NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
630036 |
5yhn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5yhn
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 591
_Distance_constraint_stats_list.Viol_count 1647
_Distance_constraint_stats_list.Viol_total 2065.241
_Distance_constraint_stats_list.Viol_max 0.493
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0627
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.889 0.051 11 0 "[ . 1 . 2]"
1 3 LYS 0.421 0.033 20 0 "[ . 1 . 2]"
1 4 ASP 0.383 0.033 20 0 "[ . 1 . 2]"
1 5 PHE 5.514 0.171 7 0 "[ . 1 . 2]"
1 6 CYS 5.062 0.171 7 0 "[ . 1 . 2]"
1 7 LYS 1.244 0.076 12 0 "[ . 1 . 2]"
1 8 GLU 3.855 0.218 5 0 "[ . 1 . 2]"
1 9 TYR 1.425 0.093 12 0 "[ . 1 . 2]"
1 10 GLU 6.681 0.218 5 0 "[ . 1 . 2]"
1 11 LYS 3.356 0.128 11 0 "[ . 1 . 2]"
1 12 GLN 0.505 0.030 11 0 "[ . 1 . 2]"
1 13 VAL 1.383 0.134 18 0 "[ . 1 . 2]"
1 14 ARG 5.077 0.194 16 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 1.231 0.113 3 0 "[ . 1 . 2]"
1 18 LEU 1.507 0.113 3 0 "[ . 1 . 2]"
1 19 PHE 4.852 0.194 16 0 "[ . 1 . 2]"
1 20 CYS 0.706 0.130 5 0 "[ . 1 . 2]"
1 21 THR 3.364 0.181 11 0 "[ . 1 . 2]"
1 22 ARG 4.464 0.181 11 0 "[ . 1 . 2]"
1 23 GLU 2.284 0.195 16 0 "[ . 1 . 2]"
1 24 SER 2.756 0.195 16 0 "[ . 1 . 2]"
1 25 ASP 4.272 0.140 2 0 "[ . 1 . 2]"
1 26 PRO 3.433 0.162 14 0 "[ . 1 . 2]"
1 27 VAL 2.548 0.179 3 0 "[ . 1 . 2]"
1 28 ARG 0.133 0.057 1 0 "[ . 1 . 2]"
1 29 GLY 5.572 0.203 3 0 "[ . 1 . 2]"
1 30 PRO 5.173 0.203 3 0 "[ . 1 . 2]"
1 31 ASP 4.594 0.200 20 0 "[ . 1 . 2]"
1 32 GLY 4.747 0.187 12 0 "[ . 1 . 2]"
1 33 ARG 4.780 0.493 20 0 "[ . 1 . 2]"
1 34 MET 7.165 0.493 20 0 "[ . 1 . 2]"
1 35 HIS 2.489 0.200 20 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASN 2.616 0.186 3 0 "[ . 1 . 2]"
1 38 LYS 2.896 0.140 2 0 "[ . 1 . 2]"
1 39 CYS 2.320 0.186 3 0 "[ . 1 . 2]"
1 40 ALA 5.311 0.217 12 0 "[ . 1 . 2]"
1 41 LEU 11.135 0.217 12 0 "[ . 1 . 2]"
1 42 CYS 4.897 0.180 7 0 "[ . 1 . 2]"
1 43 ALA 3.684 0.168 1 0 "[ . 1 . 2]"
1 44 GLU 5.993 0.165 1 0 "[ . 1 . 2]"
1 45 ILE 2.699 0.165 1 0 "[ . 1 . 2]"
1 46 PHE 3.506 0.191 19 0 "[ . 1 . 2]"
1 47 LYS 0.485 0.078 20 0 "[ . 1 . 2]"
1 48 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 3.771 0.103 19 0 "[ . 1 . 2]"
1 50 PHE 9.424 0.199 10 0 "[ . 1 . 2]"
1 51 SER 1.763 0.060 5 0 "[ . 1 . 2]"
1 52 GLU 0.738 0.060 5 0 "[ . 1 . 2]"
1 53 GLU 0.605 0.068 17 0 "[ . 1 . 2]"
1 54 ASN 3.798 0.199 10 0 "[ . 1 . 2]"
1 55 SER 0.842 0.049 4 0 "[ . 1 . 2]"
1 56 LYS 0.529 0.083 20 0 "[ . 1 . 2]"
1 57 THR 1.634 0.437 20 0 "[ . 1 . 2]"
1 58 ASP 1.990 0.437 20 0 "[ . 1 . 2]"
1 59 GLN 0.767 0.083 20 0 "[ . 1 . 2]"
1 60 ASN 0.523 0.136 19 0 "[ . 1 . 2]"
1 61 LEU 0.387 0.037 20 0 "[ . 1 . 2]"
1 62 GLY 0.090 0.037 20 0 "[ . 1 . 2]"
1 63 LYS 2.858 0.148 20 0 "[ . 1 . 2]"
1 64 ALA 7.007 0.340 3 0 "[ . 1 . 2]"
1 65 GLU 4.123 0.239 13 0 "[ . 1 . 2]"
1 66 GLU 5.989 0.198 11 0 "[ . 1 . 2]"
1 67 LYS 4.910 0.340 3 0 "[ . 1 . 2]"
1 68 THR 2.554 0.152 4 0 "[ . 1 . 2]"
1 69 LYS 2.783 0.172 1 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 1 ALA HA 1 2 GLU H 2.900 . 2.900 2.273 2.140 2.555 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 GLU H 2.900 . 3.900 3.062 2.175 3.664 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 3 LYS H 5.000 . 6.000 3.021 2.367 3.888 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU HA 1 3 LYS H 3.500 . 3.500 3.502 3.500 3.503 0.003 6 0 "[ . 1 . 2]" 1
5 1 2 GLU H 1 2 GLU QB 2.900 . 3.500 2.646 2.561 2.695 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU QB 1 3 LYS H . . 3.500 3.224 2.768 3.496 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU QB 1 5 PHE H 5.000 . 6.000 4.436 4.375 4.508 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU H 1 2 GLU QG 3.500 . 4.500 2.122 1.941 2.528 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU QG 1 3 LYS H 5.000 . 6.000 2.783 1.973 4.208 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLU QG 1 4 ASP H 5.000 . 6.000 4.955 4.511 5.767 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS HA 1 4 ASP H 3.500 . 3.500 3.519 3.505 3.533 0.033 20 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 6 CYS H 5.000 . 5.000 3.494 3.424 3.571 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS H 1 3 LYS QB 2.900 . 3.500 2.290 2.103 2.600 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASP H 1 4 ASP QB 2.900 . 3.500 2.245 2.151 2.552 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASP QB 1 5 PHE H 5.000 . 6.000 2.876 2.767 3.549 . 0 0 "[ . 1 . 2]" 1
16 1 5 PHE H 1 5 PHE HA 2.900 . 2.900 2.856 2.854 2.858 . 0 0 "[ . 1 . 2]" 1
17 1 5 PHE HA 1 6 CYS H 5.000 . 5.000 3.476 3.470 3.482 . 0 0 "[ . 1 . 2]" 1
18 1 5 PHE HA 1 7 LYS H 5.000 . 5.000 3.902 3.865 3.944 . 0 0 "[ . 1 . 2]" 1
19 1 5 PHE H 1 5 PHE QD 5.000 . 7.000 3.513 2.217 4.127 . 0 0 "[ . 1 . 2]" 1
20 1 5 PHE QD 1 6 CYS H 5.000 . 7.000 4.262 4.010 4.352 . 0 0 "[ . 1 . 2]" 1
21 1 5 PHE H 1 6 CYS H 2.900 . 2.900 2.360 2.340 2.389 . 0 0 "[ . 1 . 2]" 1
22 1 5 PHE H 1 7 LYS H 3.500 . 3.500 3.432 3.400 3.467 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE H 1 8 GLU H 5.000 . 5.000 4.784 4.752 4.827 . 0 0 "[ . 1 . 2]" 1
24 1 6 CYS HA 1 7 LYS H 5.000 . 5.000 3.403 3.393 3.417 . 0 0 "[ . 1 . 2]" 1
25 1 6 CYS HA 1 8 GLU H 5.000 . 5.000 4.250 4.201 4.309 . 0 0 "[ . 1 . 2]" 1
26 1 6 CYS HA 1 9 TYR H 5.000 . 5.000 2.929 2.891 2.991 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLU H 1 6 CYS QB 5.000 . 6.000 6.011 6.000 6.029 0.029 1 0 "[ . 1 . 2]" 1
28 1 4 ASP H 1 6 CYS QB 5.000 . 6.000 4.906 4.745 5.026 . 0 0 "[ . 1 . 2]" 1
29 1 5 PHE H 1 6 CYS QB 2.900 . 3.900 4.047 4.019 4.071 0.171 7 0 "[ . 1 . 2]" 1
30 1 6 CYS QB 1 7 LYS H 5.000 . 6.000 3.339 3.122 3.485 . 0 0 "[ . 1 . 2]" 1
31 1 6 CYS QB 1 42 CYS H 2.900 . 3.900 3.917 3.840 4.059 0.159 7 0 "[ . 1 . 2]" 1
32 1 7 LYS HA 1 11 LYS H 5.000 . 5.000 5.057 4.980 5.076 0.076 12 0 "[ . 1 . 2]" 1
33 1 7 LYS H 1 7 LYS QB 2.900 . 3.500 2.245 2.118 2.270 . 0 0 "[ . 1 . 2]" 1
34 1 7 LYS QB 1 8 GLU H 5.000 . 6.000 2.442 2.408 2.592 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS H 1 7 LYS QD 5.000 . 6.000 4.268 4.026 4.543 . 0 0 "[ . 1 . 2]" 1
36 1 6 CYS H 1 7 LYS H 5.000 . 5.000 2.269 2.255 2.286 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS H 1 8 GLU H 5.000 . 5.000 2.502 2.474 2.537 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS H 1 10 GLU H 5.000 . 5.000 4.495 4.386 4.616 . 0 0 "[ . 1 . 2]" 1
39 1 8 GLU HA 1 9 TYR H 3.500 . 3.500 3.416 3.406 3.425 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLU HA 1 10 GLU H 3.500 . 3.500 3.693 3.674 3.718 0.218 5 0 "[ . 1 . 2]" 1
