NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508781 |
2yrc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yrc
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 14
_Distance_constraint_stats_list.Viol_count 71
_Distance_constraint_stats_list.Viol_total 1.552
_Distance_constraint_stats_list.Viol_max 0.004
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 12 CYS 0.029 0.004 12 0 "[ . 1 . 2]"
1 17 CYS 0.018 0.002 16 0 "[ . 1 . 2]"
1 36 CYS 0.037 0.004 12 0 "[ . 1 . 2]"
1 39 CYS 0.033 0.004 12 0 "[ . 1 . 2]"
2 1 ZN 0.039 0.004 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 CYS SG 2 1 ZN ZN . 2.250 2.350 2.272 2.248 2.320 0.002 12 0 "[ . 1 . 2]" 1
2 1 17 CYS SG 2 1 ZN ZN . 2.250 2.350 2.265 2.248 2.328 0.002 4 0 "[ . 1 . 2]" 1
3 1 36 CYS SG 2 1 ZN ZN . 2.250 2.350 2.336 2.279 2.352 0.002 3 0 "[ . 1 . 2]" 1
4 1 39 CYS SG 2 1 ZN ZN . 2.250 2.350 2.334 2.284 2.354 0.004 12 0 "[ . 1 . 2]" 1
5 1 12 CYS SG 1 17 CYS SG . 3.650 3.850 3.831 3.727 3.851 0.001 18 0 "[ . 1 . 2]" 1
6 1 12 CYS SG 1 36 CYS SG . 3.650 3.850 3.829 3.724 3.854 0.004 12 0 "[ . 1 . 2]" 1
7 1 12 CYS SG 1 39 CYS SG . 3.650 3.850 3.657 3.647 3.733 0.003 4 0 "[ . 1 . 2]" 1
8 1 17 CYS SG 1 36 CYS SG . 3.650 3.850 3.699 3.648 3.849 0.002 8 0 "[ . 1 . 2]" 1
9 1 17 CYS SG 1 39 CYS SG . 3.650 3.850 3.842 3.783 3.852 0.002 16 0 "[ . 1 . 2]" 1
10 1 36 CYS SG 1 39 CYS SG . 3.650 3.850 3.654 3.649 3.685 0.001 3 0 "[ . 1 . 2]" 1
11 1 12 CYS CB 2 1 ZN ZN . 3.120 3.400 3.349 3.181 3.401 0.001 11 0 "[ . 1 . 2]" 1
12 1 17 CYS CB 2 1 ZN ZN . 3.120 3.400 3.252 3.119 3.401 0.001 16 0 "[ . 1 . 2]" 1
13 1 36 CYS CB 2 1 ZN ZN . 3.120 3.400 3.128 3.117 3.159 0.003 18 0 "[ . 1 . 2]" 1
14 1 39 CYS CB 2 1 ZN ZN . 3.120 3.400 3.283 3.174 3.400 0.000 13 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 701
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 55.943
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0134
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.155 0.071 16 0 "[ . 1 . 2]"
1 9 PRO 0.095 0.071 16 0 "[ . 1 . 2]"
1 10 VAL 0.037 0.027 1 0 "[ . 1 . 2]"
1 11 LEU 0.021 0.006 15 0 "[ . 1 . 2]"
1 12 CYS 0.043 0.012 19 0 "[ . 1 . 2]"
1 13 SER 0.014 0.006 4 0 "[ . 1 . 2]"
1 14 ARG 0.087 0.042 14 0 "[ . 1 . 2]"
1 15 THR 0.028 0.012 12 0 "[ . 1 . 2]"
1 16 THR 0.033 0.022 12 0 "[ . 1 . 2]"
1 17 CYS 0.061 0.042 14 0 "[ . 1 . 2]"
1 18 ARG 0.021 0.017 18 0 "[ . 1 . 2]"
1 19 ALA 0.505 0.148 20 0 "[ . 1 . 2]"
1 20 VAL 0.533 0.148 20 0 "[ . 1 . 2]"
1 21 LEU 0.017 0.004 20 0 "[ . 1 . 2]"
1 22 ASN 0.012 0.005 19 0 "[ . 1 . 2]"
1 23 PRO 0.007 0.005 19 0 "[ . 1 . 2]"
1 24 LEU 0.138 0.043 2 0 "[ . 1 . 2]"
1 25 CYS 0.024 0.011 12 0 "[ . 1 . 2]"
1 26 GLN 0.284 0.096 19 0 "[ . 1 . 2]"
1 27 VAL 0.529 0.065 9 0 "[ . 1 . 2]"
1 28 ASP 0.135 0.020 9 0 "[ . 1 . 2]"
1 29 TYR 0.091 0.025 12 0 "[ . 1 . 2]"
1 30 ARG 0.183 0.090 15 0 "[ . 1 . 2]"
1 31 ALA 0.012 0.006 10 0 "[ . 1 . 2]"
1 32 LYS 0.001 0.001 9 0 "[ . 1 . 2]"
1 33 LEU 0.326 0.040 10 0 "[ . 1 . 2]"
1 34 TRP 0.541 0.065 9 0 "[ . 1 . 2]"
1 35 ALA 0.141 0.041 19 0 "[ . 1 . 2]"
1 36 CYS 0.010 0.006 13 0 "[ . 1 . 2]"
1 37 ASN 0.039 0.011 12 0 "[ . 1 . 2]"
1 38 PHE 0.005 0.005 20 0 "[ . 1 . 2]"
1 39 CYS 0.003 0.001 16 0 "[ . 1 . 2]"
1 40 TYR 0.007 0.006 13 0 "[ . 1 . 2]"
1 41 GLN 0.036 0.008 12 0 "[ . 1 . 2]"
1 42 ARG 0.044 0.013 12 0 "[ . 1 . 2]"
1 43 ASN 0.009 0.005 12 0 "[ . 1 . 2]"
1 44 GLN 0.197 0.099 11 0 "[ . 1 . 2]"
1 45 PHE 0.100 0.024 19 0 "[ . 1 . 2]"
1 46 PRO 0.012 0.011 3 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 TYR 0.051 0.031 3 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.071 0.031 3 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.071 0.016 4 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLN 0.046 0.046 3 0 "[ . 1 . 2]"
1 58 PRO 0.046 0.046 3 0 "[ . 1 . 2]"
1 59 ALA 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 11 LEU HB3 1 12 CYS H . . 4.700 3.205 2.829 3.686 . 0 0 "[ . 1 . 2]" 2
2 1 25 CYS QB 1 35 ALA H . . 4.800 4.030 3.637 4.459 . 0 0 "[ . 1 . 2]" 2
3 1 25 CYS HA 1 37 ASN H . . 4.010 3.710 2.989 4.021 0.011 12 0 "[ . 1 . 2]" 2
4 1 36 CYS HB2 1 37 ASN H . . 4.620 4.124 4.081 4.187 . 0 0 "[ . 1 . 2]" 2
5 1 37 ASN H 1 38 PHE HB2 . . 5.130 4.402 4.208 4.503 . 0 0 "[ . 1 . 2]" 2
6 1 37 ASN H 1 37 ASN HB2 . . 3.960 3.655 3.640 3.663 . 0 0 "[ . 1 . 2]" 2
7 1 37 ASN H 1 37 ASN HB3 . . 3.460 2.612 2.451 2.831 . 0 0 "[ . 1 . 2]" 2
8 1 37 ASN H 1 38 PHE H . . 3.530 2.246 2.209 2.374 . 0 0 "[ . 1 . 2]" 2
9 1 34 TRP HB2 1 35 ALA H . . 4.060 3.541 3.153 3.767 . 0 0 "[ . 1 . 2]" 2
10 1 40 TYR QB 1 41 GLN H . . 4.830 3.913 3.886 3.965 . 0 0 "[ . 1 . 2]" 2
11 1 36 CYS HB3 1 41 GLN H . . 3.540 2.148 1.981 2.298 . 0 0 "[ . 1 . 2]" 2
12 1 41 GLN H 1 41 GLN HB2 . . 3.410 3.147 2.880 3.243 . 0 0 "[ . 1 . 2]" 2
13 1 41 GLN H 1 41 GLN HB3 . . 3.420 2.518 2.441 2.582 . 0 0 "[ . 1 . 2]" 2
14 1 36 CYS HB2 1 41 GLN H . . 4.160 2.610 2.285 2.882 . 0 0 "[ . 1 . 2]" 2
15 1 41 GLN HE21 1 42 ARG H . . 4.590 2.865 1.793 4.511 . 0 0 "[ . 1 . 2]" 2
16 1 41 GLN HE22 1 42 ARG H . . 4.590 3.406 2.805 4.230 . 0 0 "[ . 1 . 2]" 2
17 1 41 GLN HB2 1 42 ARG H . . 4.630 4.153 4.028 4.250 . 0 0 "[ . 1 . 2]" 2
18 1 42 ARG H 1 42 ARG HB2 . . 3.190 2.237 2.176 2.300 . 0 0 "[ . 1 . 2]" 2
19 1 41 GLN HG3 1 42 ARG H . . 3.490 3.169 2.804 3.369 . 0 0 "[ . 1 . 2]" 2
20 1 42 ARG H 1 42 ARG HB3 . . 3.750 3.523 3.483 3.555 . 0 0 "[ . 1 . 2]" 2
21 1 22 ASN H 1 24 LEU H . . 5.410 4.409 4.182 5.291 . 0 0 "[ . 1 . 2]" 2
22 1 21 LEU HA 1 22 ASN H . . 3.130 2.155 2.140 2.247 . 0 0 "[ . 1 . 2]" 2
23 1 22 ASN H 1 25 CYS QB . . 4.420 3.248 2.936 3.399 . 0 0 "[ . 1 . 2]" 2
24 1 22 ASN H 1 25 CYS HG . . 4.710 3.300 1.975 4.559 . 0 0 "[ . 1 . 2]" 2
25 1 21 LEU HG 1 22 ASN H . . 4.380 3.043 2.553 3.462 . 0 0 "[ . 1 . 2]" 2
26 1 21 LEU MD1 1 22 ASN H . . 3.540 2.922 2.112 3.433 . 0 0 "[ . 1 . 2]" 2
27 1 43 ASN H 1 43 ASN HD22 . . 4.730 4.159 3.904 4.470 . 0 0 "[ . 1 . 2]" 2
28 1 42 ARG HA 1 43 ASN H . . 2.810 2.154 2.140 2.177 . 0 0 "[ . 1 . 2]" 2
29 1 42 ARG HB3 1 43 ASN H . . 4.230 3.382 3.190 3.565 . 0 0 "[ . 1 . 2]" 2
30 1 43 ASN H 1 43 ASN HB2 . . 3.450 2.822 2.633 2.990 . 0 0 "[ . 1 . 2]" 2
31 1 10 VAL HA 1 11 LEU H . . 2.940 2.216 2.143 2.266 . 0 0 "[ . 1 . 2]" 2
32 1 11 LEU H 1 11 LEU HB2 . . 3.560 2.423 2.168 2.674 . 0 0 "[ . 1 . 2]" 2
33 1 11 LEU H 1 11 LEU HG . . 3.930 2.969 2.176 3.936 0.006 15 0 "[ . 1 . 2]" 2
34 1 11 LEU H 1 11 LEU MD2 . . 4.580 2.974 1.866 3.736 . 0 0 "[ . 1 . 2]" 2
35 1 17 CYS H 1 18 ARG H . . 3.460 2.796 2.311 3.010 . 0 0 "[ . 1 . 2]" 2
36 1 16 THR H 1 17 CYS H . . 3.580 2.556 2.162 3.081 . 0 0 "[ . 1 . 2]" 2
37 1 16 THR HB 1 17 CYS H . . 4.260 3.852 3.609 4.181 . 0 0 "[ . 1 . 2]" 2
38 1 15 THR HA 1 17 CYS H . . 4.460 4.225 3.753 4.472 0.012 14 0 "[ . 1 . 2]" 2
39 1 17 CYS H 1 17 CYS HB3 . . 3.230 2.658 2.528 2.985 . 0 0 "[ . 1 . 2]" 2
40 1 17 CYS H 1 17 CYS HB2 . . 3.410 2.510 2.264 2.913 . 0 0 "[ . 1 . 2]" 2
41 1 14 ARG HG2 1 17 CYS H . . 4.570 2.555 1.919 2.969 . 0 0 "[ . 1 . 2]" 2
42 1 17 CYS H 1 18 ARG HG2 . . 3.940 3.728 2.710 3.939 . 0 0 "[ . 1 . 2]" 2
43 1 14 ARG HG3 1 17 CYS H . . 4.570 4.060 2.448 4.489 . 0 0 "[ . 1 . 2]" 2
44 1 16 THR MG 1 17 CYS H . . 4.400 3.962 3.755 4.248 . 0 0 "[ . 1 . 2]" 2
45 1 34 TRP H 1 43 ASN H . . 3.760 3.285 2.889 3.559 . 0 0 "[ . 1 . 2]" 2
46 1 35 ALA HA 1 43 ASN H . . 4.030 3.281 2.892 3.924 . 0 0 "[ . 1 . 2]" 2
