NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598912 |
2n0u   |
25536 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n0u
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 330
_Distance_constraint_stats_list.Viol_count 931
_Distance_constraint_stats_list.Viol_total 914.735
_Distance_constraint_stats_list.Viol_max 1.610
_Distance_constraint_stats_list.Viol_rms 0.0488
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0491
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 0.289 0.099 3 0 "[ . 1 . 2]"
1 3 ASN 0.006 0.004 3 0 "[ . 1 . 2]"
1 4 GLN 0.411 0.041 5 0 "[ . 1 . 2]"
1 5 VAL 0.473 0.041 5 0 "[ . 1 . 2]"
1 6 ARG 0.404 0.073 20 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.001 0.001 18 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.001 0.001 18 0 "[ . 1 . 2]"
1 12 LEU 0.092 0.031 4 0 "[ . 1 . 2]"
1 13 LYS 0.092 0.031 4 0 "[ . 1 . 2]"
1 14 ILE 0.423 0.047 9 0 "[ . 1 . 2]"
1 15 LEU 1.406 0.065 11 0 "[ . 1 . 2]"
1 16 HIS 1.381 0.065 11 0 "[ . 1 . 2]"
1 17 ALA 0.247 0.024 4 0 "[ . 1 . 2]"
1 18 ALA 0.002 0.002 3 0 "[ . 1 . 2]"
1 19 GLY 0.002 0.002 3 0 "[ . 1 . 2]"
1 20 ALA 0.237 0.041 7 0 "[ . 1 . 2]"
1 21 GLN 0.350 0.027 15 0 "[ . 1 . 2]"
1 22 GLY 0.312 0.024 2 0 "[ . 1 . 2]"
1 23 GLU 0.057 0.057 7 0 "[ . 1 . 2]"
1 24 MET 0.461 0.051 10 0 "[ . 1 . 2]"
1 25 PHE 1.849 0.083 7 0 "[ . 1 . 2]"
1 26 THR 0.011 0.008 11 0 "[ . 1 . 2]"
1 27 VAL 0.788 0.088 7 0 "[ . 1 . 2]"
1 28 LYS 0.499 0.088 7 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.734 0.045 20 0 "[ . 1 . 2]"
1 31 MET 0.719 0.045 20 0 "[ . 1 . 2]"
1 32 HIS 0.226 0.033 11 0 "[ . 1 . 2]"
1 33 TYR 0.226 0.033 11 0 "[ . 1 . 2]"
1 34 LEU 0.229 0.095 18 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 1.576 0.128 5 0 "[ . 1 . 2]"
1 38 ILE 1.209 0.104 12 0 "[ . 1 . 2]"
1 39 MET 0.097 0.014 10 0 "[ . 1 . 2]"
1 40 VAL 0.471 0.236 2 0 "[ . 1 . 2]"
1 41 LYS 0.672 0.045 9 0 "[ . 1 . 2]"
1 42 GLN 1.813 0.090 2 0 "[ . 1 . 2]"
1 43 LEU 2.157 0.128 5 0 "[ . 1 . 2]"
1 44 TYR 1.058 0.090 2 0 "[ . 1 . 2]"
1 45 ASP 0.142 0.059 8 0 "[ . 1 . 2]"
1 46 GLN 0.426 0.059 8 0 "[ . 1 . 2]"
1 47 GLN 0.445 0.062 3 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.495 0.044 13 0 "[ . 1 . 2]"
1 50 HIS 1.218 0.059 17 0 "[ . 1 . 2]"
1 51 MET 0.308 0.044 2 0 "[ . 1 . 2]"
1 52 VAL 0.239 0.030 4 0 "[ . 1 . 2]"
1 53 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.036 0.016 4 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.128 0.090 9 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.128 0.090 9 0 "[ . 1 . 2]"
1 61 GLU 0.518 0.042 19 0 "[ . 1 . 2]"
1 62 LEU 13.901 1.610 1 11 "[+ .* * * * *-*** *]"
1 63 LEU 13.134 1.610 1 11 "[+ .* * * * *-*** *]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.954 0.052 2 0 "[ . 1 . 2]"
1 68 PHE 0.763 0.052 2 0 "[ . 1 . 2]"
1 69 SER 0.258 0.044 2 0 "[ . 1 . 2]"
1 70 VAL 2.228 0.128 4 0 "[ . 1 . 2]"
1 71 LYS 0.317 0.038 12 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 1.156 0.091 9 0 "[ . 1 . 2]"
1 77 TYR 0.400 0.072 9 0 "[ . 1 . 2]"
1 78 ASP 3.086 0.139 17 0 "[ . 1 . 2]"
1 79 MET 2.426 0.139 17 0 "[ . 1 . 2]"
1 80 LEU 3.114 0.217 6 0 "[ . 1 . 2]"
1 81 ARG 0.312 0.111 3 0 "[ . 1 . 2]"
1 82 LYS 2.383 0.112 6 0 "[ . 1 . 2]"
1 83 ASN 0.295 0.039 13 0 "[ . 1 . 2]"
1 84 LEU 3.961 0.217 6 0 "[ . 1 . 2]"
1 85 VAL 0.393 0.084 16 0 "[ . 1 . 2]"
1 86 THR 0.045 0.012 4 0 "[ . 1 . 2]"
1 87 LEU 0.870 0.083 16 0 "[ . 1 . 2]"
1 88 ALA 0.071 0.018 5 0 "[ . 1 . 2]"
1 89 THR 0.824 0.052 20 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 44 TYR HA 1 53 TYR H . . 3.820 2.716 2.386 3.006 . 0 0 "[ . 1 . 2]" 1
2 1 87 LEU H 1 87 LEU QB . . 2.950 2.241 2.077 2.519 . 0 0 "[ . 1 . 2]" 1
3 1 87 LEU H 1 87 LEU MD1 . . 4.670 3.947 2.452 4.326 . 0 0 "[ . 1 . 2]" 1
4 1 86 THR MG 1 88 ALA H . . 4.830 2.687 1.931 4.632 . 0 0 "[ . 1 . 2]" 1
5 1 14 ILE HA 1 17 ALA H . . 3.980 3.721 3.500 3.852 . 0 0 "[ . 1 . 2]" 1
6 1 14 ILE MG 1 17 ALA H . . 5.500 4.951 4.820 5.070 . 0 0 "[ . 1 . 2]" 1
7 1 46 GLN H 1 46 GLN HB3 . . 3.520 3.378 2.828 3.547 0.027 9 0 "[ . 1 . 2]" 1
8 1 45 ASP HB2 1 46 GLN H . . 4.750 4.188 3.990 4.407 . 0 0 "[ . 1 . 2]" 1
9 1 52 VAL H 1 70 VAL H . . 4.800 4.583 4.292 4.813 0.013 4 0 "[ . 1 . 2]" 1
10 1 52 VAL H 1 68 PHE QE . . 5.500 5.215 5.077 5.331 . 0 0 "[ . 1 . 2]" 1
11 1 52 VAL H 1 69 SER HA . . 4.000 2.842 2.627 3.041 . 0 0 "[ . 1 . 2]" 1
12 1 52 VAL H 1 52 VAL HB . . 3.360 2.598 2.503 2.649 . 0 0 "[ . 1 . 2]" 1
13 1 51 MET QB 1 52 VAL H . . 4.940 3.626 3.207 3.854 . 0 0 "[ . 1 . 2]" 1
14 1 84 LEU H 1 85 VAL H . . 4.600 4.366 4.195 4.569 . 0 0 "[ . 1 . 2]" 1
15 1 44 TYR QD 1 45 ASP H . . 4.260 3.528 3.261 3.780 . 0 0 "[ . 1 . 2]" 1
16 1 27 VAL H 1 29 GLU H . . 4.790 4.250 4.161 4.438 . 0 0 "[ . 1 . 2]" 1
17 1 26 THR HB 1 27 VAL H . . 3.140 2.412 2.295 2.583 . 0 0 "[ . 1 . 2]" 1
18 1 27 VAL H 1 28 LYS HA . . 5.380 5.404 5.364 5.468 0.088 7 0 "[ . 1 . 2]" 1
19 1 9 LEU H 1 10 PRO HD2 . . 4.300 2.784 2.598 3.266 . 0 0 "[ . 1 . 2]" 1
20 1 80 LEU H 1 84 LEU H . . 5.420 5.554 5.459 5.637 0.217 6 0 "[ . 1 . 2]" 1
21 1 1 GLN H1 1 1 GLN QG . . 4.250 2.866 2.250 3.370 . 0 0 "[ . 1 . 2]" 1
22 1 59 LEU H 1 61 GLU H . . 4.840 4.423 4.272 4.553 . 0 0 "[ . 1 . 2]" 1
23 1 61 GLU H 1 62 LEU H . . 3.010 2.726 2.693 2.762 . 0 0 "[ . 1 . 2]" 1
24 1 6 ARG H 1 6 ARG HB2 . . 3.640 3.233 2.691 3.713 0.073 20 0 "[ . 1 . 2]" 1
25 1 9 LEU H 1 10 PRO HD3 . . 4.300 3.673 3.053 3.953 . 0 0 "[ . 1 . 2]" 1
26 1 80 LEU H 1 80 LEU HB3 . . 3.860 3.626 3.554 3.683 . 0 0 "[ . 1 . 2]" 1
27 1 8 LYS H 1 11 LEU H . . 4.630 4.455 4.169 4.631 0.001 18 0 "[ . 1 . 2]" 1
28 1 31 MET HA 1 34 LEU H . . 3.890 3.031 2.656 3.430 . 0 0 "[ . 1 . 2]" 1
29 1 37 TYR H 1 37 TYR HB3 . . 3.270 2.484 2.421 2.521 . 0 0 "[ . 1 . 2]" 1
30 1 37 TYR H 1 37 TYR QD . . 4.170 4.201 4.189 4.215 0.045 4 0 "[ . 1 . 2]" 1
31 1 33 TYR HB3 1 34 LEU H . . 4.930 4.098 4.003 4.233 . 0 0 "[ . 1 . 2]" 1
32 1 34 LEU H 1 35 GLY H . . 3.520 2.645 2.553 2.826 . 0 0 "[ . 1 . 2]" 1
33 1 33 TYR QD 1 34 LEU H . . 4.980 4.563 4.390 4.639 . 0 0 "[ . 1 . 2]" 1
34 1 33 TYR HB2 1 34 LEU H . . 4.930 3.105 2.996 3.169 . 0 0 "[ . 1 . 2]" 1
35 1 70 VAL H 1 70 VAL MG1 . . 4.040 2.896 1.908 3.761 . 0 0 "[ . 1 . 2]" 1
36 1 86 THR H 1 86 THR MG . . 4.440 2.573 1.972 3.572 . 0 0 "[ . 1 . 2]" 1
37 1 70 VAL H 1 70 VAL MG2 . . 4.040 2.377 2.118 2.682 . 0 0 "[ . 1 . 2]" 1
38 1 50 HIS HA 1 70 VAL H . . 4.990 3.709 2.993 4.044 . 0 0 "[ . 1 . 2]" 1
39 1 14 ILE H 1 16 HIS H . . 4.670 4.216 4.099 4.350 . 0 0 "[ . 1 . 2]" 1
40 1 14 ILE H 1 14 ILE HB . . 2.820 2.473 2.360 2.630 . 0 0 "[ . 1 . 2]" 1
41 1 14 ILE H 1 14 ILE HG13 . . 3.610 2.962 2.205 3.628 0.018 20 0 "[ . 1 . 2]" 1
42 1 14 ILE H 1 14 ILE MG . . 4.130 3.777 3.730 3.809 . 0 0 "[ . 1 . 2]" 1
43 1 26 THR HA 1 29 GLU H . . 5.170 4.584 4.394 4.674 . 0 0 "[ . 1 . 2]" 1
44 1 29 GLU H 1 30 VAL MG1 . . 4.720 4.443 4.337 4.577 . 0 0 "[ . 1 . 2]" 1
45 1 78 ASP H 1 78 ASP HB2 . . 3.060 2.295 2.187 2.398 . 0 0 "[ . 1 . 2]" 1
46 1 26 THR H 1 29 GLU H . . 3.920 3.625 3.366 3.795 . 0 0 "[ . 1 . 2]" 1
47 1 26 THR MG 1 29 GLU H . . 5.260 4.376 3.944 4.792 . 0 0 "[ . 1 . 2]" 1
48 1 57 ASP H 1 57 ASP HB2 . . 3.350 2.523 2.246 2.699 . 0 0 "[ . 1 . 2]" 1
49 1 51 MET H 1 69 SER HA . . 5.040 5.020 4.908 5.084 0.044 2 0 "[ . 1 . 2]" 1
50 1 51 MET H 1 51 MET QB . . 3.480 2.370 2.228 2.472 . 0 0 "[ . 1 . 2]" 1
51 1 49 GLN H 1 51 MET H . . 4.690 4.300 4.175 4.568 . 0 0 "[ . 1 . 2]" 1
52 1 51 MET H 1 52 VAL H . . 4.930 4.445 4.381 4.500 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL H 1 25 PHE H . . 3.640 3.565 3.339 3.654 0.014 20 0 "[ . 1 . 2]" 1
54 1 25 PHE H 1 25 PHE QE . . 3.940 4.010 3.998 4.023 0.083 7 0 "[ . 1 . 2]" 1
55 1 49 GLN H 1 49 GLN HB3 . . 3.700 3.503 3.464 3.582 . 0 0 "[ . 1 . 2]" 1
56 1 25 PHE HA 1 30 VAL H . . 5.500 5.505 5.467 5.529 0.029 19 0 "[ . 1 . 2]" 1
57 1 30 VAL H 1 30 VAL MG1 . . 3.220 2.389 2.337 2.451 . 0 0 "[ . 1 . 2]" 1
58 1 73 PRO HG2 1 74 SER H . . 4.560 3.012 2.759 3.223 . 0 0 "[ . 1 . 2]" 1
59 1 72 ASP HA 1 74 SER H . . 4.410 3.546 3.267 3.677 . 0 0 "[ . 1 . 2]" 1
60 1 74 SER H 1 74 SER QB . . 3.140 2.578 2.198 2.685 . 0 0 "[ . 1 . 2]" 1
61 1 73 PRO QB 1 74 SER H . . 4.260 3.725 3.524 3.867 . 0 0 "[ . 1 . 2]" 1
62 1 14 ILE MG 1 59 LEU H . . 5.400 3.899 3.639 4.241 . 0 0 "[ . 1 . 2]" 1
63 1 59 LEU H 1 59 LEU HB2 . . 3.530 2.488 2.420 2.559 . 0 0 "[ . 1 . 2]" 1
64 1 4 GLN H 1 5 VAL H . . 4.370 4.387 4.331 4.411 0.041 5 0 "[ . 1 . 2]" 1
65 1 49 GLN H 1 49 GLN HB2 . . 3.700 2.280 2.164 2.663 . 0 0 "[ . 1 . 2]" 1
66 1 74 SER H 1 75 PRO QD . . 3.190 2.833 2.635 2.971 . 0 0 "[ . 1 . 2]" 1
67 1 83 ASN H 1 84 LEU H . . 3.290 2.087 1.850 2.387 . 0 0 "[ . 1 . 2]" 1
68 1 83 ASN HA 1 84 LEU H . . 3.550 3.535 3.460 3.588 0.038 4 0 "[ . 1 . 2]" 1
69 1 84 LEU H 1 85 VAL HA . . 5.130 5.062 4.727 5.214 0.084 16 0 "[ . 1 . 2]" 1
70 1 78 ASP HB2 1 79 MET H . . 3.620 3.720 3.692 3.759 0.139 17 0 "[ . 1 . 2]" 1
71 1 79 MET H 1 79 MET QB . . 3.180 2.455 2.182 2.732 . 0 0 "[ . 1 . 2]" 1
72 1 79 MET H 1 80 LEU HG . . 4.610 4.624 4.519 4.658 0.048 8 0 "[ . 1 . 2]" 1
73 1 62 LEU H 1 62 LEU MD2 . . 4.120 4.059 3.720 4.159 0.039 14 0 "[ . 1 . 2]" 1
74 1 16 HIS QB 1 18 ALA H . . 5.090 4.578 4.507 4.626 . 0 0 "[ . 1 . 2]" 1
75 1 82 LYS H 1 84 LEU H . . 4.780 4.167 3.969 4.485 . 0 0 "[ . 1 . 2]" 1
76 1 16 HIS H 1 17 ALA HA . . 5.350 5.361 5.337 5.374 0.024 4 0 "[ . 1 . 2]" 1
77 1 26 THR HB 1 28 LYS H . . 3.360 2.717 2.595 2.769 . 0 0 "[ . 1 . 2]" 1
78 1 15 LEU H 1 16 HIS H . . 3.500 2.728 2.659 2.768 . 0 0 "[ . 1 . 2]" 1
79 1 13 LYS HA 1 16 HIS H . . 4.020 3.498 3.336 3.596 . 0 0 "[ . 1 . 2]" 1
80 1 16 HIS H 1 17 ALA MB . . 4.780 4.293 4.207 4.331 . 0 0 "[ . 1 . 2]" 1
81 1 16 HIS H 1 20 ALA MB . . 4.540 3.949 3.875 3.987 . 0 0 "[ . 1 . 2]" 1
82 1 77 TYR H 1 77 TYR HB2 . . 3.540 2.376 2.277 2.538 . 0 0 "[ . 1 . 2]" 1
83 1 76 LEU HG 1 77 TYR H . . 5.020 3.290 2.081 4.453 . 0 0 "[ . 1 . 2]" 1
84 1 73 PRO QB 1 77 TYR H . . 5.120 4.344 3.814 4.744 . 0 0 "[ . 1 . 2]" 1
85 1 76 LEU H 1 78 ASP H . . 4.560 3.967 3.799 4.187 . 0 0 "[ . 1 . 2]" 1
86 1 75 PRO QD 1 76 LEU H . . 3.840 2.945 2.488 3.119 . 0 0 "[ . 1 . 2]" 1
87 1 75 PRO HG3 1 76 LEU H . . 4.620 4.342 4.214 4.565 . 0 0 "[ . 1 . 2]" 1
88 1 76 LEU H 1 76 LEU HB2 . . 3.490 2.944 2.421 3.546 0.056 8 0 "[ . 1 . 2]" 1
89 1 76 LEU H 1 76 LEU HB3 . . 3.490 2.914 2.189 3.581 0.091 9 0 "[ . 1 . 2]" 1
90 1 21 GLN H 1 25 PHE HZ . . 5.190 5.193 5.082 5.213 0.023 11 0 "[ . 1 . 2]" 1
91 1 80 LEU H 1 81 ARG H . . 3.590 2.459 2.403 2.537 . 0 0 "[ . 1 . 2]" 1
92 1 81 ARG H 1 82 LYS H . . 3.360 3.092 2.935 3.208 . 0 0 "[ . 1 . 2]" 1
93 1 81 ARG H 1 81 ARG QB . . 2.720 2.318 2.152 2.474 . 0 0 "[ . 1 . 2]" 1
94 1 33 TYR H 1 33 TYR QD . . 3.780 3.023 2.971 3.124 . 0 0 "[ . 1 . 2]" 1
95 1 32 HIS HD2 1 33 TYR H . . 4.860 3.889 3.589 4.117 . 0 0 "[ . 1 . 2]" 1
96 1 54 CYS H 1 67 SER HA . . 3.690 3.115 2.903 3.344 . 0 0 "[ . 1 . 2]" 1
97 1 53 TYR QD 1 54 CYS H . . 4.690 4.146 3.834 4.397 . 0 0 "[ . 1 . 2]" 1
98 1 41 LYS H 1 42 GLN H . . 3.190 2.741 2.684 2.843 . 0 0 "[ . 1 . 2]" 1
99 1 38 ILE HA 1 41 LYS H . . 4.690 3.647 3.523 3.750 . 0 0 "[ . 1 . 2]" 1
100 1 41 LYS H 1 41 LYS HB2 . . 3.720 2.444 2.343 2.497 . 0 0 "[ . 1 . 2]" 1
101 1 15 LEU H 1 16 HIS QB . . 4.470 4.515 4.490 4.535 0.065 11 0 "[ . 1 . 2]" 1
102 1 38 ILE H 1 38 ILE HB . . 2.980 2.464 2.381 2.589 . 0 0 "[ . 1 . 2]" 1
103 1 69 SER HA 1 71 LYS H . . 4.820 3.825 3.659 4.046 . 0 0 "[ . 1 . 2]" 1
104 1 71 LYS H 1 71 LYS HB2 . . 3.950 2.481 2.374 2.744 . 0 0 "[ . 1 . 2]" 1
105 1 70 VAL H 1 71 LYS H . . 3.810 2.665 2.588 2.851 . 0 0 "[ . 1 . 2]" 1
106 1 71 LYS H 1 71 LYS HB3 . . 3.950 3.637 3.606 3.667 . 0 0 "[ . 1 . 2]" 1
107 1 38 ILE HA 1 43 LEU H . . 4.200 3.023 2.967 3.117 . 0 0 "[ . 1 . 2]" 1
108 1 38 ILE HA 1 42 GLN H . . 4.870 3.967 3.834 4.073 . 0 0 "[ . 1 . 2]" 1
109 1 39 MET H 1 40 VAL H . . 3.650 2.910 2.806 2.978 . 0 0 "[ . 1 . 2]" 1
110 1 39 MET H 1 39 MET HB2 . . 3.800 2.307 2.250 2.356 . 0 0 "[ . 1 . 2]" 1
111 1 38 ILE MG 1 39 MET H . . 4.500 3.411 3.291 3.571 . 0 0 "[ . 1 . 2]" 1
112 1 39 MET HA 1 42 GLN H . . 4.160 3.686 3.473 3.814 . 0 0 "[ . 1 . 2]" 1
113 1 38 ILE MG 1 42 GLN H . . 4.940 4.204 4.048 4.300 . 0 0 "[ . 1 . 2]" 1
114 1 42 GLN H 1 44 TYR QE . . 4.040 3.813 3.341 4.060 0.020 5 0 "[ . 1 . 2]" 1
115 1 68 PHE H 1 68 PHE QD . . 3.820 3.045 2.867 3.281 . 0 0 "[ . 1 . 2]" 1
116 1 51 MET ME 1 68 PHE H . . 4.970 3.601 3.105 4.513 . 0 0 "[ . 1 . 2]" 1
117 1 52 VAL HB 1 68 PHE H . . 3.830 3.022 2.814 3.120 . 0 0 "[ . 1 . 2]" 1
118 1 62 LEU HA 1 63 LEU H . . 3.520 3.557 3.545 3.567 0.047 6 0 "[ . 1 . 2]" 1
119 1 24 MET H 1 25 PHE H . . 4.780 4.215 4.021 4.418 . 0 0 "[ . 1 . 2]" 1
120 1 22 GLY HA2 1 24 MET H . . 4.430 4.446 4.432 4.454 0.024 2 0 "[ . 1 . 2]" 1
121 1 71 LYS H 1 72 ASP H . . 3.140 2.435 2.245 2.538 . 0 0 "[ . 1 . 2]" 1
122 1 70 VAL H 1 72 ASP H . . 5.130 4.148 3.995 4.324 . 0 0 "[ . 1 . 2]" 1
123 1 13 LYS H 1 14 ILE H . . 3.370 2.965 2.856 3.035 . 0 0 "[ . 1 . 2]" 1
124 1 12 LEU MD1 1 13 LYS H . . 4.810 4.411 3.407 4.713 . 0 0 "[ . 1 . 2]" 1
125 1 82 LYS H 1 83 ASN H . . 3.350 2.515 2.382 2.633 . 0 0 "[ . 1 . 2]" 1
126 1 82 LYS QD 1 83 ASN H . . 4.210 2.552 2.178 2.733 . 0 0 "[ . 1 . 2]" 1
127 1 80 LEU HA 1 83 ASN H . . 4.060 3.381 3.117 3.725 . 0 0 "[ . 1 . 2]" 1
128 1 82 LYS H 1 82 LYS HB2 . . 3.480 3.563 3.504 3.592 0.112 6 0 "[ . 1 . 2]" 1
129 1 4 GLN HA 1 5 VAL H . . 2.960 2.695 2.553 2.815 . 0 0 "[ . 1 . 2]" 1
130 1 68 PHE QD 1 69 SER H . . 4.030 2.931 2.722 3.153 . 0 0 "[ . 1 . 2]" 1
131 1 68 PHE HA 1 69 SER H . . 3.070 2.629 2.514 2.712 . 0 0 "[ . 1 . 2]" 1
132 1 68 PHE HB2 1 69 SER H . . 3.870 2.337 2.206 2.466 . 0 0 "[ . 1 . 2]" 1
133 1 65 ARG H 1 65 ARG QD . . 5.480 3.954 2.458 4.796 . 0 0 "[ . 1 . 2]" 1
134 1 65 ARG H 1 65 ARG HG2 . . 5.010 3.028 2.531 4.837 . 0 0 "[ . 1 . 2]" 1
135 1 63 LEU HB2 1 65 ARG H . . 4.010 2.973 2.677 3.446 . 0 0 "[ . 1 . 2]" 1
136 1 38 ILE MG 1 44 TYR H . . 4.430 3.535 3.059 3.722 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU H 1 12 LEU H . . 3.000 2.552 2.424 2.722 . 0 0 "[ . 1 . 2]" 1
138 1 42 GLN HA 1 44 TYR H . . 3.810 3.296 3.063 3.500 . 0 0 "[ . 1 . 2]" 1
139 1 43 LEU HB3 1 44 TYR H . . 4.970 4.493 4.225 4.551 . 0 0 "[ . 1 . 2]" 1
140 1 42 GLN H 1 44 TYR H . . 5.080 5.128 5.029 5.170 0.090 2 0 "[ . 1 . 2]" 1
141 1 2 ILE H 1 3 ASN HD21 . . 5.360 4.245 3.349 5.364 0.004 3 0 "[ . 1 . 2]" 1
142 1 2 ILE H 1 3 ASN HD22 . . 5.360 5.022 4.640 5.309 . 0 0 "[ . 1 . 2]" 1
143 1 53 TYR QD 1 55 GLY H . . 5.360 4.141 3.740 4.437 . 0 0 "[ . 1 . 2]" 1
144 1 55 GLY H 1 67 SER HA . . 5.500 5.217 4.932 5.516 0.016 4 0 "[ . 1 . 2]" 1
145 1 45 ASP HA 1 46 GLN HE22 . . 4.910 4.385 3.048 4.969 0.059 8 0 "[ . 1 . 2]" 1
146 1 42 GLN H 1 42 GLN HE21 . . 4.410 3.531 2.869 4.101 . 0 0 "[ . 1 . 2]" 1
147 1 45 ASP HA 1 46 GLN HE21 . . 4.910 3.511 2.698 4.930 0.020 13 0 "[ . 1 . 2]" 1
148 1 50 HIS H 1 70 VAL MG2 . . 5.370 4.706 4.224 4.904 . 0 0 "[ . 1 . 2]" 1
149 1 40 VAL HA 1 42 GLN HE22 . . 5.500 4.535 4.287 4.728 . 0 0 "[ . 1 . 2]" 1
150 1 42 GLN H 1 42 GLN HE22 . . 4.410 4.448 4.418 4.489 0.079 16 0 "[ . 1 . 2]" 1
151 1 50 HIS H 1 70 VAL MG1 . . 5.370 5.143 4.679 5.429 0.059 17 0 "[ . 1 . 2]" 1
152 1 50 HIS H 1 71 LYS QZ . . 4.690 4.702 4.632 4.728 0.038 12 0 "[ . 1 . 2]" 1
153 1 21 GLN HB2 1 22 GLY H . . 4.820 4.539 4.215 4.599 . 0 0 "[ . 1 . 2]" 1
154 1 64 GLY H 1 65 ARG H . . 3.230 2.407 2.322 2.475 . 0 0 "[ . 1 . 2]" 1
155 1 59 LEU H 1 60 GLY H . . 3.700 2.956 2.875 3.065 . 0 0 "[ . 1 . 2]" 1
156 1 58 LEU QD 1 60 GLY H . . 5.380 5.207 4.874 5.470 0.090 9 0 "[ . 1 . 2]" 1
157 1 16 HIS HA 1 19 GLY H . . 4.210 2.845 2.669 2.903 . 0 0 "[ . 1 . 2]" 1
158 1 89 THR H 1 89 THR HB . . 3.140 3.158 2.669 3.192 0.052 20 0 "[ . 1 . 2]" 1
159 1 27 VAL HA 1 27 VAL MG1 . . 3.240 2.881 2.460 3.279 0.039 4 0 "[ . 1 . 2]" 1
160 1 30 VAL HA 1 31 MET H . . 3.510 3.538 3.523 3.555 0.045 20 0 "[ . 1 . 2]" 1
161 1 40 VAL HA 1 40 VAL HB . . 2.680 2.514 2.449 2.916 0.236 2 0 "[ . 1 . 2]" 1
162 1 14 ILE HA 1 17 ALA MB . . 3.020 2.613 2.484 2.809 . 0 0 "[ . 1 . 2]" 1
163 1 14 ILE HA 1 14 ILE MD . . 4.060 3.036 2.109 3.850 . 0 0 "[ . 1 . 2]" 1
164 1 52 VAL HA 1 53 TYR H . . 2.730 2.198 2.168 2.255 . 0 0 "[ . 1 . 2]" 1
165 1 61 GLU HA 1 61 GLU QB . . 2.400 2.112 2.107 2.122 . 0 0 "[ . 1 . 2]" 1
166 1 12 LEU HA 1 12 LEU MD1 . . 4.170 2.403 2.134 3.297 . 0 0 "[ . 1 . 2]" 1
167 1 12 LEU HA 1 15 LEU H . . 3.950 3.385 3.241 3.489 . 0 0 "[ . 1 . 2]" 1
168 1 16 HIS HA 1 20 ALA H . . 2.430 2.424 2.330 2.471 0.041 7 0 "[ . 1 . 2]" 1
169 1 71 LYS HA 1 71 LYS HG2 . . 3.830 2.680 2.392 3.346 . 0 0 "[ . 1 . 2]" 1
170 1 76 LEU HA 1 76 LEU MD1 . . 4.640 3.675 2.282 4.038 . 0 0 "[ . 1 . 2]" 1
171 1 67 SER HA 1 68 PHE H . . 2.670 2.149 2.076 2.203 . 0 0 "[ . 1 . 2]" 1
172 1 67 SER HA 1 67 SER HB2 . . 2.910 2.471 2.421 2.513 . 0 0 "[ . 1 . 2]" 1
173 1 67 SER HA 1 67 SER HB3 . . 2.910 2.440 2.394 2.477 . 0 0 "[ . 1 . 2]" 1
174 1 52 VAL HB 1 67 SER HA . . 4.010 3.996 3.781 4.040 0.030 4 0 "[ . 1 . 2]" 1
175 1 41 LYS HA 1 41 LYS QG . . 2.950 2.969 2.653 2.995 0.045 9 0 "[ . 1 . 2]" 1
176 1 41 LYS HA 1 41 LYS HD2 . . 4.180 2.846 2.678 3.847 . 0 0 "[ . 1 . 2]" 1
