MG 1 126 ARG H 3.890 . 4.390 3.736 3.676 3.816 . 0 0 "[ . 1 . 2]" 6
324 1 126 ARG H 1 126 ARG QB 3.360 . 3.860 2.204 2.173 2.258 . 0 0 "[ . 1 . 2]" 6
325 1 125 ILE HB 1 126 ARG H 3.840 . 4.340 2.676 2.464 2.814 . 0 0 "[ . 1 . 2]" 6
326 1 127 GLU H 1 127 GLU QG 3.960 . 4.460 2.178 1.981 2.364 . 0 0 "[ . 1 . 2]" 6
327 1 127 GLU H 1 128 ALA MB 4.830 . 5.330 4.412 4.247 4.751 . 0 0 "[ . 1 . 2]" 6
328 1 128 ALA MB 1 129 ASP H 3.780 . 4.280 2.873 1.931 3.455 . 0 0 "[ . 1 . 2]" 6
329 1 129 ASP H 1 129 ASP HB3 3.450 . 3.950 3.104 2.393 3.537 . 0 0 "[ . 1 . 2]" 6
330 1 129 ASP H 1 129 ASP HB2 3.720 . 4.220 2.222 1.950 2.858 . 0 0 "[ . 1 . 2]" 6
331 1 128 ALA H 1 129 ASP HB3 4.760 . 5.260 5.297 4.368 5.812 0.552 3 6 "[ *+ . -1** . *2]" 6
332 1 129 ASP HB3 1 130 ILE H 5.500 . 6.000 4.087 1.872 4.489 . 0 0 "[ . 1 . 2]" 6
333 1 128 ALA H 1 129 ASP HB2 4.830 . 5.330 4.282 3.914 4.761 . 0 0 "[ . 1 . 2]" 6
334 1 130 ILE H 1 130 ILE HB 3.860 . 4.360 3.117 2.496 3.763 . 0 0 "[ . 1 . 2]" 6
335 1 130 ILE H 1 130 ILE HG12 3.810 . 4.310 2.898 1.732 4.361 0.051 4 0 "[ . 1 . 2]" 6
336 1 130 ILE H 1 130 ILE HG13 3.920 . 4.420 2.577 1.874 3.426 . 0 0 "[ . 1 . 2]" 6
337 1 130 ILE H 1 130 ILE MD 3.940 . 4.440 2.832 1.901 4.164 . 0 0 "[ . 1 . 2]" 6
338 1 130 ILE HG12 1 131 ASP H 5.480 . 5.980 3.837 2.080 5.077 . 0 0 "[ . 1 . 2]" 6
339 1 130 ILE MD 1 131 ASP H 4.500 . 5.000 3.434 2.727 3.677 . 0 0 "[ . 1 . 2]" 6
340 1 133 ASP HB2 1 134 GLY H 5.500 . 6.000 4.117 2.007 4.420 . 0 0 "[ . 1 . 2]" 6
341 1 133 ASP HB3 1 134 GLY H 5.500 . 6.000 4.304 3.407 4.497 . 0 0 "[ . 1 . 2]" 6
342 1 138 TYR H 1 138 TYR HB2 4.160 . 4.660 2.489 2.379 3.585 . 0 0 "[ . 1 . 2]" 6
343 1 138 TYR H 1 138 TYR HB3 2.500 . 3.000 2.444 2.371 2.515 . 0 0 "[ . 1 . 2]" 6
344 1 139 GLU H 1 139 GLU QB 3.240 . 3.740 2.274 2.162 2.376 . 0 0 "[ . 1 . 2]" 6
345 1 141 PHE H 1 141 PHE HB3 4.020 . 4.520 2.217 2.071 2.298 . 0 0 "[ . 1 . 2]" 6
346 1 139 GLU H 1 141 PHE HB3 5.500 . 6.000 5.239 4.858 5.532 . 0 0 "[ . 1 . 2]" 6
347 1 138 TYR HA 1 142 VAL H 4.370 . 4.870 3.865 3.403 4.256 . 0 0 "[ . 1 . 2]" 6
348 1 141 PHE HB2 1 142 VAL H 4.750 . 5.250 3.764 3.656 3.889 . 0 0 "[ . 1 . 2]" 6
349 1 139 GLU HA 1 142 VAL H 4.310 . 4.810 3.922 3.721 4.079 . 0 0 "[ . 1 . 2]" 6
350 1 142 VAL H 1 142 VAL MG2 3.800 . 4.300 1.948 1.886 2.082 . 0 0 "[ . 1 . 2]" 6
351 1 145 MET H 1 145 MET HG2 5.090 . 5.590 2.299 1.980 2.634 . 0 0 "[ . 1 . 2]" 6
352 1 145 MET H 1 145 MET HB3 3.620 . 4.120 3.520 3.500 3.551 . 0 0 "[ . 1 . 2]" 6
353 1 147 ALA H 1 147 ALA MB 3.160 . 3.660 2.624 1.963 2.827 . 0 0 "[ . 1 . 2]" 6
354 1 147 ALA MB 1 148 LYS H 3.470 . 3.970 3.015 2.384 3.645 . 0 0 "[ . 1 . 2]" 6
355 1 146 THR H 1 147 ALA MB 3.990 . 4.490 3.989 3.843 4.112 . 0 0 "[ . 1 . 2]" 6
356 1 136 VAL H 1 136 VAL HB 3.050 . 3.550 2.512 2.446 2.564 . 0 0 "[ . 1 . 2]" 6
357 1 136 VAL HB 1 137 ASN H 4.530 . 5.030 4.248 4.169 4.323 . 0 0 "[ . 1 . 2]" 6
358 1 143 GLN H 1 143 GLN QG 3.900 . 4.400 3.589 2.571 3.971 . 0 0 "[ . 1 . 2]" 6
359 1 144 MET H 1 144 MET QG 3.530 . 4.030 3.835 3.675 3.964 . 0 0 "[ . 1 . 2]" 6
360 1 144 MET H 1 144 MET QB 3.620 . 4.120 2.103 1.990 2.223 . 0 0 "[ . 1 . 2]" 6
361 1 148 LYS H 1 148 LYS QE 4.820 . 5.320 4.754 4.072 5.209 . 0 0 "[ . 1 . 2]" 6
362 1 146 THR H 1 146 THR MG 3.710 . 4.210 3.839 3.739 3.892 . 0 0 "[ . 1 . 2]" 6
363 1 145 MET H 1 145 MET HG3 3.810 . 4.310 3.500 3.342 3.776 . 0 0 "[ . 1 . 2]" 6
364 1 141 PHE H 1 141 PHE HB2 3.780 . 4.280 2.654 2.515 2.860 . 0 0 "[ . 1 . 2]" 6
365 1 126 ARG H 1 126 ARG QD 5.500 . 6.000 4.217 3.672 4.647 . 0 0 "[ . 1 . 2]" 6
366 1 125 ILE H 1 125 ILE HG12 2.500 . 3.000 2.039 1.964 2.240 . 0 0 "[ . 1 . 2]" 6
367 1 123 GLU H 1 123 GLU QG 3.900 . 4.400 3.185 2.134 4.018 . 0 0 "[ . 1 . 2]" 6
368 1 121 VAL H 1 121 VAL HB 3.470 . 3.970 2.630 2.350 3.648 . 0 0 "[ . 1 . 2]" 6
369 1 116 LEU HB2 1 121 VAL H 4.570 . 5.070 4.557 4.087 5.038 . 0 0 "[ . 1 . 2]" 6
370 1 116 LEU H 1 116 LEU HB3 3.420 . 3.920 3.605 3.168 4.023 0.103 9 0 "[ . 1 . 2]" 6
371 1 112 LEU H 1 112 LEU HG 4.000 . 4.500 2.316 1.979 4.008 . 0 0 "[ . 1 . 2]" 6
372 1 107 HIS H 1 107 HIS HA 2.850 . 3.350 2.891 2.882 2.905 . 0 0 "[ . 1 . 2]" 6
373 1 105 LEU H 1 105 LEU QB 3.460 . 3.960 2.133 2.037 2.193 . 0 0 "[ . 1 . 2]" 6
374 1 87 GLU H 1 87 GLU QB 3.180 . 3.680 2.313 2.187 2.365 . 0 0 "[ . 1 . 2]" 6
375 1 84 GLU H 1 84 GLU QB 3.580 . 4.080 2.427 2.130 3.346 . 0 0 "[ . 1 . 2]" 6
376 1 113 GLY HA2 1 114 GLU H 3.190 . 3.690 2.582 2.148 3.416 . 0 0 "[ . 1 . 2]" 6
377 1 120 GLU HA 1 123 GLU H 3.570 . 4.070 3.644 3.440 3.919 . 0 0 "[ . 1 . 2]" 6
378 1 105 LEU H 1 105 LEU HA 2.920 . 3.420 2.832 2.820 2.844 . 0 0 "[ . 1 . 2]" 6
379 1 143 GLN H 1 143 GLN QB 2.500 . 3.000 2.115 1.977 2.168 . 0 0 "[ . 1 . 2]" 6
380 1 103 ALA H 1 105 LEU H 4.800 . 5.300 4.135 3.922 4.329 . 0 0 "[ . 1 . 2]" 6
381 1 89 PHE H 1 92 PHE QE 6.500 . 7.000 4.278 3.793 5.591 . 0 0 "[ . 1 . 2]" 6
382 1 99 TYR H 1 99 TYR QD 4.560 . 5.060 2.926 2.518 3.623 . 0 0 "[ . 1 . 2]" 6
383 1 141 PHE H 1 141 PHE QD 4.500 . 5.000 4.072 4.027 4.120 . 0 0 "[ . 1 . 2]" 6
384 1 137 ASN QB 1 137 ASN HD22 3.520 . 4.020 3.274 3.270 3.305 . 0 0 "[ . 1 . 2]" 6
385 1 117 THR HB 1 120 GLU H 2.940 . 3.440 3.501 2.631 4.017 0.577 1 8 "[+ * ** **- * 2]" 6
386 1 125 ILE H 1 125 ILE HB 3.690 . 4.190 2.517 2.445 2.598 . 0 0 "[ . 1 . 2]" 6
387 1 125 ILE H 1 125 ILE HG13 4.160 . 4.660 3.555 3.495 3.694 . 0 0 "[ . 1 . 2]" 6
388 1 89 PHE QE 1 99 TYR H 6.500 . 7.000 4.048 3.759 4.331 . 0 0 "[ . 1 . 2]" 6
389 1 92 PHE QB 1 99 TYR H 7.500 . 8.000 5.293 5.057 5.586 . 0 0 "[ . 1 . 2]" 6
390 1 104 GLU QB 1 105 LEU H 3.110 . 3.610 2.349 2.253 2.445 . 0 0 "[ . 1 . 2]" 6
391 1 130 ILE MD 1 139 GLU H 7.500 . 8.000 5.065 4.311 5.530 . 0 0 "[ . 1 . 2]" 6
392 1 87 GLU QG 1 88 ALA H 4.760 . 5.260 4.051 3.733 4.227 . 0 0 "[ . 1 . 2]" 6
393 1 87 GLU QB 1 88 ALA H 3.480 . 3.980 2.611 2.555 2.712 . 0 0 "[ . 1 . 2]" 6
394 1 122 ASP H 1 125 ILE HG12 5.500 . 6.000 4.601 4.228 4.833 . 0 0 "[ . 1 . 2]" 6
