NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509515 |
2yu4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yu4
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 13
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 9.618
_Distance_constraint_stats_list.Viol_max 0.017
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0042
_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 26 CYS 0.151 0.017 19 0 "[ . 1 . 2]"
1 28 HIS 0.202 0.011 11 0 "[ . 1 . 2]"
1 51 CYS 0.175 0.014 1 0 "[ . 1 . 2]"
1 56 CYS 0.112 0.011 7 0 "[ . 1 . 2]"
2 1 ZN 0.321 0.017 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 CYS SG 2 1 ZN ZN . 2.250 2.350 2.263 2.242 2.332 0.008 18 0 "[ . 1 . 2]" 1
2 1 51 CYS SG 2 1 ZN ZN . 2.250 2.350 2.299 2.252 2.354 0.004 12 0 "[ . 1 . 2]" 1
3 1 56 CYS SG 2 1 ZN ZN . 2.250 2.350 2.349 2.334 2.361 0.011 7 0 "[ . 1 . 2]" 1
4 1 28 HIS ND1 2 1 ZN ZN . . 2.050 2.053 2.040 2.061 0.011 11 0 "[ . 1 . 2]" 1
5 1 26 CYS CB 2 1 ZN ZN . 3.220 3.520 3.524 3.513 3.537 0.017 19 0 "[ . 1 . 2]" 1
6 1 51 CYS CB 2 1 ZN ZN . 3.220 3.520 3.520 3.497 3.534 0.014 1 0 "[ . 1 . 2]" 1
7 1 56 CYS CB 2 1 ZN ZN . 3.220 3.520 3.343 3.287 3.444 . 0 0 "[ . 1 . 2]" 1
8 1 26 CYS SG 1 28 HIS ND1 . 3.500 3.700 3.504 3.498 3.543 0.002 20 0 "[ . 1 . 2]" 1
9 1 26 CYS SG 1 51 CYS SG . 3.650 3.850 3.662 3.646 3.748 0.004 8 0 "[ . 1 . 2]" 1
10 1 26 CYS SG 1 56 CYS SG . 3.650 3.850 3.698 3.647 3.793 0.003 20 0 "[ . 1 . 2]" 1
11 1 28 HIS ND1 1 51 CYS SG . 3.500 3.700 3.703 3.699 3.706 0.006 4 0 "[ . 1 . 2]" 1
12 1 28 HIS ND1 1 56 CYS SG . 3.500 3.700 3.697 3.636 3.708 0.008 11 0 "[ . 1 . 2]" 1
13 1 51 CYS SG 1 56 CYS SG . 3.650 3.850 3.649 3.647 3.651 0.003 15 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 1633
_Distance_constraint_stats_list.Viol_count 1012
_Distance_constraint_stats_list.Viol_total 84.350
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0042
_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 2 0 "[ . 1 . 2]"
1 8 PHE 0.035 0.005 6 0 "[ . 1 . 2]"
1 9 THR 0.041 0.010 15 0 "[ . 1 . 2]"
1 10 CYS 0.040 0.009 13 0 "[ . 1 . 2]"
1 11 PRO 0.096 0.014 15 0 "[ . 1 . 2]"
1 12 ILE 0.134 0.011 13 0 "[ . 1 . 2]"
1 13 THR 0.019 0.002 14 0 "[ . 1 . 2]"
1 14 LYS 0.143 0.041 15 0 "[ . 1 . 2]"
1 15 GLU 0.028 0.014 15 0 "[ . 1 . 2]"
1 16 GLU 0.058 0.008 10 0 "[ . 1 . 2]"
1 17 MET 0.050 0.008 3 0 "[ . 1 . 2]"
1 18 LYS 0.032 0.005 9 0 "[ . 1 . 2]"
1 19 LYS 0.012 0.001 6 0 "[ . 1 . 2]"
1 20 PRO 0.035 0.002 19 0 "[ . 1 . 2]"
1 21 VAL 0.465 0.020 11 0 "[ . 1 . 2]"
1 22 LYS 0.125 0.008 13 0 "[ . 1 . 2]"
1 23 ASN 0.031 0.003 15 0 "[ . 1 . 2]"
1 24 LYS 0.115 0.009 17 0 "[ . 1 . 2]"
1 25 VAL 0.055 0.010 14 0 "[ . 1 . 2]"
1 26 CYS 0.076 0.011 1 0 "[ . 1 . 2]"
1 27 GLY 0.100 0.008 13 0 "[ . 1 . 2]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 0.923 0.022 6 0 "[ . 1 . 2]"
1 31 GLU 0.026 0.009 13 0 "[ . 1 . 2]"
1 32 GLU 0.267 0.015 20 0 "[ . 1 . 2]"
1 33 ASP 0.697 0.045 15 0 "[ . 1 . 2]"
1 34 ALA 0.065 0.011 13 0 "[ . 1 . 2]"
1 35 ILE 0.677 0.022 6 0 "[ . 1 . 2]"
1 36 VAL 0.804 0.045 15 0 "[ . 1 . 2]"
1 37 ARG 0.032 0.004 8 0 "[ . 1 . 2]"
1 38 MET 0.009 0.002 18 0 "[ . 1 . 2]"
1 39 ILE 0.017 0.002 10 0 "[ . 1 . 2]"
1 40 GLU 0.014 0.004 14 0 "[ . 1 . 2]"
1 41 SER 0.001 0.001 4 0 "[ . 1 . 2]"
1 42 ARG 0.051 0.004 20 0 "[ . 1 . 2]"
1 43 GLN 0.021 0.003 10 0 "[ . 1 . 2]"
1 44 LYS 0.001 0.001 5 0 "[ . 1 . 2]"
1 45 ARG 0.016 0.003 20 0 "[ . 1 . 2]"
1 46 LYS 0.009 0.003 10 0 "[ . 1 . 2]"
1 47 LYS 0.083 0.003 17 0 "[ . 1 . 2]"
1 48 LYS 0.508 0.027 8 0 "[ . 1 . 2]"
1 49 ALA 0.046 0.004 20 0 "[ . 1 . 2]"
1 50 TYR 0.051 0.003 5 0 "[ . 1 . 2]"
1 51 CYS 0.311 0.014 4 0 "[ . 1 . 2]"
1 52 PRO 0.093 0.013 14 0 "[ . 1 . 2]"
1 53 GLN 0.062 0.010 10 0 "[ . 1 . 2]"
1 54 ILE 0.039 0.006 11 0 "[ . 1 . 2]"
1 55 GLY 0.012 0.006 13 0 "[ . 1 . 2]"
1 56 CYS 0.009 0.002 17 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 HIS 0.233 0.011 1 0 "[ . 1 . 2]"
1 59 THR 0.002 0.002 8 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.142 0.009 12 0 "[ . 1 . 2]"
1 62 ARG 0.001 0.001 18 0 "[ . 1 . 2]"
1 63 LYS 0.120 0.007 2 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.130 0.008 17 0 "[ . 1 . 2]"
1 66 LEU 0.064 0.009 17 0 "[ . 1 . 2]"
1 67 ILE 0.098 0.014 7 0 "[ . 1 . 2]"
1 68 GLN 0.056 0.014 7 0 "[ . 1 . 2]"
1 69 ASP 0.039 0.007 1 0 "[ . 1 . 2]"
1 70 GLU 0.168 0.056 15 0 "[ . 1 . 2]"
1 71 ALA 0.001 0.001 16 0 "[ . 1 . 2]"
1 72 LEU 0.014 0.008 3 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.003 0.001 11 0 "[ . 1 . 2]"
1 75 ALA 0.005 0.005 6 0 "[ . 1 . 2]"
1 76 ILE 0.019 0.008 10 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 20 0 "[ . 1 . 2]"
1 78 ASN 0.000 0.000 18 0 "[ . 1 . 2]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.000 0.000 16 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 18 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 THR HA 1 10 CYS H . . 3.090 2.192 2.172 2.221 . 0 0 "[ . 1 . 2]" 2
2 1 10 CYS H 1 16 GLU HA . . 4.250 3.929 3.735 4.009 . 0 0 "[ . 1 . 2]" 2
3 1 9 THR HB 1 10 CYS H . . 3.670 3.239 3.129 3.343 . 0 0 "[ . 1 . 2]" 2
4 1 10 CYS H 1 10 CYS HB3 . . 3.630 2.654 2.636 2.729 . 0 0 "[ . 1 . 2]" 2
5 1 32 GLU H 1 32 GLU HB2 . . 3.540 2.272 2.265 2.276 . 0 0 "[ . 1 . 2]" 2
6 1 32 GLU H 1 32 GLU HB3 . . 3.510 2.808 2.803 2.817 . 0 0 "[ . 1 . 2]" 2
7 1 54 ILE H 1 54 ILE HB . . 3.260 2.650 2.609 2.700 . 0 0 "[ . 1 . 2]" 2
8 1 54 ILE H 1 54 ILE HG12 . . 4.020 3.241 1.948 3.702 . 0 0 "[ . 1 . 2]" 2
9 1 21 VAL HA 1 69 ASP H . . 3.270 2.668 2.532 2.741 . 0 0 "[ . 1 . 2]" 2
10 1 68 GLN HA 1 69 ASP H . . 2.960 2.150 2.138 2.180 . 0 0 "[ . 1 . 2]" 2
11 1 69 ASP H 1 69 ASP HB3 . . 3.650 2.697 2.604 2.798 . 0 0 "[ . 1 . 2]" 2
12 1 69 ASP H 1 69 ASP HB2 . . 3.410 2.497 2.312 2.629 . 0 0 "[ . 1 . 2]" 2
13 1 21 VAL MG1 1 69 ASP H . . 3.880 3.813 3.591 3.887 0.007 1 0 "[ . 1 . 2]" 2
14 1 9 THR HA 1 17 MET H . . 3.620 3.527 3.392 3.615 . 0 0 "[ . 1 . 2]" 2
15 1 16 GLU HA 1 17 MET H . . 3.100 2.262 2.232 2.310 . 0 0 "[ . 1 . 2]" 2
16 1 17 MET H 1 17 MET HG3 . . 3.590 2.722 2.564 2.992 . 0 0 "[ . 1 . 2]" 2
17 1 16 GLU QG 1 17 MET H . . 3.440 2.348 2.128 2.473 . 0 0 "[ . 1 . 2]" 2
18 1 17 MET H 1 17 MET HB2 . . 3.360 2.634 2.465 2.700 . 0 0 "[ . 1 . 2]" 2
19 1 17 MET H 1 17 MET HB3 . . 3.790 3.718 3.670 3.729 . 0 0 "[ . 1 . 2]" 2
20 1 36 VAL H 1 36 VAL HB . . 3.050 2.420 2.418 2.421 . 0 0 "[ . 1 . 2]" 2
21 1 36 VAL H 1 36 VAL MG2 . . 3.150 2.496 2.452 2.612 . 0 0 "[ . 1 . 2]" 2
22 1 36 VAL H 1 36 VAL MG1 . . 3.800 3.750 3.749 3.752 . 0 0 "[ . 1 . 2]" 2
23 1 70 GLU H 1 70 GLU QG . . 3.840 3.758 3.529 3.896 0.056 15 0 "[ . 1 . 2]" 2
24 1 70 GLU H 1 70 GLU HB3 . . 3.680 2.969 2.344 3.223 . 0 0 "[ . 1 . 2]" 2
25 1 55 GLY H 1 56 CYS H . . 3.780 2.222 2.112 2.521 . 0 0 "[ . 1 . 2]" 2
26 1 56 CYS H 1 56 CYS HB3 . . 3.330 2.829 2.683 2.932 . 0 0 "[ . 1 . 2]" 2
27 1 56 CYS H 1 56 CYS HB2 . . 3.330 2.372 2.292 2.496 . 0 0 "[ . 1 . 2]" 2
28 1 68 GLN H 1 68 GLN HG3 . . 3.560 2.329 2.128 2.545 . 0 0 "[ . 1 . 2]" 2
29 1 75 ALA H 1 76 ILE HG13 . . 5.060 4.399 4.141 4.538 . 0 0 "[ . 1 . 2]" 2
30 1 74 ARG QB 1 75 ALA H . . 3.340 2.780 2.545 2.906 . 0 0 "[ . 1 . 2]" 2
31 1 75 ALA H 1 75 ALA MB . . 2.950 2.082 2.024 2.202 . 0 0 "[ . 1 . 2]" 2
32 1 50 TYR HA 1 51 CYS H . . 3.240 2.328 2.305 2.336 . 0 0 "[ . 1 . 2]" 2
33 1 51 CYS H 1 59 THR HA . . 3.850 2.337 2.033 2.489 . 0 0 "[ . 1 . 2]" 2
34 1 51 CYS H 1 51 CYS HB2 . . 3.020 2.125 2.073 2.147 . 0 0 "[ . 1 . 2]" 2
35 1 50 TYR HB3 1 51 CYS H . . 3.810 3.708 3.693 3.737 . 0 0 "[ . 1 . 2]" 2
36 1 51 CYS H 1 61 ILE MD . . 4.140 2.859 2.722 3.044 . 0 0 "[ . 1 . 2]" 2
37 1 61 ILE HA 1 62 ARG H . . 2.910 2.166 2.158 2.175 . 0 0 "[ . 1 . 2]" 2
38 1 62 ARG H 1 65 ASP HB3 . . 4.380 4.079 3.932 4.270 . 0 0 "[ . 1 . 2]" 2
39 1 62 ARG H 1 62 ARG HB2 . . 3.880 2.534 2.438 2.712 . 0 0 "[ . 1 . 2]" 2
40 1 62 ARG H 1 62 ARG HB3 . . 3.880 3.546 3.256 3.800 . 0 0 "[ . 1 . 2]" 2
41 1 61 ILE MG 1 62 ARG H . . 3.680 2.258 2.175 2.463 . 0 0 "[ . 1 . 2]" 2
42 1 72 LEU H 1 72 LEU QB . . 2.670 2.250 2.112 2.302 . 0 0 "[ . 1 . 2]" 2
43 1 72 LEU H 1 72 LEU MD1 . . 4.730 4.061 3.663 4.282 . 0 0 "[ . 1 . 2]" 2
44 1 15 GLU HA 1 16 GLU H . . 3.190 2.548 2.450 2.691 . 0 0 "[ . 1 . 2]" 2
45 1 16 GLU H 1 16 GLU QG . . 3.920 3.881 3.786 3.921 0.001 5 0 "[ . 1 . 2]" 2
46 1 15 GLU HB2 1 16 GLU H . . 3.790 2.651 2.098 3.285 . 0 0 "[ . 1 . 2]" 2
47 1 16 GLU H 1 16 GLU HB2 . . 2.950 2.210 2.138 2.278 . 0 0 "[ . 1 . 2]" 2
48 1 16 GLU H 1 16 GLU HB3 . . 3.130 2.901 2.815 3.017 . 0 0 "[ . 1 . 2]" 2
49 1 15 GLU HB3 1 16 GLU H . . 3.790 2.931 1.992 3.787 . 0 0 "[ . 1 . 2]" 2
50 1 76 ILE H 1 77 GLU H . . 2.800 2.728 2.576 2.800 0.000 20 0 "[ . 1 . 2]" 2
51 1 76 ILE H 1 76 ILE HB . . 3.030 2.592 2.537 2.611 . 0 0 "[ . 1 . 2]" 2
52 1 75 ALA MB 1 76 ILE H . . 3.220 2.374 2.236 2.579 . 0 0 "[ . 1 . 2]" 2
53 1 76 ILE H 1 76 ILE HG13 . . 3.290 1.978 1.951 2.094 . 0 0 "[ . 1 . 2]" 2
54 1 76 ILE H 1 76 ILE MD . . 3.640 3.414 3.326 3.537 . 0 0 "[ . 1 . 2]" 2
55 1 76 ILE H 1 76 ILE HG12 . . 3.800 3.358 3.217 3.491 . 0 0 "[ . 1 . 2]" 2
56 1 71 ALA H 1 71 ALA MB . . 2.970 2.119 2.030 2.228 . 0 0 "[ . 1 . 2]" 2
57 1 63 LYS HA 1 65 ASP H . . 4.570 3.898 3.824 3.970 . 0 0 "[ . 1 . 2]" 2
58 1 28 HIS H 1 28 HIS QB . . 2.910 2.171 2.126 2.211 . 0 0 "[ . 1 . 2]" 2
59 1 26 CYS HB3 1 28 HIS H . . 3.340 2.770 2.663 2.844 . 0 0 "[ . 1 . 2]" 2
60 1 78 ASN H 1 79 HIS H . . 3.730 2.542 2.344 2.665 . 0 0 "[ . 1 . 2]" 2
61 1 79 HIS H 1 79 HIS HB2 . . 3.260 2.722 2.368 2.897 . 0 0 "[ . 1 . 2]" 2
62 1 79 HIS H 1 79 HIS HB3 . . 3.260 2.506 2.398 2.838 . 0 0 "[ . 1 . 2]" 2
63 1 78 ASN HB3 1 79 HIS H . . 3.850 3.091 2.926 3.241 . 0 0 "[ . 1 . 2]" 2
64 1 77 GLU H 1 77 GLU HG2 . . 4.250 3.771 3.069 4.229 . 0 0 "[ . 1 . 2]" 2
65 1 77 GLU H 1 77 GLU HB2 . . 2.920 2.161 2.107 2.219 . 0 0 "[ . 1 . 2]" 2
66 1 76 ILE HB 1 77 GLU H . . 3.160 2.743 2.567 2.918 . 0 0 "[ . 1 . 2]" 2
67 1 76 ILE MG 1 77 GLU H . . 3.890 3.606 3.445 3.737 . 0 0 "[ . 1 . 2]" 2
68 1 43 GLN H 1 44 LYS H . . 3.440 2.832 2.759 2.892 . 0 0 "[ . 1 . 2]" 2
69 1 40 GLU HA 1 44 LYS H . . 4.930 4.139 3.840 4.578 . 0 0 "[ . 1 . 2]" 2
70 1 42 ARG HA 1 44 LYS H . . 5.240 4.393 4.025 4.638 . 0 0 "[ . 1 . 2]" 2
71 1 43 GLN HB2 1 44 LYS H . . 3.620 3.039 2.826 3.283 . 0 0 "[ . 1 . 2]" 2
72 1 42 ARG H 1 43 GLN H . . 3.400 2.588 2.442 2.784 . 0 0 "[ . 1 . 2]" 2
73 1 41 SER H 1 42 ARG H . . 3.440 2.465 2.322 2.641 . 0 0 "[ . 1 . 2]" 2
74 1 41 SER QB 1 42 ARG H . . 3.350 2.874 2.641 3.060 . 0 0 "[ . 1 . 2]" 2
75 1 42 ARG H 1 42 ARG HB2 . . 3.000 2.492 2.402 2.552 . 0 0 "[ . 1 . 2]" 2
76 1 42 ARG H 1 42 ARG HG3 . . 3.670 3.303 3.042 3.620 . 0 0 "[ . 1 . 2]" 2
77 1 38 MET H 1 39 ILE H . . 3.450 2.681 2.648 2.724 . 0 0 "[ . 1 . 2]" 2
78 1 38 MET H 1 38 MET HB2 . . 2.880 2.693 2.488 2.752 . 0 0 "[ . 1 . 2]" 2
79 1 37 ARG HB3 1 38 MET H . . 3.970 3.956 3.944 3.972 0.002 15 0 "[ . 1 . 2]" 2
80 1 50 TYR H 1 50 TYR HB3 . . 3.340 3.240 3.168 3.342 0.002 17 0 "[ . 1 . 2]" 2
81 1 50 TYR H 1 50 TYR QD . . 3.620 2.745 2.592 3.024 . 0 0 "[ . 1 . 2]" 2
82 1 49 ALA HA 1 50 TYR H . . 2.840 2.145 2.141 2.151 . 0 0 "[ . 1 . 2]" 2
83 1 49 ALA MB 1 50 TYR H . . 3.700 3.278 3.130 3.363 . 0 0 "[ . 1 . 2]" 2
84 1 48 LYS H 1 48 LYS HB3 . . 3.350 3.017 2.970 3.079 . 0 0 "[ . 1 . 2]" 2
85 1 48 LYS H 1 48 LYS HG2 . . 4.030 2.388 2.354 2.423 . 0 0 "[ . 1 . 2]" 2
86 1 47 LYS QG 1 48 LYS H . . 3.620 2.633 2.375 2.829 . 0 0 "[ . 1 . 2]" 2
87 1 48 LYS H 1 48 LYS HG3 . . 4.030 3.928 3.893 3.962 . 0 0 "[ . 1 . 2]" 2
88 1 80 ASN H 1 81 LYS H . . 3.740 2.515 2.360 2.669 . 0 0 "[ . 1 . 2]" 2
89 1 81 LYS H 1 81 LYS QB . . 3.350 2.366 2.322 2.420 . 0 0 "[ . 1 . 2]" 2
90 1 47 LYS HA 1 48 LYS H . . 3.160 2.638 2.609 2.705 . 0 0 "[ . 1 . 2]" 2
91 1 78 ASN HA 1 81 LYS H . . 4.340 3.806 3.538 3.980 . 0 0 "[ . 1 . 2]" 2
92 1 80 ASN QB 1 81 LYS H . . 3.990 2.723 2.443 2.930 . 0 0 "[ . 1 . 2]" 2
93 1 24 LYS H 1 25 VAL H . . 3.680 2.344 2.155 2.629 . 0 0 "[ . 1 . 2]" 2
94 1 25 VAL H 1 26 CYS H . . 3.450 2.779 2.744 2.870 . 0 0 "[ . 1 . 2]" 2
95 1 25 VAL H 1 25 VAL HB . . 3.070 2.621 2.611 2.642 . 0 0 "[ . 1 . 2]" 2
96 1 25 VAL H 1 25 VAL MG2 . . 3.130 2.096 1.957 2.261 . 0 0 "[ . 1 . 2]" 2
97 1 25 VAL H 1 25 VAL MG1 . . 4.060 3.782 3.769 3.787 . 0 0 "[ . 1 . 2]" 2
98 1 61 ILE H 1 61 ILE HB . . 3.490 2.718 2.696 2.767 . 0 0 "[ . 1 . 2]" 2
99 1 49 ALA MB 1 61 ILE H . . 3.520 3.175 3.035 3.341 . 0 0 "[ . 1 . 2]" 2
100 1 61 ILE H 1 61 ILE HG13 . . 3.620 2.847 2.733 2.906 . 0 0 "[ . 1 . 2]" 2
101 1 83 ARG H 1 83 ARG QB . . 3.710 2.679 2.039 3.408 . 0 0 "[ . 1 . 2]" 2
102 1 30 TYR H 1 30 TYR QD . . 3.900 3.278 3.181 3.346 . 0 0 "[ . 1 . 2]" 2
103 1 29 THR HA 1 30 TYR H . . 3.170 2.212 2.193 2.249 . 0 0 "[ . 1 . 2]" 2
104 1 20 PRO HA 1 30 TYR H . . 4.420 4.059 3.882 4.263 . 0 0 "[ . 1 . 2]" 2
105 1 21 VAL MG2 1 30 TYR H . . 3.690 2.369 2.194 2.802 . 0 0 "[ . 1 . 2]" 2
106 1 36 VAL HA 1 39 ILE H . . 4.220 4.034 3.981 4.089 . 0 0 "[ . 1 . 2]" 2
107 1 38 MET HB3 1 39 ILE H . . 3.450 2.293 2.205 2.365 . 0 0 "[ . 1 . 2]" 2
108 1 39 ILE H 1 39 ILE HG13 . . 3.060 1.978 1.950 2.002 . 0 0 "[ . 1 . 2]" 2
109 1 39 ILE H 1 39 ILE MG . . 3.910 3.765 3.764 3.766 . 0 0 "[ . 1 . 2]" 2
110 1 39 ILE H 1 39 ILE HG12 . . 3.710 3.385 3.334 3.422 . 0 0 "[ . 1 . 2]" 2
111 1 43 GLN H 1 43 GLN HG2 . . 4.060 3.673 3.282 4.038 . 0 0 "[ . 1 . 2]" 2
112 1 43 GLN H 1 43 GLN HB2 . . 3.490 2.093 2.068 2.154 . 0 0 "[ . 1 . 2]" 2
113 1 43 GLN H 1 43 GLN HB3 . . 3.660 3.374 3.311 3.468 . 0 0 "[ . 1 . 2]" 2
114 1 42 ARG HB2 1 43 GLN H . . 3.700 2.351 2.295 2.388 . 0 0 "[ . 1 . 2]" 2
115 1 42 ARG HB3 1 43 GLN H . . 3.950 3.448 3.299 3.528 . 0 0 "[ . 1 . 2]" 2
116 1 70 GLU HA 1 73 ARG H . . 3.640 3.134 3.014 3.284 . 0 0 "[ . 1 . 2]" 2
117 1 20 PRO HG2 1 73 ARG H . . 3.840 3.235 3.024 3.473 . 0 0 "[ . 1 . 2]" 2
118 1 73 ARG H 1 73 ARG HB2 . . 3.570 2.109 2.069 2.215 . 0 0 "[ . 1 . 2]" 2
119 1 73 ARG H 1 73 ARG HB3 . . 3.570 3.404 3.332 3.511 . 0 0 "[ . 1 . 2]" 2
120 1 72 LEU QB 1 73 ARG H . . 3.160 2.584 2.398 2.807 . 0 0 "[ . 1 . 2]" 2
121 1 81 LYS H 1 82 LYS H . . 3.430 2.663 2.518 2.760 . 0 0 "[ . 1 . 2]" 2
122 1 82 LYS H 1 82 LYS QB . . 3.510 2.183 2.039 2.605 . 0 0 "[ . 1 . 2]" 2
123 1 34 ALA MB 1 35 ILE H . . 3.430 2.100 2.096 2.102 . 0 0 "[ . 1 . 2]" 2
124 1 35 ILE H 1 35 ILE MG . . 2.940 2.171 2.148 2.212 . 0 0 "[ . 1 . 2]" 2
125 1 15 GLU H 1 15 GLU HB2 . . 4.070 3.426 2.770 3.975 . 0 0 "[ . 1 . 2]" 2
126 1 15 GLU H 1 15 GLU HB3 . . 4.070 3.619 3.127 3.927 . 0 0 "[ . 1 . 2]" 2
127 1 33 ASP H 1 34 ALA H . . 3.680 2.778 2.773 2.785 . 0 0 "[ . 1 . 2]" 2
128 1 34 ALA H 1 35 ILE H . . 3.270 2.824 2.821 2.828 . 0 0 "[ . 1 . 2]" 2
129 1 33 ASP HB2 1 34 ALA H . . 3.520 2.904 2.853 2.993 . 0 0 "[ . 1 . 2]" 2
130 1 31 GLU HG2 1 34 ALA H . . 3.460 1.970 1.950 2.003 . 0 0 "[ . 1 . 2]" 2
131 1 31 GLU HG3 1 34 ALA H . . 3.510 3.355 3.292 3.452 . 0 0 "[ . 1 . 2]" 2
132 1 34 ALA H 1 34 ALA MB . . 3.080 2.242 2.241 2.243 . 0 0 "[ . 1 . 2]" 2
133 1 47 LYS H 1 47 LYS HB2 . . 3.710 2.317 2.147 2.447 . 0 0 "[ . 1 . 2]" 2
134 1 36 VAL H 1 37 ARG H . . 3.490 2.365 2.356 2.371 . 0 0 "[ . 1 . 2]" 2
135 1 36 VAL HB 1 37 ARG H . . 3.360 2.703 2.688 2.719 . 0 0 "[ . 1 . 2]" 2
136 1 37 ARG H 1 37 ARG HB3 . . 2.900 2.484 2.475 2.498 . 0 0 "[ . 1 . 2]" 2
137 1 36 VAL MG2 1 37 ARG H . . 4.190 3.939 3.930 3.954 . 0 0 "[ . 1 . 2]" 2
138 1 36 VAL MG1 1 37 ARG H . . 3.970 3.368 3.339 3.448 . 0 0 "[ . 1 . 2]" 2
139 1 78 ASN H 1 78 ASN HB2 . . 3.140 2.180 2.081 2.464 . 0 0 "[ . 1 . 2]" 2
140 1 77 GLU HB3 1 78 ASN H . . 3.560 3.417 3.182 3.546 . 0 0 "[ . 1 . 2]" 2
141 1 40 GLU H 1 40 GLU HG3 . . 3.540 3.220 3.015 3.461 . 0 0 "[ . 1 . 2]" 2
142 1 40 GLU H 1 40 GLU HG2 . . 3.430 2.962 2.391 3.271 . 0 0 "[ . 1 . 2]" 2
143 1 40 GLU H 1 40 GLU HB2 . . 3.170 2.308 2.227 2.472 . 0 0 "[ . 1 . 2]" 2
144 1 39 ILE HB 1 40 GLU H . . 3.410 2.660 2.436 2.859 . 0 0 "[ . 1 . 2]" 2
145 1 39 ILE MG 1 40 GLU H . . 3.980 3.510 3.324 3.645 . 0 0 "[ . 1 . 2]" 2
146 1 70 GLU HA 1 74 ARG H . . 3.730 3.712 3.618 3.731 0.001 11 0 "[ . 1 . 2]" 2
147 1 74 ARG H 1 74 ARG QB . . 2.740 2.356 2.208 2.508 . 0 0 "[ . 1 . 2]" 2
148 1 74 ARG H 1 74 ARG QG . . 3.480 2.434 2.063 2.855 . 0 0 "[ . 1 . 2]" 2
149 1 8 PHE H 1 9 THR H . . 4.140 4.126 4.087 4.140 . 9 0 "[ . 1 . 2]" 2
150 1 8 PHE H 1 8 PHE HB3 . . 3.940 3.756 3.707 3.798 . 0 0 "[ . 1 . 2]" 2
151 1 46 LYS HA 1 47 LYS H . . 3.400 2.851 2.710 2.976 . 0 0 "[ . 1 . 2]" 2
152 1 42 ARG HB3 1 47 LYS H . . 4.090 3.731 3.564 3.824 . 0 0 "[ . 1 . 2]" 2
153 1 45 ARG HB2 1 47 LYS H . . 4.440 3.691 3.360 4.061 . 0 0 "[ . 1 . 2]" 2
154 1 47 LYS H 1 47 LYS HB3 . . 3.800 3.326 3.182 3.425 . 0 0 "[ . 1 . 2]" 2
155 1 80 ASN H 1 80 ASN QB . . 3.400 2.207 2.052 2.672 . 0 0 "[ . 1 . 2]" 2