41 1 8 GLU H 1 8 GLU QB 3.500 . 4.100 2.280 2.212 2.300 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLU QB 1 9 TYR H 3.500 . 4.500 2.909 2.878 2.975 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLU QB 1 10 GLU H 5.000 . 6.000 4.561 4.513 4.613 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLU QB 1 11 LYS H 5.000 . 6.000 4.931 4.820 5.007 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLU QG 1 9 TYR H 5.000 . 6.000 4.114 3.889 4.417 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLU QG 1 10 GLU H 5.000 . 6.000 5.027 4.899 5.217 . 0 0 "[ . 1 . 2]" 1
47 1 8 GLU QG 1 11 LYS H 3.500 . 4.500 4.377 4.298 4.500 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLU H 1 9 TYR H 3.500 . 3.500 2.377 2.351 2.421 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLU H 1 10 GLU H 5.000 . 5.000 3.788 3.698 3.866 . 0 0 "[ . 1 . 2]" 1
50 1 9 TYR HA 1 10 GLU H 5.000 . 5.000 3.440 3.427 3.452 . 0 0 "[ . 1 . 2]" 1
51 1 9 TYR HA 1 11 LYS H 5.000 . 5.000 4.002 3.948 4.109 . 0 0 "[ . 1 . 2]" 1
52 1 9 TYR HA 1 12 GLN H 5.000 . 5.000 3.298 3.131 3.445 . 0 0 "[ . 1 . 2]" 1
53 1 9 TYR HA 1 13 VAL H 5.000 . 5.000 4.949 4.695 5.033 0.033 16 0 "[ . 1 . 2]" 1
54 1 5 PHE H 1 9 TYR QB 5.000 . 6.000 6.029 5.937 6.065 0.065 12 0 "[ . 1 . 2]" 1
55 1 7 LYS H 1 9 TYR QB 5.000 . 6.000 4.213 4.154 4.277 . 0 0 "[ . 1 . 2]" 1
56 1 9 TYR H 1 9 TYR QB 2.900 . 3.900 2.129 2.062 2.218 . 0 0 "[ . 1 . 2]" 1
57 1 9 TYR QB 1 10 GLU H 5.000 . 6.000 3.001 2.975 3.048 . 0 0 "[ . 1 . 2]" 1
58 1 9 TYR QB 1 12 GLN H 5.000 . 6.000 4.560 4.475 4.625 . 0 0 "[ . 1 . 2]" 1
59 1 9 TYR H 1 9 TYR QD 5.000 . 7.000 2.891 2.449 3.561 . 0 0 "[ . 1 . 2]" 1
60 1 9 TYR QD 1 10 GLU H 5.000 . 7.000 4.560 4.350 4.815 . 0 0 "[ . 1 . 2]" 1
61 1 9 TYR QD 1 11 LYS H 5.000 . 7.000 5.582 5.315 5.931 . 0 0 "[ . 1 . 2]" 1
62 1 9 TYR QD 1 13 VAL H 5.000 . 7.000 6.349 5.346 6.672 . 0 0 "[ . 1 . 2]" 1
63 1 9 TYR H 1 9 TYR QE 3.500 . 5.500 5.070 4.671 5.521 0.021 6 0 "[ . 1 . 2]" 1
64 1 9 TYR QE 1 10 GLU H 5.000 . 7.000 6.682 6.517 6.839 . 0 0 "[ . 1 . 2]" 1
65 1 9 TYR QE 1 39 CYS H 5.000 . 7.000 3.570 2.179 4.499 . 0 0 "[ . 1 . 2]" 1
66 1 9 TYR H 1 10 GLU H 2.900 . 2.900 2.380 2.334 2.410 . 0 0 "[ . 1 . 2]" 1
67 1 9 TYR H 1 10 GLU HA 5.000 . 5.000 4.990 4.947 5.014 0.014 5 0 "[ . 1 . 2]" 1
68 1 10 GLU H 1 10 GLU HA 2.900 . 2.900 2.834 2.825 2.842 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLU HA 1 11 LYS H 5.000 . 5.000 3.488 3.478 3.496 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU HA 1 12 GLN H 5.000 . 5.000 3.821 3.669 3.992 . 0 0 "[ . 1 . 2]" 1
71 1 10 GLU HA 1 13 VAL H 5.000 . 5.000 3.231 3.024 3.636 . 0 0 "[ . 1 . 2]" 1
72 1 7 LYS H 1 10 GLU QB 5.000 . 6.000 5.130 4.633 5.592 . 0 0 "[ . 1 . 2]" 1
73 1 9 TYR H 1 10 GLU QB 5.000 . 6.000 4.350 4.018 4.511 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU H 1 10 GLU QB 2.900 . 3.500 2.333 2.068 2.479 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLU QB 1 11 LYS H 5.000 . 6.000 2.889 2.566 3.422 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLU H 1 10 GLU QG 2.900 . 3.500 2.638 2.358 3.250 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLU QG 1 11 LYS H 5.000 . 6.000 3.468 1.921 4.512 . 0 0 "[ . 1 . 2]" 1
78 1 9 TYR H 1 10 GLU QG 5.000 . 6.000 4.263 3.853 4.954 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLU H 1 11 LYS HA 5.000 . 5.000 5.108 5.089 5.128 0.128 11 0 "[ . 1 . 2]" 1
80 1 11 LYS HA 1 12 GLN H 3.500 . 3.500 3.444 3.419 3.478 . 0 0 "[ . 1 . 2]" 1
81 1 11 LYS HA 1 13 VAL H 5.000 . 5.000 3.789 3.729 3.945 . 0 0 "[ . 1 . 2]" 1
82 1 10 GLU H 1 11 LYS QB 5.000 . 6.000 4.447 4.228 4.675 . 0 0 "[ . 1 . 2]" 1
83 1 11 LYS H 1 11 LYS QB 3.500 . 4.100 2.354 2.149 2.538 . 0 0 "[ . 1 . 2]" 1
84 1 11 LYS QB 1 12 GLN H 5.000 . 6.000 2.970 2.843 3.037 . 0 0 "[ . 1 . 2]" 1
85 1 11 LYS QB 1 13 VAL H 5.000 . 6.000 4.529 4.460 4.643 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLU H 1 11 LYS QG 5.000 . 6.000 5.289 4.872 5.929 . 0 0 "[ . 1 . 2]" 1
87 1 9 TYR H 1 11 LYS QG 5.000 . 6.000 5.322 4.807 5.932 . 0 0 "[ . 1 . 2]" 1
88 1 10 GLU H 1 11 LYS QG 5.000 . 6.000 4.281 3.834 4.815 . 0 0 "[ . 1 . 2]" 1
89 1 11 LYS H 1 11 LYS QG 3.500 . 4.100 2.442 1.986 2.931 . 0 0 "[ . 1 . 2]" 1
90 1 11 LYS QG 1 12 GLN H 5.000 . 6.000 4.289 4.093 4.500 . 0 0 "[ . 1 . 2]" 1
91 1 9 TYR H 1 11 LYS H 5.000 . 5.000 4.063 4.010 4.104 . 0 0 "[ . 1 . 2]" 1
92 1 10 GLU H 1 11 LYS H 3.500 . 3.500 2.489 2.455 2.533 . 0 0 "[ . 1 . 2]" 1
93 1 11 LYS H 1 12 GLN H 2.900 . 2.900 2.601 2.514 2.634 . 0 0 "[ . 1 . 2]" 1
94 1 11 LYS H 1 13 VAL H 5.000 . 5.000 3.920 3.826 4.137 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLN H 1 12 GLN HA 2.900 . 2.900 2.918 2.906 2.930 0.030 11 0 "[ . 1 . 2]" 1
96 1 12 GLN HA 1 13 VAL H 3.500 . 3.500 3.294 3.278 3.346 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLN H 1 12 GLN QB 2.900 . 3.500 2.705 2.582 2.847 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLN QB 1 13 VAL H 5.000 . 6.000 3.454 3.302 3.829 . 0 0 "[ . 1 . 2]" 1
99 1 9 TYR H 1 12 GLN QG 5.000 . 6.000 4.512 4.231 4.705 . 0 0 "[ . 1 . 2]" 1
100 1 10 GLU H 1 12 GLN QG 3.500 . 4.500 4.463 4.142 4.512 0.012 3 0 "[ . 1 . 2]" 1
101 1 11 LYS H 1 12 GLN QG 5.000 . 6.000 3.777 3.643 4.108 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLN QG 1 13 VAL H 3.500 . 4.500 3.777 2.897 4.267 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLN QG 1 19 PHE H 5.000 . 6.000 5.223 3.225 6.007 0.007 6 0 "[ . 1 . 2]" 1
104 1 12 GLN H 1 13 VAL H 2.900 . 2.900 2.280 2.151 2.440 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLN H 1 13 VAL HA 5.000 . 5.000 4.564 4.437 4.763 . 0 0 "[ . 1 . 2]" 1
106 1 13 VAL HA 1 14 ARG H 2.900 . 2.900 2.149 2.119 2.163 . 0 0 "[ . 1 . 2]" 1
107 1 13 VAL HA 1 17 ARG H 5.000 . 5.000 4.485 4.414 4.583 . 0 0 "[ . 1 . 2]" 1
108 1 13 VAL HA 1 18 LEU H 5.000 . 5.000 4.130 3.811 4.670 . 0 0 "[ . 1 . 2]" 1
109 1 11 LYS H 1 13 VAL HB 5.000 . 6.000 5.222 4.917 6.002 0.002 5 0 "[ . 1 . 2]" 1
110 1 12 GLN H 1 13 VAL HB 5.000 . 6.000 4.505 4.256 4.977 . 0 0 "[ . 1 . 2]" 1
111 1 13 VAL H 1 13 VAL HB 2.900 . 3.900 2.451 2.350 2.648 . 0 0 "[ . 1 . 2]" 1
112 1 10 GLU H 1 13 VAL QG 5.000 . 7.400 4.853 3.931 5.506 . 0 0 "[ . 1 . 2]" 1
113 1 11 LYS H 1 13 VAL QG 5.000 . 7.400 4.448 3.936 4.693 . 0 0 "[ . 1 . 2]" 1
114 1 13 VAL H 1 13 VAL QG 2.900 . 4.600 2.301 1.947 2.595 . 0 0 "[ . 1 . 2]" 1
115 1 13 VAL QG 1 14 ARG H . . 3.500 2.794 2.740 2.903 . 0 0 "[ . 1 . 2]" 1
116 1 13 VAL QG 1 15 ASN H 5.000 . 6.100 3.962 3.874 4.216 . 0 0 "[ . 1 . 2]" 1
117 1 13 VAL QG 1 17 ARG H 5.000 . 5.900 2.408 2.303 2.540 . 0 0 "[ . 1 . 2]" 1
118 1 13 VAL QG 1 18 LEU H 5.000 . 7.400 3.272 2.942 3.575 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLN H 1 13 VAL QG 5.000 . 7.400 3.843 3.402 4.030 . 0 0 "[ . 1 . 2]" 1
120 1 13 VAL QG 1 19 PHE H 5.000 . 7.400 4.317 3.912 4.541 . 0 0 "[ . 1 . 2]" 1
121 1 13 VAL H 1 14 ARG H 5.000 . 5.000 4.440 4.400 4.474 . 0 0 "[ . 1 . 2]" 1
122 1 14 ARG HA 1 15 ASN H 2.900 . 2.900 2.153 2.143 2.170 . 0 0 "[ . 1 . 2]" 1