395 1 123 GLU H 1 125 ILE HG12 5.500 . 6.000 5.135 4.760 5.450 . 0 0 "[ . 1 . 2]" 6
396 1 121 VAL HB 1 122 ASP H 2.700 . 3.200 2.510 2.034 3.716 0.516 10 2 "[ . -+ . 2]" 6
397 1 124 MET QG 1 125 ILE H 3.740 . 4.240 3.089 1.883 4.165 . 0 0 "[ . 1 . 2]" 6
398 1 104 GLU H 1 104 GLU QB 2.500 . 3.000 2.351 2.281 2.395 . 0 0 "[ . 1 . 2]" 6
399 1 89 PHE QB 1 99 TYR H 7.500 2.990 8.000 4.555 4.277 4.747 . 0 0 "[ . 1 . 2]" 6
400 1 93 ASP QB 1 99 TYR H 5.500 . 6.000 4.134 3.341 4.341 . 0 0 "[ . 1 . 2]" 6
401 1 130 ILE MG 1 132 GLY H 5.500 . 6.000 4.996 4.723 5.493 . 0 0 "[ . 1 . 2]" 6
402 1 130 ILE MD 1 132 GLY H 7.500 . 8.000 5.385 5.175 5.606 . 0 0 "[ . 1 . 2]" 6
403 1 116 LEU HB2 1 120 GLU H 4.640 . 5.140 5.127 3.955 5.832 0.692 5 8 "[- **+* 1 *** 2]" 6
404 1 126 ARG H 1 135 GLN H 6.500 . 7.000 7.273 6.934 7.555 0.555 5 4 "[ * + 1 *- 2]" 6
405 1 85 ILE H 1 85 ILE MD 4.620 . 5.120 3.157 2.913 3.882 . 0 0 "[ . 1 . 2]" 6
406 1 86 ARG H 1 86 ARG HB2 4.140 . 4.640 2.479 2.395 2.554 . 0 0 "[ . 1 . 2]" 6
407 1 86 ARG H 1 86 ARG QG 3.940 . 4.440 3.951 3.918 4.001 . 0 0 "[ . 1 . 2]" 6
408 1 89 PHE H 1 89 PHE QE 4.800 . 5.300 4.932 4.692 5.101 . 0 0 "[ . 1 . 2]" 6
409 1 89 PHE H 1 89 PHE QD 4.970 . 5.470 2.839 2.361 3.216 . 0 0 "[ . 1 . 2]" 6
410 1 86 ARG HA 1 89 PHE H 4.320 . 4.820 3.401 3.263 3.498 . 0 0 "[ . 1 . 2]" 6
411 1 88 ALA MB 1 89 PHE H 3.550 . 4.050 2.465 2.232 2.542 . 0 0 "[ . 1 . 2]" 6
412 1 93 ASP QB 1 94 LYS H 5.470 . 5.970 3.804 3.325 3.951 . 0 0 "[ . 1 . 2]" 6
413 1 96 GLY H 1 98 GLY H 5.460 . 5.960 5.512 3.266 6.684 0.724 20 10 "[****. *-* . **+]" 6
414 1 94 LYS QB 1 96 GLY H 5.250 . 5.750 4.806 4.403 5.645 . 0 0 "[ . 1 . 2]" 6
415 1 100 ILE H 1 136 VAL H 5.110 . 5.610 3.732 3.140 4.128 . 0 0 "[ . 1 . 2]" 6
416 1 89 PHE QE 1 100 ILE H 7.500 . 8.000 2.496 2.009 3.476 . 0 0 "[ . 1 . 2]" 6
417 1 100 ILE H 1 136 VAL HB 4.580 . 5.080 3.698 3.237 4.067 . 0 0 "[ . 1 . 2]" 6
418 1 92 PHE QB 1 101 SER H 7.500 2.600 8.000 4.377 4.012 4.975 . 0 0 "[ . 1 . 2]" 6
419 1 100 ILE MG 1 101 SER H 4.160 . 4.660 2.822 2.580 3.061 . 0 0 "[ . 1 . 2]" 6
420 1 102 ALA H 1 103 ALA H 4.020 . 4.520 2.764 2.544 2.915 . 0 0 "[ . 1 . 2]" 6
421 1 102 ALA H 1 125 ILE MG 5.300 . 5.800 4.236 3.534 4.895 . 0 0 "[ . 1 . 2]" 6
422 1 102 ALA H 1 125 ILE MD 5.330 . 5.830 3.988 3.760 4.171 . 0 0 "[ . 1 . 2]" 6
423 1 103 ALA H 1 106 ARG H 5.290 . 5.790 4.652 4.464 4.768 . 0 0 "[ . 1 . 2]" 6
424 1 103 ALA H 1 104 GLU QG 4.820 . 5.320 4.185 4.064 4.349 . 0 0 "[ . 1 . 2]" 6
425 1 103 ALA H 1 105 LEU QB 5.130 . 5.630 4.675 4.375 4.895 . 0 0 "[ . 1 . 2]" 6
426 1 101 SER H 1 104 GLU H 4.580 . 5.080 3.532 3.363 3.664 . 0 0 "[ . 1 . 2]" 6
427 1 100 ILE HA 1 104 GLU H 5.500 . 6.000 5.437 5.276 5.609 . 0 0 "[ . 1 . 2]" 6
428 1 100 ILE MG 1 104 GLU H 4.570 . 5.070 4.520 4.418 4.601 . 0 0 "[ . 1 . 2]" 6
429 1 104 GLU QG 1 105 LEU H 4.680 . 5.180 3.972 3.881 4.055 . 0 0 "[ . 1 . 2]" 6
430 1 103 ALA HA 1 106 ARG H 4.050 . 4.550 3.484 3.370 3.535 . 0 0 "[ . 1 . 2]" 6
431 1 103 ALA MB 1 106 ARG H 5.270 . 5.770 4.548 4.439 4.605 . 0 0 "[ . 1 . 2]" 6
432 1 105 LEU HG 1 106 ARG H 5.480 . 5.980 3.983 3.534 4.941 . 0 0 "[ . 1 . 2]" 6
433 1 106 ARG HB2 1 107 HIS H 4.730 . 5.230 3.722 2.666 3.868 . 0 0 "[ . 1 . 2]" 6
434 1 106 ARG QG 1 107 HIS H 4.880 . 5.380 3.800 3.673 4.082 . 0 0 "[ . 1 . 2]" 6
435 1 108 VAL MG1 1 109 MET H 5.010 . 5.510 2.571 1.947 3.599 . 0 0 "[ . 1 . 2]" 6
436 1 109 MET H 1 112 LEU MD2 5.130 . 5.630 3.862 3.536 5.015 . 0 0 "[ . 1 . 2]" 6
437 1 108 VAL MG2 1 109 MET H 5.010 . 5.510 3.991 3.755 4.221 . 0 0 "[ . 1 . 2]" 6
438 1 110 THR H 1 112 LEU H 4.840 . 5.340 4.328 3.885 4.542 . 0 0 "[ . 1 . 2]" 6
439 1 106 ARG HA 1 110 THR H 5.500 . 6.000 4.202 4.015 4.343 . 0 0 "[ . 1 . 2]" 6
440 1 108 VAL HA 1 111 ASN H 4.990 . 5.490 3.261 3.002 3.550 . 0 0 "[ . 1 . 2]" 6
441 1 111 ASN H 1 112 LEU HB2 6.500 . 7.000 6.483 4.279 6.696 . 0 0 "[ . 1 . 2]" 6
442 1 112 LEU HG 1 113 GLY H 2.580 . 3.080 2.765 1.918 3.895 0.815 8 1 "[ . + 1 . 2]" 6
443 1 114 GLU QB 1 116 LEU H 4.650 . 5.150 4.130 2.291 5.097 . 0 0 "[ . 1 . 2]" 6
444 1 116 LEU H 1 120 GLU QG 5.500 . 6.000 5.636 4.832 5.866 . 0 0 "[ . 1 . 2]" 6
445 1 117 THR H 1 120 GLU QG 4.370 . 4.870 2.650 1.897 3.683 . 0 0 "[ . 1 . 2]" 6
446 1 117 THR MG 1 120 GLU H 4.430 . 4.930 4.248 3.480 4.591 . 0 0 "[ . 1 . 2]" 6
447 1 102 ALA MB 1 122 ASP H 6.500 . 7.000 4.354 3.403 4.772 . 0 0 "[ . 1 . 2]" 6
448 1 121 VAL MG1 1 122 ASP H 4.580 . 5.080 3.285 2.839 3.854 . 0 0 "[ . 1 . 2]" 6
449 1 121 VAL MG2 1 122 ASP H 4.580 . 5.080 3.327 1.832 3.772 . 0 0 "[ . 1 . 2]" 6
450 1 123 GLU H 1 125 ILE H 4.490 . 4.990 4.201 3.969 4.413 . 0 0 "[ . 1 . 2]" 6
451 1 121 VAL HA 1 124 MET H 4.880 . 5.380 3.327 3.069 3.495 . 0 0 "[ . 1 . 2]" 6
452 1 122 ASP HA 1 126 ARG H 5.500 . 6.000 4.252 3.897 4.500 . 0 0 "[ . 1 . 2]" 6
453 1 125 ILE HG13 1 126 ARG H 5.500 . 6.000 4.996 4.781 5.128 . 0 0 "[ . 1 . 2]" 6
454 1 125 ILE MG 1 128 ALA H 5.040 . 5.540 4.477 4.076 4.970 . 0 0 "[ . 1 . 2]" 6
455 1 125 ILE MD 1 128 ALA H 5.500 . 6.000 4.731 4.528 5.141 . 0 0 "[ . 1 . 2]" 6
456 1 129 ASP HA 1 135 GLN H 4.990 . 5.490 4.694 4.293 5.186 . 0 0 "[ . 1 . 2]" 6
457 1 125 ILE HG13 1 135 GLN H 5.450 . 5.950 5.592 5.080 6.017 0.067 2 0 "[ . 1 . 2]" 6
458 1 125 ILE MG 1 135 GLN H 4.300 . 4.800 2.883 2.637 3.064 . 0 0 "[ . 1 . 2]" 6
459 1 135 GLN QB 1 136 VAL H 4.990 . 5.490 2.554 2.415 2.888 . 0 0 "[ . 1 . 2]" 6
460 1 138 TYR QD 1 139 GLU H 5.030 . 5.530 3.131 2.849 3.370 . 0 0 "[ . 1 . 2]" 6
461 1 137 ASN H 1 140 GLU H 4.860 . 5.360 3.668 3.526 3.856 . 0 0 "[ . 1 . 2]" 6
462 1 140 GLU H 1 143 GLN H 5.500 . 6.000 4.393 4.277 4.544 . 0 0 "[ . 1 . 2]" 6
463 1 139 GLU QB 1 140 GLU H 2.830 . 3.330 2.807 2.551 3.523 0.193 17 0 "[ . 1 . 2]" 6
464 1 141 PHE H 1 142 VAL MG2 6.500 . 7.000 3.725 3.574 4.000 . 0 0 "[ . 1 . 2]" 6
465 1 141 PHE QD 1 142 VAL H 5.390 . 5.890 2.641 2.200 3.643 . 0 0 "[ . 1 . 2]" 6