47 1 43 ASN H 1 43 ASN HD21 . . 4.090 3.218 2.895 3.476 . 0 0 "[ . 1 . 2]" 2
48 1 42 ARG HG2 1 43 ASN H . . 4.660 4.056 3.813 4.364 . 0 0 "[ . 1 . 2]" 2
49 1 33 LEU MD2 1 43 ASN H . . 4.550 3.225 2.913 3.766 . 0 0 "[ . 1 . 2]" 2
50 1 9 PRO HB3 1 10 VAL H . . 4.470 3.832 3.458 4.126 . 0 0 "[ . 1 . 2]" 2
51 1 10 VAL H 1 10 VAL HB . . 3.580 2.574 2.466 3.607 0.027 1 0 "[ . 1 . 2]" 2
52 1 17 CYS HB3 1 19 ALA H . . 4.620 3.162 2.639 3.451 . 0 0 "[ . 1 . 2]" 2
53 1 18 ARG H 1 19 ALA H . . 3.940 2.868 2.648 3.111 . 0 0 "[ . 1 . 2]" 2
54 1 12 CYS HB2 1 19 ALA H . . 4.180 2.388 1.906 2.894 . 0 0 "[ . 1 . 2]" 2
55 1 12 CYS HB3 1 19 ALA H . . 3.540 2.218 1.899 2.556 . 0 0 "[ . 1 . 2]" 2
56 1 19 ALA H 1 19 ALA MB . . 3.230 2.232 2.065 2.353 . 0 0 "[ . 1 . 2]" 2
57 1 45 PHE H 1 45 PHE QD . . 3.480 2.449 1.917 3.198 . 0 0 "[ . 1 . 2]" 2
58 1 33 LEU HA 1 45 PHE H . . 3.870 3.701 3.433 3.876 0.006 13 0 "[ . 1 . 2]" 2
59 1 45 PHE H 1 45 PHE HB3 . . 3.680 3.544 3.504 3.589 . 0 0 "[ . 1 . 2]" 2
60 1 45 PHE H 1 45 PHE HB2 . . 3.110 2.293 2.199 2.474 . 0 0 "[ . 1 . 2]" 2
61 1 44 GLN HB2 1 45 PHE H . . 4.350 4.047 3.806 4.208 . 0 0 "[ . 1 . 2]" 2
62 1 44 GLN HB3 1 45 PHE H . . 4.350 2.912 2.699 3.531 . 0 0 "[ . 1 . 2]" 2
63 1 32 LYS HB3 1 45 PHE H . . 4.410 3.804 3.160 4.361 . 0 0 "[ . 1 . 2]" 2
64 1 33 LEU MD2 1 45 PHE H . . 4.320 4.070 3.787 4.320 0.000 12 0 "[ . 1 . 2]" 2
65 1 29 TYR H 1 29 TYR QD . . 3.620 2.478 1.884 3.226 . 0 0 "[ . 1 . 2]" 2
66 1 28 ASP HA 1 29 TYR H . . 3.030 2.418 2.172 2.605 . 0 0 "[ . 1 . 2]" 2
67 1 29 TYR H 1 29 TYR HB3 . . 3.840 3.593 3.548 3.623 . 0 0 "[ . 1 . 2]" 2
68 1 29 TYR H 1 29 TYR HB2 . . 3.840 2.571 2.318 2.965 . 0 0 "[ . 1 . 2]" 2
69 1 13 SER H 1 43 ASN HD22 . . 4.270 3.468 3.041 3.773 . 0 0 "[ . 1 . 2]" 2
70 1 12 CYS HA 1 13 SER H . . 3.090 2.234 2.147 2.336 . 0 0 "[ . 1 . 2]" 2
71 1 13 SER H 1 43 ASN HB3 . . 4.910 4.186 3.767 4.608 . 0 0 "[ . 1 . 2]" 2
72 1 26 GLN H 1 35 ALA H . . 4.010 3.677 3.055 3.974 . 0 0 "[ . 1 . 2]" 2
73 1 25 CYS HA 1 26 GLN H . . 2.830 2.367 2.263 2.451 . 0 0 "[ . 1 . 2]" 2
74 1 25 CYS QB 1 26 GLN H . . 3.400 2.502 2.299 2.754 . 0 0 "[ . 1 . 2]" 2
75 1 26 GLN H 1 26 GLN HG2 . . 4.220 3.363 2.394 4.212 . 0 0 "[ . 1 . 2]" 2
76 1 26 GLN H 1 26 GLN HG3 . . 4.220 3.571 2.605 4.316 0.096 19 0 "[ . 1 . 2]" 2
77 1 26 GLN H 1 26 GLN HB2 . . 3.700 2.421 2.265 3.271 . 0 0 "[ . 1 . 2]" 2
78 1 26 GLN H 1 26 GLN HB3 . . 3.700 3.536 2.266 3.656 . 0 0 "[ . 1 . 2]" 2
79 1 26 GLN H 1 35 ALA MB . . 3.580 3.326 3.038 3.548 . 0 0 "[ . 1 . 2]" 2
80 1 7 GLY QA 1 8 GLU H . . 3.380 2.239 2.111 2.768 . 0 0 "[ . 1 . 2]" 2
81 1 8 GLU H 1 8 GLU QG . . 3.950 3.033 1.918 3.987 0.037 9 0 "[ . 1 . 2]" 2
82 1 8 GLU H 1 8 GLU HB2 . . 4.110 2.880 2.230 3.793 . 0 0 "[ . 1 . 2]" 2
83 1 8 GLU H 1 8 GLU HB3 . . 4.110 3.105 2.414 3.677 . 0 0 "[ . 1 . 2]" 2
84 1 49 TYR H 1 49 TYR QD . . 4.430 2.291 1.899 3.379 . 0 0 "[ . 1 . 2]" 2
85 1 49 TYR H 1 49 TYR HB2 . . 4.060 3.754 3.612 3.880 . 0 0 "[ . 1 . 2]" 2
86 1 49 TYR H 1 49 TYR HB3 . . 4.060 2.785 2.443 3.121 . 0 0 "[ . 1 . 2]" 2
87 1 56 ASN HB2 1 57 GLN H . . 4.660 3.947 2.515 4.573 . 0 0 "[ . 1 . 2]" 2
88 1 56 ASN HB3 1 57 GLN H . . 4.660 3.536 1.913 4.510 . 0 0 "[ . 1 . 2]" 2
89 1 57 GLN H 1 57 GLN QG . . 4.360 3.167 2.091 4.224 . 0 0 "[ . 1 . 2]" 2
90 1 57 GLN H 1 57 GLN HB2 . . 4.060 2.997 2.247 3.947 . 0 0 "[ . 1 . 2]" 2
91 1 57 GLN H 1 57 GLN HB3 . . 4.060 3.132 2.497 3.706 . 0 0 "[ . 1 . 2]" 2
92 1 38 PHE H 1 39 CYS H . . 3.430 2.734 2.599 2.845 . 0 0 "[ . 1 . 2]" 2
93 1 38 PHE H 1 38 PHE QD . . 3.990 2.977 2.621 3.251 . 0 0 "[ . 1 . 2]" 2
94 1 38 PHE H 1 38 PHE HB3 . . 4.050 3.658 3.581 3.723 . 0 0 "[ . 1 . 2]" 2
95 1 38 PHE H 1 38 PHE HB2 . . 3.670 2.470 2.324 2.570 . 0 0 "[ . 1 . 2]" 2
96 1 43 ASN HA 1 44 GLN H . . 3.020 2.337 2.145 2.529 . 0 0 "[ . 1 . 2]" 2
97 1 44 GLN H 1 44 GLN QG . . 3.660 3.056 2.282 3.759 0.099 11 0 "[ . 1 . 2]" 2
98 1 44 GLN H 1 44 GLN HB2 . . 3.920 2.349 2.164 2.534 . 0 0 "[ . 1 . 2]" 2
99 1 44 GLN H 1 44 GLN HB3 . . 3.920 3.532 2.960 3.702 . 0 0 "[ . 1 . 2]" 2
100 1 43 ASN HB3 1 44 GLN H . . 4.050 2.690 2.260 3.386 . 0 0 "[ . 1 . 2]" 2
101 1 52 ILE H 1 52 ILE HG12 . . 4.020 3.311 1.898 4.014 . 0 0 "[ . 1 . 2]" 2
102 1 31 ALA H 1 32 LYS H . . 2.970 2.656 2.233 2.919 . 0 0 "[ . 1 . 2]" 2
103 1 28 ASP HB3 1 31 ALA H . . 4.110 2.877 2.461 3.404 . 0 0 "[ . 1 . 2]" 2
104 1 30 ARG QB 1 31 ALA H . . 3.090 2.434 2.219 3.096 0.006 2 0 "[ . 1 . 2]" 2
105 1 31 ALA H 1 31 ALA MB . . 2.730 2.235 2.072 2.349 . 0 0 "[ . 1 . 2]" 2
106 1 52 ILE H 1 52 ILE HB . . 3.370 2.638 2.475 2.927 . 0 0 "[ . 1 . 2]" 2
107 1 52 ILE H 1 52 ILE HG13 . . 4.020 2.607 1.887 3.607 . 0 0 "[ . 1 . 2]" 2
108 1 52 ILE H 1 52 ILE MG . . 4.250 3.786 3.727 3.887 . 0 0 "[ . 1 . 2]" 2
109 1 52 ILE H 1 52 ILE MD . . 4.610 3.123 1.828 4.193 . 0 0 "[ . 1 . 2]" 2
110 1 30 ARG H 1 31 ALA H . . 2.970 2.864 2.680 2.976 0.006 10 0 "[ . 1 . 2]" 2
111 1 30 ARG H 1 32 LYS H . . 4.130 3.889 3.678 4.041 . 0 0 "[ . 1 . 2]" 2
112 1 28 ASP HA 1 30 ARG H . . 4.280 3.469 3.291 3.865 . 0 0 "[ . 1 . 2]" 2
113 1 29 TYR HB3 1 30 ARG H . . 4.100 3.609 3.059 4.051 . 0 0 "[ . 1 . 2]" 2
114 1 29 TYR HB2 1 30 ARG H . . 4.100 2.748 2.483 3.007 . 0 0 "[ . 1 . 2]" 2
115 1 30 ARG H 1 30 ARG QB . . 3.020 2.284 2.102 2.581 . 0 0 "[ . 1 . 2]" 2
116 1 30 ARG H 1 31 ALA MB . . 4.860 4.632 4.367 4.763 . 0 0 "[ . 1 . 2]" 2
117 1 36 CYS HB3 1 39 CYS H . . 4.190 3.156 2.962 3.294 . 0 0 "[ . 1 . 2]" 2
118 1 39 CYS H 1 40 TYR HA . . 4.980 4.829 4.753 4.870 . 0 0 "[ . 1 . 2]" 2
119 1 38 PHE HB3 1 39 CYS H . . 3.990 2.867 2.621 2.984 . 0 0 "[ . 1 . 2]" 2
120 1 33 LEU HB2 1 34 TRP H . . 4.380 4.192 3.706 4.420 0.040 10 0 "[ . 1 . 2]" 2
121 1 33 LEU HB3 1 34 TRP H . . 4.040 3.044 2.256 3.442 . 0 0 "[ . 1 . 2]" 2
122 1 33 LEU MD2 1 34 TRP H . . 4.400 2.920 2.351 3.350 . 0 0 "[ . 1 . 2]" 2
123 1 34 TRP H 1 43 ASN HB2 . . 4.600 4.350 3.966 4.597 . 0 0 "[ . 1 . 2]" 2
124 1 38 PHE HB2 1 39 CYS H . . 3.740 1.969 1.895 2.159 . 0 0 "[ . 1 . 2]" 2
125 1 34 TRP H 1 34 TRP HD1 . . 4.490 2.613 2.153 3.024 . 0 0 "[ . 1 . 2]" 2
126 1 38 PHE H 1 40 TYR H . . 4.210 3.076 2.811 3.427 . 0 0 "[ . 1 . 2]" 2
127 1 40 TYR H 1 41 GLN H . . 3.550 2.757 2.584 2.882 . 0 0 "[ . 1 . 2]" 2
128 1 39 CYS H 1 40 TYR H . . 2.870 2.568 2.501 2.618 . 0 0 "[ . 1 . 2]" 2
129 1 40 TYR H 1 40 TYR QD . . 3.940 3.805 3.676 3.928 . 0 0 "[ . 1 . 2]" 2
130 1 40 TYR H 1 40 TYR HA . . 2.630 2.275 2.273 2.283 . 0 0 "[ . 1 . 2]" 2
131 1 40 TYR H 1 40 TYR QB . . 3.840 3.137 2.989 3.286 . 0 0 "[ . 1 . 2]" 2
132 1 36 CYS HB3 1 40 TYR H . . 3.490 1.916 1.890 2.033 . 0 0 "[ . 1 . 2]" 2
133 1 39 CYS HB3 1 40 TYR H . . 4.710 3.982 3.868 4.104 . 0 0 "[ . 1 . 2]" 2
134 1 20 VAL H 1 20 VAL HB . . 3.820 2.770 2.406 3.834 0.014 14 0 "[ . 1 . 2]" 2
135 1 24 LEU H 1 25 CYS H . . 3.310 2.327 2.187 2.739 . 0 0 "[ . 1 . 2]" 2
136 1 25 CYS H 1 25 CYS QB . . 3.230 2.349 2.228 2.483 . 0 0 "[ . 1 . 2]" 2
137 1 25 CYS H 1 25 CYS HG . . 3.700 3.074 2.547 3.702 0.002 20 0 "[ . 1 . 2]" 2
138 1 24 LEU MD1 1 25 CYS H . . 5.500 4.413 4.030 4.884 . 0 0 "[ . 1 . 2]" 2
139 1 24 LEU MD2 1 25 CYS H . . 5.500 4.811 4.064 5.049 . 0 0 "[ . 1 . 2]" 2
140 1 33 LEU H 1 45 PHE QE . . 4.210 3.077 2.297 3.852 . 0 0 "[ . 1 . 2]" 2
141 1 33 LEU H 1 45 PHE QD . . 4.820 4.099 3.637 4.807 . 0 0 "[ . 1 . 2]" 2