123 1 14 ARG HA 1 17 ARG H 5.000 . 5.000 4.383 4.236 4.468 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL H 1 14 ARG QB 5.000 . 5.600 5.647 5.613 5.734 0.134 18 0 "[ . 1 . 2]" 1
125 1 14 ARG H 1 14 ARG QB 3.500 . 4.100 2.385 2.205 2.806 . 0 0 "[ . 1 . 2]" 1
126 1 14 ARG QB 1 15 ASN H 5.000 . 6.000 3.439 3.215 3.519 . 0 0 "[ . 1 . 2]" 1
127 1 14 ARG H 1 14 ARG QD 5.000 . 6.000 4.373 3.017 4.796 . 0 0 "[ . 1 . 2]" 1
128 1 14 ARG QD 1 17 ARG H 5.000 . 6.000 5.310 4.157 6.048 0.048 18 0 "[ . 1 . 2]" 1
129 1 13 VAL H 1 14 ARG QG 5.000 . 6.000 6.013 6.002 6.031 0.031 18 0 "[ . 1 . 2]" 1
130 1 14 ARG QG 1 15 ASN H 5.000 . 6.000 3.839 3.067 4.429 . 0 0 "[ . 1 . 2]" 1
131 1 14 ARG H 1 15 ASN H 5.000 . 5.000 4.409 4.385 4.457 . 0 0 "[ . 1 . 2]" 1
132 1 14 ARG H 1 17 ARG H 3.500 . 3.500 3.547 3.505 3.591 0.091 16 0 "[ . 1 . 2]" 1
133 1 15 ASN H 1 15 ASN HA 2.900 . 2.900 2.273 2.269 2.276 . 0 0 "[ . 1 . 2]" 1
134 1 15 ASN HA 1 17 ARG H 5.000 . 5.000 4.222 4.132 4.269 . 0 0 "[ . 1 . 2]" 1
135 1 15 ASN QB 1 17 ARG H 5.000 . 6.000 3.406 3.280 4.225 . 0 0 "[ . 1 . 2]" 1
136 1 15 ASN H 1 17 ARG H 5.000 . 5.000 4.035 3.929 4.094 . 0 0 "[ . 1 . 2]" 1
137 1 15 ASN H 1 16 GLY H 5.000 . 5.000 2.694 2.591 2.896 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLY H 1 17 ARG H 3.500 . 3.500 2.652 2.609 2.709 . 0 0 "[ . 1 . 2]" 1
139 1 17 ARG HA 1 18 LEU H 2.900 . 2.900 2.437 2.335 2.458 . 0 0 "[ . 1 . 2]" 1
140 1 17 ARG H 1 17 ARG QB 2.900 . 3.500 2.647 2.435 3.114 . 0 0 "[ . 1 . 2]" 1
141 1 17 ARG QD 1 18 LEU H 5.000 . 6.000 3.865 2.381 4.738 . 0 0 "[ . 1 . 2]" 1
142 1 17 ARG H 1 17 ARG QG . . 4.500 3.646 1.967 4.267 . 0 0 "[ . 1 . 2]" 1
143 1 17 ARG QG 1 18 LEU H . . 4.500 2.525 1.909 3.961 . 0 0 "[ . 1 . 2]" 1
144 1 17 ARG QG 1 19 PHE H 5.000 . 6.000 5.070 4.389 6.007 0.007 11 0 "[ . 1 . 2]" 1
145 1 17 ARG H 1 18 LEU H 5.000 . 5.000 4.474 4.446 4.481 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL H 1 18 LEU HA 5.000 . 5.000 3.969 3.764 4.486 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL H 1 18 LEU QB 5.000 . 6.000 3.944 3.359 5.147 . 0 0 "[ . 1 . 2]" 1
148 1 18 LEU H 1 18 LEU QB 2.900 . 3.900 2.683 2.219 2.780 . 0 0 "[ . 1 . 2]" 1
149 1 9 TYR H 1 18 LEU QD 5.000 . 6.700 4.213 3.752 4.835 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLN H 1 18 LEU QD 5.000 . 6.700 5.121 4.488 5.538 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL H 1 18 LEU QD 5.000 . 6.700 4.860 4.106 5.191 . 0 0 "[ . 1 . 2]" 1
152 1 18 LEU QD 1 19 PHE H 5.000 . 6.100 3.920 1.907 4.288 . 0 0 "[ . 1 . 2]" 1
153 1 18 LEU QD 1 43 ALA H 5.000 . 7.400 2.877 2.184 3.478 . 0 0 "[ . 1 . 2]" 1
154 1 18 LEU HG 1 20 CYS H 5.000 . 5.000 4.977 4.694 5.052 0.052 1 0 "[ . 1 . 2]" 1
155 1 19 PHE H 1 19 PHE HA 2.900 . 2.900 2.892 2.872 2.901 0.001 7 0 "[ . 1 . 2]" 1
156 1 19 PHE HA 1 20 CYS H 2.900 . 2.900 2.100 2.057 2.151 . 0 0 "[ . 1 . 2]" 1
157 1 19 PHE H 1 19 PHE QB 2.900 . 4.900 2.292 2.192 2.441 . 0 0 "[ . 1 . 2]" 1
158 1 19 PHE QB 1 20 CYS H 3.500 . 5.500 3.193 3.138 3.348 . 0 0 "[ . 1 . 2]" 1
159 1 19 PHE QB 1 21 THR H 5.000 . 7.400 5.753 5.642 5.958 . 0 0 "[ . 1 . 2]" 1
160 1 19 PHE QB 1 39 CYS H 5.000 . 7.400 6.964 6.838 7.409 0.009 5 0 "[ . 1 . 2]" 1
161 1 19 PHE QD 1 20 CYS H 5.000 . 7.400 3.838 3.634 4.383 . 0 0 "[ . 1 . 2]" 1
162 1 19 PHE QD 1 43 ALA H 5.000 . 7.400 7.496 7.470 7.568 0.168 1 0 "[ . 1 . 2]" 1
163 1 14 ARG H 1 19 PHE H 5.000 . 5.000 2.991 2.819 3.665 . 0 0 "[ . 1 . 2]" 1
164 1 18 LEU H 1 19 PHE H 5.000 . 5.000 4.376 4.359 4.438 . 0 0 "[ . 1 . 2]" 1
165 1 19 PHE H 1 20 CYS H 5.000 . 5.000 4.458 4.355 4.550 . 0 0 "[ . 1 . 2]" 1
166 1 20 CYS HA 1 21 THR H 2.900 . 2.900 2.273 2.256 2.303 . 0 0 "[ . 1 . 2]" 1
167 1 20 CYS HA 1 39 CYS H 5.000 . 5.000 3.495 3.151 3.773 . 0 0 "[ . 1 . 2]" 1
168 1 20 CYS H 1 20 CYS QB 3.500 . 3.500 2.906 2.834 2.968 . 0 0 "[ . 1 . 2]" 1
169 1 20 CYS QB 1 39 CYS H 2.900 . 3.900 2.459 1.870 3.818 . 0 0 "[ . 1 . 2]" 1
170 1 20 CYS QB 1 21 THR H 5.000 . 6.000 2.657 2.595 2.779 . 0 0 "[ . 1 . 2]" 1
171 1 20 CYS QB 1 40 ALA H 5.000 . 6.000 3.895 3.668 4.318 . 0 0 "[ . 1 . 2]" 1
172 1 20 CYS QB 1 41 LEU H 5.000 . 6.000 5.974 5.746 6.130 0.130 5 0 "[ . 1 . 2]" 1
173 1 21 THR H 1 21 THR HA 2.900 . 2.900 2.915 2.907 2.932 0.032 16 0 "[ . 1 . 2]" 1
174 1 21 THR HA 1 22 ARG H 2.900 . 2.900 2.387 2.344 2.402 . 0 0 "[ . 1 . 2]" 1
175 1 21 THR H 1 21 THR MG 2.900 . 3.900 2.760 1.959 3.837 . 0 0 "[ . 1 . 2]" 1
176 1 21 THR MG 1 22 ARG H 5.000 . 6.000 3.318 1.914 3.925 . 0 0 "[ . 1 . 2]" 1
177 1 21 THR H 1 22 ARG QB 5.000 . 6.000 6.025 4.259 6.181 0.181 11 0 "[ . 1 . 2]" 1
178 1 22 ARG H 1 22 ARG QB 2.900 . 3.500 2.235 2.115 3.159 . 0 0 "[ . 1 . 2]" 1
179 1 22 ARG QB 1 24 SER H 5.000 . 5.600 5.010 3.242 5.606 0.006 1 0 "[ . 1 . 2]" 1
180 1 22 ARG QD 1 23 GLU H 5.000 . 6.000 3.050 2.536 4.177 . 0 0 "[ . 1 . 2]" 1
181 1 21 THR H 1 22 ARG QG 5.000 . 6.000 5.931 5.861 6.057 0.057 9 0 "[ . 1 . 2]" 1
182 1 22 ARG H 1 22 ARG QG 3.500 . 4.500 3.047 1.806 4.056 . 0 0 "[ . 1 . 2]" 1
183 1 22 ARG QG 1 23 GLU H 5.000 . 6.000 2.229 1.934 4.940 . 0 0 "[ . 1 . 2]" 1
184 1 23 GLU H 1 23 GLU HA 2.900 . 2.900 2.823 2.249 2.896 . 0 0 "[ . 1 . 2]" 1
185 1 23 GLU HA 1 24 SER H 2.900 . 2.900 2.377 2.169 3.095 0.195 16 0 "[ . 1 . 2]" 1
186 1 22 ARG H 1 23 GLU QB 3.500 . 4.500 4.600 4.504 4.645 0.145 9 0 "[ . 1 . 2]" 1
187 1 23 GLU H 1 23 GLU QB 2.900 . 3.500 2.064 1.952 3.027 . 0 0 "[ . 1 . 2]" 1
188 1 23 GLU QB 1 24 SER H 3.500 . 4.500 3.900 3.564 3.956 . 0 0 "[ . 1 . 2]" 1
189 1 23 GLU H 1 23 GLU QG 3.500 . 4.500 3.505 3.392 3.803 . 0 0 "[ . 1 . 2]" 1
190 1 23 GLU QG 1 24 SER H 5.000 . 6.000 4.180 3.608 4.621 . 0 0 "[ . 1 . 2]" 1
191 1 21 THR H 1 24 SER HA 5.000 . 5.000 5.032 5.011 5.049 0.049 1 0 "[ . 1 . 2]" 1
192 1 24 SER HA 1 25 ASP H 2.900 . 2.900 2.294 2.131 2.413 . 0 0 "[ . 1 . 2]" 1
193 1 21 THR H 1 24 SER QB 5.000 . 5.600 4.961 4.725 5.622 0.022 16 0 "[ . 1 . 2]" 1
194 1 23 GLU H 1 24 SER QB 5.000 . 5.600 5.067 4.706 5.619 0.019 1 0 "[ . 1 . 2]" 1
195 1 24 SER H 1 24 SER QB 2.900 . 3.500 2.847 2.343 3.019 . 0 0 "[ . 1 . 2]" 1
196 1 24 SER QB 1 25 ASP H 2.900 . 3.900 3.824 3.600 4.008 0.108 6 0 "[ . 1 . 2]" 1
197 1 24 SER H 1 25 ASP HA 5.000 . 5.000 4.732 4.566 5.090 0.090 16 0 "[ . 1 . 2]" 1
198 1 25 ASP H 1 25 ASP QB 3.500 . 4.100 2.285 2.226 2.337 . 0 0 "[ . 1 . 2]" 1
199 1 24 SER H 1 25 ASP QB 3.500 . 4.500 4.584 4.531 4.633 0.133 3 0 "[ . 1 . 2]" 1
200 1 25 ASP QB 1 27 VAL H 5.000 . 6.000 5.962 5.837 6.002 0.002 17 0 "[ . 1 . 2]" 1
201 1 25 ASP QB 1 38 LYS H 5.000 . 6.000 6.098 6.039 6.140 0.140 2 0 "[ . 1 . 2]" 1
202 1 26 PRO HA 1 27 VAL H 2.900 . 2.900 2.092 2.073 2.115 . 0 0 "[ . 1 . 2]" 1
203 1 26 PRO QB 1 27 VAL H 3.500 . 4.500 2.969 2.901 3.014 . 0 0 "[ . 1 . 2]" 1
204 1 24 SER H 1 26 PRO QD 5.000 . 6.000 5.523 5.337 5.913 . 0 0 "[ . 1 . 2]" 1
205 1 25 ASP H 1 26 PRO QD 5.000 . 6.000 4.221 4.179 4.252 . 0 0 "[ . 1 . 2]" 1
206 1 26 PRO QD 1 27 VAL H 5.000 . 6.000 4.894 4.811 4.928 . 0 0 "[ . 1 . 2]" 1