177 1 87 LEU HA 1 87 LEU MD2 . . 3.630 3.213 2.096 3.713 0.083 16 0 "[ . 1 . 2]" 1
178 1 69 SER HA 1 70 VAL H . . 2.700 2.280 2.159 2.438 . 0 0 "[ . 1 . 2]" 1
179 1 51 MET HA 1 69 SER HA . . 2.910 2.582 2.347 2.917 0.007 12 0 "[ . 1 . 2]" 1
180 1 44 TYR HA 1 45 ASP H . . 2.740 2.443 2.353 2.545 . 0 0 "[ . 1 . 2]" 1
181 1 87 LEU HA 1 87 LEU QB . . 2.690 2.386 2.312 2.547 . 0 0 "[ . 1 . 2]" 1
182 1 24 MET HA 1 25 PHE H . . 2.560 2.226 2.183 2.271 . 0 0 "[ . 1 . 2]" 1
183 1 24 MET HA 1 24 MET HG3 . . 3.670 2.778 2.366 3.699 0.029 10 0 "[ . 1 . 2]" 1
184 1 45 ASP HA 1 46 GLN H . . 2.650 2.173 2.112 2.298 . 0 0 "[ . 1 . 2]" 1
185 1 51 MET HA 1 52 VAL H . . 3.060 2.142 2.082 2.179 . 0 0 "[ . 1 . 2]" 1
186 1 6 ARG HA 1 7 PRO HD2 . . 3.350 2.347 2.105 2.707 . 0 0 "[ . 1 . 2]" 1
187 1 88 ALA HA 1 89 THR H . . 2.880 2.327 2.179 2.678 . 0 0 "[ . 1 . 2]" 1
188 1 20 ALA HA 1 21 GLN H . . 2.670 2.367 2.273 2.453 . 0 0 "[ . 1 . 2]" 1
189 1 7 PRO HD2 1 25 PHE QE . . 4.180 2.404 2.245 2.629 . 0 0 "[ . 1 . 2]" 1
190 1 72 ASP HA 1 73 PRO HD2 . . 3.200 2.288 2.180 2.468 . 0 0 "[ . 1 . 2]" 1
191 1 9 LEU QB 1 10 PRO HD3 . . 3.380 2.315 2.053 2.463 . 0 0 "[ . 1 . 2]" 1
192 1 57 ASP HB3 1 60 GLY H . . 4.080 2.607 2.042 3.308 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLY HA2 1 23 GLU H . . 3.570 2.774 2.713 2.861 . 0 0 "[ . 1 . 2]" 1
194 1 63 LEU MD2 1 65 ARG QD . . 4.800 2.613 2.328 2.998 . 0 0 "[ . 1 . 2]" 1
195 1 63 LEU H 1 63 LEU HB3 . . 3.800 3.480 3.288 3.618 . 0 0 "[ . 1 . 2]" 1
196 1 81 ARG H 1 81 ARG QD . . 4.100 3.926 2.804 4.211 0.111 3 0 "[ . 1 . 2]" 1
197 1 45 ASP H 1 45 ASP HB3 . . 3.530 2.700 2.589 2.807 . 0 0 "[ . 1 . 2]" 1
198 1 84 LEU H 1 84 LEU HB3 . . 3.930 2.676 2.310 3.625 . 0 0 "[ . 1 . 2]" 1
199 1 41 LYS HE2 1 41 LYS QG . . 3.560 3.184 2.542 3.256 . 0 0 "[ . 1 . 2]" 1
200 1 83 ASN HB2 1 84 LEU H . . 3.670 3.339 2.604 3.709 0.039 13 0 "[ . 1 . 2]" 1
201 1 83 ASN H 1 83 ASN HB2 . . 3.740 2.552 2.347 2.721 . 0 0 "[ . 1 . 2]" 1
202 1 37 TYR QE 1 59 LEU HB2 . . 4.200 3.002 2.598 3.387 . 0 0 "[ . 1 . 2]" 1
203 1 62 LEU H 1 62 LEU HB2 . . 3.290 2.527 2.395 2.813 . 0 0 "[ . 1 . 2]" 1
204 1 87 LEU QB 1 88 ALA H . . 3.360 2.932 2.323 3.378 0.018 5 0 "[ . 1 . 2]" 1
205 1 37 TYR QE 1 59 LEU HB3 . . 4.200 2.752 2.442 2.987 . 0 0 "[ . 1 . 2]" 1
206 1 62 LEU H 1 62 LEU HB3 . . 3.290 2.325 2.114 2.469 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU HB2 1 12 LEU H . . 4.450 3.164 2.442 4.063 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU H 1 12 LEU HB2 . . 3.220 2.361 2.271 2.431 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU HB2 1 13 LYS H . . 4.040 3.987 3.905 4.071 0.031 4 0 "[ . 1 . 2]" 1
210 1 72 ASP H 1 72 ASP HB3 . . 3.990 2.849 2.521 3.839 . 0 0 "[ . 1 . 2]" 1
211 1 78 ASP HA 1 78 ASP HB2 . . 2.950 2.545 2.418 2.583 . 0 0 "[ . 1 . 2]" 1
212 1 78 ASP H 1 78 ASP HB3 . . 3.060 2.644 2.415 2.755 . 0 0 "[ . 1 . 2]" 1
213 1 78 ASP HB3 1 79 MET H . . 3.620 2.565 2.392 2.675 . 0 0 "[ . 1 . 2]" 1
214 1 78 ASP HA 1 78 ASP HB3 . . 2.950 3.004 2.995 3.010 0.060 10 0 "[ . 1 . 2]" 1
215 1 33 TYR H 1 33 TYR HB2 . . 3.820 2.634 2.570 2.793 . 0 0 "[ . 1 . 2]" 1
216 1 18 ALA MB 1 37 TYR HB3 . . 3.980 3.472 3.411 3.529 . 0 0 "[ . 1 . 2]" 1
217 1 2 ILE H 1 2 ILE HB . . 3.300 2.614 2.130 3.399 0.099 3 0 "[ . 1 . 2]" 1
218 1 29 GLU HA 1 29 GLU HG2 . . 3.890 2.687 2.444 3.248 . 0 0 "[ . 1 . 2]" 1
219 1 29 GLU HA 1 29 GLU HG3 . . 3.890 3.152 2.833 3.790 . 0 0 "[ . 1 . 2]" 1
220 1 61 GLU HG2 1 62 LEU HA . . 4.110 3.843 3.709 3.930 . 0 0 "[ . 1 . 2]" 1
221 1 61 GLU HG3 1 62 LEU HA . . 4.110 3.737 3.675 3.913 . 0 0 "[ . 1 . 2]" 1
222 1 61 GLU HA 1 61 GLU HG2 . . 3.930 3.830 3.729 3.881 . 0 0 "[ . 1 . 2]" 1
223 1 23 GLU HA 1 23 GLU HG3 . . 3.670 3.107 2.938 3.727 0.057 7 0 "[ . 1 . 2]" 1
224 1 48 GLU HA 1 48 GLU HG2 . . 3.780 2.441 2.293 3.269 . 0 0 "[ . 1 . 2]" 1
225 1 48 GLU HA 1 48 GLU HG3 . . 3.780 3.028 2.394 3.167 . 0 0 "[ . 1 . 2]" 1
226 1 24 MET QB 1 24 MET ME . . 3.340 2.329 2.187 3.391 0.051 10 0 "[ . 1 . 2]" 1
227 1 49 GLN HA 1 49 GLN HG3 . . 3.890 2.823 2.347 3.910 0.020 12 0 "[ . 1 . 2]" 1
228 1 47 GLN HA 1 47 GLN HG3 . . 3.780 2.693 2.374 3.756 . 0 0 "[ . 1 . 2]" 1
229 1 49 GLN H 1 49 GLN HG2 . . 3.830 3.310 1.910 3.874 0.044 13 0 "[ . 1 . 2]" 1
230 1 49 GLN HA 1 49 GLN HG2 . . 3.890 3.493 3.097 3.672 . 0 0 "[ . 1 . 2]" 1
231 1 49 GLN H 1 49 GLN HG3 . . 3.830 3.588 3.364 3.686 . 0 0 "[ . 1 . 2]" 1
232 1 47 GLN HA 1 47 GLN HG2 . . 3.780 3.356 2.589 3.656 . 0 0 "[ . 1 . 2]" 1
233 1 21 GLN HA 1 21 GLN HG2 . . 3.680 3.154 2.455 3.707 0.027 15 0 "[ . 1 . 2]" 1
234 1 21 GLN HA 1 21 GLN HG3 . . 3.680 2.635 2.413 3.123 . 0 0 "[ . 1 . 2]" 1
235 1 82 LYS H 1 82 LYS HB3 . . 3.480 3.220 2.988 3.374 . 0 0 "[ . 1 . 2]" 1
236 1 36 GLN QG 1 37 TYR H . . 3.750 2.427 2.345 2.510 . 0 0 "[ . 1 . 2]" 1
237 1 36 GLN H 1 36 GLN QG . . 3.320 2.949 2.818 3.036 . 0 0 "[ . 1 . 2]" 1
238 1 8 LYS H 1 8 LYS HB2 . . 3.550 2.251 2.071 2.358 . 0 0 "[ . 1 . 2]" 1
239 1 6 ARG H 1 6 ARG HB3 . . 3.640 2.592 2.284 2.876 . 0 0 "[ . 1 . 2]" 1
240 1 31 MET H 1 31 MET HB2 . . 3.890 3.632 3.592 3.667 . 0 0 "[ . 1 . 2]" 1
241 1 24 MET HA 1 24 MET HG2 . . 3.670 3.023 2.383 3.678 0.008 10 0 "[ . 1 . 2]" 1
242 1 40 VAL H 1 40 VAL HB . . 2.870 2.521 2.281 2.602 . 0 0 "[ . 1 . 2]" 1
243 1 39 MET H 1 39 MET HB3 . . 3.800 2.610 2.534 2.650 . 0 0 "[ . 1 . 2]" 1
244 1 27 VAL H 1 27 VAL HB . . 3.020 2.367 2.257 2.480 . 0 0 "[ . 1 . 2]" 1
245 1 16 HIS H 1 16 HIS QB . . 3.120 2.176 2.130 2.240 . 0 0 "[ . 1 . 2]" 1
246 1 16 HIS QB 1 17 ALA H . . 3.560 2.779 2.712 2.877 . 0 0 "[ . 1 . 2]" 1
247 1 13 LYS HA 1 16 HIS QB . . 3.540 2.582 2.388 2.719 . 0 0 "[ . 1 . 2]" 1
248 1 70 VAL HA 1 70 VAL HB . . 2.970 2.675 2.255 3.002 0.032 18 0 "[ . 1 . 2]" 1
249 1 32 HIS H 1 32 HIS HB2 . . 3.670 2.586 2.491 2.714 . 0 0 "[ . 1 . 2]" 1
250 1 32 HIS H 1 32 HIS HB3 . . 3.670 2.526 2.450 2.594 . 0 0 "[ . 1 . 2]" 1
251 1 70 VAL H 1 70 VAL HB . . 3.430 2.790 2.096 3.558 0.128 4 0 "[ . 1 . 2]" 1
252 1 81 ARG QB 1 81 ARG QD . . 3.370 2.223 2.049 3.008 . 0 0 "[ . 1 . 2]" 1
253 1 47 GLN H 1 47 GLN HB2 . . 3.550 2.352 2.257 2.553 . 0 0 "[ . 1 . 2]" 1
254 1 47 GLN H 1 47 GLN HB3 . . 3.550 3.571 3.534 3.612 0.062 3 0 "[ . 1 . 2]" 1
255 1 82 LYS HA 1 82 LYS QD . . 3.810 3.823 3.579 3.871 0.061 7 0 "[ . 1 . 2]" 1
256 1 61 GLU QB 1 62 LEU H . . 3.270 3.296 3.279 3.312 0.042 19 0 "[ . 1 . 2]" 1
257 1 46 GLN H 1 46 GLN HB2 . . 3.520 3.065 2.625 3.546 0.026 2 0 "[ . 1 . 2]" 1
258 1 36 GLN H 1 36 GLN QB . . 3.590 2.250 2.217 2.301 . 0 0 "[ . 1 . 2]" 1
259 1 75 PRO HG2 1 76 LEU H . . 4.620 2.920 2.651 4.198 . 0 0 "[ . 1 . 2]" 1
260 1 34 LEU H 1 34 LEU HG . . 3.620 2.473 2.161 3.715 0.095 18 0 "[ . 1 . 2]" 1
261 1 58 LEU HA 1 58 LEU HG . . 3.770 2.910 2.399 3.727 . 0 0 "[ . 1 . 2]" 1
262 1 63 LEU H 1 63 LEU HG . . 3.920 2.971 2.634 3.575 . 0 0 "[ . 1 . 2]" 1
263 1 62 LEU HG 1 63 LEU H . . 4.220 3.884 3.228 4.342 0.122 19 0 "[ . 1 . 2]" 1
264 1 15 LEU H 1 15 LEU MD2 . . 3.630 3.383 3.046 3.666 0.036 4 0 "[ . 1 . 2]" 1
265 1 34 LEU H 1 34 LEU MD1 . . 4.260 3.543 2.129 4.066 . 0 0 "[ . 1 . 2]" 1
266 1 84 LEU H 1 84 LEU HG . . 4.180 3.999 3.145 4.341 0.161 16 0 "[ . 1 . 2]" 1
267 1 13 LYS HA 1 13 LYS QG . . 3.840 2.470 2.436 2.521 . 0 0 "[ . 1 . 2]" 1
268 1 71 LYS HA 1 71 LYS HG3 . . 3.830 3.177 2.889 3.858 0.028 16 0 "[ . 1 . 2]" 1
269 1 41 LYS HE3 1 41 LYS QG . . 3.560 2.213 2.133 2.263 . 0 0 "[ . 1 . 2]" 1
270 1 12 LEU HA 1 12 LEU MD2 . . 4.170 3.542 2.148 3.913 . 0 0 "[ . 1 . 2]" 1
271 1 76 LEU MD1 1 77 TYR QD . . 5.090 3.536 3.158 5.121 0.031 6 0 "[ . 1 . 2]" 1
272 1 41 LYS H 1 41 LYS QG . . 3.530 2.373 2.283 2.423 . 0 0 "[ . 1 . 2]" 1
273 1 62 LEU H 1 62 LEU QD . . 4.160 3.650 3.484 3.702 . 0 0 "[ . 1 . 2]" 1
274 1 62 LEU QD 1 63 LEU HG . . 3.250 3.630 2.026 4.860 1.610 1 11 "[+ .* * * * *-*** *]" 1
275 1 62 LEU HA 1 62 LEU QD . . 3.970 2.443 2.099 3.325 . 0 0 "[ . 1 . 2]" 1
276 1 34 LEU H 1 34 LEU MD2 . . 4.260 3.292 2.280 3.998 . 0 0 "[ . 1 . 2]" 1
277 1 15 LEU H 1 15 LEU MD1 . . 3.630 2.169 2.062 2.317 . 0 0 "[ . 1 . 2]" 1
278 1 15 LEU HA 1 15 LEU MD1 . . 4.590 2.500 2.243 2.916 . 0 0 "[ . 1 . 2]" 1
279 1 26 THR HA 1 26 THR MG . . 3.280 2.343 2.206 2.475 . 0 0 "[ . 1 . 2]" 1
280 1 26 THR H 1 26 THR MG . . 2.990 2.609 2.379 2.998 0.008 11 0 "[ . 1 . 2]" 1
281 1 40 VAL MG1 1 41 LYS H . . 3.680 2.361 2.241 3.221 . 0 0 "[ . 1 . 2]" 1
282 1 86 THR HA 1 86 THR MG . . 3.360 3.255 3.218 3.276 . 0 0 "[ . 1 . 2]" 1
283 1 85 VAL H 1 85 VAL MG1 . . 4.110 3.738 2.186 4.002 . 0 0 "[ . 1 . 2]" 1
284 1 52 VAL MG1 1 68 PHE QE . . 3.490 2.663 2.475 2.923 . 0 0 "[ . 1 . 2]" 1
285 1 52 VAL HA 1 52 VAL MG1 . . 3.450 2.316 2.244 2.379 . 0 0 "[ . 1 . 2]" 1
286 1 52 VAL HA 1 52 VAL MG2 . . 3.450 2.473 2.417 2.511 . 0 0 "[ . 1 . 2]" 1
287 1 18 ALA MB 1 37 TYR HB2 . . 3.980 2.024 1.993 2.051 . 0 0 "[ . 1 . 2]" 1
288 1 18 ALA H 1 18 ALA MB . . 2.820 2.191 2.152 2.223 . 0 0 "[ . 1 . 2]" 1
289 1 18 ALA MB 1 37 TYR H . . 3.320 2.881 2.794 2.945 . 0 0 "[ . 1 . 2]" 1
290 1 18 ALA MB 1 19 GLY H . . 3.080 3.027 2.960 3.082 0.002 3 0 "[ . 1 . 2]" 1
291 1 86 THR MG 1 88 ALA MB . . 3.050 2.528 2.090 3.062 0.012 4 0 "[ . 1 . 2]" 1
292 1 38 ILE MG 1 43 LEU H . . 4.360 2.262 2.062 2.511 . 0 0 "[ . 1 . 2]" 1
293 1 38 ILE H 1 38 ILE MG . . 4.020 3.779 3.743 3.831 . 0 0 "[ . 1 . 2]" 1
294 1 38 ILE MG 1 43 LEU HA . . 3.930 3.990 3.972 4.034 0.104 12 0 "[ . 1 . 2]" 1
295 1 38 ILE MG 1 44 TYR QD . . 3.480 2.051 2.009 2.104 . 0 0 "[ . 1 . 2]" 1
296 1 38 ILE MG 1 42 GLN HA . . 4.200 3.610 3.324 3.786 . 0 0 "[ . 1 . 2]" 1
297 1 16 HIS QB 1 17 ALA MB . . 4.460 4.013 3.905 4.149 . 0 0 "[ . 1 . 2]" 1
298 1 2 ILE HA 1 2 ILE MG . . 3.010 2.580 2.389 2.723 . 0 0 "[ . 1 . 2]" 1
299 1 31 MET ME 1 77 TYR QE . . 3.860 2.732 2.275 3.170 . 0 0 "[ . 1 . 2]" 1
300 1 39 MET HA 1 39 MET ME . . 3.000 2.896 2.384 3.014 0.014 10 0 "[ . 1 . 2]" 1
301 1 51 MET ME 1 52 VAL H . . 3.600 3.525 3.150 3.610 0.010 5 0 "[ . 1 . 2]" 1
302 1 38 ILE H 1 38 ILE MD . . 3.700 3.085 3.029 3.111 . 0 0 "[ . 1 . 2]" 1
303 1 14 ILE MG 1 15 LEU H . . 3.330 3.327 3.220 3.377 0.047 9 0 "[ . 1 . 2]" 1
304 1 14 ILE HA 1 14 ILE MG . . 3.140 2.418 2.317 2.521 . 0 0 "[ . 1 . 2]" 1
305 1 14 ILE MD 1 14 ILE MG . . 3.580 2.365 2.155 3.297 . 0 0 "[ . 1 . 2]" 1
306 1 38 ILE MG 1 44 TYR QR . . 3.510 2.039 1.998 2.089 . 0 0 "[ . 1 . 2]" 1
307 1 42 GLN HA 1 44 TYR QR . . 4.160 2.372 2.089 2.712 . 0 0 "[ . 1 . 2]" 1
308 1 39 MET ME 1 44 TYR QR . . 4.590 2.926 2.322 3.348 . 0 0 "[ . 1 . 2]" 1
309 1 39 MET HA 1 44 TYR QR . . 3.430 2.269 2.122 2.370 . 0 0 "[ . 1 . 2]" 1
310 1 42 GLN H 1 44 TYR QR . . 4.180 3.659 3.241 3.899 . 0 0 "[ . 1 . 2]" 1
311 1 20 ALA MB 1 33 TYR QD . . 4.000 3.182 3.030 3.330 . 0 0 "[ . 1 . 2]" 1
312 1 32 HIS H 1 33 TYR QD . . 4.690 4.701 4.687 4.723 0.033 11 0 "[ . 1 . 2]" 1
313 1 37 TYR HA 1 37 TYR QD . . 3.960 3.103 2.960 3.254 . 0 0 "[ . 1 . 2]" 1
314 1 37 TYR QD 1 41 LYS QG . . 3.730 3.156 3.049 3.232 . 0 0 "[ . 1 . 2]" 1
315 1 63 LEU HB3 1 68 PHE QD . . 5.050 4.585 4.393 4.757 . 0 0 "[ . 1 . 2]" 1
316 1 31 MET ME 1 77 TYR QD . . 4.400 4.310 3.741 4.429 0.029 16 0 "[ . 1 . 2]" 1
317 1 77 TYR H 1 77 TYR QD . . 4.000 2.220 1.954 2.842 . 0 0 "[ . 1 . 2]" 1
318 1 76 LEU HG 1 77 TYR QD . . 4.450 3.630 2.183 4.522 0.072 9 0 "[ . 1 . 2]" 1
319 1 67 SER HA 1 68 PHE QE . . 4.410 4.448 4.433 4.462 0.052 2 0 "[ . 1 . 2]" 1
320 1 68 PHE H 1 68 PHE QE . . 5.160 4.504 4.406 4.603 . 0 0 "[ . 1 . 2]" 1
321 1 52 VAL MG2 1 68 PHE QE . . 3.490 2.733 2.478 2.925 . 0 0 "[ . 1 . 2]" 1
322 1 20 ALA MB 1 25 PHE HZ . . 3.790 2.904 2.776 3.004 . 0 0 "[ . 1 . 2]" 1
323 1 38 ILE HG12 1 68 PHE HZ . . 4.620 3.737 3.406 3.970 . 0 0 "[ . 1 . 2]" 1
324 1 50 HIS HD2 1 70 VAL MG1 . . 4.830 4.646 2.674 4.880 0.050 20 0 "[ . 1 . 2]" 1
325 1 73 PRO QB 1 77 TYR QE . . 3.420 2.338 2.137 2.972 . 0 0 "[ . 1 . 2]" 1
326 1 37 TYR QE 1 38 ILE HA . . 4.470 4.372 4.269 4.476 0.006 3 0 "[ . 1 . 2]" 1
327 1 37 TYR QE 1 41 LYS QG . . 3.480 2.870 2.746 3.419 . 0 0 "[ . 1 . 2]" 1
328 1 37 TYR QE 1 43 LEU HG . . 3.940 3.988 3.955 4.068 0.128 5 0 "[ . 1 . 2]" 1
329 1 16 HIS HD2 1 20 ALA MB . . 3.500 2.120 2.075 2.159 . 0 0 "[ . 1 . 2]" 1
330 1 16 HIS H 1 16 HIS HD2 . . 4.100 3.004 2.850 3.195 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1251
_Distance_constraint_stats_list.Viol_count 3399
_Distance_constraint_stats_list.Viol_total 8884.136
_Distance_constraint_stats_list.Viol_max 1.997
_Distance_constraint_stats_list.Viol_rms 0.1009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0178
_Distance_constraint_stats_list.Viol_average_violations_only 0.1307
_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 1 GLN 0.501 0.068 9 0 "[ . 1 . 2]"
1 2 ILE 4.756 0.100 15 0 "[ . 1 . 2]"
1 3 ASN 5.363 0.121 5 0 "[ . 1 . 2]"
1 4 GLN 4.707 0.146 14 0 "[ . 1 . 2]"
1 5 VAL 24.597 1.192 12 12 "[-***. ***1*+ ** * 2]"
1 6 ARG 2.125 0.864 17 2 "[ . 1- . + 2]"
1 7 PRO 1.330 0.339 18 0 "[ . 1 . 2]"
1 8 LYS 22.743 1.084 5 13 "[ **+** *-* **.** *2]"
1 9 LEU 32.063 1.084 5 18 "[* **+****-****.*****]"
1 10 PRO 41.291 1.477 8 14 "[* *-***+**** *. * *]"
1 11 LEU 54.545 1.477 8 15 "[**- ***+******. * *]"
1 12 LEU 64.711 0.919 13 18 "[ *****-*****+******2]"
1 13 LYS 50.173 0.919 13 16 "[ ********- *+*** **2]"
1 14 ILE 15.517 0.802 14 9 "[ -*** 1 +** **2]"
1 15 LEU 13.374 0.755 13 8 "[ **** -* *+ . 2]"
1 16 HIS 1.019 0.068 11 0 "[ . 1 . 2]"
1 17 ALA 8.035 0.530 18 1 "[ . 1 . + 2]"
1 18 ALA 1.853 0.105 2 0 "[ . 1 . 2]"
1 19 GLY 2.043 0.068 11 0 "[ . 1 . 2]"
1 20 ALA 1.125 0.043 7 0 "[ . 1 . 2]"
1 21 GLN 0.648 0.048 15 0 "[ . 1 . 2]"
1 22 GLY 0.560 0.048 15 0 "[ . 1 . 2]"
1 23 GLU 0.432 0.037 4 0 "[ . 1 . 2]"
1 24 MET 2.377 0.121 8 0 "[ . 1 . 2]"
1 25 PHE 20.438 1.192 12 12 "[****. ***1-+ ** * 2]"
1 26 THR 3.612 0.146 14 0 "[ . 1 . 2]"
1 27 VAL 2.371 0.074 19 0 "[ . 1 . 2]"
1 28 LYS 8.268 0.250 6 0 "[ . 1 . 2]"
1 29 GLU 0.311 0.065 7 0 "[ . 1 . 2]"
1 30 VAL 6.942 0.250 6 0 "[ . 1 . 2]"
1 31 MET 2.685 0.138 16 0 "[ . 1 . 2]"
1 32 HIS 0.357 0.026 2 0 "[ . 1 . 2]"
1 33 TYR 6.129 0.500 3 0 "[ . 1 . 2]"
1 34 LEU 14.619 0.755 13 9 "[ **** ** *+ . -]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 2.552 0.111 7 0 "[ . 1 . 2]"
1 37 TYR 5.708 0.668 2 2 "[-+ . 1 . 2]"
1 38 ILE 1.613 0.100 9 0 "[ . 1 . 2]"
1 39 MET 16.511 1.008 13 17 "[- *******1**+***** *]"
1 40 VAL 25.068 1.008 13 18 "[-********1**+***** *]"
1 41 LYS 11.105 0.437 3 0 "[ . 1 . 2]"
1 42 GLN 8.636 0.441 2 0 "[ . 1 . 2]"
1 43 LEU 10.243 0.437 3 0 "[ . 1 . 2]"
1 44 TYR 6.556 0.177 3 0 "[ . 1 . 2]"
1 45 ASP 0.915 0.080 10 0 "[ . 1 . 2]"
1 46 GLN 4.600 0.261 14 0 "[ . 1 . 2]"
1 47 GLN 2.641 0.139 20 0 "[ . 1 . 2]"
1 48 GLU 0.986 0.096 12 0 "[ . 1 . 2]"
1 49 GLN 2.691 0.100 14 0 "[ . 1 . 2]"
1 50 HIS 3.247 0.249 9 0 "[ . 1 . 2]"
1 51 MET 0.234 0.108 9 0 "[ . 1 . 2]"
1 52 VAL 2.338 0.128 15 0 "[ . 1 . 2]"
1 53 TYR 1.561 0.079 9 0 "[ . 1 . 2]"
1 54 CYS 1.476 0.083 15 0 "[ . 1 . 2]"
1 55 GLY 0.323 0.024 17 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 1.301 0.123 4 0 "[ . 1 . 2]"
1 58 LEU 20.051 0.848 9 7 "[ *-*. +* * *]"
1 59 LEU 16.810 0.657 19 2 "[ - 1 . +2]"
1 60 GLY 0.188 0.044 7 0 "[ . 1 . 2]"
1 61 GLU 18.037 0.797 15 4 "[ **. -1 + 2]"
1 62 LEU 32.733 1.997 1 16 "[+* -*** *** *******]"
1 63 LEU 24.742 1.997 1 16 "[+* **-* *** *******]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 2.580 0.084 19 0 "[ . 1 . 2]"
1 66 GLN 3.642 0.121 5 0 "[ . 1 . 2]"
1 67 SER 3.488 0.121 5 0 "[ . 1 . 2]"
1 68 PHE 15.866 0.619 13 6 "[ ***. *1 + . -]"
1 69 SER 0.896 0.110 12 0 "[ . 1 . 2]"
1 70 VAL 6.860 0.311 2 0 "[ . 1 . 2]"
1 71 LYS 0.069 0.015 11 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.148 0.036 11 0 "[ . 1 . 2]"
1 74 SER 0.343 0.044 3 0 "[ . 1 . 2]"
1 75 PRO 0.937 0.110 13 0 "[ . 1 . 2]"
1 76 LEU 1.470 0.081 19 0 "[ . 1 . 2]"
1 77 TYR 2.837 0.214 15 0 "[ . 1 . 2]"
1 78 ASP 4.229 0.415 10 0 "[ . 1 . 2]"
1 79 MET 3.681 0.424 10 0 "[ . 1 . 2]"
1 80 LEU 18.847 0.783 7 14 "[*** **+ *1** *. *-**]"
1 81 ARG 5.122 0.102 3 0 "[ . 1 . 2]"
1 82 LYS 18.557 1.049 10 14 "[*** . *+** **-****]"
1 83 ASN 31.739 1.258 1 15 "[+** . * **** -******]"
1 84 LEU 60.467 1.157 10 18 "[*** *** *+***-******]"
1 85 VAL 1.512 0.147 4 0 "[ . 1 . 2]"
1 86 THR 14.582 0.895 13 6 "[- * . *1 +*. * 2]"
1 87 LEU 12.883 0.953 19 12 "[ ** **** * -* * * +2]"
1 88 ALA 11.770 0.953 19 12 "[ ** **** * -* * * +2]"
1 89 THR 0.359 0.061 10 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 68 PHE QD 1 75 PRO QD . . 4.900 4.440 3.809 4.904 0.004 20 0 "[ . 1 . 2]" 2
2 1 68 PHE HA 1 75 PRO QD . . 4.680 4.711 4.688 4.741 0.061 3 0 "[ . 1 . 2]" 2
3 1 74 SER QB 1 75 PRO QD . . 3.590 2.258 2.163 2.315 . 0 0 "[ . 1 . 2]" 2
4 1 63 LEU MD2 1 68 PHE QD . . 3.970 3.511 3.111 3.969 . 0 0 "[ . 1 . 2]" 2
5 1 21 GLN H 1 25 PHE QD . . 4.820 3.954 3.614 4.103 . 0 0 "[ . 1 . 2]" 2
6 1 18 ALA MB 1 37 TYR QD . . 3.550 2.318 2.205 2.560 . 0 0 "[ . 1 . 2]" 2
7 1 53 TYR QD 1 67 SER HA . . 4.260 4.198 4.008 4.269 0.009 17 0 "[ . 1 . 2]" 2
8 1 37 TYR QD 1 38 ILE HA . . 4.310 2.871 2.754 2.988 . 0 0 "[ . 1 . 2]" 2
9 1 67 SER HA 1 68 PHE QD . . 4.390 3.161 2.958 3.303 . 0 0 "[ . 1 . 2]" 2
10 1 52 VAL HB 1 68 PHE QD . . 3.960 3.476 3.270 3.585 . 0 0 "[ . 1 . 2]" 2
