NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517352 |
2le4   |
17691 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2le4
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 1038
_Distance_constraint_stats_list.Viol_count 792
_Distance_constraint_stats_list.Viol_total 3063.494
_Distance_constraint_stats_list.Viol_max 1.805
_Distance_constraint_stats_list.Viol_rms 0.0614
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.1934
_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 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ARG 0.024 0.024 16 0 "[ . 1 . 2]"
1 4 VAL 0.913 0.138 6 0 "[ . 1 . 2]"
1 5 LYS 0.889 0.138 6 0 "[ . 1 . 2]"
1 6 ARG 0.691 0.651 8 1 "[ . + 1 . 2]"
1 7 PRO 0.830 0.499 14 0 "[ . 1 . 2]"
1 8 MET 0.591 0.272 6 0 "[ . 1 . 2]"
1 9 ASN 2.975 0.391 7 0 "[ . 1 . 2]"
1 10 ALA 14.256 1.805 6 2 "[ .+* 1 . 2]"
1 11 PHE 2.495 0.622 6 1 "[ .+ 1 . 2]"
1 12 MET 0.555 0.113 11 0 "[ . 1 . 2]"
1 13 VAL 6.501 0.294 17 0 "[ . 1 . 2]"
1 14 TRP 4.442 0.526 16 1 "[ . 1 .+ 2]"
1 15 SER 0.164 0.076 8 0 "[ . 1 . 2]"
1 16 ARG 3.417 0.306 5 0 "[ . 1 . 2]"
1 17 GLY 0.188 0.084 2 0 "[ . 1 . 2]"
1 18 GLN 2.493 0.641 8 2 "[- . + 1 . 2]"
1 19 ARG 3.677 1.078 17 3 "[* . * 1 . + 2]"
1 20 ARG 0.131 0.054 6 0 "[ . 1 . 2]"
1 21 LYS 0.161 0.054 6 0 "[ . 1 . 2]"
1 22 MET 43.900 1.085 10 15 "[ -*** * *+ * *******]"
1 23 ALA 18.049 1.075 14 11 "[ ** -** ** *+.* * 2]"
1 24 GLN 0.483 0.483 18 0 "[ . 1 . 2]"
1 25 GLU 0.993 0.111 18 0 "[ . 1 . 2]"
1 26 ASN 1.469 0.459 19 0 "[ . 1 . 2]"
1 27 PRO 0.733 0.114 15 0 "[ . 1 . 2]"
1 28 LYS 7.516 0.944 14 6 "[** . - +* * 2]"
1 29 MET 14.332 1.075 14 9 "[** .* ** -+* * 2]"
1 30 HIS 0.789 0.154 7 0 "[ . 1 . 2]"
1 31 ASN 0.671 0.154 7 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 1.993 0.171 20 0 "[ . 1 . 2]"
1 34 ILE 24.318 1.058 12 12 "[****- * * + *** * 2]"
1 35 SER 1.701 0.171 20 0 "[ . 1 . 2]"
1 36 LYS 2.432 0.585 14 1 "[ . 1 +. 2]"
1 37 ARG 15.244 1.071 10 12 "[***** * *+ -.* **]"
1 38 LEU 20.148 1.085 10 12 "[ -*** * *+ *.* ***]"
1 39 GLY 2.853 0.183 2 0 "[ . 1 . 2]"
1 40 ALA 0.012 0.005 17 0 "[ . 1 . 2]"
1 41 GLU 1.680 0.183 2 0 "[ . 1 . 2]"
1 42 TRP 5.137 0.334 10 0 "[ . 1 . 2]"
1 43 LYS 2.817 0.253 2 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.757 0.143 1 0 "[ . 1 . 2]"
1 46 SER 0.219 0.098 9 0 "[ . 1 . 2]"
1 47 GLU 2.916 0.310 19 0 "[ . 1 . 2]"
1 48 THR 1.614 0.652 7 1 "[ . + 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 4.563 0.652 7 1 "[ . + 1 . 2]"
1 51 ARG 2.422 0.412 14 0 "[ . 1 . 2]"
1 52 PRO 4.520 0.299 20 0 "[ . 1 . 2]"
1 53 PHE 3.389 0.238 4 0 "[ . 1 . 2]"
1 54 ILE 20.751 1.805 6 2 "[ .+* 1 . 2]"
1 55 ASP 0.412 0.412 14 0 "[ . 1 . 2]"
1 56 GLU 1.735 0.340 19 0 "[ . 1 . 2]"
1 57 ALA 1.514 0.391 7 0 "[ . 1 . 2]"
1 58 LYS 0.058 0.049 12 0 "[ . 1 . 2]"
1 59 ARG 2.204 0.379 5 0 "[ . 1 . 2]"
1 60 LEU 0.919 0.499 14 0 "[ . 1 . 2]"
1 61 ARG 0.027 0.027 2 0 "[ . 1 . 2]"
1 62 ALA 0.085 0.050 6 0 "[ . 1 . 2]"
1 63 LEU 9.184 0.310 16 0 "[ . 1 . 2]"
1 64 HIS 5.590 0.310 16 0 "[ . 1 . 2]"
1 65 MET 0.136 0.050 5 0 "[ . 1 . 2]"
1 66 LYS 1.390 0.138 10 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 HIS 1.112 0.566 20 1 "[ . 1 . +]"
1 69 PRO 0.086 0.086 5 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 3.186 0.566 20 1 "[ . 1 . +]"
1 72 LYS 3.238 0.691 10 1 "[ . + . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 1.923 0.239 1 0 "[ . 1 . 2]"
1 75 PRO 2.040 0.803 8 2 "[ . + - . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 2.040 0.803 8 2 "[ . + - . 2]"
1 78 LYS 0.155 0.155 3 0 "[ . 1 . 2]"
1 79 THR 0.300 0.155 3 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.146 0.075 16 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 4 VAL H 1 5 LYS H . . 5.210 4.455 3.716 4.626 . 0 0 "[ . 1 . 2]" 1
2 1 31 ASN H 1 33 GLU H . . 6.000 3.732 2.809 4.833 . 0 0 "[ . 1 . 2]" 1
3 1 79 THR HB 1 80 LYS H . . 6.000 3.370 2.009 4.443 . 0 0 "[ . 1 . 2]" 1
4 1 40 ALA H 1 41 GLU H . . 4.700 2.596 2.529 2.717 . 0 0 "[ . 1 . 2]" 1
5 1 5 LYS H 1 6 ARG H . . 4.700 4.250 3.701 4.538 . 0 0 "[ . 1 . 2]" 1
6 1 51 ARG H 1 54 ILE H . . 6.000 5.215 4.975 5.456 . 0 0 "[ . 1 . 2]" 1
7 1 53 PHE H 1 54 ILE H . . 4.880 2.595 2.533 2.658 . 0 0 "[ . 1 . 2]" 1
8 1 53 PHE HB2 1 54 ILE H . . 6.000 2.754 2.641 3.239 . 0 0 "[ . 1 . 2]" 1
9 1 53 PHE HB3 1 54 ILE H . . 6.000 3.556 3.242 3.917 . 0 0 "[ . 1 . 2]" 1
10 1 59 ARG H 1 62 ALA H . . 5.600 4.701 4.429 4.911 . 0 0 "[ . 1 . 2]" 1
11 1 53 PHE H 1 56 GLU H . . 6.000 4.848 4.620 5.141 . 0 0 "[ . 1 . 2]" 1
12 1 36 LYS H 1 37 ARG H . . 5.030 2.516 2.391 2.628 . 0 0 "[ . 1 . 2]" 1
13 1 35 SER HB3 1 36 LYS H . . 4.670 3.876 2.801 4.296 . 0 0 "[ . 1 . 2]" 1
14 1 14 TRP H 1 16 ARG H . . 6.000 4.566 4.313 4.729 . 0 0 "[ . 1 . 2]" 1
15 1 12 MET HA 1 16 ARG H . . 6.000 4.160 3.865 4.630 . 0 0 "[ . 1 . 2]" 1
16 1 10 ALA H 1 12 MET H . . 6.000 4.912 4.698 5.149 . 0 0 "[ . 1 . 2]" 1
17 1 10 ALA H 1 13 VAL HB . . 6.000 4.676 4.328 6.287 0.287 11 0 "[ . 1 . 2]" 1
18 1 3 ARG H 1 4 VAL H . . 4.600 4.452 4.208 4.624 0.024 16 0 "[ . 1 . 2]" 1
19 1 49 GLU H 1 50 LYS H . . 4.920 2.367 2.227 2.567 . 0 0 "[ . 1 . 2]" 1
20 1 14 TRP H 1 15 SER H . . 4.920 2.587 2.530 2.667 . 0 0 "[ . 1 . 2]" 1
21 1 11 PHE H 1 12 MET H . . 4.490 2.849 2.760 2.900 . 0 0 "[ . 1 . 2]" 1
22 1 9 ASN H 1 12 MET H . . 5.860 4.748 4.437 5.043 . 0 0 "[ . 1 . 2]" 1
23 1 56 GLU HB2 1 57 ALA H . . 5.570 3.021 2.508 3.939 . 0 0 "[ . 1 . 2]" 1
24 1 70 ASP H 1 71 TYR H . . 4.700 2.529 1.876 2.917 . 0 0 "[ . 1 . 2]" 1
25 1 33 GLU H 1 34 ILE H . . 4.780 2.604 2.414 2.807 . 0 0 "[ . 1 . 2]" 1
26 1 31 ASN HA 1 34 ILE H . . 6.000 3.804 3.156 4.858 . 0 0 "[ . 1 . 2]" 1