466 1 142 VAL HB 1 143 GLN H 4.200 . 4.700 3.721 2.506 4.071 . 0 0 "[ . 1 . 2]" 6
467 1 143 GLN H 1 145 MET HB2 5.210 . 5.710 5.799 5.404 6.227 0.517 12 1 "[ . 1 + . 2]" 6
468 1 143 GLN H 1 145 MET HG2 6.500 . 7.000 6.702 6.178 6.970 . 0 0 "[ . 1 . 2]" 6
469 1 142 VAL MG1 1 143 GLN H 4.370 . 4.870 3.867 3.346 4.011 . 0 0 "[ . 1 . 2]" 6
470 1 142 VAL MG2 1 143 GLN H 4.370 . 4.870 2.302 1.892 3.898 . 0 0 "[ . 1 . 2]" 6
471 1 141 PHE HA 1 144 MET H 4.940 . 5.440 3.416 3.234 3.635 . 0 0 "[ . 1 . 2]" 6
472 1 143 GLN QG 1 144 MET H 5.170 . 5.670 4.095 3.774 4.572 . 0 0 "[ . 1 . 2]" 6
473 1 143 GLN QB 1 144 MET H 3.810 . 4.310 2.808 2.709 2.864 . 0 0 "[ . 1 . 2]" 6
474 1 143 GLN QB 1 145 MET H 5.370 . 5.870 5.203 4.935 5.332 . 0 0 "[ . 1 . 2]" 6
475 1 144 MET QG 1 145 MET H 3.500 . 4.000 2.744 2.258 3.089 . 0 0 "[ . 1 . 2]" 6
476 1 146 THR MG 1 147 ALA H 4.130 . 4.630 2.934 1.924 4.300 . 0 0 "[ . 1 . 2]" 6
477 1 119 GLU H 1 121 VAL H 4.970 . 5.470 4.071 3.892 4.333 . 0 0 "[ . 1 . 2]" 6
478 1 88 ALA H 1 141 PHE QE 7.500 2.300 8.000 5.438 4.344 5.879 . 0 0 "[ . 1 . 2]" 6
479 1 101 SER H 1 102 ALA H 5.500 . 6.000 4.584 4.556 4.621 . 0 0 "[ . 1 . 2]" 6
480 1 102 ALA H 1 105 LEU H 5.500 . 6.000 4.764 4.680 4.894 . 0 0 "[ . 1 . 2]" 6
481 1 114 GLU H 1 115 LYS H 4.200 . 4.700 2.999 1.995 4.465 . 0 0 "[ . 1 . 2]" 6
482 1 115 LYS H 1 116 LEU H 4.320 . 4.820 3.378 1.878 4.546 . 0 0 "[ . 1 . 2]" 6
483 1 117 THR H 1 118 ASP H 5.500 . 6.000 4.492 3.652 4.641 . 0 0 "[ . 1 . 2]" 6
484 1 136 VAL H 1 137 ASN H 5.500 . 6.000 4.371 4.324 4.406 . 0 0 "[ . 1 . 2]" 6
485 1 137 ASN H 1 138 TYR H 4.800 . 5.300 4.412 4.310 4.526 . 0 0 "[ . 1 . 2]" 6
486 1 140 GLU H 1 141 PHE HA 5.500 . 6.000 5.331 5.245 5.466 . 0 0 "[ . 1 . 2]" 6
487 1 124 MET H 1 124 MET QG 3.840 . 4.340 3.293 1.943 3.945 . 0 0 "[ . 1 . 2]" 6
488 1 122 ASP HA 1 125 ILE H 3.580 . 4.080 3.591 3.353 3.674 . 0 0 "[ . 1 . 2]" 6
489 1 91 VAL H 1 92 PHE QB 4.430 . 4.930 4.185 3.772 4.492 . 0 0 "[ . 1 . 2]" 6
490 1 89 PHE HA 1 91 VAL H 5.060 . 5.560 4.131 3.920 4.286 . 0 0 "[ . 1 . 2]" 6
491 1 86 ARG H 1 86 ARG QD 5.210 . 5.710 4.264 4.052 4.591 . 0 0 "[ . 1 . 2]" 6
492 1 91 VAL H 1 93 ASP H 4.870 . 5.370 4.022 3.787 4.162 . 0 0 "[ . 1 . 2]" 6
493 1 94 LYS HG3 1 96 GLY H 5.500 . 6.000 6.333 5.701 6.880 0.880 1 7 "[+ *. - *1 .* * *]" 6
494 1 100 ILE H 1 137 ASN HA 5.310 . 5.810 3.512 2.854 4.060 . 0 0 "[ . 1 . 2]" 6
495 1 99 TYR QD 1 100 ILE H 5.500 . 6.000 4.053 2.883 4.399 . 0 0 "[ . 1 . 2]" 6
496 1 99 TYR H 1 100 ILE H 5.500 . 6.000 4.439 4.371 4.529 . 0 0 "[ . 1 . 2]" 6
497 1 100 ILE HB 1 101 SER H 5.500 . 6.000 4.270 4.202 4.377 . 0 0 "[ . 1 . 2]" 6
498 1 101 SER H 1 103 ALA H 5.500 . 6.000 4.998 4.707 5.171 . 0 0 "[ . 1 . 2]" 6
499 1 109 MET H 1 109 MET HB3 4.090 . 4.590 3.516 3.401 3.563 . 0 0 "[ . 1 . 2]" 6
500 1 117 THR H 1 120 GLU H 5.500 . 6.000 3.279 2.744 3.881 . 0 0 "[ . 1 . 2]" 6
501 1 117 THR H 1 121 VAL H 5.500 . 6.000 4.416 3.266 5.178 . 0 0 "[ . 1 . 2]" 6
502 1 125 ILE MG 1 127 GLU H 5.500 . 6.000 5.078 4.963 5.233 . 0 0 "[ . 1 . 2]" 6
503 1 125 ILE MD 1 127 GLU H 6.500 . 7.000 5.255 5.133 5.442 . 0 0 "[ . 1 . 2]" 6
504 1 132 GLY H 1 134 GLY H 4.280 . 4.780 4.583 3.883 5.540 0.760 10 2 "[ . + . -]" 6
505 1 137 ASN H 1 141 PHE HB3 5.500 . 6.000 6.051 5.544 6.371 0.371 18 0 "[ . 1 . 2]" 6
506 1 142 VAL H 1 144 MET H 5.500 . 6.000 4.101 4.001 4.220 . 0 0 "[ . 1 . 2]" 6
507 1 85 ILE MD 1 145 MET H 7.500 . 8.000 5.886 5.215 6.158 . 0 0 "[ . 1 . 2]" 6
508 1 143 GLN HA 1 146 THR H 5.050 . 5.550 3.973 3.712 4.603 . 0 0 "[ . 1 . 2]" 6
509 1 86 ARG HA 1 138 TYR QD 6.500 . 7.000 4.077 3.153 6.310 . 0 0 "[ . 1 . 2]" 6
510 1 138 TYR HA 1 138 TYR QD 3.840 . 4.340 2.918 2.768 3.713 . 0 0 "[ . 1 . 2]" 6
511 1 85 ILE MG 1 138 TYR QD 6.500 . 7.000 3.125 2.555 3.539 . 0 0 "[ . 1 . 2]" 6
512 1 138 TYR HA 1 141 PHE QD 5.500 . 6.000 3.946 2.748 4.445 . 0 0 "[ . 1 . 2]" 6
513 1 88 ALA MB 1 141 PHE QD 6.500 . 7.000 4.108 3.462 4.500 . 0 0 "[ . 1 . 2]" 6
514 1 138 TYR HB3 1 141 PHE QD 7.500 . 8.000 6.285 4.434 6.568 . 0 0 "[ . 1 . 2]" 6
515 1 85 ILE MG 1 141 PHE QD 7.500 . 8.000 2.404 1.925 2.974 0.075 7 0 "[ . 1 . 2]" 6
516 1 100 ILE MD 1 141 PHE QD 5.500 . 6.000 2.726 2.195 3.387 . 0 0 "[ . 1 . 2]" 6
517 1 89 PHE QD 1 92 PHE QD 6.500 . 7.000 3.344 1.829 3.952 . 0 0 "[ . 1 . 2]" 6
518 1 92 PHE QD 1 105 LEU HA 7.500 . 8.000 3.476 2.852 4.658 . 0 0 "[ . 1 . 2]" 6
519 1 89 PHE HA 1 92 PHE QD 4.630 . 5.130 1.831 1.589 2.997 . 0 0 "[ . 1 . 2]" 6
520 1 92 PHE QE 1 105 LEU HA 6.500 . 7.000 3.904 3.443 4.632 . 0 0 "[ . 1 . 2]" 6
521 1 138 TYR HA 1 141 PHE QE 6.500 . 7.000 5.899 4.953 6.331 . 0 0 "[ . 1 . 2]" 6
522 1 88 ALA MB 1 141 PHE QE 5.080 . 5.580 2.977 2.061 3.371 . 0 0 "[ . 1 . 2]" 6
523 1 85 ILE MG 1 141 PHE HZ 6.500 . 7.000 3.452 2.964 4.029 . 0 0 "[ . 1 . 2]" 6
524 1 99 TYR QE 1 137 ASN QB 7.500 . 8.000 4.348 3.182 6.875 . 0 0 "[ . 1 . 2]" 6
525 1 86 ARG HA 1 138 TYR QE 7.500 . 8.000 3.473 1.959 7.838 . 0 0 "[ . 1 . 2]" 6
526 1 99 TYR HA 1 99 TYR QD 4.250 . 4.750 2.750 1.951 3.698 . 0 0 "[ . 1 . 2]" 6
527 1 99 TYR QD 1 137 ASN QB 6.500 . 7.000 3.858 3.115 5.229 . 0 0 "[ . 1 . 2]" 6
528 1 99 TYR QD 1 100 ILE HB 6.500 . 7.000 6.035 4.474 6.431 . 0 0 "[ . 1 . 2]" 6
529 1 89 PHE QE 1 100 ILE HB 7.500 . 8.000 3.843 3.402 4.378 . 0 0 "[ . 1 . 2]" 6
530 1 89 PHE QE 1 141 PHE HA 7.500 . 8.000 5.358 4.256 6.386 . 0 0 "[ . 1 . 2]" 6
531 1 141 PHE QE 1 142 VAL H 5.500 . 6.000 4.680 4.453 5.079 . 0 0 "[ . 1 . 2]" 6
532 1 124 MET ME 1 125 ILE H 6.500 . 7.000 5.070 4.790 5.285 . 0 0 "[ . 1 . 2]" 6
533 1 124 MET H 1 124 MET ME 4.880 . 5.380 4.375 3.846 4.629 . 0 0 "[ . 1 . 2]" 6
534 1 125 ILE MD 1 135 GLN H 5.500 . 6.000 5.318 5.229 5.392 . 0 0 "[ . 1 . 2]" 6
535 1 105 LEU H 1 125 ILE MD 5.340 . 5.840 4.520 3.857 4.854 . 0 0 "[ . 1 . 2]" 6
536 1 144 MET ME 1 145 MET HG2 3.950 . 4.450 4.074 3.836 4.259 . 0 0 "[ . 1 . 2]" 6
537 1 130 ILE MG 1 131 ASP H 4.320 . 4.820 3.734 3.336 4.255 . 0 0 "[ . 1 . 2]" 6