156 1 65 ASP H 1 66 LEU H . . 3.060 2.752 2.718 2.777 . 0 0 "[ . 1 . 2]" 2
157 1 66 LEU H 1 66 LEU HB2 . . 3.140 2.454 2.398 2.532 . 0 0 "[ . 1 . 2]" 2
158 1 66 LEU H 1 66 LEU HG . . 3.040 2.983 2.796 3.041 0.001 8 0 "[ . 1 . 2]" 2
159 1 66 LEU H 1 66 LEU HB3 . . 3.710 3.666 3.633 3.710 . 0 0 "[ . 1 . 2]" 2
160 1 66 LEU H 1 66 LEU MD2 . . 3.840 3.739 3.519 3.840 . 0 0 "[ . 1 . 2]" 2
161 1 59 THR H 1 60 ASP H . . 3.770 2.238 2.149 2.305 . 0 0 "[ . 1 . 2]" 2
162 1 58 HIS HA 1 59 THR H . . 2.960 2.311 2.286 2.330 . 0 0 "[ . 1 . 2]" 2
163 1 59 THR H 1 59 THR HB . . 4.030 3.891 3.874 3.926 . 0 0 "[ . 1 . 2]" 2
164 1 59 THR H 1 59 THR MG . . 3.680 3.379 3.222 3.465 . 0 0 "[ . 1 . 2]" 2
165 1 44 LYS H 1 45 ARG H . . 3.410 2.677 2.543 2.731 . 0 0 "[ . 1 . 2]" 2
166 1 45 ARG H 1 46 LYS H . . 3.200 2.636 2.511 2.723 . 0 0 "[ . 1 . 2]" 2
167 1 43 GLN HA 1 45 ARG H . . 4.430 3.964 3.818 4.244 . 0 0 "[ . 1 . 2]" 2
168 1 45 ARG H 1 46 LYS HA . . 4.700 4.615 4.483 4.701 0.001 8 0 "[ . 1 . 2]" 2
169 1 45 ARG H 1 45 ARG HB3 . . 3.690 3.609 3.209 3.681 . 0 0 "[ . 1 . 2]" 2
170 1 45 ARG H 1 45 ARG HB2 . . 3.100 2.403 2.283 2.500 . 0 0 "[ . 1 . 2]" 2
171 1 54 ILE HA 1 55 GLY H . . 3.070 2.164 2.143 2.184 . 0 0 "[ . 1 . 2]" 2
172 1 54 ILE MG 1 55 GLY H . . 4.110 2.993 2.567 3.212 . 0 0 "[ . 1 . 2]" 2
173 1 43 GLN HA 1 46 LYS H . . 4.210 3.638 3.407 3.776 . 0 0 "[ . 1 . 2]" 2
174 1 44 LYS HA 1 46 LYS H . . 4.610 3.738 3.674 3.860 . 0 0 "[ . 1 . 2]" 2
175 1 45 ARG HB2 1 46 LYS H . . 4.590 4.050 3.989 4.250 . 0 0 "[ . 1 . 2]" 2
176 1 46 LYS H 1 46 LYS QD . . 4.890 4.448 3.087 4.859 . 0 0 "[ . 1 . 2]" 2
177 1 41 SER H 1 41 SER QB . . 3.010 2.257 2.174 2.329 . 0 0 "[ . 1 . 2]" 2
178 1 40 GLU HB2 1 41 SER H . . 3.570 2.839 2.678 3.027 . 0 0 "[ . 1 . 2]" 2
179 1 40 GLU HB3 1 41 SER H . . 3.770 3.599 3.295 3.766 . 0 0 "[ . 1 . 2]" 2
180 1 13 THR H 1 14 LYS H . . 3.570 2.511 2.452 2.559 . 0 0 "[ . 1 . 2]" 2
181 1 14 LYS H 1 15 GLU H . . 2.740 2.670 2.625 2.754 0.014 15 0 "[ . 1 . 2]" 2
182 1 13 THR HA 1 14 LYS H . . 3.450 3.417 3.326 3.440 . 0 0 "[ . 1 . 2]" 2
183 1 14 LYS H 1 14 LYS HA . . 2.910 2.275 2.274 2.279 . 0 0 "[ . 1 . 2]" 2
184 1 14 LYS H 1 14 LYS HD2 . . 4.620 3.422 2.603 4.258 . 0 0 "[ . 1 . 2]" 2
185 1 14 LYS H 1 14 LYS HD3 . . 4.620 3.084 2.228 4.002 . 0 0 "[ . 1 . 2]" 2
186 1 14 LYS H 1 14 LYS HG3 . . 4.530 4.289 3.654 4.398 . 0 0 "[ . 1 . 2]" 2
187 1 9 THR H 1 9 THR HB . . 3.560 3.483 3.469 3.509 . 0 0 "[ . 1 . 2]" 2
188 1 9 THR H 1 9 THR MG . . 4.030 3.589 3.564 3.611 . 0 0 "[ . 1 . 2]" 2
189 1 23 ASN HB3 1 26 CYS H . . 4.240 2.567 2.272 2.730 . 0 0 "[ . 1 . 2]" 2
190 1 26 CYS H 1 26 CYS HB2 . . 4.000 2.796 2.740 2.852 . 0 0 "[ . 1 . 2]" 2
191 1 25 VAL HB 1 26 CYS H . . 3.100 2.010 2.002 2.021 . 0 0 "[ . 1 . 2]" 2
192 1 25 VAL MG1 1 26 CYS H . . 3.770 3.104 3.094 3.135 . 0 0 "[ . 1 . 2]" 2
193 1 28 HIS HA 1 29 THR H . . 3.180 2.540 2.469 2.591 . 0 0 "[ . 1 . 2]" 2
194 1 29 THR H 1 29 THR HB . . 3.760 3.352 3.155 3.486 . 0 0 "[ . 1 . 2]" 2
195 1 28 HIS QB 1 29 THR H . . 3.280 2.192 2.060 2.328 . 0 0 "[ . 1 . 2]" 2
196 1 29 THR H 1 29 THR MG . . 4.130 3.807 3.656 3.922 . 0 0 "[ . 1 . 2]" 2
197 1 26 CYS H 1 27 GLY H . . 3.270 2.628 2.468 2.750 . 0 0 "[ . 1 . 2]" 2
198 1 50 TYR H 1 61 ILE MD . . 4.970 3.634 3.250 4.164 . 0 0 "[ . 1 . 2]" 2
199 1 42 ARG HG3 1 50 TYR H . . 5.060 4.630 4.522 4.813 . 0 0 "[ . 1 . 2]" 2
200 1 38 MET ME 1 50 TYR H . . 4.090 3.073 2.580 3.381 . 0 0 "[ . 1 . 2]" 2
201 1 50 TYR H 1 59 THR HA . . 4.990 4.829 4.663 4.922 . 0 0 "[ . 1 . 2]" 2
202 1 50 TYR H 1 50 TYR QE . . 4.720 3.946 3.856 4.112 . 0 0 "[ . 1 . 2]" 2
203 1 49 ALA H 1 50 TYR H . . 5.140 4.411 4.323 4.502 . 0 0 "[ . 1 . 2]" 2
204 1 50 TYR H 1 51 CYS H . . 4.770 4.499 4.459 4.524 . 0 0 "[ . 1 . 2]" 2
205 1 49 ALA H 1 49 ALA MB . . 3.340 2.218 2.137 2.320 . 0 0 "[ . 1 . 2]" 2
206 1 48 LYS HG3 1 49 ALA H . . 5.100 3.805 3.438 4.111 . 0 0 "[ . 1 . 2]" 2
207 1 48 LYS HB3 1 49 ALA H . . 4.170 4.030 3.867 4.172 0.002 20 0 "[ . 1 . 2]" 2
208 1 42 ARG HG3 1 49 ALA H . . 4.720 4.681 4.500 4.722 0.002 1 0 "[ . 1 . 2]" 2
209 1 48 LYS HB2 1 49 ALA H . . 3.690 2.752 2.468 3.018 . 0 0 "[ . 1 . 2]" 2
210 1 48 LYS HA 1 49 ALA H . . 2.970 2.304 2.212 2.427 . 0 0 "[ . 1 . 2]" 2
211 1 48 LYS H 1 49 ALA H . . 4.650 4.442 4.411 4.474 . 0 0 "[ . 1 . 2]" 2
212 1 45 ARG H 1 47 LYS H . . 4.500 3.264 3.108 3.440 . 0 0 "[ . 1 . 2]" 2
213 1 47 LYS H 1 48 LYS H . . 4.780 4.435 4.402 4.495 . 0 0 "[ . 1 . 2]" 2
214 1 39 ILE MG 1 43 GLN H . . 4.830 3.833 3.555 4.166 . 0 0 "[ . 1 . 2]" 2
215 1 43 GLN H 1 43 GLN HG3 . . 4.060 3.575 3.054 3.819 . 0 0 "[ . 1 . 2]" 2
216 1 39 ILE HA 1 42 ARG H . . 4.560 3.509 3.320 3.708 . 0 0 "[ . 1 . 2]" 2
217 1 40 GLU HG3 1 41 SER H . . 5.000 4.844 4.737 4.991 . 0 0 "[ . 1 . 2]" 2
218 1 39 ILE MD 1 40 GLU H . . 4.780 4.481 4.299 4.631 . 0 0 "[ . 1 . 2]" 2
219 1 36 VAL HA 1 40 GLU H . . 4.470 4.297 4.084 4.470 0.000 9 0 "[ . 1 . 2]" 2
220 1 39 ILE H 1 49 ALA MB . . 4.240 4.123 3.938 4.242 0.002 14 0 "[ . 1 . 2]" 2
221 1 35 ILE HG13 1 39 ILE H . . 4.580 4.319 4.274 4.371 . 0 0 "[ . 1 . 2]" 2
222 1 35 ILE HA 1 39 ILE H . . 4.100 3.688 3.618 3.745 . 0 0 "[ . 1 . 2]" 2
223 1 12 ILE MD 1 38 MET H . . 4.710 4.381 4.219 4.526 . 0 0 "[ . 1 . 2]" 2
224 1 12 ILE MG 1 38 MET H . . 5.200 4.649 4.580 4.720 . 0 0 "[ . 1 . 2]" 2
225 1 36 VAL MG1 1 38 MET H . . 5.500 4.816 4.803 4.845 . 0 0 "[ . 1 . 2]" 2
226 1 35 ILE MD 1 38 MET H . . 5.450 4.689 4.600 4.751 . 0 0 "[ . 1 . 2]" 2
227 1 35 ILE MG 1 38 MET H . . 5.310 4.984 4.971 4.998 . 0 0 "[ . 1 . 2]" 2
228 1 38 MET H 1 39 ILE HG13 . . 4.370 4.301 4.280 4.329 . 0 0 "[ . 1 . 2]" 2
229 1 37 ARG H 1 37 ARG HG2 . . 4.090 2.345 2.330 2.352 . 0 0 "[ . 1 . 2]" 2
230 1 33 ASP HA 1 37 ARG H . . 4.530 3.717 3.695 3.751 . 0 0 "[ . 1 . 2]" 2
231 1 34 ALA H 1 36 VAL H . . 4.760 3.618 3.614 3.625 . 0 0 "[ . 1 . 2]" 2
232 1 10 CYS H 1 17 MET H . . 4.500 4.476 4.304 4.502 0.002 9 0 "[ . 1 . 2]" 2
233 1 17 MET H 1 76 ILE MD . . 4.220 3.888 3.416 4.157 . 0 0 "[ . 1 . 2]" 2
234 1 12 ILE MG 1 35 ILE H . . 5.500 5.333 5.245 5.431 . 0 0 "[ . 1 . 2]" 2
235 1 35 ILE H 1 66 LEU MD1 . . 5.500 5.112 4.957 5.234 . 0 0 "[ . 1 . 2]" 2
236 1 30 TYR HB2 1 35 ILE H . . 4.330 3.849 3.799 3.927 . 0 0 "[ . 1 . 2]" 2
237 1 32 GLU HA 1 35 ILE H . . 4.620 3.794 3.790 3.799 . 0 0 "[ . 1 . 2]" 2
238 1 30 TYR HB3 1 35 ILE H . . 4.980 4.258 4.213 4.344 . 0 0 "[ . 1 . 2]" 2
239 1 35 ILE H 1 37 ARG H . . 5.060 4.288 4.277 4.300 . 0 0 "[ . 1 . 2]" 2
240 1 35 ILE H 1 38 MET H . . 5.500 4.718 4.714 4.722 . 0 0 "[ . 1 . 2]" 2
241 1 33 ASP H 1 35 ILE H . . 5.190 4.850 4.846 4.852 . 0 0 "[ . 1 . 2]" 2
242 1 34 ALA H 1 35 ILE MG . . 4.340 3.890 3.870 3.926 . 0 0 "[ . 1 . 2]" 2
243 1 12 ILE MG 1 34 ALA H . . 5.500 5.502 5.498 5.511 0.011 13 0 "[ . 1 . 2]" 2
244 1 34 ALA H 1 36 VAL MG2 . . 4.980 4.651 4.624 4.672 . 0 0 "[ . 1 . 2]" 2
245 1 34 ALA H 1 37 ARG H . . 5.460 4.426 4.421 4.437 . 0 0 "[ . 1 . 2]" 2
246 1 32 GLU H 1 34 ALA H . . 5.210 3.888 3.877 3.904 . 0 0 "[ . 1 . 2]" 2
247 1 19 LYS QD 1 33 ASP H . . 5.420 4.370 4.016 5.021 . 0 0 "[ . 1 . 2]" 2
248 1 33 ASP H 1 34 ALA MB . . 5.500 4.454 4.449 4.460 . 0 0 "[ . 1 . 2]" 2
249 1 32 GLU HB3 1 33 ASP H . . 3.280 1.947 1.944 1.949 . 0 0 "[ . 1 . 2]" 2
250 1 31 GLU HG2 1 33 ASP H . . 3.290 2.747 2.666 2.806 . 0 0 "[ . 1 . 2]" 2
251 1 33 ASP H 1 33 ASP HB2 . . 3.390 2.517 2.294 2.775 . 0 0 "[ . 1 . 2]" 2
252 1 21 VAL MG1 1 32 GLU H . . 4.480 3.551 3.444 3.687 . 0 0 "[ . 1 . 2]" 2
253 1 21 VAL MG2 1 32 GLU H . . 4.330 3.757 3.682 3.857 . 0 0 "[ . 1 . 2]" 2
254 1 19 LYS HB2 1 32 GLU H . . 4.370 2.892 2.634 3.146 . 0 0 "[ . 1 . 2]" 2
255 1 32 GLU H 1 32 GLU HG3 . . 4.230 4.233 4.226 4.238 0.008 14 0 "[ . 1 . 2]" 2
256 1 32 GLU H 1 33 ASP H . . 4.350 3.081 3.077 3.089 . 0 0 "[ . 1 . 2]" 2
257 1 31 GLU H 1 32 GLU H . . 5.500 4.586 4.568 4.595 . 0 0 "[ . 1 . 2]" 2
258 1 31 GLU H 1 34 ALA MB . . 4.680 2.497 2.454 2.534 . 0 0 "[ . 1 . 2]" 2
259 1 31 GLU H 1 31 GLU HB2 . . 3.640 2.874 2.846 2.925 . 0 0 "[ . 1 . 2]" 2
260 1 30 TYR HB2 1 31 GLU H . . 3.760 2.970 2.889 3.005 . 0 0 "[ . 1 . 2]" 2
261 1 31 GLU H 1 31 GLU HB3 . . 3.850 2.349 2.341 2.367 . 0 0 "[ . 1 . 2]" 2
262 1 30 TYR HB3 1 31 GLU H . . 3.920 2.337 2.296 2.446 . 0 0 "[ . 1 . 2]" 2
263 1 30 TYR H 1 31 GLU H . . 5.440 4.400 4.396 4.407 . 0 0 "[ . 1 . 2]" 2
264 1 30 TYR H 1 30 TYR HB2 . . 3.970 3.039 2.997 3.109 . 0 0 "[ . 1 . 2]" 2
265 1 28 HIS HD2 1 29 THR H . . 4.560 3.290 3.213 3.444 . 0 0 "[ . 1 . 2]" 2
266 1 25 VAL MG2 1 65 ASP H . . 5.140 4.758 4.351 4.962 . 0 0 "[ . 1 . 2]" 2
267 1 65 ASP H 1 66 LEU MD2 . . 5.450 4.553 4.243 4.729 . 0 0 "[ . 1 . 2]" 2
268 1 61 ILE MG 1 65 ASP H . . 5.250 4.647 4.549 4.732 . 0 0 "[ . 1 . 2]" 2
269 1 26 CYS H 1 28 HIS H . . 4.900 4.486 4.286 4.594 . 0 0 "[ . 1 . 2]" 2
270 1 23 ASN H 1 28 HIS H . . 4.540 4.026 3.936 4.156 . 0 0 "[ . 1 . 2]" 2
271 1 65 ASP H 1 66 LEU HG . . 3.800 3.575 3.429 3.672 . 0 0 "[ . 1 . 2]" 2
272 1 25 VAL MG2 1 27 GLY H . . 5.500 5.376 5.161 5.504 0.004 6 0 "[ . 1 . 2]" 2
273 1 22 LYS HG2 1 27 GLY H . . 5.500 4.302 4.071 4.937 . 0 0 "[ . 1 . 2]" 2
274 1 22 LYS HG3 1 27 GLY H . . 5.500 5.440 4.407 5.505 0.005 20 0 "[ . 1 . 2]" 2
275 1 22 LYS QD 1 27 GLY H . . 5.500 5.099 3.703 5.508 0.008 13 0 "[ . 1 . 2]" 2
276 1 25 VAL HB 1 27 GLY H . . 4.830 4.573 4.394 4.707 . 0 0 "[ . 1 . 2]" 2
277 1 23 ASN HB3 1 27 GLY H . . 4.440 2.125 1.969 2.506 . 0 0 "[ . 1 . 2]" 2
278 1 26 CYS HB3 1 27 GLY H . . 4.770 2.220 2.120 2.439 . 0 0 "[ . 1 . 2]" 2
279 1 25 VAL H 1 27 GLY H . . 4.450 4.246 3.905 4.450 0.000 10 0 "[ . 1 . 2]" 2
280 1 23 ASN H 1 27 GLY H . . 5.190 3.509 3.380 3.631 . 0 0 "[ . 1 . 2]" 2
281 1 26 CYS H 1 27 GLY HA2 . . 5.150 4.648 4.561 4.699 . 0 0 "[ . 1 . 2]" 2
282 1 24 LYS HG3 1 25 VAL H . . 4.600 4.154 3.203 4.427 . 0 0 "[ . 1 . 2]" 2
283 1 24 LYS H 1 25 VAL MG2 . . 4.040 3.498 3.271 3.812 . 0 0 "[ . 1 . 2]" 2
284 1 24 LYS H 1 24 LYS HG3 . . 3.900 2.846 2.462 3.580 . 0 0 "[ . 1 . 2]" 2
285 1 24 LYS H 1 24 LYS HG2 . . 3.640 2.442 1.948 2.704 . 0 0 "[ . 1 . 2]" 2
286 1 24 LYS H 1 24 LYS HB3 . . 3.750 3.443 2.565 3.682 . 0 0 "[ . 1 . 2]" 2
287 1 24 LYS H 1 24 LYS HB2 . . 3.750 2.852 2.629 3.621 . 0 0 "[ . 1 . 2]" 2
288 1 24 LYS H 1 65 ASP HB3 . . 4.480 2.433 2.130 2.899 . 0 0 "[ . 1 . 2]" 2
289 1 24 LYS H 1 65 ASP HB2 . . 4.480 4.093 3.799 4.488 0.008 17 0 "[ . 1 . 2]" 2
290 1 23 ASN H 1 66 LEU MD2 . . 4.990 4.508 4.215 4.989 . 0 0 "[ . 1 . 2]" 2
291 1 22 LYS HG2 1 23 ASN H . . 4.080 2.157 1.948 2.774 . 0 0 "[ . 1 . 2]" 2
292 1 22 LYS QB 1 23 ASN H . . 3.910 3.515 3.416 3.622 . 0 0 "[ . 1 . 2]" 2
293 1 23 ASN H 1 23 ASN HB3 . . 3.490 2.943 2.761 3.123 . 0 0 "[ . 1 . 2]" 2
294 1 23 ASN H 1 23 ASN HB2 . . 3.490 2.387 2.279 2.556 . 0 0 "[ . 1 . 2]" 2
295 1 23 ASN H 1 29 THR HA . . 4.090 3.828 3.638 3.978 . 0 0 "[ . 1 . 2]" 2
296 1 21 VAL MG1 1 22 LYS H . . 4.240 3.933 3.857 3.986 . 0 0 "[ . 1 . 2]" 2
297 1 22 LYS H 1 67 ILE MD . . 4.610 4.178 3.620 4.586 . 0 0 "[ . 1 . 2]" 2
298 1 21 VAL MG2 1 22 LYS H . . 4.210 4.021 3.854 4.122 . 0 0 "[ . 1 . 2]" 2
299 1 22 LYS H 1 22 LYS QB . . 3.150 2.351 2.293 2.399 . 0 0 "[ . 1 . 2]" 2
300 1 21 VAL HB 1 22 LYS H . . 3.450 3.268 3.100 3.405 . 0 0 "[ . 1 . 2]" 2
301 1 63 LYS H 1 63 LYS HB3 . . 3.620 2.913 2.845 2.978 . 0 0 "[ . 1 . 2]" 2
302 1 22 LYS H 1 69 ASP HB2 . . 3.670 3.012 2.724 3.294 . 0 0 "[ . 1 . 2]" 2
303 1 22 LYS H 1 22 LYS QE . . 5.030 4.537 4.181 5.034 0.004 8 0 "[ . 1 . 2]" 2
304 1 22 LYS H 1 68 GLN HA . . 4.400 3.653 3.409 4.085 . 0 0 "[ . 1 . 2]" 2
305 1 63 LYS H 1 64 SER H . . 4.700 2.701 2.695 2.707 . 0 0 "[ . 1 . 2]" 2
306 1 21 VAL H 1 21 VAL MG1 . . 3.900 3.012 2.892 3.080 . 0 0 "[ . 1 . 2]" 2
307 1 21 VAL H 1 21 VAL MG2 . . 3.240 2.019 1.942 2.168 . 0 0 "[ . 1 . 2]" 2
308 1 20 PRO HB2 1 21 VAL H . . 4.240 3.559 3.453 3.655 . 0 0 "[ . 1 . 2]" 2
309 1 20 PRO HB3 1 21 VAL H . . 4.090 4.019 3.947 4.085 . 0 0 "[ . 1 . 2]" 2
310 1 21 VAL H 1 29 THR HB . . 5.030 4.442 4.223 4.708 . 0 0 "[ . 1 . 2]" 2
311 1 21 VAL H 1 69 ASP H . . 5.040 4.911 4.775 5.018 . 0 0 "[ . 1 . 2]" 2
312 1 21 VAL H 1 30 TYR H . . 3.860 2.581 2.497 2.686 . 0 0 "[ . 1 . 2]" 2
313 1 21 VAL H 1 32 GLU H . . 4.700 4.670 4.562 4.702 0.002 9 0 "[ . 1 . 2]" 2
314 1 17 MET HB3 1 18 LYS H . . 4.090 3.153 2.859 3.622 . 0 0 "[ . 1 . 2]" 2
315 1 18 LYS H 1 18 LYS HG3 . . 3.970 3.670 2.292 3.971 0.001 17 0 "[ . 1 . 2]" 2
316 1 18 LYS H 1 18 LYS HB3 . . 3.770 3.720 3.647 3.774 0.004 10 0 "[ . 1 . 2]" 2
317 1 18 LYS H 1 18 LYS HB2 . . 3.770 2.615 2.478 2.689 . 0 0 "[ . 1 . 2]" 2
318 1 17 MET HG2 1 18 LYS H . . 4.830 4.505 4.134 4.690 . 0 0 "[ . 1 . 2]" 2
319 1 17 MET H 1 18 LYS H . . 5.310 4.454 4.276 4.533 . 0 0 "[ . 1 . 2]" 2
320 1 9 THR MG 1 16 GLU H . . 4.590 3.507 3.313 3.670 . 0 0 "[ . 1 . 2]" 2
321 1 15 GLU H 1 16 GLU H . . 4.500 4.392 4.357 4.445 . 0 0 "[ . 1 . 2]" 2
322 1 13 THR MG 1 15 GLU H . . 4.690 4.592 4.389 4.691 0.001 3 0 "[ . 1 . 2]" 2
323 1 13 THR HG1 1 15 GLU H . . 4.990 2.987 1.983 3.792 . 0 0 "[ . 1 . 2]" 2
324 1 9 THR MG 1 14 LYS H . . 5.300 5.297 5.267 5.304 0.004 15 0 "[ . 1 . 2]" 2
325 1 10 CYS H 1 14 LYS H . . 4.510 4.246 4.123 4.513 0.003 15 0 "[ . 1 . 2]" 2
326 1 12 ILE H 1 14 LYS H . . 4.410 3.116 3.070 3.194 . 0 0 "[ . 1 . 2]" 2
327 1 12 ILE H 1 13 THR H . . 3.720 2.565 2.465 2.621 . 0 0 "[ . 1 . 2]" 2
328 1 12 ILE H 1 12 ILE MD . . 4.150 3.658 3.571 3.796 . 0 0 "[ . 1 . 2]" 2
329 1 10 CYS H 1 17 MET HG2 . . 4.210 2.812 2.512 3.349 . 0 0 "[ . 1 . 2]" 2
330 1 10 CYS H 1 17 MET HG3 . . 4.120 3.054 2.707 3.277 . 0 0 "[ . 1 . 2]" 2
331 1 10 CYS H 1 15 GLU H . . 3.920 2.846 2.665 3.212 . 0 0 "[ . 1 . 2]" 2
332 1 9 THR H 1 17 MET ME . . 4.470 3.902 3.320 4.229 . 0 0 "[ . 1 . 2]" 2
333 1 8 PHE HB3 1 9 THR H . . 4.530 3.555 3.499 3.581 . 0 0 "[ . 1 . 2]" 2
334 1 8 PHE HB2 1 9 THR H . . 4.760 4.432 4.406 4.470 . 0 0 "[ . 1 . 2]" 2
335 1 9 THR H 1 16 GLU HA . . 5.140 5.018 4.951 5.060 . 0 0 "[ . 1 . 2]" 2
336 1 8 PHE QD 1 9 THR H . . 4.370 4.002 3.737 4.241 . 0 0 "[ . 1 . 2]" 2
337 1 8 PHE H 1 8 PHE HB2 . . 4.200 2.650 2.608 2.694 . 0 0 "[ . 1 . 2]" 2
338 1 8 PHE H 1 8 PHE QD . . 4.410 3.400 3.109 3.659 . 0 0 "[ . 1 . 2]" 2
339 1 51 CYS H 1 58 HIS H . . 5.500 5.495 5.405 5.505 0.005 17 0 "[ . 1 . 2]" 2
340 1 53 GLN H 1 53 GLN HG2 . . 4.640 4.574 4.498 4.644 0.004 17 0 "[ . 1 . 2]" 2
341 1 53 GLN H 1 56 CYS HB3 . . 4.900 4.442 4.184 4.593 . 0 0 "[ . 1 . 2]" 2
342 1 51 CYS HB3 1 53 GLN H . . 4.350 3.092 2.980 3.157 . 0 0 "[ . 1 . 2]" 2
343 1 30 TYR QD 1 53 GLN H . . 4.710 4.650 4.436 4.720 0.010 10 0 "[ . 1 . 2]" 2
344 1 53 GLN H 1 53 GLN HG3 . . 5.460 4.499 4.405 4.558 . 0 0 "[ . 1 . 2]" 2
345 1 54 ILE H 1 55 GLY H . . 4.980 4.379 4.314 4.504 . 0 0 "[ . 1 . 2]" 2
346 1 54 ILE HG13 1 55 GLY H . . 5.480 4.925 4.527 5.486 0.006 13 0 "[ . 1 . 2]" 2
347 1 54 ILE HB 1 55 GLY H . . 4.890 4.350 4.225 4.412 . 0 0 "[ . 1 . 2]" 2
348 1 53 GLN HG3 1 56 CYS H . . 5.100 4.504 3.689 5.040 . 0 0 "[ . 1 . 2]" 2
349 1 53 GLN HB3 1 56 CYS H . . 4.460 3.566 3.399 3.828 . 0 0 "[ . 1 . 2]" 2
350 1 54 ILE MG 1 56 CYS H . . 5.500 4.751 4.539 4.865 . 0 0 "[ . 1 . 2]" 2
351 1 54 ILE HA 1 56 CYS H . . 3.790 3.692 3.564 3.766 . 0 0 "[ . 1 . 2]" 2
352 1 56 CYS H 1 57 SER H . . 4.850 4.600 4.588 4.619 . 0 0 "[ . 1 . 2]" 2
353 1 57 SER H 1 58 HIS H . . 4.440 2.073 1.980 2.131 . 0 0 "[ . 1 . 2]" 2
354 1 58 HIS H 1 58 HIS HB3 . . 4.110 2.805 2.759 2.851 . 0 0 "[ . 1 . 2]" 2
355 1 26 CYS HB2 1 58 HIS H . . 5.500 5.502 5.465 5.511 0.011 1 0 "[ . 1 . 2]" 2
356 1 58 HIS H 1 58 HIS HB2 . . 4.110 2.287 2.256 2.320 . 0 0 "[ . 1 . 2]" 2
357 1 58 HIS H 1 59 THR H . . 4.860 4.645 4.642 4.647 . 0 0 "[ . 1 . 2]" 2
358 1 60 ASP HB3 1 61 ILE H . . 5.160 4.106 3.867 4.499 . 0 0 "[ . 1 . 2]" 2
359 1 60 ASP HB2 1 61 ILE H . . 5.160 4.584 4.405 4.651 . 0 0 "[ . 1 . 2]" 2
360 1 60 ASP H 1 61 ILE H . . 4.210 3.844 3.842 3.846 . 0 0 "[ . 1 . 2]" 2
361 1 61 ILE H 1 62 ARG H . . 4.500 4.354 4.334 4.372 . 0 0 "[ . 1 . 2]" 2
362 1 49 ALA H 1 61 ILE H . . 4.590 4.031 3.907 4.146 . 0 0 "[ . 1 . 2]" 2
363 1 62 ARG HB3 1 64 SER H . . 4.570 2.444 2.325 2.766 . 0 0 "[ . 1 . 2]" 2
364 1 62 ARG HB2 1 64 SER H . . 4.570 3.770 3.209 4.171 . 0 0 "[ . 1 . 2]" 2
365 1 65 ASP HB3 1 66 LEU H . . 4.400 4.329 4.272 4.406 0.006 17 0 "[ . 1 . 2]" 2
366 1 63 LYS HA 1 66 LEU H . . 4.240 4.041 3.945 4.144 . 0 0 "[ . 1 . 2]" 2
367 1 64 SER HA 1 66 LEU H . . 4.260 3.527 3.500 3.543 . 0 0 "[ . 1 . 2]" 2
368 1 24 LYS HG2 1 66 LEU H . . 5.500 5.296 5.133 5.509 0.009 17 0 "[ . 1 . 2]" 2
369 1 63 LYS HG2 1 66 LEU H . . 5.500 4.951 4.817 5.119 . 0 0 "[ . 1 . 2]" 2
370 1 66 LEU H 1 67 ILE H . . 4.690 4.378 4.326 4.468 . 0 0 "[ . 1 . 2]" 2