142 1 28 ASP HB3 1 33 LEU H . . 3.800 2.838 2.215 3.364 . 0 0 "[ . 1 . 2]" 2
143 1 33 LEU H 1 33 LEU HB2 . . 3.610 2.558 2.396 2.773 . 0 0 "[ . 1 . 2]" 2
144 1 31 ALA MB 1 33 LEU H . . 3.820 3.368 3.147 3.551 . 0 0 "[ . 1 . 2]" 2
145 1 23 PRO HD3 1 24 LEU H . . 4.780 3.994 3.837 4.055 . 0 0 "[ . 1 . 2]" 2
146 1 24 LEU H 1 24 LEU HB2 . . 3.950 2.353 2.200 2.623 . 0 0 "[ . 1 . 2]" 2
147 1 24 LEU H 1 24 LEU HG . . 3.540 2.930 2.010 3.567 0.027 2 0 "[ . 1 . 2]" 2
148 1 24 LEU H 1 24 LEU HB3 . . 3.950 3.580 3.492 3.639 . 0 0 "[ . 1 . 2]" 2
149 1 24 LEU H 1 24 LEU MD1 . . 4.490 3.390 2.057 4.083 . 0 0 "[ . 1 . 2]" 2
150 1 28 ASP HB3 1 32 LYS H . . 4.510 4.202 3.682 4.476 . 0 0 "[ . 1 . 2]" 2
151 1 31 ALA MB 1 32 LYS H . . 3.790 3.496 3.202 3.625 . 0 0 "[ . 1 . 2]" 2
152 1 32 LYS H 1 32 LYS HG2 . . 4.370 3.626 2.383 4.371 0.001 9 0 "[ . 1 . 2]" 2
153 1 32 LYS H 1 32 LYS HG3 . . 4.370 3.073 2.274 4.160 . 0 0 "[ . 1 . 2]" 2
154 1 58 PRO HA 1 59 ALA H . . 2.950 2.186 2.150 2.340 . 0 0 "[ . 1 . 2]" 2
155 1 58 PRO HB2 1 59 ALA H . . 4.630 3.461 2.771 3.818 . 0 0 "[ . 1 . 2]" 2
156 1 58 PRO HB3 1 59 ALA H . . 4.630 3.960 3.536 4.201 . 0 0 "[ . 1 . 2]" 2
157 1 59 ALA H 1 59 ALA MB . . 3.660 2.325 2.065 2.914 . 0 0 "[ . 1 . 2]" 2
158 1 13 SER H 1 14 ARG H . . 3.520 2.900 2.725 3.167 . 0 0 "[ . 1 . 2]" 2
159 1 13 SER QB 1 14 ARG H . . 4.430 2.432 2.088 3.347 . 0 0 "[ . 1 . 2]" 2
160 1 12 CYS HA 1 14 ARG H . . 4.540 4.468 4.204 4.548 0.008 11 0 "[ . 1 . 2]" 2
161 1 14 ARG H 1 17 CYS HB3 . . 4.260 3.957 3.753 4.256 . 0 0 "[ . 1 . 2]" 2
162 1 12 CYS HB3 1 14 ARG H . . 4.710 3.906 3.469 4.456 . 0 0 "[ . 1 . 2]" 2
163 1 14 ARG H 1 14 ARG HB2 . . 3.340 2.234 2.159 2.428 . 0 0 "[ . 1 . 2]" 2
164 1 14 ARG H 1 14 ARG HB3 . . 3.340 2.887 2.657 3.020 . 0 0 "[ . 1 . 2]" 2
165 1 11 LEU HA 1 21 LEU H . . 4.620 4.215 3.420 4.621 0.001 14 0 "[ . 1 . 2]" 2
166 1 20 VAL HA 1 21 LEU H . . 3.160 2.223 2.142 2.314 . 0 0 "[ . 1 . 2]" 2
167 1 20 VAL HB 1 21 LEU H . . 4.660 3.797 2.631 4.111 . 0 0 "[ . 1 . 2]" 2
168 1 10 VAL HB 1 21 LEU H . . 4.620 3.189 2.632 4.495 . 0 0 "[ . 1 . 2]" 2
169 1 21 LEU H 1 21 LEU HB3 . . 3.510 2.698 2.331 3.018 . 0 0 "[ . 1 . 2]" 2
170 1 10 VAL MG1 1 21 LEU H . . 5.380 4.019 3.145 5.289 . 0 0 "[ . 1 . 2]" 2
171 1 10 VAL MG2 1 21 LEU H . . 5.380 4.383 2.541 5.050 . 0 0 "[ . 1 . 2]" 2
172 1 11 LEU MD2 1 21 LEU H . . 4.910 4.512 3.888 4.911 0.001 13 0 "[ . 1 . 2]" 2
173 1 21 LEU H 1 21 LEU HG . . 5.310 4.509 4.361 4.591 . 0 0 "[ . 1 . 2]" 2
174 1 21 LEU H 1 21 LEU HB2 . . 3.720 2.371 2.147 2.692 . 0 0 "[ . 1 . 2]" 2
175 1 36 CYS H 1 41 GLN H . . 4.310 2.655 2.375 2.852 . 0 0 "[ . 1 . 2]" 2
176 1 36 CYS H 1 40 TYR H . . 4.300 4.226 4.158 4.306 0.006 13 0 "[ . 1 . 2]" 2
177 1 34 TRP HE3 1 36 CYS H . . 5.220 4.474 3.756 5.222 0.002 19 0 "[ . 1 . 2]" 2
178 1 36 CYS H 1 40 TYR QD . . 5.500 4.952 4.640 5.125 . 0 0 "[ . 1 . 2]" 2
179 1 36 CYS H 1 43 ASN HD22 . . 4.450 3.990 3.586 4.416 . 0 0 "[ . 1 . 2]" 2
180 1 35 ALA HA 1 36 CYS H . . 2.740 2.192 2.155 2.240 . 0 0 "[ . 1 . 2]" 2
181 1 36 CYS H 1 42 ARG HA . . 4.020 3.765 3.516 3.954 . 0 0 "[ . 1 . 2]" 2
182 1 36 CYS H 1 43 ASN HD21 . . 4.210 3.926 3.614 4.212 0.002 20 0 "[ . 1 . 2]" 2
183 1 36 CYS H 1 36 CYS HB3 . . 3.130 2.810 2.739 2.873 . 0 0 "[ . 1 . 2]" 2
184 1 36 CYS H 1 36 CYS HB2 . . 3.180 2.299 2.248 2.351 . 0 0 "[ . 1 . 2]" 2
185 1 36 CYS H 1 41 GLN HB3 . . 4.690 4.292 4.011 4.532 . 0 0 "[ . 1 . 2]" 2
186 1 35 ALA MB 1 36 CYS H . . 3.560 2.948 2.761 3.095 . 0 0 "[ . 1 . 2]" 2
187 1 28 ASP H 1 28 ASP HB3 . . 3.490 2.868 2.802 2.977 . 0 0 "[ . 1 . 2]" 2
188 1 26 GLN H 1 27 VAL H . . 4.380 4.098 3.915 4.249 . 0 0 "[ . 1 . 2]" 2
189 1 28 ASP H 1 33 LEU H . . 4.180 3.319 2.733 3.721 . 0 0 "[ . 1 . 2]" 2
190 1 28 ASP H 1 45 PHE QE . . 4.610 4.036 3.479 4.610 . 0 0 "[ . 1 . 2]" 2
191 1 28 ASP H 1 34 TRP HA . . 3.850 2.955 2.328 3.517 . 0 0 "[ . 1 . 2]" 2
192 1 27 VAL HA 1 28 ASP H . . 2.930 2.172 2.139 2.287 . 0 0 "[ . 1 . 2]" 2
193 1 28 ASP H 1 28 ASP HB2 . . 3.710 2.631 2.412 2.862 . 0 0 "[ . 1 . 2]" 2
194 1 48 SER HA 1 50 ALA H . . 4.110 3.728 3.335 4.092 . 0 0 "[ . 1 . 2]" 2
195 1 26 GLN HA 1 27 VAL H . . 2.830 2.220 2.161 2.283 . 0 0 "[ . 1 . 2]" 2
196 1 26 GLN HB2 1 27 VAL H . . 4.800 4.511 4.321 4.592 . 0 0 "[ . 1 . 2]" 2
197 1 27 VAL H 1 27 VAL HB . . 3.270 2.755 2.457 3.234 . 0 0 "[ . 1 . 2]" 2
198 1 29 TYR H 1 30 ARG H . . 3.500 2.945 2.544 3.125 . 0 0 "[ . 1 . 2]" 2
199 1 46 PRO HG2 1 52 ILE MD . . 4.430 3.643 2.842 4.172 . 0 0 "[ . 1 . 2]" 2
200 1 46 PRO HG3 1 52 ILE MD . . 4.430 3.634 2.661 4.430 . 18 0 "[ . 1 . 2]" 2
201 1 49 TYR QD 1 52 ILE MD . . 4.670 4.189 3.635 4.701 0.031 3 0 "[ . 1 . 2]" 2
202 1 49 TYR HA 1 52 ILE MD . . 3.710 2.069 1.863 2.996 . 0 0 "[ . 1 . 2]" 2
203 1 49 TYR HB2 1 52 ILE MD . . 4.540 2.948 2.061 3.535 . 0 0 "[ . 1 . 2]" 2
204 1 49 TYR HB3 1 52 ILE MD . . 4.540 3.690 2.785 4.545 0.005 6 0 "[ . 1 . 2]" 2
205 1 52 ILE HB 1 52 ILE MD . . 3.500 2.463 2.084 3.229 . 0 0 "[ . 1 . 2]" 2
206 1 42 ARG HB2 1 42 ARG HD2 . . 4.120 3.020 2.135 3.612 . 0 0 "[ . 1 . 2]" 2
207 1 33 LEU MD1 1 42 ARG HD2 . . 5.500 3.776 2.107 5.285 . 0 0 "[ . 1 . 2]" 2
208 1 42 ARG HA 1 42 ARG HD3 . . 5.070 4.415 2.459 4.726 . 0 0 "[ . 1 . 2]" 2
209 1 42 ARG H 1 42 ARG HD2 . . 5.500 4.694 3.472 5.268 . 0 0 "[ . 1 . 2]" 2
210 1 42 ARG H 1 42 ARG HD3 . . 5.500 4.730 3.644 5.373 . 0 0 "[ . 1 . 2]" 2
211 1 14 ARG HD2 1 17 CYS HB2 . . 4.590 3.357 2.135 4.632 0.042 14 0 "[ . 1 . 2]" 2
212 1 14 ARG HD3 1 17 CYS HB2 . . 4.590 3.178 2.118 4.074 . 0 0 "[ . 1 . 2]" 2
213 1 30 ARG HA 1 30 ARG QD . . 4.350 3.639 2.051 4.277 . 0 0 "[ . 1 . 2]" 2
214 1 30 ARG QB 1 30 ARG QD . . 3.450 2.230 2.039 2.672 . 0 0 "[ . 1 . 2]" 2
215 1 18 ARG HA 1 18 ARG HD3 . . 3.980 3.213 2.092 3.940 . 0 0 "[ . 1 . 2]" 2
216 1 32 LYS HB2 1 32 LYS QE . . 4.420 3.264 2.041 4.243 . 0 0 "[ . 1 . 2]" 2
217 1 28 ASP HB3 1 33 LEU HB2 . . 3.960 3.039 2.313 3.489 . 0 0 "[ . 1 . 2]" 2
218 1 28 ASP HB3 1 33 LEU MD1 . . 4.710 4.367 3.789 4.640 . 0 0 "[ . 1 . 2]" 2
219 1 28 ASP HB2 1 33 LEU HB2 . . 4.370 4.018 3.445 4.376 0.006 8 0 "[ . 1 . 2]" 2
220 1 28 ASP HB2 1 31 ALA MB . . 4.050 3.794 3.254 4.049 . 0 0 "[ . 1 . 2]" 2
221 1 28 ASP HB2 1 33 LEU MD1 . . 5.500 5.097 4.438 5.459 . 0 0 "[ . 1 . 2]" 2
222 1 28 ASP HB2 1 29 TYR H . . 4.920 4.649 4.589 4.668 . 0 0 "[ . 1 . 2]" 2
223 1 28 ASP HB2 1 33 LEU H . . 4.480 4.205 3.802 4.500 0.020 9 0 "[ . 1 . 2]" 2
224 1 49 TYR QD 1 55 LEU HB2 . . 5.080 3.594 2.122 4.545 . 0 0 "[ . 1 . 2]" 2
225 1 52 ILE MG 1 55 LEU HB2 . . 4.790 2.702 1.979 3.242 . 0 0 "[ . 1 . 2]" 2
226 1 49 TYR QD 1 55 LEU HB3 . . 5.080 3.088 2.015 4.603 . 0 0 "[ . 1 . 2]" 2
227 1 52 ILE MG 1 55 LEU HB3 . . 4.790 4.136 3.481 4.662 . 0 0 "[ . 1 . 2]" 2
228 1 34 TRP HE1 1 43 ASN HB3 . . 4.370 3.223 2.773 4.251 . 0 0 "[ . 1 . 2]" 2
229 1 34 TRP HE1 1 43 ASN HB2 . . 4.590 2.580 2.165 3.727 . 0 0 "[ . 1 . 2]" 2
230 1 43 ASN H 1 43 ASN HB3 . . 4.110 3.853 3.776 3.915 . 0 0 "[ . 1 . 2]" 2
231 1 10 VAL MG2 1 21 LEU HB2 . . 5.500 3.304 2.220 4.005 . 0 0 "[ . 1 . 2]" 2
232 1 24 LEU HB2 1 37 ASN HB2 . . 4.880 4.398 3.994 4.881 0.001 18 0 "[ . 1 . 2]" 2
233 1 22 ASN HB2 1 24 LEU H . . 4.580 2.371 2.265 2.574 . 0 0 "[ . 1 . 2]" 2
234 1 22 ASN H 1 22 ASN HB3 . . 3.840 3.404 3.229 3.555 . 0 0 "[ . 1 . 2]" 2
235 1 22 ASN HB3 1 23 PRO HD3 . . 4.070 3.958 3.767 4.075 0.005 19 0 "[ . 1 . 2]" 2