27 1 30 HIS H 1 34 ILE H . . 6.000 4.438 3.607 4.958 . 0 0 "[ . 1 . 2]" 1
28 1 29 MET H 1 30 HIS H . . 6.000 4.483 4.294 4.617 . 0 0 "[ . 1 . 2]" 1
29 1 28 LYS H 1 29 MET H . . 4.160 2.322 2.022 2.649 . 0 0 "[ . 1 . 2]" 1
30 1 44 LEU H 1 45 LEU H . . 4.780 2.468 2.188 2.930 . 0 0 "[ . 1 . 2]" 1
31 1 42 TRP HA 1 45 LEU H . . 6.000 3.401 3.016 3.793 . 0 0 "[ . 1 . 2]" 1
32 1 44 LEU HB3 1 45 LEU H . . 5.030 4.288 3.962 4.444 . 0 0 "[ . 1 . 2]" 1
33 1 42 TRP H 1 43 LYS H . . 5.140 2.659 2.492 2.744 . 0 0 "[ . 1 . 2]" 1
34 1 71 TYR H 1 72 LYS HA . . 6.000 5.359 4.617 6.093 0.093 17 0 "[ . 1 . 2]" 1
35 1 79 THR HB 1 81 THR H . . 6.000 5.087 2.026 6.075 0.075 16 0 "[ . 1 . 2]" 1
36 1 54 ILE H 1 55 ASP H . . 4.990 2.275 2.128 2.456 . 0 0 "[ . 1 . 2]" 1
37 1 38 LEU HA 1 42 TRP H . . 6.000 3.978 3.810 4.174 . 0 0 "[ . 1 . 2]" 1
38 1 57 ALA H 1 60 LEU H . . 5.820 4.760 4.616 5.134 . 0 0 "[ . 1 . 2]" 1
39 1 8 MET H 1 9 ASN H . . 5.960 4.443 4.365 4.605 . 0 0 "[ . 1 . 2]" 1
40 1 60 LEU H 1 61 ARG H . . 5.140 2.657 2.497 2.807 . 0 0 "[ . 1 . 2]" 1
41 1 61 ARG H 1 62 ALA H . . 4.920 2.665 2.490 2.853 . 0 0 "[ . 1 . 2]" 1
42 1 58 LYS HA 1 61 ARG H . . 4.670 3.404 3.089 3.645 . 0 0 "[ . 1 . 2]" 1
43 1 60 LEU HB3 1 61 ARG H . . 5.320 3.733 3.500 4.208 . 0 0 "[ . 1 . 2]" 1
44 1 60 LEU HB2 1 61 ARG H . . 5.320 2.792 2.455 3.896 . 0 0 "[ . 1 . 2]" 1
45 1 34 ILE H 1 37 ARG H . . 6.000 4.889 4.661 5.125 . 0 0 "[ . 1 . 2]" 1
46 1 23 ALA H 1 25 GLU H . . 5.390 4.041 3.787 4.353 . 0 0 "[ . 1 . 2]" 1
47 1 23 ALA H 1 24 GLN H . . 4.560 2.614 2.458 2.751 . 0 0 "[ . 1 . 2]" 1
48 1 21 LYS H 1 23 ALA H . . 6.000 4.211 3.877 4.603 . 0 0 "[ . 1 . 2]" 1
49 1 19 ARG HA 1 23 ALA H . . 6.000 4.025 3.619 4.308 . 0 0 "[ . 1 . 2]" 1
50 1 17 GLY H 1 18 GLN H . . 5.030 2.634 2.506 2.815 . 0 0 "[ . 1 . 2]" 1
51 1 16 ARG HA 1 18 GLN H . . 4.880 4.761 4.491 4.894 0.014 20 0 "[ . 1 . 2]" 1
52 1 14 TRP HA 1 18 GLN H . . 6.000 2.788 2.465 3.182 . 0 0 "[ . 1 . 2]" 1
53 1 15 SER H 1 18 GLN H . . 6.000 4.508 4.304 4.762 . 0 0 "[ . 1 . 2]" 1
54 1 15 SER HA 1 18 GLN H . . 6.000 4.338 4.055 4.672 . 0 0 "[ . 1 . 2]" 1
55 1 46 SER H 1 47 GLU H . . 6.000 4.554 4.487 4.590 . 0 0 "[ . 1 . 2]" 1
56 1 46 SER H 1 49 GLU H . . 6.000 3.920 3.219 4.148 . 0 0 "[ . 1 . 2]" 1
57 1 45 LEU H 1 46 SER H . . 6.000 4.464 4.356 4.588 . 0 0 "[ . 1 . 2]" 1
58 1 9 ASN H 1 13 VAL H . . 6.000 5.114 4.770 5.457 . 0 0 "[ . 1 . 2]" 1
59 1 18 GLN H 1 19 ARG H . . 4.960 2.619 2.427 2.730 . 0 0 "[ . 1 . 2]" 1
60 1 19 ARG H 1 20 ARG H . . 5.140 2.701 2.586 2.861 . 0 0 "[ . 1 . 2]" 1
61 1 21 LYS H 1 24 GLN H . . 6.000 4.911 4.734 5.164 . 0 0 "[ . 1 . 2]" 1
62 1 18 GLN H 1 21 LYS H . . 6.000 4.777 4.413 5.009 . 0 0 "[ . 1 . 2]" 1
63 1 63 LEU H 1 66 LYS H . . 4.780 4.824 4.382 4.918 0.138 10 0 "[ . 1 . 2]" 1
64 1 37 ARG H 1 38 LEU H . . 4.880 2.694 2.554 2.811 . 0 0 "[ . 1 . 2]" 1
65 1 35 SER HA 1 38 LEU H . . 5.640 3.795 3.323 4.285 . 0 0 "[ . 1 . 2]" 1
66 1 37 ARG HB3 1 38 LEU H . . 5.280 3.378 2.404 3.733 . 0 0 "[ . 1 . 2]" 1
67 1 35 SER H 1 38 LEU H . . 6.000 4.792 4.452 4.968 . 0 0 "[ . 1 . 2]" 1
68 1 15 SER H 1 19 ARG H . . 6.000 5.701 5.419 6.013 0.013 16 0 "[ . 1 . 2]" 1
69 1 57 ALA HA 1 60 LEU H . . 4.630 3.412 3.143 3.749 . 0 0 "[ . 1 . 2]" 1
70 1 59 ARG HB2 1 60 LEU H . . 5.350 2.910 2.424 3.852 . 0 0 "[ . 1 . 2]" 1
71 1 59 ARG HB3 1 60 LEU H . . 5.350 3.262 2.253 3.861 . 0 0 "[ . 1 . 2]" 1
72 1 63 LEU H 1 64 HIS HB3 . . 6.000 5.274 4.706 6.091 0.091 2 0 "[ . 1 . 2]" 1
73 1 63 LEU H 1 64 HIS HB2 . . 6.000 4.981 4.583 5.320 . 0 0 "[ . 1 . 2]" 1
74 1 37 ARG HA 1 41 GLU H . . 5.640 4.088 3.849 4.380 . 0 0 "[ . 1 . 2]" 1
75 1 64 HIS H 1 66 LYS H . . 4.630 3.957 3.712 4.203 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASN HB2 1 11 PHE H . . 5.030 3.462 3.221 3.989 . 0 0 "[ . 1 . 2]" 1
77 1 61 ARG HA 1 64 HIS H . . 4.560 3.473 3.065 3.768 . 0 0 "[ . 1 . 2]" 1
78 1 57 ALA H 1 58 LYS H . . 5.170 2.736 2.621 2.836 . 0 0 "[ . 1 . 2]" 1
79 1 54 ILE HA 1 58 LYS H . . 4.700 4.393 4.016 4.595 . 0 0 "[ . 1 . 2]" 1
80 1 22 MET H 1 25 GLU HB2 . . 4.960 4.990 4.738 5.071 0.111 18 0 "[ . 1 . 2]" 1
81 1 21 LYS HB2 1 22 MET H . . 6.000 3.846 3.576 4.179 . 0 0 "[ . 1 . 2]" 1
82 1 21 LYS HB3 1 22 MET H . . 6.000 3.831 2.365 4.121 . 0 0 "[ . 1 . 2]" 1
83 1 9 ASN H 1 11 PHE H . . 6.000 5.393 4.976 5.723 . 0 0 "[ . 1 . 2]" 1
84 1 62 ALA H 1 65 MET H . . 5.500 4.662 4.498 4.831 . 0 0 "[ . 1 . 2]" 1
85 1 55 ASP HA 1 58 LYS H . . 5.320 3.231 2.880 3.516 . 0 0 "[ . 1 . 2]" 1
86 1 64 HIS HB3 1 65 MET H . . 5.710 3.150 2.672 3.959 . 0 0 "[ . 1 . 2]" 1
87 1 64 HIS HB2 1 65 MET H . . 5.710 3.856 2.657 4.169 . 0 0 "[ . 1 . 2]" 1
88 1 53 PHE H 1 55 ASP H . . 6.000 3.974 3.812 4.120 . 0 0 "[ . 1 . 2]" 1
89 1 20 ARG H 1 22 MET H . . 6.000 4.046 3.728 4.480 . 0 0 "[ . 1 . 2]" 1
90 1 25 GLU H 1 26 ASN HA . . 6.000 4.997 4.777 5.204 . 0 0 "[ . 1 . 2]" 1
91 1 22 MET H 1 25 GLU H . . 6.000 4.670 4.490 4.789 . 0 0 "[ . 1 . 2]" 1
92 1 24 GLN H 1 25 GLU H . . 4.130 2.438 2.335 2.624 . 0 0 "[ . 1 . 2]" 1
93 1 21 LYS HA 1 24 GLN H . . 4.380 3.433 3.097 3.810 . 0 0 "[ . 1 . 2]" 1
94 1 22 MET H 1 24 GLN H . . 4.810 4.069 3.905 4.314 . 0 0 "[ . 1 . 2]" 1
95 1 26 ASN HB2 1 28 LYS H . . 6.000 3.547 3.005 4.161 . 0 0 "[ . 1 . 2]" 1
96 1 26 ASN HB3 1 28 LYS H . . 6.000 4.971 4.407 5.731 . 0 0 "[ . 1 . 2]" 1
97 1 41 GLU H 1 44 LEU H . . 6.000 5.076 4.641 5.370 . 0 0 "[ . 1 . 2]" 1
98 1 42 TRP HA 1 44 LEU H . . 6.000 3.876 3.487 4.274 . 0 0 "[ . 1 . 2]" 1
99 1 48 THR H 1 50 LYS H . . 6.000 3.828 3.642 4.136 . 0 0 "[ . 1 . 2]" 1
100 1 25 GLU H 1 26 ASN H . . 4.450 2.487 2.269 2.685 . 0 0 "[ . 1 . 2]" 1
101 1 26 ASN H 1 27 PRO HA . . 6.000 4.287 4.118 4.493 . 0 0 "[ . 1 . 2]" 1