371 1 66 LEU MD2 1 67 ILE H . . 3.690 3.485 3.323 3.621 . 0 0 "[ . 1 . 2]" 2
372 1 67 ILE H 1 67 ILE HG13 . . 3.840 2.683 2.506 2.826 . 0 0 "[ . 1 . 2]" 2
373 1 67 ILE H 1 67 ILE HG12 . . 3.840 2.291 2.096 2.427 . 0 0 "[ . 1 . 2]" 2
374 1 67 ILE H 1 67 ILE HB . . 4.020 3.777 3.741 3.811 . 0 0 "[ . 1 . 2]" 2
375 1 66 LEU HB2 1 67 ILE H . . 4.310 4.291 4.189 4.313 0.003 7 0 "[ . 1 . 2]" 2
376 1 67 ILE H 1 68 GLN H . . 4.990 4.462 4.441 4.484 . 0 0 "[ . 1 . 2]" 2
377 1 24 LYS H 1 67 ILE H . . 5.060 4.863 4.483 5.064 0.004 12 0 "[ . 1 . 2]" 2
378 1 67 ILE MG 1 68 GLN H . . 3.850 3.509 3.470 3.545 . 0 0 "[ . 1 . 2]" 2
379 1 67 ILE HG12 1 68 GLN H . . 5.130 4.858 4.797 4.964 . 0 0 "[ . 1 . 2]" 2
380 1 67 ILE HG13 1 68 GLN H . . 5.130 3.965 3.871 4.163 . 0 0 "[ . 1 . 2]" 2
381 1 69 ASP H 1 72 LEU QB . . 4.720 4.570 4.243 4.701 . 0 0 "[ . 1 . 2]" 2
382 1 68 GLN H 1 69 ASP H . . 5.000 4.387 4.168 4.557 . 0 0 "[ . 1 . 2]" 2
383 1 22 LYS H 1 69 ASP H . . 4.300 3.194 2.917 3.357 . 0 0 "[ . 1 . 2]" 2
384 1 69 ASP H 1 70 GLU H . . 4.680 4.372 4.125 4.499 . 0 0 "[ . 1 . 2]" 2
385 1 75 ALA H 1 76 ILE H . . 3.460 2.820 2.617 2.968 . 0 0 "[ . 1 . 2]" 2
386 1 74 ARG H 1 75 ALA H . . 3.260 2.664 2.524 2.811 . 0 0 "[ . 1 . 2]" 2
387 1 77 GLU HB2 1 78 ASN H . . 3.650 3.017 2.745 3.168 . 0 0 "[ . 1 . 2]" 2
388 1 81 LYS QG 1 82 LYS H . . 4.130 2.110 2.002 2.200 . 0 0 "[ . 1 . 2]" 2
389 1 81 LYS QG 1 83 ARG H . . 4.660 4.533 4.413 4.645 . 0 0 "[ . 1 . 2]" 2
390 1 53 GLN H 1 53 GLN HB2 . . 3.080 2.301 2.148 2.537 . 0 0 "[ . 1 . 2]" 2
391 1 52 PRO QG 1 53 GLN H . . 3.250 2.884 2.797 2.983 . 0 0 "[ . 1 . 2]" 2
392 1 53 GLN H 1 53 GLN HB3 . . 3.470 2.804 2.532 3.004 . 0 0 "[ . 1 . 2]" 2
393 1 11 PRO HA 1 14 LYS H . . 4.770 4.149 3.956 4.243 . 0 0 "[ . 1 . 2]" 2
394 1 13 THR HB 1 14 LYS H . . 4.890 4.027 3.881 4.177 . 0 0 "[ . 1 . 2]" 2
395 1 13 THR H 1 15 GLU H . . 5.140 4.206 3.884 4.345 . 0 0 "[ . 1 . 2]" 2
396 1 9 THR HA 1 16 GLU H . . 4.710 4.539 4.433 4.640 . 0 0 "[ . 1 . 2]" 2
397 1 17 MET HA 1 18 LYS H . . 3.120 2.188 2.141 2.248 . 0 0 "[ . 1 . 2]" 2
398 1 17 MET HB3 1 19 LYS H . . 4.290 3.615 3.461 3.738 . 0 0 "[ . 1 . 2]" 2
399 1 19 LYS H 1 19 LYS QG . . 4.540 3.597 3.405 3.775 . 0 0 "[ . 1 . 2]" 2
400 1 19 LYS H 1 19 LYS QD . . 4.390 3.385 2.742 4.194 . 0 0 "[ . 1 . 2]" 2
401 1 19 LYS H 1 19 LYS HB2 . . 3.250 2.503 2.473 2.532 . 0 0 "[ . 1 . 2]" 2
402 1 19 LYS H 1 20 PRO HD3 . . 4.730 3.550 3.545 3.555 . 0 0 "[ . 1 . 2]" 2
403 1 19 LYS H 1 20 PRO HD2 . . 5.060 4.220 4.215 4.224 . 0 0 "[ . 1 . 2]" 2
404 1 19 LYS H 1 31 GLU HA . . 4.780 3.954 3.761 4.179 . 0 0 "[ . 1 . 2]" 2
405 1 19 LYS H 1 32 GLU H . . 5.060 3.519 3.482 3.557 . 0 0 "[ . 1 . 2]" 2
406 1 18 LYS H 1 19 LYS H . . 3.240 2.040 1.900 2.287 . 0 0 "[ . 1 . 2]" 2
407 1 30 TYR HH 1 53 GLN H . . 5.500 4.555 4.281 5.047 . 0 0 "[ . 1 . 2]" 2
408 1 8 PHE QD 1 76 ILE H . . 5.500 4.442 4.062 4.804 . 0 0 "[ . 1 . 2]" 2
409 1 8 PHE QE 1 76 ILE H . . 5.500 4.061 3.676 4.505 . 0 0 "[ . 1 . 2]" 2
410 1 76 ILE HG12 1 77 GLU H . . 5.350 5.057 4.992 5.136 . 0 0 "[ . 1 . 2]" 2
411 1 73 ARG HA 1 77 GLU H . . 4.870 4.628 4.400 4.846 . 0 0 "[ . 1 . 2]" 2
412 1 75 ALA H 1 77 GLU H . . 4.460 4.013 3.913 4.149 . 0 0 "[ . 1 . 2]" 2
413 1 62 ARG H 1 65 ASP HB2 . . 4.380 2.703 2.511 2.851 . 0 0 "[ . 1 . 2]" 2
414 1 65 ASP HB2 1 66 LEU H . . 4.400 4.073 4.020 4.102 . 0 0 "[ . 1 . 2]" 2
415 1 24 LYS H 1 66 LEU H . . 5.500 5.200 4.947 5.502 0.002 15 0 "[ . 1 . 2]" 2
416 1 21 VAL H 1 30 TYR QD . . 5.170 5.055 4.920 5.114 . 0 0 "[ . 1 . 2]" 2
417 1 21 VAL H 1 32 GLU HA . . 5.500 5.223 5.113 5.384 . 0 0 "[ . 1 . 2]" 2
418 1 21 VAL H 1 22 LYS QB . . 5.480 5.321 5.266 5.366 . 0 0 "[ . 1 . 2]" 2
419 1 8 PHE H 1 9 THR MG . . 5.250 4.418 4.355 4.466 . 0 0 "[ . 1 . 2]" 2
420 1 10 CYS H 1 13 THR H . . 5.500 5.218 5.041 5.329 . 0 0 "[ . 1 . 2]" 2
421 1 17 MET HG3 1 18 LYS H . . 5.500 5.335 5.150 5.500 . 0 0 "[ . 1 . 2]" 2
422 1 19 LYS H 1 31 GLU HG2 . . 5.470 4.962 4.758 5.128 . 0 0 "[ . 1 . 2]" 2
423 1 19 LYS H 1 32 GLU HB2 . . 5.500 4.294 4.157 4.441 . 0 0 "[ . 1 . 2]" 2
424 1 22 LYS H 1 67 ILE HG13 . . 5.060 2.849 2.408 3.212 . 0 0 "[ . 1 . 2]" 2
425 1 23 ASN H 1 26 CYS H . . 5.500 5.334 5.030 5.500 0.000 18 0 "[ . 1 . 2]" 2
426 1 23 ASN H 1 30 TYR QD . . 5.500 5.123 4.750 5.321 . 0 0 "[ . 1 . 2]" 2
427 1 23 ASN HD22 1 61 ILE HG13 . . 4.660 4.115 3.663 4.537 . 0 0 "[ . 1 . 2]" 2
428 1 24 LYS H 1 65 ASP HA . . 4.060 3.861 3.635 4.028 . 0 0 "[ . 1 . 2]" 2
429 1 23 ASN H 1 24 LYS H . . 5.070 4.533 4.378 4.597 . 0 0 "[ . 1 . 2]" 2
430 1 25 VAL H 1 26 CYS HA . . 5.500 5.264 5.237 5.332 . 0 0 "[ . 1 . 2]" 2
431 1 25 VAL H 1 65 ASP HA . . 5.500 5.126 4.862 5.267 . 0 0 "[ . 1 . 2]" 2
432 1 27 GLY H 1 28 HIS QB . . 5.200 3.797 3.720 3.907 . 0 0 "[ . 1 . 2]" 2
433 1 28 HIS H 1 29 THR H . . 4.660 4.601 4.578 4.624 . 0 0 "[ . 1 . 2]" 2
434 1 10 CYS HA 1 31 GLU H . . 5.500 4.369 4.291 4.465 . 0 0 "[ . 1 . 2]" 2
435 1 20 PRO HA 1 32 GLU H . . 4.790 4.307 4.021 4.512 . 0 0 "[ . 1 . 2]" 2
436 1 33 ASP H 1 36 VAL MG2 . . 5.170 4.127 4.023 4.169 . 0 0 "[ . 1 . 2]" 2
437 1 33 ASP H 1 36 VAL MG1 . . 5.500 5.535 5.530 5.545 0.045 15 0 "[ . 1 . 2]" 2
438 1 32 GLU HG2 1 33 ASP H . . 3.990 3.550 3.537 3.573 . 0 0 "[ . 1 . 2]" 2
439 1 31 GLU H 1 34 ALA H . . 5.500 4.432 4.391 4.463 . 0 0 "[ . 1 . 2]" 2
440 1 33 ASP HB3 1 37 ARG H . . 5.500 4.754 4.708 4.838 . 0 0 "[ . 1 . 2]" 2
441 1 37 ARG H 1 40 GLU HG3 . . 5.500 5.390 5.222 5.498 . 0 0 "[ . 1 . 2]" 2
442 1 37 ARG H 1 37 ARG QD . . 4.850 3.881 3.834 4.246 . 0 0 "[ . 1 . 2]" 2
443 1 36 VAL HA 1 38 MET H . . 5.060 4.223 4.205 4.239 . 0 0 "[ . 1 . 2]" 2
444 1 39 ILE HA 1 43 GLN H . . 5.450 3.855 3.623 4.061 . 0 0 "[ . 1 . 2]" 2
445 1 43 GLN H 1 45 ARG H . . 4.840 4.110 3.989 4.412 . 0 0 "[ . 1 . 2]" 2
446 1 53 GLN H 1 56 CYS HB2 . . 4.900 4.414 4.308 4.554 . 0 0 "[ . 1 . 2]" 2
447 1 54 ILE H 1 54 ILE HG13 . . 4.020 2.308 1.949 3.551 . 0 0 "[ . 1 . 2]" 2
448 1 58 HIS HD2 1 59 THR H . . 4.910 3.838 3.770 3.893 . 0 0 "[ . 1 . 2]" 2
449 1 61 ILE HG12 1 62 ARG H . . 4.660 4.391 4.318 4.472 . 0 0 "[ . 1 . 2]" 2
450 1 39 ILE MD 1 63 LYS H . . 4.930 3.060 2.916 3.214 . 0 0 "[ . 1 . 2]" 2
451 1 69 ASP HB3 1 73 ARG H . . 4.890 3.727 3.450 4.037 . 0 0 "[ . 1 . 2]" 2
452 1 72 LEU MD1 1 73 ARG H . . 5.370 4.706 4.532 4.850 . 0 0 "[ . 1 . 2]" 2
453 1 72 LEU MD2 1 73 ARG H . . 5.370 3.963 3.213 4.755 . 0 0 "[ . 1 . 2]" 2
454 1 74 ARG HD2 1 75 ALA H . . 5.500 5.297 5.000 5.500 . 0 0 "[ . 1 . 2]" 2
455 1 74 ARG HD3 1 75 ALA H . . 5.500 5.215 4.798 5.500 . 0 0 "[ . 1 . 2]" 2
456 1 75 ALA H 1 78 ASN HB2 . . 5.150 4.965 4.826 5.147 . 0 0 "[ . 1 . 2]" 2
457 1 10 CYS H 1 31 GLU HB2 . . 5.210 4.878 4.697 5.096 . 0 0 "[ . 1 . 2]" 2
458 1 13 THR H 1 14 LYS HA . . 4.910 4.769 4.666 4.823 . 0 0 "[ . 1 . 2]" 2
459 1 16 GLU H 1 17 MET H . . 4.720 4.634 4.627 4.642 . 0 0 "[ . 1 . 2]" 2
460 1 17 MET H 1 17 MET ME . . 4.230 4.160 4.023 4.231 0.001 4 0 "[ . 1 . 2]" 2
461 1 18 LYS H 1 18 LYS QD . . 4.080 3.867 2.105 4.085 0.005 9 0 "[ . 1 . 2]" 2
462 1 18 LYS H 1 18 LYS HG2 . . 3.970 2.755 2.278 3.972 0.002 8 0 "[ . 1 . 2]" 2
463 1 19 LYS H 1 20 PRO HB3 . . 5.500 5.500 5.497 5.501 0.001 6 0 "[ . 1 . 2]" 2
464 1 19 LYS H 1 31 GLU HG3 . . 4.400 3.255 3.043 3.401 . 0 0 "[ . 1 . 2]" 2
465 1 22 LYS H 1 67 ILE H . . 3.620 3.480 3.315 3.626 0.006 17 0 "[ . 1 . 2]" 2
466 1 24 LYS H 1 67 ILE MG . . 4.820 4.696 4.114 4.824 0.004 12 0 "[ . 1 . 2]" 2
467 1 43 GLN H 1 47 LYS H . . 5.140 4.404 4.281 4.581 . 0 0 "[ . 1 . 2]" 2
468 1 27 GLY H 1 28 HIS H . . 3.050 2.211 2.116 2.309 . 0 0 "[ . 1 . 2]" 2
469 1 17 MET ME 1 29 THR H . . 5.500 5.167 4.786 5.395 . 0 0 "[ . 1 . 2]" 2
470 1 29 THR H 1 30 TYR H . . 5.500 4.391 4.360 4.458 . 0 0 "[ . 1 . 2]" 2
471 1 23 ASN H 1 30 TYR H . . 5.500 5.389 5.122 5.502 0.002 7 0 "[ . 1 . 2]" 2
472 1 17 MET HB3 1 32 GLU H . . 5.500 4.778 4.493 5.062 . 0 0 "[ . 1 . 2]" 2
473 1 19 LYS HB2 1 33 ASP H . . 5.080 4.039 3.886 4.164 . 0 0 "[ . 1 . 2]" 2
474 1 32 GLU HA 1 34 ALA H . . 5.500 4.124 4.118 4.139 . 0 0 "[ . 1 . 2]" 2
475 1 35 ILE H 1 36 VAL HB . . 5.160 4.818 4.810 4.825 . 0 0 "[ . 1 . 2]" 2
476 1 35 ILE H 1 38 MET HB3 . . 5.500 4.925 4.861 5.166 . 0 0 "[ . 1 . 2]" 2
477 1 31 GLU H 1 35 ILE H . . 5.500 3.926 3.832 3.979 . 0 0 "[ . 1 . 2]" 2
478 1 32 GLU HA 1 36 VAL H . . 4.750 4.126 4.120 4.138 . 0 0 "[ . 1 . 2]" 2
479 1 38 MET HG2 1 39 ILE H . . 5.000 3.485 3.150 3.771 . 0 0 "[ . 1 . 2]" 2
480 1 41 SER H 1 43 GLN H . . 4.430 4.325 4.184 4.431 0.001 4 0 "[ . 1 . 2]" 2
481 1 45 ARG H 1 45 ARG QD . . 4.770 4.445 2.253 4.770 0.000 20 0 "[ . 1 . 2]" 2
482 1 54 ILE HG12 1 55 GLY H . . 5.480 5.018 4.632 5.346 . 0 0 "[ . 1 . 2]" 2
483 1 53 GLN HG2 1 56 CYS H . . 5.500 5.328 4.914 5.501 0.001 13 0 "[ . 1 . 2]" 2
484 1 56 CYS HA 1 57 SER H . . 3.220 2.307 2.268 2.368 . 0 0 "[ . 1 . 2]" 2
485 1 50 TYR HA 1 61 ILE H . . 4.110 3.746 3.647 3.956 . 0 0 "[ . 1 . 2]" 2
486 1 62 ARG H 1 63 LYS H . . 5.030 4.428 4.412 4.438 . 0 0 "[ . 1 . 2]" 2
487 1 63 LYS H 1 63 LYS HG3 . . 4.610 4.128 4.051 4.204 . 0 0 "[ . 1 . 2]" 2
488 1 62 ARG HB3 1 63 LYS H . . 4.540 3.138 2.934 3.386 . 0 0 "[ . 1 . 2]" 2
489 1 39 ILE MG 1 63 LYS H . . 3.670 3.538 3.293 3.671 0.001 18 0 "[ . 1 . 2]" 2
490 1 63 LYS HB2 1 64 SER H . . 4.310 3.799 3.716 3.858 . 0 0 "[ . 1 . 2]" 2
491 1 61 ILE MG 1 66 LEU H . . 5.500 5.490 5.435 5.504 0.004 14 0 "[ . 1 . 2]" 2
492 1 67 ILE HB 1 68 GLN H . . 3.630 2.432 2.366 2.655 . 0 0 "[ . 1 . 2]" 2
493 1 68 GLN H 1 68 GLN QB . . 3.100 2.546 2.484 2.592 . 0 0 "[ . 1 . 2]" 2
494 1 67 ILE HA 1 68 GLN H . . 2.980 2.381 2.298 2.407 . 0 0 "[ . 1 . 2]" 2
495 1 21 VAL MG2 1 69 ASP H . . 5.380 5.343 5.254 5.382 0.002 9 0 "[ . 1 . 2]" 2
496 1 20 PRO HB2 1 69 ASP H . . 4.800 4.214 3.936 4.532 . 0 0 "[ . 1 . 2]" 2
497 1 20 PRO HG2 1 69 ASP H . . 4.310 3.920 3.620 4.247 . 0 0 "[ . 1 . 2]" 2
498 1 70 GLU H 1 71 ALA H . . 3.330 2.511 2.296 2.778 . 0 0 "[ . 1 . 2]" 2
499 1 71 ALA H 1 72 LEU H . . 3.280 2.746 2.691 2.785 . 0 0 "[ . 1 . 2]" 2
500 1 77 GLU H 1 78 ASN H . . 3.160 2.532 2.375 2.689 . 0 0 "[ . 1 . 2]" 2
501 1 78 ASN H 1 78 ASN HB3 . . 3.230 3.010 2.616 3.218 . 0 0 "[ . 1 . 2]" 2
502 1 76 ILE MG 1 80 ASN H . . 4.950 4.039 3.767 4.348 . 0 0 "[ . 1 . 2]" 2
503 1 81 LYS H 1 81 LYS QG . . 4.130 2.413 2.284 2.493 . 0 0 "[ . 1 . 2]" 2
504 1 81 LYS QB 1 82 LYS H . . 3.760 3.557 3.502 3.587 . 0 0 "[ . 1 . 2]" 2
505 1 80 ASN HA 1 82 LYS H . . 4.560 3.922 3.732 4.168 . 0 0 "[ . 1 . 2]" 2
506 1 81 LYS QD 1 82 LYS H . . 4.300 3.114 2.768 3.519 . 0 0 "[ . 1 . 2]" 2
507 1 82 LYS QB 1 83 ARG H . . 4.010 2.722 2.481 2.941 . 0 0 "[ . 1 . 2]" 2
508 1 25 VAL MG2 1 58 HIS HE1 . . 5.100 4.806 4.522 5.107 0.007 14 0 "[ . 1 . 2]" 2
509 1 25 VAL MG1 1 58 HIS HE1 . . 4.480 2.655 2.502 2.825 . 0 0 "[ . 1 . 2]" 2
510 1 50 TYR HA 1 50 TYR QD . . 3.830 3.710 3.703 3.726 . 0 0 "[ . 1 . 2]" 2
511 1 8 PHE QD 1 72 LEU MD1 . . 4.400 3.442 2.553 3.940 . 0 0 "[ . 1 . 2]" 2
512 1 20 PRO HA 1 21 VAL H . . 3.130 2.154 2.150 2.163 . 0 0 "[ . 1 . 2]" 2
513 1 20 PRO HA 1 31 GLU HA . . 4.310 3.101 2.881 3.255 . 0 0 "[ . 1 . 2]" 2
514 1 20 PRO HA 1 21 VAL MG2 . . 4.380 3.722 3.599 3.857 . 0 0 "[ . 1 . 2]" 2
515 1 20 PRO HA 1 29 THR MG . . 4.660 3.532 3.007 4.055 . 0 0 "[ . 1 . 2]" 2
516 1 22 LYS HA 1 29 THR HA . . 3.410 2.396 2.151 2.546 . 0 0 "[ . 1 . 2]" 2
517 1 29 THR HA 1 29 THR MG . . 3.410 2.019 1.959 2.144 . 0 0 "[ . 1 . 2]" 2
518 1 21 VAL HA 1 22 LYS H . . 3.410 2.152 2.140 2.175 . 0 0 "[ . 1 . 2]" 2
519 1 21 VAL HA 1 29 THR MG . . 4.810 3.696 3.537 3.976 . 0 0 "[ . 1 . 2]" 2
520 1 28 HIS HA 1 28 HIS HD2 . . 3.560 2.324 2.206 2.500 . 0 0 "[ . 1 . 2]" 2
521 1 66 LEU HA 1 67 ILE H . . 3.270 2.146 2.139 2.168 . 0 0 "[ . 1 . 2]" 2
522 1 66 LEU HA 1 66 LEU HG . . 4.130 3.090 3.019 3.199 . 0 0 "[ . 1 . 2]" 2
523 1 50 TYR QE 1 52 PRO HA . . 4.200 3.729 3.577 3.792 . 0 0 "[ . 1 . 2]" 2
524 1 22 LYS HA 1 23 ASN H . . 3.430 2.247 2.197 2.314 . 0 0 "[ . 1 . 2]" 2
525 1 30 TYR HA 1 31 GLU H . . 3.530 2.554 2.530 2.560 . 0 0 "[ . 1 . 2]" 2
526 1 11 PRO HD2 1 30 TYR HA . . 3.800 3.475 3.389 3.557 . 0 0 "[ . 1 . 2]" 2
527 1 30 TYR HA 1 30 TYR QD . . 4.210 2.775 2.684 2.889 . 0 0 "[ . 1 . 2]" 2
528 1 11 PRO HD2 1 30 TYR QD . . 4.220 3.203 2.969 3.658 . 0 0 "[ . 1 . 2]" 2
529 1 39 ILE MD 1 63 LYS HB2 . . 3.330 2.664 2.379 2.950 . 0 0 "[ . 1 . 2]" 2
530 1 39 ILE H 1 39 ILE MD . . 3.840 3.370 3.352 3.452 . 0 0 "[ . 1 . 2]" 2
531 1 39 ILE MD 1 63 LYS HA . . 3.860 2.813 2.689 2.952 . 0 0 "[ . 1 . 2]" 2
532 1 36 VAL HA 1 39 ILE MD . . 3.510 3.176 3.101 3.460 . 0 0 "[ . 1 . 2]" 2
533 1 39 ILE HA 1 39 ILE MD . . 3.940 3.872 3.856 3.876 . 0 0 "[ . 1 . 2]" 2
534 1 39 ILE MD 1 63 LYS HB3 . . 4.460 4.077 3.848 4.327 . 0 0 "[ . 1 . 2]" 2
535 1 39 ILE MD 1 66 LEU HG . . 4.660 3.725 3.574 3.872 . 0 0 "[ . 1 . 2]" 2
536 1 39 ILE HB 1 39 ILE MD . . 3.050 2.338 2.321 2.368 . 0 0 "[ . 1 . 2]" 2
537 1 39 ILE MD 1 63 LYS HG3 . . 3.890 2.590 2.351 2.874 . 0 0 "[ . 1 . 2]" 2
538 1 35 ILE MG 1 39 ILE MD . . 3.660 3.335 3.285 3.412 . 0 0 "[ . 1 . 2]" 2
539 1 39 ILE MD 1 49 ALA MB . . 3.910 3.289 3.124 3.599 . 0 0 "[ . 1 . 2]" 2
540 1 35 ILE HG13 1 39 ILE MD . . 3.340 1.926 1.899 1.962 . 0 0 "[ . 1 . 2]" 2
541 1 39 ILE MD 1 39 ILE MG . . 2.680 2.026 1.981 2.095 . 0 0 "[ . 1 . 2]" 2
542 1 8 PHE HB3 1 76 ILE MD . . 3.660 3.271 2.810 3.647 . 0 0 "[ . 1 . 2]" 2
543 1 8 PHE QD 1 76 ILE MD . . 4.140 3.356 3.095 3.501 . 0 0 "[ . 1 . 2]" 2
544 1 8 PHE HB2 1 76 ILE MD . . 4.060 2.839 2.273 3.353 . 0 0 "[ . 1 . 2]" 2
545 1 20 PRO HG3 1 76 ILE MD . . 3.020 2.281 1.912 2.982 . 0 0 "[ . 1 . 2]" 2
546 1 12 ILE MD 1 30 TYR HB3 . . 3.830 2.868 2.726 3.044 . 0 0 "[ . 1 . 2]" 2
547 1 12 ILE MD 1 38 MET ME . . 3.180 2.083 1.925 2.322 . 0 0 "[ . 1 . 2]" 2
548 1 12 ILE MD 1 35 ILE H . . 3.810 3.748 3.603 3.810 0.000 9 0 "[ . 1 . 2]" 2
549 1 12 ILE MD 1 30 TYR QD . . 4.320 3.780 3.517 3.921 . 0 0 "[ . 1 . 2]" 2
550 1 12 ILE MD 1 35 ILE HA . . 3.300 3.287 3.242 3.307 0.007 14 0 "[ . 1 . 2]" 2
551 1 12 ILE HA 1 12 ILE MD . . 3.940 3.872 3.849 3.882 . 0 0 "[ . 1 . 2]" 2
552 1 12 ILE HB 1 12 ILE MD . . 3.120 2.369 2.325 2.425 . 0 0 "[ . 1 . 2]" 2
553 1 12 ILE MD 1 38 MET HB2 . . 3.330 2.768 2.595 2.937 . 0 0 "[ . 1 . 2]" 2
554 1 12 ILE MD 1 34 ALA MB . . 2.720 2.103 1.923 2.227 . 0 0 "[ . 1 . 2]" 2
555 1 12 ILE MD 1 35 ILE MD . . 3.370 3.371 3.325 3.379 0.009 2 0 "[ . 1 . 2]" 2
556 1 22 LYS HG2 1 27 GLY HA3 . . 5.500 4.148 4.018 4.773 . 0 0 "[ . 1 . 2]" 2
557 1 22 LYS HG3 1 27 GLY HA3 . . 5.500 4.612 4.017 4.747 . 0 0 "[ . 1 . 2]" 2
558 1 30 TYR HH 1 61 ILE MD . . 4.380 2.702 1.982 3.490 . 0 0 "[ . 1 . 2]" 2
559 1 61 ILE H 1 61 ILE MD . . 4.470 4.030 3.952 4.143 . 0 0 "[ . 1 . 2]" 2
560 1 23 ASN HD21 1 61 ILE MD . . 4.160 3.688 2.577 4.156 . 0 0 "[ . 1 . 2]" 2
561 1 23 ASN HD22 1 61 ILE MD . . 4.160 3.790 3.367 4.115 . 0 0 "[ . 1 . 2]" 2
562 1 51 CYS HA 1 61 ILE MD . . 3.440 1.958 1.926 2.016 . 0 0 "[ . 1 . 2]" 2
563 1 61 ILE HA 1 61 ILE MD . . 4.020 3.856 3.823 3.878 . 0 0 "[ . 1 . 2]" 2
564 1 52 PRO HD3 1 61 ILE MD . . 4.250 2.520 2.409 2.662 . 0 0 "[ . 1 . 2]" 2
565 1 51 CYS HB2 1 61 ILE MD . . 3.770 3.773 3.770 3.779 0.009 12 0 "[ . 1 . 2]" 2
566 1 61 ILE HB 1 61 ILE MD . . 3.580 2.400 2.307 2.455 . 0 0 "[ . 1 . 2]" 2
567 1 35 ILE MD 1 61 ILE MD . . 3.620 2.792 2.712 2.935 . 0 0 "[ . 1 . 2]" 2
568 1 30 TYR QD 1 35 ILE MD . . 4.010 3.144 2.926 3.371 . 0 0 "[ . 1 . 2]" 2
569 1 35 ILE HA 1 35 ILE MD . . 3.120 2.017 1.954 2.140 . 0 0 "[ . 1 . 2]" 2
570 1 30 TYR HB3 1 35 ILE MD . . 4.540 4.250 4.045 4.374 . 0 0 "[ . 1 . 2]" 2
571 1 35 ILE MD 1 52 PRO HD2 . . 4.500 4.496 4.385 4.513 0.013 14 0 "[ . 1 . 2]" 2
572 1 30 TYR HB2 1 35 ILE MD . . 4.210 3.670 3.568 3.753 . 0 0 "[ . 1 . 2]" 2
573 1 35 ILE MD 1 38 MET HB3 . . 3.460 3.203 3.059 3.302 . 0 0 "[ . 1 . 2]" 2
574 1 35 ILE MD 1 52 PRO QG . . 3.770 3.613 3.519 3.688 . 0 0 "[ . 1 . 2]" 2
575 1 35 ILE HB 1 35 ILE MD . . 3.060 2.351 2.303 2.385 . 0 0 "[ . 1 . 2]" 2
576 1 35 ILE MD 1 39 ILE MD . . 3.470 2.307 2.170 2.484 . 0 0 "[ . 1 . 2]" 2
577 1 35 ILE MD 1 61 ILE MG . . 3.460 2.215 1.958 2.400 . 0 0 "[ . 1 . 2]" 2
578 1 24 LYS QE 1 67 ILE MD . . 4.960 3.957 1.904 4.725 . 0 0 "[ . 1 . 2]" 2
579 1 54 ILE HA 1 54 ILE MD . . 4.400 3.524 1.969 3.881 . 0 0 "[ . 1 . 2]" 2
580 1 45 ARG HA 1 45 ARG QD . . 3.900 3.251 1.973 3.866 . 0 0 "[ . 1 . 2]" 2
581 1 45 ARG HB3 1 45 ARG QD . . 3.890 2.206 1.974 3.302 . 0 0 "[ . 1 . 2]" 2
582 1 20 PRO HD2 1 73 ARG HD3 . . 4.640 3.769 2.892 4.623 . 0 0 "[ . 1 . 2]" 2
583 1 30 TYR HB3 1 35 ILE HB . . 3.990 3.730 3.682 3.778 . 0 0 "[ . 1 . 2]" 2
584 1 30 TYR HB2 1 35 ILE HB . . 3.380 2.614 2.577 2.689 . 0 0 "[ . 1 . 2]" 2
585 1 21 VAL MG2 1 30 TYR HB2 . . 3.870 2.747 2.666 2.866 . 0 0 "[ . 1 . 2]" 2