236 1 46 PRO HD2 1 49 TYR HB2 . . 4.380 3.771 3.255 4.352 . 0 0 "[ . 1 . 2]" 2
237 1 46 PRO HD2 1 49 TYR HB3 . . 4.380 3.059 2.726 3.556 . 0 0 "[ . 1 . 2]" 2
238 1 45 PHE HB3 1 49 TYR QD . . 4.970 4.079 3.584 4.537 . 0 0 "[ . 1 . 2]" 2
239 1 32 LYS HB3 1 45 PHE HB3 . . 5.420 4.909 4.219 5.409 . 0 0 "[ . 1 . 2]" 2
240 1 32 LYS HB3 1 45 PHE HB2 . . 4.510 3.333 2.597 3.894 . 0 0 "[ . 1 . 2]" 2
241 1 45 PHE HB2 1 49 TYR QD . . 5.500 5.255 4.858 5.505 0.005 3 0 "[ . 1 . 2]" 2
242 1 45 PHE HB2 1 46 PRO HD3 . . 5.090 4.841 4.704 4.935 . 0 0 "[ . 1 . 2]" 2
243 1 45 PHE HB2 1 46 PRO HD2 . . 4.490 3.851 3.626 4.016 . 0 0 "[ . 1 . 2]" 2
244 1 15 THR HB 1 16 THR MG . . 4.820 4.477 3.751 4.832 0.012 12 0 "[ . 1 . 2]" 2
245 1 25 CYS HA 1 37 ASN HB2 . . 4.250 3.751 3.391 4.139 . 0 0 "[ . 1 . 2]" 2
246 1 24 LEU HB3 1 37 ASN HB2 . . 4.880 3.746 2.943 4.109 . 0 0 "[ . 1 . 2]" 2
247 1 24 LEU MD1 1 37 ASN HB2 . . 5.500 4.693 3.745 5.500 . 0 0 "[ . 1 . 2]" 2
248 1 24 LEU MD2 1 37 ASN HB2 . . 5.500 4.947 4.055 5.500 . 0 0 "[ . 1 . 2]" 2
249 1 24 LEU MD1 1 37 ASN HB3 . . 5.500 4.771 4.290 5.417 . 0 0 "[ . 1 . 2]" 2
250 1 24 LEU MD2 1 37 ASN HB3 . . 5.500 5.222 4.504 5.507 0.007 20 0 "[ . 1 . 2]" 2
251 1 24 LEU HB2 1 37 ASN HB3 . . 4.420 3.833 3.499 4.145 . 0 0 "[ . 1 . 2]" 2
252 1 24 LEU HB3 1 37 ASN HB3 . . 4.420 3.696 2.860 4.058 . 0 0 "[ . 1 . 2]" 2
253 1 54 GLU HA 1 54 GLU HG3 . . 3.960 3.246 2.412 3.781 . 0 0 "[ . 1 . 2]" 2
254 1 15 THR HA 1 18 ARG HG2 . . 3.900 2.773 2.001 3.903 0.003 6 0 "[ . 1 . 2]" 2
255 1 22 ASN HA 1 23 PRO HA . . 4.680 4.388 4.387 4.389 . 0 0 "[ . 1 . 2]" 2
256 1 23 PRO HA 1 25 CYS H . . 4.550 4.252 3.953 4.529 . 0 0 "[ . 1 . 2]" 2
257 1 44 GLN QG 1 45 PHE H . . 4.330 3.683 2.056 4.237 . 0 0 "[ . 1 . 2]" 2
258 1 44 GLN HA 1 44 GLN QG . . 3.550 2.343 2.154 2.667 . 0 0 "[ . 1 . 2]" 2
259 1 33 LEU MD2 1 44 GLN QG . . 3.610 2.133 1.812 3.099 . 0 0 "[ . 1 . 2]" 2
260 1 27 VAL HB 1 45 PHE HZ . . 5.200 4.488 4.049 4.892 . 0 0 "[ . 1 . 2]" 2
261 1 26 GLN HA 1 26 GLN HG2 . . 4.100 2.786 2.209 3.792 . 0 0 "[ . 1 . 2]" 2
262 1 46 PRO HA 1 47 PRO HA . . 4.760 4.399 4.396 4.408 . 0 0 "[ . 1 . 2]" 2
263 1 13 SER H 1 13 SER QB . . 3.440 2.277 2.181 2.509 . 0 0 "[ . 1 . 2]" 2
264 1 36 CYS HB3 1 43 ASN HD22 . . 5.050 4.697 4.395 4.985 . 0 0 "[ . 1 . 2]" 2
265 1 36 CYS HB2 1 40 TYR H . . 3.970 3.646 3.607 3.771 . 0 0 "[ . 1 . 2]" 2
266 1 36 CYS HB2 1 43 ASN HD21 . . 4.490 3.660 3.338 4.048 . 0 0 "[ . 1 . 2]" 2
267 1 14 ARG H 1 41 GLN HG2 . . 4.300 4.084 3.663 4.302 0.002 8 0 "[ . 1 . 2]" 2
268 1 13 SER H 1 41 GLN HG2 . . 5.500 5.273 4.866 5.503 0.003 18 0 "[ . 1 . 2]" 2
269 1 41 GLN HG2 1 42 ARG H . . 4.680 4.524 4.197 4.673 . 0 0 "[ . 1 . 2]" 2
270 1 41 GLN HG2 1 43 ASN HD22 . . 5.140 3.792 3.145 4.262 . 0 0 "[ . 1 . 2]" 2
271 1 13 SER QB 1 41 GLN HG2 . . 4.860 3.694 3.248 4.719 . 0 0 "[ . 1 . 2]" 2
272 1 13 SER H 1 41 GLN HG3 . . 5.500 5.409 5.064 5.506 0.006 4 0 "[ . 1 . 2]" 2
273 1 14 ARG H 1 41 GLN HG3 . . 5.310 5.132 4.677 5.318 0.008 12 0 "[ . 1 . 2]" 2
274 1 41 GLN HG3 1 43 ASN HD22 . . 4.850 3.058 2.428 3.466 . 0 0 "[ . 1 . 2]" 2
275 1 17 CYS HB3 1 18 ARG H . . 3.630 1.984 1.915 2.105 . 0 0 "[ . 1 . 2]" 2
276 1 35 ALA HA 1 36 CYS HB3 . . 5.240 4.996 4.874 5.078 . 0 0 "[ . 1 . 2]" 2
277 1 36 CYS HB3 1 40 TYR HA . . 4.220 2.911 2.821 3.084 . 0 0 "[ . 1 . 2]" 2
278 1 17 CYS HB3 1 19 ALA MB . . 5.500 3.976 3.354 4.352 . 0 0 "[ . 1 . 2]" 2
279 1 39 CYS H 1 39 CYS HB2 . . 4.150 3.581 3.560 3.600 . 0 0 "[ . 1 . 2]" 2
280 1 14 ARG HE 1 39 CYS HB2 . . 4.650 3.421 2.523 4.301 . 0 0 "[ . 1 . 2]" 2
281 1 36 CYS HB2 1 43 ASN HD22 . . 4.080 3.207 2.908 3.582 . 0 0 "[ . 1 . 2]" 2
282 1 36 CYS HB2 1 41 GLN HB3 . . 4.510 3.538 3.060 3.880 . 0 0 "[ . 1 . 2]" 2
283 1 39 CYS H 1 39 CYS HB3 . . 3.900 2.401 2.318 2.485 . 0 0 "[ . 1 . 2]" 2
284 1 14 ARG HE 1 39 CYS HB3 . . 4.830 4.215 2.860 4.831 0.001 16 0 "[ . 1 . 2]" 2
285 1 17 CYS HB2 1 18 ARG H . . 4.020 3.452 3.356 3.527 . 0 0 "[ . 1 . 2]" 2
286 1 14 ARG HB2 1 17 CYS HB2 . . 4.350 3.437 2.979 4.006 . 0 0 "[ . 1 . 2]" 2
287 1 14 ARG HB3 1 17 CYS HB2 . . 4.350 2.182 1.989 2.622 . 0 0 "[ . 1 . 2]" 2
288 1 17 CYS HB2 1 19 ALA MB . . 5.500 4.602 4.376 4.799 . 0 0 "[ . 1 . 2]" 2
289 1 34 TRP HB3 1 35 ALA H . . 4.700 4.387 4.169 4.504 . 0 0 "[ . 1 . 2]" 2
290 1 9 PRO HB3 1 11 LEU MD2 . . 4.240 4.077 3.891 4.227 . 0 0 "[ . 1 . 2]" 2
291 1 9 PRO HB2 1 11 LEU MD2 . . 3.860 2.677 2.482 2.909 . 0 0 "[ . 1 . 2]" 2
292 1 27 VAL HA 1 34 TRP HB2 . . 4.610 3.274 2.681 3.972 . 0 0 "[ . 1 . 2]" 2
293 1 21 LEU MD1 1 34 TRP HB3 . . 4.930 3.704 3.036 4.399 . 0 0 "[ . 1 . 2]" 2
294 1 9 PRO HA 1 10 VAL H . . 2.940 2.214 2.151 2.398 . 0 0 "[ . 1 . 2]" 2
295 1 27 VAL HA 1 35 ALA H . . 4.270 3.359 2.658 3.984 . 0 0 "[ . 1 . 2]" 2
296 1 27 VAL HA 1 45 PHE QE . . 4.940 4.556 3.854 4.943 0.003 20 0 "[ . 1 . 2]" 2
297 1 27 VAL HA 1 34 TRP HB3 . . 4.090 3.303 2.306 4.093 0.003 15 0 "[ . 1 . 2]" 2
298 1 10 VAL HB 1 21 LEU HB2 . . 4.770 2.269 1.997 3.716 . 0 0 "[ . 1 . 2]" 2
299 1 10 VAL HB 1 21 LEU HB3 . . 4.230 3.336 2.499 4.232 0.002 1 0 "[ . 1 . 2]" 2
300 1 36 CYS HB3 1 41 GLN HB2 . . 5.220 4.915 4.624 5.164 . 0 0 "[ . 1 . 2]" 2
301 1 46 PRO HB3 1 47 PRO HD3 . . 4.080 3.821 3.728 4.078 . 0 0 "[ . 1 . 2]" 2
302 1 41 GLN HB3 1 43 ASN HD22 . . 4.420 2.933 2.648 3.207 . 0 0 "[ . 1 . 2]" 2
303 1 36 CYS HB3 1 41 GLN HB3 . . 4.660 3.950 3.736 4.135 . 0 0 "[ . 1 . 2]" 2
304 1 28 ASP HA 1 29 TYR HA . . 4.810 4.624 4.436 4.736 . 0 0 "[ . 1 . 2]" 2
305 1 29 TYR HA 1 32 LYS H . . 3.940 3.437 2.952 3.705 . 0 0 "[ . 1 . 2]" 2
306 1 29 TYR HA 1 29 TYR QD . . 3.410 2.638 2.066 3.094 . 0 0 "[ . 1 . 2]" 2
307 1 29 TYR HA 1 45 PHE QE . . 4.140 3.395 2.536 4.143 0.003 13 0 "[ . 1 . 2]" 2
308 1 29 TYR HA 1 45 PHE HZ . . 4.010 3.771 3.001 4.012 0.002 19 0 "[ . 1 . 2]" 2
309 1 29 TYR HA 1 32 LYS HA . . 4.700 3.023 2.647 3.244 . 0 0 "[ . 1 . 2]" 2
310 1 41 GLN HB2 1 43 ASN HD22 . . 4.910 4.595 4.279 4.904 . 0 0 "[ . 1 . 2]" 2
311 1 12 CYS H 1 12 CYS HB2 . . 3.840 2.351 2.189 2.572 . 0 0 "[ . 1 . 2]" 2
312 1 12 CYS HB2 1 34 TRP HH2 . . 4.110 2.906 2.315 3.343 . 0 0 "[ . 1 . 2]" 2
313 1 12 CYS HB2 1 18 ARG HA . . 4.910 3.930 2.932 4.673 . 0 0 "[ . 1 . 2]" 2
314 1 12 CYS H 1 12 CYS HB3 . . 3.840 2.757 2.503 3.048 . 0 0 "[ . 1 . 2]" 2
315 1 12 CYS HB3 1 18 ARG H . . 4.510 2.515 2.000 2.901 . 0 0 "[ . 1 . 2]" 2
316 1 12 CYS HB3 1 34 TRP HH2 . . 4.560 4.172 3.631 4.572 0.012 19 0 "[ . 1 . 2]" 2
317 1 12 CYS HB3 1 19 ALA MB . . 4.870 3.619 2.916 4.125 . 0 0 "[ . 1 . 2]" 2
318 1 20 VAL HA 1 21 LEU HB3 . . 5.300 4.845 4.469 5.171 . 0 0 "[ . 1 . 2]" 2
319 1 16 THR HA 1 16 THR HB . . 2.960 2.494 2.387 2.982 0.022 12 0 "[ . 1 . 2]" 2
320 1 15 THR MG 1 16 THR HA . . 5.500 4.397 3.081 5.480 . 0 0 "[ . 1 . 2]" 2
321 1 16 THR HA 1 16 THR MG . . 2.950 2.351 2.213 2.438 . 0 0 "[ . 1 . 2]" 2
322 1 33 LEU MD2 1 42 ARG HB2 . . 4.400 4.227 3.815 4.402 0.002 19 0 "[ . 1 . 2]" 2
323 1 33 LEU MD2 1 42 ARG HB3 . . 4.090 2.752 2.265 2.957 . 0 0 "[ . 1 . 2]" 2
324 1 42 ARG HB2 1 42 ARG HD3 . . 4.120 3.252 2.164 3.887 . 0 0 "[ . 1 . 2]" 2
325 1 33 LEU HB3 1 42 ARG HB3 . . 4.690 4.166 3.505 4.671 . 0 0 "[ . 1 . 2]" 2
326 1 12 CYS HA 1 34 TRP HH2 . . 4.110 2.081 1.995 2.506 . 0 0 "[ . 1 . 2]" 2
327 1 12 CYS HA 1 34 TRP HZ2 . . 4.110 2.836 2.051 3.792 . 0 0 "[ . 1 . 2]" 2
328 1 12 CYS HA 1 43 ASN HD22 . . 4.390 4.178 3.321 4.388 . 0 0 "[ . 1 . 2]" 2