102 1 22 MET HA 1 26 ASN H . . 4.850 3.392 2.973 3.811 . 0 0 "[ . 1 . 2]" 1
103 1 25 GLU HB3 1 26 ASN H . . 5.060 3.492 3.074 3.724 . 0 0 "[ . 1 . 2]" 1
104 1 35 SER H 1 37 ARG H . . 6.000 4.202 3.969 4.438 . 0 0 "[ . 1 . 2]" 1
105 1 34 ILE H 1 35 SER H . . 2.980 2.726 2.642 2.838 . 0 0 "[ . 1 . 2]" 1
106 1 35 SER H 1 36 LYS H . . 3.080 2.528 2.440 2.619 . 0 0 "[ . 1 . 2]" 1
107 1 33 GLU H 1 35 SER H . . 3.880 3.961 3.789 4.051 0.171 20 0 "[ . 1 . 2]" 1
108 1 34 ILE HB 1 35 SER H . . 4.600 2.702 2.553 2.816 . 0 0 "[ . 1 . 2]" 1
109 1 41 GLU H 1 43 LYS H . . 5.350 4.022 3.802 4.232 . 0 0 "[ . 1 . 2]" 1
110 1 40 ALA H 1 43 LYS H . . 5.710 4.853 4.664 4.968 . 0 0 "[ . 1 . 2]" 1
111 1 15 SER H 1 16 ARG H . . 5.320 2.782 2.618 2.919 . 0 0 "[ . 1 . 2]" 1
112 1 12 MET HA 1 15 SER H . . 4.740 3.285 3.085 3.451 . 0 0 "[ . 1 . 2]" 1
113 1 48 THR H 1 49 GLU H . . 4.670 2.613 2.506 2.750 . 0 0 "[ . 1 . 2]" 1
114 1 46 SER HA 1 48 THR H . . 5.530 4.262 4.031 4.748 . 0 0 "[ . 1 . 2]" 1
115 1 47 GLU HB2 1 48 THR H . . 4.600 3.568 2.816 4.098 . 0 0 "[ . 1 . 2]" 1
116 1 47 GLU H 1 48 THR H . . 4.960 2.632 2.466 2.905 . 0 0 "[ . 1 . 2]" 1
117 1 38 LEU H 1 39 GLY H . . 5.240 2.786 2.596 3.021 . 0 0 "[ . 1 . 2]" 1
118 1 14 TRP H 1 17 GLY H . . 6.000 4.591 4.475 4.742 . 0 0 "[ . 1 . 2]" 1
119 1 16 ARG H 1 17 GLY H . . 4.520 2.431 2.383 2.587 . 0 0 "[ . 1 . 2]" 1
120 1 15 SER HA 1 17 GLY H . . 6.000 4.637 4.337 4.920 . 0 0 "[ . 1 . 2]" 1
121 1 8 MET HA 1 9 ASN H . . 3.010 2.492 2.448 2.527 . 0 0 "[ . 1 . 2]" 1
122 1 50 LYS H 1 51 ARG H . . 3.980 2.582 2.412 2.856 . 0 0 "[ . 1 . 2]" 1
123 1 9 ASN H 1 10 ALA H . . 4.520 4.584 4.451 4.612 0.092 7 0 "[ . 1 . 2]" 1
124 1 9 ASN HB3 1 11 PHE H . . 5.030 4.914 4.718 5.077 0.047 1 0 "[ . 1 . 2]" 1
125 1 4 VAL HB 1 5 LYS H . . 3.660 3.064 1.790 3.754 0.094 16 0 "[ . 1 . 2]" 1
126 1 10 ALA H 1 11 PHE H . . 3.340 3.135 3.046 3.247 . 0 0 "[ . 1 . 2]" 1
127 1 12 MET H 1 13 VAL H . . 3.370 2.493 2.402 2.578 . 0 0 "[ . 1 . 2]" 1
128 1 17 GLY H 1 20 ARG H . . 4.850 4.537 4.308 4.794 . 0 0 "[ . 1 . 2]" 1
129 1 14 TRP HA 1 17 GLY H . . 3.730 3.519 3.119 3.814 0.084 2 0 "[ . 1 . 2]" 1
130 1 20 ARG H 1 21 LYS H . . 3.050 2.778 2.591 2.959 . 0 0 "[ . 1 . 2]" 1
131 1 21 LYS H 1 22 MET H . . 3.010 2.738 2.578 2.926 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLN HA 1 21 LYS H . . 3.590 3.396 2.921 3.622 0.032 19 0 "[ . 1 . 2]" 1
133 1 20 ARG HB3 1 21 LYS H . . 3.840 2.593 2.182 3.436 . 0 0 "[ . 1 . 2]" 1
134 1 36 LYS H 1 38 LEU H . . 4.200 4.061 3.692 4.212 0.012 8 0 "[ . 1 . 2]" 1
135 1 38 LEU H 1 40 ALA H . . 4.700 4.240 3.979 4.372 . 0 0 "[ . 1 . 2]" 1
136 1 42 TRP HB3 1 43 LYS H . . 5.530 2.855 2.626 3.420 . 0 0 "[ . 1 . 2]" 1
137 1 47 GLU H 1 49 GLU H . . 4.780 4.154 3.900 4.442 . 0 0 "[ . 1 . 2]" 1
138 1 52 PRO HA 1 54 ILE H . . 3.550 3.776 3.669 3.849 0.299 20 0 "[ . 1 . 2]" 1
139 1 56 GLU H 1 57 ALA H . . 2.870 2.678 2.564 2.783 . 0 0 "[ . 1 . 2]" 1
140 1 59 ARG H 1 60 LEU H . . 3.370 2.693 2.568 2.930 . 0 0 "[ . 1 . 2]" 1
141 1 59 ARG H 1 59 ARG HA . . 2.830 2.816 2.781 2.838 0.008 1 0 "[ . 1 . 2]" 1
142 1 71 TYR HA 1 72 LYS H . . 2.650 2.392 2.082 2.813 0.163 15 0 "[ . 1 . 2]" 1
143 1 55 ASP H 1 56 GLU H . . 3.190 2.649 2.505 2.837 . 0 0 "[ . 1 . 2]" 1
144 1 56 GLU HA 1 60 LEU H . . 4.450 4.202 3.830 4.485 0.035 6 0 "[ . 1 . 2]" 1
145 1 15 SER HA 1 19 ARG H . . 4.630 4.224 4.050 4.454 . 0 0 "[ . 1 . 2]" 1
146 1 63 LEU H 1 63 LEU HA . . 2.720 2.805 2.780 2.827 0.107 17 0 "[ . 1 . 2]" 1
147 1 63 LEU H 1 63 LEU HB2 . . 2.940 2.483 2.423 2.540 . 0 0 "[ . 1 . 2]" 1
148 1 63 LEU H 1 64 HIS H . . 3.120 2.631 2.501 2.798 . 0 0 "[ . 1 . 2]" 1
149 1 63 LEU HB2 1 64 HIS H . . 4.160 2.812 2.576 3.008 . 0 0 "[ . 1 . 2]" 1
150 1 72 LYS HA 1 74 ARG H . . 5.240 5.333 5.170 5.479 0.239 1 0 "[ . 1 . 2]" 1
151 1 66 LYS H 1 66 LYS HB3 . . 4.200 2.995 2.490 3.632 . 0 0 "[ . 1 . 2]" 1
152 1 2 ASP HA 1 3 ARG H . . 3.340 2.386 2.143 3.278 . 0 0 "[ . 1 . 2]" 1
153 1 3 ARG HB2 1 4 VAL H . . 4.560 3.492 2.394 4.341 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL H 1 15 SER H . . 4.270 3.961 3.855 4.053 . 0 0 "[ . 1 . 2]" 1
155 1 38 LEU HA 1 40 ALA H . . 4.600 4.459 4.173 4.594 . 0 0 "[ . 1 . 2]" 1
156 1 55 ASP HB3 1 56 GLU H . . 4.630 2.565 2.267 3.472 . 0 0 "[ . 1 . 2]" 1
157 1 56 GLU H 1 56 GLU HA . . 2.800 2.808 2.779 2.846 0.046 18 0 "[ . 1 . 2]" 1
158 1 25 GLU H 1 25 GLU HB2 . . 2.940 2.389 2.181 2.489 . 0 0 "[ . 1 . 2]" 1
159 1 20 ARG H 1 20 ARG HB3 . . 3.770 2.816 2.279 3.555 . 0 0 "[ . 1 . 2]" 1
160 1 45 LEU H 1 45 LEU HB3 . . 4.130 2.489 2.348 2.574 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL H 1 16 ARG H . . 4.850 4.997 4.749 5.144 0.294 17 0 "[ . 1 . 2]" 1
162 1 80 LYS H 1 81 THR H . . 5.350 3.296 1.972 4.565 . 0 0 "[ . 1 . 2]" 1
163 1 55 ASP H 1 57 ALA H . . 4.020 3.863 3.729 3.988 . 0 0 "[ . 1 . 2]" 1
164 1 39 GLY H 1 40 ALA H . . 3.050 2.706 2.548 2.802 . 0 0 "[ . 1 . 2]" 1
165 1 39 GLY H 1 41 GLU H . . 3.980 4.063 3.994 4.163 0.183 2 0 "[ . 1 . 2]" 1
166 1 30 HIS H 1 33 GLU H . . 4.490 4.125 3.715 4.588 0.098 1 0 "[ . 1 . 2]" 1
167 1 32 SER H 1 33 GLU H . . 4.380 2.709 2.457 2.868 . 0 0 "[ . 1 . 2]" 1
168 1 51 ARG HA 1 54 ILE H . . 3.550 3.628 3.551 3.769 0.219 18 0 "[ . 1 . 2]" 1
169 1 30 HIS H 1 30 HIS HD2 . . 6.000 3.617 2.130 5.028 . 0 0 "[ . 1 . 2]" 1
170 1 40 ALA H 1 41 GLU HG2 . . 6.000 4.430 4.001 5.799 . 0 0 "[ . 1 . 2]" 1
171 1 26 ASN QD 1 29 MET H . . 6.000 4.348 2.964 5.515 . 0 0 "[ . 1 . 2]" 1
172 1 29 MET HG3 1 34 ILE H . . 6.000 4.993 3.619 6.098 0.098 10 0 "[ . 1 . 2]" 1
173 1 33 GLU HG3 1 34 ILE H . . 6.000 4.255 3.510 4.855 . 0 0 "[ . 1 . 2]" 1
174 1 29 MET HG2 1 34 ILE H . . 6.000 4.885 3.210 6.029 0.029 13 0 "[ . 1 . 2]" 1