207 1 26 PRO QD 1 34 MET H 5.000 . 6.000 6.111 6.067 6.162 0.162 14 0 "[ . 1 . 2]" 1
208 1 25 ASP H 1 26 PRO QG 5.000 . 6.000 5.968 5.498 6.037 0.037 5 0 "[ . 1 . 2]" 1
209 1 27 VAL HA 1 28 ARG H 2.900 . 2.900 2.474 2.442 2.500 . 0 0 "[ . 1 . 2]" 1
210 1 27 VAL H 1 27 VAL HB 2.900 . 3.500 3.020 2.903 3.614 0.114 2 0 "[ . 1 . 2]" 1
211 1 27 VAL HB 1 28 ARG H 3.500 . 4.500 3.723 3.666 3.814 . 0 0 "[ . 1 . 2]" 1
212 1 27 VAL H 1 27 VAL QG 2.900 . 4.600 2.995 2.213 3.113 . 0 0 "[ . 1 . 2]" 1
213 1 27 VAL QG 1 28 ARG H 3.500 . 5.900 1.965 1.908 2.026 . 0 0 "[ . 1 . 2]" 1
214 1 27 VAL QG 1 29 GLY H 5.000 . 7.400 4.616 4.294 4.739 . 0 0 "[ . 1 . 2]" 1
215 1 27 VAL QG 1 35 HIS H 5.000 . 7.400 4.126 3.855 5.252 . 0 0 "[ . 1 . 2]" 1
216 1 27 VAL QG 1 38 LYS H 5.000 . 7.400 6.517 6.001 6.806 . 0 0 "[ . 1 . 2]" 1
217 1 28 ARG HA 1 29 GLY H 2.900 . 2.900 2.121 2.102 2.160 . 0 0 "[ . 1 . 2]" 1
218 1 28 ARG H 1 28 ARG QB 2.900 . 3.500 2.284 2.143 2.610 . 0 0 "[ . 1 . 2]" 1
219 1 28 ARG QB 1 29 GLY H 5.000 . 6.000 3.161 2.980 3.504 . 0 0 "[ . 1 . 2]" 1
220 1 28 ARG QD 1 29 GLY H 5.000 . 6.000 3.795 2.083 4.973 . 0 0 "[ . 1 . 2]" 1
221 1 28 ARG QD 1 34 MET H 5.000 . 6.000 5.597 4.831 6.018 0.018 1 0 "[ . 1 . 2]" 1
222 1 28 ARG QG 1 35 HIS H 5.000 . 6.000 5.683 5.405 6.057 0.057 1 0 "[ . 1 . 2]" 1
223 1 29 GLY H 1 31 ASP H 5.000 . 5.000 4.793 4.678 5.041 0.041 20 0 "[ . 1 . 2]" 1
224 1 27 VAL H 1 29 GLY QA 5.000 . 6.000 6.001 5.938 6.152 0.152 20 0 "[ . 1 . 2]" 1
225 1 29 GLY QA 1 31 ASP H 3.500 . 4.100 3.727 3.536 3.942 . 0 0 "[ . 1 . 2]" 1
226 1 29 GLY QA 1 33 ARG H 5.000 . 5.000 4.549 1.872 5.033 0.033 18 0 "[ . 1 . 2]" 1
227 1 28 ARG H 1 29 GLY H 5.000 . 5.000 4.515 4.494 4.541 . 0 0 "[ . 1 . 2]" 1
228 1 29 GLY H 1 34 MET H 5.000 . 5.000 5.084 5.008 5.105 0.105 3 0 "[ . 1 . 2]" 1
229 1 29 GLY H 1 30 PRO HA 5.000 . 5.000 5.164 5.108 5.203 0.203 3 0 "[ . 1 . 2]" 1
230 1 30 PRO HA 1 31 ASP H 3.500 . 3.500 3.594 3.581 3.603 0.103 14 0 "[ . 1 . 2]" 1
231 1 30 PRO QB 1 31 ASP H 5.000 . 6.000 2.253 2.010 2.740 . 0 0 "[ . 1 . 2]" 1
232 1 30 PRO QG 1 31 ASP H 3.500 . 4.500 3.719 2.876 3.895 . 0 0 "[ . 1 . 2]" 1
233 1 30 PRO QG 1 32 GLY H 5.000 . 6.000 5.194 4.746 5.322 . 0 0 "[ . 1 . 2]" 1
234 1 31 ASP H 1 31 ASP HA 2.900 . 2.900 2.884 2.875 2.911 0.011 20 0 "[ . 1 . 2]" 1
235 1 31 ASP HA 1 32 GLY H 3.500 . 3.500 3.352 3.327 3.367 . 0 0 "[ . 1 . 2]" 1
236 1 31 ASP HA 1 33 ARG H 5.000 . 6.000 4.595 4.390 5.616 . 0 0 "[ . 1 . 2]" 1
237 1 31 ASP H 1 31 ASP QB 2.900 . 3.500 2.206 2.093 2.699 . 0 0 "[ . 1 . 2]" 1
238 1 31 ASP QB 1 32 GLY H 5.000 . 6.000 3.293 3.213 3.747 . 0 0 "[ . 1 . 2]" 1
239 1 31 ASP QB 1 33 ARG H 5.000 . 6.000 3.027 2.658 4.714 . 0 0 "[ . 1 . 2]" 1
240 1 31 ASP H 1 32 GLY H 2.900 . 2.900 2.460 2.235 2.507 . 0 0 "[ . 1 . 2]" 1
241 1 32 GLY QA 1 33 ARG H 5.000 . 6.000 2.719 2.463 2.911 . 0 0 "[ . 1 . 2]" 1
242 1 33 ARG HA 1 34 MET H 2.900 . 2.900 2.704 2.526 3.393 0.493 20 0 "[ . 1 . 2]" 1
243 1 32 GLY H 1 33 ARG QB 5.000 . 6.000 5.013 4.227 5.232 . 0 0 "[ . 1 . 2]" 1
244 1 33 ARG H 1 33 ARG QB 2.900 . 3.500 3.025 2.443 3.147 . 0 0 "[ . 1 . 2]" 1
245 1 33 ARG QB 1 34 MET H 5.000 . 6.000 3.678 1.780 4.046 0.020 2 0 "[ . 1 . 2]" 1
246 1 33 ARG H 1 33 ARG QD 5.000 . 6.000 4.354 4.211 4.667 . 0 0 "[ . 1 . 2]" 1
247 1 31 ASP H 1 33 ARG QG 5.000 . 6.000 4.720 4.393 5.467 . 0 0 "[ . 1 . 2]" 1
248 1 32 GLY H 1 33 ARG QG 5.000 . 6.000 4.375 4.248 4.822 . 0 0 "[ . 1 . 2]" 1
249 1 33 ARG H 1 33 ARG QG 2.900 . 3.900 2.489 2.329 3.193 . 0 0 "[ . 1 . 2]" 1
250 1 33 ARG QG 1 34 MET H 2.900 . 3.900 3.966 3.865 4.037 0.137 14 0 "[ . 1 . 2]" 1
251 1 29 GLY H 1 33 ARG H 5.000 . 5.000 4.146 2.308 4.443 . 0 0 "[ . 1 . 2]" 1
252 1 31 ASP H 1 33 ARG H 5.000 . 5.000 4.208 3.102 4.484 . 0 0 "[ . 1 . 2]" 1
253 1 32 GLY H 1 33 ARG H 2.900 . 2.900 2.828 1.854 3.005 0.105 14 0 "[ . 1 . 2]" 1
254 1 33 ARG H 1 34 MET H 5.000 . 5.000 3.108 2.633 4.186 . 0 0 "[ . 1 . 2]" 1
255 1 27 VAL H 1 34 MET HA 5.000 . 6.000 2.549 2.006 4.789 . 0 0 "[ . 1 . 2]" 1
256 1 34 MET H 1 34 MET QB 2.900 . 3.500 3.136 2.362 3.448 . 0 0 "[ . 1 . 2]" 1
257 1 34 MET QB 1 35 HIS H 3.500 . 4.500 3.880 3.470 3.959 . 0 0 "[ . 1 . 2]" 1
258 1 34 MET QB 1 40 ALA H 5.000 . 6.000 4.253 3.268 6.009 0.009 2 0 "[ . 1 . 2]" 1
259 1 25 ASP H 1 34 MET QG 3.500 . 4.500 3.915 2.456 4.520 0.020 5 0 "[ . 1 . 2]" 1
260 1 27 VAL H 1 34 MET QG 5.000 . 6.000 3.933 3.592 4.789 . 0 0 "[ . 1 . 2]" 1
261 1 34 MET H 1 34 MET QG 3.500 . 4.500 3.710 3.266 4.322 . 0 0 "[ . 1 . 2]" 1
262 1 34 MET QG 1 35 HIS H 5.000 . 6.000 4.485 4.358 4.917 . 0 0 "[ . 1 . 2]" 1
263 1 34 MET H 1 35 HIS H 5.000 . 5.000 2.346 1.989 2.460 . 0 0 "[ . 1 . 2]" 1
264 1 34 MET H 1 35 HIS HA 5.000 . 5.000 4.623 4.212 4.803 . 0 0 "[ . 1 . 2]" 1
265 1 35 HIS H 1 35 HIS HA 2.900 . 2.900 2.781 2.598 2.842 . 0 0 "[ . 1 . 2]" 1
266 1 35 HIS HA 1 36 GLY H 5.000 . 5.000 3.416 3.302 3.562 . 0 0 "[ . 1 . 2]" 1
267 1 35 HIS QB 1 36 GLY H 5.000 . 6.000 3.106 1.944 3.480 . 0 0 "[ . 1 . 2]" 1
268 1 35 HIS QB 1 37 ASN H 5.000 . 6.000 4.543 3.776 4.803 . 0 0 "[ . 1 . 2]" 1
269 1 27 VAL H 1 35 HIS QB 5.000 . 6.000 3.602 3.264 5.353 . 0 0 "[ . 1 . 2]" 1
270 1 29 GLY H 1 35 HIS QB 5.000 . 6.000 3.102 2.722 5.279 . 0 0 "[ . 1 . 2]" 1
271 1 27 VAL H 1 35 HIS HD1 3.500 . 4.500 4.543 3.963 4.679 0.179 3 0 "[ . 1 . 2]" 1
272 1 29 GLY H 1 35 HIS HD1 3.500 . 4.500 4.417 4.194 4.502 0.002 20 0 "[ . 1 . 2]" 1
273 1 33 ARG H 1 35 HIS HD1 5.000 . 6.000 5.909 4.901 6.062 0.062 19 0 "[ . 1 . 2]" 1
274 1 35 HIS H 1 35 HIS HD1 5.000 . 5.000 4.124 2.673 4.329 . 0 0 "[ . 1 . 2]" 1
275 1 27 VAL H 1 35 HIS H 3.500 . 3.500 2.506 2.141 3.527 0.027 1 0 "[ . 1 . 2]" 1
276 1 36 GLY QA 1 37 ASN H 2.900 . 3.900 2.859 2.828 2.877 . 0 0 "[ . 1 . 2]" 1
277 1 36 GLY H 1 37 ASN H 5.000 . 5.000 2.300 2.173 2.354 . 0 0 "[ . 1 . 2]" 1
278 1 37 ASN HA 1 38 LYS H 5.000 . 5.000 2.188 2.119 2.480 . 0 0 "[ . 1 . 2]" 1
279 1 37 ASN H 1 37 ASN QB 3.500 . 4.500 2.444 2.264 3.131 . 0 0 "[ . 1 . 2]" 1
280 1 37 ASN H 1 38 LYS QB 5.000 . 6.000 5.988 5.623 6.104 0.104 9 0 "[ . 1 . 2]" 1
281 1 38 LYS H 1 38 LYS QB 2.900 . 3.900 2.344 2.087 2.714 . 0 0 "[ . 1 . 2]" 1
282 1 38 LYS QB 1 41 LEU H 5.000 . 6.000 5.280 4.456 5.497 . 0 0 "[ . 1 . 2]" 1
283 1 38 LYS H 1 38 LYS QE 3.500 . 4.500 2.795 1.792 4.466 0.008 13 0 "[ . 1 . 2]" 1
284 1 38 LYS QE 1 41 LEU H 5.000 . 6.000 5.171 4.553 6.037 0.037 2 0 "[ . 1 . 2]" 1
285 1 38 LYS H 1 39 CYS H 3.500 . 3.500 2.761 2.676 2.848 . 0 0 "[ . 1 . 2]" 1
286 1 38 LYS H 1 40 ALA H 5.000 . 5.000 4.738 4.355 4.974 . 0 0 "[ . 1 . 2]" 1
287 1 39 CYS H 1 39 CYS QB 2.900 . 3.900 2.318 2.199 2.614 . 0 0 "[ . 1 . 2]" 1
288 1 39 CYS QB 1 40 ALA H 3.500 . 3.900 3.284 2.556 3.440 . 0 0 "[ . 1 . 2]" 1
289 1 37 ASN H 1 39 CYS H 5.000 . 5.000 5.081 4.839 5.186 0.186 3 0 "[ . 1 . 2]" 1
290 1 39 CYS H 1 40 ALA H 2.900 . 2.900 2.806 2.709 2.937 0.037 16 0 "[ . 1 . 2]" 1