11 1 73 PRO HA 1 77 TYR QD . . 5.110 4.688 4.189 5.146 0.036 11 0 "[ . 1 . 2]" 2
12 1 74 SER H 1 77 TYR QD . . 4.610 4.527 4.270 4.654 0.044 3 0 "[ . 1 . 2]" 2
13 1 15 LEU HB2 1 25 PHE QE . . 5.500 4.628 4.341 4.881 . 0 0 "[ . 1 . 2]" 2
14 1 15 LEU HB3 1 25 PHE QE . . 5.500 4.243 4.038 4.452 . 0 0 "[ . 1 . 2]" 2
15 1 52 VAL HB 1 68 PHE QE . . 3.690 3.307 3.171 3.411 . 0 0 "[ . 1 . 2]" 2
16 1 60 GLY QA 1 68 PHE QE . . 4.900 4.745 4.372 4.936 0.036 9 0 "[ . 1 . 2]" 2
17 1 23 GLU HA 1 25 PHE HZ . . 4.770 2.479 2.354 2.698 . 0 0 "[ . 1 . 2]" 2
18 1 38 ILE HG13 1 68 PHE HZ . . 4.620 4.282 3.998 4.483 . 0 0 "[ . 1 . 2]" 2
19 1 50 HIS HD2 1 70 VAL MG2 . . 4.830 4.296 2.268 4.869 0.039 2 0 "[ . 1 . 2]" 2
20 1 20 ALA MB 1 33 TYR QE . . 3.960 3.027 2.886 3.173 . 0 0 "[ . 1 . 2]" 2
21 1 33 TYR HA 1 33 TYR QE . . 4.990 4.508 4.433 4.716 . 0 0 "[ . 1 . 2]" 2
22 1 44 TYR QE 1 46 GLN HA . . 4.130 4.153 4.094 4.182 0.052 10 0 "[ . 1 . 2]" 2
23 1 38 ILE MG 1 44 TYR QE . . 3.770 3.573 3.438 3.770 0.000 8 0 "[ . 1 . 2]" 2
24 1 14 ILE HA 1 37 TYR QE . . 4.120 2.887 2.577 3.297 . 0 0 "[ . 1 . 2]" 2
25 1 50 HIS HD2 1 71 LYS QE . . 5.350 3.511 2.305 4.869 . 0 0 "[ . 1 . 2]" 2
26 1 17 ALA MB 1 37 TYR QE . . 3.440 2.088 1.985 2.308 . 0 0 "[ . 1 . 2]" 2
27 1 14 ILE MG 1 37 TYR QE . . 4.880 3.154 2.846 3.390 . 0 0 "[ . 1 . 2]" 2
28 1 17 ALA H 1 37 TYR QE . . 5.040 4.518 4.350 4.720 . 0 0 "[ . 1 . 2]" 2
29 1 37 TYR QE 1 60 GLY H . . 5.430 5.005 4.568 5.260 . 0 0 "[ . 1 . 2]" 2
30 1 52 VAL MG2 1 68 PHE HZ . . 4.840 3.091 2.816 3.343 . 0 0 "[ . 1 . 2]" 2
31 1 52 VAL MG1 1 68 PHE HZ . . 4.840 2.455 2.312 2.572 . 0 0 "[ . 1 . 2]" 2
32 1 38 ILE MG 1 68 PHE HZ . . 4.490 4.505 4.379 4.532 0.042 16 0 "[ . 1 . 2]" 2
33 1 38 ILE MD 1 68 PHE HZ . . 4.680 2.135 2.059 2.194 . 0 0 "[ . 1 . 2]" 2
34 1 73 PRO HA 1 77 TYR QE . . 5.190 4.803 4.432 5.111 . 0 0 "[ . 1 . 2]" 2
35 1 39 MET HA 1 44 TYR QE . . 3.240 2.290 2.136 2.395 . 0 0 "[ . 1 . 2]" 2
36 1 20 ALA HA 1 33 TYR QE . . 4.010 2.651 2.482 2.857 . 0 0 "[ . 1 . 2]" 2
37 1 45 ASP HB2 1 53 TYR QE . . 4.580 2.363 2.267 2.699 . 0 0 "[ . 1 . 2]" 2
38 1 45 ASP HB2 1 48 GLU H . . 3.990 3.893 3.727 4.032 0.042 9 0 "[ . 1 . 2]" 2
39 1 45 ASP HB3 1 53 TYR QE . . 4.580 3.876 3.555 4.270 . 0 0 "[ . 1 . 2]" 2
40 1 51 MET ME 1 53 TYR QE . . 4.300 3.241 2.644 4.054 . 0 0 "[ . 1 . 2]" 2
41 1 45 ASP H 1 53 TYR QD . . 5.090 3.191 2.865 3.713 . 0 0 "[ . 1 . 2]" 2
42 1 30 VAL H 1 33 TYR QD . . 5.500 4.601 4.437 4.764 . 0 0 "[ . 1 . 2]" 2
43 1 48 GLU QB 1 49 GLN H . . 4.240 3.827 3.676 4.011 . 0 0 "[ . 1 . 2]" 2
44 1 44 TYR QD 1 49 GLN H . . 5.300 4.882 4.629 5.315 0.015 9 0 "[ . 1 . 2]" 2
45 1 53 TYR QD 1 67 SER HB2 . . 4.600 3.828 3.550 4.003 . 0 0 "[ . 1 . 2]" 2
46 1 74 SER HA 1 77 TYR QD . . 3.950 3.208 2.329 3.857 . 0 0 "[ . 1 . 2]" 2
47 1 44 TYR QD 1 49 GLN HA . . 3.970 2.528 2.120 3.185 . 0 0 "[ . 1 . 2]" 2
48 1 44 TYR QD 1 49 GLN HG2 . . 4.650 4.551 4.285 4.663 0.013 5 0 "[ . 1 . 2]" 2
49 1 44 TYR QD 1 49 GLN HG3 . . 4.650 3.493 2.597 4.750 0.100 14 0 "[ . 1 . 2]" 2
50 1 37 TYR QD 1 59 LEU MD1 . . 4.880 4.543 3.454 4.885 0.005 20 0 "[ . 1 . 2]" 2
51 1 37 TYR QD 1 59 LEU MD2 . . 4.880 2.530 2.180 2.757 . 0 0 "[ . 1 . 2]" 2
52 1 17 ALA MB 1 37 TYR QD . . 3.780 2.840 2.599 3.077 . 0 0 "[ . 1 . 2]" 2
53 1 37 TYR QD 1 38 ILE MD . . 5.500 4.155 4.035 4.322 . 0 0 "[ . 1 . 2]" 2
54 1 14 ILE MG 1 37 TYR QD . . 3.730 3.077 2.891 3.297 . 0 0 "[ . 1 . 2]" 2
55 1 51 MET ME 1 53 TYR QD . . 5.030 4.278 2.944 5.053 0.023 8 0 "[ . 1 . 2]" 2
56 1 88 ALA HA 1 89 THR HB . . 4.260 4.209 3.980 4.321 0.061 10 0 "[ . 1 . 2]" 2
57 1 89 THR HA 1 89 THR HB . . 2.980 2.471 2.454 2.592 . 0 0 "[ . 1 . 2]" 2
58 1 86 THR H 1 86 THR HB . . 3.590 3.028 2.750 3.426 . 0 0 "[ . 1 . 2]" 2
59 1 86 THR HB 1 87 LEU H . . 3.550 3.577 3.452 3.643 0.093 2 0 "[ . 1 . 2]" 2
60 1 27 VAL HA 1 86 THR HB . . 5.240 5.000 4.197 5.274 0.034 12 0 "[ . 1 . 2]" 2
61 1 84 LEU HG 1 86 THR HB . . 4.430 3.549 2.313 4.499 0.069 16 0 "[ . 1 . 2]" 2
62 1 27 VAL HA 1 29 GLU H . . 4.940 4.499 4.385 4.741 . 0 0 "[ . 1 . 2]" 2
63 1 27 VAL HA 1 30 VAL H . . 3.890 3.747 3.683 3.800 . 0 0 "[ . 1 . 2]" 2
64 1 15 LEU HG 1 30 VAL HA . . 4.850 3.174 2.832 3.401 . 0 0 "[ . 1 . 2]" 2
65 1 30 VAL HA 1 33 TYR QD . . 4.310 2.101 2.054 2.188 . 0 0 "[ . 1 . 2]" 2
66 1 30 VAL HA 1 33 TYR H . . 4.650 3.682 3.446 3.831 . 0 0 "[ . 1 . 2]" 2
67 1 10 PRO HA 1 13 LYS H . . 3.910 3.595 3.427 3.843 . 0 0 "[ . 1 . 2]" 2
68 1 10 PRO HA 1 58 LEU QD . . 3.910 3.427 2.554 4.459 0.549 3 3 "[ +-. *1 . 2]" 2
69 1 10 PRO HA 1 14 ILE MD . . 5.130 4.698 4.190 5.135 0.005 12 0 "[ . 1 . 2]" 2
70 1 67 SER HB2 1 68 PHE H . . 4.000 2.539 2.422 2.669 . 0 0 "[ . 1 . 2]" 2
71 1 53 TYR QD 1 67 SER HB3 . . 4.600 2.489 2.249 2.590 . 0 0 "[ . 1 . 2]" 2
72 1 67 SER HB3 1 68 PHE H . . 4.000 3.717 3.659 3.771 . 0 0 "[ . 1 . 2]" 2
73 1 75 PRO HA 1 78 ASP H . . 4.370 3.285 3.103 3.668 . 0 0 "[ . 1 . 2]" 2
74 1 10 PRO HA 1 13 LYS QE . . 4.810 3.603 2.937 4.278 . 0 0 "[ . 1 . 2]" 2
75 1 40 VAL HA 1 42 GLN H . . 4.110 3.992 3.897 4.034 . 0 0 "[ . 1 . 2]" 2
76 1 40 VAL HA 1 40 VAL MG1 . . 3.300 3.207 2.531 3.286 . 0 0 "[ . 1 . 2]" 2
77 1 75 PRO HA 1 79 MET H . . 5.120 3.995 3.744 4.254 . 0 0 "[ . 1 . 2]" 2
78 1 38 ILE HA 1 38 ILE HG12 . . 3.720 2.857 2.803 2.939 . 0 0 "[ . 1 . 2]" 2
79 1 38 ILE HA 1 38 ILE HG13 . . 3.720 2.795 2.749 2.854 . 0 0 "[ . 1 . 2]" 2
80 1 38 ILE HA 1 38 ILE MG . . 3.130 2.441 2.376 2.482 . 0 0 "[ . 1 . 2]" 2
81 1 69 SER H 1 69 SER HB2 . . 3.840 3.478 3.158 3.904 0.064 18 0 "[ . 1 . 2]" 2
82 1 74 SER HA 1 78 ASP H . . 4.860 4.304 3.696 4.869 0.009 14 0 "[ . 1 . 2]" 2
83 1 70 VAL HA 1 72 ASP H . . 4.530 3.970 3.700 4.440 . 0 0 "[ . 1 . 2]" 2
84 1 33 TYR HA 1 36 GLN H . . 4.050 3.262 3.144 3.385 . 0 0 "[ . 1 . 2]" 2
85 1 33 TYR HA 1 33 TYR QD . . 3.260 2.389 2.292 2.600 . 0 0 "[ . 1 . 2]" 2
86 1 33 TYR HA 1 36 GLN HE22 . . 4.780 4.430 4.176 4.679 . 0 0 "[ . 1 . 2]" 2
87 1 72 ASP HA 1 73 PRO HA . . 4.750 4.652 4.619 4.678 . 0 0 "[ . 1 . 2]" 2
88 1 88 ALA MB 1 89 THR HA . . 4.590 4.168 4.076 4.340 . 0 0 "[ . 1 . 2]" 2
89 1 18 ALA MB 1 33 TYR HA . . 4.980 3.336 3.237 3.515 . 0 0 "[ . 1 . 2]" 2
90 1 86 THR HA 1 87 LEU H . . 2.860 2.582 2.271 2.927 0.067 8 0 "[ . 1 . 2]" 2
91 1 86 THR HA 1 86 THR HB . . 2.400 2.404 2.332 2.453 0.053 12 0 "[ . 1 . 2]" 2
92 1 5 VAL HB 1 86 THR HA . . 4.070 3.556 2.232 4.155 0.085 20 0 "[ . 1 . 2]" 2
93 1 86 THR HA 1 87 LEU QB . . 5.020 4.357 4.000 4.813 . 0 0 "[ . 1 . 2]" 2
94 1 37 TYR HA 1 40 VAL H . . 4.250 3.664 3.590 3.739 . 0 0 "[ . 1 . 2]" 2
95 1 7 PRO HA 1 8 LYS HA . . 4.880 4.442 4.359 4.514 . 0 0 "[ . 1 . 2]" 2
96 1 85 VAL HA 1 85 VAL MG2 . . 3.210 2.405 2.300 2.459 . 0 0 "[ . 1 . 2]" 2
97 1 85 VAL HA 1 86 THR H . . 3.200 2.501 2.133 3.347 0.147 4 0 "[ . 1 . 2]" 2
98 1 84 LEU HA 1 85 VAL HA . . 4.430 4.428 4.341 4.461 0.031 14 0 "[ . 1 . 2]" 2
99 1 85 VAL HA 1 86 THR MG . . 5.150 3.792 3.485 4.181 . 0 0 "[ . 1 . 2]" 2
100 1 36 GLN QG 1 37 TYR HA . . 3.210 3.305 3.284 3.321 0.111 7 0 "[ . 1 . 2]" 2
101 1 7 PRO HA 1 8 LYS H . . 3.150 2.426 2.344 2.498 . 0 0 "[ . 1 . 2]" 2
102 1 7 PRO HA 1 84 LEU MD1 . . 4.520 2.892 2.275 4.526 0.006 15 0 "[ . 1 . 2]" 2
103 1 74 SER HA 1 74 SER QB . . 2.400 2.353 2.330 2.370 . 0 0 "[ . 1 . 2]" 2
104 1 44 TYR H 1 52 VAL HA . . 4.730 4.672 4.277 4.760 0.030 7 0 "[ . 1 . 2]" 2
105 1 26 THR HA 1 27 VAL H . . 2.990 2.407 2.374 2.468 . 0 0 "[ . 1 . 2]" 2
106 1 5 VAL H 1 26 THR HA . . 4.460 4.287 3.870 4.485 0.025 12 0 "[ . 1 . 2]" 2
107 1 77 TYR HA 1 79 MET H . . 4.480 4.404 4.177 4.500 0.020 3 0 "[ . 1 . 2]" 2
108 1 77 TYR HA 1 77 TYR QD . . 3.750 2.950 2.181 3.128 . 0 0 "[ . 1 . 2]" 2
109 1 2 ILE HA 1 3 ASN H . . 3.560 3.009 2.164 3.548 . 0 0 "[ . 1 . 2]" 2
110 1 2 ILE HA 1 2 ILE HG13 . . 3.950 2.689 2.455 2.962 . 0 0 "[ . 1 . 2]" 2
111 1 44 TYR HA 1 52 VAL HA . . 2.840 2.166 2.017 2.315 . 0 0 "[ . 1 . 2]" 2
112 1 9 LEU HA 1 12 LEU H . . 3.940 3.582 3.343 3.933 . 0 0 "[ . 1 . 2]" 2
113 1 80 LEU H 1 81 ARG HA . . 4.920 4.992 4.972 5.022 0.102 3 0 "[ . 1 . 2]" 2
114 1 13 LYS HA 1 13 LYS QD . . 3.740 2.116 2.044 2.152 . 0 0 "[ . 1 . 2]" 2
115 1 29 GLU HA 1 32 HIS H . . 4.570 3.411 3.179 3.689 . 0 0 "[ . 1 . 2]" 2
116 1 29 GLU HA 1 32 HIS HB2 . . 3.620 3.291 3.034 3.555 . 0 0 "[ . 1 . 2]" 2
117 1 29 GLU HA 1 32 HIS HB3 . . 3.620 2.895 2.573 3.300 . 0 0 "[ . 1 . 2]" 2
118 1 81 ARG HA 1 81 ARG QB . . 2.660 2.276 2.093 2.500 . 0 0 "[ . 1 . 2]" 2
119 1 5 VAL HA 1 6 ARG H . . 3.050 2.238 2.099 2.347 . 0 0 "[ . 1 . 2]" 2
120 1 58 LEU QD 1 61 GLU HA . . 5.320 5.546 5.111 6.117 0.797 15 4 "[ **. -1 + 2]" 2
121 1 79 MET HA 1 79 MET QG . . 3.820 3.340 3.177 3.498 . 0 0 "[ . 1 . 2]" 2
122 1 36 GLN HA 1 36 GLN QG . . 3.530 3.285 3.259 3.310 . 0 0 "[ . 1 . 2]" 2
123 1 36 GLN HA 1 39 MET QB . . 4.240 2.322 2.230 2.414 . 0 0 "[ . 1 . 2]" 2
124 1 80 LEU HA 1 80 LEU HG . . 3.970 3.165 2.910 3.367 . 0 0 "[ . 1 . 2]" 2
125 1 78 ASP HA 1 81 ARG H . . 4.550 3.462 3.035 3.795 . 0 0 "[ . 1 . 2]" 2
126 1 58 LEU HA 1 62 LEU H . . 4.430 4.003 3.847 4.242 . 0 0 "[ . 1 . 2]" 2
127 1 58 LEU HA 1 61 GLU H . . 3.800 3.312 3.202 3.404 . 0 0 "[ . 1 . 2]" 2
128 1 58 LEU HA 1 61 GLU QB . . 3.290 2.735 2.454 2.901 . 0 0 "[ . 1 . 2]" 2
129 1 59 LEU HA 1 59 LEU HG . . 3.680 3.392 3.276 3.460 . 0 0 "[ . 1 . 2]" 2
130 1 14 ILE MD 1 59 LEU HA . . 3.660 2.327 1.957 3.458 . 0 0 "[ . 1 . 2]" 2
131 1 59 LEU HA 1 62 LEU H . . 3.840 3.541 3.336 3.842 0.002 19 0 "[ . 1 . 2]" 2
132 1 14 ILE MG 1 15 LEU HA . . 4.590 3.468 3.399 3.581 . 0 0 "[ . 1 . 2]" 2
133 1 15 LEU HA 1 15 LEU MD2 . . 4.590 3.898 3.863 3.925 . 0 0 "[ . 1 . 2]" 2
134 1 15 LEU HA 1 18 ALA MB . . 4.100 2.881 2.623 3.103 . 0 0 "[ . 1 . 2]" 2
135 1 15 LEU HA 1 33 TYR HB2 . . 4.200 2.939 2.773 3.249 . 0 0 "[ . 1 . 2]" 2
136 1 12 LEU HA 1 15 LEU MD2 . . 4.940 2.404 2.209 2.587 . 0 0 "[ . 1 . 2]" 2
137 1 53 TYR HA 1 54 CYS H . . 2.860 2.232 2.132 2.367 . 0 0 "[ . 1 . 2]" 2
138 1 53 TYR HA 1 53 TYR QD . . 3.650 2.432 2.207 2.547 . 0 0 "[ . 1 . 2]" 2
139 1 78 ASP HA 1 81 ARG QB . . 3.600 3.166 2.420 3.646 0.046 10 0 "[ . 1 . 2]" 2
140 1 15 LEU HA 1 33 TYR HB3 . . 4.200 2.459 2.269 2.740 . 0 0 "[ . 1 . 2]" 2
141 1 25 PHE HA 1 25 PHE QD . . 3.570 3.574 3.518 3.606 0.036 14 0 "[ . 1 . 2]" 2
142 1 2 ILE MD 1 25 PHE HA . . 5.230 3.224 3.100 3.482 . 0 0 "[ . 1 . 2]" 2
143 1 25 PHE HA 1 26 THR H . . 3.020 2.369 2.286 2.453 . 0 0 "[ . 1 . 2]" 2
144 1 25 PHE HA 1 26 THR MG . . 4.750 3.889 3.675 4.243 . 0 0 "[ . 1 . 2]" 2
145 1 39 MET HA 1 40 VAL HA . . 4.760 4.747 4.724 4.802 0.042 2 0 "[ . 1 . 2]" 2
146 1 54 CYS H 1 66 GLN HA . . 4.240 3.458 3.304 3.579 . 0 0 "[ . 1 . 2]" 2
147 1 66 GLN HA 1 67 SER HA . . 4.700 4.486 4.403 4.523 . 0 0 "[ . 1 . 2]" 2
148 1 65 ARG HA 1 66 GLN HA . . 4.510 4.363 4.300 4.494 . 0 0 "[ . 1 . 2]" 2
149 1 66 GLN HA 1 66 GLN QG . . 3.560 3.329 2.289 3.557 . 0 0 "[ . 1 . 2]" 2
150 1 61 GLU H 1 62 LEU HA . . 5.370 5.365 5.327 5.377 0.007 7 0 "[ . 1 . 2]" 2
151 1 76 LEU HA 1 79 MET H . . 4.130 3.460 3.234 3.667 . 0 0 "[ . 1 . 2]" 2
152 1 76 LEU HA 1 76 LEU MD2 . . 4.640 3.175 2.188 4.159 . 0 0 "[ . 1 . 2]" 2
153 1 63 LEU HA 1 76 LEU HA . . 4.790 4.807 4.501 4.871 0.081 19 0 "[ . 1 . 2]" 2
154 1 53 TYR HA 1 67 SER HA . . 3.030 2.963 2.833 3.109 0.079 9 0 "[ . 1 . 2]" 2
155 1 54 CYS HA 1 66 GLN HA . . 4.940 4.994 4.967 5.023 0.083 15 0 "[ . 1 . 2]" 2
156 1 63 LEU HA 1 79 MET QB . . 4.600 2.711 2.089 3.388 . 0 0 "[ . 1 . 2]" 2
157 1 42 GLN HA 1 43 LEU H . . 3.110 2.344 2.305 2.381 . 0 0 "[ . 1 . 2]" 2
158 1 42 GLN HA 1 44 TYR QE . . 2.960 2.455 2.147 2.829 . 0 0 "[ . 1 . 2]" 2
159 1 11 LEU HA 1 14 ILE MD . . 4.250 2.991 2.053 4.256 0.006 2 0 "[ . 1 . 2]" 2
160 1 11 LEU HA 1 58 LEU QD . . 4.920 4.869 4.046 5.768 0.848 9 4 "[ *- . +1 . *]" 2
161 1 41 LYS HA 1 41 LYS QE . . 5.070 4.162 4.090 4.343 . 0 0 "[ . 1 . 2]" 2
162 1 68 PHE QD 1 69 SER HA . . 5.100 3.800 3.445 4.130 . 0 0 "[ . 1 . 2]" 2
163 1 17 ALA HA 1 37 TYR QD . . 4.930 4.963 4.934 4.978 0.048 15 0 "[ . 1 . 2]" 2
164 1 5 VAL HA 1 24 MET HA . . 3.790 3.880 3.842 3.911 0.121 8 0 "[ . 1 . 2]" 2
165 1 21 GLN HA 1 22 GLY H . . 2.870 2.898 2.885 2.918 0.048 15 0 "[ . 1 . 2]" 2
166 1 21 GLN HA 1 21 GLN QG . . 3.590 2.493 2.298 2.968 . 0 0 "[ . 1 . 2]" 2
167 1 20 ALA MB 1 21 GLN HA . . 5.120 4.306 4.238 4.364 . 0 0 "[ . 1 . 2]" 2
168 1 24 MET HA 1 24 MET QB . . 2.600 2.399 2.107 2.468 . 0 0 "[ . 1 . 2]" 2
169 1 2 ILE MG 1 24 MET HA . . 5.290 4.551 4.379 4.767 . 0 0 "[ . 1 . 2]" 2
170 1 6 ARG HA 1 24 MET HA . . 3.830 2.891 2.641 3.239 . 0 0 "[ . 1 . 2]" 2
171 1 6 ARG HB2 1 24 MET HA . . 4.870 3.906 3.246 4.634 . 0 0 "[ . 1 . 2]" 2
172 1 6 ARG HA 1 25 PHE QE . . 4.820 3.508 3.194 3.892 . 0 0 "[ . 1 . 2]" 2
173 1 57 ASP HA 1 58 LEU HA . . 4.680 4.394 4.258 4.489 . 0 0 "[ . 1 . 2]" 2
174 1 57 ASP HA 1 58 LEU H . . 3.550 2.390 2.327 2.439 . 0 0 "[ . 1 . 2]" 2
175 1 87 LEU QB 1 88 ALA HA . . 4.200 4.189 4.026 4.221 0.021 9 0 "[ . 1 . 2]" 2
176 1 86 THR MG 1 88 ALA HA . . 5.090 4.089 3.003 4.623 . 0 0 "[ . 1 . 2]" 2
177 1 6 ARG HA 1 6 ARG HG3 . . 3.970 3.195 2.495 3.839 . 0 0 "[ . 1 . 2]" 2
178 1 6 ARG HA 1 7 PRO HD3 . . 3.350 2.287 2.035 2.506 . 0 0 "[ . 1 . 2]" 2
179 1 6 ARG HA 1 6 ARG HG2 . . 3.970 3.591 3.249 3.894 . 0 0 "[ . 1 . 2]" 2
180 1 6 ARG HA 1 6 ARG QD . . 4.810 4.164 3.865 4.552 . 0 0 "[ . 1 . 2]" 2
181 1 18 ALA HA 1 37 TYR HA . . 3.920 3.173 2.963 3.483 . 0 0 "[ . 1 . 2]" 2
182 1 18 ALA MB 1 20 ALA HA . . 4.850 4.583 4.407 4.727 . 0 0 "[ . 1 . 2]" 2
183 1 17 ALA H 1 18 ALA HA . . 5.270 5.329 5.319 5.348 0.078 3 0 "[ . 1 . 2]" 2
184 1 18 ALA HA 1 36 GLN QG . . 5.000 3.609 3.516 3.749 . 0 0 "[ . 1 . 2]" 2
185 1 7 PRO HD3 1 25 PHE QE . . 4.180 2.513 2.243 2.768 . 0 0 "[ . 1 . 2]" 2
186 1 72 ASP HA 1 73 PRO HD3 . . 3.200 2.844 2.653 2.977 . 0 0 "[ . 1 . 2]" 2
187 1 9 LEU QB 1 10 PRO HD2 . . 3.380 2.808 2.487 3.404 0.024 20 0 "[ . 1 . 2]" 2
188 1 54 CYS HB3 1 60 GLY QA . . 4.350 2.490 2.193 2.751 . 0 0 "[ . 1 . 2]" 2
189 1 59 LEU HG 1 60 GLY QA . . 4.070 3.749 3.451 3.909 . 0 0 "[ . 1 . 2]" 2
190 1 54 CYS HB2 1 60 GLY QA . . 4.350 2.591 2.443 2.857 . 0 0 "[ . 1 . 2]" 2
191 1 57 ASP HB2 1 60 GLY H . . 4.080 3.836 2.565 4.124 0.044 7 0 "[ . 1 . 2]" 2
192 1 55 GLY HA2 1 66 GLN QG . . 4.810 4.457 2.343 4.816 0.006 10 0 "[ . 1 . 2]" 2
193 1 55 GLY HA3 1 66 GLN QG . . 4.810 4.446 2.944 4.769 . 0 0 "[ . 1 . 2]" 2
194 1 57 ASP HB3 1 59 LEU H . . 4.550 3.156 2.834 3.381 . 0 0 "[ . 1 . 2]" 2
195 1 57 ASP H 1 57 ASP HB3 . . 3.350 2.939 2.607 3.473 0.123 4 0 "[ . 1 . 2]" 2
196 1 25 PHE HB3 1 26 THR H . . 4.140 2.856 2.695 2.970 . 0 0 "[ . 1 . 2]" 2
197 1 81 ARG HA 1 81 ARG QD . . 4.070 3.922 2.272 4.145 0.075 15 0 "[ . 1 . 2]" 2
198 1 65 ARG QD 1 75 PRO HB3 . . 4.910 2.705 2.181 3.036 . 0 0 "[ . 1 . 2]" 2
199 1 78 ASP HA 1 81 ARG QD . . 4.150 2.982 2.179 4.167 0.017 5 0 "[ . 1 . 2]" 2
200 1 63 LEU MD1 1 65 ARG QD . . 4.800 3.859 3.265 4.232 . 0 0 "[ . 1 . 2]" 2
201 1 63 LEU HB2 1 68 PHE QD . . 5.050 5.050 4.970 5.084 0.034 9 0 "[ . 1 . 2]" 2
202 1 60 GLY QA 1 63 LEU HB2 . . 4.500 2.441 2.272 2.741 . 0 0 "[ . 1 . 2]" 2
203 1 60 GLY QA 1 63 LEU HB3 . . 4.500 3.723 3.401 4.022 . 0 0 "[ . 1 . 2]" 2
204 1 45 ASP HB3 1 46 GLN H . . 4.750 3.823 3.491 4.099 . 0 0 "[ . 1 . 2]" 2
205 1 37 TYR HA 1 41 LYS QE . . 4.490 4.530 4.505 4.541 0.051 13 0 "[ . 1 . 2]" 2
206 1 17 ALA MB 1 41 LYS QE . . 3.620 3.082 2.783 3.441 . 0 0 "[ . 1 . 2]" 2
207 1 83 ASN HB3 1 84 LEU H . . 3.670 2.961 2.452 3.553 . 0 0 "[ . 1 . 2]" 2
208 1 14 ILE MD 1 62 LEU HB2 . . 4.010 2.843 2.312 3.579 . 0 0 "[ . 1 . 2]" 2
209 1 14 ILE MD 1 62 LEU HB3 . . 4.010 3.012 2.554 3.566 . 0 0 "[ . 1 . 2]" 2
210 1 12 LEU HB3 1 13 LYS H . . 4.040 2.755 2.661 2.895 . 0 0 "[ . 1 . 2]" 2
211 1 72 ASP H 1 72 ASP HB2 . . 3.990 3.244 2.764 3.416 . 0 0 "[ . 1 . 2]" 2
212 1 80 LEU HB2 1 81 ARG H . . 4.410 2.671 2.444 2.827 . 0 0 "[ . 1 . 2]" 2
213 1 80 LEU H 1 80 LEU HB2 . . 3.860 2.448 2.333 2.604 . 0 0 "[ . 1 . 2]" 2
214 1 80 LEU HB3 1 81 ARG H . . 4.410 3.643 3.416 3.762 . 0 0 "[ . 1 . 2]" 2
215 1 11 LEU HB3 1 12 LEU H . . 4.450 3.005 2.445 3.648 . 0 0 "[ . 1 . 2]" 2
216 1 2 ILE MG 1 3 ASN HB2 . . 4.960 4.320 4.081 4.422 . 0 0 "[ . 1 . 2]" 2
217 1 8 LYS QG 1 9 LEU QB . . 5.040 3.746 2.963 5.070 0.030 13 0 "[ . 1 . 2]" 2
218 1 3 ASN HB3 1 4 GLN H . . 4.470 4.391 4.320 4.470 . 0 0 "[ . 1 . 2]" 2
219 1 2 ILE MG 1 3 ASN HB3 . . 4.960 5.032 4.981 5.048 0.088 5 0 "[ . 1 . 2]" 2
220 1 2 ILE HB 1 3 ASN HA . . 5.070 4.991 4.664 5.156 0.086 4 0 "[ . 1 . 2]" 2
221 1 1 GLN HA 1 2 ILE HB . . 4.350 4.302 4.082 4.418 0.068 9 0 "[ . 1 . 2]" 2
222 1 15 LEU H 1 15 LEU HB3 . . 3.880 3.505 3.440 3.571 . 0 0 "[ . 1 . 2]" 2
223 1 15 LEU HB3 1 20 ALA MB . . 3.860 2.256 2.133 2.446 . 0 0 "[ . 1 . 2]" 2
224 1 37 TYR HB2 1 38 ILE H . . 4.190 3.796 3.756 3.837 . 0 0 "[ . 1 . 2]" 2
225 1 53 TYR H 1 53 TYR HB2 . . 3.750 2.571 2.477 2.652 . 0 0 "[ . 1 . 2]" 2
226 1 37 TYR HB3 1 38 ILE H . . 4.190 2.412 2.356 2.484 . 0 0 "[ . 1 . 2]" 2
227 1 53 TYR H 1 53 TYR HB3 . . 3.750 3.708 3.662 3.750 0.000 4 0 "[ . 1 . 2]" 2
228 1 29 GLU H 1 29 GLU HG3 . . 3.800 2.935 2.491 3.812 0.012 11 0 "[ . 1 . 2]" 2
229 1 38 ILE HB 1 39 MET H . . 3.750 2.606 2.555 2.695 . 0 0 "[ . 1 . 2]" 2