175 1 62 ALA H 1 63 LEU HG . . 6.000 4.425 4.258 4.548 . 0 0 "[ . 1 . 2]" 1
176 1 14 TRP HH2 1 42 TRP H . . 6.000 4.758 3.252 5.422 . 0 0 "[ . 1 . 2]" 1
177 1 41 GLU HG3 1 42 TRP H . . 6.000 4.810 2.783 5.214 . 0 0 "[ . 1 . 2]" 1
178 1 41 GLU HG2 1 42 TRP H . . 6.000 4.307 2.998 5.025 . 0 0 "[ . 1 . 2]" 1
179 1 9 ASN QD 1 13 VAL H . . 6.000 4.080 3.166 4.769 . 0 0 "[ . 1 . 2]" 1
180 1 11 PHE QE 1 38 LEU H . . 8.130 7.662 6.965 8.058 . 0 0 "[ . 1 . 2]" 1
181 1 41 GLU H 1 41 GLU HG3 . . 5.390 3.555 2.392 3.845 . 0 0 "[ . 1 . 2]" 1
182 1 41 GLU H 1 41 GLU HG2 . . 5.390 2.406 2.016 3.586 . 0 0 "[ . 1 . 2]" 1
183 1 58 LYS H 1 58 LYS HD3 . . 6.000 4.309 3.106 4.897 . 0 0 "[ . 1 . 2]" 1
184 1 45 LEU HG 1 50 LYS H . . 4.880 4.416 3.879 5.023 0.143 1 0 "[ . 1 . 2]" 1
185 1 42 TRP HD1 1 43 LYS H . . 6.000 4.226 3.589 5.957 . 0 0 "[ . 1 . 2]" 1
186 1 11 PHE H 1 42 TRP HH2 . . 3.800 3.406 2.756 3.811 0.011 2 0 "[ . 1 . 2]" 1
187 1 40 ALA H 1 41 GLU HG3 . . 6.000 5.697 4.341 6.005 0.005 17 0 "[ . 1 . 2]" 1
188 1 50 LYS HG2 1 51 ARG H . . 5.820 4.774 4.160 5.258 . 0 0 "[ . 1 . 2]" 1
189 1 9 ASN QD 1 10 ALA H . . 3.590 3.525 3.258 3.650 0.060 1 0 "[ . 1 . 2]" 1
190 1 9 ASN QD 1 12 MET H . . 3.910 2.511 1.935 2.967 . 0 0 "[ . 1 . 2]" 1
191 1 60 LEU H 1 60 LEU HG . . 2.470 2.187 1.928 2.351 . 0 0 "[ . 1 . 2]" 1
192 1 29 MET HG2 1 30 HIS H . . 6.000 4.343 3.127 5.345 . 0 0 "[ . 1 . 2]" 1
193 1 38 LEU HG 1 39 GLY H . . 5.210 5.010 3.966 5.168 . 0 0 "[ . 1 . 2]" 1
194 1 50 LYS HG3 1 51 ARG H . . 5.820 5.007 3.283 5.543 . 0 0 "[ . 1 . 2]" 1
195 1 71 TYR QD 1 72 LYS H . . 6.720 3.957 2.507 4.970 . 0 0 "[ . 1 . 2]" 1
196 1 63 LEU H 1 63 LEU HG . . 2.400 2.302 2.216 2.411 0.011 19 0 "[ . 1 . 2]" 1
197 1 9 ASN QD 1 11 PHE H . . 4.920 2.317 1.975 3.029 . 0 0 "[ . 1 . 2]" 1
198 1 9 ASN H 1 9 ASN QD . . 5.170 3.375 2.080 4.210 . 0 0 "[ . 1 . 2]" 1
199 1 26 ASN QD 1 28 LYS H . . 5.030 4.088 3.460 4.733 . 0 0 "[ . 1 . 2]" 1
200 1 18 GLN HA 1 18 GLN HE22 . . 5.320 4.213 3.115 4.920 . 0 0 "[ . 1 . 2]" 1
201 1 18 GLN HE22 1 21 LYS HD2 . . 6.870 4.029 2.142 5.910 . 0 0 "[ . 1 . 2]" 1
202 1 18 GLN HE22 1 18 GLN HG3 . . 3.950 3.674 3.482 4.042 0.092 5 0 "[ . 1 . 2]" 1
203 1 18 GLN HE22 1 18 GLN HG2 . . 3.950 3.629 3.467 3.805 . 0 0 "[ . 1 . 2]" 1
204 1 18 GLN HA 1 18 GLN HE21 . . 5.320 4.138 2.353 4.848 . 0 0 "[ . 1 . 2]" 1
205 1 18 GLN HE21 1 21 LYS HE2 . . 7.760 5.666 3.318 7.627 . 0 0 "[ . 1 . 2]" 1
206 1 18 GLN HE21 1 21 LYS HD2 . . 6.870 4.839 3.124 6.904 0.034 17 0 "[ . 1 . 2]" 1
207 1 9 ASN HB3 1 9 ASN QD . . 3.340 3.220 2.943 3.291 . 0 0 "[ . 1 . 2]" 1
208 1 9 ASN HB2 1 9 ASN QD . . 3.340 2.471 2.135 3.232 . 0 0 "[ . 1 . 2]" 1
209 1 8 MET HG2 1 9 ASN QD . . 6.000 4.439 2.408 5.292 . 0 0 "[ . 1 . 2]" 1
210 1 26 ASN HA 1 26 ASN QD . . 4.490 3.599 3.408 3.994 . 0 0 "[ . 1 . 2]" 1
211 1 22 MET HA 1 26 ASN QD . . 3.120 2.906 2.410 3.165 0.045 17 0 "[ . 1 . 2]" 1
212 1 18 GLN HE22 1 21 LYS HE2 . . 7.760 4.654 2.475 6.325 . 0 0 "[ . 1 . 2]" 1
213 1 9 ASN QD 1 11 PHE QD . . 8.130 3.642 3.154 4.194 . 0 0 "[ . 1 . 2]" 1
214 1 31 ASN H 1 31 ASN HD21 . . 5.860 3.420 2.263 4.967 . 0 0 "[ . 1 . 2]" 1
215 1 14 TRP H 1 53 PHE QE . . 5.170 4.040 3.595 4.680 . 0 0 "[ . 1 . 2]" 1
216 1 30 HIS HA 1 31 ASN HD21 . . 5.780 4.864 3.307 5.934 0.154 7 0 "[ . 1 . 2]" 1
217 1 56 GLU H 1 57 ALA MB . . 7.020 4.341 4.220 4.445 . 0 0 "[ . 1 . 2]" 1
218 1 40 ALA MB 1 42 TRP H . . 7.020 4.558 4.350 4.704 . 0 0 "[ . 1 . 2]" 1
219 1 54 ILE MG 1 55 ASP H . . 6.870 3.701 3.579 3.780 . 0 0 "[ . 1 . 2]" 1
220 1 23 ALA H 1 34 ILE MG . . 7.020 5.879 4.772 6.612 . 0 0 "[ . 1 . 2]" 1
221 1 13 VAL H 1 57 ALA MB . . 7.020 5.096 4.867 5.394 . 0 0 "[ . 1 . 2]" 1
222 1 48 THR MG 1 51 ARG H . . 7.020 5.226 4.951 5.708 . 0 0 "[ . 1 . 2]" 1
223 1 22 MET ME 1 38 LEU H . . 5.110 5.536 4.628 6.195 1.085 10 9 "[ -* * * *+ .* **]" 1
224 1 65 MET H 1 65 MET ME . . 5.430 4.163 3.489 4.840 . 0 0 "[ . 1 . 2]" 1
225 1 22 MET ME 1 26 ASN QD . . 7.020 3.721 2.407 4.919 . 0 0 "[ . 1 . 2]" 1
226 1 23 ALA MB 1 26 ASN H . . 7.020 4.953 4.679 5.385 . 0 0 "[ . 1 . 2]" 1
227 1 34 ILE MG 1 35 SER H . . 6.730 3.538 3.115 3.774 . 0 0 "[ . 1 . 2]" 1
228 1 13 VAL QG 1 15 SER H . . 7.020 4.337 3.934 4.434 . 0 0 "[ . 1 . 2]" 1
229 1 9 ASN H 1 57 ALA MB . . 6.510 5.987 5.244 6.800 0.290 7 0 "[ . 1 . 2]" 1
230 1 10 ALA H 1 54 ILE MD . . 3.780 3.776 3.234 4.912 1.132 7 2 "[ .-+ 1 . 2]" 1
231 1 60 LEU H 1 60 LEU MD1 . . 5.470 3.602 3.320 3.723 . 0 0 "[ . 1 . 2]" 1
232 1 19 ARG H 1 38 LEU QD . . 4.970 3.497 2.990 4.422 . 0 0 "[ . 1 . 2]" 1
233 1 38 LEU H 1 38 LEU QD . . 4.390 2.506 2.156 3.699 . 0 0 "[ . 1 . 2]" 1
234 1 38 LEU QD 1 39 GLY H . . 5.690 3.867 3.298 4.021 . 0 0 "[ . 1 . 2]" 1
235 1 48 THR MG 1 50 LYS H . . 4.610 4.251 4.012 5.262 0.652 7 1 "[ . + 1 . 2]" 1
236 1 45 LEU MD1 1 50 LYS H . . 5.470 3.552 2.744 4.551 . 0 0 "[ . 1 . 2]" 1
237 1 45 LEU MD2 1 50 LYS H . . 5.470 4.288 2.857 5.411 . 0 0 "[ . 1 . 2]" 1
238 1 54 ILE MG 1 58 LYS H . . 4.750 4.094 3.790 4.371 . 0 0 "[ . 1 . 2]" 1
239 1 62 ALA MB 1 63 LEU H . . 3.420 2.532 2.382 2.742 . 0 0 "[ . 1 . 2]" 1
240 1 10 ALA MB 1 11 PHE H . . 3.960 2.628 2.451 2.851 . 0 0 "[ . 1 . 2]" 1
241 1 79 THR MG 1 80 LYS H . . 5.970 3.438 1.761 4.246 . 0 0 "[ . 1 . 2]" 1
242 1 63 LEU MD2 1 66 LYS H . . 6.550 5.000 4.705 5.243 . 0 0 "[ . 1 . 2]" 1
243 1 13 VAL QG 1 16 ARG H . . 6.500 4.620 4.361 4.866 . 0 0 "[ . 1 . 2]" 1
244 1 45 LEU MD1 1 49 GLU H . . 6.870 3.937 3.613 4.449 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLN HE21 1 22 MET ME . . 7.020 3.244 1.778 5.047 . 0 0 "[ . 1 . 2]" 1
246 1 18 GLN HE21 1 38 LEU QD . . 9.390 4.141 3.158 5.506 . 0 0 "[ . 1 . 2]" 1