291 1 40 ALA H 1 40 ALA HA 2.900 . 2.900 2.816 2.797 2.835 . 0 0 "[ . 1 . 2]" 1
292 1 40 ALA HA 1 41 LEU H 3.500 . 3.500 3.529 3.507 3.541 0.041 12 0 "[ . 1 . 2]" 1
293 1 40 ALA HA 1 42 CYS H 5.000 . 5.000 4.626 4.560 4.802 . 0 0 "[ . 1 . 2]" 1
294 1 40 ALA HA 1 43 ALA H 3.500 . 3.500 3.539 3.511 3.583 0.083 7 0 "[ . 1 . 2]" 1
295 1 40 ALA HA 1 44 GLU H 5.000 . 5.000 4.236 3.685 4.392 . 0 0 "[ . 1 . 2]" 1
296 1 37 ASN H 1 40 ALA MB 5.000 . 6.100 3.671 2.891 3.880 . 0 0 "[ . 1 . 2]" 1
297 1 40 ALA H 1 40 ALA MB 2.900 . 4.000 2.079 2.025 2.232 . 0 0 "[ . 1 . 2]" 1
298 1 40 ALA MB 1 41 LEU H 2.900 . 4.000 2.605 2.469 2.777 . 0 0 "[ . 1 . 2]" 1
299 1 40 ALA MB 1 42 CYS H 5.000 . 6.100 4.539 4.478 4.687 . 0 0 "[ . 1 . 2]" 1
300 1 40 ALA MB 1 43 ALA H 5.000 . 6.100 4.560 4.512 4.686 . 0 0 "[ . 1 . 2]" 1
301 1 40 ALA H 1 41 LEU H 2.900 . 2.900 2.649 2.564 2.700 . 0 0 "[ . 1 . 2]" 1
302 1 40 ALA H 1 41 LEU HA 5.000 . 5.000 5.194 5.142 5.217 0.217 12 0 "[ . 1 . 2]" 1
303 1 41 LEU H 1 41 LEU HA 2.900 . 2.900 2.809 2.800 2.824 . 0 0 "[ . 1 . 2]" 1
304 1 41 LEU HA 1 42 CYS H 5.000 . 5.000 3.529 3.514 3.579 . 0 0 "[ . 1 . 2]" 1
305 1 27 VAL H 1 41 LEU QB 5.000 . 6.000 5.928 5.667 6.157 0.157 16 0 "[ . 1 . 2]" 1
306 1 41 LEU H 1 41 LEU QB 2.900 . 3.900 2.119 2.076 2.350 . 0 0 "[ . 1 . 2]" 1
307 1 41 LEU QB 1 44 GLU H 5.000 . 6.000 4.864 4.756 5.003 . 0 0 "[ . 1 . 2]" 1
308 1 27 VAL H 1 41 LEU QD 5.000 . 6.700 6.207 5.354 6.775 0.075 9 0 "[ . 1 . 2]" 1
309 1 41 LEU H 1 41 LEU QD 3.500 . 5.200 3.446 2.424 3.762 . 0 0 "[ . 1 . 2]" 1
310 1 41 LEU QD 1 42 CYS H 5.000 . 6.700 3.041 1.865 3.608 . 0 0 "[ . 1 . 2]" 1
311 1 41 LEU QD 1 43 ALA H 5.000 . 6.700 4.539 3.881 5.084 . 0 0 "[ . 1 . 2]" 1
312 1 41 LEU QD 1 44 GLU H 5.000 . 6.700 4.253 3.810 4.735 . 0 0 "[ . 1 . 2]" 1
313 1 39 CYS H 1 41 LEU H 5.000 . 5.000 4.324 4.149 4.433 . 0 0 "[ . 1 . 2]" 1
314 1 41 LEU H 1 42 CYS H 2.900 . 2.900 2.563 2.538 2.658 . 0 0 "[ . 1 . 2]" 1
315 1 41 LEU H 1 43 ALA H 5.000 . 5.000 3.811 3.733 3.940 . 0 0 "[ . 1 . 2]" 1
316 1 42 CYS HA 1 43 ALA H 5.000 . 5.000 3.511 3.493 3.554 . 0 0 "[ . 1 . 2]" 1
317 1 42 CYS HA 1 45 ILE H 3.500 . 3.500 3.184 3.070 3.335 . 0 0 "[ . 1 . 2]" 1
318 1 42 CYS H 1 42 CYS QB 2.900 . 3.900 2.273 2.209 2.297 . 0 0 "[ . 1 . 2]" 1
319 1 42 CYS QB 1 43 ALA H 5.000 . 6.000 2.702 2.497 2.845 . 0 0 "[ . 1 . 2]" 1
320 1 42 CYS QB 1 46 PHE H 5.000 . 6.000 5.184 4.785 5.365 . 0 0 "[ . 1 . 2]" 1
321 1 43 ALA HA 1 44 GLU H 3.500 . 3.500 3.508 3.485 3.522 0.022 5 0 "[ . 1 . 2]" 1
322 1 43 ALA HA 1 46 PHE H 3.500 . 3.500 3.393 3.091 3.582 0.082 17 0 "[ . 1 . 2]" 1
323 1 43 ALA HA 1 47 LYS H 5.000 . 5.000 3.929 3.721 4.178 . 0 0 "[ . 1 . 2]" 1
324 1 20 CYS H 1 43 ALA MB 5.000 . 6.100 6.037 5.733 6.152 0.052 3 0 "[ . 1 . 2]" 1
325 1 42 CYS H 1 43 ALA MB 5.000 . 6.100 4.172 4.117 4.256 . 0 0 "[ . 1 . 2]" 1
326 1 43 ALA H 1 43 ALA MB 2.900 . 4.000 2.197 2.100 2.234 . 0 0 "[ . 1 . 2]" 1
327 1 43 ALA MB 1 44 GLU H 2.900 . 3.500 2.735 2.690 2.796 . 0 0 "[ . 1 . 2]" 1
328 1 40 ALA H 1 43 ALA H 5.000 . 5.000 4.382 4.268 4.525 . 0 0 "[ . 1 . 2]" 1
329 1 42 CYS H 1 43 ALA H 3.500 . 3.500 2.513 2.456 2.627 . 0 0 "[ . 1 . 2]" 1
330 1 43 ALA H 1 44 GLU H 3.500 . 3.500 2.619 2.506 2.677 . 0 0 "[ . 1 . 2]" 1
331 1 43 ALA H 1 45 ILE H 5.000 . 5.000 4.072 4.011 4.261 . 0 0 "[ . 1 . 2]" 1
332 1 31 ASP H 1 44 GLU HA 5.000 . 5.000 5.111 5.055 5.136 0.136 8 0 "[ . 1 . 2]" 1
333 1 44 GLU H 1 44 GLU HA 2.900 . 2.900 2.826 2.799 2.847 . 0 0 "[ . 1 . 2]" 1
334 1 44 GLU HA 1 45 ILE H 5.000 . 5.000 3.505 3.488 3.539 . 0 0 "[ . 1 . 2]" 1
335 1 44 GLU HA 1 47 LYS H 3.500 . 3.500 3.513 3.450 3.578 0.078 20 0 "[ . 1 . 2]" 1
336 1 41 LEU H 1 44 GLU QB 5.000 . 6.000 4.869 4.282 5.155 . 0 0 "[ . 1 . 2]" 1
337 1 44 GLU H 1 44 GLU QB 2.900 . 3.500 2.211 2.176 2.229 . 0 0 "[ . 1 . 2]" 1
338 1 44 GLU QB 1 45 ILE H 3.500 . 4.500 2.645 2.431 3.394 . 0 0 "[ . 1 . 2]" 1
339 1 44 GLU QB 1 46 PHE H 5.000 . 6.000 4.834 4.612 5.188 . 0 0 "[ . 1 . 2]" 1
340 1 44 GLU QB 1 47 LYS H 5.000 . 6.000 5.017 4.939 5.055 . 0 0 "[ . 1 . 2]" 1
341 1 44 GLU QB 1 48 ARG H 5.000 . 6.000 5.091 4.883 5.287 . 0 0 "[ . 1 . 2]" 1
342 1 44 GLU H 1 44 GLU QG 2.900 . 3.900 3.893 2.897 4.031 0.131 18 0 "[ . 1 . 2]" 1
343 1 44 GLU QG 1 45 ILE H 5.000 . 6.000 4.103 2.022 4.547 . 0 0 "[ . 1 . 2]" 1
344 1 44 GLU QG 1 47 LYS H 5.000 . 6.000 5.339 4.914 5.577 . 0 0 "[ . 1 . 2]" 1
345 1 42 CYS H 1 44 GLU H 5.000 . 5.000 3.962 3.756 4.103 . 0 0 "[ . 1 . 2]" 1
346 1 44 GLU H 1 45 ILE H 2.900 . 2.900 2.506 2.459 2.554 . 0 0 "[ . 1 . 2]" 1
347 1 44 GLU H 1 47 LYS H 5.000 . 5.000 4.644 4.467 4.803 . 0 0 "[ . 1 . 2]" 1
348 1 44 GLU H 1 45 ILE HA 5.000 . 5.000 5.116 5.077 5.165 0.165 1 0 "[ . 1 . 2]" 1
349 1 45 ILE HA 1 46 PHE H 5.000 . 5.000 3.540 3.511 3.576 . 0 0 "[ . 1 . 2]" 1
350 1 45 ILE HA 1 47 LYS H 5.000 . 5.000 4.511 4.422 4.639 . 0 0 "[ . 1 . 2]" 1
351 1 45 ILE HA 1 48 ARG H 5.000 . 5.000 3.736 3.572 3.873 . 0 0 "[ . 1 . 2]" 1
352 1 42 CYS H 1 45 ILE HB 5.000 . 6.000 5.623 5.337 5.796 . 0 0 "[ . 1 . 2]" 1
353 1 43 ALA H 1 45 ILE HB 5.000 . 6.000 5.408 5.125 6.015 0.015 20 0 "[ . 1 . 2]" 1
354 1 45 ILE H 1 45 ILE HB 2.900 . 3.900 2.550 2.411 2.631 . 0 0 "[ . 1 . 2]" 1
355 1 45 ILE HB 1 46 PHE H 2.900 . 3.900 2.793 2.428 3.909 0.009 20 0 "[ . 1 . 2]" 1
356 1 45 ILE HB 1 47 LYS H 5.000 . 6.000 5.131 4.806 5.801 . 0 0 "[ . 1 . 2]" 1
357 1 42 CYS H 1 45 ILE MD 5.000 . 7.400 5.747 4.282 7.185 . 0 0 "[ . 1 . 2]" 1
358 1 43 ALA H 1 45 ILE MD 5.000 . 7.400 6.197 5.124 7.315 . 0 0 "[ . 1 . 2]" 1
359 1 45 ILE H 1 45 ILE MD 3.500 . 5.000 3.479 2.963 4.423 . 0 0 "[ . 1 . 2]" 1
360 1 45 ILE MD 1 46 PHE H 3.500 . 5.000 4.583 3.461 4.839 . 0 0 "[ . 1 . 2]" 1
361 1 45 ILE MD 1 47 LYS H 5.000 . 6.500 5.983 5.037 6.537 0.037 2 0 "[ . 1 . 2]" 1
362 1 42 CYS H 1 45 ILE QG 5.000 . 6.000 4.340 4.055 4.679 . 0 0 "[ . 1 . 2]" 1
363 1 44 GLU H 1 45 ILE QG 5.000 . 6.000 3.854 3.703 4.120 . 0 0 "[ . 1 . 2]" 1
364 1 45 ILE H 1 45 ILE QG 2.900 . 3.900 2.109 1.964 2.410 . 0 0 "[ . 1 . 2]" 1
365 1 46 PHE H 1 46 PHE HA 2.900 . 2.900 2.823 2.790 2.848 . 0 0 "[ . 1 . 2]" 1
366 1 46 PHE HA 1 47 LYS H 5.000 . 5.000 3.549 3.530 3.574 . 0 0 "[ . 1 . 2]" 1
367 1 18 LEU H 1 46 PHE QB 5.000 . 6.000 5.390 4.941 6.032 0.032 20 0 "[ . 1 . 2]" 1
368 1 43 ALA H 1 46 PHE QB 5.000 . 6.000 5.125 4.585 5.674 . 0 0 "[ . 1 . 2]" 1
369 1 44 GLU H 1 46 PHE QB 5.000 . 6.000 5.172 4.714 5.847 . 0 0 "[ . 1 . 2]" 1
370 1 45 ILE H 1 46 PHE QB 5.000 . 6.000 4.486 4.329 4.769 . 0 0 "[ . 1 . 2]" 1
371 1 46 PHE H 1 46 PHE QB 2.900 . 3.900 2.187 2.117 2.281 . 0 0 "[ . 1 . 2]" 1
372 1 46 PHE QB 1 47 LYS H 5.000 . 6.000 2.898 2.604 3.492 . 0 0 "[ . 1 . 2]" 1
373 1 43 ALA H 1 46 PHE QD 5.000 . 6.000 4.545 4.136 5.117 . 0 0 "[ . 1 . 2]" 1
374 1 44 GLU H 1 46 PHE QD 5.000 . 6.000 5.242 4.842 5.659 . 0 0 "[ . 1 . 2]" 1