538 1 130 ILE H 1 130 ILE MG 4.560 . 5.060 3.184 2.146 4.091 . 0 0 "[ . 1 . 2]" 6
539 1 105 LEU HG 1 109 MET ME 4.460 . 4.960 3.244 2.332 4.379 . 0 0 "[ . 1 . 2]" 6
540 1 109 MET HA 1 109 MET ME 5.500 . 6.000 3.542 2.429 4.098 . 0 0 "[ . 1 . 2]" 6
541 1 106 ARG HA 1 109 MET ME 7.500 . 8.000 4.063 3.499 4.816 . 0 0 "[ . 1 . 2]" 6
542 1 88 ALA MB 1 91 VAL H 5.350 . 5.850 4.514 4.410 4.648 . 0 0 "[ . 1 . 2]" 6
543 1 88 ALA MB 1 92 PHE QD 6.500 . 7.000 3.144 2.555 4.383 . 0 0 "[ . 1 . 2]" 6
544 1 88 ALA MB 1 92 PHE QE 6.500 . 7.000 2.078 1.824 3.679 . 0 0 "[ . 1 . 2]" 6
545 1 87 GLU QB 1 88 ALA MB 5.500 . 6.000 3.867 3.802 3.958 . 0 0 "[ . 1 . 2]" 6
546 1 145 MET H 1 145 MET ME 5.500 . 6.000 3.582 3.272 3.747 . 0 0 "[ . 1 . 2]" 6
547 1 143 GLN HA 1 147 ALA MB 5.500 . 6.000 3.233 1.908 4.040 . 0 0 "[ . 1 . 2]" 6
548 1 141 PHE H 1 142 VAL MG1 5.500 . 6.000 4.465 4.208 5.584 . 0 0 "[ . 1 . 2]" 6
549 1 142 VAL H 1 142 VAL MG1 3.800 . 4.300 2.269 1.965 3.664 . 0 0 "[ . 1 . 2]" 6
550 1 128 ALA H 1 128 ALA MB 2.550 . 3.050 2.124 1.969 2.462 . 0 0 "[ . 1 . 2]" 6
551 1 128 ALA MB 1 130 ILE MD 7.500 . 8.000 4.054 2.537 5.003 . 0 0 "[ . 1 . 2]" 6
552 1 128 ALA MB 1 144 MET QB 5.220 . 5.720 3.242 2.175 3.914 . 0 0 "[ . 1 . 2]" 6
553 1 141 PHE QE 1 142 VAL MG2 7.500 . 8.000 5.086 3.555 5.811 . 0 0 "[ . 1 . 2]" 6
554 1 109 MET ME 1 116 LEU MD2 6.500 . 7.000 3.045 2.072 3.620 . 0 0 "[ . 1 . 2]" 6
555 1 116 LEU MD2 1 120 GLU QB 5.000 . 5.500 2.337 1.794 3.252 . 0 0 "[ . 1 . 2]" 6
556 1 114 GLU H 1 116 LEU HG 5.500 . 6.000 5.776 4.455 6.571 0.571 1 5 "[+ **. 1 *-. 2]" 6
557 1 122 ASP HA 1 125 ILE HB 3.690 . 4.190 3.113 2.539 3.455 . 0 0 "[ . 1 . 2]" 6
558 1 125 ILE HB 1 125 ILE HG13 2.930 . 3.430 2.567 2.516 2.615 . 0 0 "[ . 1 . 2]" 6
559 1 92 PHE H 1 94 LYS QE 6.500 . 7.000 5.438 5.122 5.607 . 0 0 "[ . 1 . 2]" 6
560 1 133 ASP HA 1 135 GLN H 5.500 . 6.000 4.628 4.441 5.313 . 0 0 "[ . 1 . 2]" 6
561 1 103 ALA H 1 104 GLU HA 5.170 . 5.670 5.398 5.357 5.435 . 0 0 "[ . 1 . 2]" 6
562 1 104 GLU HA 1 107 HIS H 4.670 . 5.170 3.289 3.162 3.411 . 0 0 "[ . 1 . 2]" 6
563 1 104 GLU HA 1 107 HIS HD2 5.500 . 6.000 5.010 4.474 5.261 . 0 0 "[ . 1 . 2]" 6
564 1 138 TYR HA 1 141 PHE H 5.500 . 6.000 3.582 3.131 3.899 . 0 0 "[ . 1 . 2]" 6
565 1 141 PHE QE 1 142 VAL HA 6.500 . 7.000 3.816 3.490 4.455 . 0 0 "[ . 1 . 2]" 6
566 1 92 PHE H 1 92 PHE QD 4.790 . 5.290 3.073 2.565 3.425 . 0 0 "[ . 1 . 2]" 6
567 1 86 ARG H 1 86 ARG HB3 4.140 . 4.640 2.429 2.374 2.521 . 0 0 "[ . 1 . 2]" 6
568 1 142 VAL H 1 142 VAL HB 3.920 . 4.420 3.370 2.325 3.558 . 0 0 "[ . 1 . 2]" 6
569 1 84 GLU H 1 84 GLU QG 3.300 . 3.800 2.301 1.963 3.986 0.186 19 0 "[ . 1 . 2]" 6
570 1 85 ILE H 1 85 ILE QG 3.850 . 4.350 2.062 1.967 2.689 . 0 0 "[ . 1 . 2]" 6
571 1 85 ILE H 1 86 ARG QB 5.340 . 5.840 4.265 4.101 4.370 . 0 0 "[ . 1 . 2]" 6
572 1 85 ILE MG 1 142 VAL QG 6.500 . 7.000 1.949 1.741 2.363 . 0 0 "[ . 1 . 2]" 6
573 1 85 ILE QG 1 142 VAL QG 7.500 . 8.000 2.891 2.267 3.990 . 0 0 "[ . 1 . 2]" 6
574 1 86 ARG H 1 86 ARG QB 3.420 . 3.920 2.182 2.174 2.197 . 0 0 "[ . 1 . 2]" 6
575 1 88 ALA H 1 91 VAL QG 6.500 2.050 7.000 3.775 3.691 3.862 . 0 0 "[ . 1 . 2]" 6
576 1 88 ALA HA 1 91 VAL QG 5.500 . 6.000 1.845 1.795 1.947 . 0 0 "[ . 1 . 2]" 6
577 1 88 ALA MB 1 91 VAL QG 6.500 . 7.000 3.139 3.080 3.216 . 0 0 "[ . 1 . 2]" 6
578 1 89 PHE H 1 91 VAL QG 6.500 2.080 7.000 3.927 3.818 4.034 . 0 0 "[ . 1 . 2]" 6
579 1 89 PHE QB 1 90 ARG QG 7.500 . 8.000 3.529 3.243 5.292 . 0 0 "[ . 1 . 2]" 6
580 1 89 PHE QE 1 98 GLY QA 7.500 2.160 8.000 4.001 3.564 4.647 . 0 0 "[ . 1 . 2]" 6
581 1 90 ARG H 1 90 ARG QG 4.830 . 5.330 2.308 2.045 3.882 . 0 0 "[ . 1 . 2]" 6
582 1 90 ARG H 1 91 VAL QG 5.290 . 5.790 3.563 3.349 3.669 . 0 0 "[ . 1 . 2]" 6
583 1 90 ARG HB2 1 91 VAL QG 4.240 . 4.740 3.006 2.739 3.848 . 0 0 "[ . 1 . 2]" 6
584 1 90 ARG QD 1 90 ARG QG 2.310 . 2.810 2.094 2.048 2.114 . 0 0 "[ . 1 . 2]" 6
585 1 91 VAL H 1 91 VAL QG 2.810 . 3.310 1.929 1.809 2.021 . 0 0 "[ . 1 . 2]" 6
586 1 91 VAL HA 1 91 VAL QG 2.690 . 3.190 2.349 2.241 2.469 . 0 0 "[ . 1 . 2]" 6
587 1 91 VAL QG 1 92 PHE H 3.410 . 3.910 2.115 1.918 2.646 . 0 0 "[ . 1 . 2]" 6
588 1 91 VAL QG 1 92 PHE HA 5.500 . 6.000 3.195 3.099 3.402 . 0 0 "[ . 1 . 2]" 6
589 1 91 VAL QG 1 92 PHE QD 6.500 . 7.000 3.317 2.166 3.583 . 0 0 "[ . 1 . 2]" 6
590 1 91 VAL QG 1 92 PHE QE 6.500 . 7.000 3.814 2.092 4.269 . 0 0 "[ . 1 . 2]" 6
591 1 91 VAL QG 1 93 ASP H 6.500 . 7.000 4.053 3.920 4.216 . 0 0 "[ . 1 . 2]" 6
592 1 92 PHE QE 1 105 LEU QD 7.500 . 8.000 3.431 2.768 4.568 . 0 0 "[ . 1 . 2]" 6
593 1 92 PHE QE 1 108 VAL QG 4.500 . 5.000 1.882 1.694 2.241 . 0 0 "[ . 1 . 2]" 6
594 1 93 ASP H 1 94 LYS QD 5.340 . 5.840 4.270 3.521 5.411 . 0 0 "[ . 1 . 2]" 6
595 1 94 LYS H 1 94 LYS QD 3.670 . 4.170 2.353 1.851 3.780 . 0 0 "[ . 1 . 2]" 6
596 1 94 LYS H 1 95 ASP QB 5.500 . 6.000 4.495 4.214 4.662 . 0 0 "[ . 1 . 2]" 6
597 1 94 LYS HA 1 94 LYS QD 4.030 . 4.530 2.484 1.860 3.942 . 0 0 "[ . 1 . 2]" 6
598 1 94 LYS QD 1 95 ASP H 4.640 . 5.140 4.236 3.564 4.804 . 0 0 "[ . 1 . 2]" 6
599 1 94 LYS QD 1 96 GLY H 6.500 . 7.000 5.509 5.194 5.896 . 0 0 "[ . 1 . 2]" 6
600 1 95 ASP H 1 95 ASP QB 3.620 . 4.120 2.288 1.911 3.143 . 0 0 "[ . 1 . 2]" 6
601 1 96 GLY QA 1 97 ASN H 2.950 . 3.450 2.664 2.289 2.938 . 0 0 "[ . 1 . 2]" 6
602 1 97 ASN H 1 97 ASN QB 3.100 . 3.600 2.729 2.093 3.111 . 0 0 "[ . 1 . 2]" 6
603 1 97 ASN H 1 98 GLY QA 5.010 . 5.510 4.396 3.715 5.336 . 0 0 "[ . 1 . 2]" 6
604 1 97 ASN HA 1 97 ASN QB 2.650 . 3.150 2.225 2.183 2.451 . 0 0 "[ . 1 . 2]" 6
605 1 97 ASN QB 1 99 TYR H 4.900 . 5.400 3.436 2.310 3.843 . 0 0 "[ . 1 . 2]" 6
606 1 97 ASN HD21 1 98 GLY QA 6.500 . 7.000 5.268 3.886 6.353 . 0 0 "[ . 1 . 2]" 6
607 1 99 TYR H 1 99 TYR QB 3.320 . 3.820 2.606 2.491 3.171 . 0 0 "[ . 1 . 2]" 6
608 1 99 TYR H 1 100 ILE QG 4.530 . 5.030 4.635 4.417 4.847 . 0 0 "[ . 1 . 2]" 6
609 1 100 ILE H 1 100 ILE QG 4.460 . 4.960 2.323 2.197 2.474 . 0 0 "[ . 1 . 2]" 6