230 1 14 ILE HB 1 15 LEU H . . 3.430 2.493 2.370 2.620 . 0 0 "[ . 1 . 2]" 2
231 1 11 LEU HA 1 14 ILE HB . . 4.120 3.538 2.869 4.132 0.012 13 0 "[ . 1 . 2]" 2
232 1 77 TYR HB2 1 78 ASP H . . 3.980 2.876 2.509 3.119 . 0 0 "[ . 1 . 2]" 2
233 1 77 TYR HB3 1 78 ASP H . . 3.980 3.699 3.506 3.914 . 0 0 "[ . 1 . 2]" 2
234 1 23 GLU HA 1 23 GLU HG2 . . 3.670 2.580 2.464 3.695 0.025 7 0 "[ . 1 . 2]" 2
235 1 48 GLU HG3 1 50 HIS HE1 . . 4.630 4.239 3.212 4.658 0.028 9 0 "[ . 1 . 2]" 2
236 1 58 LEU QD 1 61 GLU HG2 . . 4.590 2.607 2.186 3.940 . 0 0 "[ . 1 . 2]" 2
237 1 58 LEU QD 1 61 GLU HG3 . . 4.590 3.893 3.526 4.977 0.387 15 0 "[ . 1 . 2]" 2
238 1 61 GLU HA 1 61 GLU HG3 . . 3.930 3.333 3.254 3.398 . 0 0 "[ . 1 . 2]" 2
239 1 4 GLN QB 1 24 MET QB . . 3.520 3.315 3.005 3.545 0.025 8 0 "[ . 1 . 2]" 2
240 1 24 MET H 1 24 MET QB . . 3.120 2.515 2.325 3.122 0.002 16 0 "[ . 1 . 2]" 2
241 1 23 GLU H 1 24 MET QB . . 4.540 3.827 3.531 4.548 0.008 10 0 "[ . 1 . 2]" 2
242 1 46 GLN QG 1 47 GLN H . . 3.870 3.501 1.832 4.008 0.138 13 0 "[ . 1 . 2]" 2
243 1 4 GLN HG2 1 5 VAL H . . 4.500 3.886 3.119 4.588 0.088 2 0 "[ . 1 . 2]" 2
244 1 4 GLN HG2 1 26 THR MG . . 4.110 2.717 1.976 3.677 . 0 0 "[ . 1 . 2]" 2
245 1 42 GLN HA 1 42 GLN QG . . 3.430 3.357 3.338 3.377 . 0 0 "[ . 1 . 2]" 2
246 1 42 GLN QG 1 43 LEU HA . . 4.510 4.566 4.541 4.581 0.071 16 0 "[ . 1 . 2]" 2
247 1 66 GLN QG 1 67 SER H . . 4.410 3.056 2.708 4.455 0.045 9 0 "[ . 1 . 2]" 2
248 1 46 GLN QG 1 47 GLN HE21 . . 5.050 4.226 2.260 5.060 0.010 17 0 "[ . 1 . 2]" 2
249 1 46 GLN H 1 46 GLN QG . . 3.350 2.155 1.775 2.614 . 0 0 "[ . 1 . 2]" 2
250 1 46 GLN HA 1 46 GLN QG . . 3.130 3.009 2.773 3.391 0.261 14 0 "[ . 1 . 2]" 2
251 1 46 GLN QG 1 47 GLN HE22 . . 5.050 4.186 3.426 5.088 0.038 10 0 "[ . 1 . 2]" 2
252 1 47 GLN H 1 47 GLN QG . . 3.740 3.099 2.290 3.750 0.010 13 0 "[ . 1 . 2]" 2
253 1 36 GLN QG 1 40 VAL H . . 5.130 4.571 4.448 4.750 . 0 0 "[ . 1 . 2]" 2
254 1 28 LYS HB3 1 29 GLU H . . 4.240 3.884 2.491 4.081 . 0 0 "[ . 1 . 2]" 2
255 1 6 ARG HB3 1 24 MET HA . . 4.870 4.059 2.913 4.898 0.028 16 0 "[ . 1 . 2]" 2
256 1 31 MET HB2 1 80 LEU QD . . 4.940 3.775 2.900 4.294 . 0 0 "[ . 1 . 2]" 2
257 1 31 MET H 1 31 MET HB3 . . 3.890 2.416 2.336 2.480 . 0 0 "[ . 1 . 2]" 2
258 1 31 MET HB3 1 80 LEU QD . . 4.940 2.785 2.276 3.145 . 0 0 "[ . 1 . 2]" 2
259 1 23 GLU HB2 1 24 MET H . . 4.830 3.545 3.135 4.488 . 0 0 "[ . 1 . 2]" 2
260 1 2 ILE MG 1 4 GLN QB . . 4.410 2.059 1.889 2.215 . 0 0 "[ . 1 . 2]" 2
261 1 28 LYS HB2 1 29 GLU H . . 4.240 4.004 2.390 4.305 0.065 7 0 "[ . 1 . 2]" 2
262 1 23 GLU HB3 1 24 MET H . . 4.830 4.207 3.920 4.520 . 0 0 "[ . 1 . 2]" 2
263 1 28 LYS H 1 28 LYS HB3 . . 3.350 2.311 2.128 3.457 0.107 15 0 "[ . 1 . 2]" 2
264 1 13 LYS H 1 13 LYS HB3 . . 3.430 2.997 2.924 3.077 . 0 0 "[ . 1 . 2]" 2
265 1 73 PRO QB 1 77 TYR QD . . 4.480 2.981 2.399 3.798 . 0 0 "[ . 1 . 2]" 2
266 1 21 GLN H 1 21 GLN HB2 . . 3.840 2.514 2.423 2.600 . 0 0 "[ . 1 . 2]" 2
267 1 38 ILE HA 1 39 MET QB . . 5.210 5.186 5.166 5.218 0.008 3 0 "[ . 1 . 2]" 2
268 1 39 MET H 1 39 MET QB . . 3.760 2.161 2.132 2.195 . 0 0 "[ . 1 . 2]" 2
269 1 38 ILE MG 1 39 MET QB . . 4.620 4.204 4.072 4.429 . 0 0 "[ . 1 . 2]" 2
270 1 10 PRO HB2 1 58 LEU QD . . 4.670 4.049 2.535 5.189 0.519 3 1 "[ + . 1 . 2]" 2
271 1 78 ASP H 1 79 MET QG . . 4.770 4.739 4.454 4.835 0.065 12 0 "[ . 1 . 2]" 2
272 1 65 ARG QD 1 75 PRO HB2 . . 4.910 2.325 2.110 3.434 . 0 0 "[ . 1 . 2]" 2
273 1 40 VAL HB 1 41 LYS H . . 3.890 3.778 2.393 3.937 0.047 5 0 "[ . 1 . 2]" 2
274 1 27 VAL HB 1 86 THR MG . . 4.670 3.407 2.071 4.675 0.005 17 0 "[ . 1 . 2]" 2
275 1 26 THR HA 1 27 VAL HB . . 4.840 4.679 4.496 4.856 0.016 10 0 "[ . 1 . 2]" 2
276 1 10 PRO HB3 1 58 LEU QD . . 4.670 3.773 2.484 5.218 0.548 3 1 "[ + . 1 . 2]" 2
277 1 39 MET QG 1 40 VAL H . . 4.560 4.005 3.785 4.326 . 0 0 "[ . 1 . 2]" 2
278 1 41 LYS HB2 1 42 GLN H . . 4.470 3.346 3.215 3.508 . 0 0 "[ . 1 . 2]" 2
279 1 41 LYS H 1 41 LYS HB3 . . 3.720 3.610 3.509 3.642 . 0 0 "[ . 1 . 2]" 2
280 1 32 HIS HB3 1 33 TYR H . . 3.950 2.710 2.643 2.755 . 0 0 "[ . 1 . 2]" 2
281 1 81 ARG QB 1 82 LYS QD . . 5.470 4.250 3.374 4.956 . 0 0 "[ . 1 . 2]" 2
282 1 80 LEU H 1 81 ARG QB . . 4.310 4.372 4.356 4.409 0.099 8 0 "[ . 1 . 2]" 2
283 1 54 CYS H 1 66 GLN QB . . 3.990 3.938 3.665 4.013 0.023 6 0 "[ . 1 . 2]" 2
284 1 54 CYS HB2 1 60 GLY H . . 4.640 3.950 3.680 4.326 . 0 0 "[ . 1 . 2]" 2
285 1 54 CYS HB3 1 60 GLY H . . 4.640 2.566 2.430 2.814 . 0 0 "[ . 1 . 2]" 2
286 1 58 LEU QD 1 61 GLU QB . . 4.040 3.498 3.169 3.809 . 0 0 "[ . 1 . 2]" 2
287 1 8 LYS QD 1 11 LEU H . . 4.890 4.810 4.576 4.933 0.043 13 0 "[ . 1 . 2]" 2
288 1 8 LYS HA 1 8 LYS QD . . 4.590 3.683 2.367 4.152 . 0 0 "[ . 1 . 2]" 2
289 1 13 LYS H 1 13 LYS QD . . 3.480 3.538 3.522 3.564 0.084 6 0 "[ . 1 . 2]" 2
290 1 49 GLN QB 1 50 HIS HA . . 4.090 4.113 4.098 4.136 0.046 9 0 "[ . 1 . 2]" 2
291 1 41 LYS H 1 41 LYS HD2 . . 4.630 4.609 4.560 4.719 0.089 5 0 "[ . 1 . 2]" 2
292 1 41 LYS H 1 41 LYS HD3 . . 4.630 3.757 3.655 4.436 . 0 0 "[ . 1 . 2]" 2
293 1 41 LYS HA 1 41 LYS HD3 . . 4.180 2.407 2.295 2.915 . 0 0 "[ . 1 . 2]" 2
294 1 82 LYS QD 1 83 ASN HA . . 4.530 4.414 3.445 4.599 0.069 17 0 "[ . 1 . 2]" 2
295 1 2 ILE HA 1 2 ILE HG12 . . 3.950 2.609 2.423 2.798 . 0 0 "[ . 1 . 2]" 2
296 1 8 LYS QG 1 83 ASN HA . . 4.850 4.740 3.985 4.917 0.067 4 0 "[ . 1 . 2]" 2
297 1 12 LEU H 1 12 LEU HG . . 4.830 4.500 4.440 4.549 . 0 0 "[ . 1 . 2]" 2
298 1 9 LEU H 1 9 LEU HG . . 4.410 3.571 2.151 4.461 0.051 14 0 "[ . 1 . 2]" 2
299 1 63 LEU HG 1 65 ARG QD . . 5.220 5.121 4.616 5.280 0.060 5 0 "[ . 1 . 2]" 2
300 1 80 LEU H 1 82 LYS QD . . 4.180 4.174 4.082 4.272 0.092 10 0 "[ . 1 . 2]" 2
301 1 63 LEU MD1 1 68 PHE HZ . . 5.500 3.440 3.135 3.666 . 0 0 "[ . 1 . 2]" 2
302 1 63 LEU H 1 63 LEU MD1 . . 4.580 3.495 3.288 3.889 . 0 0 "[ . 1 . 2]" 2
303 1 63 LEU MD1 1 68 PHE QD . . 3.970 2.383 2.254 2.640 . 0 0 "[ . 1 . 2]" 2
304 1 63 LEU MD1 1 76 LEU HA . . 4.810 4.322 3.637 4.829 0.019 4 0 "[ . 1 . 2]" 2
305 1 12 LEU HA 1 15 LEU HG . . 4.770 4.820 4.806 4.839 0.069 11 0 "[ . 1 . 2]" 2
306 1 15 LEU H 1 15 LEU HG . . 3.800 3.846 3.719 3.908 0.108 8 0 "[ . 1 . 2]" 2
307 1 43 LEU H 1 43 LEU HG . . 5.080 3.045 2.768 4.668 . 0 0 "[ . 1 . 2]" 2
308 1 65 ARG H 1 65 ARG HG3 . . 5.010 3.825 3.296 4.713 . 0 0 "[ . 1 . 2]" 2
309 1 43 LEU H 1 43 LEU MD1 . . 4.940 4.033 3.289 4.162 . 0 0 "[ . 1 . 2]" 2
310 1 15 LEU MD2 1 30 VAL HA . . 4.400 2.902 2.666 3.342 . 0 0 "[ . 1 . 2]" 2
311 1 82 LYS H 1 82 LYS HG3 . . 4.310 2.224 2.063 2.328 . 0 0 "[ . 1 . 2]" 2
312 1 65 ARG HG3 1 67 SER H . . 4.650 3.438 2.466 4.219 . 0 0 "[ . 1 . 2]" 2
313 1 84 LEU H 1 84 LEU MD1 . . 4.640 4.360 3.914 4.459 . 0 0 "[ . 1 . 2]" 2
314 1 84 LEU HA 1 84 LEU MD1 . . 4.510 2.795 2.154 4.083 . 0 0 "[ . 1 . 2]" 2
315 1 87 LEU HA 1 87 LEU MD1 . . 3.630 2.697 2.091 3.701 0.071 7 0 "[ . 1 . 2]" 2
316 1 13 LYS QG 1 14 ILE HA . . 4.670 4.682 4.670 4.696 0.026 13 0 "[ . 1 . 2]" 2
317 1 12 LEU MD2 1 13 LYS H . . 4.810 4.536 4.427 4.679 . 0 0 "[ . 1 . 2]" 2
318 1 13 LYS H 1 13 LYS QG . . 4.270 4.001 3.978 4.021 . 0 0 "[ . 1 . 2]" 2
319 1 63 LEU MD2 1 65 ARG H . . 5.500 4.424 4.035 4.854 . 0 0 "[ . 1 . 2]" 2
320 1 63 LEU H 1 63 LEU MD2 . . 4.580 4.088 3.913 4.362 . 0 0 "[ . 1 . 2]" 2
321 1 63 LEU MD2 1 76 LEU HA . . 4.810 2.521 2.247 2.914 . 0 0 "[ . 1 . 2]" 2
322 1 37 TYR HA 1 41 LYS QG . . 3.930 3.426 3.370 3.520 . 0 0 "[ . 1 . 2]" 2
323 1 58 LEU HA 1 58 LEU QD . . 2.820 2.164 2.013 2.458 . 0 0 "[ . 1 . 2]" 2
324 1 14 ILE MG 1 58 LEU QD . . 5.330 4.368 4.083 4.790 . 0 0 "[ . 1 . 2]" 2
325 1 27 VAL H 1 27 VAL MG1 . . 3.800 3.063 2.282 3.779 . 0 0 "[ . 1 . 2]" 2
326 1 27 VAL MG1 1 28 LYS H . . 4.470 2.727 2.106 3.402 . 0 0 "[ . 1 . 2]" 2
327 1 76 LEU MD1 1 79 MET ME . . 4.400 3.225 2.033 3.996 . 0 0 "[ . 1 . 2]" 2
328 1 27 VAL HA 1 30 VAL MG2 . . 3.720 1.906 1.884 1.930 . 0 0 "[ . 1 . 2]" 2
329 1 77 TYR HA 1 80 LEU QD . . 4.470 2.670 2.145 2.932 . 0 0 "[ . 1 . 2]" 2
330 1 84 LEU HA 1 84 LEU MD2 . . 4.510 3.656 2.223 3.953 . 0 0 "[ . 1 . 2]" 2
331 1 80 LEU H 1 80 LEU QD . . 4.180 3.278 3.173 3.360 . 0 0 "[ . 1 . 2]" 2
332 1 7 PRO HA 1 84 LEU MD2 . . 4.520 3.508 2.214 4.289 . 0 0 "[ . 1 . 2]" 2
333 1 12 LEU HA 1 15 LEU MD1 . . 4.940 3.359 2.395 4.038 . 0 0 "[ . 1 . 2]" 2
334 1 70 VAL MG1 1 71 LYS H . . 4.660 3.665 3.320 4.113 . 0 0 "[ . 1 . 2]" 2
335 1 30 VAL H 1 30 VAL MG2 . . 3.220 2.240 2.176 2.388 . 0 0 "[ . 1 . 2]" 2
336 1 14 ILE MG 1 59 LEU MD2 . . 5.060 2.809 2.462 3.661 . 0 0 "[ . 1 . 2]" 2
337 1 15 LEU MD1 1 30 VAL HA . . 4.400 3.849 3.361 4.184 . 0 0 "[ . 1 . 2]" 2
338 1 4 GLN HE21 1 26 THR MG . . 4.460 3.639 2.422 4.474 0.014 19 0 "[ . 1 . 2]" 2
339 1 26 THR MG 1 28 LYS H . . 4.250 4.291 4.218 4.328 0.078 4 0 "[ . 1 . 2]" 2
340 1 4 GLN HE22 1 26 THR MG . . 4.460 3.730 2.774 4.473 0.013 4 0 "[ . 1 . 2]" 2
341 1 4 GLN HA 1 26 THR MG . . 4.340 4.444 4.373 4.486 0.146 14 0 "[ . 1 . 2]" 2
342 1 4 GLN HG3 1 26 THR MG . . 4.110 2.596 1.895 3.423 . 0 0 "[ . 1 . 2]" 2
343 1 86 THR MG 1 87 LEU H . . 3.960 2.956 2.323 3.679 . 0 0 "[ . 1 . 2]" 2
344 1 40 VAL MG1 1 42 GLN H . . 5.030 4.467 4.388 4.816 . 0 0 "[ . 1 . 2]" 2
345 1 40 VAL H 1 40 VAL MG1 . . 4.210 2.425 2.243 3.788 . 0 0 "[ . 1 . 2]" 2
346 1 18 ALA HA 1 40 VAL MG1 . . 4.830 3.002 2.708 4.407 . 0 0 "[ . 1 . 2]" 2
347 1 27 VAL H 1 27 VAL MG2 . . 3.800 2.941 2.098 3.740 . 0 0 "[ . 1 . 2]" 2
348 1 5 VAL MG2 1 6 ARG H . . 3.990 3.547 2.021 3.943 . 0 0 "[ . 1 . 2]" 2
349 1 84 LEU HG 1 86 THR MG . . 4.780 4.088 2.649 4.795 0.015 13 0 "[ . 1 . 2]" 2
350 1 30 VAL MG1 1 31 MET H . . 4.010 3.963 3.929 3.991 . 0 0 "[ . 1 . 2]" 2
351 1 27 VAL HA 1 27 VAL MG2 . . 3.240 2.283 2.248 2.315 . 0 0 "[ . 1 . 2]" 2
352 1 27 VAL MG2 1 28 LYS H . . 4.470 3.838 3.627 3.968 . 0 0 "[ . 1 . 2]" 2
353 1 43 LEU H 1 43 LEU MD2 . . 4.940 3.599 2.271 4.142 . 0 0 "[ . 1 . 2]" 2
354 1 14 ILE MG 1 18 ALA MB . . 4.760 3.643 3.389 3.850 . 0 0 "[ . 1 . 2]" 2
355 1 18 ALA MB 1 37 TYR HA . . 3.210 2.514 2.410 2.783 . 0 0 "[ . 1 . 2]" 2
356 1 40 VAL HA 1 40 VAL MG2 . . 3.300 2.285 2.264 2.297 . 0 0 "[ . 1 . 2]" 2
357 1 18 ALA HA 1 40 VAL MG2 . . 4.830 4.578 4.304 4.809 . 0 0 "[ . 1 . 2]" 2
358 1 85 VAL HA 1 85 VAL MG1 . . 3.210 2.493 2.362 3.238 0.028 20 0 "[ . 1 . 2]" 2
359 1 27 VAL HA 1 30 VAL MG1 . . 3.720 3.739 3.687 3.759 0.039 14 0 "[ . 1 . 2]" 2
360 1 17 ALA H 1 18 ALA MB . . 4.910 4.362 4.331 4.419 . 0 0 "[ . 1 . 2]" 2
361 1 18 ALA MB 1 40 VAL MG1 . . 5.120 3.519 3.310 5.132 0.012 2 0 "[ . 1 . 2]" 2
362 1 18 ALA MB 1 41 LYS QG . . 4.980 4.794 4.715 4.982 0.002 2 0 "[ . 1 . 2]" 2
363 1 18 ALA MB 1 40 VAL MG2 . . 5.120 5.081 4.456 5.156 0.036 19 0 "[ . 1 . 2]" 2
364 1 88 ALA MB 1 89 THR H . . 4.180 2.669 2.064 2.970 . 0 0 "[ . 1 . 2]" 2
365 1 86 THR H 1 88 ALA MB . . 4.910 4.851 4.193 4.975 0.065 8 0 "[ . 1 . 2]" 2
366 1 38 ILE MG 1 39 MET HA . . 4.720 3.536 3.453 3.657 . 0 0 "[ . 1 . 2]" 2
367 1 16 HIS HA 1 20 ALA MB . . 3.410 3.131 3.004 3.228 . 0 0 "[ . 1 . 2]" 2
368 1 15 LEU HB2 1 20 ALA MB . . 3.860 3.544 3.384 3.756 . 0 0 "[ . 1 . 2]" 2
369 1 5 VAL MG1 1 6 ARG H . . 3.990 2.735 2.078 3.687 . 0 0 "[ . 1 . 2]" 2
370 1 20 ALA MB 1 21 GLN H . . 3.490 2.435 2.324 2.566 . 0 0 "[ . 1 . 2]" 2
371 1 20 ALA MB 1 25 PHE QE . . 3.520 2.193 2.132 2.269 . 0 0 "[ . 1 . 2]" 2
372 1 18 ALA MB 1 20 ALA MB . . 4.900 3.979 3.700 4.181 . 0 0 "[ . 1 . 2]" 2
373 1 15 LEU HG 1 20 ALA MB . . 5.370 3.758 3.353 3.992 . 0 0 "[ . 1 . 2]" 2
374 1 17 ALA MB 1 18 ALA H . . 3.670 2.884 2.776 3.044 . 0 0 "[ . 1 . 2]" 2
375 1 17 ALA MB 1 18 ALA HA . . 4.230 4.162 4.092 4.231 0.001 19 0 "[ . 1 . 2]" 2
376 1 14 ILE MG 1 17 ALA MB . . 5.500 3.843 3.613 4.096 . 0 0 "[ . 1 . 2]" 2
377 1 17 ALA MB 1 41 LYS QZ . . 3.510 3.010 2.782 3.331 . 0 0 "[ . 1 . 2]" 2
378 1 17 ALA MB 1 41 LYS QG . . 4.580 4.495 4.330 4.597 0.017 2 0 "[ . 1 . 2]" 2
379 1 2 ILE MG 1 26 THR H . . 4.080 3.852 3.442 4.106 0.026 12 0 "[ . 1 . 2]" 2
380 1 2 ILE MG 1 25 PHE HA . . 4.410 2.412 2.206 2.627 . 0 0 "[ . 1 . 2]" 2
381 1 31 MET H 1 31 MET ME . . 5.070 4.861 4.653 4.969 . 0 0 "[ . 1 . 2]" 2
382 1 79 MET H 1 79 MET ME . . 4.470 4.294 4.118 4.480 0.010 12 0 "[ . 1 . 2]" 2
383 1 79 MET ME 1 80 LEU QD . . 2.610 2.307 2.106 2.619 0.009 1 0 "[ . 1 . 2]" 2
384 1 79 MET ME 1 80 LEU H . . 4.050 3.784 3.453 4.050 0.000 12 0 "[ . 1 . 2]" 2
385 1 77 TYR HA 1 79 MET ME . . 4.470 4.499 4.473 4.533 0.063 20 0 "[ . 1 . 2]" 2
386 1 76 LEU MD2 1 79 MET ME . . 4.400 3.102 2.110 4.168 . 0 0 "[ . 1 . 2]" 2
387 1 39 MET H 1 39 MET ME . . 5.500 5.137 4.813 5.230 . 0 0 "[ . 1 . 2]" 2
388 1 2 ILE MD 1 24 MET ME . . 4.630 4.439 3.593 4.637 0.007 6 0 "[ . 1 . 2]" 2
389 1 23 GLU H 1 24 MET ME . . 4.890 3.605 2.799 4.369 . 0 0 "[ . 1 . 2]" 2
390 1 39 MET ME 1 44 TYR QE . . 3.810 2.951 2.331 3.381 . 0 0 "[ . 1 . 2]" 2
391 1 39 MET QB 1 39 MET ME . . 3.940 3.600 3.482 3.649 . 0 0 "[ . 1 . 2]" 2
392 1 38 ILE HA 1 38 ILE MD . . 4.730 3.917 3.892 3.947 . 0 0 "[ . 1 . 2]" 2
393 1 14 ILE MG 1 59 LEU MD1 . . 5.060 2.164 2.060 2.335 . 0 0 "[ . 1 . 2]" 2
394 1 38 ILE MD 1 39 MET QB . . 5.110 5.141 5.116 5.157 0.047 14 0 "[ . 1 . 2]" 2
395 1 2 ILE MD 1 24 MET QB . . 4.900 3.681 3.444 4.253 . 0 0 "[ . 1 . 2]" 2
396 1 2 ILE MD 1 24 MET H . . 5.050 3.904 3.583 4.264 . 0 0 "[ . 1 . 2]" 2
397 1 2 ILE MD 1 24 MET HA . . 5.360 5.244 5.146 5.371 0.011 12 0 "[ . 1 . 2]" 2
398 1 2 ILE HA 1 2 ILE MD . . 4.270 3.859 3.781 3.951 . 0 0 "[ . 1 . 2]" 2
399 1 14 ILE MD 1 59 LEU H . . 4.150 3.176 2.434 4.140 . 0 0 "[ . 1 . 2]" 2
400 1 13 LYS H 1 14 ILE MD . . 4.970 4.746 3.422 5.005 0.035 17 0 "[ . 1 . 2]" 2
401 1 14 ILE MD 1 58 LEU H . . 5.220 4.838 4.160 5.267 0.047 5 0 "[ . 1 . 2]" 2
402 1 14 ILE H 1 14 ILE MD . . 3.820 2.858 1.934 3.241 . 0 0 "[ . 1 . 2]" 2
403 1 14 ILE MD 1 58 LEU QD . . 3.800 2.394 1.959 3.317 . 0 0 "[ . 1 . 2]" 2
404 1 2 ILE MD 1 25 PHE H . . 5.090 5.035 4.940 5.100 0.010 15 0 "[ . 1 . 2]" 2
405 1 2 ILE H 1 2 ILE MD . . 4.670 3.770 3.477 4.153 . 0 0 "[ . 1 . 2]" 2
406 1 2 ILE HB 1 2 ILE MD . . 3.680 2.355 2.318 2.403 . 0 0 "[ . 1 . 2]" 2
407 1 58 LEU H 1 59 LEU H . . 4.700 2.821 2.667 2.939 . 0 0 "[ . 1 . 2]" 2
408 1 58 LEU H 1 58 LEU QD . . 4.860 3.524 2.983 3.797 . 0 0 "[ . 1 . 2]" 2
409 1 87 LEU H 1 87 LEU MD2 . . 4.670 3.957 2.359 4.379 . 0 0 "[ . 1 . 2]" 2
410 1 44 TYR H 1 53 TYR H . . 5.250 4.485 4.225 4.729 . 0 0 "[ . 1 . 2]" 2
411 1 88 ALA H 1 89 THR HB . . 5.500 5.457 4.825 5.536 0.036 10 0 "[ . 1 . 2]" 2
412 1 88 ALA H 1 88 ALA MB . . 3.520 2.409 2.150 2.824 . 0 0 "[ . 1 . 2]" 2
413 1 17 ALA H 1 20 ALA MB . . 5.500 5.497 5.411 5.510 0.010 17 0 "[ . 1 . 2]" 2
414 1 13 LYS QD 1 17 ALA H . . 5.090 5.037 4.725 5.111 0.021 3 0 "[ . 1 . 2]" 2
415 1 16 HIS H 1 17 ALA H . . 3.180 2.714 2.669 2.745 . 0 0 "[ . 1 . 2]" 2
416 1 17 ALA H 1 18 ALA H . . 3.190 2.692 2.669 2.732 . 0 0 "[ . 1 . 2]" 2
417 1 14 ILE H 1 17 ALA H . . 4.660 4.650 4.568 4.712 0.052 8 0 "[ . 1 . 2]" 2
418 1 13 LYS HA 1 17 ALA H . . 4.420 3.718 3.552 3.832 . 0 0 "[ . 1 . 2]" 2
419 1 17 ALA H 1 17 ALA MB . . 2.820 2.173 2.149 2.200 . 0 0 "[ . 1 . 2]" 2
420 1 16 HIS HD2 1 20 ALA H . . 4.840 3.236 3.127 3.426 . 0 0 "[ . 1 . 2]" 2
421 1 20 ALA H 1 21 GLN H . . 4.750 4.650 4.613 4.683 . 0 0 "[ . 1 . 2]" 2
422 1 18 ALA MB 1 20 ALA H . . 4.330 4.026 3.578 4.334 0.004 9 0 "[ . 1 . 2]" 2
423 1 20 ALA H 1 20 ALA MB . . 2.930 2.256 2.224 2.308 . 0 0 "[ . 1 . 2]" 2
424 1 16 HIS H 1 20 ALA H . . 4.760 4.653 4.447 4.776 0.016 3 0 "[ . 1 . 2]" 2
425 1 84 LEU HA 1 85 VAL H . . 3.460 2.112 2.045 2.220 . 0 0 "[ . 1 . 2]" 2
426 1 85 VAL H 1 85 VAL HB . . 3.070 2.668 2.487 2.904 . 0 0 "[ . 1 . 2]" 2
427 1 84 LEU HG 1 85 VAL H . . 4.760 3.912 3.338 4.803 0.043 16 0 "[ . 1 . 2]" 2
428 1 85 VAL H 1 85 VAL MG2 . . 4.110 2.804 2.170 3.880 . 0 0 "[ . 1 . 2]" 2
429 1 45 ASP HB3 1 48 GLU H . . 3.990 2.182 1.989 2.433 . 0 0 "[ . 1 . 2]" 2
430 1 45 ASP H 1 52 VAL HA . . 4.180 3.808 3.651 4.006 . 0 0 "[ . 1 . 2]" 2
431 1 45 ASP H 1 45 ASP HB2 . . 3.530 2.430 2.334 2.561 . 0 0 "[ . 1 . 2]" 2
432 1 45 ASP H 1 51 MET H . . 5.470 3.845 3.640 3.969 . 0 0 "[ . 1 . 2]" 2
433 1 48 GLU H 1 48 GLU QB . . 3.310 2.719 2.528 2.852 . 0 0 "[ . 1 . 2]" 2
434 1 26 THR MG 1 27 VAL H . . 4.750 3.545 3.132 3.726 . 0 0 "[ . 1 . 2]" 2
435 1 27 VAL H 1 86 THR HB . . 5.190 4.175 3.454 4.764 . 0 0 "[ . 1 . 2]" 2
436 1 12 LEU H 1 14 ILE H . . 4.820 4.522 4.392 4.699 . 0 0 "[ . 1 . 2]" 2
437 1 58 LEU QD 1 61 GLU H . . 5.350 4.427 4.030 4.798 . 0 0 "[ . 1 . 2]" 2
438 1 5 VAL H 1 6 ARG H . . 5.360 4.600 4.571 4.624 . 0 0 "[ . 1 . 2]" 2
439 1 8 LYS HA 1 9 LEU H . . 3.270 2.332 2.265 2.393 . 0 0 "[ . 1 . 2]" 2
440 1 8 LYS HB2 1 9 LEU H . . 4.070 4.073 3.903 4.127 0.057 9 0 "[ . 1 . 2]" 2
441 1 8 LYS HB3 1 9 LEU H . . 4.070 3.294 2.622 3.578 . 0 0 "[ . 1 . 2]" 2
442 1 80 LEU H 1 80 LEU HG . . 3.350 2.646 2.531 2.759 . 0 0 "[ . 1 . 2]" 2
443 1 8 LYS H 1 8 LYS HB3 . . 3.550 2.968 2.739 3.593 0.043 13 0 "[ . 1 . 2]" 2
444 1 12 LEU H 1 12 LEU HB3 . . 3.220 2.509 2.395 2.594 . 0 0 "[ . 1 . 2]" 2
445 1 14 ILE MD 1 61 GLU H . . 5.500 5.114 4.585 5.399 . 0 0 "[ . 1 . 2]" 2
446 1 61 GLU H 1 63 LEU H . . 4.970 4.252 4.086 4.537 . 0 0 "[ . 1 . 2]" 2
447 1 61 GLU H 1 61 GLU QB . . 2.740 2.052 2.033 2.072 . 0 0 "[ . 1 . 2]" 2
448 1 6 ARG H 1 24 MET HA . . 4.950 3.964 3.745 4.259 . 0 0 "[ . 1 . 2]" 2