586 1 66 LEU HB2 1 66 LEU MD1 . . 3.210 2.292 2.235 2.370 . 0 0 "[ . 1 . 2]" 2
587 1 21 VAL HB 1 66 LEU HB3 . . 3.760 3.231 3.077 3.427 . 0 0 "[ . 1 . 2]" 2
588 1 66 LEU HB3 1 66 LEU MD1 . . 3.260 2.400 2.337 2.439 . 0 0 "[ . 1 . 2]" 2
589 1 22 LYS QE 1 27 GLY HA2 . . 4.450 3.158 2.947 3.378 . 0 0 "[ . 1 . 2]" 2
590 1 22 LYS QE 1 27 GLY HA3 . . 4.450 4.382 4.168 4.452 0.002 9 0 "[ . 1 . 2]" 2
591 1 22 LYS QB 1 22 LYS QE . . 3.420 2.180 1.958 2.804 . 0 0 "[ . 1 . 2]" 2
592 1 22 LYS QE 1 67 ILE MD . . 4.020 2.210 1.905 2.738 . 0 0 "[ . 1 . 2]" 2
593 1 69 ASP HB3 1 72 LEU QB . . 3.460 2.385 2.093 2.597 . 0 0 "[ . 1 . 2]" 2
594 1 20 PRO HB2 1 72 LEU QB . . 3.990 2.685 2.417 2.965 . 0 0 "[ . 1 . 2]" 2
595 1 20 PRO HG3 1 72 LEU QB . . 4.450 2.683 1.999 3.362 . 0 0 "[ . 1 . 2]" 2
596 1 20 PRO HG2 1 72 LEU QB . . 4.220 2.751 2.396 3.071 . 0 0 "[ . 1 . 2]" 2
597 1 42 ARG HA 1 42 ARG HD3 . . 3.780 2.671 2.316 3.103 . 0 0 "[ . 1 . 2]" 2
598 1 42 ARG HD3 1 47 LYS HB2 . . 3.920 3.081 2.557 3.842 . 0 0 "[ . 1 . 2]" 2
599 1 42 ARG HD3 1 47 LYS QD . . 4.030 2.168 1.986 4.032 0.002 20 0 "[ . 1 . 2]" 2
600 1 65 ASP H 1 65 ASP HB3 . . 4.000 3.557 3.507 3.629 . 0 0 "[ . 1 . 2]" 2
601 1 42 ARG HA 1 42 ARG HD2 . . 4.100 4.009 3.527 4.103 0.003 13 0 "[ . 1 . 2]" 2
602 1 23 ASN HB2 1 27 GLY H . . 4.440 3.308 3.008 3.707 . 0 0 "[ . 1 . 2]" 2
603 1 67 ILE HB 1 67 ILE MD . . 3.300 2.349 2.191 2.438 . 0 0 "[ . 1 . 2]" 2
604 1 33 ASP H 1 33 ASP HB3 . . 3.770 3.581 3.552 3.595 . 0 0 "[ . 1 . 2]" 2
605 1 33 ASP HB3 1 34 ALA H . . 4.400 3.812 3.585 4.021 . 0 0 "[ . 1 . 2]" 2
606 1 60 ASP H 1 60 ASP HB2 . . 4.200 2.827 2.632 3.361 . 0 0 "[ . 1 . 2]" 2
607 1 60 ASP H 1 60 ASP HB3 . . 4.200 3.339 2.714 3.883 . 0 0 "[ . 1 . 2]" 2
608 1 22 LYS QB 1 69 ASP HB2 . . 3.490 2.378 1.967 2.918 . 0 0 "[ . 1 . 2]" 2
609 1 29 THR HB 1 30 TYR H . . 3.860 3.334 3.144 3.561 . 0 0 "[ . 1 . 2]" 2
610 1 50 TYR HB2 1 51 CYS H . . 4.110 2.621 2.600 2.683 . 0 0 "[ . 1 . 2]" 2
611 1 50 TYR H 1 50 TYR HB2 . . 4.070 3.685 3.653 3.737 . 0 0 "[ . 1 . 2]" 2
612 1 50 TYR HB2 1 59 THR HA . . 3.910 2.224 2.196 2.298 . 0 0 "[ . 1 . 2]" 2
613 1 12 ILE HB 1 34 ALA MB . . 3.350 2.228 2.173 2.310 . 0 0 "[ . 1 . 2]" 2
614 1 12 ILE H 1 12 ILE HB . . 3.710 2.549 2.528 2.580 . 0 0 "[ . 1 . 2]" 2
615 1 12 ILE HB 1 13 THR H . . 3.420 2.063 1.973 2.191 . 0 0 "[ . 1 . 2]" 2
616 1 39 ILE H 1 39 ILE HB . . 3.200 2.590 2.574 2.608 . 0 0 "[ . 1 . 2]" 2
617 1 36 VAL HA 1 39 ILE HB . . 3.560 3.553 3.534 3.562 0.002 13 0 "[ . 1 . 2]" 2
618 1 8 PHE HB3 1 16 GLU QG . . 4.810 4.787 4.621 4.811 0.001 16 0 "[ . 1 . 2]" 2
619 1 61 ILE HB 1 62 ARG H . . 4.210 4.095 4.025 4.131 . 0 0 "[ . 1 . 2]" 2
620 1 75 ALA HA 1 78 ASN HB3 . . 3.960 3.512 2.677 3.893 . 0 0 "[ . 1 . 2]" 2
621 1 8 PHE HB2 1 16 GLU QG . . 3.950 3.905 3.783 3.953 0.003 15 0 "[ . 1 . 2]" 2
622 1 16 GLU QG 1 76 ILE MG . . 3.670 3.459 3.116 3.674 0.004 17 0 "[ . 1 . 2]" 2
623 1 73 ARG HA 1 76 ILE HB . . 4.130 3.571 3.228 4.034 . 0 0 "[ . 1 . 2]" 2
624 1 76 ILE HB 1 76 ILE MD . . 3.100 2.296 2.203 2.411 . 0 0 "[ . 1 . 2]" 2
625 1 35 ILE H 1 35 ILE HB . . 3.990 2.465 2.445 2.477 . 0 0 "[ . 1 . 2]" 2
626 1 13 THR HB 1 15 GLU HG2 . . 4.240 3.166 2.008 4.204 . 0 0 "[ . 1 . 2]" 2
627 1 13 THR HB 1 15 GLU H . . 4.210 3.826 3.463 4.202 . 0 0 "[ . 1 . 2]" 2
628 1 13 THR HB 1 15 GLU HG3 . . 4.240 2.904 2.382 3.499 . 0 0 "[ . 1 . 2]" 2
629 1 40 GLU HA 1 40 GLU HG3 . . 3.960 3.580 3.405 3.733 . 0 0 "[ . 1 . 2]" 2
630 1 36 VAL MG1 1 40 GLU HG2 . . 4.510 4.116 3.740 4.422 . 0 0 "[ . 1 . 2]" 2
631 1 39 ILE MG 1 40 GLU HG2 . . 4.750 3.642 3.497 3.857 . 0 0 "[ . 1 . 2]" 2
632 1 77 GLU H 1 77 GLU HG3 . . 4.250 3.285 2.974 4.155 . 0 0 "[ . 1 . 2]" 2
633 1 36 VAL HA 1 36 VAL MG1 . . 3.260 2.433 2.397 2.441 . 0 0 "[ . 1 . 2]" 2
634 1 32 GLU HG3 1 36 VAL MG2 . . 3.680 3.094 2.969 3.165 . 0 0 "[ . 1 . 2]" 2
635 1 21 VAL MG1 1 32 GLU HG2 . . 4.430 4.316 4.166 4.433 0.003 15 0 "[ . 1 . 2]" 2
636 1 22 LYS QB 1 67 ILE MD . . 3.980 2.748 2.119 3.292 . 0 0 "[ . 1 . 2]" 2
637 1 31 GLU HG2 1 34 ALA MB . . 3.710 2.735 2.694 2.789 . 0 0 "[ . 1 . 2]" 2
638 1 15 GLU HA 1 15 GLU HG3 . . 4.200 3.598 3.550 3.735 . 0 0 "[ . 1 . 2]" 2
639 1 31 GLU HG3 1 34 ALA MB . . 4.490 3.891 3.857 3.942 . 0 0 "[ . 1 . 2]" 2
640 1 31 GLU HG3 1 33 ASP H . . 4.280 2.960 2.914 3.047 . 0 0 "[ . 1 . 2]" 2
641 1 17 MET H 1 17 MET HG2 . . 4.200 3.253 3.089 3.707 . 0 0 "[ . 1 . 2]" 2
642 1 47 LYS HB2 1 48 LYS H . . 4.030 3.656 3.613 3.667 . 0 0 "[ . 1 . 2]" 2
643 1 43 GLN HA 1 43 GLN HG2 . . 3.990 2.085 2.017 2.293 . 0 0 "[ . 1 . 2]" 2
644 1 39 ILE HA 1 42 ARG HB2 . . 3.800 2.823 2.568 3.002 . 0 0 "[ . 1 . 2]" 2
645 1 39 ILE HA 1 39 ILE HG13 . . 3.900 2.893 2.877 2.954 . 0 0 "[ . 1 . 2]" 2
646 1 39 ILE HA 1 49 ALA MB . . 3.420 2.701 2.485 2.877 . 0 0 "[ . 1 . 2]" 2
647 1 39 ILE HA 1 39 ILE HG12 . . 3.380 2.640 2.590 2.652 . 0 0 "[ . 1 . 2]" 2
648 1 68 GLN H 1 68 GLN HG2 . . 4.180 3.411 3.171 3.706 . 0 0 "[ . 1 . 2]" 2
649 1 76 ILE HA 1 76 ILE HG13 . . 3.570 2.931 2.845 3.050 . 0 0 "[ . 1 . 2]" 2
650 1 76 ILE HA 1 76 ILE MG . . 3.440 2.317 2.278 2.381 . 0 0 "[ . 1 . 2]" 2
651 1 20 PRO HB3 1 72 LEU MD1 . . 4.760 3.428 2.077 4.723 . 0 0 "[ . 1 . 2]" 2
652 1 20 PRO HB2 1 69 ASP HB3 . . 3.960 3.076 2.764 3.412 . 0 0 "[ . 1 . 2]" 2
653 1 25 VAL HA 1 25 VAL MG2 . . 3.160 2.438 2.385 2.474 . 0 0 "[ . 1 . 2]" 2
654 1 25 VAL HA 1 25 VAL MG1 . . 3.190 2.282 2.250 2.325 . 0 0 "[ . 1 . 2]" 2
655 1 38 MET HB2 1 39 ILE H . . 4.310 3.737 3.588 3.798 . 0 0 "[ . 1 . 2]" 2
656 1 35 ILE HA 1 38 MET HB2 . . 3.870 3.651 3.400 3.738 . 0 0 "[ . 1 . 2]" 2
657 1 38 MET H 1 38 MET HB3 . . 3.880 2.412 2.361 2.613 . 0 0 "[ . 1 . 2]" 2
658 1 19 LYS HB3 1 21 VAL MG1 . . 3.450 3.398 3.281 3.451 0.001 18 0 "[ . 1 . 2]" 2
659 1 19 LYS HB2 1 19 LYS QD . . 3.130 2.090 1.983 2.187 . 0 0 "[ . 1 . 2]" 2
660 1 12 ILE HA 1 12 ILE HG12 . . 3.960 2.634 2.569 2.696 . 0 0 "[ . 1 . 2]" 2
661 1 81 LYS QB 1 81 LYS QD . . 3.390 2.096 1.975 2.272 . 0 0 "[ . 1 . 2]" 2
662 1 38 MET HA 1 38 MET HG2 . . 3.780 3.179 2.569 3.696 . 0 0 "[ . 1 . 2]" 2
663 1 38 MET HA 1 38 MET HG3 . . 3.780 2.821 2.302 3.373 . 0 0 "[ . 1 . 2]" 2
664 1 12 ILE MG 1 13 THR HA . . 4.110 3.477 3.414 3.607 . 0 0 "[ . 1 . 2]" 2
665 1 50 TYR QD 1 52 PRO HA . . 4.430 3.490 3.337 3.564 . 0 0 "[ . 1 . 2]" 2
666 1 54 ILE HA 1 54 ILE MG . . 3.490 2.310 2.252 2.388 . 0 0 "[ . 1 . 2]" 2
667 1 41 SER QB 1 42 ARG HG2 . . 3.950 3.296 3.162 3.499 . 0 0 "[ . 1 . 2]" 2
668 1 51 CYS HB3 1 61 ILE MD . . 4.320 4.175 4.089 4.250 . 0 0 "[ . 1 . 2]" 2
669 1 51 CYS H 1 51 CYS HB3 . . 3.520 3.429 3.322 3.461 . 0 0 "[ . 1 . 2]" 2
670 1 10 CYS HB2 1 13 THR H . . 4.490 4.161 4.063 4.218 . 0 0 "[ . 1 . 2]" 2
671 1 10 CYS HB2 1 17 MET HG2 . . 3.790 2.000 1.998 2.001 . 0 0 "[ . 1 . 2]" 2
672 1 10 CYS H 1 10 CYS HB2 . . 3.630 2.508 2.414 2.559 . 0 0 "[ . 1 . 2]" 2
673 1 10 CYS HB3 1 17 MET HG2 . . 3.790 3.545 3.447 3.665 . 0 0 "[ . 1 . 2]" 2
674 1 45 ARG HB2 1 47 LYS QG . . 4.070 4.049 3.911 4.072 0.002 8 0 "[ . 1 . 2]" 2
675 1 45 ARG HB2 1 45 ARG QD . . 3.800 2.942 2.203 3.371 . 0 0 "[ . 1 . 2]" 2
676 1 37 ARG H 1 37 ARG HB2 . . 3.810 3.617 3.613 3.621 . 0 0 "[ . 1 . 2]" 2
677 1 37 ARG HB2 1 37 ARG QD . . 3.480 2.565 2.283 2.911 . 0 0 "[ . 1 . 2]" 2
678 1 37 ARG HA 1 37 ARG HB3 . . 2.930 2.552 2.547 2.554 . 0 0 "[ . 1 . 2]" 2
679 1 32 GLU HB2 1 33 ASP H . . 4.360 3.379 3.372 3.385 . 0 0 "[ . 1 . 2]" 2
680 1 21 VAL MG2 1 32 GLU HB2 . . 4.230 4.234 4.223 4.238 0.008 11 0 "[ . 1 . 2]" 2
681 1 21 VAL MG1 1 32 GLU HB3 . . 4.390 4.394 4.390 4.405 0.015 20 0 "[ . 1 . 2]" 2
682 1 24 LYS QD 1 67 ILE MD . . 3.540 3.067 2.652 3.542 0.002 15 0 "[ . 1 . 2]" 2
683 1 36 VAL MG2 1 63 LYS QD . . 4.190 4.190 4.178 4.196 0.006 6 0 "[ . 1 . 2]" 2
684 1 24 LYS QD 1 67 ILE MG . . 3.630 2.368 1.901 3.411 . 0 0 "[ . 1 . 2]" 2
685 1 32 GLU HA 1 32 GLU HG3 . . 3.560 2.401 2.327 2.449 . 0 0 "[ . 1 . 2]" 2
686 1 32 GLU HA 1 32 GLU HG2 . . 3.560 2.970 2.904 3.066 . 0 0 "[ . 1 . 2]" 2
687 1 32 GLU HA 1 35 ILE MG . . 3.270 2.240 2.227 2.259 . 0 0 "[ . 1 . 2]" 2
688 1 21 VAL MG2 1 32 GLU HA . . 3.150 2.784 2.688 2.972 . 0 0 "[ . 1 . 2]" 2
689 1 21 VAL MG1 1 32 GLU HA . . 3.750 2.637 2.423 2.828 . 0 0 "[ . 1 . 2]" 2
690 1 70 GLU H 1 70 GLU HB2 . . 3.680 2.269 2.063 2.929 . 0 0 "[ . 1 . 2]" 2
691 1 77 GLU H 1 77 GLU HB3 . . 3.550 3.462 3.401 3.515 . 0 0 "[ . 1 . 2]" 2
692 1 35 ILE HG13 1 66 LEU MD1 . . 3.250 2.139 2.039 2.282 . 0 0 "[ . 1 . 2]" 2
693 1 61 ILE HA 1 61 ILE HG13 . . 4.050 3.007 2.964 3.093 . 0 0 "[ . 1 . 2]" 2
694 1 61 ILE HA 1 61 ILE HG12 . . 4.070 2.589 2.520 2.639 . 0 0 "[ . 1 . 2]" 2
695 1 61 ILE HA 1 61 ILE MG . . 3.480 2.296 2.239 2.352 . 0 0 "[ . 1 . 2]" 2
696 1 40 GLU H 1 40 GLU HB3 . . 3.670 3.558 3.519 3.591 . 0 0 "[ . 1 . 2]" 2
697 1 35 ILE HG13 1 35 ILE MG . . 3.330 2.409 2.399 2.425 . 0 0 "[ . 1 . 2]" 2
698 1 35 ILE HG13 1 39 ILE HG13 . . 3.870 3.017 2.958 3.075 . 0 0 "[ . 1 . 2]" 2
699 1 35 ILE HG12 1 39 ILE MD . . 4.120 2.998 2.928 3.055 . 0 0 "[ . 1 . 2]" 2
700 1 35 ILE HG12 1 61 ILE MG . . 4.640 3.514 3.349 3.633 . 0 0 "[ . 1 . 2]" 2
701 1 35 ILE HG12 1 66 LEU MD2 . . 3.160 2.036 1.900 2.220 . 0 0 "[ . 1 . 2]" 2
702 1 50 TYR HA 1 59 THR HA . . 3.360 2.261 2.015 2.382 . 0 0 "[ . 1 . 2]" 2
703 1 50 TYR HB3 1 59 THR HA . . 3.460 2.483 2.429 2.587 . 0 0 "[ . 1 . 2]" 2
704 1 44 LYS HB3 1 44 LYS QD . . 3.770 2.877 2.013 3.424 . 0 0 "[ . 1 . 2]" 2
705 1 47 LYS HB2 1 47 LYS QD . . 3.900 2.668 2.259 3.069 . 0 0 "[ . 1 . 2]" 2
706 1 46 LYS HA 1 46 LYS QD . . 4.140 3.809 2.844 4.094 . 0 0 "[ . 1 . 2]" 2
707 1 9 THR HA 1 16 GLU HA . . 3.340 2.646 2.505 2.712 . 0 0 "[ . 1 . 2]" 2
708 1 63 LYS HA 1 63 LYS HG2 . . 4.030 2.568 2.396 2.703 . 0 0 "[ . 1 . 2]" 2
709 1 63 LYS HA 1 66 LEU MD1 . . 3.380 2.053 1.933 2.109 . 0 0 "[ . 1 . 2]" 2
710 1 82 LYS HA 1 82 LYS QD . . 4.320 3.555 2.237 4.140 . 0 0 "[ . 1 . 2]" 2
711 1 63 LYS HA 1 66 LEU HG . . 3.310 2.327 1.999 2.582 . 0 0 "[ . 1 . 2]" 2
712 1 14 LYS HA 1 14 LYS HD3 . . 4.010 3.070 2.323 3.799 . 0 0 "[ . 1 . 2]" 2
713 1 68 GLN QB 1 69 ASP H . . 4.140 3.343 3.008 3.598 . 0 0 "[ . 1 . 2]" 2
714 1 20 PRO HG2 1 73 ARG HA . . 4.180 3.174 2.725 3.605 . 0 0 "[ . 1 . 2]" 2
715 1 20 PRO HG3 1 73 ARG HA . . 3.160 2.624 2.339 2.954 . 0 0 "[ . 1 . 2]" 2
716 1 73 ARG HA 1 73 ARG HG2 . . 3.440 2.244 2.043 2.914 . 0 0 "[ . 1 . 2]" 2
717 1 73 ARG HA 1 73 ARG HG3 . . 3.440 2.921 2.180 3.438 . 0 0 "[ . 1 . 2]" 2
718 1 73 ARG HA 1 76 ILE MD . . 3.740 2.928 2.397 3.543 . 0 0 "[ . 1 . 2]" 2
719 1 35 ILE HA 1 38 MET H . . 4.100 3.536 3.525 3.551 . 0 0 "[ . 1 . 2]" 2
720 1 35 ILE HA 1 38 MET HB3 . . 3.220 2.580 2.541 2.736 . 0 0 "[ . 1 . 2]" 2
721 1 35 ILE HA 1 35 ILE HG13 . . 4.000 2.931 2.898 2.952 . 0 0 "[ . 1 . 2]" 2
722 1 40 GLU HA 1 43 GLN HB2 . . 3.700 3.009 2.805 3.218 . 0 0 "[ . 1 . 2]" 2
723 1 40 GLU HA 1 43 GLN HB3 . . 4.150 4.129 4.022 4.152 0.002 8 0 "[ . 1 . 2]" 2
724 1 37 ARG HA 1 37 ARG HG3 . . 3.840 3.666 3.665 3.667 . 0 0 "[ . 1 . 2]" 2
725 1 37 ARG H 1 37 ARG HG3 . . 4.470 3.518 3.493 3.529 . 0 0 "[ . 1 . 2]" 2
726 1 37 ARG HG3 1 38 MET H . . 4.610 2.924 2.904 2.946 . 0 0 "[ . 1 . 2]" 2
727 1 37 ARG HG2 1 38 MET H . . 5.190 2.676 2.645 2.710 . 0 0 "[ . 1 . 2]" 2
728 1 74 ARG HA 1 74 ARG QG . . 3.210 2.398 2.282 2.505 . 0 0 "[ . 1 . 2]" 2
729 1 11 PRO HG3 1 30 TYR QD . . 3.860 3.122 2.944 3.539 . 0 0 "[ . 1 . 2]" 2
730 1 11 PRO HG2 1 52 PRO QG . . 3.780 2.962 2.826 3.102 . 0 0 "[ . 1 . 2]" 2
731 1 11 PRO HG2 1 30 TYR QD . . 3.840 3.162 2.978 3.544 . 0 0 "[ . 1 . 2]" 2
732 1 12 ILE H 1 12 ILE HG12 . . 4.460 3.770 3.646 3.925 . 0 0 "[ . 1 . 2]" 2
733 1 12 ILE HA 1 12 ILE HG13 . . 3.960 2.942 2.828 3.041 . 0 0 "[ . 1 . 2]" 2
734 1 38 MET HA 1 38 MET HB2 . . 2.990 2.417 2.391 2.523 . 0 0 "[ . 1 . 2]" 2
735 1 40 GLU HA 1 40 GLU HG2 . . 3.260 2.327 2.179 2.555 . 0 0 "[ . 1 . 2]" 2
736 1 40 GLU HA 1 40 GLU HB3 . . 3.020 2.577 2.495 2.634 . 0 0 "[ . 1 . 2]" 2
737 1 43 GLN HA 1 46 LYS HA . . 4.160 3.632 3.348 3.803 . 0 0 "[ . 1 . 2]" 2
738 1 43 GLN HA 1 47 LYS H . . 3.660 3.037 2.761 3.361 . 0 0 "[ . 1 . 2]" 2
739 1 43 GLN HA 1 43 GLN HG3 . . 3.990 3.246 2.754 3.508 . 0 0 "[ . 1 . 2]" 2
740 1 45 ARG H 1 45 ARG HG2 . . 4.390 3.494 2.718 4.356 . 0 0 "[ . 1 . 2]" 2
741 1 45 ARG HA 1 45 ARG HG2 . . 3.810 2.444 2.130 3.609 . 0 0 "[ . 1 . 2]" 2
742 1 45 ARG H 1 45 ARG HG3 . . 4.390 3.537 2.785 4.087 . 0 0 "[ . 1 . 2]" 2
743 1 45 ARG HA 1 45 ARG HG3 . . 3.810 3.425 2.340 3.751 . 0 0 "[ . 1 . 2]" 2
744 1 37 ARG HA 1 40 GLU H . . 3.950 3.754 3.678 3.853 . 0 0 "[ . 1 . 2]" 2
745 1 30 TYR QD 1 52 PRO QG . . 3.890 2.742 2.520 2.914 . 0 0 "[ . 1 . 2]" 2
746 1 12 ILE MD 1 52 PRO QG . . 3.450 2.071 1.902 2.304 . 0 0 "[ . 1 . 2]" 2
747 1 44 LYS HA 1 44 LYS QD . . 3.980 3.534 2.705 3.981 0.001 5 0 "[ . 1 . 2]" 2
748 1 44 LYS HA 1 44 LYS HG3 . . 4.250 3.618 3.570 3.735 . 0 0 "[ . 1 . 2]" 2
749 1 51 CYS HA 1 52 PRO QG . . 3.920 3.768 3.768 3.769 . 0 0 "[ . 1 . 2]" 2
750 1 61 ILE H 1 61 ILE HG12 . . 4.040 4.007 3.888 4.041 0.001 2 0 "[ . 1 . 2]" 2
751 1 61 ILE HG12 1 61 ILE MG . . 3.500 2.328 2.295 2.402 . 0 0 "[ . 1 . 2]" 2
752 1 58 HIS HD2 1 61 ILE HG13 . . 4.250 3.295 3.133 3.547 . 0 0 "[ . 1 . 2]" 2
753 1 39 ILE MD 1 63 LYS HG2 . . 4.900 3.829 3.534 4.157 . 0 0 "[ . 1 . 2]" 2
754 1 52 PRO QG 1 61 ILE MD . . 5.200 3.722 3.560 3.811 . 0 0 "[ . 1 . 2]" 2
755 1 63 LYS QE 1 63 LYS HG2 . . 3.890 3.268 3.206 3.296 . 0 0 "[ . 1 . 2]" 2
756 1 63 LYS HA 1 63 LYS HG3 . . 3.890 2.653 2.536 2.815 . 0 0 "[ . 1 . 2]" 2
757 1 39 ILE MG 1 63 LYS HG3 . . 4.700 3.942 3.716 4.136 . 0 0 "[ . 1 . 2]" 2
758 1 42 ARG H 1 42 ARG HG2 . . 4.090 2.405 2.120 2.646 . 0 0 "[ . 1 . 2]" 2
759 1 24 LYS HA 1 24 LYS HG3 . . 4.020 3.773 3.697 3.942 . 0 0 "[ . 1 . 2]" 2
760 1 24 LYS HA 1 67 ILE MD . . 3.980 3.809 3.628 3.978 . 0 0 "[ . 1 . 2]" 2
761 1 62 ARG H 1 62 ARG QG . . 3.970 3.472 2.747 3.938 . 0 0 "[ . 1 . 2]" 2
762 1 72 LEU HA 1 72 LEU MD1 . . 4.530 3.218 2.105 3.781 . 0 0 "[ . 1 . 2]" 2
763 1 72 LEU QB 1 72 LEU MD1 . . 2.900 2.085 1.925 2.242 . 0 0 "[ . 1 . 2]" 2
764 1 66 LEU H 1 66 LEU MD1 . . 4.220 4.013 3.975 4.054 . 0 0 "[ . 1 . 2]" 2
765 1 39 ILE MD 1 66 LEU MD1 . . 3.550 2.067 1.879 2.270 . 0 0 "[ . 1 . 2]" 2
766 1 81 LYS HA 1 81 LYS QD . . 3.720 3.658 3.583 3.720 . 6 0 "[ . 1 . 2]" 2
767 1 81 LYS HA 1 81 LYS QG . . 3.980 3.420 3.406 3.431 . 0 0 "[ . 1 . 2]" 2
768 1 25 VAL MG1 1 26 CYS HA . . 4.350 3.536 3.506 3.590 . 0 0 "[ . 1 . 2]" 2
769 1 42 ARG HA 1 47 LYS QE . . 4.920 3.631 2.422 4.923 0.003 4 0 "[ . 1 . 2]" 2
770 1 42 ARG HA 1 42 ARG HG2 . . 3.660 2.701 2.559 2.813 . 0 0 "[ . 1 . 2]" 2
771 1 42 ARG HA 1 47 LYS HB2 . . 3.830 2.626 2.342 2.815 . 0 0 "[ . 1 . 2]" 2
772 1 42 ARG HA 1 47 LYS HB3 . . 3.840 3.130 2.981 3.267 . 0 0 "[ . 1 . 2]" 2
773 1 18 LYS HA 1 18 LYS QD . . 3.850 2.518 2.057 3.855 0.005 9 0 "[ . 1 . 2]" 2
774 1 18 LYS HA 1 18 LYS HG3 . . 4.030 3.723 2.581 3.843 . 0 0 "[ . 1 . 2]" 2
775 1 51 CYS HA 1 52 PRO HD3 . . 3.370 2.470 2.469 2.472 . 0 0 "[ . 1 . 2]" 2
776 1 51 CYS HA 1 52 PRO HD2 . . 3.370 1.913 1.912 1.913 . 0 0 "[ . 1 . 2]" 2
777 1 16 GLU HA 1 16 GLU QG . . 3.360 2.153 2.084 2.284 . 0 0 "[ . 1 . 2]" 2
778 1 33 ASP HA 1 36 VAL HB . . 3.380 2.333 2.323 2.339 . 0 0 "[ . 1 . 2]" 2
779 1 33 ASP HA 1 36 VAL MG1 . . 4.100 3.552 3.491 3.567 . 0 0 "[ . 1 . 2]" 2
780 1 21 VAL HA 1 68 GLN HA . . 3.730 2.631 2.349 2.939 . 0 0 "[ . 1 . 2]" 2
781 1 21 VAL MG1 1 68 GLN HA . . 3.140 2.776 2.624 2.926 . 0 0 "[ . 1 . 2]" 2
782 1 44 LYS HA 1 44 LYS HG2 . . 4.250 3.568 2.371 4.200 . 0 0 "[ . 1 . 2]" 2
783 1 14 LYS HA 1 14 LYS HD2 . . 4.010 2.407 2.012 3.945 . 0 0 "[ . 1 . 2]" 2
784 1 14 LYS HA 1 15 GLU H . . 3.310 2.831 2.769 2.976 . 0 0 "[ . 1 . 2]" 2
785 1 17 MET HA 1 17 MET HG3 . . 3.810 3.502 3.269 3.581 . 0 0 "[ . 1 . 2]" 2
786 1 17 MET HA 1 17 MET HG2 . . 3.510 2.512 2.346 2.590 . 0 0 "[ . 1 . 2]" 2
787 1 24 LYS HG3 1 67 ILE MD . . 5.470 4.477 3.980 5.467 . 0 0 "[ . 1 . 2]" 2
788 1 72 LEU HA 1 75 ALA H . . 3.760 3.391 3.211 3.575 . 0 0 "[ . 1 . 2]" 2
789 1 72 LEU HA 1 72 LEU HG . . 3.150 2.513 2.231 2.953 . 0 0 "[ . 1 . 2]" 2
790 1 17 MET HB3 1 31 GLU HA . . 3.770 3.218 2.936 3.461 . 0 0 "[ . 1 . 2]" 2
791 1 31 GLU HA 1 32 GLU H . . 3.210 2.244 2.235 2.255 . 0 0 "[ . 1 . 2]" 2
792 1 31 GLU HA 1 31 GLU HG2 . . 3.800 3.590 3.542 3.614 . 0 0 "[ . 1 . 2]" 2
793 1 72 LEU HA 1 75 ALA MB . . 2.800 2.366 2.032 2.774 . 0 0 "[ . 1 . 2]" 2
794 1 47 LYS H 1 47 LYS QG . . 3.950 3.693 3.413 3.914 . 0 0 "[ . 1 . 2]" 2
795 1 48 LYS HA 1 48 LYS HG3 . . 3.910 3.930 3.923 3.937 0.027 8 0 "[ . 1 . 2]" 2
796 1 22 LYS HG3 1 23 ASN H . . 4.080 3.429 2.356 3.797 . 0 0 "[ . 1 . 2]" 2
797 1 11 PRO HB3 1 53 GLN HA . . 4.070 3.332 3.038 3.566 . 0 0 "[ . 1 . 2]" 2