610 1 100 ILE HB 1 136 VAL QG 4.110 . 4.610 3.101 2.950 3.249 . 0 0 "[ . 1 . 2]" 6
611 1 100 ILE QG 1 101 SER H 4.910 . 5.410 4.247 4.158 4.304 . 0 0 "[ . 1 . 2]" 6
612 1 100 ILE MD 1 136 VAL QG 6.500 . 7.000 2.849 2.603 3.081 . 0 0 "[ . 1 . 2]" 6
613 1 102 ALA H 1 135 GLN QG 6.500 . 7.000 4.022 2.622 6.516 . 0 0 "[ . 1 . 2]" 6
614 1 102 ALA HA 1 105 LEU QD 6.500 . 7.000 3.268 2.885 3.558 . 0 0 "[ . 1 . 2]" 6
615 1 102 ALA HA 1 121 VAL QG 5.500 . 6.000 2.920 2.068 4.478 . 0 0 "[ . 1 . 2]" 6
616 1 102 ALA MB 1 121 VAL QG 6.500 . 7.000 2.068 1.660 3.213 . 0 0 "[ . 1 . 2]" 6
617 1 103 ALA HA 1 106 ARG QD 4.590 . 5.090 3.437 2.331 4.843 . 0 0 "[ . 1 . 2]" 6
618 1 103 ALA HA 1 121 VAL QG 6.500 . 7.000 3.897 3.305 4.930 . 0 0 "[ . 1 . 2]" 6
619 1 105 LEU H 1 105 LEU QD 4.000 . 4.500 3.589 3.524 3.701 . 0 0 "[ . 1 . 2]" 6
620 1 105 LEU QD 1 106 ARG H 3.790 . 4.290 3.668 3.324 3.813 . 0 0 "[ . 1 . 2]" 6
621 1 105 LEU QD 1 107 HIS H 7.500 2.060 8.000 4.770 4.495 4.918 . 0 0 "[ . 1 . 2]" 6
622 1 105 LEU QD 1 108 VAL H 6.000 . 6.500 3.946 3.605 4.130 . 0 0 "[ . 1 . 2]" 6
623 1 105 LEU QD 1 109 MET H 7.000 . 7.500 3.710 3.036 4.148 . 0 0 "[ . 1 . 2]" 6
624 1 105 LEU QD 1 109 MET QG 6.500 . 7.000 2.975 1.892 4.014 . 0 0 "[ . 1 . 2]" 6
625 1 105 LEU QD 1 109 MET ME 4.500 . 5.000 2.400 1.714 3.008 . 0 0 "[ . 1 . 2]" 6
626 1 105 LEU QD 1 121 VAL HB 8.500 . 9.000 5.237 3.494 6.105 . 0 0 "[ . 1 . 2]" 6
627 1 105 LEU QD 1 125 ILE H 5.440 . 5.940 4.074 3.385 4.631 . 0 0 "[ . 1 . 2]" 6
628 1 106 ARG H 1 109 MET QG 4.600 . 5.100 4.085 3.624 4.861 . 0 0 "[ . 1 . 2]" 6
629 1 106 ARG HA 1 106 ARG QD 4.650 . 5.150 3.916 1.978 4.162 . 0 0 "[ . 1 . 2]" 6
630 1 106 ARG HA 1 121 VAL QG 7.500 . 8.000 3.482 2.382 4.110 . 0 0 "[ . 1 . 2]" 6
631 1 106 ARG HB2 1 106 ARG QD 3.500 . 4.000 2.409 2.343 2.444 . 0 0 "[ . 1 . 2]" 6
632 1 106 ARG HB2 1 121 VAL QG 6.500 . 7.000 2.762 2.090 3.846 . 0 0 "[ . 1 . 2]" 6
633 1 106 ARG HB3 1 106 ARG QD 3.500 . 4.000 2.501 2.389 3.310 . 0 0 "[ . 1 . 2]" 6
634 1 106 ARG HB3 1 109 MET QG 7.500 . 8.000 4.774 4.502 5.387 . 0 0 "[ . 1 . 2]" 6
635 1 108 VAL H 1 108 VAL QG 3.460 . 3.960 2.473 1.952 2.862 . 0 0 "[ . 1 . 2]" 6
636 1 108 VAL HA 1 108 VAL QG 2.610 . 3.110 2.138 1.906 2.246 . 0 0 "[ . 1 . 2]" 6
637 1 108 VAL QG 1 109 MET H 4.160 . 4.660 2.489 1.943 3.289 . 0 0 "[ . 1 . 2]" 6
638 1 108 VAL QG 1 109 MET HA 5.500 . 6.000 3.219 2.980 3.672 . 0 0 "[ . 1 . 2]" 6
639 1 108 VAL QG 1 111 ASN QB 7.500 . 8.000 3.133 2.689 3.443 . 0 0 "[ . 1 . 2]" 6
640 1 108 VAL QG 1 112 LEU HB3 7.500 . 8.000 4.903 4.521 5.454 . 0 0 "[ . 1 . 2]" 6
641 1 109 MET H 1 109 MET QB 3.510 . 4.010 2.407 2.037 2.542 . 0 0 "[ . 1 . 2]" 6
642 1 109 MET H 1 109 MET QG 3.830 . 4.330 2.093 1.865 3.362 . 0 0 "[ . 1 . 2]" 6
643 1 109 MET QB 1 111 ASN H 5.340 . 5.840 4.587 4.514 4.669 . 0 0 "[ . 1 . 2]" 6
644 1 109 MET QG 1 110 THR H 5.340 . 5.840 3.864 3.584 4.429 . 0 0 "[ . 1 . 2]" 6
645 1 109 MET QG 1 116 LEU MD1 5.500 . 6.000 2.814 1.705 4.592 . 0 0 "[ . 1 . 2]" 6
646 1 109 MET QG 1 116 LEU MD2 8.000 2.500 8.500 3.524 1.840 4.570 0.660 8 2 "[- . + 1 . 2]" 6
647 1 109 MET QG 1 121 VAL QG 6.500 . 7.000 3.731 2.091 4.546 . 0 0 "[ . 1 . 2]" 6
648 1 112 LEU HA 1 113 GLY QA 4.510 . 5.010 4.144 4.065 4.290 . 0 0 "[ . 1 . 2]" 6
649 1 113 GLY H 1 113 GLY QA 2.430 . 2.930 2.417 2.264 2.505 . 0 0 "[ . 1 . 2]" 6
650 1 113 GLY QA 1 114 GLU H 2.670 . 3.170 2.230 2.123 2.574 . 0 0 "[ . 1 . 2]" 6
651 1 113 GLY QA 1 114 GLU HA 5.340 . 5.840 4.077 3.958 4.251 . 0 0 "[ . 1 . 2]" 6
652 1 115 LYS H 1 115 LYS QB 3.120 . 3.620 2.938 2.260 3.475 . 0 0 "[ . 1 . 2]" 6
653 1 116 LEU HB2 1 121 VAL QG 6.500 . 7.000 3.062 1.903 4.074 . 0 0 "[ . 1 . 2]" 6
654 1 116 LEU MD1 1 121 VAL QG 7.500 . 8.000 2.893 1.870 4.033 . 0 0 "[ . 1 . 2]" 6
655 1 116 LEU MD2 1 121 VAL QG 7.500 . 8.000 3.295 2.100 4.374 . 0 0 "[ . 1 . 2]" 6
656 1 117 THR HB 1 119 GLU QB 4.500 . 5.000 3.358 2.778 3.991 . 0 0 "[ . 1 . 2]" 6
657 1 117 THR MG 1 118 ASP QB 6.000 . 6.500 4.174 3.021 5.114 . 0 0 "[ . 1 . 2]" 6
658 1 117 THR MG 1 119 GLU QB 5.500 . 6.000 3.805 2.472 4.515 . 0 0 "[ . 1 . 2]" 6
659 1 118 ASP H 1 118 ASP QB 3.550 . 4.050 2.336 2.148 3.262 . 0 0 "[ . 1 . 2]" 6
660 1 118 ASP HA 1 118 ASP QB 2.580 . 3.080 2.367 2.200 2.421 . 0 0 "[ . 1 . 2]" 6
661 1 118 ASP HA 1 121 VAL QG 4.410 . 4.910 2.639 1.841 3.423 . 0 0 "[ . 1 . 2]" 6
662 1 118 ASP QB 1 119 GLU H 3.760 . 4.260 2.850 2.340 3.660 . 0 0 "[ . 1 . 2]" 6
663 1 119 GLU H 1 119 GLU QB 2.340 . 2.840 2.184 2.167 2.223 . 0 0 "[ . 1 . 2]" 6
664 1 119 GLU HA 1 122 ASP QB 4.500 . 5.000 2.614 2.312 2.982 . 0 0 "[ . 1 . 2]" 6
665 1 119 GLU QB 1 120 GLU HA 4.960 . 5.460 4.148 3.976 4.202 . 0 0 "[ . 1 . 2]" 6
666 1 120 GLU H 1 121 VAL QG 5.190 . 5.690 3.765 3.305 3.972 . 0 0 "[ . 1 . 2]" 6
667 1 120 GLU HA 1 121 VAL QG 7.500 . 8.000 4.571 4.293 4.701 . 0 0 "[ . 1 . 2]" 6
668 1 121 VAL H 1 121 VAL QG 3.550 . 4.050 1.996 1.732 2.124 . 0 0 "[ . 1 . 2]" 6
669 1 121 VAL QG 1 122 ASP H 3.770 . 4.270 2.760 1.828 3.173 . 0 0 "[ . 1 . 2]" 6
670 1 121 VAL QG 1 122 ASP QB 6.500 . 7.000 4.080 2.904 4.464 . 0 0 "[ . 1 . 2]" 6
671 1 121 VAL QG 1 124 MET QG 6.500 . 7.000 4.047 3.035 4.664 . 0 0 "[ . 1 . 2]" 6
672 1 122 ASP H 1 122 ASP QB 3.160 . 3.660 2.325 2.163 2.389 . 0 0 "[ . 1 . 2]" 6
673 1 125 ILE H 1 136 VAL QG 7.500 2.060 8.000 4.363 4.291 4.434 . 0 0 "[ . 1 . 2]" 6
674 1 125 ILE HA 1 136 VAL QG 4.850 . 5.350 2.286 2.157 2.480 . 0 0 "[ . 1 . 2]" 6
675 1 125 ILE MG 1 134 GLY QA 3.620 . 4.120 2.647 2.093 2.973 . 0 0 "[ . 1 . 2]" 6
676 1 125 ILE MG 1 135 GLN QG 5.500 . 6.000 3.796 3.470 4.108 . 0 0 "[ . 1 . 2]" 6
677 1 125 ILE MG 1 136 VAL QG 5.500 . 6.000 1.885 1.760 2.138 . 0 0 "[ . 1 . 2]" 6
678 1 125 ILE HG12 1 136 VAL QG 7.500 2.290 8.000 4.027 3.941 4.078 . 0 0 "[ . 1 . 2]" 6
679 1 125 ILE HG13 1 136 VAL QG 7.000 . 7.500 3.541 3.162 3.843 . 0 0 "[ . 1 . 2]" 6
680 1 125 ILE MD 1 136 VAL QG 5.500 . 6.000 1.760 1.736 1.791 . 0 0 "[ . 1 . 2]" 6