449 1 37 TYR H 1 40 VAL H . . 5.400 4.785 4.723 4.843 . 0 0 "[ . 1 . 2]" 2
450 1 40 VAL H 1 40 VAL MG2 . . 4.210 3.658 2.252 3.837 . 0 0 "[ . 1 . 2]" 2
451 1 38 ILE HA 1 40 VAL H . . 5.160 4.622 4.376 4.800 . 0 0 "[ . 1 . 2]" 2
452 1 37 TYR H 1 38 ILE H . . 3.560 2.822 2.775 2.908 . 0 0 "[ . 1 . 2]" 2
453 1 37 TYR H 1 37 TYR HB2 . . 3.270 2.516 2.464 2.579 . 0 0 "[ . 1 . 2]" 2
454 1 39 MET QB 1 40 VAL H . . 5.070 2.592 2.436 2.691 . 0 0 "[ . 1 . 2]" 2
455 1 1 GLN HA 1 2 ILE H . . 2.880 2.460 2.213 2.937 0.057 15 0 "[ . 1 . 2]" 2
456 1 2 ILE H 1 2 ILE HG13 . . 4.080 2.762 2.470 2.978 . 0 0 "[ . 1 . 2]" 2
457 1 2 ILE H 1 2 ILE HG12 . . 4.080 3.969 3.468 4.124 0.044 13 0 "[ . 1 . 2]" 2
458 1 2 ILE H 1 2 ILE MG . . 4.160 3.814 3.588 4.105 . 0 0 "[ . 1 . 2]" 2
459 1 10 PRO HA 1 14 ILE H . . 5.500 4.822 4.135 5.442 . 0 0 "[ . 1 . 2]" 2
460 1 14 ILE H 1 15 LEU H . . 3.190 2.728 2.607 2.882 . 0 0 "[ . 1 . 2]" 2
461 1 11 LEU HA 1 14 ILE H . . 3.980 3.561 3.299 3.894 . 0 0 "[ . 1 . 2]" 2
462 1 14 ILE H 1 14 ILE HG12 . . 3.610 3.015 2.046 3.672 0.062 13 0 "[ . 1 . 2]" 2
463 1 14 ILE H 1 58 LEU QD . . 4.520 3.632 3.117 4.628 0.108 10 0 "[ . 1 . 2]" 2
464 1 29 GLU H 1 29 GLU HB2 . . 3.690 2.363 2.308 2.474 . 0 0 "[ . 1 . 2]" 2
465 1 29 GLU H 1 30 VAL MG2 . . 4.720 3.934 3.723 4.147 . 0 0 "[ . 1 . 2]" 2
466 1 26 THR HB 1 29 GLU H . . 3.680 3.570 3.339 3.691 0.011 7 0 "[ . 1 . 2]" 2
467 1 29 GLU H 1 29 GLU HG2 . . 3.800 3.440 2.425 3.826 0.026 7 0 "[ . 1 . 2]" 2
468 1 29 GLU H 1 29 GLU HB3 . . 3.690 3.602 3.574 3.637 . 0 0 "[ . 1 . 2]" 2
469 1 57 ASP H 1 60 GLY H . . 4.740 3.646 3.481 3.910 . 0 0 "[ . 1 . 2]" 2
470 1 57 ASP H 1 58 LEU H . . 4.980 4.623 4.518 4.678 . 0 0 "[ . 1 . 2]" 2
471 1 56 GLY H 1 57 ASP H . . 4.090 2.745 2.675 2.825 . 0 0 "[ . 1 . 2]" 2
472 1 50 HIS H 1 51 MET H . . 3.440 2.677 2.469 2.909 . 0 0 "[ . 1 . 2]" 2
473 1 26 THR H 1 30 VAL H . . 4.510 4.160 4.033 4.252 . 0 0 "[ . 1 . 2]" 2
474 1 29 GLU H 1 30 VAL H . . 3.810 2.642 2.545 2.789 . 0 0 "[ . 1 . 2]" 2
475 1 30 VAL H 1 30 VAL HB . . 3.620 3.658 3.652 3.663 0.043 7 0 "[ . 1 . 2]" 2
476 1 49 GLN H 1 50 HIS H . . 3.680 2.884 2.754 2.974 . 0 0 "[ . 1 . 2]" 2
477 1 48 GLU HA 1 49 GLN H . . 2.740 2.253 2.130 2.322 . 0 0 "[ . 1 . 2]" 2
478 1 57 ASP HA 1 59 LEU H . . 4.920 4.529 4.398 4.687 . 0 0 "[ . 1 . 2]" 2
479 1 14 ILE HA 1 59 LEU H . . 4.880 5.014 4.942 5.095 0.215 6 0 "[ . 1 . 2]" 2
480 1 57 ASP HB2 1 59 LEU H . . 4.550 4.559 3.957 4.641 0.091 12 0 "[ . 1 . 2]" 2
481 1 59 LEU H 1 59 LEU HB3 . . 3.530 2.444 2.420 2.503 . 0 0 "[ . 1 . 2]" 2
482 1 41 LYS QZ 1 59 LEU H . . 5.350 4.692 4.374 4.888 . 0 0 "[ . 1 . 2]" 2
483 1 5 VAL HA 1 25 PHE H . . 5.260 4.562 4.448 4.670 . 0 0 "[ . 1 . 2]" 2
484 1 24 MET QB 1 25 PHE H . . 3.660 3.537 3.353 3.616 . 0 0 "[ . 1 . 2]" 2
485 1 25 PHE H 1 25 PHE QD . . 3.870 2.278 2.180 2.418 . 0 0 "[ . 1 . 2]" 2
486 1 6 ARG HA 1 25 PHE H . . 4.670 3.596 3.394 3.764 . 0 0 "[ . 1 . 2]" 2
487 1 3 ASN HB2 1 4 GLN H . . 4.470 4.413 4.311 4.505 0.035 1 0 "[ . 1 . 2]" 2
488 1 3 ASN HA 1 4 GLN H . . 2.590 2.603 2.500 2.654 0.064 19 0 "[ . 1 . 2]" 2
489 1 73 PRO HG3 1 74 SER H . . 4.560 4.443 4.250 4.588 0.028 6 0 "[ . 1 . 2]" 2
490 1 36 GLN H 1 37 TYR H . . 3.480 2.798 2.755 2.836 . 0 0 "[ . 1 . 2]" 2
491 1 80 LEU HA 1 84 LEU H . . 4.630 3.115 2.979 3.315 . 0 0 "[ . 1 . 2]" 2
492 1 79 MET H 1 80 LEU H . . 3.260 2.720 2.619 2.842 . 0 0 "[ . 1 . 2]" 2
493 1 78 ASP H 1 79 MET H . . 3.460 2.684 2.451 2.900 . 0 0 "[ . 1 . 2]" 2
494 1 58 LEU QD 1 59 LEU H . . 4.090 3.920 3.678 4.127 0.037 3 0 "[ . 1 . 2]" 2
495 1 26 THR HA 1 28 LYS H . . 4.590 4.398 4.262 4.499 . 0 0 "[ . 1 . 2]" 2
496 1 27 VAL H 1 28 LYS H . . 3.360 2.796 2.746 2.904 . 0 0 "[ . 1 . 2]" 2
497 1 28 LYS H 1 29 GLU H . . 3.490 2.707 2.623 2.936 . 0 0 "[ . 1 . 2]" 2
498 1 27 VAL HB 1 28 LYS H . . 3.720 3.181 2.485 3.786 0.066 20 0 "[ . 1 . 2]" 2
499 1 28 LYS H 1 28 LYS HB2 . . 3.350 3.354 2.470 3.473 0.123 13 0 "[ . 1 . 2]" 2
500 1 58 LEU QD 1 62 LEU H . . 5.200 4.008 3.343 5.085 . 0 0 "[ . 1 . 2]" 2
501 1 62 LEU H 1 62 LEU MD1 . . 4.120 4.149 4.114 4.199 0.079 9 0 "[ . 1 . 2]" 2
502 1 18 ALA H 1 20 ALA MB . . 5.500 4.871 4.748 4.971 . 0 0 "[ . 1 . 2]" 2
503 1 84 LEU H 1 84 LEU HB2 . . 3.930 3.221 2.329 3.979 0.049 8 0 "[ . 1 . 2]" 2
504 1 82 LYS QD 1 84 LEU H . . 5.450 4.417 3.730 4.861 . 0 0 "[ . 1 . 2]" 2
505 1 7 PRO HA 1 84 LEU H . . 5.320 5.133 4.845 5.332 0.012 15 0 "[ . 1 . 2]" 2
506 1 84 LEU H 1 84 LEU MD2 . . 4.640 3.695 2.135 4.405 . 0 0 "[ . 1 . 2]" 2
507 1 88 ALA H 1 89 THR H . . 4.660 4.601 4.349 4.660 . 17 0 "[ . 1 . 2]" 2
508 1 16 HIS HA 1 18 ALA H . . 4.250 3.916 3.793 4.023 . 0 0 "[ . 1 . 2]" 2
509 1 18 ALA H 1 37 TYR QD . . 4.230 2.964 2.877 3.031 . 0 0 "[ . 1 . 2]" 2
510 1 15 LEU HA 1 18 ALA H . . 4.250 3.566 3.409 3.677 . 0 0 "[ . 1 . 2]" 2
511 1 16 HIS H 1 18 ALA H . . 4.440 3.951 3.836 4.052 . 0 0 "[ . 1 . 2]" 2
512 1 77 TYR H 1 78 ASP H . . 3.490 2.714 2.593 2.887 . 0 0 "[ . 1 . 2]" 2
513 1 77 TYR H 1 77 TYR HB3 . . 3.540 3.556 3.536 3.586 0.046 10 0 "[ . 1 . 2]" 2
514 1 76 LEU H 1 77 TYR H . . 3.030 2.604 2.469 2.730 . 0 0 "[ . 1 . 2]" 2
515 1 12 LEU HA 1 16 HIS H . . 4.700 3.979 3.823 4.255 . 0 0 "[ . 1 . 2]" 2
516 1 21 GLN H 1 25 PHE QE . . 4.510 3.016 2.941 3.111 . 0 0 "[ . 1 . 2]" 2
517 1 21 GLN H 1 21 GLN HB3 . . 3.840 2.756 2.643 3.641 . 0 0 "[ . 1 . 2]" 2
518 1 77 TYR HA 1 81 ARG H . . 4.710 3.902 3.578 4.152 . 0 0 "[ . 1 . 2]" 2
519 1 32 HIS HB2 1 33 TYR H . . 3.950 3.966 3.954 3.976 0.026 2 0 "[ . 1 . 2]" 2
520 1 53 TYR HB2 1 54 CYS H . . 5.320 4.578 4.489 4.607 . 0 0 "[ . 1 . 2]" 2
521 1 40 VAL H 1 41 LYS H . . 3.360 2.643 2.500 2.747 . 0 0 "[ . 1 . 2]" 2
522 1 40 VAL MG2 1 41 LYS H . . 3.680 3.727 3.708 3.798 0.118 1 0 "[ . 1 . 2]" 2
523 1 15 LEU H 1 17 ALA H . . 4.480 4.180 4.125 4.246 . 0 0 "[ . 1 . 2]" 2
524 1 15 LEU H 1 15 LEU HB2 . . 3.880 2.275 2.161 2.386 . 0 0 "[ . 1 . 2]" 2
525 1 38 ILE H 1 40 VAL H . . 5.500 4.405 4.277 4.520 . 0 0 "[ . 1 . 2]" 2
526 1 32 HIS H 1 33 TYR H . . 3.590 2.643 2.486 2.734 . 0 0 "[ . 1 . 2]" 2
527 1 33 TYR H 1 33 TYR HB3 . . 3.820 3.648 3.628 3.665 . 0 0 "[ . 1 . 2]" 2
528 1 53 TYR HB3 1 54 CYS H . . 5.320 4.009 3.735 4.220 . 0 0 "[ . 1 . 2]" 2
529 1 69 SER H 1 71 LYS H . . 4.740 4.651 4.361 4.755 0.015 11 0 "[ . 1 . 2]" 2
530 1 70 VAL MG2 1 71 LYS H . . 4.660 3.445 2.525 4.176 . 0 0 "[ . 1 . 2]" 2
531 1 39 MET HA 1 41 LYS H . . 5.110 4.822 4.732 4.880 . 0 0 "[ . 1 . 2]" 2
532 1 42 GLN H 1 43 LEU H . . 4.350 3.023 2.816 3.262 . 0 0 "[ . 1 . 2]" 2
533 1 36 GLN HA 1 39 MET H . . 4.630 3.287 3.163 3.393 . 0 0 "[ . 1 . 2]" 2
534 1 39 MET H 1 39 MET QG . . 4.510 3.991 3.897 4.050 . 0 0 "[ . 1 . 2]" 2
535 1 37 TYR H 1 39 MET H . . 5.500 4.156 4.080 4.242 . 0 0 "[ . 1 . 2]" 2
536 1 46 GLN H 1 47 GLN H . . 3.630 2.699 2.424 2.895 . 0 0 "[ . 1 . 2]" 2
537 1 47 GLN H 1 48 GLU H . . 2.910 2.521 2.283 2.753 . 0 0 "[ . 1 . 2]" 2
538 1 43 LEU H 1 44 TYR HA . . 4.810 4.927 4.878 4.945 0.135 19 0 "[ . 1 . 2]" 2
539 1 40 VAL H 1 42 GLN H . . 4.310 3.936 3.767 4.049 . 0 0 "[ . 1 . 2]" 2
540 1 41 LYS HB3 1 42 GLN H . . 4.470 4.124 4.057 4.230 . 0 0 "[ . 1 . 2]" 2
541 1 42 GLN H 1 42 GLN QG . . 3.380 3.514 3.452 3.561 0.181 10 0 "[ . 1 . 2]" 2
542 1 40 VAL MG2 1 42 GLN H . . 5.030 5.025 4.934 5.091 0.061 2 0 "[ . 1 . 2]" 2
543 1 72 ASP H 1 73 PRO HA . . 5.200 4.230 3.959 4.763 . 0 0 "[ . 1 . 2]" 2
544 1 22 GLY HA3 1 24 MET H . . 4.430 3.223 3.102 3.341 . 0 0 "[ . 1 . 2]" 2
545 1 23 GLU H 1 24 MET H . . 2.950 2.022 1.875 2.141 . 0 0 "[ . 1 . 2]" 2
546 1 62 LEU H 1 63 LEU H . . 3.350 2.752 2.643 2.827 . 0 0 "[ . 1 . 2]" 2
547 1 63 LEU H 1 63 LEU HB2 . . 3.800 2.209 2.052 2.413 . 0 0 "[ . 1 . 2]" 2
548 1 13 LYS H 1 15 LEU H . . 4.520 4.449 4.350 4.540 0.020 9 0 "[ . 1 . 2]" 2
549 1 11 LEU HA 1 13 LYS H . . 4.980 4.319 3.909 4.560 . 0 0 "[ . 1 . 2]" 2
550 1 13 LYS H 1 16 HIS H . . 5.180 4.781 4.701 4.856 . 0 0 "[ . 1 . 2]" 2
551 1 69 SER H 1 72 ASP H . . 5.160 3.504 3.202 3.728 . 0 0 "[ . 1 . 2]" 2
552 1 23 GLU H 1 25 PHE HZ . . 5.500 4.592 4.347 4.859 . 0 0 "[ . 1 . 2]" 2
553 1 28 LYS HA 1 31 MET H . . 4.110 4.024 3.932 4.132 0.022 15 0 "[ . 1 . 2]" 2
554 1 30 VAL HB 1 31 MET H . . 3.270 3.392 3.379 3.408 0.138 16 0 "[ . 1 . 2]" 2
555 1 31 MET H 1 31 MET HG2 . . 4.110 3.037 2.536 3.786 . 0 0 "[ . 1 . 2]" 2
556 1 31 MET H 1 31 MET HG3 . . 4.110 3.356 2.535 3.920 . 0 0 "[ . 1 . 2]" 2
557 1 30 VAL MG2 1 31 MET H . . 4.010 1.996 1.954 2.053 . 0 0 "[ . 1 . 2]" 2
558 1 12 LEU H 1 13 LYS H . . 3.580 2.867 2.813 2.964 . 0 0 "[ . 1 . 2]" 2
559 1 13 LYS H 1 13 LYS HB2 . . 3.430 2.124 2.092 2.157 . 0 0 "[ . 1 . 2]" 2
560 1 2 ILE MD 1 23 GLU H . . 5.290 4.659 4.039 5.293 0.003 20 0 "[ . 1 . 2]" 2
561 1 22 GLY HA3 1 23 GLU H . . 3.570 2.275 2.230 2.310 . 0 0 "[ . 1 . 2]" 2
562 1 20 ALA MB 1 23 GLU H . . 5.500 5.518 5.464 5.537 0.037 4 0 "[ . 1 . 2]" 2
563 1 27 VAL HA 1 31 MET H . . 4.550 3.824 3.752 3.901 . 0 0 "[ . 1 . 2]" 2
564 1 80 LEU H 1 83 ASN H . . 5.210 5.035 4.754 5.282 0.072 16 0 "[ . 1 . 2]" 2
565 1 81 ARG HA 1 83 ASN H . . 4.420 4.340 4.068 4.467 0.047 17 0 "[ . 1 . 2]" 2
566 1 83 ASN H 1 83 ASN HB3 . . 3.740 3.157 2.688 3.664 . 0 0 "[ . 1 . 2]" 2
567 1 82 LYS QB 1 83 ASN H . . 4.140 3.803 3.704 3.910 . 0 0 "[ . 1 . 2]" 2
568 1 82 LYS H 1 82 LYS QD . . 3.410 1.880 1.719 2.089 . 0 0 "[ . 1 . 2]" 2
569 1 81 ARG QB 1 82 LYS H . . 3.520 3.107 2.337 3.596 0.076 2 0 "[ . 1 . 2]" 2
570 1 82 LYS H 1 82 LYS HG2 . . 4.310 3.600 3.524 3.668 . 0 0 "[ . 1 . 2]" 2
571 1 5 VAL H 1 26 THR MG . . 5.200 4.552 4.125 4.830 . 0 0 "[ . 1 . 2]" 2
572 1 4 GLN HG3 1 5 VAL H . . 4.500 3.111 1.780 4.350 . 0 0 "[ . 1 . 2]" 2
573 1 68 PHE HB3 1 69 SER H . . 3.870 3.797 3.709 3.872 0.002 18 0 "[ . 1 . 2]" 2
574 1 69 SER H 1 69 SER HB3 . . 3.840 2.835 2.595 3.272 . 0 0 "[ . 1 . 2]" 2
575 1 63 LEU HB3 1 65 ARG H . . 4.010 2.644 2.333 3.067 . 0 0 "[ . 1 . 2]" 2
576 1 63 LEU MD1 1 65 ARG H . . 5.500 4.237 4.035 4.418 . 0 0 "[ . 1 . 2]" 2
577 1 43 LEU H 1 44 TYR H . . 3.340 2.874 2.577 3.025 . 0 0 "[ . 1 . 2]" 2
578 1 43 LEU HB2 1 44 TYR H . . 4.970 4.274 3.820 4.422 . 0 0 "[ . 1 . 2]" 2
579 1 11 LEU H 1 11 LEU HB2 . . 3.610 2.376 2.114 2.704 . 0 0 "[ . 1 . 2]" 2
580 1 11 LEU H 1 11 LEU HG . . 4.660 3.909 2.899 4.449 . 0 0 "[ . 1 . 2]" 2
581 1 11 LEU H 1 11 LEU HB3 . . 3.610 3.091 2.165 3.649 0.039 3 0 "[ . 1 . 2]" 2
582 1 11 LEU H 1 13 LYS H . . 4.430 3.980 3.732 4.293 . 0 0 "[ . 1 . 2]" 2
583 1 83 ASN HA 1 83 ASN HD21 . . 3.190 2.328 1.854 2.672 . 0 0 "[ . 1 . 2]" 2
584 1 83 ASN HA 1 83 ASN HD22 . . 3.190 3.277 3.252 3.307 0.117 1 0 "[ . 1 . 2]" 2
585 1 19 GLY H 1 36 GLN HE21 . . 4.860 4.181 4.119 4.234 . 0 0 "[ . 1 . 2]" 2
586 1 33 TYR HA 1 36 GLN HE21 . . 4.780 4.469 4.259 4.718 . 0 0 "[ . 1 . 2]" 2
587 1 19 GLY H 1 36 GLN HE22 . . 4.860 4.892 4.881 4.916 0.056 1 0 "[ . 1 . 2]" 2
588 1 54 CYS H 1 55 GLY H . . 3.550 2.710 2.605 2.927 . 0 0 "[ . 1 . 2]" 2
589 1 40 VAL HA 1 42 GLN HE21 . . 5.500 4.921 3.887 5.531 0.031 7 0 "[ . 1 . 2]" 2
590 1 65 ARG HA 1 67 SER H . . 3.880 3.939 3.863 3.964 0.084 19 0 "[ . 1 . 2]" 2
591 1 25 PHE QD 1 26 THR H . . 4.540 4.533 4.459 4.564 0.024 18 0 "[ . 1 . 2]" 2
592 1 25 PHE HB2 1 26 THR H . . 4.140 2.816 2.691 2.873 . 0 0 "[ . 1 . 2]" 2
593 1 26 THR H 1 29 GLU HB2 . . 4.240 2.414 2.176 2.711 . 0 0 "[ . 1 . 2]" 2
594 1 26 THR H 1 29 GLU HB3 . . 4.240 3.862 3.645 4.176 . 0 0 "[ . 1 . 2]" 2
595 1 54 CYS H 1 67 SER H . . 5.340 4.677 4.508 4.913 . 0 0 "[ . 1 . 2]" 2
596 1 66 GLN H 1 67 SER H . . 5.470 2.655 2.534 2.736 . 0 0 "[ . 1 . 2]" 2
597 1 65 ARG QD 1 67 SER H . . 5.130 4.585 3.604 5.150 0.020 20 0 "[ . 1 . 2]" 2
598 1 66 GLN QB 1 67 SER H . . 3.670 3.691 3.048 3.791 0.121 5 0 "[ . 1 . 2]" 2
599 1 65 ARG HG2 1 67 SER H . . 4.650 3.976 1.995 4.685 0.035 12 0 "[ . 1 . 2]" 2
600 1 67 SER H 1 68 PHE H . . 4.990 4.475 4.435 4.500 . 0 0 "[ . 1 . 2]" 2
601 1 22 GLY H 1 23 GLU H . . 5.210 4.403 4.368 4.432 . 0 0 "[ . 1 . 2]" 2
602 1 16 HIS HD2 1 22 GLY H . . 4.950 4.734 4.440 4.949 . 0 0 "[ . 1 . 2]" 2
603 1 22 GLY H 1 23 GLU HA . . 5.030 4.872 4.832 4.916 . 0 0 "[ . 1 . 2]" 2
604 1 21 GLN HB3 1 22 GLY H . . 4.820 4.235 4.164 4.510 . 0 0 "[ . 1 . 2]" 2
605 1 63 LEU HB2 1 64 GLY H . . 4.450 3.036 2.748 3.479 . 0 0 "[ . 1 . 2]" 2
606 1 63 LEU HB3 1 64 GLY H . . 4.450 3.464 3.174 3.684 . 0 0 "[ . 1 . 2]" 2
607 1 58 LEU H 1 60 GLY H . . 5.400 4.168 3.971 4.307 . 0 0 "[ . 1 . 2]" 2
608 1 54 CYS HA 1 60 GLY H . . 5.500 4.621 4.508 4.799 . 0 0 "[ . 1 . 2]" 2
609 1 19 GLY H 1 20 ALA MB . . 4.560 4.066 3.970 4.130 . 0 0 "[ . 1 . 2]" 2
610 1 19 GLY H 1 33 TYR QD . . 5.500 5.521 5.503 5.550 0.050 14 0 "[ . 1 . 2]" 2
611 1 17 ALA H 1 19 GLY H . . 4.840 4.044 3.978 4.093 . 0 0 "[ . 1 . 2]" 2
612 1 48 GLU HG2 1 50 HIS HE1 . . 4.630 2.835 2.541 4.456 . 0 0 "[ . 1 . 2]" 2
613 1 48 GLU QB 1 50 HIS HE1 . . 4.890 3.443 3.032 4.986 0.096 12 0 "[ . 1 . 2]" 2
614 1 49 GLN QB 1 50 HIS HE1 . . 4.840 4.881 4.841 4.892 0.052 2 0 "[ . 1 . 2]" 2
615 1 43 LEU H 1 44 TYR QD . . 4.340 3.133 2.646 3.685 . 0 0 "[ . 1 . 2]" 2
616 1 39 MET HA 1 44 TYR QD . . 3.780 3.701 3.426 3.802 0.022 3 0 "[ . 1 . 2]" 2
617 1 42 GLN HA 1 44 TYR QD . . 5.000 3.153 2.761 3.552 . 0 0 "[ . 1 . 2]" 2
618 1 44 TYR QD 1 52 VAL HA . . 4.650 4.758 4.725 4.778 0.128 15 0 "[ . 1 . 2]" 2
619 1 53 TYR H 1 53 TYR QD . . 4.300 3.540 3.301 3.718 . 0 0 "[ . 1 . 2]" 2
620 1 45 ASP HA 1 53 TYR QD . . 4.500 3.461 3.149 3.754 . 0 0 "[ . 1 . 2]" 2
621 1 18 ALA MB 1 33 TYR QD . . 4.310 3.442 3.287 3.721 . 0 0 "[ . 1 . 2]" 2
622 1 68 PHE HA 1 68 PHE QD . . 4.130 3.769 3.747 3.785 . 0 0 "[ . 1 . 2]" 2
623 1 15 LEU HB2 1 33 TYR QD . . 4.670 4.643 4.465 4.707 0.037 20 0 "[ . 1 . 2]" 2
624 1 15 LEU HB3 1 33 TYR QD . . 4.670 3.316 3.106 3.475 . 0 0 "[ . 1 . 2]" 2
625 1 30 VAL HB 1 33 TYR QD . . 4.720 4.096 3.705 4.270 . 0 0 "[ . 1 . 2]" 2
626 1 33 TYR QD 1 36 GLN QG . . 4.780 3.346 3.123 3.704 . 0 0 "[ . 1 . 2]" 2
627 1 67 SER H 1 68 PHE QD . . 4.400 4.346 4.210 4.427 0.027 11 0 "[ . 1 . 2]" 2
628 1 68 PHE QD 1 70 VAL HA . . 4.800 4.358 4.091 4.557 . 0 0 "[ . 1 . 2]" 2
629 1 18 ALA HA 1 37 TYR QD . . 4.470 3.258 2.863 3.580 . 0 0 "[ . 1 . 2]" 2
630 1 37 TYR QD 1 41 LYS H . . 4.550 4.602 4.564 4.647 0.097 5 0 "[ . 1 . 2]" 2
631 1 76 LEU MD2 1 77 TYR QD . . 5.090 4.259 2.011 5.143 0.053 12 0 "[ . 1 . 2]" 2
632 1 77 TYR QD 1 78 ASP H . . 4.580 4.367 4.155 4.572 . 0 0 "[ . 1 . 2]" 2
633 1 24 MET HA 1 25 PHE QE . . 4.840 4.275 4.085 4.570 . 0 0 "[ . 1 . 2]" 2
634 1 20 ALA HA 1 25 PHE QE . . 4.250 4.279 4.268 4.293 0.043 7 0 "[ . 1 . 2]" 2
635 1 63 LEU MD2 1 68 PHE HZ . . 5.500 4.949 4.196 5.510 0.010 9 0 "[ . 1 . 2]" 2
636 1 45 ASP H 1 53 TYR QE . . 4.760 4.195 3.761 4.740 . 0 0 "[ . 1 . 2]" 2
637 1 53 TYR HA 1 53 TYR QE . . 4.190 4.248 4.238 4.262 0.072 9 0 "[ . 1 . 2]" 2
638 1 39 MET QG 1 44 TYR QE . . 4.680 4.081 3.301 4.421 . 0 0 "[ . 1 . 2]" 2
639 1 44 TYR QE 1 49 GLN QG . . 4.840 3.239 2.406 4.323 . 0 0 "[ . 1 . 2]" 2
640 1 21 GLN HB3 1 33 TYR QE . . 4.510 4.330 4.038 4.558 0.048 14 0 "[ . 1 . 2]" 2
641 1 30 VAL HA 1 33 TYR QE . . 4.440 3.232 2.648 3.599 . 0 0 "[ . 1 . 2]" 2
642 1 21 GLN HB2 1 33 TYR QE . . 4.510 3.544 3.140 3.796 . 0 0 "[ . 1 . 2]" 2
643 1 15 LEU HG 1 33 TYR QE . . 4.630 4.431 4.183 4.646 0.016 3 0 "[ . 1 . 2]" 2
644 1 77 TYR HA 1 77 TYR QE . . 4.850 4.621 4.400 4.739 . 0 0 "[ . 1 . 2]" 2
645 1 16 HIS HD2 1 19 GLY H . . 4.760 4.808 4.789 4.828 0.068 11 0 "[ . 1 . 2]" 2
646 1 16 HIS HA 1 16 HIS HD2 . . 3.050 2.304 2.199 2.491 . 0 0 "[ . 1 . 2]" 2
647 1 1 GLN QB 1 1 GLN QG . . 2.310 2.110 2.011 2.131 . 0 0 "[ . 1 . 2]" 2
648 1 2 ILE H 1 2 ILE QG . . 3.450 2.712 2.425 2.912 . 0 0 "[ . 1 . 2]" 2
649 1 2 ILE H 1 3 ASN QD . . 4.610 3.970 3.276 4.622 0.012 8 0 "[ . 1 . 2]" 2
650 1 2 ILE HA 1 2 ILE QG . . 3.420 2.353 2.221 2.500 . 0 0 "[ . 1 . 2]" 2
651 1 2 ILE HA 1 3 ASN QD . . 4.000 4.057 4.022 4.100 0.100 15 0 "[ . 1 . 2]" 2
652 1 2 ILE MG 1 3 ASN QD . . 5.340 4.510 4.262 4.793 . 0 0 "[ . 1 . 2]" 2
653 1 2 ILE MG 1 24 MET QG . . 4.570 4.452 3.042 4.611 0.041 7 0 "[ . 1 . 2]" 2
654 1 2 ILE QG 1 25 PHE HA . . 4.560 4.599 4.568 4.625 0.065 13 0 "[ . 1 . 2]" 2
655 1 2 ILE MD 1 25 PHE QB . . 3.690 3.438 3.232 3.642 . 0 0 "[ . 1 . 2]" 2
656 1 3 ASN H 1 3 ASN QB . . 3.500 3.054 2.578 3.360 . 0 0 "[ . 1 . 2]" 2
657 1 3 ASN H 1 3 ASN QD . . 4.970 2.704 1.999 3.648 . 0 0 "[ . 1 . 2]" 2
658 1 3 ASN HA 1 3 ASN QD . . 2.380 2.412 2.240 2.501 0.121 5 0 "[ . 1 . 2]" 2
659 1 3 ASN QB 1 4 GLN H . . 3.890 3.920 3.900 3.935 0.045 7 0 "[ . 1 . 2]" 2
660 1 3 ASN QB 1 4 GLN QE . . 5.180 5.034 3.856 5.200 0.020 10 0 "[ . 1 . 2]" 2
661 1 3 ASN QD 1 4 GLN H . . 5.090 4.391 4.236 4.648 . 0 0 "[ . 1 . 2]" 2
662 1 4 GLN HA 1 4 GLN QG . . 3.570 2.601 2.237 2.969 . 0 0 "[ . 1 . 2]" 2
663 1 4 GLN HA 1 5 VAL QG . . 5.240 3.110 2.917 4.089 . 0 0 "[ . 1 . 2]" 2
664 1 4 GLN QB 1 5 VAL H . . 3.330 2.221 1.818 2.692 . 0 0 "[ . 1 . 2]" 2
665 1 4 GLN QB 1 25 PHE H . . 3.930 3.296 3.018 3.641 . 0 0 "[ . 1 . 2]" 2
666 1 4 GLN QG 1 5 VAL H . . 3.880 2.909 1.772 3.957 0.077 19 0 "[ . 1 . 2]" 2
667 1 4 GLN QG 1 26 THR HA . . 4.130 3.011 2.105 4.135 0.005 19 0 "[ . 1 . 2]" 2
668 1 4 GLN QG 1 26 THR MG . . 3.440 1.995 1.877 2.200 . 0 0 "[ . 1 . 2]" 2