247 1 8 MET ME 1 9 ASN QD . . 5.690 3.776 2.436 5.962 0.272 6 0 "[ . 1 . 2]" 1
248 1 18 GLN HE22 1 22 MET ME . . 7.020 3.695 1.990 4.983 . 0 0 "[ . 1 . 2]" 1
249 1 29 MET H 1 34 ILE MD . . 5.000 4.485 3.991 5.060 0.060 13 0 "[ . 1 . 2]" 1
250 1 63 LEU H 1 63 LEU MD2 . . 3.640 3.287 3.115 3.437 . 0 0 "[ . 1 . 2]" 1
251 1 26 ASN QD 1 34 ILE MD . . 7.020 4.728 2.894 6.081 . 0 0 "[ . 1 . 2]" 1
252 1 33 GLU H 1 34 ILE MD . . 6.230 5.095 4.433 5.725 . 0 0 "[ . 1 . 2]" 1
253 1 9 ASN QD 1 12 MET ME . . 6.870 3.636 2.781 5.296 . 0 0 "[ . 1 . 2]" 1
254 1 30 HIS H 1 34 ILE MD . . 6.370 4.304 2.780 5.165 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLN HE22 1 38 LEU QD . . 9.390 4.997 3.517 6.451 . 0 0 "[ . 1 . 2]" 1
256 1 45 LEU MD2 1 49 GLU H . . 6.870 5.173 3.402 6.042 . 0 0 "[ . 1 . 2]" 1
257 1 47 GLU H 1 48 THR MG . . 5.790 3.961 3.458 5.859 0.069 13 0 "[ . 1 . 2]" 1
258 1 55 ASP H 1 57 ALA MB . . 5.690 4.485 4.345 4.710 . 0 0 "[ . 1 . 2]" 1
259 1 20 ARG H 1 20 ARG HB2 . . 3.770 2.490 2.151 2.828 . 0 0 "[ . 1 . 2]" 1
260 1 33 GLU HA 1 36 LYS HB2 . . 4.490 3.138 2.372 4.063 . 0 0 "[ . 1 . 2]" 1
261 1 45 LEU H 1 45 LEU HB2 . . 4.130 2.607 2.443 3.596 . 0 0 "[ . 1 . 2]" 1
262 1 47 GLU H 1 47 GLU HB3 . . 4.200 3.007 2.484 3.621 . 0 0 "[ . 1 . 2]" 1
263 1 47 GLU H 1 47 GLU HB2 . . 4.200 2.900 2.041 3.621 . 0 0 "[ . 1 . 2]" 1
264 1 48 THR H 1 48 THR HB . . 4.130 2.667 2.477 3.572 . 0 0 "[ . 1 . 2]" 1
265 1 8 MET H 1 57 ALA HA . . 4.960 4.706 4.069 5.102 0.142 18 0 "[ . 1 . 2]" 1
266 1 66 LYS H 1 66 LYS HB2 . . 4.200 3.091 2.328 3.679 . 0 0 "[ . 1 . 2]" 1
267 1 3 ARG HA 1 4 VAL H . . 3.120 2.291 2.084 2.797 . 0 0 "[ . 1 . 2]" 1
268 1 4 VAL HA 1 5 LYS H . . 3.340 2.293 2.057 2.773 . 0 0 "[ . 1 . 2]" 1
269 1 7 PRO HA 1 8 MET H . . 3.260 2.203 2.131 2.472 . 0 0 "[ . 1 . 2]" 1
270 1 9 ASN HB2 1 10 ALA H . . 4.560 2.469 1.800 2.707 . 0 0 "[ . 1 . 2]" 1
271 1 9 ASN HB3 1 10 ALA H . . 4.560 3.734 3.286 3.958 . 0 0 "[ . 1 . 2]" 1
272 1 12 MET HB3 1 13 VAL H . . 4.960 3.593 2.667 3.733 . 0 0 "[ . 1 . 2]" 1
273 1 13 VAL HB 1 14 TRP H . . 4.490 2.445 2.220 3.655 . 0 0 "[ . 1 . 2]" 1
274 1 20 ARG HB2 1 21 LYS H . . 3.840 3.399 2.402 3.894 0.054 6 0 "[ . 1 . 2]" 1
275 1 29 MET HA 1 30 HIS H . . 3.550 2.248 2.092 2.462 . 0 0 "[ . 1 . 2]" 1
276 1 35 SER HB2 1 36 LYS H . . 4.670 3.001 2.636 3.935 . 0 0 "[ . 1 . 2]" 1
277 1 37 ARG HB2 1 38 LEU H . . 5.280 2.639 2.223 3.601 . 0 0 "[ . 1 . 2]" 1
278 1 42 TRP HB2 1 43 LYS H . . 5.530 3.847 3.160 4.107 . 0 0 "[ . 1 . 2]" 1
279 1 44 LEU HB2 1 45 LEU H . . 5.030 4.033 3.372 4.560 . 0 0 "[ . 1 . 2]" 1
280 1 46 SER HA 1 47 GLU H . . 3.550 2.415 2.235 2.608 . 0 0 "[ . 1 . 2]" 1
281 1 47 GLU HB3 1 48 THR H . . 4.600 3.755 2.708 4.342 . 0 0 "[ . 1 . 2]" 1
282 1 48 THR HB 1 49 GLU H . . 4.600 3.970 2.875 4.148 . 0 0 "[ . 1 . 2]" 1
283 1 50 LYS HB3 1 51 ARG H . . 5.780 3.413 2.623 4.380 . 0 0 "[ . 1 . 2]" 1
284 1 10 ALA H 1 54 ILE HA . . 5.140 5.558 5.217 6.945 1.805 6 2 "[ .+- 1 . 2]" 1
285 1 54 ILE HB 1 55 ASP H . . 4.700 2.801 2.691 2.884 . 0 0 "[ . 1 . 2]" 1
286 1 22 MET HA 1 25 GLU H . . 4.020 3.247 2.660 3.611 . 0 0 "[ . 1 . 2]" 1
287 1 70 ASP HA 1 71 TYR H . . 3.550 3.266 2.969 3.486 . 0 0 "[ . 1 . 2]" 1
288 1 71 TYR HB2 1 72 LYS H . . 4.810 4.058 2.163 4.572 . 0 0 "[ . 1 . 2]" 1
289 1 75 PRO HA 1 76 ARG H . . 3.550 2.532 2.148 3.549 . 0 0 "[ . 1 . 2]" 1
290 1 9 ASN HA 1 12 MET H . . 6.000 5.343 5.117 5.586 . 0 0 "[ . 1 . 2]" 1
291 1 10 ALA HA 1 12 MET H . . 5.170 4.698 4.507 4.897 . 0 0 "[ . 1 . 2]" 1
292 1 10 ALA HA 1 13 VAL H . . 4.630 3.506 3.268 3.731 . 0 0 "[ . 1 . 2]" 1
293 1 10 ALA HA 1 13 VAL HB . . 4.130 2.240 1.869 4.232 0.102 11 0 "[ . 1 . 2]" 1
294 1 12 MET HA 1 15 SER HB2 . . 4.490 2.843 2.377 3.156 . 0 0 "[ . 1 . 2]" 1
295 1 12 MET HA 1 15 SER HB3 . . 4.490 3.500 2.460 4.481 . 0 0 "[ . 1 . 2]" 1
296 1 13 VAL HA 1 16 ARG H . . 5.210 3.853 3.567 4.106 . 0 0 "[ . 1 . 2]" 1
297 1 13 VAL HA 1 17 GLY H . . 6.000 3.713 3.116 4.023 . 0 0 "[ . 1 . 2]" 1
298 1 15 SER HA 1 18 GLN HB2 . . 5.240 4.744 3.673 5.271 0.031 14 0 "[ . 1 . 2]" 1
299 1 15 SER HA 1 18 GLN HB3 . . 5.240 4.141 3.728 5.316 0.076 8 0 "[ . 1 . 2]" 1
300 1 14 TRP H 1 15 SER HA . . 6.000 5.162 5.113 5.237 . 0 0 "[ . 1 . 2]" 1
301 1 16 ARG HA 1 19 ARG H . . 4.850 3.801 3.436 4.087 . 0 0 "[ . 1 . 2]" 1
302 1 16 ARG HA 1 20 ARG H . . 6.000 4.223 3.868 4.566 . 0 0 "[ . 1 . 2]" 1
303 1 17 GLY HA2 1 20 ARG HB2 . . 6.180 3.139 2.090 4.290 . 0 0 "[ . 1 . 2]" 1
304 1 17 GLY HA2 1 20 ARG HB3 . . 6.180 3.154 2.035 4.573 . 0 0 "[ . 1 . 2]" 1
305 1 18 GLN HA 1 20 ARG H . . 5.710 4.153 3.855 4.328 . 0 0 "[ . 1 . 2]" 1
306 1 18 GLN HA 1 22 MET H . . 5.600 3.605 3.127 3.959 . 0 0 "[ . 1 . 2]" 1
307 1 19 ARG HA 1 22 MET HB2 . . 5.500 3.421 2.432 5.108 . 0 0 "[ . 1 . 2]" 1
308 1 19 ARG HA 1 22 MET HB3 . . 5.500 3.594 2.277 5.277 . 0 0 "[ . 1 . 2]" 1
309 1 19 ARG HA 1 22 MET H . . 5.820 3.832 3.350 4.412 . 0 0 "[ . 1 . 2]" 1
310 1 20 ARG HA 1 24 GLN H . . 4.780 4.513 4.199 4.765 . 0 0 "[ . 1 . 2]" 1
311 1 23 ALA HA 1 25 GLU H . . 5.280 4.358 3.902 4.753 . 0 0 "[ . 1 . 2]" 1
312 1 31 ASN HA 1 34 ILE HB . . 4.630 2.914 2.065 4.386 . 0 0 "[ . 1 . 2]" 1
313 1 32 SER HA 1 35 SER H . . 6.000 3.403 3.002 3.739 . 0 0 "[ . 1 . 2]" 1
314 1 33 GLU HA 1 36 LYS H . . 4.240 3.315 3.100 3.672 . 0 0 "[ . 1 . 2]" 1
315 1 33 GLU HA 1 36 LYS HB3 . . 4.490 3.781 3.091 4.593 0.103 3 0 "[ . 1 . 2]" 1
316 1 34 ILE HA 1 37 ARG H . . 5.460 3.681 3.332 4.014 . 0 0 "[ . 1 . 2]" 1
317 1 34 ILE HA 1 38 LEU H . . 6.000 3.845 3.683 4.056 . 0 0 "[ . 1 . 2]" 1
318 1 35 SER HA 1 37 ARG H . . 6.000 4.640 4.366 4.934 . 0 0 "[ . 1 . 2]" 1
319 1 35 SER HA 1 38 LEU HB2 . . 5.280 2.996 2.388 3.629 . 0 0 "[ . 1 . 2]" 1