329 1 12 CYS HA 1 43 ASN HB3 . . 5.410 5.207 4.289 5.415 0.005 12 0 "[ . 1 . 2]" 2
330 1 30 ARG QB 1 32 LYS H . . 4.710 4.288 4.184 4.638 . 0 0 "[ . 1 . 2]" 2
331 1 52 ILE HA 1 52 ILE HG12 . . 3.910 2.892 2.470 3.506 . 0 0 "[ . 1 . 2]" 2
332 1 52 ILE HA 1 52 ILE HG13 . . 3.910 2.949 2.270 3.816 . 0 0 "[ . 1 . 2]" 2
333 1 52 ILE HA 1 52 ILE MG . . 3.250 2.379 2.202 2.463 . 0 0 "[ . 1 . 2]" 2
334 1 52 ILE HA 1 52 ILE MD . . 3.920 3.399 1.991 3.894 . 0 0 "[ . 1 . 2]" 2
335 1 8 GLU HB2 1 9 PRO HD2 . . 4.820 3.203 2.001 4.000 . 0 0 "[ . 1 . 2]" 2
336 1 8 GLU HB2 1 9 PRO HD3 . . 4.820 4.331 3.447 4.829 0.009 15 0 "[ . 1 . 2]" 2
337 1 8 GLU HB3 1 9 PRO HD3 . . 4.820 4.232 3.445 4.891 0.071 16 0 "[ . 1 . 2]" 2
338 1 38 PHE HA 1 38 PHE QD . . 3.540 2.558 2.230 2.888 . 0 0 "[ . 1 . 2]" 2
339 1 52 ILE MG 1 54 GLU HB2 . . 4.700 2.499 1.875 3.572 . 0 0 "[ . 1 . 2]" 2
340 1 25 CYS HA 1 25 CYS HG . . 4.300 3.286 2.390 4.125 . 0 0 "[ . 1 . 2]" 2
341 1 25 CYS HA 1 37 ASN HB3 . . 3.670 2.293 2.002 2.633 . 0 0 "[ . 1 . 2]" 2
342 1 26 GLN HB3 1 27 VAL H . . 4.800 3.975 3.760 4.609 . 0 0 "[ . 1 . 2]" 2
343 1 13 SER HA 1 13 SER QB . . 2.790 2.363 2.190 2.476 . 0 0 "[ . 1 . 2]" 2
344 1 12 CYS HA 1 13 SER HA . . 4.980 4.314 4.299 4.351 . 0 0 "[ . 1 . 2]" 2
345 1 36 CYS H 1 40 TYR HA . . 4.720 3.471 3.269 3.742 . 0 0 "[ . 1 . 2]" 2
346 1 40 TYR HA 1 40 TYR QD . . 3.790 2.343 2.125 2.514 . 0 0 "[ . 1 . 2]" 2
347 1 35 ALA HA 1 40 TYR HA . . 5.220 4.981 4.782 5.152 . 0 0 "[ . 1 . 2]" 2
348 1 35 ALA MB 1 40 TYR HA . . 4.050 3.705 3.521 3.945 . 0 0 "[ . 1 . 2]" 2
349 1 32 LYS HB2 1 45 PHE HB2 . . 5.500 4.987 4.240 5.497 . 0 0 "[ . 1 . 2]" 2
350 1 25 CYS QB 1 34 TRP HE3 . . 3.520 2.914 2.461 3.308 . 0 0 "[ . 1 . 2]" 2
351 1 42 ARG H 1 42 ARG HG2 . . 4.220 3.895 3.061 4.220 0.000 1 0 "[ . 1 . 2]" 2
352 1 35 ALA MB 1 42 ARG HG2 . . 4.690 2.588 1.976 3.126 . 0 0 "[ . 1 . 2]" 2
353 1 33 LEU MD2 1 42 ARG HG2 . . 5.070 3.861 3.318 4.774 . 0 0 "[ . 1 . 2]" 2
354 1 42 ARG H 1 42 ARG HG3 . . 4.540 2.904 2.628 3.736 . 0 0 "[ . 1 . 2]" 2
355 1 42 ARG HA 1 42 ARG HG3 . . 3.990 2.827 2.389 3.617 . 0 0 "[ . 1 . 2]" 2
356 1 35 ALA MB 1 42 ARG HG3 . . 4.300 2.865 1.981 3.435 . 0 0 "[ . 1 . 2]" 2
357 1 33 LEU MD1 1 42 ARG HG3 . . 5.500 5.292 3.720 5.505 0.005 13 0 "[ . 1 . 2]" 2
358 1 33 LEU MD2 1 42 ARG HG3 . . 5.500 4.947 4.471 5.274 . 0 0 "[ . 1 . 2]" 2
359 1 30 ARG HA 1 32 LYS H . . 4.750 3.898 3.786 4.172 . 0 0 "[ . 1 . 2]" 2
360 1 30 ARG HA 1 30 ARG HG2 . . 3.880 2.680 2.199 3.626 . 0 0 "[ . 1 . 2]" 2
361 1 30 ARG HA 1 30 ARG HG3 . . 3.880 2.975 2.180 3.881 0.001 2 0 "[ . 1 . 2]" 2
362 1 49 TYR HA 1 49 TYR QD . . 3.750 3.715 3.674 3.738 . 0 0 "[ . 1 . 2]" 2
363 1 49 TYR HA 1 52 ILE HB . . 4.480 4.089 3.384 4.454 . 0 0 "[ . 1 . 2]" 2
364 1 49 TYR HA 1 52 ILE HG12 . . 4.920 3.907 2.002 4.907 . 0 0 "[ . 1 . 2]" 2
365 1 10 VAL MG2 1 46 PRO HG2 . . 4.880 3.374 2.930 4.877 . 0 0 "[ . 1 . 2]" 2
366 1 10 VAL MG2 1 46 PRO HG3 . . 4.880 2.105 1.862 3.492 . 0 0 "[ . 1 . 2]" 2
367 1 49 TYR HA 1 50 ALA MB . . 5.150 4.667 4.465 4.987 . 0 0 "[ . 1 . 2]" 2
368 1 49 TYR HA 1 52 ILE HG13 . . 4.920 3.389 2.293 4.779 . 0 0 "[ . 1 . 2]" 2
369 1 54 GLU HA 1 54 GLU HG2 . . 3.960 2.913 2.355 3.714 . 0 0 "[ . 1 . 2]" 2
370 1 9 PRO QG 1 11 LEU MD2 . . 4.210 2.646 1.899 3.533 . 0 0 "[ . 1 . 2]" 2
371 1 8 GLU HA 1 9 PRO QG . . 4.410 3.939 3.841 4.050 . 0 0 "[ . 1 . 2]" 2
372 1 14 ARG HA 1 14 ARG HG2 . . 3.900 3.018 2.647 3.730 . 0 0 "[ . 1 . 2]" 2
373 1 14 ARG HA 1 14 ARG HG3 . . 3.900 2.385 2.186 2.640 . 0 0 "[ . 1 . 2]" 2
374 1 55 LEU H 1 55 LEU HG . . 4.690 3.196 2.438 4.133 . 0 0 "[ . 1 . 2]" 2
375 1 21 LEU MD2 1 45 PHE HZ . . 5.500 4.917 4.206 5.498 . 0 0 "[ . 1 . 2]" 2
376 1 21 LEU HA 1 21 LEU MD2 . . 4.640 3.892 3.821 3.994 . 0 0 "[ . 1 . 2]" 2
377 1 21 LEU MD2 1 54 GLU HG2 . . 5.500 4.353 2.607 5.488 . 0 0 "[ . 1 . 2]" 2
378 1 21 LEU MD2 1 54 GLU HG3 . . 5.500 3.938 2.485 5.434 . 0 0 "[ . 1 . 2]" 2
379 1 21 LEU MD2 1 55 LEU HG . . 4.050 3.162 1.847 4.054 0.004 20 0 "[ . 1 . 2]" 2
380 1 41 GLN HA 1 42 ARG H . . 2.790 2.153 2.140 2.196 . 0 0 "[ . 1 . 2]" 2
381 1 41 GLN HA 1 42 ARG HA . . 4.840 4.365 4.341 4.376 . 0 0 "[ . 1 . 2]" 2
382 1 41 GLN HA 1 41 GLN HG3 . . 3.780 3.186 3.063 3.282 . 0 0 "[ . 1 . 2]" 2
383 1 21 LEU H 1 21 LEU MD2 . . 4.650 4.231 4.102 4.297 . 0 0 "[ . 1 . 2]" 2
384 1 21 LEU MD2 1 22 ASN H . . 4.710 4.521 4.098 4.710 0.000 18 0 "[ . 1 . 2]" 2
385 1 21 LEU MD2 1 45 PHE QE . . 4.260 3.808 2.874 4.263 0.003 13 0 "[ . 1 . 2]" 2
386 1 10 VAL HB 1 21 LEU MD2 . . 3.910 3.205 2.592 3.910 . 0 0 "[ . 1 . 2]" 2
387 1 21 LEU MD2 1 54 GLU HB2 . . 4.520 3.225 2.063 4.466 . 0 0 "[ . 1 . 2]" 2
388 1 21 LEU MD2 1 54 GLU HB3 . . 4.520 2.979 2.031 3.635 . 0 0 "[ . 1 . 2]" 2
389 1 21 LEU HB3 1 21 LEU MD2 . . 3.660 2.208 2.025 2.389 . 0 0 "[ . 1 . 2]" 2
390 1 33 LEU H 1 33 LEU HG . . 4.710 3.698 3.407 3.859 . 0 0 "[ . 1 . 2]" 2
391 1 33 LEU H 1 33 LEU MD1 . . 4.240 4.164 3.822 4.254 0.014 20 0 "[ . 1 . 2]" 2
392 1 33 LEU HA 1 33 LEU MD1 . . 4.390 3.823 3.810 3.844 . 0 0 "[ . 1 . 2]" 2
393 1 33 LEU MD1 1 42 ARG HD3 . . 5.500 4.086 2.796 5.327 . 0 0 "[ . 1 . 2]" 2
394 1 33 LEU MD1 1 44 GLN QG . . 4.630 3.899 3.354 4.454 . 0 0 "[ . 1 . 2]" 2
395 1 33 LEU MD1 1 42 ARG HB2 . . 5.210 4.958 4.259 5.223 0.013 12 0 "[ . 1 . 2]" 2
396 1 33 LEU MD1 1 42 ARG HG2 . . 4.700 4.230 3.809 4.685 . 0 0 "[ . 1 . 2]" 2
397 1 33 LEU HB3 1 33 LEU MD1 . . 3.330 2.514 2.348 2.626 . 0 0 "[ . 1 . 2]" 2
398 1 12 CYS HB3 1 18 ARG HA . . 3.770 2.850 2.121 3.725 . 0 0 "[ . 1 . 2]" 2
399 1 18 ARG HA 1 18 ARG HD2 . . 3.980 2.688 2.000 3.997 0.017 18 0 "[ . 1 . 2]" 2
400 1 18 ARG HA 1 18 ARG HG2 . . 3.880 2.842 2.721 3.205 . 0 0 "[ . 1 . 2]" 2
401 1 11 LEU HB3 1 18 ARG HA . . 4.220 3.261 2.757 4.121 . 0 0 "[ . 1 . 2]" 2
402 1 12 CYS H 1 18 ARG HA . . 4.900 3.099 2.409 3.851 . 0 0 "[ . 1 . 2]" 2
403 1 9 PRO HB2 1 11 LEU MD1 . . 4.730 4.314 3.631 4.729 . 0 0 "[ . 1 . 2]" 2
404 1 24 LEU HA 1 24 LEU MD1 . . 4.220 3.748 2.523 3.952 . 0 0 "[ . 1 . 2]" 2
405 1 21 LEU MD2 1 55 LEU MD1 . . 4.760 2.631 1.699 3.911 . 0 0 "[ . 1 . 2]" 2
406 1 35 ALA HA 1 42 ARG HA . . 3.220 2.336 2.032 2.619 . 0 0 "[ . 1 . 2]" 2
407 1 42 ARG HA 1 43 ASN HD21 . . 4.720 4.269 3.807 4.642 . 0 0 "[ . 1 . 2]" 2
408 1 42 ARG HA 1 42 ARG HD2 . . 5.070 4.410 3.821 4.768 . 0 0 "[ . 1 . 2]" 2
409 1 42 ARG HA 1 42 ARG HG2 . . 3.800 2.497 2.209 2.802 . 0 0 "[ . 1 . 2]" 2
410 1 33 LEU MD2 1 42 ARG HA . . 4.700 3.969 3.706 4.397 . 0 0 "[ . 1 . 2]" 2
411 1 26 GLN HA 1 26 GLN HG3 . . 4.100 3.336 2.359 3.771 . 0 0 "[ . 1 . 2]" 2
412 1 37 ASN HA 1 40 TYR QE . . 4.730 3.792 2.998 4.731 0.001 1 0 "[ . 1 . 2]" 2
413 1 33 LEU HB3 1 33 LEU MD2 . . 3.410 2.190 2.060 2.350 . 0 0 "[ . 1 . 2]" 2
414 1 37 ASN HA 1 40 TYR H . . 4.850 4.436 4.395 4.487 . 0 0 "[ . 1 . 2]" 2
415 1 24 LEU HA 1 24 LEU HG . . 3.660 2.773 2.299 3.703 0.043 2 0 "[ . 1 . 2]" 2
416 1 24 LEU HA 1 24 LEU MD2 . . 4.220 2.485 2.082 3.544 . 0 0 "[ . 1 . 2]" 2
417 1 11 LEU HA 1 11 LEU MD2 . . 3.510 2.248 1.986 2.764 . 0 0 "[ . 1 . 2]" 2
418 1 11 LEU MD2 1 20 VAL HA . . 3.570 3.173 2.464 3.567 . 0 0 "[ . 1 . 2]" 2
419 1 11 LEU MD2 1 20 VAL HB . . 4.860 4.195 2.647 4.863 0.003 20 0 "[ . 1 . 2]" 2
420 1 29 TYR QE 1 55 LEU HA . . 4.360 3.803 2.004 4.368 0.008 20 0 "[ . 1 . 2]" 2
421 1 55 LEU HA 1 55 LEU HG . . 3.910 3.066 2.293 3.739 . 0 0 "[ . 1 . 2]" 2