375 1 46 PHE H 1 46 PHE QD 5.000 . 7.000 2.799 2.490 3.074 . 0 0 "[ . 1 . 2]" 1
376 1 46 PHE QD 1 47 LYS H 5.000 . 7.000 4.145 3.257 4.595 . 0 0 "[ . 1 . 2]" 1
377 1 46 PHE QD 1 49 ARG H 5.000 . 7.000 5.706 5.427 5.940 . 0 0 "[ . 1 . 2]" 1
378 1 46 PHE H 1 46 PHE QE 2.900 . 4.900 4.865 4.693 4.941 0.041 20 0 "[ . 1 . 2]" 1
379 1 46 PHE H 1 47 LYS H 3.500 . 3.500 2.610 2.522 2.757 . 0 0 "[ . 1 . 2]" 1
380 1 46 PHE H 1 48 ARG H 5.000 . 5.000 4.284 4.217 4.393 . 0 0 "[ . 1 . 2]" 1
381 1 46 PHE H 1 50 PHE H 5.000 . 5.000 5.110 5.071 5.191 0.191 19 0 "[ . 1 . 2]" 1
382 1 47 LYS H 1 47 LYS HA 2.900 . 2.900 2.802 2.790 2.814 . 0 0 "[ . 1 . 2]" 1
383 1 47 LYS HA 1 50 PHE H 5.000 . 5.000 4.213 4.001 4.262 . 0 0 "[ . 1 . 2]" 1
384 1 47 LYS H 1 47 LYS QD 5.000 . 6.000 4.076 2.234 4.765 . 0 0 "[ . 1 . 2]" 1
385 1 44 GLU H 1 47 LYS QE 5.000 . 6.000 4.377 3.490 5.536 . 0 0 "[ . 1 . 2]" 1
386 1 45 ILE H 1 47 LYS QE 5.000 . 6.000 5.491 4.778 6.002 0.002 12 0 "[ . 1 . 2]" 1
387 1 46 PHE H 1 47 LYS QE 5.000 . 6.000 5.402 4.713 6.002 0.002 19 0 "[ . 1 . 2]" 1
388 1 47 LYS H 1 47 LYS QE 5.000 . 6.000 3.708 2.678 4.204 . 0 0 "[ . 1 . 2]" 1
389 1 47 LYS QG 1 48 ARG H 5.000 . 6.000 4.178 3.946 4.398 . 0 0 "[ . 1 . 2]" 1
390 1 48 ARG H 1 48 ARG HA 2.900 . 2.900 2.846 2.844 2.851 . 0 0 "[ . 1 . 2]" 1
391 1 48 ARG H 1 49 ARG H 2.900 . 2.900 2.640 2.546 2.674 . 0 0 "[ . 1 . 2]" 1
392 1 48 ARG H 1 51 SER H 5.000 . 5.000 4.583 4.506 4.600 . 0 0 "[ . 1 . 2]" 1
393 1 49 ARG HA 1 50 PHE H 3.500 . 3.500 3.536 3.521 3.543 0.043 2 0 "[ . 1 . 2]" 1
394 1 49 ARG HA 1 53 GLU H 5.000 . 5.000 3.463 3.431 3.541 . 0 0 "[ . 1 . 2]" 1
395 1 46 PHE H 1 49 ARG QB 5.000 . 6.000 4.369 4.183 4.532 . 0 0 "[ . 1 . 2]" 1
396 1 49 ARG H 1 49 ARG QB 2.900 . 3.900 2.232 2.036 2.413 . 0 0 "[ . 1 . 2]" 1
397 1 49 ARG QB 1 50 PHE H . . 3.900 2.321 2.262 2.431 . 0 0 "[ . 1 . 2]" 1
398 1 49 ARG QB 1 51 SER H 5.000 . 6.000 4.598 4.512 4.632 . 0 0 "[ . 1 . 2]" 1
399 1 49 ARG QB 1 52 GLU H 5.000 . 6.000 5.073 5.014 5.112 . 0 0 "[ . 1 . 2]" 1
400 1 49 ARG QB 1 53 GLU H 5.000 . 6.000 4.743 4.409 4.885 . 0 0 "[ . 1 . 2]" 1
401 1 49 ARG H 1 49 ARG QD 5.000 . 6.000 4.173 3.814 4.640 . 0 0 "[ . 1 . 2]" 1
402 1 49 ARG QD 1 50 PHE H 5.000 . 6.000 4.340 3.093 5.191 . 0 0 "[ . 1 . 2]" 1
403 1 46 PHE H 1 49 ARG QG 5.000 . 6.000 5.736 4.524 6.062 0.062 7 0 "[ . 1 . 2]" 1
404 1 49 ARG QG 1 50 PHE H 5.000 . 6.000 3.910 3.643 4.298 . 0 0 "[ . 1 . 2]" 1
405 1 50 PHE H 1 50 PHE HA 2.900 . 2.900 2.816 2.812 2.823 . 0 0 "[ . 1 . 2]" 1
406 1 50 PHE HA 1 51 SER H 3.500 . 3.500 3.542 3.534 3.548 0.048 15 0 "[ . 1 . 2]" 1
407 1 50 PHE HA 1 52 GLU H 5.000 . 5.000 4.563 4.523 4.588 . 0 0 "[ . 1 . 2]" 1
408 1 50 PHE HA 1 53 GLU H 5.000 . 5.000 3.628 3.575 3.667 . 0 0 "[ . 1 . 2]" 1
409 1 49 ARG H 1 50 PHE QB 5.000 . 6.000 4.430 4.346 4.454 . 0 0 "[ . 1 . 2]" 1
410 1 50 PHE H 1 50 PHE QB 2.900 . 3.900 2.113 2.100 2.204 . 0 0 "[ . 1 . 2]" 1
411 1 50 PHE QB 1 51 SER H 3.500 . 4.500 2.661 2.620 2.738 . 0 0 "[ . 1 . 2]" 1
412 1 49 ARG H 1 50 PHE QD 5.000 . 6.000 6.043 6.026 6.093 0.093 19 0 "[ . 1 . 2]" 1
413 1 50 PHE H 1 50 PHE QD 5.000 . 7.000 3.775 3.727 4.080 . 0 0 "[ . 1 . 2]" 1
414 1 50 PHE QD 1 51 SER H 5.000 . 7.000 4.339 2.958 4.488 . 0 0 "[ . 1 . 2]" 1
415 1 51 SER H 1 51 SER HA 2.900 . 2.900 2.842 2.835 2.846 . 0 0 "[ . 1 . 2]" 1
416 1 51 SER HA 1 52 GLU H 3.500 . 3.500 3.533 3.519 3.538 0.038 15 0 "[ . 1 . 2]" 1
417 1 51 SER HA 1 53 GLU H 5.000 . 5.000 4.748 4.709 4.799 . 0 0 "[ . 1 . 2]" 1
418 1 51 SER QB 1 52 GLU H 5.000 . 5.000 2.670 2.481 3.346 . 0 0 "[ . 1 . 2]" 1
419 1 51 SER QB 1 55 SER H 5.000 . 5.000 4.894 4.755 5.029 0.029 9 0 "[ . 1 . 2]" 1
420 1 50 PHE H 1 51 SER H 2.900 . 2.900 2.653 2.605 2.682 . 0 0 "[ . 1 . 2]" 1
421 1 51 SER H 1 52 GLU H 2.900 . 2.900 2.586 2.538 2.608 . 0 0 "[ . 1 . 2]" 1
422 1 52 GLU H 1 52 GLU HA 2.900 . 2.900 2.845 2.839 2.848 . 0 0 "[ . 1 . 2]" 1
423 1 51 SER H 1 52 GLU QB 5.000 . 6.000 4.539 4.263 4.698 . 0 0 "[ . 1 . 2]" 1
424 1 52 GLU H 1 52 GLU QB 2.900 . 3.900 2.344 2.214 2.395 . 0 0 "[ . 1 . 2]" 1
425 1 52 GLU QB 1 55 SER H 5.000 . 6.000 4.836 4.700 5.016 . 0 0 "[ . 1 . 2]" 1
426 1 49 ARG H 1 52 GLU QG 5.000 . 6.000 4.808 4.127 6.010 0.010 5 0 "[ . 1 . 2]" 1
427 1 52 GLU H 1 52 GLU QG . . 4.500 2.561 2.361 3.945 . 0 0 "[ . 1 . 2]" 1
428 1 51 SER H 1 52 GLU QG 5.000 . 6.000 4.544 4.109 6.060 0.060 5 0 "[ . 1 . 2]" 1
429 1 52 GLU QG 1 54 ASN H 5.000 . 6.000 5.557 4.170 5.971 . 0 0 "[ . 1 . 2]" 1
430 1 53 GLU H 1 53 GLU HA 2.900 . 2.900 2.844 2.841 2.849 . 0 0 "[ . 1 . 2]" 1
431 1 53 GLU HA 1 58 ASP H 5.000 . 5.000 5.030 5.012 5.068 0.068 17 0 "[ . 1 . 2]" 1
432 1 52 GLU H 1 53 GLU QB 5.000 . 6.000 4.458 4.388 4.643 . 0 0 "[ . 1 . 2]" 1
433 1 53 GLU H 1 53 GLU QB 2.900 . 3.900 2.285 2.237 2.425 . 0 0 "[ . 1 . 2]" 1
434 1 53 GLU QB 1 54 ASN H 3.500 . 4.500 2.496 2.477 2.530 . 0 0 "[ . 1 . 2]" 1
435 1 53 GLU H 1 53 GLU QG 3.500 . 4.500 3.585 2.275 4.028 . 0 0 "[ . 1 . 2]" 1
436 1 53 GLU QG 1 54 ASN H 5.000 . 6.000 3.951 3.681 4.311 . 0 0 "[ . 1 . 2]" 1
437 1 54 ASN HA 1 55 SER H 5.000 . 5.000 3.457 3.446 3.509 . 0 0 "[ . 1 . 2]" 1
438 1 51 SER H 1 54 ASN QB 5.000 . 6.000 4.523 4.472 4.683 . 0 0 "[ . 1 . 2]" 1
439 1 52 GLU H 1 54 ASN QB 5.000 . 6.000 5.048 4.961 5.180 . 0 0 "[ . 1 . 2]" 1
440 1 54 ASN H 1 54 ASN QB 2.900 . 3.900 2.299 2.262 2.479 . 0 0 "[ . 1 . 2]" 1
441 1 54 ASN QB 1 55 SER H 5.000 . 6.000 2.943 2.734 2.977 . 0 0 "[ . 1 . 2]" 1
442 1 54 ASN H 1 54 ASN QD 5.000 . 5.000 4.321 1.902 4.671 . 0 0 "[ . 1 . 2]" 1
443 1 50 PHE H 1 54 ASN H 5.000 . 5.000 5.167 5.122 5.199 0.199 10 0 "[ . 1 . 2]" 1
444 1 55 SER H 1 55 SER HA 2.900 . 2.900 2.911 2.890 2.939 0.039 20 0 "[ . 1 . 2]" 1
445 1 55 SER HA 1 56 LYS H 2.900 . 2.900 2.175 2.139 2.254 . 0 0 "[ . 1 . 2]" 1
446 1 51 SER H 1 55 SER QB 5.000 . 6.000 5.846 5.300 6.016 0.016 15 0 "[ . 1 . 2]" 1
447 1 54 ASN H 1 55 SER QB 3.500 . 4.500 4.520 4.461 4.549 0.049 4 0 "[ . 1 . 2]" 1
448 1 55 SER H 1 55 SER QB 2.900 . 3.900 2.658 2.403 2.719 . 0 0 "[ . 1 . 2]" 1
449 1 55 SER QB 1 56 LYS H 5.000 . 6.000 3.369 3.038 3.754 . 0 0 "[ . 1 . 2]" 1
450 1 56 LYS H 1 56 LYS QB 3.500 . 4.500 3.419 3.072 3.497 . 0 0 "[ . 1 . 2]" 1
451 1 56 LYS QB 1 57 THR H 5.000 . 6.000 3.667 3.387 3.977 . 0 0 "[ . 1 . 2]" 1
452 1 56 LYS QG 1 57 THR H 5.000 . 6.000 4.210 3.368 4.539 . 0 0 "[ . 1 . 2]" 1
453 1 51 SER H 1 56 LYS QE 5.000 . 6.000 5.818 5.385 6.025 0.025 20 0 "[ . 1 . 2]" 1
454 1 57 THR H 1 57 THR HA 2.900 . 2.900 2.864 2.794 2.911 0.011 20 0 "[ . 1 . 2]" 1
455 1 57 THR HA 1 58 ASP H 2.900 . 2.900 2.889 2.162 3.337 0.437 20 0 "[ . 1 . 2]" 1
456 1 55 SER H 1 57 THR HB 5.000 . 5.000 4.667 4.057 5.006 0.006 18 0 "[ . 1 . 2]" 1
457 1 58 ASP HA 1 59 GLN H 3.500 . 3.500 3.364 2.597 3.525 0.025 2 0 "[ . 1 . 2]" 1
458 1 58 ASP H 1 58 ASP QB 3.500 . 4.500 2.944 2.171 3.179 . 0 0 "[ . 1 . 2]" 1