320 1 35 SER HA 1 38 LEU HB3 . . 5.280 4.151 2.601 4.958 . 0 0 "[ . 1 . 2]" 1
321 1 35 SER HA 1 39 GLY H . . 5.640 4.059 3.594 4.379 . 0 0 "[ . 1 . 2]" 1
322 1 37 ARG HA 1 40 ALA H . . 4.240 3.572 3.190 3.908 . 0 0 "[ . 1 . 2]" 1
323 1 33 GLU HA 1 35 SER H . . 5.570 4.093 3.817 4.339 . 0 0 "[ . 1 . 2]" 1
324 1 40 ALA HA 1 43 LYS H . . 4.490 3.484 3.221 3.808 . 0 0 "[ . 1 . 2]" 1
325 1 46 SER HA 1 49 GLU H . . 6.000 4.696 4.429 5.089 . 0 0 "[ . 1 . 2]" 1
326 1 47 GLU HA 1 49 GLU H . . 5.930 3.951 3.477 4.302 . 0 0 "[ . 1 . 2]" 1
327 1 47 GLU HA 1 50 LYS H . . 4.960 3.028 2.735 3.236 . 0 0 "[ . 1 . 2]" 1
328 1 47 GLU HA 1 50 LYS HB2 . . 4.240 2.483 2.032 4.266 0.026 20 0 "[ . 1 . 2]" 1
329 1 47 GLU HA 1 50 LYS HB3 . . 4.240 3.089 2.104 4.287 0.047 4 0 "[ . 1 . 2]" 1
330 1 47 GLU HA 1 51 ARG H . . 5.750 5.011 4.387 5.600 . 0 0 "[ . 1 . 2]" 1
331 1 48 THR HA 1 50 LYS H . . 5.390 3.887 3.542 4.271 . 0 0 "[ . 1 . 2]" 1
332 1 48 THR HA 1 51 ARG H . . 4.960 4.059 3.599 4.797 . 0 0 "[ . 1 . 2]" 1
333 1 47 GLU HA 1 50 LYS HA . . 4.490 4.601 4.351 4.800 0.310 19 0 "[ . 1 . 2]" 1
334 1 51 ARG HA 1 55 ASP H . . 6.000 4.800 4.251 5.486 . 0 0 "[ . 1 . 2]" 1
335 1 52 PRO HA 1 55 ASP H . . 5.320 2.926 2.678 3.174 . 0 0 "[ . 1 . 2]" 1
336 1 52 PRO HA 1 55 ASP HB3 . . 4.380 2.571 1.751 4.076 . 0 0 "[ . 1 . 2]" 1
337 1 52 PRO HA 1 56 GLU H . . 6.000 3.760 3.233 4.512 . 0 0 "[ . 1 . 2]" 1
338 1 53 PHE HA 1 56 GLU H . . 4.600 3.835 2.813 4.294 . 0 0 "[ . 1 . 2]" 1
339 1 53 PHE HA 1 57 ALA H . . 4.810 4.397 4.044 4.630 . 0 0 "[ . 1 . 2]" 1
340 1 54 ILE HA 1 57 ALA H . . 5.680 3.426 3.257 3.619 . 0 0 "[ . 1 . 2]" 1
341 1 54 ILE HA 1 56 GLU H . . 5.570 4.619 4.416 4.808 . 0 0 "[ . 1 . 2]" 1
342 1 56 GLU HA 1 59 ARG HB2 . . 4.450 2.650 2.180 3.170 . 0 0 "[ . 1 . 2]" 1
343 1 56 GLU HA 1 59 ARG HB3 . . 4.450 3.831 2.252 4.475 0.025 4 0 "[ . 1 . 2]" 1
344 1 57 ALA HA 1 61 ARG H . . 5.350 4.226 4.000 4.524 . 0 0 "[ . 1 . 2]" 1
345 1 58 LYS HA 1 60 LEU H . . 5.460 4.459 4.159 4.776 . 0 0 "[ . 1 . 2]" 1
346 1 58 LYS HA 1 62 ALA H . . 4.810 4.136 3.790 4.526 . 0 0 "[ . 1 . 2]" 1
347 1 59 ARG HA 1 62 ALA H . . 4.020 3.418 3.118 3.836 . 0 0 "[ . 1 . 2]" 1
348 1 59 ARG HA 1 63 LEU H . . 4.160 4.119 3.851 4.228 0.068 14 0 "[ . 1 . 2]" 1
349 1 61 ARG HA 1 64 HIS HB2 . . 4.740 3.593 2.555 4.657 . 0 0 "[ . 1 . 2]" 1
350 1 61 ARG HA 1 64 HIS HB3 . . 4.740 3.361 2.593 4.767 0.027 2 0 "[ . 1 . 2]" 1
351 1 62 ALA HA 1 64 HIS H . . 5.240 4.200 3.834 4.576 . 0 0 "[ . 1 . 2]" 1
352 1 63 LEU HA 1 66 LYS H . . 5.100 3.553 3.175 3.812 . 0 0 "[ . 1 . 2]" 1
353 1 25 GLU HA 1 26 ASN HA . . 4.880 4.602 4.454 4.714 . 0 0 "[ . 1 . 2]" 1
354 1 11 PHE H 1 12 MET HA . . 6.000 5.418 5.352 5.462 . 0 0 "[ . 1 . 2]" 1
355 1 13 VAL HB 1 14 TRP HA . . 4.960 4.236 4.099 4.458 . 0 0 "[ . 1 . 2]" 1
356 1 26 ASN HA 1 28 LYS H . . 6.000 3.977 3.160 4.771 . 0 0 "[ . 1 . 2]" 1
357 1 27 PRO HA 1 29 MET H . . 4.810 3.479 3.003 3.884 . 0 0 "[ . 1 . 2]" 1
358 1 23 ALA HA 1 27 PRO HA . . 4.990 2.640 2.145 3.855 . 0 0 "[ . 1 . 2]" 1
359 1 39 GLY HA2 1 40 ALA HA . . 5.100 4.754 4.733 4.789 . 0 0 "[ . 1 . 2]" 1
360 1 39 GLY HA3 1 40 ALA HA . . 5.100 4.335 4.283 4.369 . 0 0 "[ . 1 . 2]" 1
361 1 62 ALA HA 1 65 MET H . . 4.700 3.300 3.017 3.733 . 0 0 "[ . 1 . 2]" 1
362 1 46 SER HA 1 47 GLU HA . . 4.420 4.299 4.248 4.420 . 0 0 "[ . 1 . 2]" 1
363 1 69 PRO HA 1 71 TYR H . . 4.670 3.986 3.270 4.756 0.086 5 0 "[ . 1 . 2]" 1
364 1 28 LYS H 1 29 MET HA . . 5.210 4.967 4.768 5.214 0.004 1 0 "[ . 1 . 2]" 1
365 1 27 PRO HA 1 28 LYS HA . . 4.630 4.594 4.405 4.744 0.114 15 0 "[ . 1 . 2]" 1
366 1 43 LYS HA 1 45 LEU H . . 4.600 3.886 3.588 4.365 . 0 0 "[ . 1 . 2]" 1
367 1 63 LEU H 1 63 LEU HB3 . . 4.060 3.589 3.577 3.596 . 0 0 "[ . 1 . 2]" 1
368 1 3 ARG HB3 1 4 VAL H . . 4.560 3.284 1.858 4.271 . 0 0 "[ . 1 . 2]" 1
369 1 12 MET HB2 1 13 VAL H . . 4.960 2.765 2.586 3.965 . 0 0 "[ . 1 . 2]" 1
370 1 50 LYS HB2 1 51 ARG H . . 5.780 3.837 3.085 4.250 . 0 0 "[ . 1 . 2]" 1
371 1 55 ASP HB2 1 56 GLU H . . 4.630 3.680 2.616 4.009 . 0 0 "[ . 1 . 2]" 1
372 1 56 GLU HB3 1 57 ALA H . . 5.570 3.432 2.526 4.255 . 0 0 "[ . 1 . 2]" 1
373 1 63 LEU HB3 1 64 HIS H . . 4.670 3.779 3.601 3.947 . 0 0 "[ . 1 . 2]" 1
374 1 71 TYR HB3 1 72 LYS H . . 4.810 4.046 2.628 4.683 . 0 0 "[ . 1 . 2]" 1
375 1 38 LEU HA 1 41 GLU H . . 6.000 3.405 3.071 3.726 . 0 0 "[ . 1 . 2]" 1
376 1 52 PRO HA 1 55 ASP HB2 . . 4.380 2.814 2.327 3.734 . 0 0 "[ . 1 . 2]" 1
377 1 55 ASP HA 1 57 ALA H . . 6.000 4.219 4.061 4.385 . 0 0 "[ . 1 . 2]" 1
378 1 60 LEU HA 1 63 LEU HB2 . . 3.950 2.737 2.391 3.416 . 0 0 "[ . 1 . 2]" 1
379 1 56 GLU HA 1 57 ALA HA . . 5.350 4.840 4.800 4.871 . 0 0 "[ . 1 . 2]" 1
380 1 63 LEU HA 1 64 HIS HA . . 4.310 4.572 4.512 4.620 0.310 16 0 "[ . 1 . 2]" 1
381 1 53 PHE H 1 54 ILE HA . . 5.210 5.218 5.137 5.258 0.048 18 0 "[ . 1 . 2]" 1
382 1 15 SER HA 1 16 ARG HA . . 5.750 4.623 4.560 4.702 . 0 0 "[ . 1 . 2]" 1
383 1 34 ILE HA 1 36 LYS H . . 6.000 4.293 4.187 4.425 . 0 0 "[ . 1 . 2]" 1
384 1 5 LYS HA 1 5 LYS HG2 . . 4.090 3.242 2.462 3.723 . 0 0 "[ . 1 . 2]" 1
385 1 5 LYS HA 1 5 LYS HG3 . . 4.090 3.017 2.376 3.942 . 0 0 "[ . 1 . 2]" 1
386 1 51 ARG HB2 1 52 PRO HD3 . . 6.270 3.324 1.800 3.793 . 0 0 "[ . 1 . 2]" 1
387 1 12 MET H 1 12 MET HG2 . . 5.640 3.323 2.157 4.559 . 0 0 "[ . 1 . 2]" 1
388 1 12 MET H 1 12 MET HG3 . . 5.640 3.298 2.226 4.374 . 0 0 "[ . 1 . 2]" 1
389 1 14 TRP HA 1 53 PHE QD . . 5.930 4.435 3.890 4.765 . 0 0 "[ . 1 . 2]" 1
390 1 4 VAL HA 1 5 LYS HE2 . . 6.000 5.164 3.606 6.047 0.047 1 0 "[ . 1 . 2]" 1
391 1 4 VAL HA 1 5 LYS HE3 . . 6.000 5.278 4.166 6.138 0.138 6 0 "[ . 1 . 2]" 1
392 1 25 GLU HA 1 25 GLU HG2 . . 3.730 2.544 2.375 3.094 . 0 0 "[ . 1 . 2]" 1