422 1 52 ILE MG 1 55 LEU HA . . 4.490 4.188 3.814 4.489 . 0 0 "[ . 1 . 2]" 2
423 1 55 LEU HA 1 55 LEU MD1 . . 4.040 3.234 2.043 3.956 . 0 0 "[ . 1 . 2]" 2
424 1 55 LEU HA 1 55 LEU MD2 . . 4.040 2.526 2.060 3.789 . 0 0 "[ . 1 . 2]" 2
425 1 8 GLU HA 1 9 PRO HD2 . . 2.940 2.293 2.119 2.478 . 0 0 "[ . 1 . 2]" 2
426 1 8 GLU HA 1 9 PRO HD3 . . 2.940 2.275 2.250 2.330 . 0 0 "[ . 1 . 2]" 2
427 1 8 GLU HA 1 8 GLU QG . . 3.650 2.729 2.155 3.452 . 0 0 "[ . 1 . 2]" 2
428 1 45 PHE QE 1 55 LEU MD2 . . 4.630 2.480 1.789 4.253 . 0 0 "[ . 1 . 2]" 2
429 1 21 LEU MD2 1 55 LEU MD2 . . 4.760 2.485 1.780 4.405 . 0 0 "[ . 1 . 2]" 2
430 1 49 TYR QD 1 50 ALA HA . . 4.640 4.079 3.093 4.590 . 0 0 "[ . 1 . 2]" 2
431 1 10 VAL MG1 1 21 LEU HB2 . . 5.500 3.154 2.358 4.504 . 0 0 "[ . 1 . 2]" 2
432 1 24 LEU H 1 24 LEU MD2 . . 4.490 3.915 1.879 4.237 . 0 0 "[ . 1 . 2]" 2
433 1 10 VAL HA 1 10 VAL MG1 . . 3.580 2.371 2.168 2.476 . 0 0 "[ . 1 . 2]" 2
434 1 10 VAL MG1 1 46 PRO HG2 . . 4.880 4.286 3.215 4.653 . 0 0 "[ . 1 . 2]" 2
435 1 10 VAL MG1 1 46 PRO HG3 . . 4.880 2.867 1.795 3.289 . 0 0 "[ . 1 . 2]" 2
436 1 10 VAL MG1 1 21 LEU MD2 . . 3.930 3.559 2.976 3.930 0.000 14 0 "[ . 1 . 2]" 2
437 1 19 ALA HA 1 20 VAL H . . 3.010 2.203 2.143 2.523 . 0 0 "[ . 1 . 2]" 2
438 1 19 ALA HA 1 20 VAL HB . . 5.500 4.841 4.558 5.648 0.148 20 0 "[ . 1 . 2]" 2
439 1 15 THR H 1 15 THR MG . . 4.050 2.198 1.867 3.071 . 0 0 "[ . 1 . 2]" 2
440 1 14 ARG HA 1 15 THR MG . . 4.190 3.701 3.487 4.164 . 0 0 "[ . 1 . 2]" 2
441 1 15 THR HA 1 15 THR MG . . 3.270 2.770 2.186 3.206 . 0 0 "[ . 1 . 2]" 2
442 1 16 THR H 1 16 THR MG . . 3.820 2.358 2.028 3.771 . 0 0 "[ . 1 . 2]" 2
443 1 19 ALA MB 1 20 VAL H . . 3.800 3.147 2.282 3.514 . 0 0 "[ . 1 . 2]" 2
444 1 19 ALA MB 1 38 PHE HZ . . 5.340 4.965 4.491 5.324 . 0 0 "[ . 1 . 2]" 2
445 1 27 VAL MG1 1 45 PHE QE . . 4.320 3.511 2.556 4.344 0.024 19 0 "[ . 1 . 2]" 2
446 1 27 VAL MG1 1 45 PHE HZ . . 4.440 2.689 1.798 3.953 . 0 0 "[ . 1 . 2]" 2
447 1 27 VAL HA 1 27 VAL MG1 . . 3.290 2.748 2.310 3.203 . 0 0 "[ . 1 . 2]" 2
448 1 27 VAL MG1 1 34 TRP HB3 . . 4.140 3.489 2.666 4.178 0.038 19 0 "[ . 1 . 2]" 2
449 1 19 ALA MB 1 38 PHE QD . . 3.720 2.475 2.072 2.999 . 0 0 "[ . 1 . 2]" 2
450 1 19 ALA MB 1 38 PHE HB2 . . 4.360 3.477 2.754 3.768 . 0 0 "[ . 1 . 2]" 2
451 1 19 ALA MB 1 38 PHE QE . . 4.410 3.078 2.561 3.640 . 0 0 "[ . 1 . 2]" 2
452 1 12 CYS HB2 1 19 ALA MB . . 4.510 2.869 1.986 3.473 . 0 0 "[ . 1 . 2]" 2
453 1 27 VAL MG1 1 34 TRP HB2 . . 4.270 3.816 3.240 4.207 . 0 0 "[ . 1 . 2]" 2
454 1 9 PRO HB2 1 20 VAL MG2 . . 4.640 3.224 1.904 4.448 . 0 0 "[ . 1 . 2]" 2
455 1 21 LEU MD1 1 34 TRP HE3 . . 4.480 2.981 2.270 3.832 . 0 0 "[ . 1 . 2]" 2
456 1 20 VAL MG2 1 21 LEU H . . 4.520 3.423 1.983 4.319 . 0 0 "[ . 1 . 2]" 2
457 1 20 VAL H 1 20 VAL MG2 . . 4.210 2.608 1.864 3.770 . 0 0 "[ . 1 . 2]" 2
458 1 9 PRO HB3 1 20 VAL MG2 . . 4.650 3.825 2.218 4.651 0.001 14 0 "[ . 1 . 2]" 2
459 1 21 LEU HA 1 21 LEU MD1 . . 3.730 2.178 1.971 2.579 . 0 0 "[ . 1 . 2]" 2
460 1 21 LEU MD1 1 25 CYS QB . . 3.860 3.208 2.364 3.815 . 0 0 "[ . 1 . 2]" 2
461 1 21 LEU MD1 1 34 TRP HB2 . . 4.460 3.125 2.716 3.924 . 0 0 "[ . 1 . 2]" 2
462 1 21 LEU MD1 1 27 VAL MG1 . . 5.170 4.008 3.042 4.726 . 0 0 "[ . 1 . 2]" 2
463 1 20 VAL MG1 1 21 LEU H . . 4.520 2.902 1.887 4.030 . 0 0 "[ . 1 . 2]" 2
464 1 20 VAL H 1 20 VAL MG1 . . 4.210 3.154 2.080 3.833 . 0 0 "[ . 1 . 2]" 2
465 1 9 PRO HB3 1 20 VAL MG1 . . 4.650 3.833 2.513 4.652 0.002 18 0 "[ . 1 . 2]" 2
466 1 9 PRO HB2 1 20 VAL MG1 . . 4.640 3.326 1.876 4.638 . 0 0 "[ . 1 . 2]" 2
467 1 21 LEU MD1 1 27 VAL MG2 . . 5.170 3.351 2.314 4.377 . 0 0 "[ . 1 . 2]" 2
468 1 10 VAL HA 1 10 VAL MG2 . . 3.580 2.432 2.284 3.199 . 0 0 "[ . 1 . 2]" 2
469 1 10 VAL MG2 1 21 LEU MD2 . . 3.930 2.641 1.976 3.348 . 0 0 "[ . 1 . 2]" 2
470 1 27 VAL MG2 1 45 PHE QE . . 4.320 3.131 1.897 4.285 . 0 0 "[ . 1 . 2]" 2
471 1 27 VAL MG2 1 29 TYR QE . . 4.490 3.341 2.223 4.387 . 0 0 "[ . 1 . 2]" 2
472 1 27 VAL MG2 1 34 TRP HA . . 4.350 3.340 2.144 4.150 . 0 0 "[ . 1 . 2]" 2
473 1 27 VAL HA 1 27 VAL MG2 . . 3.290 2.366 2.269 2.584 . 0 0 "[ . 1 . 2]" 2
474 1 27 VAL MG2 1 34 TRP HB2 . . 4.270 2.965 2.207 3.782 . 0 0 "[ . 1 . 2]" 2
475 1 27 VAL MG2 1 34 TRP HB3 . . 4.140 2.837 2.055 3.616 . 0 0 "[ . 1 . 2]" 2
476 1 23 PRO HD2 1 24 LEU H . . 4.780 2.935 2.651 3.051 . 0 0 "[ . 1 . 2]" 2
477 1 22 ASN HB2 1 23 PRO HD2 . . 3.570 2.012 1.995 2.095 . 0 0 "[ . 1 . 2]" 2
478 1 22 ASN HB3 1 23 PRO HD2 . . 4.070 2.931 2.723 3.064 . 0 0 "[ . 1 . 2]" 2
479 1 22 ASN HB2 1 23 PRO HD3 . . 3.570 3.461 3.443 3.528 . 0 0 "[ . 1 . 2]" 2
480 1 35 ALA H 1 35 ALA MB . . 3.160 2.215 2.076 2.363 . 0 0 "[ . 1 . 2]" 2
481 1 35 ALA MB 1 40 TYR QD . . 4.470 3.608 3.310 4.012 . 0 0 "[ . 1 . 2]" 2
482 1 34 TRP HA 1 35 ALA MB . . 4.320 3.982 3.941 4.023 . 0 0 "[ . 1 . 2]" 2
483 1 35 ALA MB 1 42 ARG HA . . 3.760 3.047 2.663 3.528 . 0 0 "[ . 1 . 2]" 2
484 1 26 GLN HG2 1 35 ALA MB . . 5.090 4.547 2.461 5.097 0.007 15 0 "[ . 1 . 2]" 2
485 1 26 GLN HG3 1 35 ALA MB . . 5.090 4.234 3.558 5.093 0.003 20 0 "[ . 1 . 2]" 2
486 1 26 GLN HB2 1 35 ALA MB . . 3.660 2.535 2.116 3.701 0.041 19 0 "[ . 1 . 2]" 2
487 1 26 GLN HB3 1 35 ALA MB . . 3.660 3.500 2.127 3.680 0.020 12 0 "[ . 1 . 2]" 2
488 1 8 GLU HB3 1 9 PRO HD2 . . 4.820 3.108 2.000 3.953 . 0 0 "[ . 1 . 2]" 2
489 1 57 GLN HA 1 58 PRO HD2 . . 3.390 2.209 1.929 2.417 . 0 0 "[ . 1 . 2]" 2
490 1 57 GLN QG 1 58 PRO HD2 . . 4.830 3.158 1.834 4.071 . 0 0 "[ . 1 . 2]" 2
491 1 57 GLN HA 1 58 PRO HD3 . . 3.390 2.321 2.252 2.775 . 0 0 "[ . 1 . 2]" 2
492 1 57 GLN QG 1 58 PRO HD3 . . 4.830 4.193 3.210 4.876 0.046 3 0 "[ . 1 . 2]" 2
493 1 30 ARG QB 1 31 ALA MB . . 4.360 3.449 3.368 3.866 . 0 0 "[ . 1 . 2]" 2
494 1 46 PRO HB2 1 47 PRO HD2 . . 4.080 2.162 1.998 2.610 . 0 0 "[ . 1 . 2]" 2
495 1 46 PRO HB3 1 47 PRO HD2 . . 4.080 2.769 2.688 3.006 . 0 0 "[ . 1 . 2]" 2
496 1 46 PRO HA 1 47 PRO HD3 . . 3.090 2.353 2.277 2.387 . 0 0 "[ . 1 . 2]" 2
497 1 46 PRO HB2 1 47 PRO HD3 . . 4.080 3.585 3.448 3.949 . 0 0 "[ . 1 . 2]" 2
498 1 28 ASP HB3 1 31 ALA MB . . 3.540 2.545 2.056 2.828 . 0 0 "[ . 1 . 2]" 2
499 1 31 ALA MB 1 33 LEU MD1 . . 3.070 2.432 1.910 2.911 . 0 0 "[ . 1 . 2]" 2
500 1 45 PHE QD 1 46 PRO HD3 . . 4.590 3.670 2.816 4.338 . 0 0 "[ . 1 . 2]" 2
501 1 45 PHE HA 1 46 PRO HD3 . . 2.970 2.275 2.256 2.302 . 0 0 "[ . 1 . 2]" 2
502 1 45 PHE HB3 1 46 PRO HD3 . . 4.100 3.743 3.471 3.977 . 0 0 "[ . 1 . 2]" 2
503 1 10 VAL MG1 1 46 PRO HD3 . . 4.500 2.591 2.085 3.133 . 0 0 "[ . 1 . 2]" 2
504 1 10 VAL MG2 1 46 PRO HD3 . . 4.500 3.058 2.017 3.751 . 0 0 "[ . 1 . 2]" 2
505 1 45 PHE QE 1 46 PRO HD2 . . 5.080 4.508 4.085 4.890 . 0 0 "[ . 1 . 2]" 2
506 1 46 PRO HD2 1 49 TYR QD . . 5.370 4.487 3.963 5.000 . 0 0 "[ . 1 . 2]" 2
507 1 10 VAL MG1 1 46 PRO HD2 . . 4.740 3.840 3.407 4.293 . 0 0 "[ . 1 . 2]" 2
508 1 10 VAL MG2 1 46 PRO HD2 . . 4.740 3.574 2.727 4.679 . 0 0 "[ . 1 . 2]" 2
509 1 45 PHE QD 1 46 PRO HD2 . . 4.340 2.437 2.000 3.070 . 0 0 "[ . 1 . 2]" 2
510 1 45 PHE HA 1 46 PRO HD2 . . 3.210 2.324 2.241 2.411 . 0 0 "[ . 1 . 2]" 2
511 1 45 PHE HB3 1 46 PRO HD2 . . 3.550 2.353 2.023 2.654 . 0 0 "[ . 1 . 2]" 2
512 1 50 ALA H 1 50 ALA MB . . 3.630 2.247 2.106 2.344 . 0 0 "[ . 1 . 2]" 2
513 1 48 SER HA 1 50 ALA MB . . 4.850 4.171 3.615 4.657 . 0 0 "[ . 1 . 2]" 2
514 1 52 ILE MG 1 54 GLU H . . 4.460 2.227 1.926 2.824 . 0 0 "[ . 1 . 2]" 2