798 1 53 GLN HA 1 53 GLN HG3 . . 3.780 2.845 2.366 3.306 . 0 0 "[ . 1 . 2]" 2
799 1 53 GLN HA 1 54 ILE H . . 3.020 2.168 2.159 2.173 . 0 0 "[ . 1 . 2]" 2
800 1 11 PRO HB2 1 53 GLN HA . . 4.070 3.353 3.150 3.524 . 0 0 "[ . 1 . 2]" 2
801 1 48 LYS HA 1 48 LYS HG2 . . 3.910 3.592 3.589 3.596 . 0 0 "[ . 1 . 2]" 2
802 1 24 LYS QD 1 65 ASP HA . . 3.840 3.406 1.908 3.845 0.005 14 0 "[ . 1 . 2]" 2
803 1 24 LYS HG2 1 65 ASP HA . . 3.850 3.684 2.842 3.856 0.006 20 0 "[ . 1 . 2]" 2
804 1 78 ASN HA 1 81 LYS QB . . 3.740 3.612 3.337 3.740 0.000 18 0 "[ . 1 . 2]" 2
805 1 33 ASP HA 1 36 VAL MG2 . . 4.040 3.213 3.129 3.249 . 0 0 "[ . 1 . 2]" 2
806 1 32 GLU HA 1 36 VAL MG2 . . 4.240 3.159 3.148 3.205 . 0 0 "[ . 1 . 2]" 2
807 1 36 VAL HA 1 36 VAL MG2 . . 3.220 2.352 2.265 2.379 . 0 0 "[ . 1 . 2]" 2
808 1 36 VAL MG2 1 63 LYS QE . . 4.190 4.094 3.846 4.195 0.005 6 0 "[ . 1 . 2]" 2
809 1 32 GLU HG2 1 36 VAL MG2 . . 3.210 2.229 2.124 2.320 . 0 0 "[ . 1 . 2]" 2
810 1 36 VAL MG2 1 63 LYS HG3 . . 4.180 4.181 4.150 4.187 0.007 2 0 "[ . 1 . 2]" 2
811 1 36 VAL MG2 1 39 ILE MD . . 4.830 4.018 3.906 4.224 . 0 0 "[ . 1 . 2]" 2
812 1 8 PHE QD 1 72 LEU MD2 . . 4.400 3.045 2.626 4.106 . 0 0 "[ . 1 . 2]" 2
813 1 8 PHE QE 1 72 LEU MD2 . . 5.020 2.793 2.207 3.832 . 0 0 "[ . 1 . 2]" 2
814 1 72 LEU HA 1 72 LEU MD2 . . 4.530 3.141 1.965 3.827 . 0 0 "[ . 1 . 2]" 2
815 1 72 LEU QB 1 72 LEU MD2 . . 2.900 2.088 1.981 2.294 . 0 0 "[ . 1 . 2]" 2
816 1 75 ALA HA 1 78 ASN HB2 . . 3.550 2.863 2.562 3.131 . 0 0 "[ . 1 . 2]" 2
817 1 71 ALA HA 1 74 ARG H . . 4.240 4.208 4.127 4.240 . 0 0 "[ . 1 . 2]" 2
818 1 71 ALA HA 1 74 ARG QB . . 3.680 3.544 3.359 3.681 0.001 16 0 "[ . 1 . 2]" 2
819 1 21 VAL H 1 29 THR MG . . 4.450 2.991 2.662 3.431 . 0 0 "[ . 1 . 2]" 2
820 1 29 THR MG 1 30 TYR H . . 3.800 2.855 2.617 3.124 . 0 0 "[ . 1 . 2]" 2
821 1 22 LYS HA 1 29 THR MG . . 3.540 2.271 2.031 2.569 . 0 0 "[ . 1 . 2]" 2
822 1 29 THR MG 1 69 ASP HB3 . . 4.060 3.306 2.954 3.759 . 0 0 "[ . 1 . 2]" 2
823 1 20 PRO HB3 1 29 THR MG . . 3.800 3.459 2.983 3.788 . 0 0 "[ . 1 . 2]" 2
824 1 29 THR MG 1 69 ASP HB2 . . 4.370 3.130 2.852 3.487 . 0 0 "[ . 1 . 2]" 2
825 1 20 PRO HB2 1 29 THR MG . . 3.410 2.559 2.210 2.857 . 0 0 "[ . 1 . 2]" 2
826 1 22 LYS QB 1 29 THR MG . . 3.260 2.402 2.143 2.724 . 0 0 "[ . 1 . 2]" 2
827 1 34 ALA HA 1 37 ARG H . . 4.230 3.516 3.499 3.527 . 0 0 "[ . 1 . 2]" 2
828 1 34 ALA HA 1 38 MET H . . 4.840 4.005 3.989 4.022 . 0 0 "[ . 1 . 2]" 2
829 1 34 ALA HA 1 37 ARG HB3 . . 4.040 4.041 4.037 4.044 0.004 8 0 "[ . 1 . 2]" 2
830 1 21 VAL HA 1 21 VAL MG1 . . 3.290 2.246 2.159 2.411 . 0 0 "[ . 1 . 2]" 2
831 1 21 VAL MG1 1 32 GLU HB2 . . 3.440 3.084 3.010 3.177 . 0 0 "[ . 1 . 2]" 2
832 1 21 VAL MG1 1 68 GLN HG2 . . 3.840 2.956 2.709 3.198 . 0 0 "[ . 1 . 2]" 2
833 1 21 VAL MG1 1 32 GLU HG3 . . 3.280 2.934 2.783 3.080 . 0 0 "[ . 1 . 2]" 2
834 1 19 LYS QG 1 21 VAL MG1 . . 4.700 4.626 4.543 4.700 0.000 5 0 "[ . 1 . 2]" 2
835 1 21 VAL MG1 1 35 ILE MG . . 3.570 3.113 2.803 3.428 . 0 0 "[ . 1 . 2]" 2
836 1 13 THR H 1 13 THR MG . . 3.390 2.397 1.925 2.694 . 0 0 "[ . 1 . 2]" 2
837 1 13 THR HA 1 13 THR MG . . 3.260 2.278 2.113 2.485 . 0 0 "[ . 1 . 2]" 2
838 1 13 THR MG 1 31 GLU HB3 . . 4.020 3.603 3.127 3.932 . 0 0 "[ . 1 . 2]" 2
839 1 13 THR MG 1 31 GLU HG2 . . 4.200 3.726 3.310 4.125 . 0 0 "[ . 1 . 2]" 2
840 1 12 ILE HB 1 13 THR MG . . 3.390 3.071 2.678 3.390 . 0 0 "[ . 1 . 2]" 2
841 1 25 VAL MG2 1 26 CYS H . . 3.960 3.499 3.478 3.510 . 0 0 "[ . 1 . 2]" 2
842 1 30 TYR QD 1 66 LEU MD2 . . 4.140 3.341 3.047 3.634 . 0 0 "[ . 1 . 2]" 2
843 1 66 LEU HA 1 66 LEU MD2 . . 3.280 1.990 1.948 2.106 . 0 0 "[ . 1 . 2]" 2
844 1 25 VAL MG2 1 65 ASP HB3 . . 3.820 2.380 2.197 2.600 . 0 0 "[ . 1 . 2]" 2
845 1 66 LEU HB2 1 66 LEU MD2 . . 3.460 3.194 3.191 3.195 . 0 0 "[ . 1 . 2]" 2
846 1 21 VAL MG2 1 66 LEU MD2 . . 3.230 2.463 2.241 2.664 . 0 0 "[ . 1 . 2]" 2
847 1 66 LEU HB3 1 66 LEU MD2 . . 3.480 2.378 2.323 2.437 . 0 0 "[ . 1 . 2]" 2
848 1 25 VAL MG2 1 65 ASP HB2 . . 3.820 2.845 2.411 3.063 . 0 0 "[ . 1 . 2]" 2
849 1 24 LYS HG3 1 25 VAL MG2 . . 4.650 4.217 2.723 4.615 . 0 0 "[ . 1 . 2]" 2
850 1 36 VAL MG1 1 37 ARG HA . . 3.940 3.349 3.310 3.514 . 0 0 "[ . 1 . 2]" 2
851 1 36 VAL MG1 1 63 LYS QE . . 3.960 3.764 3.603 3.959 . 0 0 "[ . 1 . 2]" 2
852 1 36 VAL MG1 1 40 GLU HG3 . . 3.890 2.959 2.806 3.103 . 0 0 "[ . 1 . 2]" 2
853 1 36 VAL MG1 1 63 LYS HG3 . . 5.020 4.978 4.797 5.025 0.005 14 0 "[ . 1 . 2]" 2
854 1 35 ILE MG 1 36 VAL H . . 3.150 2.482 2.477 2.493 . 0 0 "[ . 1 . 2]" 2
855 1 30 TYR QD 1 35 ILE MG . . 4.150 4.144 4.041 4.172 0.022 6 0 "[ . 1 . 2]" 2
856 1 30 TYR HB3 1 35 ILE MG . . 5.080 4.788 4.760 4.823 . 0 0 "[ . 1 . 2]" 2
857 1 30 TYR HB2 1 35 ILE MG . . 3.790 3.672 3.656 3.690 . 0 0 "[ . 1 . 2]" 2
858 1 21 VAL HB 1 35 ILE MG . . 4.480 3.788 3.462 4.261 . 0 0 "[ . 1 . 2]" 2
859 1 21 VAL MG2 1 35 ILE MG . . 2.960 2.058 1.926 2.308 . 0 0 "[ . 1 . 2]" 2
860 1 35 ILE MG 1 36 VAL MG2 . . 3.230 2.141 2.101 2.188 . 0 0 "[ . 1 . 2]" 2
861 1 35 ILE MG 1 66 LEU MD1 . . 2.880 2.096 1.869 2.271 . 0 0 "[ . 1 . 2]" 2
862 1 35 ILE HG12 1 35 ILE MG . . 3.220 2.344 2.329 2.355 . 0 0 "[ . 1 . 2]" 2
863 1 35 ILE MD 1 35 ILE MG . . 4.000 3.253 3.252 3.254 . 0 0 "[ . 1 . 2]" 2
864 1 32 GLU HG3 1 35 ILE MG . . 3.760 3.721 3.630 3.762 0.002 15 0 "[ . 1 . 2]" 2
865 1 9 THR MG 1 15 GLU H . . 4.000 3.690 3.567 3.818 . 0 0 "[ . 1 . 2]" 2
866 1 9 THR MG 1 17 MET H . . 4.370 4.307 4.204 4.371 0.001 6 0 "[ . 1 . 2]" 2
867 1 9 THR MG 1 10 CYS H . . 3.890 3.230 3.151 3.295 . 0 0 "[ . 1 . 2]" 2
868 1 9 THR HA 1 9 THR MG . . 3.690 1.996 1.960 2.096 . 0 0 "[ . 1 . 2]" 2
869 1 9 THR MG 1 16 GLU HA . . 3.800 2.625 2.527 2.710 . 0 0 "[ . 1 . 2]" 2
870 1 9 THR MG 1 14 LYS HA . . 4.010 3.962 3.916 4.010 0.000 9 0 "[ . 1 . 2]" 2
871 1 9 THR MG 1 16 GLU HB2 . . 4.050 4.038 3.904 4.052 0.002 12 0 "[ . 1 . 2]" 2
872 1 50 TYR HA 1 59 THR MG . . 4.280 3.736 3.612 3.842 . 0 0 "[ . 1 . 2]" 2
873 1 59 THR HA 1 59 THR MG . . 3.240 2.162 2.096 2.256 . 0 0 "[ . 1 . 2]" 2
874 1 50 TYR HB3 1 59 THR MG . . 3.810 2.647 2.522 2.778 . 0 0 "[ . 1 . 2]" 2
875 1 21 VAL MG2 1 32 GLU HG3 . . 4.190 4.178 4.139 4.192 0.002 18 0 "[ . 1 . 2]" 2
876 1 21 VAL MG2 1 30 TYR QD . . 3.700 2.941 2.664 3.031 . 0 0 "[ . 1 . 2]" 2
877 1 11 PRO HD3 1 30 TYR HA . . 4.350 4.352 4.348 4.358 0.008 13 0 "[ . 1 . 2]" 2
878 1 48 LYS HA 1 49 ALA MB . . 4.090 4.002 3.955 4.033 . 0 0 "[ . 1 . 2]" 2
879 1 38 MET ME 1 49 ALA MB . . 3.380 3.053 2.710 3.381 0.001 17 0 "[ . 1 . 2]" 2
880 1 39 ILE HG13 1 49 ALA MB . . 3.370 3.104 2.909 3.335 . 0 0 "[ . 1 . 2]" 2
881 1 49 ALA MB 1 61 ILE HG13 . . 4.160 3.895 3.651 4.062 . 0 0 "[ . 1 . 2]" 2
882 1 39 ILE HG12 1 49 ALA MB . . 3.310 2.122 1.911 2.533 . 0 0 "[ . 1 . 2]" 2
883 1 10 CYS HA 1 11 PRO HD3 . . 3.420 2.263 2.262 2.264 . 0 0 "[ . 1 . 2]" 2
884 1 25 VAL MG1 1 26 CYS HB3 . . 4.850 4.529 4.438 4.635 . 0 0 "[ . 1 . 2]" 2
885 1 31 GLU HB3 1 34 ALA MB . . 3.420 1.874 1.873 1.875 . 0 0 "[ . 1 . 2]" 2
886 1 31 GLU HB2 1 34 ALA MB . . 3.350 3.337 3.333 3.339 . 0 0 "[ . 1 . 2]" 2
887 1 12 ILE MG 1 34 ALA MB . . 3.250 2.784 2.708 2.864 . 0 0 "[ . 1 . 2]" 2
888 1 35 ILE MD 1 52 PRO HD3 . . 4.500 4.041 3.910 4.139 . 0 0 "[ . 1 . 2]" 2
889 1 52 PRO HD2 1 61 ILE MD . . 4.250 2.721 2.522 2.858 . 0 0 "[ . 1 . 2]" 2
890 1 42 ARG HG3 1 49 ALA HA . . 3.760 3.022 2.871 3.121 . 0 0 "[ . 1 . 2]" 2
891 1 35 ILE HA 1 38 MET ME . . 4.130 3.488 3.023 4.051 . 0 0 "[ . 1 . 2]" 2
892 1 38 MET HB2 1 38 MET ME . . 3.900 3.352 3.140 3.571 . 0 0 "[ . 1 . 2]" 2
893 1 12 ILE MG 1 38 MET ME . . 3.990 3.909 3.703 3.992 0.002 18 0 "[ . 1 . 2]" 2
894 1 38 MET ME 1 51 CYS HA . . 5.060 4.162 3.985 4.375 . 0 0 "[ . 1 . 2]" 2
895 1 38 MET ME 1 52 PRO HD3 . . 4.160 2.189 1.997 2.386 . 0 0 "[ . 1 . 2]" 2
896 1 38 MET ME 1 61 ILE MD . . 3.800 2.985 2.617 3.370 . 0 0 "[ . 1 . 2]" 2
897 1 35 ILE MD 1 38 MET ME . . 3.630 2.594 2.107 3.057 . 0 0 "[ . 1 . 2]" 2
898 1 8 PHE HZ 1 75 ALA MB . . 3.770 3.431 3.015 3.775 0.005 6 0 "[ . 1 . 2]" 2
899 1 75 ALA MB 1 76 ILE HG13 . . 5.500 3.070 2.880 3.323 . 0 0 "[ . 1 . 2]" 2
900 1 19 LYS HA 1 20 PRO HD2 . . 3.220 1.983 1.980 1.986 . 0 0 "[ . 1 . 2]" 2
901 1 19 LYS HA 1 20 PRO HD3 . . 3.390 2.754 2.748 2.760 . 0 0 "[ . 1 . 2]" 2
902 1 17 MET HB3 1 20 PRO HD3 . . 4.080 4.072 3.929 4.082 0.002 19 0 "[ . 1 . 2]" 2
903 1 71 ALA MB 1 72 LEU H . . 3.440 2.833 2.665 2.960 . 0 0 "[ . 1 . 2]" 2
904 1 12 ILE H 1 12 ILE MG . . 4.730 3.807 3.800 3.819 . 0 0 "[ . 1 . 2]" 2
905 1 12 ILE MG 1 13 THR H . . 4.110 3.045 2.938 3.225 . 0 0 "[ . 1 . 2]" 2
906 1 12 ILE MG 1 34 ALA HA . . 3.600 3.279 3.252 3.307 . 0 0 "[ . 1 . 2]" 2
907 1 12 ILE HA 1 12 ILE MG . . 3.130 2.334 2.302 2.346 . 0 0 "[ . 1 . 2]" 2
908 1 12 ILE MG 1 38 MET HB2 . . 3.910 2.995 2.868 3.161 . 0 0 "[ . 1 . 2]" 2
909 1 67 ILE H 1 67 ILE MG . . 4.210 3.145 3.021 3.254 . 0 0 "[ . 1 . 2]" 2
910 1 67 ILE HA 1 67 ILE MG . . 3.700 2.187 2.122 2.311 . 0 0 "[ . 1 . 2]" 2
911 1 24 LYS QE 1 67 ILE MG . . 4.260 3.395 2.037 4.263 0.003 17 0 "[ . 1 . 2]" 2
912 1 67 ILE HG12 1 67 ILE MG . . 3.530 2.275 2.172 2.389 . 0 0 "[ . 1 . 2]" 2
913 1 8 PHE QD 1 17 MET ME . . 4.410 2.724 2.380 3.177 . 0 0 "[ . 1 . 2]" 2
914 1 9 THR HA 1 17 MET ME . . 4.700 4.498 3.903 4.683 . 0 0 "[ . 1 . 2]" 2
915 1 17 MET ME 1 29 THR HB . . 3.550 2.908 2.609 3.264 . 0 0 "[ . 1 . 2]" 2
916 1 8 PHE HB2 1 17 MET ME . . 4.490 3.689 3.472 3.884 . 0 0 "[ . 1 . 2]" 2
917 1 8 PHE HB3 1 17 MET ME . . 4.490 2.274 1.983 2.579 . 0 0 "[ . 1 . 2]" 2
918 1 17 MET ME 1 17 MET HG3 . . 3.600 2.445 2.272 2.575 . 0 0 "[ . 1 . 2]" 2
919 1 17 MET ME 1 20 PRO HB3 . . 3.520 2.730 2.367 3.147 . 0 0 "[ . 1 . 2]" 2
920 1 17 MET HB3 1 17 MET ME . . 4.310 2.719 2.471 3.178 . 0 0 "[ . 1 . 2]" 2
921 1 17 MET ME 1 29 THR MG . . 3.810 3.558 3.005 3.808 . 0 0 "[ . 1 . 2]" 2
922 1 17 MET ME 1 76 ILE MD . . 3.510 3.392 3.127 3.512 0.002 16 0 "[ . 1 . 2]" 2
923 1 17 MET HB2 1 17 MET ME . . 3.670 2.241 2.039 2.471 . 0 0 "[ . 1 . 2]" 2
924 1 76 ILE MG 1 80 ASN HD21 . . 4.130 3.007 2.258 4.068 . 0 0 "[ . 1 . 2]" 2
925 1 76 ILE MG 1 80 ASN HD22 . . 4.130 3.134 2.378 4.130 . 16 0 "[ . 1 . 2]" 2
926 1 76 ILE HG13 1 76 ILE MG . . 3.700 3.186 3.174 3.203 . 0 0 "[ . 1 . 2]" 2
927 1 76 ILE H 1 76 ILE MG . . 3.930 3.764 3.763 3.766 . 0 0 "[ . 1 . 2]" 2
928 1 61 ILE H 1 61 ILE MG . . 4.100 3.883 3.868 3.907 . 0 0 "[ . 1 . 2]" 2
929 1 23 ASN HD21 1 61 ILE MG . . 4.100 3.054 2.022 3.660 . 0 0 "[ . 1 . 2]" 2
930 1 23 ASN HD22 1 61 ILE MG . . 4.100 2.166 1.873 2.627 . 0 0 "[ . 1 . 2]" 2
931 1 61 ILE MG 1 65 ASP HB2 . . 4.500 3.817 3.509 3.982 . 0 0 "[ . 1 . 2]" 2
932 1 61 ILE MG 1 65 ASP HB3 . . 4.500 4.501 4.491 4.505 0.005 17 0 "[ . 1 . 2]" 2
933 1 39 ILE HG13 1 61 ILE MG . . 4.530 4.329 4.131 4.491 . 0 0 "[ . 1 . 2]" 2
934 1 35 ILE HG13 1 61 ILE MG . . 4.830 3.859 3.771 3.985 . 0 0 "[ . 1 . 2]" 2
935 1 61 ILE MG 1 66 LEU MD2 . . 3.270 2.587 2.383 2.721 . 0 0 "[ . 1 . 2]" 2
936 1 39 ILE MG 1 40 GLU HA . . 3.950 3.532 3.357 3.674 . 0 0 "[ . 1 . 2]" 2
937 1 39 ILE MG 1 43 GLN HB2 . . 3.850 3.538 3.310 3.827 . 0 0 "[ . 1 . 2]" 2
938 1 39 ILE HA 1 39 ILE MG . . 3.440 2.333 2.299 2.386 . 0 0 "[ . 1 . 2]" 2
939 1 39 ILE HG12 1 39 ILE MG . . 3.340 2.312 2.243 2.357 . 0 0 "[ . 1 . 2]" 2
940 1 54 ILE H 1 54 ILE MG . . 4.400 3.762 3.756 3.766 . 0 0 "[ . 1 . 2]" 2
941 1 39 ILE HG12 1 49 ALA HA . . 5.500 4.497 4.242 5.061 . 0 0 "[ . 1 . 2]" 2
942 1 49 ALA HA 1 61 ILE MD . . 5.500 4.363 3.975 4.757 . 0 0 "[ . 1 . 2]" 2
943 1 42 ARG HD2 1 49 ALA HA . . 4.440 3.163 2.933 3.557 . 0 0 "[ . 1 . 2]" 2
944 1 38 MET HG3 1 49 ALA MB . . 4.830 4.589 4.021 4.830 . 0 0 "[ . 1 . 2]" 2
945 1 42 ARG H 1 49 ALA MB . . 5.390 5.373 5.284 5.392 0.002 12 0 "[ . 1 . 2]" 2
946 1 48 LYS HG2 1 49 ALA H . . 5.100 4.149 3.926 4.332 . 0 0 "[ . 1 . 2]" 2
947 1 42 ARG HD2 1 47 LYS HB2 . . 4.930 4.414 3.723 4.826 . 0 0 "[ . 1 . 2]" 2
948 1 47 LYS HB2 1 47 LYS QE . . 5.140 2.773 2.054 3.968 . 0 0 "[ . 1 . 2]" 2
949 1 47 LYS HB3 1 48 LYS H . . 4.650 2.181 2.173 2.187 . 0 0 "[ . 1 . 2]" 2
950 1 14 LYS H 1 14 LYS HG2 . . 4.530 3.147 2.823 4.571 0.041 15 0 "[ . 1 . 2]" 2
951 1 42 ARG HA 1 45 ARG HB3 . . 4.870 4.611 4.416 4.871 0.001 6 0 "[ . 1 . 2]" 2
952 1 45 ARG HB3 1 47 LYS H . . 4.630 4.331 3.494 4.631 0.001 7 0 "[ . 1 . 2]" 2
953 1 42 ARG HA 1 45 ARG H . . 4.780 3.466 3.298 3.559 . 0 0 "[ . 1 . 2]" 2
954 1 38 MET HB3 1 39 ILE HA . . 4.430 4.298 4.060 4.367 . 0 0 "[ . 1 . 2]" 2
955 1 38 MET HA 1 39 ILE HA . . 5.430 4.810 4.797 4.823 . 0 0 "[ . 1 . 2]" 2
956 1 39 ILE HA 1 40 GLU HA . . 5.500 4.739 4.685 4.788 . 0 0 "[ . 1 . 2]" 2
957 1 35 ILE MD 1 39 ILE HG12 . . 5.030 3.119 2.957 3.325 . 0 0 "[ . 1 . 2]" 2
958 1 35 ILE MD 1 38 MET HB2 . . 4.900 4.385 4.266 4.465 . 0 0 "[ . 1 . 2]" 2
959 1 12 ILE MD 1 38 MET HB3 . . 4.670 3.412 3.334 3.592 . 0 0 "[ . 1 . 2]" 2
960 1 12 ILE MG 1 38 MET HB3 . . 4.680 4.371 4.204 4.553 . 0 0 "[ . 1 . 2]" 2
961 1 35 ILE MD 1 38 MET HG2 . . 5.500 4.151 3.400 4.926 . 0 0 "[ . 1 . 2]" 2
962 1 12 ILE MD 1 38 MET HG2 . . 4.870 4.185 3.846 4.541 . 0 0 "[ . 1 . 2]" 2
963 1 38 MET HG2 1 42 ARG HG3 . . 4.850 2.795 2.315 3.230 . 0 0 "[ . 1 . 2]" 2
964 1 38 MET H 1 38 MET HG2 . . 4.720 4.421 4.375 4.569 . 0 0 "[ . 1 . 2]" 2
965 1 30 TYR QD 1 35 ILE HB . . 4.370 3.362 3.260 3.470 . 0 0 "[ . 1 . 2]" 2
966 1 30 TYR QD 1 35 ILE HG13 . . 5.250 5.146 5.052 5.239 . 0 0 "[ . 1 . 2]" 2
967 1 30 TYR QD 1 35 ILE HG12 . . 4.350 3.668 3.616 3.736 . 0 0 "[ . 1 . 2]" 2
968 1 35 ILE MG 1 37 ARG H . . 5.500 4.449 4.444 4.456 . 0 0 "[ . 1 . 2]" 2
969 1 32 GLU H 1 35 ILE MG . . 5.430 4.188 4.175 4.211 . 0 0 "[ . 1 . 2]" 2
970 1 35 ILE H 1 35 ILE MD . . 4.550 3.938 3.897 4.009 . 0 0 "[ . 1 . 2]" 2
971 1 35 ILE MD 1 39 ILE H . . 4.770 3.695 3.530 3.795 . 0 0 "[ . 1 . 2]" 2
972 1 30 TYR HH 1 35 ILE MD . . 5.500 5.127 4.901 5.350 . 0 0 "[ . 1 . 2]" 2
973 1 12 ILE MD 1 34 ALA HA . . 4.870 3.612 3.426 3.795 . 0 0 "[ . 1 . 2]" 2
974 1 33 ASP HB3 1 34 ALA HA . . 4.880 4.462 4.204 4.754 . 0 0 "[ . 1 . 2]" 2
975 1 34 ALA HA 1 38 MET HB2 . . 4.970 4.433 4.263 4.493 . 0 0 "[ . 1 . 2]" 2
976 1 13 THR H 1 34 ALA MB . . 4.700 3.141 3.045 3.458 . 0 0 "[ . 1 . 2]" 2
977 1 34 ALA MB 1 37 ARG H . . 5.500 4.560 4.549 4.569 . 0 0 "[ . 1 . 2]" 2
978 1 34 ALA MB 1 38 MET H . . 5.500 4.667 4.660 4.676 . 0 0 "[ . 1 . 2]" 2
979 1 19 LYS HB2 1 32 GLU HB3 . . 4.070 2.795 2.621 2.926 . 0 0 "[ . 1 . 2]" 2
980 1 32 GLU HB3 1 36 VAL MG2 . . 4.530 3.948 3.854 3.991 . 0 0 "[ . 1 . 2]" 2
981 1 19 LYS QG 1 32 GLU HB3 . . 4.980 4.279 3.988 4.552 . 0 0 "[ . 1 . 2]" 2
982 1 32 GLU HG3 1 33 ASP H . . 4.830 4.480 4.436 4.514 . 0 0 "[ . 1 . 2]" 2
983 1 32 GLU H 1 32 GLU HG2 . . 5.500 4.559 4.544 4.585 . 0 0 "[ . 1 . 2]" 2
984 1 20 PRO HD3 1 31 GLU HA . . 5.390 5.323 5.245 5.392 0.002 20 0 "[ . 1 . 2]" 2
985 1 31 GLU HB3 1 34 ALA H . . 5.070 2.948 2.936 2.958 . 0 0 "[ . 1 . 2]" 2
986 1 31 GLU HB2 1 34 ALA H . . 4.920 4.323 4.319 4.326 . 0 0 "[ . 1 . 2]" 2
987 1 31 GLU HG2 1 32 GLU H . . 5.450 3.258 3.145 3.338 . 0 0 "[ . 1 . 2]" 2
988 1 31 GLU H 1 31 GLU HG2 . . 4.940 4.320 4.310 4.335 . 0 0 "[ . 1 . 2]" 2
989 1 31 GLU HG3 1 32 GLU H . . 4.670 2.083 2.041 2.119 . 0 0 "[ . 1 . 2]" 2
990 1 15 GLU HG3 1 16 GLU H . . 5.190 4.233 3.384 4.994 . 0 0 "[ . 1 . 2]" 2
991 1 12 ILE MD 1 30 TYR HA . . 5.310 4.731 4.594 4.949 . 0 0 "[ . 1 . 2]" 2
992 1 21 VAL MG2 1 30 TYR HA . . 5.430 4.150 4.047 4.312 . 0 0 "[ . 1 . 2]" 2
993 1 29 THR MG 1 30 TYR HA . . 5.500 4.666 4.283 4.956 . 0 0 "[ . 1 . 2]" 2
994 1 12 ILE MD 1 30 TYR HB2 . . 4.300 3.915 3.776 4.028 . 0 0 "[ . 1 . 2]" 2
995 1 30 TYR HB2 1 66 LEU MD2 . . 4.690 4.569 4.319 4.692 0.002 2 0 "[ . 1 . 2]" 2
996 1 22 LYS QB 1 29 THR HA . . 4.580 4.003 3.753 4.146 . 0 0 "[ . 1 . 2]" 2
997 1 29 THR HA 1 30 TYR QD . . 4.830 4.006 3.894 4.094 . 0 0 "[ . 1 . 2]" 2
998 1 21 VAL H 1 29 THR HA . . 5.200 4.116 4.013 4.260 . 0 0 "[ . 1 . 2]" 2
999 1 20 PRO HB3 1 29 THR HB . . 4.660 4.362 3.982 4.644 . 0 0 "[ . 1 . 2]" 2
1000 1 23 ASN H 1 29 THR MG . . 4.850 4.149 3.951 4.406 . 0 0 "[ . 1 . 2]" 2
1001 1 22 LYS HG2 1 27 GLY HA2 . . 5.500 2.741 2.599 3.175 . 0 0 "[ . 1 . 2]" 2
1002 1 22 LYS HG3 1 27 GLY HA2 . . 5.500 3.661 2.763 3.853 . 0 0 "[ . 1 . 2]" 2
1003 1 22 LYS QD 1 27 GLY HA2 . . 4.780 2.996 1.992 3.371 . 0 0 "[ . 1 . 2]" 2
1004 1 22 LYS QD 1 27 GLY HA3 . . 4.780 3.953 3.641 4.209 . 0 0 "[ . 1 . 2]" 2
1005 1 26 CYS H 1 27 GLY HA3 . . 5.150 5.079 5.010 5.131 . 0 0 "[ . 1 . 2]" 2
1006 1 26 CYS HB2 1 58 HIS HB2 . . 4.290 3.547 3.453 3.594 . 0 0 "[ . 1 . 2]" 2
1007 1 26 CYS HB2 1 58 HIS HD2 . . 5.070 2.910 2.566 3.057 . 0 0 "[ . 1 . 2]" 2
1008 1 26 CYS HB2 1 27 GLY H . . 4.930 3.699 3.634 3.843 . 0 0 "[ . 1 . 2]" 2