669 1 4 GLN QE 1 5 VAL HA . . 5.340 5.362 5.339 5.420 0.080 19 0 "[ . 1 . 2]" 2
670 1 4 GLN QE 1 87 LEU HA . . 4.800 4.154 2.578 4.827 0.027 19 0 "[ . 1 . 2]" 2
671 1 4 GLN QE 1 87 LEU QB . . 4.910 2.674 1.987 4.715 . 0 0 "[ . 1 . 2]" 2
672 1 4 GLN QE 1 87 LEU QD . . 5.270 2.820 2.197 3.919 . 0 0 "[ . 1 . 2]" 2
673 1 5 VAL H 1 5 VAL QG . . 4.120 2.322 1.958 2.581 . 0 0 "[ . 1 . 2]" 2
674 1 5 VAL HA 1 6 ARG QB . . 4.230 4.018 3.618 4.253 0.023 17 0 "[ . 1 . 2]" 2
675 1 5 VAL QG 1 6 ARG H . . 3.410 2.459 2.012 3.238 . 0 0 "[ . 1 . 2]" 2
676 1 5 VAL QG 1 6 ARG HA . . 5.240 3.932 3.585 4.381 . 0 0 "[ . 1 . 2]" 2
677 1 5 VAL QG 1 6 ARG QB . . 4.530 3.989 3.406 4.622 0.092 20 0 "[ . 1 . 2]" 2
678 1 5 VAL QG 1 7 PRO HA . . 4.700 4.363 4.032 5.039 0.339 18 0 "[ . 1 . 2]" 2
679 1 5 VAL QG 1 7 PRO QD . . 4.520 4.228 3.906 4.593 0.073 17 0 "[ . 1 . 2]" 2
680 1 5 VAL QG 1 25 PHE H . . 4.320 4.331 3.688 4.738 0.418 12 0 "[ . 1 . 2]" 2
681 1 5 VAL QG 1 25 PHE QD . . 4.390 5.113 4.414 5.582 1.192 12 12 "[****. ***1-+ ** * 2]" 2
682 1 5 VAL QG 1 86 THR HB . . 4.390 3.695 2.235 4.936 0.546 1 1 "[+ . 1 . 2]" 2
683 1 6 ARG H 1 6 ARG QB . . 2.950 2.486 2.171 2.778 . 0 0 "[ . 1 . 2]" 2
684 1 6 ARG H 1 6 ARG QG . . 4.270 3.094 2.119 4.024 . 0 0 "[ . 1 . 2]" 2
685 1 6 ARG H 1 7 PRO QD . . 5.340 4.355 4.244 4.437 . 0 0 "[ . 1 . 2]" 2
686 1 6 ARG HA 1 6 ARG QG . . 3.410 2.957 2.421 3.420 0.010 9 0 "[ . 1 . 2]" 2
687 1 6 ARG HA 1 7 PRO QD . . 2.640 2.024 1.965 2.084 . 0 0 "[ . 1 . 2]" 2
688 1 6 ARG HA 1 84 LEU QD . . 4.620 3.973 3.456 4.606 . 0 0 "[ . 1 . 2]" 2
689 1 6 ARG QB 1 6 ARG QD . . 3.170 2.206 2.074 2.407 . 0 0 "[ . 1 . 2]" 2
690 1 6 ARG QD 1 12 LEU QD . . 4.120 3.518 2.300 4.984 0.864 17 2 "[ . 1- . + 2]" 2
691 1 7 PRO HA 1 11 LEU QB . . 4.750 4.247 3.821 4.507 . 0 0 "[ . 1 . 2]" 2
692 1 7 PRO HA 1 83 ASN QB . . 4.710 4.608 4.205 4.784 0.074 11 0 "[ . 1 . 2]" 2
693 1 7 PRO HA 1 84 LEU QD . . 3.260 2.555 2.207 3.315 0.055 6 0 "[ . 1 . 2]" 2
694 1 7 PRO QB 1 8 LYS H . . 4.010 2.656 2.539 2.822 . 0 0 "[ . 1 . 2]" 2
695 1 7 PRO QB 1 11 LEU QB . . 4.160 2.201 1.947 2.765 . 0 0 "[ . 1 . 2]" 2
696 1 7 PRO QB 1 12 LEU HA . . 4.730 3.832 2.984 4.551 . 0 0 "[ . 1 . 2]" 2
697 1 7 PRO QB 1 84 LEU QD . . 3.820 2.348 2.026 3.415 . 0 0 "[ . 1 . 2]" 2
698 1 7 PRO QG 1 12 LEU H . . 4.920 3.522 3.012 4.394 . 0 0 "[ . 1 . 2]" 2
699 1 7 PRO QG 1 12 LEU HA . . 4.030 2.808 2.555 3.208 . 0 0 "[ . 1 . 2]" 2
700 1 7 PRO QG 1 12 LEU QD . . 4.100 2.543 2.219 2.917 . 0 0 "[ . 1 . 2]" 2
701 1 7 PRO QG 1 15 LEU QB . . 3.940 3.941 3.839 3.985 0.045 3 0 "[ . 1 . 2]" 2
702 1 7 PRO QG 1 15 LEU QD . . 3.560 2.113 2.031 2.231 . 0 0 "[ . 1 . 2]" 2
703 1 7 PRO QG 1 25 PHE QE . . 3.690 2.772 2.462 2.918 . 0 0 "[ . 1 . 2]" 2
704 1 7 PRO QG 1 25 PHE HZ . . 4.490 4.471 4.351 4.524 0.034 10 0 "[ . 1 . 2]" 2
705 1 7 PRO QG 1 84 LEU QD . . 4.730 2.949 2.112 3.527 . 0 0 "[ . 1 . 2]" 2
706 1 7 PRO QD 1 12 LEU HA . . 4.750 4.219 3.785 4.542 . 0 0 "[ . 1 . 2]" 2
707 1 7 PRO QD 1 12 LEU QD . . 4.210 2.368 2.082 2.785 . 0 0 "[ . 1 . 2]" 2
708 1 7 PRO QD 1 25 PHE QE . . 3.550 2.174 2.049 2.263 . 0 0 "[ . 1 . 2]" 2
709 1 7 PRO QD 1 25 PHE HZ . . 4.590 4.169 3.967 4.267 . 0 0 "[ . 1 . 2]" 2
710 1 7 PRO QD 1 84 LEU QD . . 4.140 2.893 2.545 3.210 . 0 0 "[ . 1 . 2]" 2
711 1 8 LYS H 1 8 LYS QB . . 3.010 2.180 2.049 2.328 . 0 0 "[ . 1 . 2]" 2
712 1 8 LYS H 1 8 LYS QG . . 3.950 3.766 2.604 3.945 . 0 0 "[ . 1 . 2]" 2
713 1 8 LYS H 1 11 LEU QD . . 4.560 3.373 2.526 4.223 . 0 0 "[ . 1 . 2]" 2
714 1 8 LYS H 1 83 ASN QB . . 4.190 3.660 3.057 4.171 . 0 0 "[ . 1 . 2]" 2
715 1 8 LYS HA 1 9 LEU QD . . 4.180 4.530 3.197 5.203 1.023 16 10 "[ **-* *1* *.+* *2]" 2
716 1 8 LYS HA 1 10 PRO QD . . 4.320 4.074 3.940 4.181 . 0 0 "[ . 1 . 2]" 2
717 1 8 LYS QB 1 9 LEU H . . 3.490 3.155 2.584 3.359 . 0 0 "[ . 1 . 2]" 2
718 1 8 LYS QB 1 10 PRO QD . . 3.870 2.542 2.106 3.047 . 0 0 "[ . 1 . 2]" 2
719 1 8 LYS QB 1 11 LEU QD . . 4.400 3.480 2.201 4.614 0.214 7 0 "[ . 1 . 2]" 2
720 1 8 LYS QG 1 83 ASN QD . . 5.260 3.484 2.353 4.083 . 0 0 "[ . 1 . 2]" 2
721 1 8 LYS QD 1 83 ASN QD . . 4.680 2.750 2.067 4.681 0.001 9 0 "[ . 1 . 2]" 2
722 1 8 LYS QE 1 9 LEU QD . . 3.930 4.475 3.844 5.014 1.084 5 12 "[ **+** *-* * .** *2]" 2
723 1 8 LYS QE 1 10 PRO QG . . 4.510 4.285 3.535 4.527 0.017 14 0 "[ . 1 . 2]" 2
724 1 9 LEU H 1 9 LEU QB . . 3.100 2.291 2.116 2.533 . 0 0 "[ . 1 . 2]" 2
725 1 9 LEU H 1 9 LEU QD . . 3.710 3.209 2.017 3.700 . 0 0 "[ . 1 . 2]" 2
726 1 9 LEU H 1 10 PRO QD . . 3.720 2.666 2.553 2.838 . 0 0 "[ . 1 . 2]" 2
727 1 9 LEU H 1 11 LEU QD . . 5.440 5.767 4.695 6.464 1.024 1 13 "[+ - **** *****. * *]" 2
728 1 9 LEU HA 1 9 LEU QD . . 2.800 2.173 2.049 2.507 . 0 0 "[ . 1 . 2]" 2
729 1 9 LEU HA 1 12 LEU QB . . 3.350 2.476 2.239 2.866 . 0 0 "[ . 1 . 2]" 2
730 1 9 LEU QB 1 10 PRO QD . . 2.840 2.185 2.037 2.281 . 0 0 "[ . 1 . 2]" 2
731 1 9 LEU QD 1 10 PRO QD . . 3.900 3.362 2.548 3.665 . 0 0 "[ . 1 . 2]" 2
732 1 10 PRO HA 1 11 LEU QD . . 4.460 5.217 4.335 5.937 1.477 8 11 "[* **-+ *** *. * *]" 2
733 1 10 PRO HA 1 13 LYS QB . . 4.270 2.705 2.456 3.036 . 0 0 "[ . 1 . 2]" 2
734 1 10 PRO QB 1 11 LEU H . . 3.460 3.148 2.651 3.439 . 0 0 "[ . 1 . 2]" 2
735 1 10 PRO QB 1 11 LEU HA . . 4.170 4.087 3.867 4.198 0.028 2 0 "[ . 1 . 2]" 2
736 1 10 PRO QB 1 11 LEU QD . . 3.700 3.888 2.511 5.005 1.305 5 11 "[* +*** *** *. * -]" 2
737 1 10 PRO QB 1 13 LYS H . . 5.220 5.061 4.961 5.240 0.020 5 0 "[ . 1 . 2]" 2
738 1 10 PRO QB 1 58 LEU QD . . 3.990 3.440 2.235 4.636 0.646 3 1 "[ + . 1 . 2]" 2
739 1 10 PRO QG 1 11 LEU H . . 4.080 2.849 2.349 4.026 . 0 0 "[ . 1 . 2]" 2
740 1 10 PRO QG 1 11 LEU QD . . 4.410 3.832 2.170 5.382 0.972 20 3 "[ . * 1 - . +]" 2
741 1 10 PRO QD 1 11 LEU H . . 3.810 3.002 2.539 3.387 . 0 0 "[ . 1 . 2]" 2
742 1 10 PRO QD 1 11 LEU QD . . 4.950 4.558 3.241 5.652 0.702 12 2 "[ . 1 + . - 2]" 2
743 1 11 LEU H 1 11 LEU QB . . 3.000 2.238 2.071 2.489 . 0 0 "[ . 1 . 2]" 2
744 1 11 LEU H 1 11 LEU QD . . 3.870 3.129 2.229 3.848 . 0 0 "[ . 1 . 2]" 2
745 1 11 LEU HA 1 11 LEU QD . . 2.800 2.447 2.077 2.904 0.104 2 0 "[ . 1 . 2]" 2
746 1 11 LEU HA 1 14 ILE QG . . 4.670 3.368 2.487 4.215 . 0 0 "[ . 1 . 2]" 2
747 1 11 LEU QB 1 11 LEU QD . . 2.860 1.981 1.913 2.098 . 0 0 "[ . 1 . 2]" 2
748 1 11 LEU QB 1 12 LEU H . . 3.580 2.553 2.385 2.887 . 0 0 "[ . 1 . 2]" 2
749 1 11 LEU QB 1 83 ASN QB . . 3.770 3.519 2.468 3.814 0.044 3 0 "[ . 1 . 2]" 2
750 1 11 LEU QD 1 12 LEU H . . 4.640 3.805 3.369 4.172 . 0 0 "[ . 1 . 2]" 2
751 1 11 LEU QD 1 15 LEU QD . . 5.370 2.910 1.852 4.344 . 0 0 "[ . 1 . 2]" 2
752 1 11 LEU QD 1 83 ASN H . . 4.570 4.253 3.749 5.390 0.820 1 3 "[+ . * -1 . 2]" 2
753 1 11 LEU QD 1 83 ASN HA . . 4.100 4.223 3.850 5.358 1.258 1 2 "[+ . - 1 . 2]" 2
754 1 11 LEU QD 1 83 ASN QB . . 3.440 2.169 1.872 3.268 . 0 0 "[ . 1 . 2]" 2
755 1 12 LEU H 1 12 LEU QD . . 4.050 3.678 3.651 3.707 . 0 0 "[ . 1 . 2]" 2
756 1 12 LEU H 1 15 LEU QD . . 5.100 3.877 3.646 4.033 . 0 0 "[ . 1 . 2]" 2
757 1 12 LEU HA 1 12 LEU QD . . 3.010 2.167 2.118 2.234 . 0 0 "[ . 1 . 2]" 2
758 1 12 LEU HA 1 15 LEU QB . . 3.870 2.526 2.354 2.862 . 0 0 "[ . 1 . 2]" 2
759 1 12 LEU HA 1 15 LEU QD . . 3.810 2.302 2.187 2.509 . 0 0 "[ . 1 . 2]" 2
760 1 12 LEU QB 1 13 LYS H . . 3.420 2.708 2.620 2.836 . 0 0 "[ . 1 . 2]" 2
761 1 12 LEU QB 1 15 LEU QD . . 4.050 3.730 3.634 3.871 . 0 0 "[ . 1 . 2]" 2
762 1 12 LEU QD 1 13 LYS H . . 3.430 3.941 3.314 4.153 0.723 3 16 "[ *+*****-* ***** **2]" 2
763 1 12 LEU QD 1 13 LYS HA . . 4.460 4.289 3.190 4.637 0.177 18 0 "[ . 1 . 2]" 2
764 1 12 LEU QD 1 13 LYS QB . . 4.300 4.800 3.971 5.038 0.738 10 16 "[ ********+ **-** **2]" 2
765 1 12 LEU QD 1 13 LYS QD . . 3.910 4.425 3.273 4.819 0.909 10 16 "[ ********+ **-** **2]" 2
766 1 12 LEU QD 1 13 LYS QE . . 4.170 4.818 4.109 5.089 0.919 13 16 "[ ********* *+*** -*2]" 2
767 1 12 LEU QD 1 14 ILE H . . 4.730 5.190 4.766 5.532 0.802 14 8 "[ .*-* 1 +** **2]" 2
768 1 12 LEU QD 1 15 LEU H . . 4.800 4.236 3.908 4.567 . 0 0 "[ . 1 . 2]" 2
769 1 12 LEU QD 1 15 LEU QB . . 4.410 2.577 2.227 2.901 . 0 0 "[ . 1 . 2]" 2
770 1 12 LEU QD 1 15 LEU QD . . 4.010 2.662 2.262 3.058 . 0 0 "[ . 1 . 2]" 2
771 1 12 LEU QD 1 16 HIS H . . 4.930 3.587 3.182 3.921 . 0 0 "[ . 1 . 2]" 2
772 1 12 LEU QD 1 16 HIS HD2 . . 4.200 3.044 2.718 3.377 . 0 0 "[ . 1 . 2]" 2
773 1 12 LEU QD 1 16 HIS HE1 . . 3.430 2.946 2.750 3.097 . 0 0 "[ . 1 . 2]" 2
774 1 12 LEU QD 1 17 ALA H . . 5.440 5.609 4.871 5.970 0.530 18 1 "[ . 1 . + 2]" 2
775 1 12 LEU QD 1 23 GLU HA . . 3.310 2.382 2.169 2.605 . 0 0 "[ . 1 . 2]" 2
776 1 12 LEU QD 1 23 GLU QB . . 3.930 2.873 2.206 3.368 . 0 0 "[ . 1 . 2]" 2
777 1 12 LEU QD 1 23 GLU QG . . 4.030 2.358 2.166 3.757 . 0 0 "[ . 1 . 2]" 2
778 1 12 LEU QD 1 25 PHE QE . . 3.350 2.544 2.404 2.861 . 0 0 "[ . 1 . 2]" 2
779 1 12 LEU QD 1 25 PHE HZ . . 4.290 2.493 2.313 2.727 . 0 0 "[ . 1 . 2]" 2
780 1 13 LYS H 1 13 LYS QB . . 2.780 2.082 2.053 2.111 . 0 0 "[ . 1 . 2]" 2
781 1 13 LYS H 1 14 ILE QG . . 5.340 4.676 4.367 5.420 0.080 13 0 "[ . 1 . 2]" 2
782 1 13 LYS HA 1 13 LYS QB . . 2.580 2.549 2.528 2.567 . 0 0 "[ . 1 . 2]" 2
783 1 13 LYS QB 1 14 ILE H . . 3.710 2.688 2.509 2.839 . 0 0 "[ . 1 . 2]" 2
784 1 13 LYS QB 1 58 LEU QD . . 2.840 2.337 2.029 3.389 0.549 10 1 "[ . + . 2]" 2
785 1 14 ILE H 1 14 ILE QG . . 3.140 2.287 2.035 3.156 0.016 4 0 "[ . 1 . 2]" 2
786 1 14 ILE HA 1 14 ILE QG . . 3.010 2.641 2.316 3.063 0.053 2 0 "[ . 1 . 2]" 2
787 1 14 ILE QG 1 14 ILE MG . . 3.120 2.210 2.037 2.263 . 0 0 "[ . 1 . 2]" 2
788 1 14 ILE MG 1 15 LEU QD . . 3.890 2.595 2.326 2.864 . 0 0 "[ . 1 . 2]" 2
789 1 14 ILE MG 1 37 TYR QB . . 4.380 3.004 2.700 3.229 . 0 0 "[ . 1 . 2]" 2
790 1 14 ILE MG 1 59 LEU QD . . 3.850 2.082 1.997 2.219 . 0 0 "[ . 1 . 2]" 2
791 1 14 ILE MG 1 62 LEU QD . . 4.180 3.561 2.227 4.743 0.563 19 2 "[ - 1 . +2]" 2
792 1 14 ILE QG 1 15 LEU H . . 4.910 4.058 3.765 4.467 . 0 0 "[ . 1 . 2]" 2
793 1 14 ILE QG 1 17 ALA MB . . 4.830 4.514 4.107 4.898 0.068 1 0 "[ . 1 . 2]" 2
794 1 14 ILE MD 1 61 GLU QG . . 5.010 4.267 3.147 4.794 . 0 0 "[ . 1 . 2]" 2
795 1 14 ILE MD 1 62 LEU QB . . 3.500 2.580 2.210 3.179 . 0 0 "[ . 1 . 2]" 2
796 1 14 ILE MD 1 62 LEU QD . . 3.810 2.488 1.889 3.365 . 0 0 "[ . 1 . 2]" 2
797 1 15 LEU H 1 15 LEU QB . . 3.240 2.247 2.140 2.351 . 0 0 "[ . 1 . 2]" 2
798 1 15 LEU HA 1 15 LEU QD . . 3.090 2.466 2.230 2.837 . 0 0 "[ . 1 . 2]" 2
799 1 15 LEU HA 1 33 TYR QB . . 3.530 2.334 2.200 2.501 . 0 0 "[ . 1 . 2]" 2
800 1 15 LEU QB 1 16 HIS H . . 3.420 2.534 2.447 2.606 . 0 0 "[ . 1 . 2]" 2
801 1 15 LEU QB 1 16 HIS HD2 . . 4.560 3.029 2.832 3.292 . 0 0 "[ . 1 . 2]" 2
802 1 15 LEU QB 1 20 ALA H . . 5.220 4.226 3.985 4.434 . 0 0 "[ . 1 . 2]" 2
803 1 15 LEU QB 1 33 TYR QD . . 4.040 3.248 3.051 3.389 . 0 0 "[ . 1 . 2]" 2
804 1 15 LEU QB 1 33 TYR QE . . 4.440 4.435 4.320 4.462 0.022 14 0 "[ . 1 . 2]" 2
805 1 15 LEU QD 1 16 HIS H . . 4.440 3.842 3.733 3.960 . 0 0 "[ . 1 . 2]" 2
806 1 15 LEU QD 1 18 ALA H . . 5.440 5.055 4.816 5.294 . 0 0 "[ . 1 . 2]" 2
807 1 15 LEU QD 1 18 ALA MB . . 5.200 4.138 3.759 4.562 . 0 0 "[ . 1 . 2]" 2
808 1 15 LEU QD 1 30 VAL HA . . 3.480 2.808 2.632 3.201 . 0 0 "[ . 1 . 2]" 2
809 1 15 LEU QD 1 30 VAL QG . . 3.130 2.187 2.043 2.345 . 0 0 "[ . 1 . 2]" 2
810 1 15 LEU QD 1 33 TYR H . . 4.820 4.420 4.175 4.608 . 0 0 "[ . 1 . 2]" 2
811 1 15 LEU QD 1 33 TYR HA . . 4.830 5.000 4.606 5.330 0.500 3 0 "[ . 1 . 2]" 2
812 1 15 LEU QD 1 33 TYR QB . . 2.970 2.756 2.381 3.091 0.121 3 0 "[ . 1 . 2]" 2
813 1 15 LEU QD 1 33 TYR QD . . 4.040 2.844 2.424 3.101 . 0 0 "[ . 1 . 2]" 2
814 1 15 LEU QD 1 34 LEU H . . 3.720 3.968 3.397 4.475 0.755 13 8 "[ **** -* *+ . 2]" 2
815 1 18 ALA H 1 37 TYR QB . . 4.780 4.106 3.971 4.215 . 0 0 "[ . 1 . 2]" 2
816 1 18 ALA HA 1 36 GLN QE . . 5.210 3.620 3.533 3.736 . 0 0 "[ . 1 . 2]" 2
817 1 18 ALA HA 1 40 VAL QG . . 3.830 2.930 2.687 3.935 0.105 2 0 "[ . 1 . 2]" 2
818 1 18 ALA MB 1 33 TYR QB . . 3.610 2.475 2.282 2.639 . 0 0 "[ . 1 . 2]" 2
819 1 18 ALA MB 1 36 GLN QE . . 4.200 2.582 2.473 2.738 . 0 0 "[ . 1 . 2]" 2
820 1 18 ALA MB 1 37 TYR QB . . 3.260 2.011 1.981 2.038 . 0 0 "[ . 1 . 2]" 2
821 1 18 ALA MB 1 40 VAL QG . . 4.430 3.391 3.272 4.232 . 0 0 "[ . 1 . 2]" 2
822 1 19 GLY H 1 36 GLN QE . . 4.160 3.958 3.916 3.992 . 0 0 "[ . 1 . 2]" 2
823 1 19 GLY QA 1 36 GLN QE . . 4.650 3.039 2.893 3.156 . 0 0 "[ . 1 . 2]" 2
824 1 20 ALA H 1 33 TYR QB . . 5.330 4.763 4.226 5.216 . 0 0 "[ . 1 . 2]" 2
825 1 20 ALA H 1 36 GLN QE . . 4.770 4.348 4.134 4.543 . 0 0 "[ . 1 . 2]" 2
826 1 20 ALA HA 1 21 GLN QB . . 5.340 3.858 3.776 4.271 . 0 0 "[ . 1 . 2]" 2
827 1 20 ALA MB 1 21 GLN QB . . 5.120 4.145 4.076 4.299 . 0 0 "[ . 1 . 2]" 2
828 1 20 ALA MB 1 33 TYR QB . . 4.350 3.329 3.045 3.525 . 0 0 "[ . 1 . 2]" 2
829 1 21 GLN H 1 21 GLN QB . . 3.230 2.321 2.255 2.390 . 0 0 "[ . 1 . 2]" 2
830 1 21 GLN H 1 21 GLN QG . . 4.360 4.010 2.686 4.185 . 0 0 "[ . 1 . 2]" 2
831 1 21 GLN HA 1 22 GLY QA . . 4.260 4.099 4.075 4.114 . 0 0 "[ . 1 . 2]" 2
832 1 21 GLN QB 1 22 GLY H . . 4.040 3.888 3.851 3.934 . 0 0 "[ . 1 . 2]" 2
833 1 21 GLN QB 1 25 PHE QD . . 4.240 4.169 3.749 4.251 0.011 7 0 "[ . 1 . 2]" 2
834 1 22 GLY QA 1 23 GLU H . . 3.090 2.176 2.146 2.197 . 0 0 "[ . 1 . 2]" 2
835 1 22 GLY QA 1 23 GLU QG . . 3.980 3.486 3.323 3.661 . 0 0 "[ . 1 . 2]" 2
836 1 23 GLU H 1 23 GLU QB . . 3.520 2.597 2.464 3.129 . 0 0 "[ . 1 . 2]" 2
837 1 23 GLU H 1 23 GLU QG . . 4.410 3.000 2.293 3.114 . 0 0 "[ . 1 . 2]" 2
838 1 23 GLU QB 1 24 MET H . . 4.200 3.363 3.016 4.013 . 0 0 "[ . 1 . 2]" 2
839 1 23 GLU QB 1 24 MET QB . . 5.200 4.284 3.971 5.084 . 0 0 "[ . 1 . 2]" 2
840 1 23 GLU QG 1 24 MET H . . 4.510 4.405 3.397 4.514 0.004 1 0 "[ . 1 . 2]" 2
841 1 24 MET H 1 24 MET QG . . 4.030 3.331 2.106 3.992 . 0 0 "[ . 1 . 2]" 2
842 1 24 MET HA 1 24 MET QG . . 3.200 2.417 2.265 3.286 0.086 10 0 "[ . 1 . 2]" 2
843 1 25 PHE H 1 25 PHE QB . . 3.560 3.255 3.201 3.315 . 0 0 "[ . 1 . 2]" 2
844 1 25 PHE H 1 30 VAL QG . . 4.160 3.743 3.580 3.827 . 0 0 "[ . 1 . 2]" 2
845 1 25 PHE HA 1 29 GLU QB . . 4.480 3.600 3.427 3.759 . 0 0 "[ . 1 . 2]" 2
846 1 25 PHE QB 1 26 THR H . . 3.340 2.525 2.412 2.585 . 0 0 "[ . 1 . 2]" 2
847 1 25 PHE QB 1 29 GLU H . . 5.090 4.004 3.912 4.066 . 0 0 "[ . 1 . 2]" 2
848 1 25 PHE QB 1 29 GLU QB . . 3.510 2.036 1.947 2.107 . 0 0 "[ . 1 . 2]" 2
849 1 25 PHE QB 1 30 VAL H . . 4.630 2.909 2.847 2.984 . 0 0 "[ . 1 . 2]" 2
850 1 25 PHE QB 1 30 VAL QG . . 3.880 2.256 2.205 2.372 . 0 0 "[ . 1 . 2]" 2
851 1 25 PHE QB 1 33 TYR QE . . 4.380 3.154 2.840 3.372 . 0 0 "[ . 1 . 2]" 2
852 1 25 PHE QD 1 29 GLU QB . . 4.430 3.353 3.044 3.546 . 0 0 "[ . 1 . 2]" 2
853 1 25 PHE QD 1 30 VAL QG . . 3.640 2.266 2.187 2.371 . 0 0 "[ . 1 . 2]" 2
854 1 25 PHE QE 1 30 VAL QG . . 4.430 3.191 3.047 3.374 . 0 0 "[ . 1 . 2]" 2
855 1 26 THR H 1 29 GLU QB . . 3.380 2.391 2.160 2.678 . 0 0 "[ . 1 . 2]" 2
856 1 26 THR H 1 29 GLU QG . . 4.640 3.283 2.764 3.515 . 0 0 "[ . 1 . 2]" 2
857 1 26 THR H 1 30 VAL QG . . 4.530 3.991 3.873 4.125 . 0 0 "[ . 1 . 2]" 2
858 1 26 THR HA 1 27 VAL QG . . 4.250 3.983 3.731 4.223 . 0 0 "[ . 1 . 2]" 2
859 1 26 THR HB 1 27 VAL QG . . 4.560 3.545 2.937 4.105 . 0 0 "[ . 1 . 2]" 2
860 1 26 THR HB 1 28 LYS QD . . 4.030 4.014 3.713 4.067 0.037 6 0 "[ . 1 . 2]" 2
861 1 26 THR HB 1 28 LYS QE . . 3.440 3.417 3.154 3.478 0.038 6 0 "[ . 1 . 2]" 2
862 1 26 THR HB 1 29 GLU QB . . 4.720 4.537 4.419 4.723 0.003 11 0 "[ . 1 . 2]" 2
863 1 26 THR MG 1 28 LYS QE . . 3.570 3.037 2.643 3.588 0.018 15 0 "[ . 1 . 2]" 2
864 1 26 THR MG 1 29 GLU QB . . 5.050 4.242 3.846 4.889 . 0 0 "[ . 1 . 2]" 2
865 1 27 VAL H 1 27 VAL QG . . 2.920 2.241 2.088 2.436 . 0 0 "[ . 1 . 2]" 2
866 1 27 VAL H 1 28 LYS QB . . 4.630 4.661 4.140 4.704 0.074 19 0 "[ . 1 . 2]" 2
867 1 27 VAL H 1 30 VAL QG . . 3.690 3.671 3.621 3.734 0.044 18 0 "[ . 1 . 2]" 2
868 1 27 VAL HA 1 27 VAL QG . . 2.820 2.175 2.102 2.271 . 0 0 "[ . 1 . 2]" 2
869 1 27 VAL HA 1 30 VAL QG . . 3.140 1.901 1.879 1.924 . 0 0 "[ . 1 . 2]" 2
870 1 27 VAL QG 1 28 LYS H . . 3.550 2.638 2.092 3.211 . 0 0 "[ . 1 . 2]" 2
871 1 27 VAL QG 1 28 LYS HA . . 4.200 3.268 3.079 3.574 . 0 0 "[ . 1 . 2]" 2
872 1 27 VAL QG 1 28 LYS QB . . 4.070 3.223 2.519 3.885 . 0 0 "[ . 1 . 2]" 2
873 1 27 VAL QG 1 31 MET QB . . 4.910 3.420 3.277 3.582 . 0 0 "[ . 1 . 2]" 2
874 1 27 VAL QG 1 77 TYR QD . . 4.620 3.206 2.508 3.928 . 0 0 "[ . 1 . 2]" 2
875 1 27 VAL QG 1 77 TYR QE . . 3.870 2.763 2.315 3.425 . 0 0 "[ . 1 . 2]" 2
876 1 27 VAL QG 1 86 THR MG . . 3.910 2.671 2.184 3.747 . 0 0 "[ . 1 . 2]" 2
877 1 28 LYS H 1 28 LYS QB . . 2.770 2.229 2.027 2.463 . 0 0 "[ . 1 . 2]" 2
878 1 28 LYS H 1 28 LYS QG . . 4.060 2.371 1.855 3.985 . 0 0 "[ . 1 . 2]" 2
879 1 28 LYS H 1 28 LYS QD . . 5.340 3.750 3.474 4.358 . 0 0 "[ . 1 . 2]" 2
880 1 28 LYS H 1 29 GLU QB . . 5.290 4.683 4.527 4.851 . 0 0 "[ . 1 . 2]" 2
881 1 28 LYS H 1 30 VAL QG . . 4.590 4.045 3.971 4.166 . 0 0 "[ . 1 . 2]" 2
882 1 28 LYS HA 1 28 LYS QB . . 2.470 2.165 2.086 2.349 . 0 0 "[ . 1 . 2]" 2
883 1 28 LYS HA 1 30 VAL QG . . 4.340 4.503 4.442 4.590 0.250 6 0 "[ . 1 . 2]" 2
884 1 28 LYS HA 1 31 MET QB . . 4.340 4.175 4.061 4.341 0.001 6 0 "[ . 1 . 2]" 2
885 1 28 LYS QB 1 29 GLU H . . 3.720 3.470 2.359 3.618 . 0 0 "[ . 1 . 2]" 2
886 1 28 LYS QD 1 28 LYS QG . . 2.350 2.085 2.000 2.121 . 0 0 "[ . 1 . 2]" 2