681 1 126 ARG H 1 126 ARG QG 3.920 . 4.420 3.455 2.251 4.003 . 0 0 "[ . 1 . 2]" 6
682 1 128 ALA HA 1 140 GLU QB 5.500 . 6.000 3.574 2.834 4.222 . 0 0 "[ . 1 . 2]" 6
683 1 128 ALA MB 1 140 GLU QB 5.240 . 5.740 1.993 1.745 2.370 . 0 0 "[ . 1 . 2]" 6
684 1 130 ILE H 1 140 GLU QG 4.350 . 4.850 2.941 1.972 4.753 . 0 0 "[ . 1 . 2]" 6
685 1 130 ILE MD 1 140 GLU QB 3.830 . 4.330 3.233 2.545 3.593 . 0 0 "[ . 1 . 2]" 6
686 1 130 ILE MD 1 140 GLU QG 3.750 . 4.250 1.805 1.652 1.954 . 0 0 "[ . 1 . 2]" 6
687 1 131 ASP H 1 132 GLY QA 5.500 . 6.000 4.437 4.307 4.729 . 0 0 "[ . 1 . 2]" 6
688 1 131 ASP QB 1 132 GLY H 3.900 . 4.400 3.369 1.901 3.868 . 0 0 "[ . 1 . 2]" 6
689 1 131 ASP QB 1 133 ASP H 3.970 . 4.470 3.724 2.423 4.474 0.004 9 0 "[ . 1 . 2]" 6
690 1 132 GLY QA 1 133 ASP H 2.920 . 3.420 2.796 2.575 2.935 . 0 0 "[ . 1 . 2]" 6
691 1 133 ASP H 1 133 ASP QB 2.800 . 3.300 2.655 2.577 2.761 . 0 0 "[ . 1 . 2]" 6
692 1 133 ASP QB 1 135 GLN H 5.500 . 6.000 3.842 3.696 3.970 . 0 0 "[ . 1 . 2]" 6
693 1 133 ASP QB 1 135 GLN QG 6.500 . 7.000 4.051 2.657 4.874 . 0 0 "[ . 1 . 2]" 6
694 1 134 GLY H 1 135 GLN QG 5.340 . 5.840 4.375 2.568 4.788 . 0 0 "[ . 1 . 2]" 6
695 1 135 GLN H 1 135 GLN QG 3.750 . 4.250 2.848 2.098 3.178 . 0 0 "[ . 1 . 2]" 6
696 1 135 GLN H 1 136 VAL QG 6.500 . 7.000 4.171 4.064 4.330 . 0 0 "[ . 1 . 2]" 6
697 1 135 GLN QG 1 136 VAL H 3.400 . 3.900 3.776 3.284 3.944 0.044 18 0 "[ . 1 . 2]" 6
698 1 136 VAL H 1 136 VAL QG 4.030 . 4.530 2.408 2.252 2.528 . 0 0 "[ . 1 . 2]" 6
699 1 136 VAL HA 1 136 VAL QG 2.570 . 3.070 2.058 1.971 2.120 . 0 0 "[ . 1 . 2]" 6
700 1 136 VAL QG 1 137 ASN H 4.090 . 4.590 2.685 2.556 2.867 . 0 0 "[ . 1 . 2]" 6
701 1 136 VAL QG 1 137 ASN QB 6.500 . 7.000 3.927 3.832 4.085 . 0 0 "[ . 1 . 2]" 6
702 1 136 VAL QG 1 138 TYR H 7.500 2.470 8.000 4.990 4.922 5.127 . 0 0 "[ . 1 . 2]" 6
703 1 136 VAL QG 1 138 TYR HA 7.500 . 8.000 4.688 4.436 4.920 . 0 0 "[ . 1 . 2]" 6
704 1 136 VAL QG 1 140 GLU H 5.190 . 5.690 3.738 3.487 3.922 . 0 0 "[ . 1 . 2]" 6
705 1 136 VAL QG 1 141 PHE H 5.500 . 6.000 2.678 2.538 2.782 . 0 0 "[ . 1 . 2]" 6
706 1 136 VAL QG 1 141 PHE HB3 5.500 . 6.000 3.735 3.388 4.022 . 0 0 "[ . 1 . 2]" 6
707 1 136 VAL QG 1 141 PHE QD 7.500 . 8.000 4.069 3.547 4.544 . 0 0 "[ . 1 . 2]" 6
708 1 136 VAL QG 1 144 MET ME 7.500 . 8.000 5.048 4.190 5.306 . 0 0 "[ . 1 . 2]" 6
709 1 137 ASN H 1 140 GLU QG 5.340 . 5.840 2.893 1.944 3.357 . 0 0 "[ . 1 . 2]" 6
710 1 137 ASN QD 1 139 GLU H 3.830 . 4.330 3.775 2.623 4.320 . 0 0 "[ . 1 . 2]" 6
711 1 137 ASN QD 1 140 GLU QG 6.500 . 7.000 4.473 3.704 5.537 . 0 0 "[ . 1 . 2]" 6
712 1 138 TYR HA 1 142 VAL QG 6.500 . 7.000 3.350 3.107 3.677 . 0 0 "[ . 1 . 2]" 6
713 1 138 TYR HB2 1 142 VAL QG 7.500 . 8.000 4.414 3.044 4.848 . 0 0 "[ . 1 . 2]" 6
714 1 138 TYR QD 1 139 GLU QG 6.500 . 7.000 3.934 2.697 5.197 . 0 0 "[ . 1 . 2]" 6
715 1 138 TYR QD 1 142 VAL QG 6.500 . 7.000 2.722 2.355 3.172 . 0 0 "[ . 1 . 2]" 6
716 1 138 TYR QE 1 142 VAL QG 6.500 . 7.000 2.667 2.292 4.064 . 0 0 "[ . 1 . 2]" 6
717 1 139 GLU H 1 139 GLU QG 3.640 . 4.140 2.785 1.967 4.006 . 0 0 "[ . 1 . 2]" 6
718 1 139 GLU HA 1 139 GLU QG 2.990 . 3.490 2.644 2.322 3.319 . 0 0 "[ . 1 . 2]" 6
719 1 139 GLU HA 1 142 VAL QG 4.450 . 4.950 2.043 1.831 2.910 . 0 0 "[ . 1 . 2]" 6
720 1 139 GLU QB 1 142 VAL QG 6.500 . 7.000 3.552 3.277 4.258 . 0 0 "[ . 1 . 2]" 6
721 1 140 GLU H 1 140 GLU QB 3.050 . 3.550 2.314 2.204 2.525 . 0 0 "[ . 1 . 2]" 6
722 1 140 GLU H 1 140 GLU QG 2.350 . 2.850 2.112 1.975 2.276 . 0 0 "[ . 1 . 2]" 6
723 1 140 GLU HA 1 140 GLU QB 2.520 . 3.020 2.387 2.316 2.427 . 0 0 "[ . 1 . 2]" 6
724 1 140 GLU HA 1 140 GLU QG 3.730 . 4.230 2.328 2.210 2.468 . 0 0 "[ . 1 . 2]" 6
725 1 140 GLU QG 1 141 PHE H 4.370 . 4.870 3.958 3.616 4.093 . 0 0 "[ . 1 . 2]" 6
726 1 141 PHE H 1 142 VAL QG 6.500 . 7.000 3.538 3.394 3.914 . 0 0 "[ . 1 . 2]" 6
727 1 141 PHE QD 1 142 VAL QG 5.440 . 5.940 2.200 1.836 3.298 . 0 0 "[ . 1 . 2]" 6
728 1 142 VAL QG 1 143 GLN H 3.720 . 4.220 2.193 1.888 3.210 . 0 0 "[ . 1 . 2]" 6
729 1 142 VAL QG 1 143 GLN HA 4.500 . 5.000 3.449 3.300 3.522 . 0 0 "[ . 1 . 2]" 6
730 1 142 VAL QG 1 143 GLN QB 6.500 . 7.000 3.277 2.943 4.272 . 0 0 "[ . 1 . 2]" 6
731 1 142 VAL QG 1 143 GLN QG 7.500 . 8.000 4.134 2.429 5.249 . 0 0 "[ . 1 . 2]" 6
732 1 142 VAL QG 1 144 MET H 5.300 . 5.800 4.051 3.884 4.464 . 0 0 "[ . 1 . 2]" 6
733 1 142 VAL QG 1 145 MET H 5.440 . 5.940 4.741 4.478 4.881 . 0 0 "[ . 1 . 2]" 6
734 1 142 VAL QG 1 146 THR HB 5.500 . 6.000 3.560 2.439 4.131 . 0 0 "[ . 1 . 2]" 6
735 1 142 VAL QG 1 146 THR MG 6.500 . 7.000 3.988 2.830 4.427 . 0 0 "[ . 1 . 2]" 6
736 1 147 ALA H 1 148 LYS QB 5.100 . 5.600 4.559 3.432 5.460 . 0 0 "[ . 1 . 2]" 6
737 1 148 LYS H 1 148 LYS QB 3.430 . 3.930 2.775 2.221 3.264 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 61
_Distance_constraint_stats_list.Viol_count 130
_Distance_constraint_stats_list.Viol_total 661.915
_Distance_constraint_stats_list.Viol_max 1.409
_Distance_constraint_stats_list.Viol_rms 0.1150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0271
_Distance_constraint_stats_list.Viol_average_violations_only 0.2546
_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 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 2.389 0.160 11 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 2.418 0.341 10 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 2.389 0.160 11 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 2.418 0.341 10 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.067 0.059 18 0 "[ . 1 . 2]"
1 28 THR 3.166 0.349 12 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.001 0.001 4 0 "[ . 1 . 2]"
1 32 LEU 3.166 0.349 12 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 10.707 0.978 12 8 "[ ** *1 + *. *-*2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 10.706 0.978 12 8 "[ ** *1 + *. *-*2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.526 0.105 18 0 "[ . 1 . 2]"