1009 1 25 VAL MG1 1 27 GLY H . . 5.500 5.257 5.122 5.344 . 0 0 "[ . 1 . 2]" 2
1010 1 23 ASN HB2 1 26 CYS H . . 4.240 4.141 3.933 4.243 0.003 17 0 "[ . 1 . 2]" 2
1011 1 22 LYS HA 1 29 THR HB . . 5.010 4.786 4.553 5.008 . 0 0 "[ . 1 . 2]" 2
1012 1 22 LYS HA 1 30 TYR H . . 4.660 3.870 3.577 4.055 . 0 0 "[ . 1 . 2]" 2
1013 1 21 VAL HA 1 22 LYS QB . . 4.470 4.050 4.017 4.067 . 0 0 "[ . 1 . 2]" 2
1014 1 21 VAL HA 1 69 ASP HB2 . . 4.060 3.785 3.327 4.056 . 0 0 "[ . 1 . 2]" 2
1015 1 21 VAL HA 1 68 GLN H . . 5.310 4.958 4.723 5.210 . 0 0 "[ . 1 . 2]" 2
1016 1 21 VAL HB 1 68 GLN HA . . 4.710 4.068 3.813 4.300 . 0 0 "[ . 1 . 2]" 2
1017 1 21 VAL HB 1 67 ILE H . . 4.390 3.367 2.992 3.601 . 0 0 "[ . 1 . 2]" 2
1018 1 20 PRO HA 1 21 VAL MG1 . . 4.810 3.930 3.685 4.070 . 0 0 "[ . 1 . 2]" 2
1019 1 17 MET HB3 1 20 PRO HA . . 5.080 3.727 3.454 3.886 . 0 0 "[ . 1 . 2]" 2
1020 1 20 PRO HA 1 29 THR HB . . 5.500 4.622 4.224 4.925 . 0 0 "[ . 1 . 2]" 2
1021 1 20 PRO HB3 1 76 ILE MD . . 4.780 2.929 2.533 3.533 . 0 0 "[ . 1 . 2]" 2
1022 1 20 PRO HB3 1 69 ASP HB3 . . 5.380 4.757 4.411 5.087 . 0 0 "[ . 1 . 2]" 2
1023 1 20 PRO HD3 1 76 ILE MD . . 4.260 2.424 2.024 2.908 . 0 0 "[ . 1 . 2]" 2
1024 1 20 PRO HD2 1 76 ILE MD . . 4.750 3.543 3.094 4.072 . 0 0 "[ . 1 . 2]" 2
1025 1 19 LYS QG 1 20 PRO HD2 . . 4.340 3.842 3.745 3.910 . 0 0 "[ . 1 . 2]" 2
1026 1 17 MET HG3 1 76 ILE MD . . 5.210 4.568 4.200 4.858 . 0 0 "[ . 1 . 2]" 2
1027 1 9 THR HB 1 17 MET HG3 . . 5.500 5.160 5.013 5.314 . 0 0 "[ . 1 . 2]" 2
1028 1 17 MET HG2 1 31 GLU HA . . 4.890 4.505 3.857 4.807 . 0 0 "[ . 1 . 2]" 2
1029 1 17 MET HG2 1 31 GLU H . . 5.210 4.695 4.152 4.888 . 0 0 "[ . 1 . 2]" 2
1030 1 15 GLU HA 1 15 GLU HG2 . . 4.200 3.284 2.549 4.116 . 0 0 "[ . 1 . 2]" 2
1031 1 12 ILE HB 1 13 THR HA . . 4.510 4.267 4.214 4.329 . 0 0 "[ . 1 . 2]" 2
1032 1 12 ILE MG 1 13 THR HB . . 5.200 5.016 4.923 5.127 . 0 0 "[ . 1 . 2]" 2
1033 1 10 CYS HB2 1 13 THR MG . . 4.790 4.408 3.922 4.770 . 0 0 "[ . 1 . 2]" 2
1034 1 13 THR MG 1 34 ALA H . . 4.910 3.810 3.522 4.225 . 0 0 "[ . 1 . 2]" 2
1035 1 13 THR MG 1 14 LYS H . . 4.410 4.084 3.836 4.226 . 0 0 "[ . 1 . 2]" 2
1036 1 13 THR MG 1 31 GLU H . . 5.500 5.196 4.627 5.502 0.002 15 0 "[ . 1 . 2]" 2
1037 1 12 ILE H 1 13 THR MG . . 4.800 4.491 4.021 4.801 0.001 3 0 "[ . 1 . 2]" 2
1038 1 12 ILE HA 1 14 LYS H . . 5.110 4.193 4.051 4.255 . 0 0 "[ . 1 . 2]" 2
1039 1 12 ILE MD 1 13 THR H . . 4.480 4.070 3.987 4.172 . 0 0 "[ . 1 . 2]" 2
1040 1 12 ILE MD 1 31 GLU H . . 5.210 3.908 3.672 4.162 . 0 0 "[ . 1 . 2]" 2
1041 1 12 ILE H 1 12 ILE HG13 . . 4.460 2.463 2.364 2.570 . 0 0 "[ . 1 . 2]" 2
1042 1 11 PRO HA 1 14 LYS HD2 . . 4.730 3.393 2.921 4.033 . 0 0 "[ . 1 . 2]" 2
1043 1 11 PRO HA 1 14 LYS HD3 . . 4.730 3.402 2.886 4.732 0.002 17 0 "[ . 1 . 2]" 2
1044 1 8 PHE HB2 1 17 MET H . . 5.150 3.577 3.401 3.720 . 0 0 "[ . 1 . 2]" 2
1045 1 30 TYR HH 1 52 PRO HD2 . . 5.250 3.073 2.780 3.359 . 0 0 "[ . 1 . 2]" 2
1046 1 30 TYR HH 1 52 PRO HD3 . . 5.250 4.486 4.142 4.696 . 0 0 "[ . 1 . 2]" 2
1047 1 28 HIS QB 1 53 GLN HG2 . . 4.930 3.938 3.536 4.425 . 0 0 "[ . 1 . 2]" 2
1048 1 53 GLN HG2 1 54 ILE H . . 5.240 5.056 4.884 5.142 . 0 0 "[ . 1 . 2]" 2
1049 1 53 GLN HG3 1 54 ILE H . . 4.160 3.702 3.344 4.003 . 0 0 "[ . 1 . 2]" 2
1050 1 54 ILE MG 1 55 GLY HA3 . . 4.480 3.892 3.688 4.003 . 0 0 "[ . 1 . 2]" 2
1051 1 58 HIS HA 1 59 THR MG . . 4.770 3.847 3.634 3.974 . 0 0 "[ . 1 . 2]" 2
1052 1 58 HIS HA 1 60 ASP H . . 4.870 4.183 4.122 4.230 . 0 0 "[ . 1 . 2]" 2
1053 1 58 HIS HA 1 58 HIS HD2 . . 5.060 4.533 4.452 4.568 . 0 0 "[ . 1 . 2]" 2
1054 1 50 TYR QD 1 59 THR HB . . 4.610 4.122 3.896 4.328 . 0 0 "[ . 1 . 2]" 2
1055 1 51 CYS H 1 59 THR HB . . 4.990 4.783 4.390 4.992 0.002 8 0 "[ . 1 . 2]" 2
1056 1 51 CYS H 1 59 THR MG . . 4.930 3.421 3.239 3.632 . 0 0 "[ . 1 . 2]" 2
1057 1 59 THR H 1 60 ASP HB2 . . 5.500 3.477 3.267 3.991 . 0 0 "[ . 1 . 2]" 2
1058 1 59 THR H 1 60 ASP HB3 . . 5.500 4.583 3.645 5.139 . 0 0 "[ . 1 . 2]" 2
1059 1 23 ASN HD22 1 61 ILE HG12 . . 4.850 2.586 2.111 3.050 . 0 0 "[ . 1 . 2]" 2
1060 1 23 ASN HD21 1 61 ILE HG12 . . 4.850 2.830 2.151 3.052 . 0 0 "[ . 1 . 2]" 2
1061 1 23 ASN HD21 1 61 ILE HG13 . . 4.660 4.496 3.879 4.663 0.003 16 0 "[ . 1 . 2]" 2
1062 1 61 ILE HG13 1 62 ARG H . . 5.310 5.014 4.977 5.069 . 0 0 "[ . 1 . 2]" 2
1063 1 30 TYR QD 1 61 ILE MG . . 4.810 4.287 4.042 4.457 . 0 0 "[ . 1 . 2]" 2
1064 1 61 ILE MG 1 66 LEU HG . . 4.350 3.525 3.285 3.921 . 0 0 "[ . 1 . 2]" 2
1065 1 30 TYR HH 1 61 ILE MG . . 5.500 4.365 3.694 4.926 . 0 0 "[ . 1 . 2]" 2
1066 1 61 ILE MD 1 62 ARG H . . 5.320 5.059 5.015 5.138 . 0 0 "[ . 1 . 2]" 2
1067 1 30 TYR QD 1 61 ILE MD . . 4.920 4.162 4.044 4.249 . 0 0 "[ . 1 . 2]" 2
1068 1 60 ASP H 1 61 ILE MD . . 5.380 4.432 4.371 4.487 . 0 0 "[ . 1 . 2]" 2
1069 1 62 ARG HB2 1 63 LYS H . . 4.540 4.202 3.900 4.358 . 0 0 "[ . 1 . 2]" 2
1070 1 63 LYS HA 1 64 SER HA . . 5.030 4.753 4.735 4.768 . 0 0 "[ . 1 . 2]" 2
1071 1 25 VAL MG2 1 65 ASP HA . . 4.450 4.365 4.105 4.455 0.005 13 0 "[ . 1 . 2]" 2
1072 1 24 LYS H 1 66 LEU HA . . 4.960 4.161 3.939 4.488 . 0 0 "[ . 1 . 2]" 2
1073 1 66 LEU HB3 1 67 ILE H . . 4.570 3.366 3.168 3.482 . 0 0 "[ . 1 . 2]" 2
1074 1 21 VAL MG1 1 68 GLN QB . . 4.350 3.900 3.755 4.062 . 0 0 "[ . 1 . 2]" 2
1075 1 21 VAL MG1 1 68 GLN HG3 . . 4.840 4.055 3.692 4.486 . 0 0 "[ . 1 . 2]" 2
1076 1 68 GLN HG2 1 69 ASP H . . 5.240 4.652 4.414 4.841 . 0 0 "[ . 1 . 2]" 2
1077 1 68 GLN HG3 1 69 ASP H . . 5.500 5.239 5.050 5.403 . 0 0 "[ . 1 . 2]" 2
1078 1 69 ASP HB3 1 72 LEU MD1 . . 5.490 3.664 2.966 4.745 . 0 0 "[ . 1 . 2]" 2
1079 1 69 ASP HB3 1 70 GLU HA . . 5.500 4.968 4.805 5.180 . 0 0 "[ . 1 . 2]" 2
1080 1 69 ASP HB3 1 72 LEU HA . . 5.500 5.062 4.774 5.220 . 0 0 "[ . 1 . 2]" 2
1081 1 22 LYS H 1 69 ASP HB3 . . 5.220 4.383 4.177 4.667 . 0 0 "[ . 1 . 2]" 2
1082 1 21 VAL HA 1 69 ASP HB3 . . 4.480 4.396 4.103 4.487 0.007 1 0 "[ . 1 . 2]" 2
1083 1 70 GLU H 1 71 ALA HA . . 5.500 5.128 4.950 5.354 . 0 0 "[ . 1 . 2]" 2
1084 1 71 ALA HA 1 75 ALA H . . 5.500 4.706 4.518 4.882 . 0 0 "[ . 1 . 2]" 2
1085 1 70 GLU QG 1 71 ALA HA . . 5.140 4.674 3.441 5.025 . 0 0 "[ . 1 . 2]" 2
1086 1 72 LEU H 1 72 LEU MD2 . . 4.730 4.257 4.137 4.386 . 0 0 "[ . 1 . 2]" 2
1087 1 20 PRO HB3 1 72 LEU MD2 . . 4.760 2.400 2.029 3.749 . 0 0 "[ . 1 . 2]" 2
1088 1 73 ARG HA 1 76 ILE H . . 4.290 3.746 3.548 4.018 . 0 0 "[ . 1 . 2]" 2
1089 1 20 PRO HD3 1 73 ARG HA . . 4.820 3.639 3.335 3.903 . 0 0 "[ . 1 . 2]" 2
1090 1 8 PHE QD 1 76 ILE HG13 . . 4.630 3.146 2.739 3.574 . 0 0 "[ . 1 . 2]" 2
1091 1 8 PHE QE 1 76 ILE HG13 . . 5.340 3.531 3.240 4.003 . 0 0 "[ . 1 . 2]" 2
1092 1 76 ILE HA 1 76 ILE HG12 . . 3.780 2.628 2.553 2.687 . 0 0 "[ . 1 . 2]" 2
1093 1 8 PHE HB2 1 76 ILE HG12 . . 4.580 2.653 2.294 3.126 . 0 0 "[ . 1 . 2]" 2
1094 1 8 PHE QD 1 76 ILE HG12 . . 4.650 2.122 1.987 2.344 . 0 0 "[ . 1 . 2]" 2
1095 1 75 ALA MB 1 78 ASN HB3 . . 4.960 4.618 3.948 4.951 . 0 0 "[ . 1 . 2]" 2
1096 1 78 ASN HB2 1 79 HIS H . . 4.640 3.656 3.452 3.993 . 0 0 "[ . 1 . 2]" 2
1097 1 79 HIS HA 1 82 LYS QB . . 4.130 3.170 2.787 3.805 . 0 0 "[ . 1 . 2]" 2
1098 1 8 PHE QD 1 75 ALA MB . . 4.640 3.985 3.641 4.457 . 0 0 "[ . 1 . 2]" 2
1099 1 28 HIS HD2 1 53 GLN HG2 . . 4.520 3.180 2.922 3.536 . 0 0 "[ . 1 . 2]" 2
1100 1 28 HIS HD2 1 53 GLN HG3 . . 5.280 4.797 4.460 5.096 . 0 0 "[ . 1 . 2]" 2
1101 1 25 VAL MG1 1 58 HIS HD2 . . 5.000 3.581 3.485 3.695 . 0 0 "[ . 1 . 2]" 2
1102 1 58 HIS HD2 1 61 ILE MD . . 4.510 3.836 3.702 3.926 . 0 0 "[ . 1 . 2]" 2
1103 1 25 VAL MG2 1 58 HIS HD2 . . 5.110 4.843 4.749 5.002 . 0 0 "[ . 1 . 2]" 2
1104 1 25 VAL HB 1 58 HIS HD2 . . 4.440 3.934 3.855 4.130 . 0 0 "[ . 1 . 2]" 2
1105 1 26 CYS HB3 1 58 HIS HD2 . . 5.020 3.964 3.820 4.107 . 0 0 "[ . 1 . 2]" 2
1106 1 26 CYS H 1 58 HIS HD2 . . 4.930 4.272 4.091 4.524 . 0 0 "[ . 1 . 2]" 2
1107 1 25 VAL HB 1 58 HIS HE1 . . 5.150 4.974 4.733 5.160 0.010 14 0 "[ . 1 . 2]" 2
1108 1 58 HIS HE1 1 60 ASP H . . 4.900 4.250 4.159 4.399 . 0 0 "[ . 1 . 2]" 2
1109 1 50 TYR QD 1 59 THR MG . . 5.010 3.477 3.424 3.530 . 0 0 "[ . 1 . 2]" 2
1110 1 48 LYS HB3 1 50 TYR QD . . 5.210 5.212 5.211 5.213 0.003 5 0 "[ . 1 . 2]" 2
1111 1 48 LYS HB2 1 50 TYR QD . . 5.500 4.861 4.682 4.929 . 0 0 "[ . 1 . 2]" 2
1112 1 49 ALA HA 1 50 TYR QD . . 4.380 3.741 3.665 3.865 . 0 0 "[ . 1 . 2]" 2
1113 1 50 TYR QD 1 59 THR HA . . 4.720 4.205 4.191 4.232 . 0 0 "[ . 1 . 2]" 2
1114 1 50 TYR QD 1 51 CYS H . . 4.840 3.911 3.855 3.979 . 0 0 "[ . 1 . 2]" 2
1115 1 50 TYR QE 1 59 THR MG . . 5.190 4.927 4.870 5.009 . 0 0 "[ . 1 . 2]" 2
1116 1 11 PRO HD2 1 12 ILE H . . 4.620 2.820 2.759 2.845 . 0 0 "[ . 1 . 2]" 2
1117 1 10 CYS HB3 1 13 THR H . . 4.490 2.688 2.468 2.792 . 0 0 "[ . 1 . 2]" 2
1118 1 20 PRO HG2 1 76 ILE MD . . 4.580 3.751 3.339 4.452 . 0 0 "[ . 1 . 2]" 2
1119 1 20 PRO HG2 1 72 LEU MD1 . . 5.190 4.415 3.589 5.165 . 0 0 "[ . 1 . 2]" 2
1120 1 20 PRO HG2 1 72 LEU MD2 . . 5.190 3.350 2.814 4.571 . 0 0 "[ . 1 . 2]" 2
1121 1 50 TYR HA 1 61 ILE MD . . 4.640 3.002 2.765 3.250 . 0 0 "[ . 1 . 2]" 2
1122 1 10 CYS HB2 1 12 ILE H . . 5.500 4.324 4.293 4.392 . 0 0 "[ . 1 . 2]" 2
1123 1 10 CYS HB2 1 34 ALA MB . . 5.210 3.877 3.787 3.972 . 0 0 "[ . 1 . 2]" 2
1124 1 10 CYS HB3 1 34 ALA MB . . 5.210 3.810 3.706 3.871 . 0 0 "[ . 1 . 2]" 2
1125 1 10 CYS HB3 1 12 ILE H . . 5.500 3.235 3.106 3.369 . 0 0 "[ . 1 . 2]" 2
1126 1 11 PRO HG3 1 12 ILE H . . 5.030 4.355 4.257 4.394 . 0 0 "[ . 1 . 2]" 2
1127 1 11 PRO HG2 1 12 ILE H . . 4.620 3.002 2.872 3.054 . 0 0 "[ . 1 . 2]" 2
1128 1 10 CYS HA 1 11 PRO HG3 . . 5.020 4.326 4.325 4.327 . 0 0 "[ . 1 . 2]" 2
1129 1 10 CYS HA 1 11 PRO HG2 . . 5.200 4.259 4.256 4.261 . 0 0 "[ . 1 . 2]" 2
1130 1 11 PRO HD3 1 12 ILE H . . 4.880 3.934 3.903 3.947 . 0 0 "[ . 1 . 2]" 2
1131 1 11 PRO HD3 1 30 TYR QD . . 4.460 3.942 3.649 4.457 . 0 0 "[ . 1 . 2]" 2
1132 1 12 ILE HB 1 14 LYS H . . 4.930 4.262 4.199 4.318 . 0 0 "[ . 1 . 2]" 2
1133 1 12 ILE MD 1 13 THR MG . . 4.720 4.130 3.908 4.324 . 0 0 "[ . 1 . 2]" 2
1134 1 10 CYS HB3 1 13 THR MG . . 4.790 3.648 3.203 3.990 . 0 0 "[ . 1 . 2]" 2
1135 1 16 GLU HB2 1 17 MET H . . 4.790 4.176 4.128 4.224 . 0 0 "[ . 1 . 2]" 2
1136 1 16 GLU HB3 1 17 MET H . . 4.510 3.573 3.376 3.658 . 0 0 "[ . 1 . 2]" 2
1137 1 17 MET HB3 1 76 ILE MD . . 4.430 3.768 3.265 4.153 . 0 0 "[ . 1 . 2]" 2
1138 1 17 MET ME 1 17 MET HG2 . . 3.900 3.375 3.339 3.392 . 0 0 "[ . 1 . 2]" 2
1139 1 21 VAL MG2 1 31 GLU HA . . 4.420 3.686 3.491 3.784 . 0 0 "[ . 1 . 2]" 2
1140 1 22 LYS QE 1 24 LYS HA . . 4.950 3.502 2.914 4.374 . 0 0 "[ . 1 . 2]" 2
1141 1 30 TYR HH 1 51 CYS HB2 . . 4.960 4.812 4.692 4.937 . 0 0 "[ . 1 . 2]" 2
1142 1 35 ILE HA 1 52 PRO QG . . 5.180 4.852 4.764 4.910 . 0 0 "[ . 1 . 2]" 2
1143 1 30 TYR QD 1 35 ILE HA . . 5.500 5.149 4.988 5.366 . 0 0 "[ . 1 . 2]" 2
1144 1 34 ALA H 1 35 ILE HA . . 5.500 5.362 5.360 5.367 . 0 0 "[ . 1 . 2]" 2
1145 1 35 ILE MG 1 36 VAL HA . . 4.300 3.251 3.224 3.269 . 0 0 "[ . 1 . 2]" 2
1146 1 36 VAL HA 1 63 LYS HG3 . . 5.010 4.286 4.128 4.467 . 0 0 "[ . 1 . 2]" 2
1147 1 35 ILE MG 1 36 VAL HB . . 4.610 3.891 3.885 3.894 . 0 0 "[ . 1 . 2]" 2
1148 1 54 ILE H 1 54 ILE MD . . 4.380 2.836 2.082 3.552 . 0 0 "[ . 1 . 2]" 2
1149 1 63 LYS HB3 1 64 SER HA . . 5.140 4.051 4.016 4.090 . 0 0 "[ . 1 . 2]" 2
1150 1 69 ASP HB2 1 72 LEU QB . . 4.330 3.698 3.419 3.940 . 0 0 "[ . 1 . 2]" 2
1151 1 72 LEU QB 1 73 ARG HA . . 5.340 3.826 3.750 3.906 . 0 0 "[ . 1 . 2]" 2
1152 1 75 ALA HA 1 78 ASN H . . 4.210 3.410 3.199 3.635 . 0 0 "[ . 1 . 2]" 2
1153 1 75 ALA MB 1 76 ILE HG12 . . 5.370 4.107 3.892 4.288 . 0 0 "[ . 1 . 2]" 2
1154 1 75 ALA MB 1 76 ILE HA . . 4.400 3.659 3.596 3.759 . 0 0 "[ . 1 . 2]" 2
1155 1 8 PHE HB2 1 76 ILE HG13 . . 4.920 4.104 3.745 4.456 . 0 0 "[ . 1 . 2]" 2
1156 1 79 HIS HA 1 81 LYS QG . . 4.840 3.945 3.354 4.423 . 0 0 "[ . 1 . 2]" 2
1157 1 79 HIS HA 1 82 LYS H . . 5.190 3.696 3.501 3.923 . 0 0 "[ . 1 . 2]" 2
1158 1 70 GLU QG 1 74 ARG HD2 . . 5.140 2.608 2.100 3.231 . 0 0 "[ . 1 . 2]" 2
1159 1 70 GLU QG 1 74 ARG HD3 . . 5.140 4.182 3.590 4.646 . 0 0 "[ . 1 . 2]" 2
1160 1 15 GLU HG2 1 16 GLU H . . 5.190 4.525 4.351 4.725 . 0 0 "[ . 1 . 2]" 2
1161 1 70 GLU HA 1 70 GLU QG . . 3.740 2.239 2.004 2.562 . 0 0 "[ . 1 . 2]" 2
1162 1 65 ASP H 1 65 ASP HB2 . . 4.000 2.301 2.249 2.401 . 0 0 "[ . 1 . 2]" 2
1163 1 20 PRO HG2 1 69 ASP HB3 . . 4.380 3.315 2.815 3.609 . 0 0 "[ . 1 . 2]" 2
1164 1 10 CYS H 1 17 MET ME . . 4.940 4.591 4.074 4.749 . 0 0 "[ . 1 . 2]" 2
1165 1 17 MET ME 1 30 TYR H . . 4.900 4.041 3.641 4.546 . 0 0 "[ . 1 . 2]" 2
1166 1 28 HIS HE1 1 53 GLN HG2 . . 5.200 3.413 3.172 3.691 . 0 0 "[ . 1 . 2]" 2
1167 1 28 HIS HE1 1 53 GLN HB3 . . 5.020 2.798 2.495 3.331 . 0 0 "[ . 1 . 2]" 2
1168 1 28 HIS HE1 1 53 GLN HG3 . . 5.280 3.992 3.119 4.849 . 0 0 "[ . 1 . 2]" 2
1169 1 28 HIS HE1 1 56 CYS HB2 . . 3.860 1.999 1.989 2.007 . 0 0 "[ . 1 . 2]" 2
1170 1 28 HIS HE1 1 56 CYS HB3 . . 3.860 3.559 3.533 3.584 . 0 0 "[ . 1 . 2]" 2
1171 1 28 HIS HE1 1 56 CYS HA . . 4.410 3.617 3.419 3.739 . 0 0 "[ . 1 . 2]" 2
1172 1 65 ASP H 1 66 LEU MD1 . . 5.500 4.763 4.669 4.834 . 0 0 "[ . 1 . 2]" 2
1173 1 21 VAL HB 1 69 ASP H . . 5.230 4.957 4.567 5.164 . 0 0 "[ . 1 . 2]" 2
1174 1 18 LYS HA 1 76 ILE MD . . 4.750 3.230 2.844 3.684 . 0 0 "[ . 1 . 2]" 2
1175 1 19 LYS HB3 1 20 PRO HD3 . . 5.070 4.970 4.963 4.978 . 0 0 "[ . 1 . 2]" 2
1176 1 38 MET ME 1 52 PRO HD2 . . 4.160 3.528 3.391 3.736 . 0 0 "[ . 1 . 2]" 2
1177 1 38 MET ME 1 39 ILE HA . . 5.210 4.992 4.814 5.136 . 0 0 "[ . 1 . 2]" 2
1178 1 38 MET ME 1 50 TYR QE . . 5.200 4.541 4.079 4.945 . 0 0 "[ . 1 . 2]" 2
1179 1 38 MET H 1 38 MET ME . . 5.500 5.052 4.743 5.386 . 0 0 "[ . 1 . 2]" 2
1180 1 38 MET ME 1 39 ILE H . . 5.000 4.537 4.299 4.787 . 0 0 "[ . 1 . 2]" 2
1181 1 9 THR HB 1 16 GLU HA . . 5.290 5.064 4.875 5.147 . 0 0 "[ . 1 . 2]" 2
1182 1 9 THR HB 1 14 LYS HA . . 4.360 4.079 3.929 4.187 . 0 0 "[ . 1 . 2]" 2
1183 1 9 THR HB 1 14 LYS H . . 5.500 5.475 5.340 5.510 0.010 15 0 "[ . 1 . 2]" 2
1184 1 9 THR HB 1 15 GLU H . . 5.040 4.523 4.297 4.743 . 0 0 "[ . 1 . 2]" 2
1185 1 8 PHE HB3 1 9 THR MG . . 5.500 5.451 5.389 5.490 . 0 0 "[ . 1 . 2]" 2
1186 1 10 CYS HB2 1 31 GLU HB2 . . 4.220 2.615 2.475 2.860 . 0 0 "[ . 1 . 2]" 2
1187 1 10 CYS HB3 1 31 GLU HB2 . . 4.220 4.006 3.876 4.226 0.006 6 0 "[ . 1 . 2]" 2
1188 1 11 PRO HA 1 14 LYS QE . . 5.500 4.141 3.366 5.514 0.014 15 0 "[ . 1 . 2]" 2
1189 1 11 PRO HG3 1 52 PRO QG . . 4.000 3.612 3.330 3.745 . 0 0 "[ . 1 . 2]" 2
1190 1 11 PRO HD2 1 52 PRO QG . . 4.650 4.420 4.236 4.542 . 0 0 "[ . 1 . 2]" 2
1191 1 11 PRO HD3 1 52 PRO QG . . 5.350 5.253 5.060 5.354 0.004 18 0 "[ . 1 . 2]" 2
1192 1 8 PHE HB2 1 16 GLU HA . . 5.220 4.933 4.740 5.072 . 0 0 "[ . 1 . 2]" 2
1193 1 8 PHE HB3 1 16 GLU HA . . 5.230 5.149 5.028 5.232 0.002 15 0 "[ . 1 . 2]" 2
1194 1 9 THR HA 1 16 GLU HB2 . . 5.150 5.126 5.072 5.152 0.002 14 0 "[ . 1 . 2]" 2
1195 1 15 GLU HA 1 16 GLU HB2 . . 4.820 4.542 4.500 4.576 . 0 0 "[ . 1 . 2]" 2
1196 1 16 GLU QG 1 76 ILE HG12 . . 5.140 4.981 4.658 5.148 0.008 10 0 "[ . 1 . 2]" 2
1197 1 17 MET HB2 1 20 PRO HB3 . . 4.500 4.014 3.592 4.501 0.001 5 0 "[ . 1 . 2]" 2
1198 1 18 LYS HA 1 76 ILE MG . . 4.680 3.342 2.836 3.939 . 0 0 "[ . 1 . 2]" 2
1199 1 19 LYS HA 1 19 LYS QG . . 3.860 2.199 2.112 2.316 . 0 0 "[ . 1 . 2]" 2
1200 1 19 LYS HA 1 20 PRO HG2 . . 4.510 4.150 4.148 4.151 . 0 0 "[ . 1 . 2]" 2
1201 1 20 PRO HB2 1 76 ILE MD . . 5.250 4.070 3.657 4.770 . 0 0 "[ . 1 . 2]" 2
1202 1 20 PRO HG3 1 73 ARG H . . 4.600 3.589 3.284 3.959 . 0 0 "[ . 1 . 2]" 2
1203 1 22 LYS QB 1 67 ILE HB . . 5.040 4.726 4.614 4.998 . 0 0 "[ . 1 . 2]" 2
1204 1 22 LYS HA 1 22 LYS QD . . 4.700 4.021 3.571 4.195 . 0 0 "[ . 1 . 2]" 2
1205 1 22 LYS QD 1 67 ILE MD . . 4.290 3.259 2.077 4.107 . 0 0 "[ . 1 . 2]" 2
1206 1 25 VAL MG1 1 26 CYS HB2 . . 4.610 3.668 3.540 3.738 . 0 0 "[ . 1 . 2]" 2
1207 1 25 VAL HA 1 26 CYS HA . . 4.950 4.616 4.594 4.626 . 0 0 "[ . 1 . 2]" 2
1208 1 30 TYR HB2 1 31 GLU HA . . 5.320 4.676 4.565 4.732 . 0 0 "[ . 1 . 2]" 2
1209 1 30 TYR HB2 1 35 ILE HA . . 5.500 4.623 4.545 4.767 . 0 0 "[ . 1 . 2]" 2
1210 1 21 VAL H 1 31 GLU HA . . 4.940 3.756 3.630 3.840 . 0 0 "[ . 1 . 2]" 2
1211 1 31 GLU HA 1 33 ASP H . . 5.500 4.837 4.823 4.857 . 0 0 "[ . 1 . 2]" 2
1212 1 31 GLU HB3 1 32 GLU H . . 5.500 4.037 4.012 4.056 . 0 0 "[ . 1 . 2]" 2
1213 1 31 GLU HB2 1 33 ASP H . . 5.430 5.327 5.324 5.334 . 0 0 "[ . 1 . 2]" 2
1214 1 31 GLU HB2 1 32 GLU H . . 5.500 3.900 3.882 3.917 . 0 0 "[ . 1 . 2]" 2
1215 1 13 THR MG 1 33 ASP HB3 . . 5.500 4.320 4.003 4.567 . 0 0 "[ . 1 . 2]" 2
1216 1 33 ASP HB3 1 34 ALA MB . . 5.500 4.874 4.620 5.125 . 0 0 "[ . 1 . 2]" 2
1217 1 33 ASP HB3 1 36 VAL MG2 . . 5.500 5.355 5.258 5.456 . 0 0 "[ . 1 . 2]" 2
1218 1 13 THR MG 1 33 ASP HB2 . . 5.500 3.912 3.563 4.507 . 0 0 "[ . 1 . 2]" 2