887 1 28 LYS QE 1 28 LYS QG . . 3.150 2.195 2.081 2.797 . 0 0 "[ . 1 . 2]" 2
888 1 28 LYS QG 1 29 GLU H . . 4.570 2.603 2.362 3.807 . 0 0 "[ . 1 . 2]" 2
889 1 28 LYS QD 1 29 GLU QG . . 4.850 4.054 2.086 4.445 . 0 0 "[ . 1 . 2]" 2
890 1 29 GLU H 1 29 GLU QB . . 3.160 2.333 2.281 2.435 . 0 0 "[ . 1 . 2]" 2
891 1 29 GLU H 1 29 GLU QG . . 3.310 2.533 2.399 2.604 . 0 0 "[ . 1 . 2]" 2
892 1 29 GLU H 1 30 VAL QG . . 3.850 3.684 3.520 3.839 . 0 0 "[ . 1 . 2]" 2
893 1 29 GLU HA 1 29 GLU QG . . 3.400 2.541 2.322 3.072 . 0 0 "[ . 1 . 2]" 2
894 1 29 GLU HA 1 32 HIS QB . . 3.130 2.712 2.490 2.977 . 0 0 "[ . 1 . 2]" 2
895 1 29 GLU QB 1 30 VAL H . . 4.080 2.537 2.452 2.679 . 0 0 "[ . 1 . 2]" 2
896 1 29 GLU QB 1 30 VAL HA . . 4.650 3.918 3.840 3.989 . 0 0 "[ . 1 . 2]" 2
897 1 29 GLU QG 1 33 TYR QE . . 4.900 4.775 4.521 4.916 0.016 12 0 "[ . 1 . 2]" 2
898 1 30 VAL HA 1 30 VAL QG . . 2.820 2.211 2.202 2.225 . 0 0 "[ . 1 . 2]" 2
899 1 30 VAL HA 1 33 TYR QB . . 4.580 3.584 3.251 3.800 . 0 0 "[ . 1 . 2]" 2
900 1 30 VAL QG 1 31 MET H . . 3.130 1.991 1.950 2.047 . 0 0 "[ . 1 . 2]" 2
901 1 30 VAL QG 1 31 MET QB . . 3.680 2.930 2.753 3.048 . 0 0 "[ . 1 . 2]" 2
902 1 30 VAL QG 1 32 HIS H . . 5.440 4.252 4.191 4.305 . 0 0 "[ . 1 . 2]" 2
903 1 30 VAL QG 1 33 TYR H . . 5.440 4.801 4.668 4.889 . 0 0 "[ . 1 . 2]" 2
904 1 30 VAL QG 1 33 TYR QD . . 4.400 3.412 3.248 3.593 . 0 0 "[ . 1 . 2]" 2
905 1 30 VAL QG 1 80 LEU QD . . 3.340 2.105 1.949 2.246 . 0 0 "[ . 1 . 2]" 2
906 1 31 MET H 1 31 MET QB . . 3.200 2.383 2.308 2.442 . 0 0 "[ . 1 . 2]" 2
907 1 31 MET H 1 31 MET QG . . 3.300 2.570 2.486 2.720 . 0 0 "[ . 1 . 2]" 2
908 1 31 MET H 1 80 LEU QD . . 3.850 3.581 3.308 3.717 . 0 0 "[ . 1 . 2]" 2
909 1 31 MET HA 1 34 LEU QB . . 3.890 3.055 2.233 3.582 . 0 0 "[ . 1 . 2]" 2
910 1 31 MET QB 1 31 MET ME . . 3.320 2.116 2.077 2.173 . 0 0 "[ . 1 . 2]" 2
911 1 31 MET QB 1 79 MET ME . . 4.330 4.308 4.124 4.359 0.029 17 0 "[ . 1 . 2]" 2
912 1 31 MET QB 1 80 LEU QD . . 4.340 2.716 2.202 3.067 . 0 0 "[ . 1 . 2]" 2
913 1 31 MET QG 1 32 HIS H . . 3.870 2.773 2.571 2.908 . 0 0 "[ . 1 . 2]" 2
914 1 31 MET QG 1 32 HIS HA . . 4.630 3.850 3.438 4.382 . 0 0 "[ . 1 . 2]" 2
915 1 31 MET QG 1 33 TYR H . . 5.260 5.008 4.801 5.250 . 0 0 "[ . 1 . 2]" 2
916 1 31 MET ME 1 76 LEU QD . . 3.280 2.265 1.865 2.881 . 0 0 "[ . 1 . 2]" 2
917 1 32 HIS H 1 32 HIS QB . . 3.110 2.274 2.238 2.310 . 0 0 "[ . 1 . 2]" 2
918 1 32 HIS QB 1 33 TYR H . . 3.360 2.667 2.606 2.707 . 0 0 "[ . 1 . 2]" 2
919 1 32 HIS QB 1 33 TYR QE . . 4.610 4.467 4.184 4.629 0.019 8 0 "[ . 1 . 2]" 2
920 1 33 TYR H 1 33 TYR QB . . 3.300 2.576 2.520 2.711 . 0 0 "[ . 1 . 2]" 2
921 1 33 TYR QB 1 36 GLN QE . . 4.700 4.131 3.961 4.291 . 0 0 "[ . 1 . 2]" 2
922 1 33 TYR QD 1 36 GLN QE . . 3.790 2.774 2.672 2.900 . 0 0 "[ . 1 . 2]" 2
923 1 34 LEU H 1 34 LEU QB . . 3.630 2.551 2.284 2.627 . 0 0 "[ . 1 . 2]" 2
924 1 34 LEU H 1 34 LEU QD . . 3.400 2.929 2.119 3.199 . 0 0 "[ . 1 . 2]" 2
925 1 34 LEU H 1 35 GLY QA . . 4.970 4.499 4.402 4.647 . 0 0 "[ . 1 . 2]" 2
926 1 34 LEU HA 1 34 LEU QD . . 2.940 2.295 2.107 2.758 . 0 0 "[ . 1 . 2]" 2
927 1 34 LEU QB 1 34 LEU QD . . 2.650 1.947 1.908 2.046 . 0 0 "[ . 1 . 2]" 2
928 1 34 LEU QB 1 35 GLY H . . 3.730 2.476 2.361 2.685 . 0 0 "[ . 1 . 2]" 2
929 1 34 LEU QD 1 68 PHE HZ . . 3.700 4.144 3.756 4.319 0.619 13 6 "[ ***. *1 + . -]" 2
930 1 35 GLY QA 1 36 GLN H . . 3.050 2.651 2.641 2.662 . 0 0 "[ . 1 . 2]" 2
931 1 36 GLN H 1 37 TYR QB . . 4.690 4.500 4.453 4.540 . 0 0 "[ . 1 . 2]" 2
932 1 36 GLN QG 1 37 TYR QB . . 4.880 3.473 3.399 3.544 . 0 0 "[ . 1 . 2]" 2
933 1 36 GLN QE 1 40 VAL QG . . 5.270 4.302 4.166 4.428 . 0 0 "[ . 1 . 2]" 2
934 1 37 TYR HA 1 40 VAL QG . . 2.850 2.228 2.056 3.518 0.668 2 2 "[-+ . 1 . 2]" 2
935 1 37 TYR QB 1 38 ILE H . . 3.630 2.386 2.333 2.455 . 0 0 "[ . 1 . 2]" 2
936 1 37 TYR QB 1 38 ILE QG . . 4.680 3.106 3.045 3.204 . 0 0 "[ . 1 . 2]" 2
937 1 37 TYR QD 1 38 ILE QG . . 4.110 2.507 2.350 2.702 . 0 0 "[ . 1 . 2]" 2
938 1 37 TYR QD 1 59 LEU QD . . 4.030 2.517 2.163 2.742 . 0 0 "[ . 1 . 2]" 2
939 1 37 TYR QE 1 41 LYS QD . . 4.650 4.365 3.756 4.555 . 0 0 "[ . 1 . 2]" 2
940 1 37 TYR QE 1 41 LYS QE . . 4.500 3.028 2.642 3.545 . 0 0 "[ . 1 . 2]" 2
941 1 37 TYR QE 1 57 ASP QB . . 4.440 3.611 2.916 4.094 . 0 0 "[ . 1 . 2]" 2
942 1 37 TYR QE 1 59 LEU QB . . 3.650 2.532 2.275 2.764 . 0 0 "[ . 1 . 2]" 2
943 1 38 ILE H 1 38 ILE QG . . 3.870 2.200 2.162 2.246 . 0 0 "[ . 1 . 2]" 2
944 1 38 ILE H 1 59 LEU QD . . 5.440 3.919 3.558 4.252 . 0 0 "[ . 1 . 2]" 2
945 1 38 ILE HA 1 38 ILE QG . . 2.910 2.516 2.480 2.579 . 0 0 "[ . 1 . 2]" 2
946 1 38 ILE HA 1 43 LEU QB . . 4.030 2.920 2.251 3.692 . 0 0 "[ . 1 . 2]" 2
947 1 38 ILE HA 1 43 LEU QD . . 3.240 3.082 2.042 3.340 0.100 9 0 "[ . 1 . 2]" 2
948 1 38 ILE MG 1 41 LYS QB . . 4.120 4.135 4.070 4.161 0.041 16 0 "[ . 1 . 2]" 2
949 1 38 ILE MG 1 43 LEU QB . . 4.380 2.102 2.041 2.150 . 0 0 "[ . 1 . 2]" 2
950 1 38 ILE QG 1 68 PHE HZ . . 3.960 3.515 3.252 3.718 . 0 0 "[ . 1 . 2]" 2
951 1 39 MET QB 1 44 TYR QE . . 4.360 4.283 4.078 4.364 0.004 19 0 "[ . 1 . 2]" 2
952 1 39 MET QB 1 40 VAL QG . . 5.270 3.944 2.985 4.102 . 0 0 "[ . 1 . 2]" 2
953 1 39 MET ME 1 40 VAL QG . . 4.190 4.973 4.594 5.198 1.008 13 17 "[- *******1**+***** *]" 2
954 1 40 VAL H 1 40 VAL QG . . 2.960 2.257 2.228 2.296 . 0 0 "[ . 1 . 2]" 2
955 1 40 VAL H 1 41 LYS QB . . 4.880 4.620 4.467 4.735 . 0 0 "[ . 1 . 2]" 2
956 1 40 VAL HA 1 40 VAL QG . . 2.770 2.233 2.119 2.255 . 0 0 "[ . 1 . 2]" 2
957 1 40 VAL HA 1 42 GLN QE . . 4.740 4.123 3.611 4.476 . 0 0 "[ . 1 . 2]" 2
958 1 40 VAL QG 1 41 LYS HA . . 3.500 3.391 3.355 3.497 . 0 0 "[ . 1 . 2]" 2
959 1 40 VAL QG 1 41 LYS QG . . 2.810 2.395 2.218 3.238 0.428 1 0 "[ . 1 . 2]" 2
960 1 40 VAL QG 1 41 LYS QE . . 5.220 3.242 2.939 3.850 . 0 0 "[ . 1 . 2]" 2
961 1 40 VAL QG 1 42 GLN H . . 3.960 4.176 4.104 4.401 0.441 2 0 "[ . 1 . 2]" 2
962 1 41 LYS H 1 41 LYS QB . . 3.040 2.407 2.310 2.456 . 0 0 "[ . 1 . 2]" 2
963 1 41 LYS H 1 41 LYS QD . . 4.050 3.596 3.516 4.065 0.015 5 0 "[ . 1 . 2]" 2
964 1 41 LYS H 1 41 LYS QE . . 5.340 4.528 4.455 4.647 . 0 0 "[ . 1 . 2]" 2
965 1 41 LYS H 1 43 LEU QD . . 4.340 4.603 3.708 4.777 0.437 3 0 "[ . 1 . 2]" 2
966 1 41 LYS HA 1 41 LYS QD . . 3.510 2.282 2.189 2.832 . 0 0 "[ . 1 . 2]" 2
967 1 41 LYS QB 1 41 LYS QE . . 4.550 3.773 3.575 3.839 . 0 0 "[ . 1 . 2]" 2
968 1 41 LYS QB 1 41 LYS QZ . . 5.100 3.490 3.333 3.973 . 0 0 "[ . 1 . 2]" 2
969 1 41 LYS QB 1 42 GLN H . . 3.790 3.209 3.099 3.347 . 0 0 "[ . 1 . 2]" 2
970 1 41 LYS QE 1 41 LYS QG . . 3.090 2.171 2.067 2.223 . 0 0 "[ . 1 . 2]" 2
971 1 41 LYS QD 1 42 GLN QE . . 4.890 4.478 4.082 4.890 0.000 20 0 "[ . 1 . 2]" 2
972 1 41 LYS QZ 1 58 LEU QB . . 4.580 4.050 3.749 4.307 . 0 0 "[ . 1 . 2]" 2
973 1 41 LYS QZ 1 59 LEU QB . . 4.800 4.789 4.554 4.834 0.034 5 0 "[ . 1 . 2]" 2
974 1 42 GLN H 1 42 GLN QB . . 3.440 2.930 2.849 3.044 . 0 0 "[ . 1 . 2]" 2
975 1 42 GLN H 1 43 LEU QD . . 5.440 4.446 3.443 4.711 . 0 0 "[ . 1 . 2]" 2
976 1 42 GLN HA 1 42 GLN QB . . 2.610 2.115 2.107 2.120 . 0 0 "[ . 1 . 2]" 2
977 1 42 GLN HA 1 42 GLN QE . . 4.850 4.315 3.839 4.684 . 0 0 "[ . 1 . 2]" 2
978 1 42 GLN QB 1 44 TYR H . . 5.130 3.614 3.514 3.838 . 0 0 "[ . 1 . 2]" 2
979 1 42 GLN QB 1 44 TYR QD . . 4.840 4.057 3.944 4.256 . 0 0 "[ . 1 . 2]" 2
980 1 42 GLN QB 1 44 TYR QE . . 4.770 2.993 2.855 3.154 . 0 0 "[ . 1 . 2]" 2
981 1 43 LEU H 1 43 LEU QB . . 3.330 2.578 2.266 2.646 . 0 0 "[ . 1 . 2]" 2
982 1 43 LEU H 1 43 LEU QD . . 4.050 3.354 2.232 3.699 . 0 0 "[ . 1 . 2]" 2
983 1 43 LEU HA 1 43 LEU QD . . 2.700 2.161 2.107 2.197 . 0 0 "[ . 1 . 2]" 2
984 1 43 LEU QB 1 44 TYR H . . 4.260 3.891 3.592 3.972 . 0 0 "[ . 1 . 2]" 2
985 1 43 LEU QB 1 52 VAL QG . . 3.310 2.658 2.106 3.024 . 0 0 "[ . 1 . 2]" 2
986 1 43 LEU QB 1 53 TYR H . . 4.370 3.220 2.734 4.270 . 0 0 "[ . 1 . 2]" 2
987 1 43 LEU QD 1 44 TYR QD . . 5.440 5.309 4.781 5.617 0.177 3 0 "[ . 1 . 2]" 2
988 1 43 LEU QD 1 54 CYS HA . . 4.000 2.245 2.040 3.118 . 0 0 "[ . 1 . 2]" 2
989 1 43 LEU QD 1 54 CYS QB . . 4.530 3.103 2.744 4.053 . 0 0 "[ . 1 . 2]" 2
990 1 43 LEU QD 1 57 ASP H . . 4.970 4.196 3.562 4.941 . 0 0 "[ . 1 . 2]" 2
991 1 43 LEU QD 1 57 ASP QB . . 3.950 2.393 2.062 3.005 . 0 0 "[ . 1 . 2]" 2
992 1 44 TYR H 1 44 TYR QB . . 3.620 3.068 2.740 3.200 . 0 0 "[ . 1 . 2]" 2
993 1 44 TYR HA 1 44 TYR QB . . 2.650 2.143 2.130 2.156 . 0 0 "[ . 1 . 2]" 2
994 1 44 TYR HA 1 52 VAL QG . . 4.090 3.277 3.088 3.477 . 0 0 "[ . 1 . 2]" 2
995 1 44 TYR QB 1 45 ASP H . . 3.850 2.335 2.233 2.511 . 0 0 "[ . 1 . 2]" 2
996 1 44 TYR QB 1 52 VAL HA . . 4.450 2.926 2.815 3.046 . 0 0 "[ . 1 . 2]" 2
997 1 44 TYR QB 1 52 VAL QG . . 3.230 2.834 2.696 2.969 . 0 0 "[ . 1 . 2]" 2
998 1 44 TYR QB 1 53 TYR H . . 4.850 4.184 3.942 4.476 . 0 0 "[ . 1 . 2]" 2
999 1 44 TYR QD 1 49 GLN QG . . 4.090 3.272 2.576 4.102 0.012 4 0 "[ . 1 . 2]" 2
1000 1 44 TYR QD 1 49 GLN QE . . 4.600 2.749 2.282 3.074 . 0 0 "[ . 1 . 2]" 2
1001 1 44 TYR QR 1 52 VAL QG . . 4.660 3.802 3.638 3.952 . 0 0 "[ . 1 . 2]" 2
1002 1 45 ASP H 1 49 GLN QE . . 5.230 4.531 4.358 4.719 . 0 0 "[ . 1 . 2]" 2
1003 1 45 ASP H 1 53 TYR QB . . 4.920 4.619 4.321 4.924 0.004 20 0 "[ . 1 . 2]" 2
1004 1 45 ASP HA 1 46 GLN QE . . 4.310 3.261 2.527 3.820 . 0 0 "[ . 1 . 2]" 2
1005 1 45 ASP QB 1 46 GLN H . . 3.930 3.542 3.282 3.771 . 0 0 "[ . 1 . 2]" 2
1006 1 45 ASP QB 1 46 GLN QE . . 4.410 4.034 3.542 4.420 0.010 10 0 "[ . 1 . 2]" 2
1007 1 45 ASP QB 1 47 GLN H . . 4.990 3.398 3.199 3.715 . 0 0 "[ . 1 . 2]" 2
1008 1 45 ASP QB 1 48 GLU H . . 3.430 2.170 1.981 2.413 . 0 0 "[ . 1 . 2]" 2
1009 1 45 ASP QB 1 48 GLU QB . . 4.320 2.648 2.254 3.858 . 0 0 "[ . 1 . 2]" 2
1010 1 45 ASP QB 1 49 GLN QE . . 3.990 4.029 4.010 4.070 0.080 10 0 "[ . 1 . 2]" 2
1011 1 45 ASP QB 1 51 MET H . . 5.200 3.914 3.633 4.115 . 0 0 "[ . 1 . 2]" 2
1012 1 45 ASP QB 1 51 MET QB . . 4.280 2.606 2.302 2.785 . 0 0 "[ . 1 . 2]" 2
1013 1 45 ASP QB 1 53 TYR QD . . 3.900 2.669 2.343 3.068 . 0 0 "[ . 1 . 2]" 2
1014 1 45 ASP QB 1 53 TYR QE . . 3.750 2.344 2.251 2.672 . 0 0 "[ . 1 . 2]" 2
1015 1 46 GLN H 1 46 GLN QB . . 3.070 2.776 2.559 3.037 . 0 0 "[ . 1 . 2]" 2
1016 1 46 GLN H 1 46 GLN QE . . 4.440 2.234 2.046 3.002 . 0 0 "[ . 1 . 2]" 2
1017 1 46 GLN H 1 47 GLN QE . . 4.970 4.086 3.553 4.859 . 0 0 "[ . 1 . 2]" 2
1018 1 46 GLN HA 1 46 GLN QE . . 4.590 4.391 4.235 4.634 0.044 10 0 "[ . 1 . 2]" 2
1019 1 46 GLN HA 1 49 GLN QE . . 5.040 2.639 2.038 3.215 . 0 0 "[ . 1 . 2]" 2
1020 1 46 GLN QB 1 46 GLN QG . . 2.390 2.018 1.943 2.073 . 0 0 "[ . 1 . 2]" 2
1021 1 46 GLN QB 1 47 GLN H . . 2.940 2.696 2.288 3.079 0.139 20 0 "[ . 1 . 2]" 2
1022 1 46 GLN QB 1 47 GLN HA . . 4.300 3.856 3.669 4.033 . 0 0 "[ . 1 . 2]" 2
1023 1 46 GLN QB 1 47 GLN QE . . 4.090 2.852 1.985 4.140 0.050 14 0 "[ . 1 . 2]" 2
1024 1 46 GLN QB 1 48 GLU H . . 4.730 4.706 4.488 4.795 0.065 12 0 "[ . 1 . 2]" 2
1025 1 46 GLN QB 1 49 GLN QE . . 5.180 3.969 3.611 4.211 . 0 0 "[ . 1 . 2]" 2
1026 1 46 GLN QG 1 47 GLN QE . . 4.280 3.563 2.231 4.215 . 0 0 "[ . 1 . 2]" 2
1027 1 46 GLN QE 1 47 GLN H . . 4.540 2.846 2.333 3.261 . 0 0 "[ . 1 . 2]" 2
1028 1 46 GLN QE 1 47 GLN HA . . 5.310 5.253 4.648 5.396 0.086 20 0 "[ . 1 . 2]" 2
1029 1 46 GLN QE 1 47 GLN QG . . 4.860 3.997 2.490 4.634 . 0 0 "[ . 1 . 2]" 2
1030 1 46 GLN QE 1 47 GLN QE . . 3.750 2.450 2.057 3.603 . 0 0 "[ . 1 . 2]" 2
1031 1 47 GLN H 1 47 GLN QE . . 5.340 2.872 2.353 3.436 . 0 0 "[ . 1 . 2]" 2
1032 1 47 GLN HA 1 47 GLN QG . . 3.070 2.513 2.344 3.110 0.040 7 0 "[ . 1 . 2]" 2
1033 1 47 GLN HA 1 47 GLN QE . . 5.180 3.930 2.680 4.520 . 0 0 "[ . 1 . 2]" 2
1034 1 47 GLN QB 1 47 GLN QG . . 2.310 2.032 1.993 2.121 . 0 0 "[ . 1 . 2]" 2
1035 1 47 GLN QB 1 48 GLU H . . 3.390 2.941 2.782 3.169 . 0 0 "[ . 1 . 2]" 2
1036 1 47 GLN QB 1 48 GLU HA . . 4.650 4.397 4.183 4.515 . 0 0 "[ . 1 . 2]" 2
1037 1 47 GLN QE 1 48 GLU H . . 5.170 4.789 3.989 5.201 0.031 3 0 "[ . 1 . 2]" 2
1038 1 48 GLU H 1 48 GLU QG . . 4.090 3.484 3.076 4.136 0.046 12 0 "[ . 1 . 2]" 2
1039 1 48 GLU QG 1 50 HIS HE1 . . 4.040 2.690 2.522 3.167 . 0 0 "[ . 1 . 2]" 2
1040 1 49 GLN H 1 49 GLN QB . . 3.120 2.251 2.143 2.595 . 0 0 "[ . 1 . 2]" 2
1041 1 49 GLN H 1 49 GLN QG . . 3.340 2.942 1.900 3.353 0.013 7 0 "[ . 1 . 2]" 2
1042 1 49 GLN H 1 49 GLN QE . . 3.760 2.804 2.566 3.307 . 0 0 "[ . 1 . 2]" 2
1043 1 49 GLN HA 1 49 GLN QG . . 3.380 2.561 2.318 3.138 . 0 0 "[ . 1 . 2]" 2
1044 1 50 HIS H 1 50 HIS QB . . 3.560 2.636 2.542 2.851 . 0 0 "[ . 1 . 2]" 2
1045 1 50 HIS H 1 70 VAL QG . . 4.610 4.330 4.057 4.519 . 0 0 "[ . 1 . 2]" 2
1046 1 50 HIS HA 1 50 HIS QB . . 2.530 2.221 2.149 2.394 . 0 0 "[ . 1 . 2]" 2
1047 1 50 HIS HA 1 70 VAL QG . . 3.390 2.242 2.077 2.390 . 0 0 "[ . 1 . 2]" 2
1048 1 50 HIS QB 1 70 VAL QG . . 2.950 2.307 1.881 3.199 0.249 9 0 "[ . 1 . 2]" 2
1049 1 50 HIS QB 1 71 LYS H . . 4.670 3.739 2.857 4.122 . 0 0 "[ . 1 . 2]" 2
1050 1 50 HIS HD2 1 69 SER QB . . 4.400 4.003 3.087 4.510 0.110 12 0 "[ . 1 . 2]" 2
1051 1 50 HIS HD2 1 70 VAL QG . . 4.240 3.859 2.263 4.340 0.100 2 0 "[ . 1 . 2]" 2
1052 1 51 MET H 1 52 VAL QG . . 5.440 4.318 4.196 4.538 . 0 0 "[ . 1 . 2]" 2
1053 1 51 MET H 1 70 VAL QG . . 4.720 4.551 4.402 4.828 0.108 9 0 "[ . 1 . 2]" 2
1054 1 51 MET HA 1 69 SER QB . . 4.150 2.945 2.504 3.409 . 0 0 "[ . 1 . 2]" 2
1055 1 52 VAL H 1 52 VAL QG . . 3.570 2.415 2.359 2.473 . 0 0 "[ . 1 . 2]" 2
1056 1 52 VAL HA 1 52 VAL QG . . 2.900 2.124 2.091 2.149 . 0 0 "[ . 1 . 2]" 2
1057 1 52 VAL HA 1 53 TYR QB . . 4.680 4.166 4.072 4.328 . 0 0 "[ . 1 . 2]" 2
1058 1 52 VAL QG 1 53 TYR H . . 3.380 2.457 2.346 2.649 . 0 0 "[ . 1 . 2]" 2
1059 1 52 VAL QG 1 53 TYR HA . . 5.130 3.801 3.695 3.886 . 0 0 "[ . 1 . 2]" 2
1060 1 52 VAL QG 1 54 CYS H . . 5.140 3.405 2.848 3.945 . 0 0 "[ . 1 . 2]" 2
1061 1 52 VAL QG 1 54 CYS QB . . 4.050 3.744 3.364 3.966 . 0 0 "[ . 1 . 2]" 2
1062 1 52 VAL QG 1 68 PHE QD . . 3.550 3.304 3.201 3.406 . 0 0 "[ . 1 . 2]" 2
1063 1 52 VAL QG 1 68 PHE HZ . . 3.530 2.361 2.242 2.443 . 0 0 "[ . 1 . 2]" 2
1064 1 53 TYR H 1 53 TYR QB . . 3.210 2.526 2.440 2.600 . 0 0 "[ . 1 . 2]" 2
1065 1 53 TYR HA 1 54 CYS QB . . 4.620 4.465 4.388 4.531 . 0 0 "[ . 1 . 2]" 2
1066 1 53 TYR HA 1 66 GLN QE . . 4.820 4.778 4.401 4.868 0.048 9 0 "[ . 1 . 2]" 2
1067 1 53 TYR HA 1 67 SER QB . . 3.960 2.804 2.638 2.987 . 0 0 "[ . 1 . 2]" 2
1068 1 53 TYR QB 1 66 GLN QE . . 4.910 4.478 4.288 4.923 0.013 11 0 "[ . 1 . 2]" 2
1069 1 53 TYR QD 1 67 SER QB . . 3.790 2.459 2.226 2.556 . 0 0 "[ . 1 . 2]" 2
1070 1 53 TYR QE 1 67 SER QB . . 4.550 2.646 2.533 2.831 . 0 0 "[ . 1 . 2]" 2
1071 1 54 CYS H 1 55 GLY QA . . 4.570 4.327 4.141 4.575 0.005 9 0 "[ . 1 . 2]" 2
1072 1 54 CYS HA 1 55 GLY QA . . 4.600 4.435 4.398 4.486 . 0 0 "[ . 1 . 2]" 2
1073 1 54 CYS QB 1 55 GLY QA . . 4.110 4.110 3.940 4.134 0.024 17 0 "[ . 1 . 2]" 2
1074 1 54 CYS QB 1 59 LEU QB . . 4.420 3.126 2.877 3.535 . 0 0 "[ . 1 . 2]" 2
1075 1 54 CYS QB 1 59 LEU HG . . 4.680 3.193 2.969 3.504 . 0 0 "[ . 1 . 2]" 2
1076 1 54 CYS QB 1 59 LEU QD . . 3.960 3.520 3.166 3.661 . 0 0 "[ . 1 . 2]" 2
1077 1 54 CYS QB 1 60 GLY H . . 4.040 2.535 2.398 2.780 . 0 0 "[ . 1 . 2]" 2
1078 1 54 CYS QB 1 66 GLN HA . . 3.300 3.229 2.446 3.317 0.017 6 0 "[ . 1 . 2]" 2
1079 1 55 GLY QA 1 66 GLN QG . . 4.150 3.932 2.256 4.168 0.018 5 0 "[ . 1 . 2]" 2
1080 1 57 ASP QB 1 58 LEU QB . . 5.140 4.357 3.959 4.636 . 0 0 "[ . 1 . 2]" 2
1081 1 57 ASP QB 1 59 LEU H . . 3.880 3.098 2.808 3.303 . 0 0 "[ . 1 . 2]" 2
1082 1 57 ASP QB 1 60 GLY H . . 3.410 2.511 2.033 3.060 . 0 0 "[ . 1 . 2]" 2
1083 1 58 LEU H 1 58 LEU QB . . 3.510 2.119 2.012 2.213 . 0 0 "[ . 1 . 2]" 2
1084 1 58 LEU QB 1 59 LEU H . . 3.750 2.400 2.241 2.662 . 0 0 "[ . 1 . 2]" 2
1085 1 58 LEU QB 1 59 LEU HA . . 3.780 3.869 3.837 3.897 0.117 16 0 "[ . 1 . 2]" 2
1086 1 58 LEU QD 1 61 GLU QG . . 3.890 2.561 2.166 3.798 . 0 0 "[ . 1 . 2]" 2
1087 1 59 LEU H 1 59 LEU QB . . 3.040 2.196 2.176 2.228 . 0 0 "[ . 1 . 2]" 2
1088 1 59 LEU H 1 59 LEU QD . . 5.060 3.739 3.695 3.775 . 0 0 "[ . 1 . 2]" 2
1089 1 59 LEU HA 1 59 LEU QD . . 4.230 2.275 2.207 2.349 . 0 0 "[ . 1 . 2]" 2
1090 1 59 LEU HA 1 62 LEU QB . . 3.780 2.552 2.276 2.839 . 0 0 "[ . 1 . 2]" 2
1091 1 59 LEU HA 1 62 LEU QD . . 3.340 3.235 2.685 3.997 0.657 19 2 "[ - 1 . +2]" 2
1092 1 59 LEU QB 1 60 GLY H . . 4.310 2.774 2.598 2.851 . 0 0 "[ . 1 . 2]" 2
1093 1 59 LEU QD 1 60 GLY H . . 4.140 3.989 3.796 4.054 . 0 0 "[ . 1 . 2]" 2
1094 1 59 LEU QD 1 61 GLU H . . 4.940 5.312 5.211 5.403 0.463 1 0 "[ . 1 . 2]" 2
1095 1 59 LEU QD 1 62 LEU QD . . 3.080 2.693 1.980 3.467 0.387 10 0 "[ . 1 . 2]" 2
1096 1 59 LEU QD 1 63 LEU QD . . 3.080 2.469 2.304 3.059 . 0 0 "[ . 1 . 2]" 2
1097 1 60 GLY QA 1 61 GLU H . . 2.810 2.732 2.684 2.816 0.006 9 0 "[ . 1 . 2]" 2
1098 1 60 GLY QA 1 63 LEU QB . . 3.730 2.406 2.250 2.663 . 0 0 "[ . 1 . 2]" 2
1099 1 60 GLY QA 1 63 LEU QD . . 4.970 2.774 2.303 3.540 . 0 0 "[ . 1 . 2]" 2
1100 1 61 GLU H 1 61 GLU QG . . 3.320 3.345 3.326 3.378 0.058 9 0 "[ . 1 . 2]" 2
1101 1 61 GLU H 1 62 LEU QB . . 4.790 4.332 4.247 4.445 . 0 0 "[ . 1 . 2]" 2
1102 1 61 GLU H 1 62 LEU QD . . 5.330 5.487 5.102 5.636 0.306 14 0 "[ . 1 . 2]" 2
1103 1 61 GLU HA 1 61 GLU QG . . 3.250 3.138 3.062 3.184 . 0 0 "[ . 1 . 2]" 2
1104 1 61 GLU QG 1 62 LEU H . . 4.410 2.561 2.497 2.634 . 0 0 "[ . 1 . 2]" 2