515 1 52 ILE MG 1 55 LEU H . . 4.210 1.967 1.737 2.360 . 0 0 "[ . 1 . 2]" 2
516 1 49 TYR QD 1 52 ILE MG . . 5.500 5.131 3.136 5.499 . 0 0 "[ . 1 . 2]" 2
517 1 52 ILE MG 1 54 GLU HB3 . . 4.700 3.354 2.351 4.122 . 0 0 "[ . 1 . 2]" 2
518 1 21 LEU MD2 1 52 ILE MG . . 3.660 3.106 1.969 3.661 0.001 19 0 "[ . 1 . 2]" 2
519 1 33 LEU HB2 1 33 LEU MD1 . . 3.420 2.166 2.027 2.334 . 0 0 "[ . 1 . 2]" 2
520 1 28 ASP HB3 1 33 LEU HB3 . . 4.710 4.216 3.400 4.727 0.017 19 0 "[ . 1 . 2]" 2
521 1 45 PHE QD 1 49 TYR QD . . 4.790 4.119 2.945 4.789 . 0 0 "[ . 1 . 2]" 2
522 1 48 SER HA 1 49 TYR QD . . 4.660 3.961 3.533 4.626 . 0 0 "[ . 1 . 2]" 2
523 1 34 TRP HB2 1 45 PHE QE . . 5.220 4.479 3.581 5.219 . 0 0 "[ . 1 . 2]" 2
524 1 22 ASN HD21 1 38 PHE QE . . 5.310 3.747 2.061 5.315 0.005 20 0 "[ . 1 . 2]" 2
525 1 29 TYR QD 1 45 PHE QE . . 4.210 3.949 3.464 4.212 0.002 16 0 "[ . 1 . 2]" 2
526 1 34 TRP HB3 1 45 PHE QE . . 4.410 3.103 2.507 3.773 . 0 0 "[ . 1 . 2]" 2
527 1 32 LYS HB3 1 45 PHE QE . . 5.360 4.228 3.390 4.883 . 0 0 "[ . 1 . 2]" 2
528 1 45 PHE QE 1 55 LEU HG . . 5.500 3.887 2.568 4.934 . 0 0 "[ . 1 . 2]" 2
529 1 45 PHE QE 1 55 LEU MD1 . . 4.630 2.484 1.771 3.621 . 0 0 "[ . 1 . 2]" 2
530 1 22 ASN HD22 1 38 PHE QE . . 5.310 3.209 1.947 3.990 . 0 0 "[ . 1 . 2]" 2
531 1 29 TYR QD 1 45 PHE HZ . . 4.550 3.514 2.465 4.334 . 0 0 "[ . 1 . 2]" 2
532 1 34 TRP HB3 1 45 PHE HZ . . 4.660 3.454 2.221 4.369 . 0 0 "[ . 1 . 2]" 2
533 1 27 VAL MG2 1 45 PHE HZ . . 4.440 2.812 1.805 3.923 . 0 0 "[ . 1 . 2]" 2
534 1 12 CYS H 1 34 TRP HH2 . . 4.690 3.704 2.855 4.082 . 0 0 "[ . 1 . 2]" 2
535 1 34 TRP HB2 1 34 TRP HZ3 . . 5.260 4.905 4.833 4.969 . 0 0 "[ . 1 . 2]" 2
536 1 34 TRP HB2 1 34 TRP HE3 . . 3.820 2.508 2.415 2.589 . 0 0 "[ . 1 . 2]" 2
537 1 27 VAL HB 1 29 TYR QE . . 4.550 3.992 2.892 4.575 0.025 12 0 "[ . 1 . 2]" 2
538 1 27 VAL MG1 1 29 TYR QE . . 4.490 2.374 1.972 2.894 . 0 0 "[ . 1 . 2]" 2
539 1 34 TRP HA 1 35 ALA H . . 3.070 2.149 2.140 2.175 . 0 0 "[ . 1 . 2]" 2
540 1 34 TRP HA 1 34 TRP HE3 . . 4.990 4.289 4.124 4.571 . 0 0 "[ . 1 . 2]" 2
541 1 34 TRP HA 1 45 PHE QE . . 5.500 4.525 3.567 5.153 . 0 0 "[ . 1 . 2]" 2
542 1 27 VAL HA 1 34 TRP HA . . 3.160 2.120 1.945 2.623 . 0 0 "[ . 1 . 2]" 2
543 1 27 VAL MG1 1 34 TRP HA . . 4.350 3.917 3.381 4.415 0.065 9 0 "[ . 1 . 2]" 2
544 1 33 LEU MD2 1 34 TRP HA . . 5.230 5.040 4.831 5.226 . 0 0 "[ . 1 . 2]" 2
545 1 11 LEU HA 1 20 VAL HA . . 3.730 2.901 2.320 3.341 . 0 0 "[ . 1 . 2]" 2
546 1 33 LEU HA 1 34 TRP H . . 3.070 2.240 2.143 2.497 . 0 0 "[ . 1 . 2]" 2
547 1 33 LEU HA 1 45 PHE QE . . 5.000 3.776 3.002 4.544 . 0 0 "[ . 1 . 2]" 2
548 1 33 LEU HA 1 45 PHE QD . . 4.300 3.501 2.827 4.286 . 0 0 "[ . 1 . 2]" 2
549 1 33 LEU HA 1 44 GLN HA . . 3.470 2.924 2.600 3.301 . 0 0 "[ . 1 . 2]" 2
550 1 33 LEU HA 1 33 LEU MD2 . . 3.210 2.275 1.976 2.492 . 0 0 "[ . 1 . 2]" 2
551 1 21 LEU HG 1 22 ASN HA . . 4.870 4.036 3.344 4.569 . 0 0 "[ . 1 . 2]" 2
552 1 22 ASN HA 1 23 PRO HD2 . . 3.700 2.463 2.431 2.521 . 0 0 "[ . 1 . 2]" 2
553 1 22 ASN HA 1 23 PRO HD3 . . 3.700 2.326 2.312 2.354 . 0 0 "[ . 1 . 2]" 2
554 1 22 ASN HA 1 23 PRO HG2 . . 4.810 4.564 4.538 4.612 . 0 0 "[ . 1 . 2]" 2
555 1 22 ASN HA 1 23 PRO HG3 . . 4.810 4.511 4.491 4.550 . 0 0 "[ . 1 . 2]" 2
556 1 35 ALA HA 1 36 CYS HB2 . . 4.690 4.287 4.247 4.348 . 0 0 "[ . 1 . 2]" 2
557 1 35 ALA HA 1 42 ARG HG3 . . 4.550 4.008 3.389 4.558 0.008 18 0 "[ . 1 . 2]" 2
558 1 34 TRP HE3 1 35 ALA H . . 5.150 4.261 3.640 4.877 . 0 0 "[ . 1 . 2]" 2
559 1 26 GLN H 1 34 TRP HE3 . . 5.500 5.048 4.431 5.510 0.010 20 0 "[ . 1 . 2]" 2
560 1 44 GLN HA 1 45 PHE H . . 2.870 2.262 2.160 2.320 . 0 0 "[ . 1 . 2]" 2
561 1 44 GLN HA 1 45 PHE QD . . 4.980 3.921 3.133 4.811 . 0 0 "[ . 1 . 2]" 2
562 1 33 LEU MD2 1 44 GLN HA . . 3.280 2.315 1.979 2.699 . 0 0 "[ . 1 . 2]" 2
563 1 45 PHE HA 1 45 PHE QD . . 3.530 2.767 2.201 3.097 . 0 0 "[ . 1 . 2]" 2
564 1 46 PRO HA 1 47 PRO HD2 . . 3.090 2.498 2.301 2.572 . 0 0 "[ . 1 . 2]" 2
565 1 45 PHE HA 1 46 PRO HA . . 4.520 4.395 4.389 4.401 . 0 0 "[ . 1 . 2]" 2
566 1 52 ILE MG 1 55 LEU HG . . 3.860 3.139 2.141 3.876 0.016 4 0 "[ . 1 . 2]" 2
567 1 37 ASN HA 1 40 TYR QD . . 4.960 3.753 3.208 4.243 . 0 0 "[ . 1 . 2]" 2
568 1 8 GLU H 1 8 GLU QB . . 3.300 2.498 2.196 3.021 . 0 0 "[ . 1 . 2]" 2
569 1 8 GLU HA 1 9 PRO QD . . 2.520 2.032 1.942 2.135 . 0 0 "[ . 1 . 2]" 2
570 1 8 GLU QB 1 9 PRO QD . . 3.420 2.464 1.969 3.326 . 0 0 "[ . 1 . 2]" 2
571 1 8 GLU QG 1 9 PRO QD . . 4.410 2.929 1.805 4.018 . 0 0 "[ . 1 . 2]" 2
572 1 9 PRO HA 1 10 VAL QG . . 4.070 3.538 3.348 3.686 . 0 0 "[ . 1 . 2]" 2
573 1 9 PRO HB3 1 20 VAL QG . . 4.040 3.107 2.213 4.029 . 0 0 "[ . 1 . 2]" 2
574 1 10 VAL H 1 10 VAL QG . . 3.570 2.225 1.822 2.522 . 0 0 "[ . 1 . 2]" 2
575 1 10 VAL H 1 20 VAL QG . . 5.240 3.653 2.364 4.586 . 0 0 "[ . 1 . 2]" 2
576 1 10 VAL HA 1 10 VAL QG . . 3.110 2.124 2.046 2.168 . 0 0 "[ . 1 . 2]" 2
577 1 10 VAL QG 1 11 LEU H . . 3.750 3.156 2.960 3.552 . 0 0 "[ . 1 . 2]" 2
578 1 10 VAL QG 1 11 LEU HA . . 5.090 4.017 3.723 4.159 . 0 0 "[ . 1 . 2]" 2
579 1 10 VAL QG 1 21 LEU H . . 4.430 3.623 2.536 4.269 . 0 0 "[ . 1 . 2]" 2
580 1 10 VAL QG 1 21 LEU HB2 . . 4.260 2.750 2.215 3.115 . 0 0 "[ . 1 . 2]" 2
581 1 10 VAL QG 1 21 LEU MD2 . . 3.350 2.543 1.966 3.064 . 0 0 "[ . 1 . 2]" 2
582 1 10 VAL QG 1 34 TRP HE1 . . 3.840 3.459 2.735 3.831 . 0 0 "[ . 1 . 2]" 2
583 1 10 VAL QG 1 34 TRP HZ2 . . 3.460 3.007 2.354 3.462 0.002 18 0 "[ . 1 . 2]" 2
584 1 10 VAL QG 1 45 PHE QE . . 5.440 4.659 3.532 5.444 0.004 12 0 "[ . 1 . 2]" 2
585 1 10 VAL QG 1 46 PRO QB . . 4.560 3.034 2.114 3.586 . 0 0 "[ . 1 . 2]" 2
586 1 10 VAL QG 1 46 PRO QG . . 3.370 1.959 1.780 2.288 . 0 0 "[ . 1 . 2]" 2
587 1 10 VAL QG 1 46 PRO HD2 . . 4.100 3.251 2.652 3.689 . 0 0 "[ . 1 . 2]" 2
588 1 10 VAL QG 1 46 PRO HD3 . . 3.700 2.430 1.864 2.918 . 0 0 "[ . 1 . 2]" 2
589 1 10 VAL QG 1 49 TYR HA . . 4.840 4.258 3.615 4.836 . 0 0 "[ . 1 . 2]" 2
590 1 10 VAL QG 1 49 TYR QD . . 5.440 5.268 4.849 5.441 0.001 12 0 "[ . 1 . 2]" 2
591 1 11 LEU MD1 1 18 ARG QB . . 4.120 3.412 2.005 4.096 . 0 0 "[ . 1 . 2]" 2
592 1 11 LEU MD2 1 20 VAL QG . . 3.340 2.511 1.874 3.345 0.005 19 0 "[ . 1 . 2]" 2
593 1 14 ARG H 1 14 ARG QB . . 2.890 2.158 2.113 2.249 . 0 0 "[ . 1 . 2]" 2
594 1 14 ARG H 1 14 ARG QG . . 4.870 3.869 3.767 4.046 . 0 0 "[ . 1 . 2]" 2
595 1 14 ARG HA 1 14 ARG QG . . 3.370 2.282 2.150 2.558 . 0 0 "[ . 1 . 2]" 2
596 1 14 ARG QB 1 14 ARG QD . . 3.270 2.155 2.042 2.370 . 0 0 "[ . 1 . 2]" 2
597 1 14 ARG QB 1 17 CYS H . . 4.010 2.452 2.135 3.528 . 0 0 "[ . 1 . 2]" 2
598 1 14 ARG QB 1 17 CYS HB2 . . 3.510 2.158 1.961 2.589 . 0 0 "[ . 1 . 2]" 2
599 1 14 ARG QB 1 17 CYS HB3 . . 3.470 2.094 1.980 2.517 . 0 0 "[ . 1 . 2]" 2
600 1 14 ARG QG 1 16 THR H . . 3.740 2.368 1.945 2.992 . 0 0 "[ . 1 . 2]" 2
601 1 14 ARG QG 1 17 CYS H . . 3.720 2.526 1.913 2.927 . 0 0 "[ . 1 . 2]" 2
602 1 14 ARG QG 1 17 CYS HB2 . . 4.770 3.274 1.972 3.899 . 0 0 "[ . 1 . 2]" 2
603 1 14 ARG QG 1 17 CYS HB3 . . 4.450 3.884 3.241 4.360 . 0 0 "[ . 1 . 2]" 2
604 1 14 ARG QD 1 17 CYS HB2 . . 3.720 2.596 1.960 3.677 . 0 0 "[ . 1 . 2]" 2
605 1 14 ARG QD 1 39 CYS HB3 . . 4.620 3.054 2.182 4.482 . 0 0 "[ . 1 . 2]" 2
606 1 15 THR HA 1 18 ARG QD . . 3.510 3.033 2.416 3.511 0.001 18 0 "[ . 1 . 2]" 2
607 1 18 ARG QB 1 19 ALA HA . . 5.140 4.297 4.269 4.337 . 0 0 "[ . 1 . 2]" 2