1 51 MET 13.822 1.409 17 6 "[ - . * *. +**2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.526 0.105 18 0 "[ . 1 . 2]"
1 55 VAL 13.822 1.409 17 6 "[ - . * *. +**2]"
1 63 ILE 0.067 0.059 18 0 "[ . 1 . 2]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 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 6 GLU O 1 10 ALA H 2.200 . 2.200 1.886 1.790 2.049 . 0 0 "[ . 1 . 2]" 7
2 1 6 GLU O 1 10 ALA N 3.300 . 3.300 2.827 2.709 2.926 . 0 0 "[ . 1 . 2]" 7
3 1 8 GLN O 1 12 PHE H 2.200 . 2.200 2.319 2.234 2.360 0.160 11 0 "[ . 1 . 2]" 7
4 1 9 ILE O 1 13 LYS H 2.200 . 2.200 1.989 1.708 2.076 . 0 0 "[ . 1 . 2]" 7
5 1 9 ILE O 1 13 LYS N 3.300 . 3.300 2.884 2.673 2.972 . 0 0 "[ . 1 . 2]" 7
6 1 11 GLU O 1 15 ALA H 2.200 . 2.200 2.058 2.013 2.094 . 0 0 "[ . 1 . 2]" 7
7 1 11 GLU O 1 15 ALA N 3.300 . 3.300 3.029 2.991 3.065 . 0 0 "[ . 1 . 2]" 7
8 1 12 PHE O 1 16 PHE H 2.200 . 2.200 1.757 1.720 1.789 . 0 0 "[ . 1 . 2]" 7
9 1 12 PHE O 1 16 PHE N 3.300 . 3.300 2.636 2.607 2.684 . 0 0 "[ . 1 . 2]" 7
10 1 13 LYS O 1 17 SER H 2.200 . 2.200 2.000 1.913 2.045 . 0 0 "[ . 1 . 2]" 7
11 1 13 LYS O 1 17 SER N 3.300 . 3.300 2.949 2.865 2.996 . 0 0 "[ . 1 . 2]" 7
12 1 14 GLU O 1 18 LEU H 2.200 . 2.200 2.061 1.964 2.118 . 0 0 "[ . 1 . 2]" 7
13 1 14 GLU O 1 18 LEU N 3.300 . 3.300 3.011 2.857 3.051 . 0 0 "[ . 1 . 2]" 7
14 1 27 ILE H 1 63 ILE O 2.200 . 2.200 1.904 1.752 2.060 . 0 0 "[ . 1 . 2]" 7
15 1 27 ILE N 1 63 ILE O 3.300 . 3.300 2.793 2.628 2.994 . 0 0 "[ . 1 . 2]" 7
16 1 27 ILE O 1 63 ILE H 2.200 . 2.200 2.125 2.040 2.259 0.059 18 0 "[ . 1 . 2]" 7
17 1 27 ILE O 1 63 ILE N 3.300 . 3.300 2.994 2.835 3.090 . 0 0 "[ . 1 . 2]" 7
18 1 28 THR O 1 32 LEU H 2.200 . 2.200 2.290 1.913 2.549 0.349 12 0 "[ . 1 . 2]" 7
19 1 28 THR O 1 32 LEU N 3.300 . 3.300 3.204 2.892 3.451 0.151 12 0 "[ . 1 . 2]" 7
20 1 29 THR O 1 33 GLY H 2.200 . 2.200 1.885 1.713 2.065 . 0 0 "[ . 1 . 2]" 7
21 1 29 THR O 1 33 GLY N 3.300 . 3.300 2.787 2.606 3.016 . 0 0 "[ . 1 . 2]" 7
22 1 31 GLU O 1 35 VAL H 2.200 . 2.200 2.042 1.903 2.201 0.001 4 0 "[ . 1 . 2]" 7
23 1 31 GLU O 1 35 VAL N 3.300 . 3.300 2.981 2.826 3.125 . 0 0 "[ . 1 . 2]" 7
24 1 32 LEU O 1 36 MET H 2.200 . 2.200 1.907 1.683 2.165 . 0 0 "[ . 1 . 2]" 7
25 1 32 LEU O 1 36 MET N 3.300 . 3.300 2.817 2.625 2.991 . 0 0 "[ . 1 . 2]" 7
26 1 33 GLY O 1 37 ARG H 2.200 . 2.200 1.985 1.812 2.077 . 0 0 "[ . 1 . 2]" 7
27 1 33 GLY O 1 37 ARG N 3.300 . 3.300 2.865 2.682 2.984 . 0 0 "[ . 1 . 2]" 7
28 1 35 VAL O 1 39 LEU H 2.200 . 2.200 2.597 2.133 3.178 0.978 12 8 "[ ** *1 + *. *-*2]" 7
29 1 35 VAL O 1 39 LEU N 3.300 . 3.300 3.344 3.013 3.770 0.470 12 0 "[ . 1 . 2]" 7
30 1 46 ALA O 1 50 ASP H 2.200 . 2.200 2.082 2.038 2.144 . 0 0 "[ . 1 . 2]" 7
31 1 46 ALA O 1 50 ASP N 3.300 . 3.300 2.978 2.911 3.025 . 0 0 "[ . 1 . 2]" 7
32 1 47 GLU O 1 51 MET H 2.200 . 2.200 1.925 1.780 2.034 . 0 0 "[ . 1 . 2]" 7
33 1 47 GLU O 1 51 MET N 3.300 . 3.300 2.876 2.732 2.996 . 0 0 "[ . 1 . 2]" 7
34 1 49 GLN O 1 53 ASN H 2.200 . 2.200 2.025 1.778 2.142 . 0 0 "[ . 1 . 2]" 7
35 1 49 GLN O 1 53 ASN N 3.300 . 3.300 2.896 2.686 3.030 . 0 0 "[ . 1 . 2]" 7
36 1 65 PHE O 1 69 LEU H 2.200 . 2.200 2.022 1.897 2.095 . 0 0 "[ . 1 . 2]" 7
37 1 65 PHE O 1 69 LEU N 3.300 . 3.300 2.962 2.842 3.046 . 0 0 "[ . 1 . 2]" 7
38 1 66 PRO O 1 70 THR H 2.200 . 2.200 1.916 1.712 2.095 . 0 0 "[ . 1 . 2]" 7
39 1 66 PRO O 1 70 THR N 3.300 . 3.300 2.829 2.636 3.016 . 0 0 "[ . 1 . 2]" 7
40 1 67 GLU O 1 71 MET H 2.200 . 2.200 2.055 2.023 2.088 . 0 0 "[ . 1 . 2]" 7
41 1 67 GLU O 1 71 MET N 3.300 . 3.300 2.998 2.890 3.040 . 0 0 "[ . 1 . 2]" 7
42 1 68 PHE O 1 72 MET H 2.200 . 2.200 2.034 1.792 2.087 . 0 0 "[ . 1 . 2]" 7
43 1 68 PHE O 1 72 MET N 3.300 . 3.300 2.973 2.696 3.047 . 0 0 "[ . 1 . 2]" 7
44 1 69 LEU O 1 73 ALA H 2.200 . 2.200 1.955 1.800 2.059 . 0 0 "[ . 1 . 2]" 7
45 1 69 LEU O 1 73 ALA N 3.300 . 3.300 2.869 2.678 3.002 . 0 0 "[ . 1 . 2]" 7
46 1 70 THR O 1 74 ARG H 2.200 . 2.200 2.004 1.798 2.073 . 0 0 "[ . 1 . 2]" 7
47 1 70 THR O 1 74 ARG N 3.300 . 3.300 2.886 2.584 3.036 . 0 0 "[ . 1 . 2]" 7
48 1 7 GLU O 1 11 GLU H 2.200 . 2.200 2.027 1.932 2.083 . 0 0 "[ . 1 . 2]" 7
49 1 7 GLU O 1 11 GLU N 3.300 . 3.300 2.975 2.867 3.028 . 0 0 "[ . 1 . 2]" 7
50 1 10 ALA O 1 14 GLU H 2.200 . 2.200 2.265 2.026 2.541 0.341 10 0 "[ . 1 . 2]" 7
51 1 10 ALA O 1 14 GLU N 3.300 . 3.300 3.191 2.973 3.455 0.155 10 0 "[ . 1 . 2]" 7
52 1 30 LYS O 1 34 THR H 2.200 . 2.200 2.049 1.883 2.127 . 0 0 "[ . 1 . 2]" 7
53 1 30 LYS O 1 34 THR N 3.300 . 3.300 3.002 2.811 3.090 . 0 0 "[ . 1 . 2]" 7
54 1 34 THR O 1 38 SER H 2.200 . 2.200 2.097 2.002 2.197 . 0 0 "[ . 1 . 2]" 7
55 1 34 THR O 1 38 SER N 3.300 . 3.300 3.026 2.909 3.095 . 0 0 "[ . 1 . 2]" 7
56 1 48 LEU O 1 52 ILE H 2.200 . 2.200 2.047 1.823 2.107 . 0 0 "[ . 1 . 2]" 7
57 1 48 LEU O 1 52 ILE N 3.300 . 3.300 2.975 2.725 3.042 . 0 0 "[ . 1 . 2]" 7
58 1 50 ASP O 1 54 GLU H 2.200 . 2.200 2.207 2.130 2.305 0.105 18 0 "[ . 1 . 2]" 7
59 1 50 ASP O 1 54 GLU N 3.300 . 3.300 2.938 2.786 3.064 . 0 0 "[ . 1 . 2]" 7
60 1 51 MET O 1 55 VAL H 2.200 . 2.200 2.632 2.134 3.609 1.409 17 6 "[ - . * *. +**2]" 7
61 1 51 MET O 1 55 VAL N 3.300 . 3.300 3.511 3.052 4.398 1.098 17 5 "[ . * *. +*-2]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 15
_Distance_constraint_stats_list.Viol_total 131.215
_Distance_constraint_stats_list.Viol_max 2.289
_Distance_constraint_stats_list.Viol_rms 0.0990
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.4374
_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 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.134 0.104 8 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASP 0.134 0.104 8 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 THR 4.388 2.289 18 1 "[ . 1 . + 2]"
1 118 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 4.388 2.289 18 1 "[ . 1 . + 2]"
1 122 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 MET 2.039 0.419 4 0 "[ . 1 . 2]"