459 1 58 ASP QB 1 59 GLN H 5.000 . 6.000 2.952 2.559 3.915 . 0 0 "[ . 1 . 2]" 1
460 1 56 LYS H 1 59 GLN HA 5.000 . 5.000 4.982 4.732 5.083 0.083 20 0 "[ . 1 . 2]" 1
461 1 59 GLN HA 1 60 ASN H 2.900 . 2.900 2.470 2.215 2.954 0.054 19 0 "[ . 1 . 2]" 1
462 1 59 GLN H 1 59 GLN QB 3.500 . 4.500 2.872 2.472 3.411 . 0 0 "[ . 1 . 2]" 1
463 1 59 GLN QB 1 60 ASN H 5.000 . 6.000 3.828 2.780 4.029 . 0 0 "[ . 1 . 2]" 1
464 1 59 GLN QB 1 61 LEU H 5.000 . 6.000 4.470 3.259 5.963 . 0 0 "[ . 1 . 2]" 1
465 1 59 GLN QG 1 60 ASN H 5.000 . 6.000 4.208 3.469 4.653 . 0 0 "[ . 1 . 2]" 1
466 1 57 THR H 1 59 GLN H 3.500 . 3.500 2.964 2.530 3.517 0.017 1 0 "[ . 1 . 2]" 1
467 1 57 THR H 1 60 ASN HA 5.000 . 5.000 4.671 3.629 5.136 0.136 19 0 "[ . 1 . 2]" 1
468 1 60 ASN HA 1 61 LEU H 5.000 . 5.000 3.319 2.268 3.570 . 0 0 "[ . 1 . 2]" 1
469 1 60 ASN H 1 60 ASN QB 3.500 . 4.500 2.473 2.103 3.488 . 0 0 "[ . 1 . 2]" 1
470 1 60 ASN QB 1 61 LEU H 5.000 . 6.000 2.785 1.920 4.038 . 0 0 "[ . 1 . 2]" 1
471 1 57 THR H 1 60 ASN H 5.000 . 5.000 4.182 2.703 5.001 0.001 7 0 "[ . 1 . 2]" 1
472 1 61 LEU HA 1 62 GLY H 3.500 . 3.500 2.497 2.138 3.537 0.037 20 0 "[ . 1 . 2]" 1
473 1 61 LEU HA 1 63 LYS H 5.000 . 5.000 4.036 3.300 4.835 . 0 0 "[ . 1 . 2]" 1
474 1 56 LYS H 1 61 LEU QB 5.000 . 6.000 5.514 3.637 6.019 0.019 6 0 "[ . 1 . 2]" 1
475 1 60 ASN H 1 61 LEU QB 5.000 . 6.000 4.551 3.358 5.278 . 0 0 "[ . 1 . 2]" 1
476 1 61 LEU H 1 61 LEU QB 2.900 . 3.900 2.965 2.522 3.289 . 0 0 "[ . 1 . 2]" 1
477 1 61 LEU QB 1 62 GLY H 5.000 . 6.000 3.544 1.910 4.042 . 0 0 "[ . 1 . 2]" 1
478 1 60 ASN H 1 61 LEU H 3.500 . 3.500 2.839 2.064 3.528 0.028 1 0 "[ . 1 . 2]" 1
479 1 61 LEU H 1 64 ALA H 3.500 . 3.500 3.436 3.007 3.530 0.030 6 0 "[ . 1 . 2]" 1
480 1 62 GLY QA 1 63 LYS H 3.500 . 4.500 2.796 2.341 2.919 . 0 0 "[ . 1 . 2]" 1
481 1 63 LYS HA 1 66 GLU H 2.900 . 2.900 3.015 2.963 3.048 0.148 20 0 "[ . 1 . 2]" 1
482 1 63 LYS HA 1 68 THR H 3.500 . 3.500 3.449 3.036 3.537 0.037 1 0 "[ . 1 . 2]" 1
483 1 63 LYS QB 1 64 ALA H 5.000 . 6.000 3.304 2.521 4.030 . 0 0 "[ . 1 . 2]" 1
484 1 63 LYS H 1 63 LYS QD 5.000 . 6.000 4.282 2.682 5.239 . 0 0 "[ . 1 . 2]" 1
485 1 63 LYS QD 1 64 ALA H 5.000 . 6.000 4.900 4.303 5.840 . 0 0 "[ . 1 . 2]" 1
486 1 63 LYS H 1 65 GLU H 5.000 . 5.000 4.220 3.099 5.023 0.023 6 0 "[ . 1 . 2]" 1
487 1 63 LYS H 1 66 GLU H 5.000 . 5.000 4.818 4.489 5.009 0.009 4 0 "[ . 1 . 2]" 1
488 1 64 ALA HA 1 65 GLU H 2.900 . 2.900 2.760 2.333 3.139 0.239 13 0 "[ . 1 . 2]" 1
489 1 64 ALA HA 1 67 LYS H 3.500 . 3.500 3.662 3.541 3.840 0.340 3 0 "[ . 1 . 2]" 1
490 1 64 ALA MB 1 65 GLU H 5.000 . 6.100 3.535 3.338 3.697 . 0 0 "[ . 1 . 2]" 1
491 1 64 ALA MB 1 66 GLU H 5.000 . 6.100 4.502 3.958 4.880 . 0 0 "[ . 1 . 2]" 1
492 1 64 ALA H 1 68 THR H 3.500 . 3.500 2.917 1.859 3.652 0.152 4 0 "[ . 1 . 2]" 1
493 1 65 GLU QG 1 66 GLU H 5.000 . 6.000 4.294 2.099 4.594 . 0 0 "[ . 1 . 2]" 1
494 1 66 GLU HA 1 69 LYS H 3.500 . 3.500 3.461 3.106 3.672 0.172 1 0 "[ . 1 . 2]" 1
495 1 65 GLU H 1 66 GLU QB 3.500 . 4.500 4.582 4.441 4.698 0.198 11 0 "[ . 1 . 2]" 1
496 1 66 GLU H 1 66 GLU QB 3.500 . 4.500 3.015 2.877 3.132 . 0 0 "[ . 1 . 2]" 1
497 1 66 GLU QB 1 67 LYS H 5.000 . 6.000 3.882 3.825 4.019 . 0 0 "[ . 1 . 2]" 1
498 1 65 GLU H 1 66 GLU H 2.900 . 2.900 2.105 1.859 2.310 . 0 0 "[ . 1 . 2]" 1
499 1 66 GLU H 1 67 LYS HA 5.000 . 5.000 4.701 4.488 4.960 . 0 0 "[ . 1 . 2]" 1
500 1 67 LYS HA 1 68 THR H 3.500 . 3.500 3.532 3.521 3.546 0.046 12 0 "[ . 1 . 2]" 1
501 1 67 LYS QB 1 68 THR H 5.000 . 6.000 2.323 1.916 2.570 . 0 0 "[ . 1 . 2]" 1
502 1 67 LYS QG 1 68 THR H 5.000 . 6.000 3.916 2.821 4.381 . 0 0 "[ . 1 . 2]" 1
503 1 64 ALA H 1 68 THR HB 5.000 . 5.000 3.543 2.635 4.216 . 0 0 "[ . 1 . 2]" 1
504 1 68 THR HB 1 69 LYS H 5.000 . 5.000 3.659 3.109 4.090 . 0 0 "[ . 1 . 2]" 1
505 1 67 LYS H 1 69 LYS H 2.900 . 2.900 2.480 1.978 3.037 0.137 8 0 "[ . 1 . 2]" 1
506 1 31 ASP H 1 35 HIS QB 5.000 . 6.000 4.530 3.964 6.200 0.200 20 0 "[ . 1 . 2]" 1
507 1 29 GLY H 1 32 GLY H 5.000 . 5.000 2.902 2.829 3.237 . 0 0 "[ . 1 . 2]" 1
508 1 33 ARG QG 1 35 HIS H 5.000 . 6.000 4.855 4.696 5.341 . 0 0 "[ . 1 . 2]" 1
509 1 32 GLY H 1 35 HIS QB 5.000 . 6.000 3.751 3.483 4.412 . 0 0 "[ . 1 . 2]" 1
510 1 45 ILE H 1 46 PHE H 3.500 . 3.500 2.665 2.564 2.765 . 0 0 "[ . 1 . 2]" 1
511 1 7 LYS QD 1 11 LYS H 5.000 . 6.000 5.441 4.452 6.006 0.006 7 0 "[ . 1 . 2]" 1
512 1 14 ARG H 1 19 PHE HA 5.000 . 5.000 5.145 5.072 5.194 0.194 16 0 "[ . 1 . 2]" 1
513 1 40 ALA H 1 41 LEU QB 5.000 . 5.000 4.424 4.294 4.676 . 0 0 "[ . 1 . 2]" 1
514 1 18 LEU H 1 43 ALA HA 5.000 . 6.000 4.645 4.251 5.151 . 0 0 "[ . 1 . 2]" 1
515 1 41 LEU QB 1 43 ALA H 5.000 . 6.000 4.846 4.672 5.137 . 0 0 "[ . 1 . 2]" 1
516 1 45 ILE HA 1 49 ARG H 5.000 . 5.000 3.555 3.414 3.718 . 0 0 "[ . 1 . 2]" 1
517 1 45 ILE MD 1 49 ARG H 5.000 . 6.100 5.078 3.422 6.150 0.050 3 0 "[ . 1 . 2]" 1
518 1 43 ALA MB 1 45 ILE H 5.000 . 6.000 4.503 4.422 4.681 . 0 0 "[ . 1 . 2]" 1
519 1 42 CYS H 1 46 PHE QD 5.000 . 6.000 5.982 5.764 6.067 0.067 16 0 "[ . 1 . 2]" 1
520 1 21 THR HG1 1 23 GLU H 5.000 . 6.000 2.739 1.816 3.685 . 0 0 "[ . 1 . 2]" 1
521 1 41 LEU H 1 42 CYS HA 5.000 . 5.000 5.151 5.133 5.180 0.180 7 0 "[ . 1 . 2]" 1
522 1 32 GLY H 1 41 LEU QB 5.000 . 5.000 5.136 5.097 5.187 0.187 12 0 "[ . 1 . 2]" 1
523 1 2 GLU QB 1 5 PHE HA 5.000 . 6.100 6.132 6.121 6.151 0.051 11 0 "[ . 1 . 2]" 1
524 1 2 GLU QB 1 6 CYS HA 5.000 . 6.100 5.781 5.726 5.824 . 0 0 "[ . 1 . 2]" 1
525 1 5 PHE QB 1 6 CYS QB 3.500 . 3.500 3.562 3.526 3.610 0.110 7 0 "[ . 1 . 2]" 1
526 1 6 CYS QB 1 42 CYS QB 5.000 . 6.100 1.858 1.776 2.195 0.024 14 0 "[ . 1 . 2]" 1
527 1 7 LYS HA 1 10 GLU QG 5.000 . 6.100 2.435 1.916 3.726 . 0 0 "[ . 1 . 2]" 1
528 1 9 TYR QB 1 18 LEU QD 5.000 . 6.100 1.876 1.795 2.224 0.005 6 0 "[ . 1 . 2]" 1
529 1 6 CYS QB 1 9 TYR QD 5.000 . 6.100 4.346 3.418 4.836 . 0 0 "[ . 1 . 2]" 1
530 1 9 TYR QD 1 10 GLU QG 5.000 . 6.100 5.773 5.421 6.193 0.093 12 0 "[ . 1 . 2]" 1
531 1 9 TYR QD 1 18 LEU QD 5.000 . 6.100 2.421 1.868 3.033 . 0 0 "[ . 1 . 2]" 1
532 1 9 TYR QD 1 42 CYS QB 5.000 . 6.100 4.384 2.869 5.304 . 0 0 "[ . 1 . 2]" 1
533 1 9 TYR QE 1 39 CYS QB 5.000 . 6.100 3.642 1.959 4.825 . 0 0 "[ . 1 . 2]" 1
534 1 7 LYS QB 1 9 TYR H 5.000 . 5.460 4.340 4.318 4.397 . 0 0 "[ . 1 . 2]" 1
535 1 10 GLU HA 1 13 VAL QG 5.000 . 6.100 2.834 1.799 3.702 0.001 13 0 "[ . 1 . 2]" 1
536 1 7 LYS QG 1 10 GLU QG 2.900 . 4.000 3.739 3.209 4.013 0.013 4 0 "[ . 1 . 2]" 1
537 1 11 LYS QB 1 13 VAL QG 5.000 . 6.100 4.913 4.677 5.310 . 0 0 "[ . 1 . 2]" 1
538 1 7 LYS QB 1 11 LYS QG 5.000 . 6.100 5.537 4.855 5.968 . 0 0 "[ . 1 . 2]" 1
539 1 12 GLN QB 1 18 LEU QD 5.000 . 6.100 4.863 3.368 6.115 0.015 13 0 "[ . 1 . 2]" 1
540 1 12 GLN QG 1 18 LEU QD 5.000 . 6.100 4.874 4.153 5.416 . 0 0 "[ . 1 . 2]" 1
541 1 13 VAL HA 1 18 LEU QD 5.000 . 5.000 4.131 3.262 4.390 . 0 0 "[ . 1 . 2]" 1
542 1 13 VAL HB 1 18 LEU QD 5.000 . 6.100 4.697 4.074 5.673 . 0 0 "[ . 1 . 2]" 1