608 1 19 ALA HA 1 20 VAL QG . . 4.530 3.553 3.021 3.817 . 0 0 "[ . 1 . 2]" 2
609 1 20 VAL H 1 20 VAL QG . . 3.360 2.188 1.816 2.660 . 0 0 "[ . 1 . 2]" 2
610 1 20 VAL QG 1 21 LEU H . . 3.760 2.380 1.882 3.427 . 0 0 "[ . 1 . 2]" 2
611 1 21 LEU MD1 1 27 VAL QG . . 3.870 3.116 2.289 3.798 . 0 0 "[ . 1 . 2]" 2
612 1 21 LEU MD1 1 55 LEU QD . . 5.440 3.345 2.168 4.679 . 0 0 "[ . 1 . 2]" 2
613 1 21 LEU MD2 1 27 VAL QG . . 4.540 3.654 2.940 4.128 . 0 0 "[ . 1 . 2]" 2
614 1 21 LEU MD2 1 55 LEU QD . . 3.910 2.041 1.693 3.227 . 0 0 "[ . 1 . 2]" 2
615 1 22 ASN H 1 22 ASN QD . . 4.650 3.053 2.480 4.023 . 0 0 "[ . 1 . 2]" 2
616 1 22 ASN HA 1 23 PRO QD . . 2.920 2.127 2.108 2.163 . 0 0 "[ . 1 . 2]" 2
617 1 22 ASN HB2 1 23 PRO QG . . 4.880 3.568 3.524 3.601 . 0 0 "[ . 1 . 2]" 2
618 1 22 ASN HB2 1 23 PRO QD . . 3.040 2.000 1.983 2.080 . 0 0 "[ . 1 . 2]" 2
619 1 22 ASN HB3 1 23 PRO QD . . 3.510 2.857 2.663 2.981 . 0 0 "[ . 1 . 2]" 2
620 1 22 ASN QD 1 38 PHE QE . . 4.570 3.021 1.780 3.882 . 0 0 "[ . 1 . 2]" 2
621 1 23 PRO QB 1 24 LEU QD . . 4.560 4.188 3.089 4.550 . 0 0 "[ . 1 . 2]" 2
622 1 23 PRO QD 1 24 LEU H . . 4.120 2.863 2.606 2.967 . 0 0 "[ . 1 . 2]" 2
623 1 24 LEU H 1 24 LEU QB . . 3.130 2.322 2.178 2.561 . 0 0 "[ . 1 . 2]" 2
624 1 24 LEU H 1 24 LEU QD . . 3.840 3.101 1.876 3.549 . 0 0 "[ . 1 . 2]" 2
625 1 24 LEU HA 1 24 LEU QD . . 2.960 2.405 2.018 2.999 0.039 9 0 "[ . 1 . 2]" 2
626 1 24 LEU QB 1 24 LEU QD . . 2.740 1.837 1.756 2.016 . 0 0 "[ . 1 . 2]" 2
627 1 24 LEU QB 1 25 CYS H . . 4.350 2.713 2.518 2.895 . 0 0 "[ . 1 . 2]" 2
628 1 24 LEU QB 1 37 ASN HB2 . . 4.020 3.529 2.901 3.853 . 0 0 "[ . 1 . 2]" 2
629 1 24 LEU QB 1 37 ASN HB3 . . 3.860 3.321 2.775 3.609 . 0 0 "[ . 1 . 2]" 2
630 1 24 LEU QB 1 37 ASN QD . . 4.310 3.144 2.519 3.941 . 0 0 "[ . 1 . 2]" 2
631 1 24 LEU QD 1 37 ASN HB2 . . 4.740 4.211 3.686 4.603 . 0 0 "[ . 1 . 2]" 2
632 1 24 LEU QD 1 37 ASN QD . . 3.820 3.168 2.539 3.754 . 0 0 "[ . 1 . 2]" 2
633 1 25 CYS H 1 27 VAL QG . . 5.440 4.886 4.494 5.314 . 0 0 "[ . 1 . 2]" 2
634 1 25 CYS QB 1 27 VAL QG . . 3.880 3.378 2.957 3.853 . 0 0 "[ . 1 . 2]" 2
635 1 26 GLN H 1 26 GLN QB . . 3.030 2.339 2.227 2.452 . 0 0 "[ . 1 . 2]" 2
636 1 26 GLN H 1 26 GLN QG . . 3.650 2.883 2.371 3.661 0.011 19 0 "[ . 1 . 2]" 2
637 1 26 GLN HA 1 27 VAL QG . . 4.220 3.805 3.597 3.972 . 0 0 "[ . 1 . 2]" 2
638 1 26 GLN QB 1 27 VAL H . . 3.940 3.722 3.582 3.963 0.023 19 0 "[ . 1 . 2]" 2
639 1 26 GLN QB 1 35 ALA MB . . 3.050 2.410 2.091 2.761 . 0 0 "[ . 1 . 2]" 2
640 1 26 GLN QG 1 35 ALA MB . . 4.290 3.845 2.434 4.304 0.014 20 0 "[ . 1 . 2]" 2
641 1 27 VAL H 1 27 VAL QG . . 3.310 2.187 1.847 2.462 . 0 0 "[ . 1 . 2]" 2
642 1 27 VAL HA 1 27 VAL QG . . 2.880 2.202 2.046 2.473 . 0 0 "[ . 1 . 2]" 2
643 1 27 VAL QG 1 28 ASP H . . 3.410 2.514 2.017 2.958 . 0 0 "[ . 1 . 2]" 2
644 1 27 VAL QG 1 29 TYR H . . 4.330 2.586 1.934 3.426 . 0 0 "[ . 1 . 2]" 2
645 1 27 VAL QG 1 29 TYR HA . . 3.920 3.235 3.045 3.805 . 0 0 "[ . 1 . 2]" 2
646 1 27 VAL QG 1 29 TYR QD . . 4.100 2.541 1.864 3.379 . 0 0 "[ . 1 . 2]" 2
647 1 27 VAL QG 1 29 TYR QE . . 3.810 2.276 1.944 2.835 . 0 0 "[ . 1 . 2]" 2
648 1 27 VAL QG 1 33 LEU H . . 4.860 3.973 2.955 4.840 . 0 0 "[ . 1 . 2]" 2
649 1 27 VAL QG 1 34 TRP HA . . 3.720 3.072 2.136 3.703 . 0 0 "[ . 1 . 2]" 2
650 1 27 VAL QG 1 34 TRP HB2 . . 3.370 2.851 2.194 3.391 0.021 12 0 "[ . 1 . 2]" 2
651 1 27 VAL QG 1 34 TRP HB3 . . 3.310 2.547 2.050 3.051 . 0 0 "[ . 1 . 2]" 2
652 1 27 VAL QG 1 35 ALA H . . 4.820 4.293 3.746 4.724 . 0 0 "[ . 1 . 2]" 2
653 1 27 VAL QG 1 45 PHE QE . . 3.320 2.511 1.895 2.929 . 0 0 "[ . 1 . 2]" 2
654 1 27 VAL QG 1 45 PHE HZ . . 3.250 1.897 1.789 1.994 . 0 0 "[ . 1 . 2]" 2
655 1 29 TYR H 1 29 TYR QB . . 3.160 2.511 2.290 2.824 . 0 0 "[ . 1 . 2]" 2
656 1 29 TYR QB 1 30 ARG H . . 3.560 2.660 2.440 2.874 . 0 0 "[ . 1 . 2]" 2
657 1 29 TYR QE 1 55 LEU QD . . 5.010 2.805 1.899 4.517 . 0 0 "[ . 1 . 2]" 2
658 1 30 ARG H 1 30 ARG QG . . 3.620 2.697 1.889 3.710 0.090 15 0 "[ . 1 . 2]" 2
659 1 33 LEU MD1 1 42 ARG QD . . 4.710 3.317 2.085 4.542 . 0 0 "[ . 1 . 2]" 2
660 1 33 LEU MD2 1 42 ARG QD . . 5.340 3.728 2.736 4.675 . 0 0 "[ . 1 . 2]" 2
661 1 33 LEU MD2 1 44 GLN QB . . 4.890 3.538 2.906 3.914 . 0 0 "[ . 1 . 2]" 2
662 1 35 ALA MB 1 42 ARG QD . . 4.060 3.760 3.054 4.034 . 0 0 "[ . 1 . 2]" 2
663 1 37 ASN HB2 1 37 ASN QD . . 3.310 2.576 2.096 3.300 . 0 0 "[ . 1 . 2]" 2
664 1 41 GLN QE 1 41 GLN HG3 . . 3.450 2.314 2.100 3.350 . 0 0 "[ . 1 . 2]" 2
665 1 41 GLN QE 1 42 ARG H . . 3.910 2.653 1.786 3.880 . 0 0 "[ . 1 . 2]" 2
666 1 42 ARG HA 1 42 ARG QD . . 4.270 3.894 2.431 4.108 . 0 0 "[ . 1 . 2]" 2
667 1 42 ARG HB2 1 42 ARG QD . . 3.580 2.612 2.088 3.232 . 0 0 "[ . 1 . 2]" 2
668 1 44 GLN H 1 44 GLN QB . . 3.230 2.316 2.113 2.493 . 0 0 "[ . 1 . 2]" 2
669 1 44 GLN QB 1 45 PHE H . . 3.510 2.845 2.659 3.360 . 0 0 "[ . 1 . 2]" 2
670 1 45 PHE QD 1 49 TYR QB . . 4.880 3.373 2.455 4.311 . 0 0 "[ . 1 . 2]" 2
671 1 45 PHE QE 1 55 LEU QD . . 3.930 1.966 1.687 2.588 . 0 0 "[ . 1 . 2]" 2
672 1 45 PHE HZ 1 55 LEU QD . . 5.440 3.100 2.095 4.045 . 0 0 "[ . 1 . 2]" 2
673 1 46 PRO HA 1 47 PRO QD . . 2.580 2.153 2.039 2.198 . 0 0 "[ . 1 . 2]" 2
674 1 46 PRO QB 1 47 PRO QD . . 2.960 2.064 1.930 2.418 . 0 0 "[ . 1 . 2]" 2
675 1 46 PRO QB 1 49 TYR QB . . 4.800 3.751 3.426 4.026 . 0 0 "[ . 1 . 2]" 2
676 1 46 PRO QG 1 49 TYR HA . . 4.350 3.131 2.490 3.560 . 0 0 "[ . 1 . 2]" 2
677 1 46 PRO QG 1 49 TYR QB . . 3.900 2.083 1.949 2.483 . 0 0 "[ . 1 . 2]" 2
678 1 46 PRO HD2 1 55 LEU QD . . 4.010 3.651 3.104 4.021 0.011 3 0 "[ . 1 . 2]" 2
679 1 46 PRO HD3 1 49 TYR QB . . 5.340 4.243 3.976 4.679 . 0 0 "[ . 1 . 2]" 2
680 1 46 PRO HD3 1 55 LEU QD . . 4.670 4.431 3.759 4.670 . 0 0 "[ . 1 . 2]" 2
681 1 49 TYR HA 1 52 ILE QG . . 4.310 3.061 1.930 3.996 . 0 0 "[ . 1 . 2]" 2
682 1 49 TYR HA 1 55 LEU QD . . 4.820 3.897 3.150 4.828 0.008 3 0 "[ . 1 . 2]" 2
683 1 49 TYR QB 1 52 ILE HB . . 4.910 3.966 3.276 4.324 . 0 0 "[ . 1 . 2]" 2
684 1 49 TYR QB 1 55 LEU QB . . 4.690 3.590 2.810 4.499 . 0 0 "[ . 1 . 2]" 2
685 1 49 TYR QB 1 55 LEU QD . . 4.030 2.485 1.862 3.459 . 0 0 "[ . 1 . 2]" 2
686 1 49 TYR QD 1 55 LEU QB . . 4.370 2.849 1.981 4.074 . 0 0 "[ . 1 . 2]" 2
687 1 49 TYR QD 1 55 LEU QD . . 5.210 2.591 1.948 3.509 . 0 0 "[ . 1 . 2]" 2
688 1 52 ILE H 1 52 ILE QG . . 3.440 2.284 1.877 2.915 . 0 0 "[ . 1 . 2]" 2
689 1 52 ILE HA 1 52 ILE QG . . 3.330 2.504 2.242 3.137 . 0 0 "[ . 1 . 2]" 2
690 1 52 ILE HB 1 55 LEU QB . . 4.160 2.299 1.982 2.892 . 0 0 "[ . 1 . 2]" 2
691 1 52 ILE HB 1 55 LEU QD . . 4.610 2.690 1.990 3.267 . 0 0 "[ . 1 . 2]" 2
692 1 52 ILE QG 1 52 ILE MG . . 3.200 2.204 1.968 2.411 . 0 0 "[ . 1 . 2]" 2
693 1 52 ILE MG 1 54 GLU QB . . 3.830 2.278 1.858 2.705 . 0 0 "[ . 1 . 2]" 2
694 1 52 ILE MG 1 55 LEU QB . . 4.220 2.666 1.970 3.185 . 0 0 "[ . 1 . 2]" 2
695 1 54 GLU HA 1 54 GLU QG . . 3.360 2.592 2.253 3.077 . 0 0 "[ . 1 . 2]" 2
696 1 55 LEU HA 1 55 LEU QD . . 3.180 2.264 1.928 2.999 . 0 0 "[ . 1 . 2]" 2
697 1 56 ASN QB 1 57 GLN H . . 4.020 3.196 1.901 3.983 . 0 0 "[ . 1 . 2]" 2
698 1 57 GLN H 1 57 GLN QB . . 3.430 2.571 2.223 3.265 . 0 0 "[ . 1 . 2]" 2
699 1 57 GLN QB 1 58 PRO QD . . 4.120 2.690 1.999 3.816 . 0 0 "[ . 1 . 2]" 2
700 1 57 GLN QG 1 58 PRO QD . . 4.140 3.053 1.824 3.840 . 0 0 "[ . 1 . 2]" 2
701 1 58 PRO QB 1 59 ALA H . . 3.960 3.251 2.676 3.544 . 0 0 "[ . 1 . 2]" 2
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