1219 1 33 ASP HB2 1 34 ALA MB . . 5.500 4.134 4.023 4.285 . 0 0 "[ . 1 . 2]" 2
1220 1 34 ALA MB 1 38 MET ME . . 5.130 4.697 4.439 5.068 . 0 0 "[ . 1 . 2]" 2
1221 1 35 ILE HB 1 39 ILE MD . . 5.460 4.468 4.427 4.507 . 0 0 "[ . 1 . 2]" 2
1222 1 35 ILE HB 1 61 ILE MG . . 5.500 5.062 4.863 5.175 . 0 0 "[ . 1 . 2]" 2
1223 1 30 TYR HA 1 35 ILE HB . . 5.500 5.510 5.503 5.518 0.018 14 0 "[ . 1 . 2]" 2
1224 1 35 ILE MG 1 39 ILE HG13 . . 4.790 4.610 4.569 4.649 . 0 0 "[ . 1 . 2]" 2
1225 1 34 ALA MB 1 35 ILE MG . . 4.190 3.718 3.697 3.754 . 0 0 "[ . 1 . 2]" 2
1226 1 37 ARG HB3 1 37 ARG QD . . 3.850 2.390 2.296 2.666 . 0 0 "[ . 1 . 2]" 2
1227 1 35 ILE MD 1 38 MET HG3 . . 5.500 4.852 4.509 5.302 . 0 0 "[ . 1 . 2]" 2
1228 1 12 ILE MD 1 38 MET HG3 . . 4.870 3.871 2.872 4.500 . 0 0 "[ . 1 . 2]" 2
1229 1 38 MET H 1 38 MET HG3 . . 4.720 4.516 4.402 4.659 . 0 0 "[ . 1 . 2]" 2
1230 1 38 MET HG3 1 39 ILE H . . 5.000 4.218 3.737 4.650 . 0 0 "[ . 1 . 2]" 2
1231 1 35 ILE MG 1 39 ILE HB . . 5.500 5.291 5.189 5.357 . 0 0 "[ . 1 . 2]" 2
1232 1 38 MET H 1 39 ILE HB . . 5.120 4.781 4.764 4.795 . 0 0 "[ . 1 . 2]" 2
1233 1 38 MET HB3 1 39 ILE HB . . 5.070 4.797 4.712 4.841 . 0 0 "[ . 1 . 2]" 2
1234 1 40 GLU HA 1 43 GLN H . . 4.120 3.753 3.631 3.902 . 0 0 "[ . 1 . 2]" 2
1235 1 40 GLU HG2 1 63 LYS QE . . 4.620 3.928 3.407 4.482 . 0 0 "[ . 1 . 2]" 2
1236 1 40 GLU HG3 1 63 LYS QE . . 4.560 4.410 4.063 4.564 0.004 14 0 "[ . 1 . 2]" 2
1237 1 42 ARG HG2 1 49 ALA HA . . 5.040 4.716 4.582 4.862 . 0 0 "[ . 1 . 2]" 2
1238 1 42 ARG H 1 43 GLN HB2 . . 5.210 4.308 4.162 4.531 . 0 0 "[ . 1 . 2]" 2
1239 1 45 ARG HB3 1 47 LYS QE . . 4.560 3.120 2.219 4.491 . 0 0 "[ . 1 . 2]" 2
1240 1 42 ARG HA 1 45 ARG HB2 . . 4.250 3.048 2.782 3.821 . 0 0 "[ . 1 . 2]" 2
1241 1 38 MET ME 1 49 ALA HA . . 3.880 3.375 2.845 3.761 . 0 0 "[ . 1 . 2]" 2
1242 1 35 ILE MD 1 51 CYS HA . . 5.380 5.260 5.122 5.337 . 0 0 "[ . 1 . 2]" 2
1243 1 30 TYR QD 1 51 CYS HA . . 5.500 5.480 5.321 5.514 0.014 4 0 "[ . 1 . 2]" 2
1244 1 11 PRO HG3 1 53 GLN HA . . 4.540 2.846 2.463 3.087 . 0 0 "[ . 1 . 2]" 2
1245 1 54 ILE MG 1 55 GLY HA2 . . 4.480 3.613 3.519 3.688 . 0 0 "[ . 1 . 2]" 2
1246 1 59 THR MG 1 60 ASP H . . 4.630 4.386 4.366 4.407 . 0 0 "[ . 1 . 2]" 2
1247 1 63 LYS HB2 1 66 LEU MD1 . . 4.420 3.757 3.675 3.896 . 0 0 "[ . 1 . 2]" 2
1248 1 63 LYS H 1 63 LYS HG2 . . 4.500 4.461 4.394 4.502 0.002 5 0 "[ . 1 . 2]" 2
1249 1 35 ILE HG13 1 63 LYS HG3 . . 5.170 4.452 4.210 4.700 . 0 0 "[ . 1 . 2]" 2
1250 1 22 LYS H 1 67 ILE HG12 . . 5.060 4.104 3.622 4.397 . 0 0 "[ . 1 . 2]" 2
1251 1 22 LYS QE 1 67 ILE MG . . 5.450 4.779 4.338 5.453 0.003 20 0 "[ . 1 . 2]" 2
1252 1 22 LYS H 1 67 ILE MG . . 5.500 5.293 5.066 5.491 . 0 0 "[ . 1 . 2]" 2
1253 1 21 VAL HA 1 68 GLN QB . . 4.910 4.564 4.327 4.838 . 0 0 "[ . 1 . 2]" 2
1254 1 68 GLN HA 1 68 GLN HG3 . . 4.090 3.246 2.990 3.424 . 0 0 "[ . 1 . 2]" 2
1255 1 20 PRO HB2 1 69 ASP HB2 . . 4.690 4.115 3.797 4.462 . 0 0 "[ . 1 . 2]" 2
1256 1 20 PRO HD2 1 73 ARG HD2 . . 4.640 3.888 2.656 4.436 . 0 0 "[ . 1 . 2]" 2
1257 1 75 ALA MB 1 77 GLU H . . 4.530 4.318 4.182 4.445 . 0 0 "[ . 1 . 2]" 2
1258 1 80 ASN QB 1 81 LYS HA . . 4.660 3.817 3.681 3.896 . 0 0 "[ . 1 . 2]" 2
1259 1 8 PHE QE 1 72 LEU MD1 . . 5.020 2.382 1.990 3.328 . 0 0 "[ . 1 . 2]" 2
1260 1 8 PHE QE 1 75 ALA MB . . 4.810 2.435 1.965 2.912 . 0 0 "[ . 1 . 2]" 2
1261 1 9 THR MG 1 16 GLU QG . . 3.990 3.822 3.489 3.978 . 0 0 "[ . 1 . 2]" 2
1262 1 11 PRO HA 1 54 ILE MD . . 5.450 4.230 3.174 5.451 0.001 13 0 "[ . 1 . 2]" 2
1263 1 11 PRO HG3 1 53 GLN HB2 . . 4.250 3.907 3.489 4.206 . 0 0 "[ . 1 . 2]" 2
1264 1 12 ILE MG 1 13 THR MG . . 3.140 2.835 2.611 3.058 . 0 0 "[ . 1 . 2]" 2
1265 1 13 THR HA 1 15 GLU H . . 4.920 4.771 4.374 4.922 0.002 14 0 "[ . 1 . 2]" 2
1266 1 12 ILE H 1 13 THR HA . . 5.500 5.079 5.027 5.114 . 0 0 "[ . 1 . 2]" 2
1267 1 16 GLU HA 1 17 MET HG3 . . 4.130 3.820 3.680 3.972 . 0 0 "[ . 1 . 2]" 2
1268 1 8 PHE HA 1 16 GLU QG . . 5.350 5.345 5.230 5.352 0.002 6 0 "[ . 1 . 2]" 2
1269 1 8 PHE QD 1 16 GLU QG . . 5.440 5.212 5.006 5.340 . 0 0 "[ . 1 . 2]" 2
1270 1 17 MET HA 1 76 ILE MD . . 5.440 4.661 4.380 4.834 . 0 0 "[ . 1 . 2]" 2
1271 1 17 MET HG2 1 76 ILE MD . . 5.500 5.305 4.944 5.459 . 0 0 "[ . 1 . 2]" 2
1272 1 18 LYS HA 1 18 LYS HG2 . . 4.030 2.974 2.604 3.629 . 0 0 "[ . 1 . 2]" 2
1273 1 19 LYS HB2 1 32 GLU HB2 . . 4.100 2.229 2.112 2.321 . 0 0 "[ . 1 . 2]" 2
1274 1 19 LYS QG 1 32 GLU H . . 5.320 4.876 4.683 5.022 . 0 0 "[ . 1 . 2]" 2
1275 1 18 LYS H 1 19 LYS QG . . 5.500 5.154 4.837 5.478 . 0 0 "[ . 1 . 2]" 2
1276 1 19 LYS QG 1 32 GLU HB2 . . 4.130 3.589 3.415 3.805 . 0 0 "[ . 1 . 2]" 2
1277 1 17 MET HB3 1 20 PRO HB3 . . 4.290 4.027 3.831 4.191 . 0 0 "[ . 1 . 2]" 2
1278 1 18 LYS H 1 20 PRO HD3 . . 5.480 4.502 4.356 4.719 . 0 0 "[ . 1 . 2]" 2
1279 1 19 LYS HB3 1 20 PRO HD2 . . 4.890 4.210 4.172 4.255 . 0 0 "[ . 1 . 2]" 2
1280 1 22 LYS QD 1 23 ASN H . . 5.500 3.947 2.655 4.417 . 0 0 "[ . 1 . 2]" 2
1281 1 22 LYS QE 1 27 GLY H . . 5.500 5.168 4.802 5.505 0.005 20 0 "[ . 1 . 2]" 2
1282 1 39 ILE MG 1 63 LYS QE . . 4.440 3.055 2.657 3.439 . 0 0 "[ . 1 . 2]" 2
1283 1 21 VAL MG1 1 30 TYR QD . . 5.500 5.468 5.216 5.520 0.020 11 0 "[ . 1 . 2]" 2
1284 1 30 TYR QD 1 66 LEU MD1 . . 5.500 4.806 4.619 5.250 . 0 0 "[ . 1 . 2]" 2
1285 1 19 LYS HB3 1 32 GLU H . . 4.440 3.441 3.280 3.613 . 0 0 "[ . 1 . 2]" 2
1286 1 24 LYS HG3 1 65 ASP HA . . 4.580 2.518 2.085 4.088 . 0 0 "[ . 1 . 2]" 2
1287 1 25 VAL HB 1 26 CYS HA . . 5.480 4.241 4.223 4.276 . 0 0 "[ . 1 . 2]" 2
1288 1 17 MET ME 1 30 TYR HA . . 5.500 3.165 2.826 3.516 . 0 0 "[ . 1 . 2]" 2
1289 1 11 PRO HG2 1 30 TYR HA . . 5.370 4.935 4.798 5.033 . 0 0 "[ . 1 . 2]" 2
1290 1 10 CYS HA 1 30 TYR HA . . 4.190 4.088 4.040 4.128 . 0 0 "[ . 1 . 2]" 2
1291 1 30 TYR HB3 1 34 ALA MB . . 4.880 3.299 3.237 3.456 . 0 0 "[ . 1 . 2]" 2
1292 1 30 TYR HB3 1 52 PRO QG . . 5.150 3.670 3.501 3.770 . 0 0 "[ . 1 . 2]" 2
1293 1 11 PRO HD2 1 30 TYR HB3 . . 5.120 3.744 3.613 3.954 . 0 0 "[ . 1 . 2]" 2
1294 1 30 TYR HB3 1 31 GLU HA . . 5.500 4.932 4.898 5.016 . 0 0 "[ . 1 . 2]" 2
1295 1 30 TYR HB3 1 35 ILE HA . . 5.500 4.996 4.956 5.028 . 0 0 "[ . 1 . 2]" 2
1296 1 31 GLU HG2 1 35 ILE H . . 5.500 4.396 4.376 4.431 . 0 0 "[ . 1 . 2]" 2
1297 1 32 GLU HG3 1 33 ASP HA . . 5.500 5.403 5.318 5.473 . 0 0 "[ . 1 . 2]" 2
1298 1 32 GLU HG2 1 35 ILE MG . . 4.450 4.063 3.975 4.171 . 0 0 "[ . 1 . 2]" 2
1299 1 33 ASP HA 1 36 VAL H . . 3.730 3.609 3.603 3.615 . 0 0 "[ . 1 . 2]" 2
1300 1 12 ILE MG 1 35 ILE HA . . 5.500 5.090 4.953 5.227 . 0 0 "[ . 1 . 2]" 2
1301 1 35 ILE HA 1 66 LEU MD2 . . 5.500 5.121 5.008 5.273 . 0 0 "[ . 1 . 2]" 2
1302 1 35 ILE HA 1 39 ILE MD . . 4.540 3.888 3.868 3.918 . 0 0 "[ . 1 . 2]" 2
1303 1 35 ILE H 1 35 ILE HG13 . . 5.390 4.508 4.505 4.512 . 0 0 "[ . 1 . 2]" 2
1304 1 35 ILE HG12 1 39 ILE HG13 . . 4.750 4.545 4.450 4.602 . 0 0 "[ . 1 . 2]" 2
1305 1 30 TYR HB2 1 35 ILE HG12 . . 5.500 4.364 4.349 4.390 . 0 0 "[ . 1 . 2]" 2
1306 1 31 GLU H 1 35 ILE MG . . 5.440 4.716 4.672 4.746 . 0 0 "[ . 1 . 2]" 2
1307 1 35 ILE MD 1 49 ALA HA . . 5.500 5.017 4.874 5.258 . 0 0 "[ . 1 . 2]" 2
1308 1 36 VAL HA 1 37 ARG HA . . 4.760 4.685 4.681 4.689 . 0 0 "[ . 1 . 2]" 2
1309 1 33 ASP HB3 1 36 VAL HB . . 4.710 4.557 4.466 4.661 . 0 0 "[ . 1 . 2]" 2
1310 1 32 GLU HB2 1 36 VAL MG2 . . 4.760 4.514 4.451 4.541 . 0 0 "[ . 1 . 2]" 2
1311 1 35 ILE HA 1 36 VAL MG2 . . 5.020 4.857 4.841 4.888 . 0 0 "[ . 1 . 2]" 2
1312 1 77 GLU HA 1 80 ASN QB . . 3.740 2.505 2.214 3.025 . 0 0 "[ . 1 . 2]" 2
1313 1 37 ARG HA 1 37 ARG HG2 . . 3.840 3.802 3.801 3.805 . 0 0 "[ . 1 . 2]" 2
1314 1 37 ARG HA 1 40 GLU HB2 . . 3.070 2.753 2.685 2.867 . 0 0 "[ . 1 . 2]" 2
1315 1 37 ARG HA 1 37 ARG HB2 . . 2.840 2.356 2.354 2.359 . 0 0 "[ . 1 . 2]" 2
1316 1 38 MET HG3 1 42 ARG HG3 . . 4.850 3.274 2.497 4.041 . 0 0 "[ . 1 . 2]" 2
1317 1 35 ILE HG13 1 39 ILE HG12 . . 4.370 3.993 3.932 4.036 . 0 0 "[ . 1 . 2]" 2
1318 1 38 MET HB3 1 39 ILE HG12 . . 4.960 4.599 4.409 4.670 . 0 0 "[ . 1 . 2]" 2
1319 1 35 ILE MD 1 39 ILE HG13 . . 4.620 2.434 2.274 2.614 . 0 0 "[ . 1 . 2]" 2
1320 1 39 ILE HB 1 40 GLU HA . . 5.090 4.282 4.213 4.359 . 0 0 "[ . 1 . 2]" 2
1321 1 35 ILE HG13 1 39 ILE HB . . 4.550 4.481 4.296 4.552 0.002 10 0 "[ . 1 . 2]" 2
1322 1 38 MET H 1 39 ILE MD . . 5.500 5.012 4.971 5.161 . 0 0 "[ . 1 . 2]" 2
1323 1 39 ILE MD 1 63 LYS QE . . 5.270 3.139 2.714 3.465 . 0 0 "[ . 1 . 2]" 2
1324 1 39 ILE MG 1 49 ALA MB . . 3.610 3.019 2.765 3.394 . 0 0 "[ . 1 . 2]" 2
1325 1 38 MET HA 1 42 ARG H . . 4.910 4.106 3.875 4.322 . 0 0 "[ . 1 . 2]" 2
1326 1 40 GLU HA 1 42 ARG H . . 5.310 4.200 4.022 4.480 . 0 0 "[ . 1 . 2]" 2
1327 1 37 ARG HG3 1 38 MET HA . . 3.430 3.224 3.215 3.236 . 0 0 "[ . 1 . 2]" 2
1328 1 42 ARG HG2 1 43 GLN H . . 5.400 4.298 4.194 4.414 . 0 0 "[ . 1 . 2]" 2
1329 1 42 ARG HA 1 42 ARG HG3 . . 4.240 3.788 3.738 3.824 . 0 0 "[ . 1 . 2]" 2
1330 1 43 GLN HB3 1 44 LYS H . . 4.490 2.970 2.728 3.302 . 0 0 "[ . 1 . 2]" 2
1331 1 44 LYS HB2 1 44 LYS QD . . 3.770 2.528 2.052 3.314 . 0 0 "[ . 1 . 2]" 2
1332 1 42 ARG HB3 1 47 LYS HB3 . . 3.710 2.039 1.999 2.171 . 0 0 "[ . 1 . 2]" 2
1333 1 47 LYS HA 1 47 LYS QG . . 3.480 2.194 2.110 2.333 . 0 0 "[ . 1 . 2]" 2
1334 1 47 LYS QG 1 48 LYS HE3 . . 3.810 3.811 3.810 3.813 0.003 4 0 "[ . 1 . 2]" 2
1335 1 47 LYS QG 1 48 LYS HE2 . . 3.810 3.604 3.063 3.812 0.002 4 0 "[ . 1 . 2]" 2
1336 1 45 ARG HB3 1 47 LYS QG . . 4.040 3.850 2.856 4.043 0.003 20 0 "[ . 1 . 2]" 2
1337 1 35 ILE MD 1 49 ALA MB . . 5.350 3.077 2.907 3.322 . 0 0 "[ . 1 . 2]" 2
1338 1 38 MET HG2 1 49 ALA MB . . 4.830 3.636 2.964 4.247 . 0 0 "[ . 1 . 2]" 2
1339 1 42 ARG HD2 1 49 ALA MB . . 4.530 4.404 4.258 4.532 0.002 13 0 "[ . 1 . 2]" 2
1340 1 43 GLN H 1 49 ALA MB . . 5.500 5.398 5.246 5.502 0.002 2 0 "[ . 1 . 2]" 2
1341 1 50 TYR HB2 1 59 THR MG . . 4.710 1.992 1.964 2.065 . 0 0 "[ . 1 . 2]" 2
1342 1 51 CYS HA 1 61 ILE HG12 . . 4.900 4.258 4.140 4.399 . 0 0 "[ . 1 . 2]" 2
1343 1 12 ILE MD 1 52 PRO HD2 . . 4.990 4.434 4.210 4.713 . 0 0 "[ . 1 . 2]" 2
1344 1 12 ILE MD 1 52 PRO HD3 . . 4.990 3.856 3.626 4.131 . 0 0 "[ . 1 . 2]" 2
1345 1 53 GLN HA 1 54 ILE MD . . 5.270 4.302 3.452 5.159 . 0 0 "[ . 1 . 2]" 2
1346 1 56 CYS HA 1 58 HIS H . . 5.500 3.984 3.935 4.061 . 0 0 "[ . 1 . 2]" 2
1347 1 26 CYS HB2 1 58 HIS HB3 . . 4.290 3.402 3.253 3.482 . 0 0 "[ . 1 . 2]" 2
1348 1 51 CYS HB3 1 58 HIS HD2 . . 5.480 5.463 5.256 5.490 0.010 12 0 "[ . 1 . 2]" 2
1349 1 62 ARG HA 1 62 ARG QG . . 3.550 2.248 2.020 2.535 . 0 0 "[ . 1 . 2]" 2
1350 1 63 LYS HA 1 66 LEU HB2 . . 4.250 3.260 3.115 3.566 . 0 0 "[ . 1 . 2]" 2
1351 1 62 ARG HA 1 63 LYS HB2 . . 4.500 4.302 4.273 4.334 . 0 0 "[ . 1 . 2]" 2
1352 1 62 ARG HA 1 63 LYS HB3 . . 5.160 5.095 5.018 5.161 0.001 18 0 "[ . 1 . 2]" 2
1353 1 67 ILE HG13 1 67 ILE MG . . 3.530 3.192 3.175 3.203 . 0 0 "[ . 1 . 2]" 2
1354 1 67 ILE MG 1 68 GLN HG3 . . 5.060 4.926 4.786 5.052 . 0 0 "[ . 1 . 2]" 2
1355 1 67 ILE MG 1 68 GLN HA . . 5.500 5.500 5.474 5.514 0.014 7 0 "[ . 1 . 2]" 2
1356 1 66 LEU HA 1 67 ILE MG . . 4.630 4.004 3.893 4.127 . 0 0 "[ . 1 . 2]" 2
1357 1 68 GLN HA 1 69 ASP HB3 . . 4.940 4.819 4.725 4.901 . 0 0 "[ . 1 . 2]" 2
1358 1 21 VAL MG2 1 68 GLN HA . . 5.060 4.976 4.771 5.063 0.003 7 0 "[ . 1 . 2]" 2
1359 1 67 ILE HA 1 68 GLN QB . . 5.500 4.615 4.553 4.676 . 0 0 "[ . 1 . 2]" 2
1360 1 69 ASP HB3 1 72 LEU H . . 4.310 3.276 3.074 3.479 . 0 0 "[ . 1 . 2]" 2
1361 1 70 GLU QG 1 74 ARG H . . 4.630 4.010 3.477 4.365 . 0 0 "[ . 1 . 2]" 2
1362 1 70 GLU QG 1 71 ALA H . . 4.480 4.142 3.259 4.328 . 0 0 "[ . 1 . 2]" 2
1363 1 31 GLU HA 1 31 GLU HG3 . . 4.170 2.566 2.556 2.572 . 0 0 "[ . 1 . 2]" 2
1364 1 70 GLU H 1 71 ALA MB . . 4.430 4.095 3.855 4.317 . 0 0 "[ . 1 . 2]" 2
1365 1 70 GLU QG 1 71 ALA MB . . 5.500 5.116 3.991 5.373 . 0 0 "[ . 1 . 2]" 2
1366 1 69 ASP HB3 1 72 LEU MD2 . . 5.490 3.888 2.634 4.840 . 0 0 "[ . 1 . 2]" 2
1367 1 74 ARG HA 1 78 ASN H . . 4.530 4.299 4.065 4.528 . 0 0 "[ . 1 . 2]" 2
1368 1 74 ARG HA 1 76 ILE H . . 4.790 4.679 4.473 4.790 0.000 10 0 "[ . 1 . 2]" 2
1369 1 74 ARG HA 1 77 GLU HB2 . . 3.230 2.514 2.206 2.885 . 0 0 "[ . 1 . 2]" 2
1370 1 24 LYS HA 1 24 LYS HG2 . . 3.870 2.813 2.580 3.628 . 0 0 "[ . 1 . 2]" 2
1371 1 8 PHE HB2 1 76 ILE MG . . 4.170 3.568 3.345 3.825 . 0 0 "[ . 1 . 2]" 2
1372 1 76 ILE MG 1 77 GLU HA . . 4.100 3.626 3.477 3.781 . 0 0 "[ . 1 . 2]" 2
1373 1 11 PRO HG2 1 12 ILE MD . . 3.850 3.599 3.449 3.749 . 0 0 "[ . 1 . 2]" 2
1374 1 78 ASN HA 1 81 LYS QG . . 4.570 2.400 1.936 3.406 . 0 0 "[ . 1 . 2]" 2
1375 1 75 ALA MB 1 78 ASN HB2 . . 4.710 4.398 4.116 4.666 . 0 0 "[ . 1 . 2]" 2
1376 1 76 ILE MG 1 79 HIS HD2 . . 5.380 4.492 3.912 5.065 . 0 0 "[ . 1 . 2]" 2
1377 1 76 ILE HA 1 79 HIS HD2 . . 5.270 4.947 4.431 5.254 . 0 0 "[ . 1 . 2]" 2
1378 1 76 ILE MG 1 80 ASN QB . . 4.780 3.616 2.964 4.155 . 0 0 "[ . 1 . 2]" 2
1379 1 81 LYS QB 1 81 LYS QE . . 4.470 3.086 2.223 3.646 . 0 0 "[ . 1 . 2]" 2
1380 1 80 ASN QB 1 81 LYS QB . . 4.720 4.081 3.879 4.306 . 0 0 "[ . 1 . 2]" 2
1381 1 42 ARG HD3 1 47 LYS HB3 . . 4.160 2.191 1.999 2.976 . 0 0 "[ . 1 . 2]" 2
1382 1 42 ARG HD3 1 49 ALA MB . . 5.500 5.493 5.368 5.504 0.004 20 0 "[ . 1 . 2]" 2
1383 1 42 ARG HB3 1 42 ARG HD2 . . 3.590 2.706 2.012 3.054 . 0 0 "[ . 1 . 2]" 2
1384 1 24 LYS QE 1 24 LYS HG3 . . 3.750 2.470 2.123 3.315 . 0 0 "[ . 1 . 2]" 2
1385 1 42 ARG HD2 1 47 LYS HB3 . . 4.180 3.003 2.129 3.505 . 0 0 "[ . 1 . 2]" 2
1386 1 17 MET HB2 1 76 ILE MD . . 4.120 2.822 2.439 2.982 . 0 0 "[ . 1 . 2]" 2
1387 1 20 PRO HD2 1 73 ARG H . . 5.080 4.774 4.347 5.048 . 0 0 "[ . 1 . 2]" 2
1388 1 17 MET HB2 1 18 LYS H . . 5.200 4.016 3.845 4.264 . 0 0 "[ . 1 . 2]" 2
1389 1 18 LYS H 1 31 GLU HA . . 5.360 4.643 4.337 5.022 . 0 0 "[ . 1 . 2]" 2
1390 1 76 ILE HG12 1 76 ILE MG . . 3.580 2.308 2.234 2.399 . 0 0 "[ . 1 . 2]" 2
1391 1 7 GLY QA 1 8 PHE QD . . 5.090 3.405 3.034 3.968 . 0 0 "[ . 1 . 2]" 2
1392 1 7 GLY QA 1 9 THR H . . 5.340 5.239 5.083 5.340 . 2 0 "[ . 1 . 2]" 2
1393 1 8 PHE HB2 1 72 LEU QD . . 4.880 4.093 3.296 4.884 0.004 16 0 "[ . 1 . 2]" 2
1394 1 8 PHE HB3 1 72 LEU QD . . 4.860 3.682 3.070 4.338 . 0 0 "[ . 1 . 2]" 2
1395 1 8 PHE QD 1 72 LEU QD . . 3.420 2.827 2.327 3.390 . 0 0 "[ . 1 . 2]" 2
1396 1 8 PHE QD 1 79 HIS QB . . 5.120 4.851 4.518 5.084 . 0 0 "[ . 1 . 2]" 2
1397 1 8 PHE QE 1 72 LEU QD . . 3.700 2.204 1.917 2.417 . 0 0 "[ . 1 . 2]" 2
1398 1 8 PHE HZ 1 72 LEU QD . . 4.960 2.616 2.016 3.101 . 0 0 "[ . 1 . 2]" 2
1399 1 9 THR MG 1 14 LYS QB . . 4.950 4.678 4.616 4.764 . 0 0 "[ . 1 . 2]" 2
1400 1 10 CYS H 1 15 GLU QB . . 5.220 4.789 4.484 5.144 . 0 0 "[ . 1 . 2]" 2
1401 1 10 CYS QB 1 11 PRO HD2 . . 4.210 3.532 3.526 3.540 . 0 0 "[ . 1 . 2]" 2
1402 1 10 CYS QB 1 11 PRO HD3 . . 5.150 4.300 4.296 4.309 . 0 0 "[ . 1 . 2]" 2
1403 1 10 CYS QB 1 12 ILE H . . 4.660 3.149 3.039 3.266 . 0 0 "[ . 1 . 2]" 2
1404 1 10 CYS QB 1 13 THR H . . 3.730 2.657 2.448 2.755 . 0 0 "[ . 1 . 2]" 2
1405 1 10 CYS QB 1 13 THR HB . . 4.280 4.111 3.985 4.281 0.001 15 0 "[ . 1 . 2]" 2
1406 1 10 CYS QB 1 13 THR MG . . 4.000 3.482 3.067 3.799 . 0 0 "[ . 1 . 2]" 2
1407 1 10 CYS QB 1 14 LYS H . . 3.690 2.797 2.618 3.132 . 0 0 "[ . 1 . 2]" 2
1408 1 10 CYS QB 1 15 GLU H . . 3.880 2.743 2.619 2.924 . 0 0 "[ . 1 . 2]" 2
1409 1 10 CYS QB 1 17 MET HA . . 4.600 3.943 3.757 4.030 . 0 0 "[ . 1 . 2]" 2
1410 1 10 CYS QB 1 17 MET HG2 . . 3.220 1.989 1.987 1.992 . 0 0 "[ . 1 . 2]" 2
1411 1 10 CYS QB 1 17 MET HG3 . . 3.620 3.219 2.669 3.406 . 0 0 "[ . 1 . 2]" 2
1412 1 10 CYS QB 1 17 MET ME . . 4.620 4.057 3.812 4.288 . 0 0 "[ . 1 . 2]" 2
1413 1 10 CYS QB 1 30 TYR HA . . 5.030 4.657 4.552 4.802 . 0 0 "[ . 1 . 2]" 2
1414 1 10 CYS QB 1 31 GLU H . . 3.820 3.652 3.579 3.829 0.009 13 0 "[ . 1 . 2]" 2
1415 1 10 CYS QB 1 31 GLU HB2 . . 3.500 2.583 2.448 2.817 . 0 0 "[ . 1 . 2]" 2
1416 1 10 CYS QB 1 31 GLU HB3 . . 4.910 3.045 2.925 3.235 . 0 0 "[ . 1 . 2]" 2
1417 1 10 CYS QB 1 34 ALA MB . . 4.580 3.423 3.336 3.492 . 0 0 "[ . 1 . 2]" 2
1418 1 11 PRO HA 1 14 LYS QD . . 4.110 2.918 2.797 3.452 . 0 0 "[ . 1 . 2]" 2
1419 1 11 PRO HA 1 53 GLN QE . . 5.340 4.696 4.087 5.337 . 0 0 "[ . 1 . 2]" 2
1420 1 11 PRO HA 1 54 ILE QG . . 5.340 5.171 4.450 5.346 0.006 11 0 "[ . 1 . 2]" 2
1421 1 11 PRO QB 1 30 TYR QD . . 5.340 4.730 4.585 5.086 . 0 0 "[ . 1 . 2]" 2
1422 1 11 PRO QB 1 53 GLN H . . 5.060 4.715 4.528 4.893 . 0 0 "[ . 1 . 2]" 2
1423 1 11 PRO QB 1 53 GLN HA . . 3.380 2.976 2.789 3.152 . 0 0 "[ . 1 . 2]" 2
1424 1 11 PRO QB 1 53 GLN QE . . 4.110 2.866 2.175 3.541 . 0 0 "[ . 1 . 2]" 2
1425 1 11 PRO QB 1 54 ILE H . . 5.020 3.233 2.927 3.488 . 0 0 "[ . 1 . 2]" 2
1426 1 11 PRO HG2 1 52 PRO QD . . 5.190 4.927 4.761 5.078 . 0 0 "[ . 1 . 2]" 2
1427 1 12 ILE H 1 12 ILE QG . . 3.710 2.432 2.336 2.538 . 0 0 "[ . 1 . 2]" 2
1428 1 12 ILE H 1 14 LYS QD . . 4.580 3.872 3.694 4.127 . 0 0 "[ . 1 . 2]" 2