543 1 13 VAL QG 1 18 LEU QD 5.000 . 6.100 3.297 2.715 3.839 . 0 0 "[ . 1 . 2]" 1
544 1 13 VAL HA 1 14 ARG HA 5.000 . 6.100 4.387 4.366 4.402 . 0 0 "[ . 1 . 2]" 1
545 1 13 VAL QG 1 14 ARG HA 5.000 . 6.100 3.514 3.452 3.714 . 0 0 "[ . 1 . 2]" 1
546 1 13 VAL QG 1 15 ASN HA 5.000 . 6.100 4.807 4.665 4.996 . 0 0 "[ . 1 . 2]" 1
547 1 13 VAL QG 1 16 GLY H 3.500 . 3.500 2.669 2.469 2.951 . 0 0 "[ . 1 . 2]" 1
548 1 13 VAL HA 1 17 ARG HA 5.000 . 6.100 4.736 4.480 5.183 . 0 0 "[ . 1 . 2]" 1
549 1 13 VAL QG 1 17 ARG HA 5.000 . 6.100 2.709 2.454 3.155 . 0 0 "[ . 1 . 2]" 1
550 1 17 ARG HA 1 18 LEU HG 5.000 . 6.100 5.325 4.660 6.213 0.113 3 0 "[ . 1 . 2]" 1
551 1 13 VAL QG 1 17 ARG QB 5.000 . 6.100 3.714 3.619 3.847 . 0 0 "[ . 1 . 2]" 1
552 1 17 ARG QD 1 18 LEU HG 5.000 . 6.100 5.614 3.935 6.108 0.008 8 0 "[ . 1 . 2]" 1
553 1 13 VAL QG 1 17 ARG QG 5.000 . 6.100 4.022 3.613 4.478 . 0 0 "[ . 1 . 2]" 1
554 1 17 ARG QG 1 18 LEU QD 5.000 . 6.100 3.660 2.520 5.376 . 0 0 "[ . 1 . 2]" 1
555 1 18 LEU QD 1 42 CYS QB 5.000 . 6.100 1.756 1.700 1.794 0.100 1 0 "[ . 1 . 2]" 1
556 1 17 ARG QB 1 18 LEU H 5.000 . 6.100 2.964 2.453 3.333 . 0 0 "[ . 1 . 2]" 1
557 1 18 LEU QD 1 19 PHE HA 5.000 . 6.100 4.332 3.542 4.617 . 0 0 "[ . 1 . 2]" 1
558 1 13 VAL QG 1 19 PHE QB 5.000 . 6.100 5.348 5.006 5.538 . 0 0 "[ . 1 . 2]" 1
559 1 18 LEU QD 1 19 PHE QD 5.000 . 6.100 4.343 1.826 4.877 . 0 0 "[ . 1 . 2]" 1
560 1 21 THR HA 1 22 ARG QB 5.000 . 6.100 4.386 4.270 4.949 . 0 0 "[ . 1 . 2]" 1
561 1 21 THR HG1 1 23 GLU QG 5.000 . 6.100 4.555 3.665 6.107 0.007 16 0 "[ . 1 . 2]" 1
562 1 22 ARG HA 1 23 GLU QG 5.000 . 6.100 5.950 5.317 6.107 0.007 3 0 "[ . 1 . 2]" 1
563 1 22 ARG QB 1 22 ARG QD 2.900 . 4.000 2.124 1.997 2.419 . 0 0 "[ . 1 . 2]" 1
564 1 22 ARG QD 1 23 GLU HA 5.000 . 6.100 2.993 2.349 5.241 . 0 0 "[ . 1 . 2]" 1
565 1 22 ARG QD 1 23 GLU QB 3.500 . 3.500 3.456 3.185 3.525 0.025 9 0 "[ . 1 . 2]" 1
566 1 26 PRO QB 1 26 PRO QD 2.900 . 4.000 2.675 2.633 2.768 . 0 0 "[ . 1 . 2]" 1
567 1 34 MET QB 1 36 GLY QA 5.000 . 6.100 5.042 4.615 6.011 . 0 0 "[ . 1 . 2]" 1
568 1 34 MET QB 1 38 LYS H 5.000 . 6.100 5.704 3.552 6.169 0.069 3 0 "[ . 1 . 2]" 1
569 1 37 ASN QB 1 38 LYS H 5.000 . 6.100 3.504 2.541 3.787 . 0 0 "[ . 1 . 2]" 1
570 1 39 CYS QB 1 42 CYS QB 5.000 . 6.100 4.570 4.019 4.907 . 0 0 "[ . 1 . 2]" 1
571 1 39 CYS QB 1 43 ALA HA 5.000 . 6.100 6.005 5.589 6.216 0.116 3 0 "[ . 1 . 2]" 1
572 1 34 MET QB 1 39 CYS H 5.000 . 6.100 5.576 5.097 5.948 . 0 0 "[ . 1 . 2]" 1
573 1 18 LEU QD 1 40 ALA HA 5.000 . 6.100 4.950 4.301 5.429 . 0 0 "[ . 1 . 2]" 1
574 1 40 ALA HA 1 43 ALA MB 2.900 . 4.000 2.352 2.235 2.479 . 0 0 "[ . 1 . 2]" 1
575 1 37 ASN QB 1 40 ALA MB 5.000 . 6.100 2.867 2.488 3.997 . 0 0 "[ . 1 . 2]" 1
576 1 37 ASN QB 1 41 LEU H 5.000 . 6.100 4.168 3.771 5.350 . 0 0 "[ . 1 . 2]" 1
577 1 42 CYS QB 1 43 ALA MB 5.000 . 6.100 3.995 3.786 4.057 . 0 0 "[ . 1 . 2]" 1
578 1 18 LEU QD 1 43 ALA HA 5.000 . 6.100 2.665 1.934 3.303 . 0 0 "[ . 1 . 2]" 1
579 1 43 ALA MB 1 44 GLU QB 5.000 . 6.100 3.942 3.837 4.049 . 0 0 "[ . 1 . 2]" 1
580 1 44 GLU QB 1 45 ILE QG 5.000 . 6.100 3.403 3.023 4.152 . 0 0 "[ . 1 . 2]" 1
581 1 45 ILE MD 1 49 ARG QD 5.000 . 6.100 5.282 3.919 6.118 0.018 10 0 "[ . 1 . 2]" 1
582 1 42 CYS QB 1 46 PHE QD 5.000 . 6.100 4.158 3.793 4.493 . 0 0 "[ . 1 . 2]" 1
583 1 43 ALA HA 1 46 PHE QD 5.000 . 6.100 2.808 1.824 4.185 . 0 0 "[ . 1 . 2]" 1
584 1 18 LEU QD 1 46 PHE QD 5.000 . 6.100 2.681 2.178 3.451 . 0 0 "[ . 1 . 2]" 1
585 1 46 PHE QD 1 49 ARG QB 5.000 . 6.100 4.632 4.023 5.204 . 0 0 "[ . 1 . 2]" 1
586 1 48 ARG H 1 49 ARG QB 5.000 . 6.100 4.413 4.286 4.656 . 0 0 "[ . 1 . 2]" 1
587 1 45 ILE QG 1 49 ARG QB 5.000 . 6.100 2.612 2.293 3.077 . 0 0 "[ . 1 . 2]" 1
588 1 49 ARG QB 1 50 PHE QB 3.500 . 3.500 3.574 3.558 3.603 0.103 19 0 "[ . 1 . 2]" 1
589 1 52 GLU QG 1 53 GLU H 5.000 . 6.100 3.722 1.887 4.180 . 0 0 "[ . 1 . 2]" 1
590 1 26 PRO QB 1 32 GLY QA 5.000 . 6.100 6.143 6.101 6.225 0.125 1 0 "[ . 1 . 2]" 1
591 1 42 CYS QB 1 46 PHE QB 5.000 . 6.100 5.239 4.448 5.479 . 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 192
_Distance_constraint_stats_list.Viol_total 158.090
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0323
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0232
_Distance_constraint_stats_list.Viol_average_violations_only 0.0412
_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 3 LYS 0.011 0.006 14 0 "[ . 1 . 2]"
1 4 ASP 1.470 0.111 11 0 "[ . 1 . 2]"
1 5 PHE 2.205 0.140 7 0 "[ . 1 . 2]"
1 6 CYS 0.006 0.006 2 0 "[ . 1 . 2]"
1 7 LYS 0.011 0.006 14 0 "[ . 1 . 2]"
1 8 GLU 1.470 0.111 11 0 "[ . 1 . 2]"
1 9 TYR 2.205 0.140 7 0 "[ . 1 . 2]"
1 10 GLU 0.006 0.006 2 0 "[ . 1 . 2]"
1 38 LYS 0.075 0.061 1 0 "[ . 1 . 2]"
1 39 CYS 0.183 0.059 3 0 "[ . 1 . 2]"
1 40 ALA 1.032 0.121 5 0 "[ . 1 . 2]"
1 42 CYS 0.419 0.061 1 0 "[ . 1 . 2]"
1 43 ALA 0.192 0.059 3 0 "[ . 1 . 2]"
1 44 GLU 1.283 0.121 5 0 "[ . 1 . 2]"
1 45 ILE 0.409 0.056 3 0 "[ . 1 . 2]"
1 46 PHE 1.083 0.059 19 0 "[ . 1 . 2]"
1 47 LYS 0.137 0.022 5 0 "[ . 1 . 2]"
1 48 ARG 0.251 0.037 13 0 "[ . 1 . 2]"
1 49 ARG 0.779 0.056 3 0 "[ . 1 . 2]"
1 50 PHE 1.411 0.059 19 0 "[ . 1 . 2]"
1 51 SER 0.129 0.022 5 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.370 0.038 5 0 "[ . 1 . 2]"
1 54 ASN 0.673 0.052 10 0 "[ . 1 . 2]"
1 55 SER 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 3 LYS O 1 7 LYS N 2.800 2.600 3.000 2.657 2.594 2.752 0.006 14 0 "[ . 1 . 2]" 2
2 1 4 ASP O 1 8 GLU N 2.800 2.600 3.000 3.073 3.054 3.111 0.111 11 0 "[ . 1 . 2]" 2
3 1 5 PHE O 1 9 TYR N 2.800 2.600 3.000 3.110 3.097 3.140 0.140 7 0 "[ . 1 . 2]" 2
4 1 6 CYS O 1 10 GLU N 2.800 2.600 3.000 2.815 2.653 3.006 0.006 2 0 "[ . 1 . 2]" 2
5 1 38 LYS O 1 42 CYS N 2.800 2.600 3.000 2.905 2.610 3.061 0.061 1 0 "[ . 1 . 2]" 2
6 1 39 CYS O 1 43 ALA N 2.800 2.600 3.000 2.728 2.541 2.840 0.059 3 0 "[ . 1 . 2]" 2
7 1 40 ALA O 1 44 GLU N 2.800 2.600 3.000 3.004 2.652 3.121 0.121 5 0 "[ . 1 . 2]" 2
8 1 42 CYS O 1 46 PHE N 2.800 2.600 3.000 2.995 2.741 3.044 0.044 18 0 "[ . 1 . 2]" 2
9 1 43 ALA O 1 47 LYS N 2.800 2.600 3.000 2.859 2.640 3.008 0.008 5 0 "[ . 1 . 2]" 2
10 1 44 GLU O 1 48 ARG N 2.800 2.600 3.000 2.992 2.829 3.037 0.037 13 0 "[ . 1 . 2]" 2
11 1 45 ILE O 1 49 ARG N 2.800 2.600 3.000 2.587 2.544 2.661 0.056 3 0 "[ . 1 . 2]" 2
12 1 46 PHE O 1 50 PHE N 2.800 2.600 3.000 2.563 2.541 2.586 0.059 19 0 "[ . 1 . 2]" 2
13 1 47 LYS O 1 51 SER N 2.800 2.600 3.000 2.996 2.839 3.022 0.022 5 0 "[ . 1 . 2]" 2
14 1 48 ARG O 1 52 GLU N 2.800 2.600 3.000 2.849 2.721 2.904 . 0 0 "[ . 1 . 2]" 2
15 1 49 ARG O 1 53 GLU N 2.800 2.600 3.000 2.582 2.562 2.601 0.038 5 0 "[ . 1 . 2]" 2
16 1 50 PHE O 1 54 ASN N 2.800 2.600 3.000 2.566 2.548 2.572 0.052 10 0 "[ . 1 . 2]" 2
17 1 51 SER O 1 55 SER N 2.800 2.600 3.000 2.762 2.675 2.873 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 7:26:27 AM GMT (wattos1)