1105 1 61 GLU QG 1 62 LEU HA . . 3.360 3.372 3.359 3.387 0.027 9 0 "[ . 1 . 2]" 2
1106 1 62 LEU H 1 62 LEU QB . . 2.830 2.136 2.057 2.186 . 0 0 "[ . 1 . 2]" 2
1107 1 62 LEU HA 1 62 LEU QB . . 2.630 2.328 2.199 2.385 . 0 0 "[ . 1 . 2]" 2
1108 1 62 LEU QB 1 63 LEU H . . 3.640 2.561 2.231 2.831 . 0 0 "[ . 1 . 2]" 2
1109 1 62 LEU QD 1 63 LEU H . . 4.880 3.382 2.461 4.128 . 0 0 "[ . 1 . 2]" 2
1110 1 62 LEU QD 1 64 GLY H . . 5.440 4.876 4.371 5.248 . 0 0 "[ . 1 . 2]" 2
1111 1 62 LEU QD 1 79 MET QG . . 3.710 2.846 2.133 4.134 0.424 10 0 "[ . 1 . 2]" 2
1112 1 62 LEU QD 1 63 LEU QD . . 2.680 3.810 2.632 4.677 1.997 1 16 "[+* **-* *** *******]" 2
1113 1 63 LEU H 1 63 LEU QB . . 3.000 2.185 2.035 2.379 . 0 0 "[ . 1 . 2]" 2
1114 1 63 LEU H 1 63 LEU QD . . 4.010 3.307 3.140 3.614 . 0 0 "[ . 1 . 2]" 2
1115 1 63 LEU HA 1 63 LEU QD . . 2.990 2.220 2.107 2.426 . 0 0 "[ . 1 . 2]" 2
1116 1 63 LEU QB 1 63 LEU QD . . 2.830 1.920 1.905 1.942 . 0 0 "[ . 1 . 2]" 2
1117 1 63 LEU QB 1 64 GLY H . . 3.800 2.835 2.643 3.046 . 0 0 "[ . 1 . 2]" 2
1118 1 63 LEU QB 1 65 ARG H . . 3.420 2.440 2.259 2.668 . 0 0 "[ . 1 . 2]" 2
1119 1 63 LEU QB 1 66 GLN H . . 5.340 5.341 5.224 5.411 0.071 19 0 "[ . 1 . 2]" 2
1120 1 63 LEU QB 1 68 PHE QD . . 4.360 4.255 4.123 4.360 . 5 0 "[ . 1 . 2]" 2
1121 1 63 LEU QB 1 68 PHE QE . . 4.540 4.520 4.286 4.575 0.035 14 0 "[ . 1 . 2]" 2
1122 1 63 LEU QD 1 64 GLY H . . 5.260 4.244 4.144 4.307 . 0 0 "[ . 1 . 2]" 2
1123 1 63 LEU QD 1 65 ARG H . . 4.650 3.842 3.641 4.099 . 0 0 "[ . 1 . 2]" 2
1124 1 63 LEU QD 1 65 ARG QD . . 3.620 2.566 2.309 2.898 . 0 0 "[ . 1 . 2]" 2
1125 1 63 LEU QD 1 67 SER H . . 5.440 4.576 4.329 4.987 . 0 0 "[ . 1 . 2]" 2
1126 1 63 LEU QD 1 68 PHE QD . . 3.400 2.344 2.228 2.597 . 0 0 "[ . 1 . 2]" 2
1127 1 63 LEU QD 1 68 PHE HZ . . 4.490 3.375 3.052 3.613 . 0 0 "[ . 1 . 2]" 2
1128 1 63 LEU QD 1 76 LEU HA . . 3.410 2.500 2.240 2.857 . 0 0 "[ . 1 . 2]" 2
1129 1 63 LEU QD 1 79 MET H . . 4.560 3.991 3.504 4.478 . 0 0 "[ . 1 . 2]" 2
1130 1 63 LEU QD 1 79 MET QG . . 4.880 3.074 2.133 4.055 . 0 0 "[ . 1 . 2]" 2
1131 1 63 LEU QD 1 79 MET ME . . 4.060 3.168 2.608 3.612 . 0 0 "[ . 1 . 2]" 2
1132 1 64 GLY QA 1 65 ARG HA . . 4.570 4.204 4.143 4.266 . 0 0 "[ . 1 . 2]" 2
1133 1 65 ARG H 1 65 ARG QB . . 3.270 3.194 2.654 3.305 0.035 4 0 "[ . 1 . 2]" 2
1134 1 65 ARG H 1 65 ARG QG . . 4.190 2.881 2.458 4.216 0.026 9 0 "[ . 1 . 2]" 2
1135 1 65 ARG HA 1 65 ARG QG . . 3.540 3.252 2.290 3.539 . 0 0 "[ . 1 . 2]" 2
1136 1 65 ARG QB 1 67 SER H . . 3.270 2.789 2.628 3.305 0.035 5 0 "[ . 1 . 2]" 2
1137 1 65 ARG QB 1 68 PHE QD . . 5.340 5.106 3.820 5.364 0.024 13 0 "[ . 1 . 2]" 2
1138 1 65 ARG QG 1 66 GLN HA . . 5.340 4.756 4.341 4.947 . 0 0 "[ . 1 . 2]" 2
1139 1 65 ARG QG 1 67 SER H . . 4.020 2.995 1.987 3.304 . 0 0 "[ . 1 . 2]" 2
1140 1 65 ARG QD 1 75 PRO QB . . 4.130 2.149 2.014 2.389 . 0 0 "[ . 1 . 2]" 2
1141 1 66 GLN H 1 66 GLN QE . . 5.340 4.850 3.970 5.044 . 0 0 "[ . 1 . 2]" 2
1142 1 66 GLN QE 1 67 SER QB . . 5.180 3.843 2.495 4.772 . 0 0 "[ . 1 . 2]" 2
1143 1 67 SER HA 1 67 SER QB . . 2.510 2.187 2.175 2.199 . 0 0 "[ . 1 . 2]" 2
1144 1 67 SER QB 1 68 PHE H . . 3.250 2.498 2.391 2.614 . 0 0 "[ . 1 . 2]" 2
1145 1 67 SER QB 1 68 PHE HA . . 4.090 4.078 4.032 4.101 0.011 20 0 "[ . 1 . 2]" 2
1146 1 68 PHE HA 1 69 SER QB . . 4.390 4.109 3.980 4.399 0.009 12 0 "[ . 1 . 2]" 2
1147 1 68 PHE QB 1 69 SER H . . 3.280 2.316 2.190 2.439 . 0 0 "[ . 1 . 2]" 2
1148 1 68 PHE QD 1 70 VAL QG . . 4.490 4.577 4.183 4.801 0.311 2 0 "[ . 1 . 2]" 2
1149 1 68 PHE QD 1 75 PRO QG . . 4.580 3.759 3.444 4.561 . 0 0 "[ . 1 . 2]" 2
1150 1 68 PHE QE 1 70 VAL QG . . 3.940 4.048 3.787 4.225 0.285 2 0 "[ . 1 . 2]" 2
1151 1 68 PHE QE 1 76 LEU QD . . 3.650 2.863 2.270 3.498 . 0 0 "[ . 1 . 2]" 2
1152 1 69 SER H 1 69 SER QB . . 3.270 2.714 2.481 3.114 . 0 0 "[ . 1 . 2]" 2
1153 1 69 SER H 1 70 VAL QG . . 5.440 5.273 5.027 5.494 0.054 1 0 "[ . 1 . 2]" 2
1154 1 69 SER QB 1 71 LYS H . . 4.870 2.830 2.304 3.013 . 0 0 "[ . 1 . 2]" 2
1155 1 69 SER QB 1 72 ASP H . . 4.420 2.972 2.426 3.805 . 0 0 "[ . 1 . 2]" 2
1156 1 69 SER QB 1 72 ASP QB . . 4.580 2.838 2.178 4.278 . 0 0 "[ . 1 . 2]" 2
1157 1 70 VAL H 1 70 VAL QG . . 3.520 2.083 1.849 2.380 . 0 0 "[ . 1 . 2]" 2
1158 1 70 VAL HA 1 70 VAL QG . . 2.980 2.324 2.176 2.513 . 0 0 "[ . 1 . 2]" 2
1159 1 70 VAL QG 1 71 LYS H . . 4.000 2.981 2.495 3.441 . 0 0 "[ . 1 . 2]" 2
1160 1 71 LYS H 1 71 LYS QB . . 3.360 2.441 2.343 2.670 . 0 0 "[ . 1 . 2]" 2
1161 1 71 LYS H 1 71 LYS QG . . 4.170 2.455 2.176 2.782 . 0 0 "[ . 1 . 2]" 2
1162 1 71 LYS H 1 73 PRO QD . . 4.990 4.523 4.105 4.990 . 0 0 "[ . 1 . 2]" 2
1163 1 71 LYS HA 1 71 LYS QG . . 3.210 2.542 2.304 3.154 . 0 0 "[ . 1 . 2]" 2
1164 1 71 LYS QB 1 72 ASP H . . 4.210 3.240 2.660 3.541 . 0 0 "[ . 1 . 2]" 2
1165 1 71 LYS QE 1 71 LYS QG . . 3.400 2.238 2.076 2.656 . 0 0 "[ . 1 . 2]" 2
1166 1 71 LYS QG 1 72 ASP H . . 5.340 4.325 3.902 4.518 . 0 0 "[ . 1 . 2]" 2
1167 1 72 ASP H 1 72 ASP QB . . 3.300 2.650 2.402 2.788 . 0 0 "[ . 1 . 2]" 2
1168 1 72 ASP H 1 73 PRO QD . . 4.210 2.956 2.565 3.495 . 0 0 "[ . 1 . 2]" 2
1169 1 72 ASP HA 1 72 ASP QB . . 2.630 2.361 2.336 2.401 . 0 0 "[ . 1 . 2]" 2
1170 1 72 ASP HA 1 73 PRO QG . . 4.580 4.114 4.029 4.245 . 0 0 "[ . 1 . 2]" 2
1171 1 72 ASP HA 1 73 PRO QD . . 2.780 2.193 2.119 2.326 . 0 0 "[ . 1 . 2]" 2
1172 1 73 PRO QG 1 74 SER H . . 3.980 2.965 2.726 3.161 . 0 0 "[ . 1 . 2]" 2
1173 1 73 PRO QG 1 74 SER HA . . 4.850 3.794 3.635 3.986 . 0 0 "[ . 1 . 2]" 2
1174 1 73 PRO QG 1 77 TYR QE . . 3.690 3.051 2.266 3.698 0.008 19 0 "[ . 1 . 2]" 2
1175 1 73 PRO QD 1 74 SER H . . 3.260 2.840 2.732 2.945 . 0 0 "[ . 1 . 2]" 2
1176 1 74 SER HA 1 77 TYR QB . . 3.620 2.982 2.335 3.632 0.012 11 0 "[ . 1 . 2]" 2
1177 1 75 PRO HA 1 78 ASP QB . . 3.300 2.450 2.202 2.815 . 0 0 "[ . 1 . 2]" 2
1178 1 75 PRO QB 1 76 LEU H . . 3.790 3.465 2.673 3.633 . 0 0 "[ . 1 . 2]" 2
1179 1 75 PRO QG 1 76 LEU H . . 3.820 2.860 2.625 3.878 0.058 10 0 "[ . 1 . 2]" 2
1180 1 75 PRO QG 1 77 TYR H . . 5.350 5.168 4.978 5.460 0.110 13 0 "[ . 1 . 2]" 2
1181 1 76 LEU H 1 77 TYR QB . . 5.230 4.501 4.374 4.730 . 0 0 "[ . 1 . 2]" 2
1182 1 76 LEU HA 1 76 LEU QD . . 3.740 2.733 2.178 3.332 . 0 0 "[ . 1 . 2]" 2
1183 1 76 LEU QB 1 77 TYR H . . 3.420 2.739 2.210 3.449 0.029 10 0 "[ . 1 . 2]" 2
1184 1 76 LEU QB 1 77 TYR QD . . 4.750 3.249 2.286 4.573 . 0 0 "[ . 1 . 2]" 2
1185 1 76 LEU QB 1 77 TYR QE . . 4.870 4.168 3.425 4.921 0.051 10 0 "[ . 1 . 2]" 2
1186 1 76 LEU QD 1 77 TYR H . . 4.920 3.425 2.804 3.891 . 0 0 "[ . 1 . 2]" 2
1187 1 76 LEU QD 1 77 TYR QD . . 3.860 3.201 2.007 3.562 . 0 0 "[ . 1 . 2]" 2
1188 1 76 LEU QD 1 77 TYR QE . . 4.390 3.034 2.434 3.504 . 0 0 "[ . 1 . 2]" 2
1189 1 76 LEU QD 1 79 MET ME . . 3.150 2.479 2.020 2.906 . 0 0 "[ . 1 . 2]" 2
1190 1 77 TYR H 1 77 TYR QB . . 3.020 2.342 2.251 2.486 . 0 0 "[ . 1 . 2]" 2
1191 1 77 TYR HA 1 80 LEU QB . . 4.500 2.601 2.350 2.804 . 0 0 "[ . 1 . 2]" 2
1192 1 77 TYR QB 1 78 ASP H . . 3.490 2.778 2.457 2.990 . 0 0 "[ . 1 . 2]" 2
1193 1 77 TYR QD 1 80 LEU QD . . 3.790 3.591 2.721 4.004 0.214 15 0 "[ . 1 . 2]" 2
1194 1 78 ASP H 1 80 LEU QD . . 5.200 5.336 5.032 5.615 0.415 10 0 "[ . 1 . 2]" 2
1195 1 78 ASP HA 1 81 ARG QG . . 4.910 2.330 2.042 2.502 . 0 0 "[ . 1 . 2]" 2
1196 1 78 ASP QB 1 79 MET H . . 3.130 2.521 2.366 2.621 . 0 0 "[ . 1 . 2]" 2
1197 1 78 ASP QB 1 81 ARG QG . . 4.230 4.206 3.865 4.289 0.059 17 0 "[ . 1 . 2]" 2
1198 1 79 MET H 1 79 MET QG . . 3.210 2.748 2.310 3.178 . 0 0 "[ . 1 . 2]" 2
1199 1 79 MET HA 1 82 LYS QE . . 4.210 2.982 1.831 3.583 . 0 0 "[ . 1 . 2]" 2
1200 1 79 MET QB 1 82 LYS QE . . 4.720 3.632 2.958 4.357 . 0 0 "[ . 1 . 2]" 2
1201 1 79 MET QG 1 80 LEU H . . 4.720 2.885 2.467 3.323 . 0 0 "[ . 1 . 2]" 2
1202 1 79 MET QG 1 80 LEU QD . . 3.820 3.269 2.536 4.087 0.267 8 0 "[ . 1 . 2]" 2
1203 1 79 MET QG 1 82 LYS QE . . 4.760 4.747 4.542 4.867 0.107 9 0 "[ . 1 . 2]" 2
1204 1 80 LEU H 1 80 LEU QB . . 3.340 2.411 2.303 2.553 . 0 0 "[ . 1 . 2]" 2
1205 1 80 LEU HA 1 80 LEU QD . . 2.880 2.167 2.121 2.241 . 0 0 "[ . 1 . 2]" 2
1206 1 80 LEU HA 1 83 ASN QB . . 3.840 2.896 2.371 3.300 . 0 0 "[ . 1 . 2]" 2
1207 1 80 LEU HA 1 84 LEU QD . . 4.110 3.460 2.310 4.432 0.322 15 0 "[ . 1 . 2]" 2
1208 1 80 LEU QB 1 81 ARG H . . 3.870 2.607 2.393 2.748 . 0 0 "[ . 1 . 2]" 2
1209 1 80 LEU QB 1 81 ARG HA . . 4.650 3.734 3.562 3.914 . 0 0 "[ . 1 . 2]" 2
1210 1 80 LEU QB 1 84 LEU H . . 5.260 3.915 3.775 4.170 . 0 0 "[ . 1 . 2]" 2
1211 1 80 LEU QB 1 84 LEU HG . . 4.060 3.572 3.103 3.946 . 0 0 "[ . 1 . 2]" 2
1212 1 80 LEU QB 1 84 LEU QD . . 3.240 2.695 2.126 3.587 0.347 16 0 "[ . 1 . 2]" 2
1213 1 80 LEU QD 1 81 ARG H . . 5.440 4.177 4.055 4.255 . 0 0 "[ . 1 . 2]" 2
1214 1 80 LEU QD 1 84 LEU HG . . 3.150 3.582 2.448 3.933 0.783 7 14 "[*** **+ *1** *. *-**]" 2
1215 1 80 LEU QD 1 84 LEU QD . . 3.000 2.093 1.929 3.013 0.013 16 0 "[ . 1 . 2]" 2
1216 1 81 ARG H 1 81 ARG QG . . 3.450 2.487 2.231 2.765 . 0 0 "[ . 1 . 2]" 2
1217 1 81 ARG H 1 82 LYS QG . . 4.460 4.473 4.339 4.515 0.055 8 0 "[ . 1 . 2]" 2
1218 1 81 ARG QG 1 82 LYS H . . 4.610 3.317 2.448 4.337 . 0 0 "[ . 1 . 2]" 2
1219 1 82 LYS H 1 82 LYS QB . . 3.010 2.993 2.844 3.060 0.050 17 0 "[ . 1 . 2]" 2
1220 1 82 LYS H 1 82 LYS QG . . 3.680 2.204 2.049 2.304 . 0 0 "[ . 1 . 2]" 2
1221 1 82 LYS H 1 82 LYS QE . . 4.940 3.534 3.401 3.676 . 0 0 "[ . 1 . 2]" 2
1222 1 82 LYS H 1 83 ASN QB . . 4.410 4.262 3.995 4.412 0.002 13 0 "[ . 1 . 2]" 2
1223 1 82 LYS H 1 84 LEU QD . . 5.440 6.135 5.280 6.489 1.049 10 14 "[*** . *+** **-****]" 2
1224 1 82 LYS HA 1 82 LYS QB . . 2.340 2.111 2.096 2.143 . 0 0 "[ . 1 . 2]" 2
1225 1 82 LYS QB 1 83 ASN QB . . 4.820 4.737 4.522 4.865 0.045 20 0 "[ . 1 . 2]" 2
1226 1 82 LYS QE 1 82 LYS QG . . 3.300 2.908 2.437 3.037 . 0 0 "[ . 1 . 2]" 2
1227 1 82 LYS QE 1 83 ASN H . . 4.840 3.138 2.813 3.720 . 0 0 "[ . 1 . 2]" 2
1228 1 82 LYS QE 1 83 ASN QD . . 5.000 3.082 2.260 4.427 . 0 0 "[ . 1 . 2]" 2
1229 1 82 LYS QE 1 84 LEU H . . 4.700 4.769 4.723 4.875 0.175 10 0 "[ . 1 . 2]" 2
1230 1 83 ASN H 1 83 ASN QB . . 3.200 2.410 2.316 2.513 . 0 0 "[ . 1 . 2]" 2
1231 1 83 ASN H 1 84 LEU QD . . 4.710 4.789 3.649 5.339 0.629 20 10 "[*** . ** -. ***+]" 2
1232 1 83 ASN HA 1 83 ASN QD . . 2.600 2.273 1.844 2.565 . 0 0 "[ . 1 . 2]" 2
1233 1 83 ASN QB 1 84 LEU H . . 3.200 2.662 2.416 3.053 . 0 0 "[ . 1 . 2]" 2
1234 1 83 ASN QB 1 84 LEU QD . . 3.340 3.794 2.293 4.497 1.157 10 14 "[*** . *+** *-*****]" 2
1235 1 84 LEU H 1 84 LEU QB . . 3.090 2.503 2.099 3.167 0.077 4 0 "[ . 1 . 2]" 2
1236 1 84 LEU H 1 84 LEU QD . . 4.000 3.384 2.131 3.948 . 0 0 "[ . 1 . 2]" 2
1237 1 84 LEU HA 1 84 LEU QD . . 3.740 2.560 2.103 3.464 . 0 0 "[ . 1 . 2]" 2
1238 1 84 LEU HA 1 85 VAL QG . . 4.670 3.680 3.466 3.884 . 0 0 "[ . 1 . 2]" 2
1239 1 84 LEU QB 1 84 LEU QD . . 2.610 1.974 1.905 2.087 . 0 0 "[ . 1 . 2]" 2
1240 1 84 LEU QB 1 85 VAL H . . 3.760 3.499 2.641 3.847 0.087 20 0 "[ . 1 . 2]" 2
1241 1 84 LEU QD 1 85 VAL H . . 4.470 2.817 2.173 4.308 . 0 0 "[ . 1 . 2]" 2
1242 1 84 LEU QD 1 86 THR H . . 4.150 3.946 2.203 4.846 0.696 9 5 "[- * . +1 **. 2]" 2
1243 1 84 LEU QD 1 86 THR HB . . 4.350 2.987 2.030 4.160 . 0 0 "[ . 1 . 2]" 2
1244 1 84 LEU QD 1 86 THR MG . . 3.650 3.725 2.438 4.545 0.895 13 4 "[* . 1 +-. * 2]" 2
1245 1 85 VAL H 1 85 VAL QG . . 3.150 2.592 2.158 2.952 . 0 0 "[ . 1 . 2]" 2
1246 1 85 VAL HA 1 85 VAL QG . . 2.570 2.160 2.128 2.256 . 0 0 "[ . 1 . 2]" 2
1247 1 85 VAL QG 1 86 THR H . . 4.590 2.836 2.315 3.559 . 0 0 "[ . 1 . 2]" 2
1248 1 87 LEU H 1 87 LEU QD . . 3.880 3.437 2.342 3.757 . 0 0 "[ . 1 . 2]" 2
1249 1 87 LEU HA 1 87 LEU QD . . 2.720 2.260 2.021 3.129 0.409 1 0 "[ . 1 . 2]" 2
1250 1 87 LEU QD 1 88 ALA H . . 4.540 4.034 3.390 4.391 . 0 0 "[ . 1 . 2]" 2
1251 1 87 LEU QD 1 88 ALA MB . . 4.220 4.722 3.880 5.173 0.953 19 12 "[ ** **** * -* * * +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 38
_Distance_constraint_stats_list.Viol_count 740
_Distance_constraint_stats_list.Viol_total 2600.456
_Distance_constraint_stats_list.Viol_max 0.317
_Distance_constraint_stats_list.Viol_rms 0.0795
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1711
_Distance_constraint_stats_list.Viol_average_violations_only 0.1757
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 LEU 5.217 0.299 4 0 "[ . 1 . 2]"
1 13 LYS 4.817 0.183 2 0 "[ . 1 . 2]"
1 16 HIS 13.411 0.299 4 0 "[ . 1 . 2]"
1 17 ALA 4.817 0.183 2 0 "[ . 1 . 2]"
1 19 GLY 8.194 0.253 11 0 "[ . 1 . 2]"
1 26 THR 3.108 0.222 11 0 "[ . 1 . 2]"
1 27 VAL 10.578 0.317 10 0 "[ . 1 . 2]"
1 30 VAL 3.108 0.222 11 0 "[ . 1 . 2]"
1 31 MET 10.578 0.317 10 0 "[ . 1 . 2]"
1 33 TYR 5.248 0.194 4 0 "[ . 1 . 2]"
1 34 LEU 5.605 0.253 6 0 "[ . 1 . 2]"
1 35 GLY 9.756 0.302 7 0 "[ . 1 . 2]"
1 36 GLN 7.087 0.272 13 0 "[ . 1 . 2]"
1 37 TYR 7.536 0.194 4 0 "[ . 1 . 2]"
1 38 ILE 11.035 0.281 11 0 "[ . 1 . 2]"
1 39 MET 9.756 0.302 7 0 "[ . 1 . 2]"
1 40 VAL 7.087 0.272 13 0 "[ . 1 . 2]"
1 41 LYS 2.288 0.130 17 0 "[ . 1 . 2]"
1 42 GLN 5.430 0.281 11 0 "[ . 1 . 2]"
1 48 GLU 7.913 0.304 9 0 "[ . 1 . 2]"
1 51 MET 7.913 0.304 9 0 "[ . 1 . 2]"
1 54 CYS 9.625 0.307 20 0 "[ . 1 . 2]"
1 57 ASP 18.732 0.316 7 0 "[ . 1 . 2]"
1 58 LEU 6.774 0.271 15 0 "[ . 1 . 2]"
1 59 LEU 8.756 0.301 5 0 "[ . 1 . 2]"
1 60 GLY 7.698 0.266 15 0 "[ . 1 . 2]"
1 61 GLU 9.107 0.316 7 0 "[ . 1 . 2]"
1 62 LEU 6.774 0.271 15 0 "[ . 1 . 2]"
1 63 LEU 8.756 0.301 5 0 "[ . 1 . 2]"
1 64 GLY 7.698 0.266 15 0 "[ . 1 . 2]"
1 77 TYR 5.347 0.285 9 0 "[ . 1 . 2]"
1 80 LEU 7.476 0.238 3 0 "[ . 1 . 2]"
1 81 ARG 5.347 0.285 9 0 "[ . 1 . 2]"
1 83 ASN 7.476 0.238 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 LEU O 1 16 HIS H . . 1.800 1.884 1.827 2.004 0.204 4 0 "[ . 1 . 2]" 3
2 1 12 LEU O 1 16 HIS N . . 2.700 2.877 2.809 2.999 0.299 4 0 "[ . 1 . 2]" 3
3 1 13 LYS O 1 17 ALA H . . 1.800 1.894 1.842 1.938 0.138 2 0 "[ . 1 . 2]" 3
4 1 13 LYS O 1 17 ALA N . . 2.700 2.847 2.810 2.883 0.183 2 0 "[ . 1 . 2]" 3
5 1 16 HIS O 1 19 GLY H . . 1.800 2.049 2.043 2.053 0.253 11 0 "[ . 1 . 2]" 3
6 1 16 HIS O 1 19 GLY N . . 2.700 2.861 2.837 2.878 0.178 10 0 "[ . 1 . 2]" 3
7 1 26 THR O 1 30 VAL H . . 1.800 1.822 1.794 1.916 0.116 11 0 "[ . 1 . 2]" 3
8 1 26 THR O 1 30 VAL N . . 2.700 2.833 2.800 2.922 0.222 11 0 "[ . 1 . 2]" 3
9 1 27 VAL O 1 31 MET H . . 1.800 2.020 2.014 2.029 0.229 8 0 "[ . 1 . 2]" 3
10 1 27 VAL O 1 31 MET N . . 2.700 3.009 3.002 3.017 0.317 10 0 "[ . 1 . 2]" 3
11 1 33 TYR O 1 37 TYR H . . 1.800 1.920 1.873 1.974 0.174 4 0 "[ . 1 . 2]" 3
12 1 33 TYR O 1 37 TYR N . . 2.700 2.842 2.799 2.894 0.194 4 0 "[ . 1 . 2]" 3
13 1 34 LEU O 1 38 ILE H . . 1.800 1.885 1.831 1.943 0.143 6 0 "[ . 1 . 2]" 3
14 1 34 LEU O 1 38 ILE N . . 2.700 2.896 2.843 2.953 0.253 6 0 "[ . 1 . 2]" 3
15 1 35 GLY O 1 39 MET H . . 1.800 2.002 1.971 2.013 0.213 14 0 "[ . 1 . 2]" 3
16 1 35 GLY O 1 39 MET N . . 2.700 2.986 2.947 3.002 0.302 7 0 "[ . 1 . 2]" 3
17 1 36 GLN O 1 40 VAL H . . 1.800 1.934 1.879 2.002 0.202 1 0 "[ . 1 . 2]" 3
18 1 36 GLN O 1 40 VAL N . . 2.700 2.920 2.862 2.972 0.272 13 0 "[ . 1 . 2]" 3
19 1 38 ILE O 1 42 GLN H . . 1.800 2.063 2.049 2.081 0.281 11 0 "[ . 1 . 2]" 3
20 1 38 ILE O 1 42 GLN N . . 2.700 2.703 2.667 2.725 0.025 16 0 "[ . 1 . 2]" 3
21 1 37 TYR O 1 41 LYS H . . 1.800 1.808 1.786 1.844 0.044 4 0 "[ . 1 . 2]" 3
22 1 37 TYR O 1 41 LYS N . . 2.700 2.803 2.783 2.830 0.130 17 0 "[ . 1 . 2]" 3
23 1 48 GLU O 1 51 MET H . . 1.800 1.966 1.899 2.012 0.212 12 0 "[ . 1 . 2]" 3
24 1 48 GLU O 1 51 MET N . . 2.700 2.930 2.864 3.004 0.304 9 0 "[ . 1 . 2]" 3
25 1 54 CYS O 1 57 ASP H . . 1.800 1.999 1.925 2.017 0.217 17 0 "[ . 1 . 2]" 3
26 1 54 CYS O 1 57 ASP N . . 2.700 2.983 2.904 3.007 0.307 20 0 "[ . 1 . 2]" 3
27 1 57 ASP O 1 61 GLU H . . 1.800 1.993 1.922 2.023 0.223 9 0 "[ . 1 . 2]" 3
28 1 57 ASP O 1 61 GLU N . . 2.700 2.962 2.898 3.016 0.316 7 0 "[ . 1 . 2]" 3
29 1 58 LEU O 1 62 LEU H . . 1.800 1.927 1.853 2.000 0.200 9 0 "[ . 1 . 2]" 3
30 1 58 LEU O 1 62 LEU N . . 2.700 2.912 2.841 2.971 0.271 15 0 "[ . 1 . 2]" 3
31 1 59 LEU O 1 63 LEU H . . 1.800 1.986 1.897 2.028 0.228 3 0 "[ . 1 . 2]" 3
32 1 59 LEU O 1 63 LEU N . . 2.700 2.952 2.837 3.001 0.301 5 0 "[ . 1 . 2]" 3
33 1 60 GLY O 1 64 GLY H . . 1.800 2.009 1.916 2.022 0.222 19 0 "[ . 1 . 2]" 3
34 1 60 GLY O 1 64 GLY N . . 2.700 2.876 2.808 2.966 0.266 15 0 "[ . 1 . 2]" 3
35 1 77 TYR O 1 81 ARG H . . 1.800 1.890 1.797 1.991 0.191 9 0 "[ . 1 . 2]" 3
36 1 77 TYR O 1 81 ARG N . . 2.700 2.877 2.806 2.985 0.285 9 0 "[ . 1 . 2]" 3
37 1 80 LEU O 1 83 ASN H . . 1.800 1.986 1.893 2.033 0.233 13 0 "[ . 1 . 2]" 3
38 1 80 LEU O 1 83 ASN N . . 2.700 2.888 2.826 2.938 0.238 3 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 227.452
_Distance_constraint_stats_list.Viol_max 0.394
_Distance_constraint_stats_list.Viol_rms 0.0624
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2843
_Distance_constraint_stats_list.Viol_average_violations_only 0.2843
_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 76 LEU 11.373 0.394 3 0 "[ . 1 . 2]"
1 80 LEU 11.373 0.394 3 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 76 LEU O 1 80 LEU H . . 1.800 2.136 2.052 2.194 0.394 3 0 "[ . 1 . 2]" 4
2 1 76 LEU O 1 80 LEU N . . 2.700 2.933 2.838 2.983 0.283 3 0 "[ . 1 . 2]" 4
stop_
save_
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