393 1 25 GLU HA 1 25 GLU HG3 . . 3.730 3.119 2.862 3.736 0.006 9 0 "[ . 1 . 2]" 1
394 1 63 LEU HA 1 63 LEU HG . . 4.020 3.108 3.003 3.232 . 0 0 "[ . 1 . 2]" 1
395 1 19 ARG HA 1 34 ILE HB . . 6.000 4.909 3.512 6.058 0.058 4 0 "[ . 1 . 2]" 1
396 1 42 TRP HA 1 42 TRP HE3 . . 4.810 3.600 3.385 4.469 . 0 0 "[ . 1 . 2]" 1
397 1 14 TRP HZ3 1 42 TRP HA . . 6.000 4.411 3.583 4.903 . 0 0 "[ . 1 . 2]" 1
398 1 14 TRP HE3 1 42 TRP HB2 . . 6.000 3.992 2.655 4.959 . 0 0 "[ . 1 . 2]" 1
399 1 14 TRP HE3 1 42 TRP HB3 . . 6.000 5.526 4.209 6.011 0.011 18 0 "[ . 1 . 2]" 1
400 1 47 GLU H 1 47 GLU HG2 . . 5.350 3.077 1.908 4.578 . 0 0 "[ . 1 . 2]" 1
401 1 45 LEU HG 1 50 LYS HG3 . . 6.000 4.326 2.636 5.834 . 0 0 "[ . 1 . 2]" 1
402 1 51 ARG HB3 1 52 PRO HD2 . . 6.270 3.186 2.576 4.928 . 0 0 "[ . 1 . 2]" 1
403 1 50 LYS HD3 1 54 ILE HG12 . . 6.430 4.807 3.092 6.025 . 0 0 "[ . 1 . 2]" 1
404 1 59 ARG HA 1 59 ARG HD2 . . 4.880 3.977 2.229 4.898 0.018 11 0 "[ . 1 . 2]" 1
405 1 59 ARG HA 1 59 ARG HD3 . . 4.880 4.149 2.213 4.819 . 0 0 "[ . 1 . 2]" 1
406 1 7 PRO HA 1 60 LEU HG . . 5.960 5.608 4.648 6.064 0.104 5 0 "[ . 1 . 2]" 1
407 1 12 MET HG2 1 13 VAL H . . 6.000 4.781 4.074 5.206 . 0 0 "[ . 1 . 2]" 1
408 1 12 MET HG3 1 13 VAL H . . 6.000 4.707 3.699 5.048 . 0 0 "[ . 1 . 2]" 1
409 1 11 PHE QE 1 15 SER HA . . 8.130 6.310 5.976 6.668 . 0 0 "[ . 1 . 2]" 1
410 1 11 PHE QE 1 15 SER HB2 . . 8.130 5.257 4.299 6.435 . 0 0 "[ . 1 . 2]" 1
411 1 11 PHE QE 1 15 SER HB3 . . 8.130 5.713 5.077 6.523 . 0 0 "[ . 1 . 2]" 1
412 1 33 GLU HG2 1 34 ILE H . . 6.000 3.890 1.902 5.047 . 0 0 "[ . 1 . 2]" 1
413 1 56 GLU HG2 1 57 ALA H . . 6.000 4.506 3.003 5.257 . 0 0 "[ . 1 . 2]" 1
414 1 56 GLU HG3 1 57 ALA H . . 6.000 4.769 2.847 5.211 . 0 0 "[ . 1 . 2]" 1
415 1 63 LEU HG 1 64 HIS H . . 6.000 4.423 4.166 4.505 . 0 0 "[ . 1 . 2]" 1
416 1 11 PHE QE 1 12 MET HA . . 8.130 4.724 4.520 5.047 . 0 0 "[ . 1 . 2]" 1
417 1 59 ARG HA 1 59 ARG HE . . 4.630 4.502 3.074 5.009 0.379 5 0 "[ . 1 . 2]" 1
418 1 26 ASN HA 1 27 PRO HD3 . . 3.620 2.377 1.871 2.691 . 0 0 "[ . 1 . 2]" 1
419 1 26 ASN HA 1 27 PRO HD2 . . 3.620 2.221 1.845 2.601 . 0 0 "[ . 1 . 2]" 1
420 1 6 ARG HB2 1 7 PRO HD2 . . 6.700 3.073 2.092 4.528 . 0 0 "[ . 1 . 2]" 1
421 1 10 ALA HA 1 53 PHE QD . . 6.000 3.162 2.925 3.688 . 0 0 "[ . 1 . 2]" 1
422 1 8 MET HG3 1 9 ASN QD . . 6.000 3.695 1.886 5.343 . 0 0 "[ . 1 . 2]" 1
423 1 14 TRP HA 1 53 PHE QE . . 5.030 4.775 2.958 4.995 . 0 0 "[ . 1 . 2]" 1
424 1 14 TRP HH2 1 18 GLN HG2 . . 6.000 4.797 4.127 6.075 0.075 8 0 "[ . 1 . 2]" 1
425 1 14 TRP HH2 1 18 GLN HG3 . . 6.000 5.644 4.241 6.119 0.119 10 0 "[ . 1 . 2]" 1
426 1 59 ARG H 1 60 LEU HG . . 5.600 4.328 3.967 4.688 . 0 0 "[ . 1 . 2]" 1
427 1 26 ASN H 1 27 PRO HD2 . . 6.000 4.326 4.049 4.790 . 0 0 "[ . 1 . 2]" 1
428 1 26 ASN H 1 27 PRO HD3 . . 6.000 3.281 2.924 3.654 . 0 0 "[ . 1 . 2]" 1
429 1 11 PHE QE 1 39 GLY HA3 . . 7.840 4.988 4.147 5.509 . 0 0 "[ . 1 . 2]" 1
430 1 14 TRP HH2 1 42 TRP HA . . 6.000 5.598 4.569 6.076 0.076 5 0 "[ . 1 . 2]" 1
431 1 47 GLU HA 1 50 LYS HG2 . . 6.000 4.344 3.025 5.231 . 0 0 "[ . 1 . 2]" 1
432 1 47 GLU HA 1 50 LYS HG3 . . 6.000 3.488 1.775 4.723 . 0 0 "[ . 1 . 2]" 1
433 1 13 VAL HB 1 53 PHE HA . . 5.240 4.122 3.521 4.628 . 0 0 "[ . 1 . 2]" 1
434 1 70 ASP HA 1 71 TYR QD . . 8.130 5.381 3.019 6.478 . 0 0 "[ . 1 . 2]" 1
435 1 72 LYS HA 1 73 TYR QD . . 6.000 4.816 3.505 5.931 . 0 0 "[ . 1 . 2]" 1
436 1 69 PRO HB2 1 70 ASP HB3 . . 7.770 5.419 3.716 6.606 . 0 0 "[ . 1 . 2]" 1
437 1 69 PRO HB2 1 70 ASP HB2 . . 7.770 5.167 3.470 6.444 . 0 0 "[ . 1 . 2]" 1
438 1 6 ARG HB3 1 7 PRO HD2 . . 6.700 3.341 2.002 4.175 . 0 0 "[ . 1 . 2]" 1
439 1 63 LEU HA 1 66 LYS HE3 . . 5.930 4.627 2.545 6.021 0.091 8 0 "[ . 1 . 2]" 1
440 1 63 LEU HA 1 66 LYS HE2 . . 5.930 4.797 2.775 5.944 0.014 17 0 "[ . 1 . 2]" 1
441 1 43 LYS HA 1 43 LYS HD3 . . 4.310 3.665 1.880 4.563 0.253 2 0 "[ . 1 . 2]" 1
442 1 43 LYS HA 1 43 LYS HD2 . . 4.310 3.606 1.964 4.557 0.247 5 0 "[ . 1 . 2]" 1
443 1 50 LYS HB2 1 54 ILE HG12 . . 7.760 5.812 3.935 6.923 . 0 0 "[ . 1 . 2]" 1
444 1 50 LYS HB3 1 54 ILE HG12 . . 7.760 4.792 3.283 6.057 . 0 0 "[ . 1 . 2]" 1
445 1 45 LEU HG 1 50 LYS HG2 . . 6.000 4.945 3.291 6.061 0.061 19 0 "[ . 1 . 2]" 1
446 1 50 LYS HG2 1 54 ILE HG12 . . 7.760 4.621 2.813 5.862 . 0 0 "[ . 1 . 2]" 1
447 1 50 LYS HD2 1 54 ILE HG12 . . 6.430 5.006 2.904 6.467 0.037 7 0 "[ . 1 . 2]" 1
448 1 50 LYS HG3 1 54 ILE HG12 . . 7.760 5.739 4.457 6.717 . 0 0 "[ . 1 . 2]" 1
449 1 45 LEU HG 1 46 SER HA . . 6.000 4.338 3.768 6.098 0.098 9 0 "[ . 1 . 2]" 1
450 1 58 LYS H 1 58 LYS HD2 . . 6.000 4.473 3.606 4.950 . 0 0 "[ . 1 . 2]" 1
451 1 58 LYS H 1 58 LYS HE2 . . 6.000 4.467 3.541 5.877 . 0 0 "[ . 1 . 2]" 1
452 1 58 LYS H 1 58 LYS HE3 . . 6.000 4.568 3.687 5.967 . 0 0 "[ . 1 . 2]" 1
453 1 60 LEU HA 1 63 LEU HG . . 4.060 3.325 2.495 4.092 0.032 2 0 "[ . 1 . 2]" 1
454 1 9 ASN QD 1 12 MET HA . . 6.000 4.718 4.078 5.191 . 0 0 "[ . 1 . 2]" 1
455 1 56 GLU HA 1 59 ARG HD2 . . 6.000 3.494 2.099 5.106 . 0 0 "[ . 1 . 2]" 1
456 1 56 GLU HA 1 59 ARG HD3 . . 6.000 3.540 2.025 5.018 . 0 0 "[ . 1 . 2]" 1
457 1 47 GLU H 1 47 GLU HG3 . . 5.350 3.501 1.788 4.500 . 0 0 "[ . 1 . 2]" 1
458 1 14 TRP HZ2 1 38 LEU HG . . 5.210 4.565 3.637 5.091 . 0 0 "[ . 1 . 2]" 1
459 1 14 TRP HH2 1 38 LEU HG . . 3.700 3.643 3.112 3.791 0.091 4 0 "[ . 1 . 2]" 1
460 1 29 MET HG3 1 30 HIS H . . 6.000 4.225 2.478 5.125 . 0 0 "[ . 1 . 2]" 1
461 1 50 LYS HD2 1 54 ILE HG13 . . 6.430 5.371 3.930 6.588 0.158 7 0 "[ . 1 . 2]" 1
462 1 14 TRP HH2 1 38 LEU HA . . 5.170 3.175 2.413 3.928 . 0 0 "[ . 1 . 2]" 1
463 1 8 MET HA 1 8 MET ME . . 4.930 4.006 3.779 4.516 . 0 0 "[ . 1 . 2]" 1