1429 1 12 ILE HA 1 12 ILE QG . . 3.350 2.456 2.430 2.473 . 0 0 "[ . 1 . 2]" 2
1430 1 12 ILE MG 1 38 MET QG . . 4.510 3.873 3.388 4.331 . 0 0 "[ . 1 . 2]" 2
1431 1 12 ILE QG 1 13 THR H . . 4.550 3.846 3.775 3.916 . 0 0 "[ . 1 . 2]" 2
1432 1 12 ILE QG 1 52 PRO QB . . 4.000 2.193 1.960 2.472 . 0 0 "[ . 1 . 2]" 2
1433 1 12 ILE MD 1 38 MET QG . . 4.280 3.439 2.833 3.772 . 0 0 "[ . 1 . 2]" 2
1434 1 12 ILE MD 1 52 PRO QB . . 3.940 2.590 2.391 2.881 . 0 0 "[ . 1 . 2]" 2
1435 1 13 THR H 1 14 LYS QD . . 5.340 4.408 3.881 4.725 . 0 0 "[ . 1 . 2]" 2
1436 1 13 THR HA 1 15 GLU QG . . 4.360 4.056 3.960 4.217 . 0 0 "[ . 1 . 2]" 2
1437 1 13 THR HB 1 15 GLU QB . . 4.040 3.597 3.101 4.041 0.001 9 0 "[ . 1 . 2]" 2
1438 1 13 THR HB 1 15 GLU QG . . 3.570 2.318 1.978 2.522 . 0 0 "[ . 1 . 2]" 2
1439 1 13 THR MG 1 15 GLU QG . . 4.010 3.685 3.202 4.012 0.002 17 0 "[ . 1 . 2]" 2
1440 1 14 LYS H 1 14 LYS QB . . 3.650 3.373 3.144 3.420 . 0 0 "[ . 1 . 2]" 2
1441 1 14 LYS H 1 14 LYS QG . . 3.650 2.973 2.790 3.659 0.009 10 0 "[ . 1 . 2]" 2
1442 1 14 LYS H 1 14 LYS QD . . 4.040 2.742 2.216 3.089 . 0 0 "[ . 1 . 2]" 2
1443 1 14 LYS HA 1 14 LYS QG . . 3.620 2.962 2.259 3.118 . 0 0 "[ . 1 . 2]" 2
1444 1 14 LYS HA 1 14 LYS QD . . 3.430 2.241 1.992 2.799 . 0 0 "[ . 1 . 2]" 2
1445 1 14 LYS QB 1 14 LYS QD . . 3.210 2.383 2.229 2.807 . 0 0 "[ . 1 . 2]" 2
1446 1 14 LYS QE 1 14 LYS QG . . 3.300 2.172 1.995 2.375 . 0 0 "[ . 1 . 2]" 2
1447 1 14 LYS QG 1 15 GLU H . . 5.220 4.696 4.612 4.919 . 0 0 "[ . 1 . 2]" 2
1448 1 15 GLU H 1 15 GLU QB . . 3.430 2.999 2.709 3.229 . 0 0 "[ . 1 . 2]" 2
1449 1 15 GLU H 1 15 GLU QG . . 3.590 2.727 2.349 2.949 . 0 0 "[ . 1 . 2]" 2
1450 1 15 GLU HA 1 15 GLU QG . . 3.590 2.933 2.507 3.361 . 0 0 "[ . 1 . 2]" 2
1451 1 15 GLU QB 1 16 GLU H . . 2.950 2.182 1.960 2.352 . 0 0 "[ . 1 . 2]" 2
1452 1 15 GLU QG 1 16 GLU H . . 4.540 3.797 3.292 4.157 . 0 0 "[ . 1 . 2]" 2
1453 1 17 MET ME 1 72 LEU QD . . 3.250 2.873 2.607 3.258 0.008 3 0 "[ . 1 . 2]" 2
1454 1 18 LYS H 1 18 LYS QB . . 3.230 2.566 2.440 2.634 . 0 0 "[ . 1 . 2]" 2
1455 1 18 LYS HA 1 18 LYS QG . . 3.260 2.827 2.530 2.985 . 0 0 "[ . 1 . 2]" 2
1456 1 18 LYS QB 1 19 LYS H . . 3.190 2.744 2.672 2.807 . 0 0 "[ . 1 . 2]" 2
1457 1 18 LYS QE 1 18 LYS QG . . 3.480 2.121 1.964 2.581 . 0 0 "[ . 1 . 2]" 2
1458 1 18 LYS QG 1 19 LYS H . . 4.600 3.994 3.799 4.288 . 0 0 "[ . 1 . 2]" 2
1459 1 20 PRO HA 1 72 LEU QD . . 5.290 3.799 3.632 4.091 . 0 0 "[ . 1 . 2]" 2
1460 1 20 PRO HB2 1 72 LEU QD . . 3.490 2.159 1.931 2.605 . 0 0 "[ . 1 . 2]" 2
1461 1 20 PRO HB3 1 72 LEU QD . . 3.760 2.238 2.014 2.742 . 0 0 "[ . 1 . 2]" 2
1462 1 20 PRO HG2 1 72 LEU QD . . 4.520 3.198 2.773 3.474 . 0 0 "[ . 1 . 2]" 2
1463 1 20 PRO HG2 1 73 ARG QB . . 4.680 3.645 3.407 4.034 . 0 0 "[ . 1 . 2]" 2
1464 1 20 PRO HG2 1 73 ARG QG . . 2.770 2.305 1.986 2.693 . 0 0 "[ . 1 . 2]" 2
1465 1 20 PRO HD2 1 73 ARG QB . . 5.340 4.053 3.880 4.232 . 0 0 "[ . 1 . 2]" 2
1466 1 20 PRO HD2 1 73 ARG QG . . 3.410 1.972 1.880 2.122 . 0 0 "[ . 1 . 2]" 2
1467 1 20 PRO HD3 1 73 ARG QG . . 3.570 3.139 2.743 3.416 . 0 0 "[ . 1 . 2]" 2
1468 1 21 VAL MG1 1 68 GLN QE . . 4.560 3.987 3.536 4.472 . 0 0 "[ . 1 . 2]" 2
1469 1 22 LYS H 1 22 LYS QG . . 4.730 4.050 3.936 4.116 . 0 0 "[ . 1 . 2]" 2
1470 1 22 LYS H 1 67 ILE QG . . 4.260 2.798 2.380 3.132 . 0 0 "[ . 1 . 2]" 2
1471 1 22 LYS HA 1 22 LYS QG . . 3.570 2.418 2.355 2.537 . 0 0 "[ . 1 . 2]" 2
1472 1 22 LYS HA 1 23 ASN QB . . 4.100 3.985 3.936 4.017 . 0 0 "[ . 1 . 2]" 2
1473 1 22 LYS QB 1 23 ASN QB . . 5.340 5.050 4.996 5.101 . 0 0 "[ . 1 . 2]" 2
1474 1 22 LYS QE 1 22 LYS QG . . 3.190 2.236 2.122 2.317 . 0 0 "[ . 1 . 2]" 2
1475 1 22 LYS QG 1 23 ASN H . . 3.560 2.111 1.941 2.264 . 0 0 "[ . 1 . 2]" 2
1476 1 22 LYS QG 1 23 ASN QB . . 4.760 3.838 3.763 3.960 . 0 0 "[ . 1 . 2]" 2
1477 1 22 LYS QG 1 24 LYS HA . . 5.040 4.780 4.083 4.905 . 0 0 "[ . 1 . 2]" 2
1478 1 22 LYS QG 1 27 GLY QA . . 4.100 2.603 2.514 2.822 . 0 0 "[ . 1 . 2]" 2
1479 1 22 LYS QD 1 27 GLY QA . . 4.050 2.888 1.983 3.210 . 0 0 "[ . 1 . 2]" 2
1480 1 22 LYS QE 1 27 GLY QA . . 3.760 3.087 2.907 3.281 . 0 0 "[ . 1 . 2]" 2
1481 1 23 ASN H 1 23 ASN QD . . 4.890 4.673 4.425 4.824 . 0 0 "[ . 1 . 2]" 2
1482 1 23 ASN QB 1 25 VAL H . . 4.630 3.077 2.933 3.282 . 0 0 "[ . 1 . 2]" 2
1483 1 23 ASN QB 1 25 VAL MG2 . . 4.770 4.104 3.716 4.331 . 0 0 "[ . 1 . 2]" 2
1484 1 23 ASN QB 1 28 HIS H . . 4.250 3.486 3.320 3.772 . 0 0 "[ . 1 . 2]" 2
1485 1 23 ASN QB 1 61 ILE MG . . 4.340 3.746 3.387 3.927 . 0 0 "[ . 1 . 2]" 2
1486 1 23 ASN QB 1 61 ILE MD . . 5.340 4.196 3.680 4.497 . 0 0 "[ . 1 . 2]" 2
1487 1 23 ASN QB 1 66 LEU MD2 . . 4.390 3.451 3.155 3.953 . 0 0 "[ . 1 . 2]" 2
1488 1 23 ASN QD 1 25 VAL H . . 4.810 3.252 2.798 4.017 . 0 0 "[ . 1 . 2]" 2
1489 1 23 ASN QD 1 25 VAL HB . . 4.190 2.677 1.941 3.779 . 0 0 "[ . 1 . 2]" 2
1490 1 23 ASN QD 1 25 VAL MG1 . . 5.340 3.947 3.330 4.837 . 0 0 "[ . 1 . 2]" 2
1491 1 23 ASN QD 1 26 CYS H . . 4.220 2.740 2.082 3.984 . 0 0 "[ . 1 . 2]" 2
1492 1 23 ASN QD 1 30 TYR HH . . 4.850 4.066 3.496 4.831 . 0 0 "[ . 1 . 2]" 2
1493 1 23 ASN QD 1 61 ILE HA . . 4.880 2.460 2.216 2.718 . 0 0 "[ . 1 . 2]" 2
1494 1 23 ASN QD 1 61 ILE HB . . 4.490 4.169 3.825 4.493 0.003 16 0 "[ . 1 . 2]" 2
1495 1 23 ASN QD 1 61 ILE MG . . 3.490 2.111 1.735 2.571 . 0 0 "[ . 1 . 2]" 2
1496 1 23 ASN QD 1 61 ILE HG12 . . 4.190 2.384 1.929 2.689 . 0 0 "[ . 1 . 2]" 2
1497 1 23 ASN QD 1 61 ILE MD . . 3.630 3.293 2.499 3.633 0.003 15 0 "[ . 1 . 2]" 2
1498 1 23 ASN QD 1 65 ASP QB . . 4.490 3.188 2.723 3.575 . 0 0 "[ . 1 . 2]" 2
1499 1 24 LYS H 1 65 ASP QB . . 3.690 2.415 2.120 2.866 . 0 0 "[ . 1 . 2]" 2
1500 1 24 LYS H 1 67 ILE QG . . 4.610 4.049 3.508 4.319 . 0 0 "[ . 1 . 2]" 2
1501 1 24 LYS QB 1 24 LYS QE . . 3.820 2.353 2.093 3.222 . 0 0 "[ . 1 . 2]" 2
1502 1 24 LYS QB 1 25 VAL H . . 4.360 3.093 2.929 3.658 . 0 0 "[ . 1 . 2]" 2
1503 1 24 LYS QB 1 25 VAL MG2 . . 4.860 3.332 3.038 4.154 . 0 0 "[ . 1 . 2]" 2
1504 1 24 LYS QB 1 65 ASP HA . . 4.680 3.424 2.924 4.374 . 0 0 "[ . 1 . 2]" 2
1505 1 24 LYS QB 1 67 ILE MD . . 5.190 4.008 2.758 4.499 . 0 0 "[ . 1 . 2]" 2
1506 1 25 VAL H 1 65 ASP QB . . 4.340 2.823 2.484 3.102 . 0 0 "[ . 1 . 2]" 2
1507 1 25 VAL MG1 1 58 HIS QB . . 5.340 4.543 4.432 4.691 . 0 0 "[ . 1 . 2]" 2
1508 1 26 CYS H 1 27 GLY QA . . 4.460 4.304 4.231 4.350 . 0 0 "[ . 1 . 2]" 2
1509 1 26 CYS HB2 1 58 HIS QB . . 3.430 3.089 3.017 3.133 . 0 0 "[ . 1 . 2]" 2
1510 1 28 HIS HE1 1 56 CYS QB . . 3.290 1.989 1.979 1.996 . 0 0 "[ . 1 . 2]" 2
1511 1 29 THR HB 1 72 LEU QD . . 3.710 2.797 2.545 3.217 . 0 0 "[ . 1 . 2]" 2
1512 1 29 THR MG 1 72 LEU QD . . 3.720 1.923 1.833 2.054 . 0 0 "[ . 1 . 2]" 2
1513 1 30 TYR QD 1 52 PRO QD . . 3.980 3.864 3.662 3.947 . 0 0 "[ . 1 . 2]" 2
1514 1 30 TYR HH 1 52 PRO QD . . 4.380 3.023 2.740 3.283 . 0 0 "[ . 1 . 2]" 2
1515 1 35 ILE MD 1 38 MET QG . . 4.730 3.822 3.338 4.242 . 0 0 "[ . 1 . 2]" 2
1516 1 35 ILE MD 1 52 PRO QD . . 3.880 3.766 3.654 3.828 . 0 0 "[ . 1 . 2]" 2
1517 1 38 MET H 1 38 MET QG . . 4.110 3.976 3.922 4.021 . 0 0 "[ . 1 . 2]" 2
1518 1 38 MET HA 1 38 MET QG . . 3.320 2.462 2.267 2.522 . 0 0 "[ . 1 . 2]" 2
1519 1 38 MET QG 1 39 ILE H . . 4.370 3.327 3.005 3.617 . 0 0 "[ . 1 . 2]" 2
1520 1 38 MET QG 1 39 ILE HG13 . . 5.340 3.842 3.337 4.337 . 0 0 "[ . 1 . 2]" 2
1521 1 38 MET QG 1 41 SER QB . . 4.440 3.901 3.683 4.157 . 0 0 "[ . 1 . 2]" 2
1522 1 38 MET QG 1 42 ARG H . . 4.720 4.142 3.899 4.383 . 0 0 "[ . 1 . 2]" 2
1523 1 38 MET QG 1 42 ARG HG3 . . 4.160 2.506 2.296 2.729 . 0 0 "[ . 1 . 2]" 2
1524 1 38 MET QG 1 49 ALA MB . . 3.980 3.488 2.893 3.980 0.000 18 0 "[ . 1 . 2]" 2
1525 1 38 MET ME 1 52 PRO QD . . 3.650 2.169 1.983 2.355 . 0 0 "[ . 1 . 2]" 2
1526 1 39 ILE MG 1 43 GLN QG . . 3.810 3.123 2.432 3.468 . 0 0 "[ . 1 . 2]" 2
1527 1 39 ILE MG 1 43 GLN QE . . 4.480 3.903 2.381 4.481 0.001 8 0 "[ . 1 . 2]" 2
1528 1 40 GLU HA 1 43 GLN QG . . 4.650 4.449 3.983 4.651 0.001 18 0 "[ . 1 . 2]" 2
1529 1 41 SER H 1 44 LYS QG . . 4.930 4.406 4.190 4.753 . 0 0 "[ . 1 . 2]" 2
1530 1 41 SER QB 1 44 LYS QG . . 4.600 4.093 3.769 4.587 . 0 0 "[ . 1 . 2]" 2
1531 1 42 ARG H 1 44 LYS QG . . 5.230 4.352 3.908 5.154 . 0 0 "[ . 1 . 2]" 2
1532 1 43 GLN H 1 43 GLN QG . . 3.500 3.201 2.956 3.336 . 0 0 "[ . 1 . 2]" 2
1533 1 43 GLN HA 1 43 GLN QG . . 3.370 2.056 1.998 2.186 . 0 0 "[ . 1 . 2]" 2
1534 1 43 GLN HA 1 46 LYS QG . . 5.340 5.228 4.920 5.343 0.003 10 0 "[ . 1 . 2]" 2
1535 1 44 LYS H 1 44 LYS QB . . 2.840 2.393 2.298 2.473 . 0 0 "[ . 1 . 2]" 2
1536 1 44 LYS H 1 44 LYS QG . . 3.360 2.432 2.315 2.583 . 0 0 "[ . 1 . 2]" 2
1537 1 44 LYS HA 1 44 LYS QG . . 3.520 3.053 2.341 3.400 . 0 0 "[ . 1 . 2]" 2
1538 1 44 LYS QB 1 44 LYS QD . . 2.990 2.122 1.992 2.332 . 0 0 "[ . 1 . 2]" 2
1539 1 44 LYS QB 1 45 ARG H . . 3.950 3.292 2.584 3.614 . 0 0 "[ . 1 . 2]" 2
1540 1 45 ARG H 1 45 ARG QG . . 3.850 3.071 2.676 3.735 . 0 0 "[ . 1 . 2]" 2
1541 1 45 ARG HA 1 45 ARG QG . . 3.340 2.339 2.083 2.922 . 0 0 "[ . 1 . 2]" 2
1542 1 46 LYS H 1 46 LYS QB . . 3.540 3.192 2.895 3.342 . 0 0 "[ . 1 . 2]" 2
1543 1 46 LYS H 1 46 LYS QG . . 3.600 2.889 2.513 3.600 . 0 0 "[ . 1 . 2]" 2
1544 1 46 LYS HA 1 46 LYS QG . . 3.060 2.301 2.087 2.547 . 0 0 "[ . 1 . 2]" 2
1545 1 46 LYS QB 1 47 LYS H . . 4.210 3.819 3.732 3.884 . 0 0 "[ . 1 . 2]" 2
1546 1 46 LYS QB 1 47 LYS HA . . 5.180 4.248 4.201 4.284 . 0 0 "[ . 1 . 2]" 2
1547 1 47 LYS HB3 1 48 LYS QE . . 4.280 4.282 4.280 4.283 0.003 17 0 "[ . 1 . 2]" 2
1548 1 48 LYS H 1 48 LYS QG . . 3.530 2.369 2.335 2.402 . 0 0 "[ . 1 . 2]" 2
1549 1 48 LYS HA 1 48 LYS QG . . 3.330 3.327 3.327 3.328 . 0 0 "[ . 1 . 2]" 2
1550 1 48 LYS HB3 1 48 LYS QE . . 4.180 2.215 2.141 2.373 . 0 0 "[ . 1 . 2]" 2
1551 1 48 LYS QE 1 48 LYS QG . . 3.300 2.272 2.212 2.296 . 0 0 "[ . 1 . 2]" 2
1552 1 48 LYS QG 1 49 ALA H . . 4.430 3.518 3.231 3.752 . 0 0 "[ . 1 . 2]" 2
1553 1 48 LYS QG 1 50 TYR HB3 . . 4.480 3.268 3.215 3.352 . 0 0 "[ . 1 . 2]" 2
1554 1 51 CYS H 1 58 HIS QB . . 5.170 3.630 3.520 3.741 . 0 0 "[ . 1 . 2]" 2
1555 1 51 CYS HB2 1 58 HIS QB . . 3.530 2.536 2.259 2.652 . 0 0 "[ . 1 . 2]" 2
1556 1 51 CYS HB3 1 56 CYS QB . . 4.000 2.066 2.002 2.188 . 0 0 "[ . 1 . 2]" 2
1557 1 52 PRO QB 1 53 GLN H . . 3.810 3.530 3.483 3.583 . 0 0 "[ . 1 . 2]" 2
1558 1 52 PRO QD 1 53 GLN H . . 3.970 2.731 2.694 2.776 . 0 0 "[ . 1 . 2]" 2
1559 1 53 GLN H 1 56 CYS QB . . 4.110 3.939 3.853 4.004 . 0 0 "[ . 1 . 2]" 2
1560 1 53 GLN HA 1 53 GLN QE . . 5.340 2.876 2.391 3.311 . 0 0 "[ . 1 . 2]" 2
1561 1 53 GLN HA 1 54 ILE QG . . 4.720 3.895 3.767 4.253 . 0 0 "[ . 1 . 2]" 2
1562 1 53 GLN HB2 1 56 CYS QB . . 4.620 3.883 3.644 4.147 . 0 0 "[ . 1 . 2]" 2
1563 1 53 GLN HB3 1 56 CYS QB . . 4.020 2.499 2.399 2.566 . 0 0 "[ . 1 . 2]" 2
1564 1 53 GLN HG2 1 56 CYS QB . . 4.940 4.212 3.914 4.429 . 0 0 "[ . 1 . 2]" 2
1565 1 53 GLN HG3 1 56 CYS QB . . 4.710 4.150 3.168 4.712 0.002 17 0 "[ . 1 . 2]" 2
1566 1 53 GLN QE 1 54 ILE H . . 5.260 3.861 2.905 4.400 . 0 0 "[ . 1 . 2]" 2
1567 1 54 ILE H 1 54 ILE QG . . 3.350 2.059 1.933 2.428 . 0 0 "[ . 1 . 2]" 2
1568 1 54 ILE HA 1 54 ILE QG . . 3.680 2.502 2.334 2.990 . 0 0 "[ . 1 . 2]" 2
1569 1 54 ILE QG 1 54 ILE MG . . 3.250 2.152 1.932 2.330 . 0 0 "[ . 1 . 2]" 2
1570 1 54 ILE MG 1 55 GLY QA . . 3.850 3.326 3.217 3.396 . 0 0 "[ . 1 . 2]" 2
1571 1 56 CYS QB 1 58 HIS H . . 5.340 3.489 3.403 3.648 . 0 0 "[ . 1 . 2]" 2
1572 1 58 HIS H 1 58 HIS QB . . 3.530 2.191 2.175 2.206 . 0 0 "[ . 1 . 2]" 2
1573 1 58 HIS QB 1 59 THR H . . 3.970 3.350 3.313 3.388 . 0 0 "[ . 1 . 2]" 2
1574 1 58 HIS QB 1 61 ILE MD . . 5.340 4.574 4.398 4.676 . 0 0 "[ . 1 . 2]" 2
1575 1 58 HIS HE1 1 60 ASP QB . . 4.440 2.868 2.604 3.181 . 0 0 "[ . 1 . 2]" 2
1576 1 60 ASP QB 1 61 ILE H . . 4.390 3.823 3.634 3.979 . 0 0 "[ . 1 . 2]" 2
1577 1 61 ILE MG 1 65 ASP QB . . 3.740 3.616 3.392 3.731 . 0 0 "[ . 1 . 2]" 2
1578 1 62 ARG H 1 62 ARG QB . . 3.210 2.481 2.384 2.657 . 0 0 "[ . 1 . 2]" 2
1579 1 62 ARG H 1 65 ASP QB . . 3.520 2.666 2.487 2.802 . 0 0 "[ . 1 . 2]" 2
1580 1 62 ARG QB 1 62 ARG QD . . 3.240 2.090 1.963 2.265 . 0 0 "[ . 1 . 2]" 2
1581 1 62 ARG QB 1 63 LYS H . . 3.780 3.055 2.854 3.272 . 0 0 "[ . 1 . 2]" 2
1582 1 62 ARG QB 1 64 SER H . . 3.860 2.401 2.307 2.623 . 0 0 "[ . 1 . 2]" 2
1583 1 62 ARG QB 1 65 ASP H . . 3.600 2.749 2.561 2.941 . 0 0 "[ . 1 . 2]" 2
1584 1 62 ARG QB 1 66 LEU H . . 5.340 5.188 5.104 5.338 . 0 0 "[ . 1 . 2]" 2
1585 1 65 ASP H 1 65 ASP QB . . 3.380 2.274 2.224 2.369 . 0 0 "[ . 1 . 2]" 2
1586 1 65 ASP QB 1 66 LEU H . . 3.800 3.730 3.708 3.744 . 0 0 "[ . 1 . 2]" 2
1587 1 65 ASP QB 1 66 LEU HG . . 4.720 4.059 3.907 4.159 . 0 0 "[ . 1 . 2]" 2
1588 1 66 LEU HA 1 67 ILE QG . . 4.280 3.578 3.507 3.655 . 0 0 "[ . 1 . 2]" 2
1589 1 67 ILE QG 1 68 GLN H . . 4.340 3.797 3.717 3.957 . 0 0 "[ . 1 . 2]" 2
1590 1 69 ASP HB2 1 72 LEU QD . . 4.300 3.844 3.369 4.174 . 0 0 "[ . 1 . 2]" 2
1591 1 69 ASP HB3 1 72 LEU QD . . 4.270 3.100 2.611 3.358 . 0 0 "[ . 1 . 2]" 2
1592 1 70 GLU H 1 70 GLU QB . . 2.950 2.134 2.041 2.255 . 0 0 "[ . 1 . 2]" 2
1593 1 70 GLU HA 1 70 GLU QB . . 2.630 2.489 2.290 2.536 . 0 0 "[ . 1 . 2]" 2
1594 1 70 GLU HA 1 73 ARG QB . . 3.380 2.147 1.989 2.389 . 0 0 "[ . 1 . 2]" 2
1595 1 70 GLU HA 1 73 ARG QD . . 4.910 3.926 2.620 4.905 . 0 0 "[ . 1 . 2]" 2
1596 1 70 GLU QB 1 71 ALA H . . 3.340 2.593 2.505 2.711 . 0 0 "[ . 1 . 2]" 2
1597 1 70 GLU QB 1 71 ALA MB . . 4.170 3.881 3.762 4.027 . 0 0 "[ . 1 . 2]" 2
1598 1 70 GLU QG 1 73 ARG QB . . 4.930 3.356 3.046 3.833 . 0 0 "[ . 1 . 2]" 2
1599 1 70 GLU QG 1 74 ARG QD . . 4.470 2.582 2.086 3.174 . 0 0 "[ . 1 . 2]" 2
1600 1 71 ALA HA 1 74 ARG QD . . 4.520 3.372 2.815 3.936 . 0 0 "[ . 1 . 2]" 2
1601 1 72 LEU H 1 72 LEU QD . . 4.080 3.690 3.459 3.789 . 0 0 "[ . 1 . 2]" 2
1602 1 72 LEU HA 1 72 LEU QD . . 3.110 2.558 1.959 2.952 . 0 0 "[ . 1 . 2]" 2
1603 1 72 LEU QB 1 72 LEU QD . . 2.520 1.853 1.739 1.917 . 0 0 "[ . 1 . 2]" 2
1604 1 72 LEU QD 1 73 ARG H . . 4.700 3.730 3.154 4.233 . 0 0 "[ . 1 . 2]" 2
1605 1 72 LEU QD 1 73 ARG HA . . 4.910 3.817 2.917 4.850 . 0 0 "[ . 1 . 2]" 2
1606 1 72 LEU QD 1 75 ALA H . . 4.730 4.412 4.028 4.684 . 0 0 "[ . 1 . 2]" 2
1607 1 72 LEU QD 1 75 ALA MB . . 3.450 2.947 2.589 3.215 . 0 0 "[ . 1 . 2]" 2
1608 1 72 LEU QD 1 76 ILE H . . 4.390 3.796 3.178 4.390 0.000 10 0 "[ . 1 . 2]" 2
1609 1 72 LEU QD 1 76 ILE HG13 . . 4.860 2.885 2.132 3.866 . 0 0 "[ . 1 . 2]" 2
1610 1 72 LEU QD 1 76 ILE MD . . 4.170 2.506 1.880 3.364 . 0 0 "[ . 1 . 2]" 2
1611 1 73 ARG H 1 73 ARG QB . . 2.850 2.090 2.050 2.193 . 0 0 "[ . 1 . 2]" 2
1612 1 73 ARG H 1 73 ARG QG . . 3.270 3.118 2.810 3.269 . 0 0 "[ . 1 . 2]" 2
1613 1 73 ARG HA 1 73 ARG QG . . 2.930 2.124 2.019 2.252 . 0 0 "[ . 1 . 2]" 2
1614 1 73 ARG HA 1 73 ARG QD . . 5.040 3.752 3.104 4.052 . 0 0 "[ . 1 . 2]" 2
1615 1 73 ARG QB 1 73 ARG QD . . 3.190 2.199 1.974 2.421 . 0 0 "[ . 1 . 2]" 2
1616 1 73 ARG QB 1 74 ARG H . . 2.980 2.503 2.375 2.686 . 0 0 "[ . 1 . 2]" 2
1617 1 73 ARG QB 1 74 ARG QG . . 3.580 3.294 3.042 3.451 . 0 0 "[ . 1 . 2]" 2
1618 1 73 ARG QB 1 75 ALA H . . 5.050 4.420 4.279 4.582 . 0 0 "[ . 1 . 2]" 2
1619 1 74 ARG H 1 74 ARG QD . . 4.130 3.324 2.985 3.682 . 0 0 "[ . 1 . 2]" 2
1620 1 74 ARG HA 1 74 ARG QD . . 4.410 4.031 3.894 4.101 . 0 0 "[ . 1 . 2]" 2
1621 1 74 ARG HA 1 77 GLU QG . . 4.560 3.843 3.418 4.326 . 0 0 "[ . 1 . 2]" 2
1622 1 76 ILE HA 1 79 HIS QB . . 3.530 3.009 2.661 3.317 . 0 0 "[ . 1 . 2]" 2
1623 1 76 ILE HB 1 77 GLU QG . . 4.120 3.928 3.788 4.088 . 0 0 "[ . 1 . 2]" 2
1624 1 76 ILE MG 1 77 GLU QG . . 4.360 3.940 3.651 4.205 . 0 0 "[ . 1 . 2]" 2
1625 1 76 ILE MG 1 79 HIS QB . . 4.440 3.638 3.187 4.061 . 0 0 "[ . 1 . 2]" 2
1626 1 76 ILE MG 1 80 ASN QD . . 3.620 2.595 2.139 3.233 . 0 0 "[ . 1 . 2]" 2
1627 1 77 GLU H 1 77 GLU QG . . 3.490 3.010 2.842 3.189 . 0 0 "[ . 1 . 2]" 2
1628 1 77 GLU HA 1 77 GLU QG . . 3.550 2.226 2.071 2.612 . 0 0 "[ . 1 . 2]" 2
1629 1 77 GLU HA 1 80 ASN QD . . 5.340 4.033 3.001 4.907 . 0 0 "[ . 1 . 2]" 2
1630 1 77 GLU HB3 1 77 GLU QG . . 2.570 2.400 2.214 2.523 . 0 0 "[ . 1 . 2]" 2
1631 1 79 HIS QB 1 80 ASN H . . 3.930 2.804 2.538 2.904 . 0 0 "[ . 1 . 2]" 2
1632 1 79 HIS HD2 1 80 ASN QD . . 5.340 4.179 2.653 5.288 . 0 0 "[ . 1 . 2]" 2
1633 1 80 ASN H 1 80 ASN QD . . 4.860 3.336 2.636 4.177 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 188.972
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2362
_Distance_constraint_stats_list.Viol_average_violations_only 0.2362
_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 53 GLN 9.449 0.281 13 0 "[ . 1 . 2]"
1 56 CYS 9.449 0.281 13 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 53 GLN O 1 56 CYS H . . 1.800 2.005 1.993 2.015 0.215 13 0 "[ . 1 . 2]" 3
2 1 53 GLN O 1 56 CYS N . . 2.700 2.968 2.958 2.981 0.281 13 0 "[ . 1 . 2]" 3
stop_
save_
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