1 125 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ALA 2.039 0.419 4 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 THR 0.000 0.000 . 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 85 ILE O 1 89 PHE H 2.800 . 2.800 2.132 2.092 2.168 . 0 0 "[ . 1 . 2]" 8
2 1 85 ILE O 1 89 PHE N 3.500 . 3.500 3.066 3.027 3.110 . 0 0 "[ . 1 . 2]" 8
3 1 86 ARG O 1 90 ARG H 2.800 . 2.800 1.986 1.825 2.080 . 0 0 "[ . 1 . 2]" 8
4 1 86 ARG O 1 90 ARG N 3.500 . 3.500 2.890 2.773 2.981 . 0 0 "[ . 1 . 2]" 8
5 1 87 GLU O 1 91 VAL H 2.800 . 2.800 2.081 1.950 2.169 . 0 0 "[ . 1 . 2]" 8
6 1 87 GLU O 1 91 VAL N 3.500 . 3.500 2.918 2.830 2.959 . 0 0 "[ . 1 . 2]" 8
7 1 88 ALA O 1 92 PHE H 2.800 . 2.800 1.976 1.768 2.333 . 0 0 "[ . 1 . 2]" 8
8 1 88 ALA O 1 92 PHE N 3.500 . 3.500 2.822 2.570 3.200 . 0 0 "[ . 1 . 2]" 8
9 1 89 PHE O 1 93 ASP H 2.800 . 2.800 2.306 1.639 2.742 . 0 0 "[ . 1 . 2]" 8
10 1 89 PHE O 1 93 ASP N 3.500 . 3.500 3.191 2.513 3.604 0.104 8 0 "[ . 1 . 2]" 8
11 1 100 ILE H 1 136 VAL O 2.800 . 2.800 1.997 1.768 2.111 . 0 0 "[ . 1 . 2]" 8
12 1 100 ILE N 1 136 VAL O 3.500 . 3.500 2.907 2.687 3.036 . 0 0 "[ . 1 . 2]" 8
13 1 100 ILE O 1 136 VAL H 2.800 . 2.800 1.949 1.736 2.102 . 0 0 "[ . 1 . 2]" 8
14 1 100 ILE O 1 136 VAL N 3.500 . 3.500 2.885 2.677 3.040 . 0 0 "[ . 1 . 2]" 8
15 1 101 SER O 1 105 LEU H 2.800 . 2.800 1.818 1.721 1.970 . 0 0 "[ . 1 . 2]" 8
16 1 101 SER O 1 105 LEU N 3.500 . 3.500 2.787 2.689 2.937 . 0 0 "[ . 1 . 2]" 8
17 1 102 ALA O 1 106 ARG H 2.800 . 2.800 2.070 2.014 2.142 . 0 0 "[ . 1 . 2]" 8
18 1 102 ALA O 1 106 ARG N 3.500 . 3.500 2.983 2.894 3.029 . 0 0 "[ . 1 . 2]" 8
19 1 103 ALA O 1 107 HIS H 2.800 . 2.800 2.096 2.064 2.147 . 0 0 "[ . 1 . 2]" 8
20 1 103 ALA O 1 107 HIS N 3.500 . 3.500 2.960 2.898 3.038 . 0 0 "[ . 1 . 2]" 8
21 1 104 GLU O 1 108 VAL H 2.800 . 2.800 2.120 2.049 2.216 . 0 0 "[ . 1 . 2]" 8
22 1 104 GLU O 1 108 VAL N 3.500 . 3.500 3.017 2.961 3.082 . 0 0 "[ . 1 . 2]" 8
23 1 105 LEU O 1 109 MET H 2.800 . 2.800 1.997 1.785 2.112 . 0 0 "[ . 1 . 2]" 8
24 1 105 LEU O 1 109 MET N 3.500 . 3.500 2.907 2.726 3.027 . 0 0 "[ . 1 . 2]" 8
25 1 117 THR O 1 121 VAL H 2.800 . 2.800 2.427 1.857 4.899 2.099 18 1 "[ . 1 . + 2]" 8
26 1 117 THR O 1 121 VAL N 3.500 . 3.500 3.339 2.801 5.789 2.289 18 1 "[ . 1 . + 2]" 8
27 1 118 ASP O 1 122 ASP H 2.800 . 2.800 2.057 1.962 2.116 . 0 0 "[ . 1 . 2]" 8
28 1 118 ASP O 1 122 ASP N 3.500 . 3.500 3.004 2.845 3.084 . 0 0 "[ . 1 . 2]" 8
29 1 119 GLU O 1 123 GLU H 2.800 . 2.800 1.996 1.778 2.110 . 0 0 "[ . 1 . 2]" 8
30 1 119 GLU O 1 123 GLU N 3.500 . 3.500 2.909 2.687 3.012 . 0 0 "[ . 1 . 2]" 8
31 1 120 GLU O 1 124 MET H 2.800 . 2.800 2.048 1.794 2.144 . 0 0 "[ . 1 . 2]" 8
32 1 120 GLU O 1 124 MET N 3.500 . 3.500 2.858 2.667 3.052 . 0 0 "[ . 1 . 2]" 8
33 1 121 VAL O 1 125 ILE H 2.800 . 2.800 2.001 1.762 2.130 . 0 0 "[ . 1 . 2]" 8
34 1 121 VAL O 1 125 ILE N 3.500 . 3.500 2.937 2.714 3.045 . 0 0 "[ . 1 . 2]" 8
35 1 122 ASP O 1 126 ARG H 2.800 . 2.800 2.089 1.928 2.183 . 0 0 "[ . 1 . 2]" 8
36 1 122 ASP O 1 126 ARG N 3.500 . 3.500 2.932 2.694 3.054 . 0 0 "[ . 1 . 2]" 8
37 1 123 GLU O 1 127 GLU H 2.800 . 2.800 2.123 2.065 2.184 . 0 0 "[ . 1 . 2]" 8
38 1 123 GLU O 1 127 GLU N 3.500 . 3.500 2.998 2.903 3.070 . 0 0 "[ . 1 . 2]" 8
39 1 124 MET O 1 128 ALA H 2.800 . 2.800 2.586 2.166 3.139 0.339 5 0 "[ . 1 . 2]" 8
40 1 124 MET O 1 128 ALA N 3.500 . 3.500 3.480 3.140 3.919 0.419 4 0 "[ . 1 . 2]" 8
41 1 125 ILE O 1 129 ASP H 2.800 . 2.800 1.818 1.617 2.486 . 0 0 "[ . 1 . 2]" 8
42 1 125 ILE O 1 129 ASP N 3.500 . 3.500 2.610 2.475 2.897 . 0 0 "[ . 1 . 2]" 8
43 1 138 TYR O 1 142 VAL H 2.800 . 2.800 2.026 1.631 2.212 . 0 0 "[ . 1 . 2]" 8
44 1 138 TYR O 1 142 VAL N 3.500 . 3.500 2.981 2.584 3.189 . 0 0 "[ . 1 . 2]" 8
45 1 139 GLU O 1 143 GLN H 2.800 . 2.800 2.057 1.850 2.116 . 0 0 "[ . 1 . 2]" 8
46 1 139 GLU O 1 143 GLN N 3.500 . 3.500 2.816 2.669 2.882 . 0 0 "[ . 1 . 2]" 8
47 1 140 GLU O 1 144 MET H 2.800 . 2.800 2.138 2.080 2.199 . 0 0 "[ . 1 . 2]" 8
48 1 140 GLU O 1 144 MET N 3.500 . 3.500 2.914 2.824 3.011 . 0 0 "[ . 1 . 2]" 8
49 1 141 PHE O 1 145 MET H 2.800 . 2.800 2.121 2.041 2.234 . 0 0 "[ . 1 . 2]" 8
50 1 141 PHE O 1 145 MET N 3.500 . 3.500 3.044 2.983 3.124 . 0 0 "[ . 1 . 2]" 8
51 1 142 VAL O 1 146 THR H 2.800 . 2.800 1.864 1.677 2.089 . 0 0 "[ . 1 . 2]" 8
52 1 142 VAL O 1 146 THR N 3.500 . 3.500 2.636 2.555 2.852 . 0 0 "[ . 1 . 2]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 ARG 0.000 0.000 . 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 2 4 ALA O 2 8 TRP H 2.800 . 2.800 1.740 1.658 1.910 . 0 0 "[ . 1 . 2]" 9
2 2 4 ALA O 2 8 TRP N 3.500 . 3.500 2.639 2.596 2.688 . 0 0 "[ . 1 . 2]" 9
3 2 5 LYS O 2 9 LEU H 2.800 . 2.800 2.073 1.902 2.189 . 0 0 "[ . 1 . 2]" 9
4 2 5 LYS O 2 9 LEU N 3.500 . 3.500 2.988 2.815 3.067 . 0 0 "[ . 1 . 2]" 9
5 2 6 ALA O 2 10 ARG H 2.800 . 2.800 2.085 2.051 2.144 . 0 0 "[ . 1 . 2]" 9
6 2 6 ALA O 2 10 ARG N 3.500 . 3.500 3.065 3.026 3.129 . 0 0 "[ . 1 . 2]" 9
7 2 7 ASN O 2 11 ALA H 2.800 . 2.800 1.963 1.836 2.053 . 0 0 "[ . 1 . 2]" 9
8 2 7 ASN O 2 11 ALA N 3.500 . 3.500 2.709 2.570 2.848 . 0 0 "[ . 1 . 2]" 9
9 2 8 TRP O 2 12 PHE H 2.800 . 2.800 2.190 2.112 2.269 . 0 0 "[ . 1 . 2]" 9
10 2 8 TRP O 2 12 PHE N 3.500 . 3.500 3.020 2.981 3.058 . 0 0 "[ . 1 . 2]" 9
11 2 9 LEU O 2 13 ASN H 2.800 . 2.800 2.100 2.031 2.154 . 0 0 "[ . 1 . 2]" 9
12 2 9 LEU O 2 13 ASN N 3.500 . 3.500 2.955 2.905 3.012 . 0 0 "[ . 1 . 2]" 9
13 2 10 ARG O 2 14 LYS H 2.800 . 2.800 1.849 1.730 1.940 . 0 0 "[ . 1 . 2]" 9
14 2 10 ARG O 2 14 LYS N 3.500 . 3.500 2.563 2.509 2.585 . 0 0 "[ . 1 . 2]" 9
15 2 11 ALA O 2 15 VAL H 2.800 . 2.800 2.259 2.189 2.318 . 0 0 "[ . 1 . 2]" 9
16 2 11 ALA O 2 15 VAL N 3.500 . 3.500 3.188 3.136 3.234 . 0 0 "[ . 1 . 2]" 9
17 2 12 PHE O 2 16 ARG H 2.800 . 2.800 2.074 1.814 2.151 . 0 0 "[ . 1 . 2]" 9
18 2 12 PHE O 2 16 ARG N 3.500 . 3.500 3.009 2.753 3.126 . 0 0 "[ . 1 . 2]" 9
stop_
save_
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