464 1 29 MET H 1 29 MET ME . . 5.900 3.684 3.159 4.308 . 0 0 "[ . 1 . 2]" 1
465 1 29 MET HA 1 29 MET ME . . 5.540 3.936 1.726 5.199 . 0 0 "[ . 1 . 2]" 1
466 1 19 ARG HA 1 34 ILE MG . . 4.430 2.757 1.766 3.591 . 0 0 "[ . 1 . 2]" 1
467 1 22 MET ME 1 34 ILE MG . . 5.370 3.125 2.118 4.378 . 0 0 "[ . 1 . 2]" 1
468 1 34 ILE H 1 34 ILE MD . . 5.400 3.378 2.670 3.613 . 0 0 "[ . 1 . 2]" 1
469 1 22 MET ME 1 34 ILE MD . . 6.130 3.269 1.758 4.986 . 0 0 "[ . 1 . 2]" 1
470 1 29 MET HG2 1 34 ILE MD . . 5.400 3.487 1.901 5.177 . 0 0 "[ . 1 . 2]" 1
471 1 22 MET HB3 1 38 LEU QD . . 8.780 5.497 4.888 6.716 . 0 0 "[ . 1 . 2]" 1
472 1 44 LEU HA 1 44 LEU MD1 . . 4.250 2.623 1.878 3.862 . 0 0 "[ . 1 . 2]" 1
473 1 43 LYS HB3 1 44 LEU MD1 . . 7.010 3.515 2.036 4.950 . 0 0 "[ . 1 . 2]" 1
474 1 44 LEU HA 1 44 LEU MD2 . . 4.250 3.355 2.035 3.867 . 0 0 "[ . 1 . 2]" 1
475 1 10 ALA MB 1 50 LYS HA . . 5.510 4.439 3.332 5.352 . 0 0 "[ . 1 . 2]" 1
476 1 13 VAL QG 1 53 PHE HB2 . . 8.780 4.676 3.410 5.608 . 0 0 "[ . 1 . 2]" 1
477 1 54 ILE MG 1 58 LYS HG3 . . 4.320 3.198 2.451 4.058 . 0 0 "[ . 1 . 2]" 1
478 1 54 ILE HA 1 57 ALA MB . . 4.430 2.521 2.306 2.843 . 0 0 "[ . 1 . 2]" 1
479 1 60 LEU H 1 60 LEU MD2 . . 5.470 3.186 2.897 3.322 . 0 0 "[ . 1 . 2]" 1
480 1 46 SER HA 1 48 THR MG . . 6.950 4.622 3.935 6.686 . 0 0 "[ . 1 . 2]" 1
481 1 8 MET ME 1 9 ASN H . . 5.150 3.400 2.953 5.046 . 0 0 "[ . 1 . 2]" 1
482 1 22 MET H 1 22 MET ME . . 6.050 4.378 3.726 5.592 . 0 0 "[ . 1 . 2]" 1
483 1 29 MET ME 1 30 HIS H . . 7.020 5.285 3.074 6.134 . 0 0 "[ . 1 . 2]" 1
484 1 19 ARG H 1 34 ILE MG . . 5.610 3.708 3.204 4.273 . 0 0 "[ . 1 . 2]" 1
485 1 34 ILE MD 1 35 SER H . . 7.020 4.652 4.452 4.774 . 0 0 "[ . 1 . 2]" 1
486 1 44 LEU MD1 1 45 LEU H . . 7.020 4.506 4.256 5.556 . 0 0 "[ . 1 . 2]" 1
487 1 44 LEU MD2 1 45 LEU H . . 7.020 5.153 4.300 5.627 . 0 0 "[ . 1 . 2]" 1
488 1 45 LEU MD1 1 46 SER H . . 7.020 2.845 2.315 4.307 . 0 0 "[ . 1 . 2]" 1
489 1 45 LEU MD2 1 46 SER H . . 7.020 4.257 1.986 4.974 . 0 0 "[ . 1 . 2]" 1
490 1 48 THR MG 1 49 GLU H . . 5.510 2.450 2.081 4.083 . 0 0 "[ . 1 . 2]" 1
491 1 60 LEU MD1 1 61 ARG H . . 7.020 4.190 2.249 4.674 . 0 0 "[ . 1 . 2]" 1
492 1 60 LEU MD2 1 61 ARG H . . 7.020 4.553 4.167 4.668 . 0 0 "[ . 1 . 2]" 1
493 1 63 LEU MD2 1 64 HIS H . . 6.880 4.670 4.550 4.769 . 0 0 "[ . 1 . 2]" 1
494 1 37 ARG HA 1 40 ALA MB . . 4.790 2.791 2.348 3.045 . 0 0 "[ . 1 . 2]" 1
495 1 22 MET ME 1 34 ILE HA . . 4.680 4.014 3.043 5.294 0.614 5 1 "[ + 1 . 2]" 1
496 1 59 ARG HA 1 62 ALA MB . . 4.680 2.708 2.168 3.194 . 0 0 "[ . 1 . 2]" 1
497 1 23 ALA MB 1 27 PRO HA . . 6.330 3.760 3.093 5.049 . 0 0 "[ . 1 . 2]" 1
498 1 23 ALA H 1 34 ILE MD . . 6.300 4.603 3.420 5.883 . 0 0 "[ . 1 . 2]" 1
499 1 29 MET HG3 1 34 ILE MD . . 5.400 3.839 2.290 5.339 . 0 0 "[ . 1 . 2]" 1
500 1 23 ALA MB 1 34 ILE MD . . 6.600 4.300 3.106 5.288 . 0 0 "[ . 1 . 2]" 1
501 1 14 TRP HZ3 1 38 LEU QD . . 5.160 3.287 2.741 3.651 . 0 0 "[ . 1 . 2]" 1
502 1 42 TRP HZ3 1 45 LEU MD1 . . 7.020 5.325 3.906 7.004 . 0 0 "[ . 1 . 2]" 1
503 1 15 SER HA 1 38 LEU QD . . 6.090 2.087 1.740 4.181 . 0 0 "[ . 1 . 2]" 1
504 1 22 MET HB2 1 38 LEU QD . . 8.780 5.018 4.055 6.099 . 0 0 "[ . 1 . 2]" 1
505 1 19 ARG HA 1 38 LEU QD . . 5.320 4.237 3.497 5.009 . 0 0 "[ . 1 . 2]" 1
506 1 15 SER HB3 1 38 LEU QD . . 8.780 4.090 3.156 5.997 . 0 0 "[ . 1 . 2]" 1
507 1 15 SER HB2 1 38 LEU QD . . 8.780 4.068 2.569 6.489 . 0 0 "[ . 1 . 2]" 1
508 1 18 GLN HG2 1 38 LEU QD . . 6.800 2.704 1.798 3.776 . 0 0 "[ . 1 . 2]" 1
509 1 45 LEU MD1 1 50 LYS HG3 . . 8.290 4.054 2.675 5.550 . 0 0 "[ . 1 . 2]" 1
510 1 13 VAL QG 1 53 PHE QD . . 5.090 3.793 1.975 4.025 . 0 0 "[ . 1 . 2]" 1
511 1 13 VAL QG 1 53 PHE QE . . 6.170 5.129 3.429 5.419 . 0 0 "[ . 1 . 2]" 1
512 1 10 ALA HA 1 13 VAL QG . . 4.920 2.417 1.654 2.825 . 0 0 "[ . 1 . 2]" 1
513 1 13 VAL QG 1 53 PHE HA . . 5.220 3.151 2.574 3.795 . 0 0 "[ . 1 . 2]" 1
514 1 22 MET HB3 1 34 ILE MG . . 7.020 4.471 3.284 5.395 . 0 0 "[ . 1 . 2]" 1
515 1 22 MET HB2 1 34 ILE MG . . 7.020 4.333 3.023 6.071 . 0 0 "[ . 1 . 2]" 1
516 1 22 MET HA 1 34 ILE MG . . 6.260 6.419 5.411 7.318 1.058 12 8 "[ ** * - + ** * 2]" 1
517 1 34 ILE MG 1 35 SER HA . . 6.690 3.413 3.031 3.817 . 0 0 "[ . 1 . 2]" 1
518 1 34 ILE MG 1 38 LEU HA . . 6.260 4.994 4.441 5.239 . 0 0 "[ . 1 . 2]" 1
519 1 22 MET H 1 34 ILE MG . . 6.590 5.484 4.452 6.340 . 0 0 "[ . 1 . 2]" 1
520 1 26 ASN QD 1 34 ILE MG . . 7.020 6.159 4.998 7.369 0.349 16 0 "[ . 1 . 2]" 1
521 1 34 ILE MG 1 38 LEU H . . 7.020 3.916 3.642 4.147 . 0 0 "[ . 1 . 2]" 1
522 1 54 ILE MG 1 55 ASP HB3 . . 7.020 5.557 5.244 5.774 . 0 0 "[ . 1 . 2]" 1
523 1 42 TRP HZ3 1 45 LEU MD2 . . 7.020 3.901 2.981 6.213 . 0 0 "[ . 1 . 2]" 1
524 1 42 TRP HE3 1 45 LEU MD2 . . 7.020 3.474 2.513 5.632 . 0 0 "[ . 1 . 2]" 1
525 1 42 TRP HE3 1 45 LEU MD1 . . 7.020 4.700 3.102 6.391 . 0 0 "[ . 1 . 2]" 1
526 1 45 LEU MD2 1 49 GLU HG3 . . 8.780 5.792 3.307 6.937 . 0 0 "[ . 1 . 2]" 1
527 1 45 LEU MD2 1 49 GLU HB2 . . 10.110 4.010 1.815 5.550 . 0 0 "[ . 1 . 2]" 1
528 1 45 LEU MD2 1 49 GLU HB3 . . 10.110 4.475 2.432 5.383 . 0 0 "[ . 1 . 2]" 1
529 1 45 LEU MD2 1 50 LYS HG3 . . 8.290 3.510 2.320 5.576 . 0 0 "[ . 1 . 2]" 1
530 1 8 MET ME 1 11 PHE QD . . 9.150 5.869 4.114 7.439 . 0 0 "[ . 1 . 2]" 1
531 1 9 ASN HA 1 10 ALA MB . . 6.330 4.092 3.994 4.292 . 0 0 "[ . 1 . 2]" 1
532 1 9 ASN HA 1 57 ALA MB . . 5.400 4.722 3.614 5.791 0.391 7 0 "[ . 1 . 2]" 1
533 1 10 ALA MB 1 14 TRP H . . 6.660 4.265 3.969 4.528 . 0 0 "[ . 1 . 2]" 1
534 1 10 ALA MB 1 53 PHE QD . . 5.040 2.057 1.735 3.101 . 0 0 "[ . 1 . 2]" 1
535 1 10 ALA MB 1 13 VAL H . . 7.020 4.578 4.427 4.747 . 0 0 "[ . 1 . 2]" 1
536 1 10 ALA MB 1 42 TRP HZ3 . . 7.020 3.657 2.540 5.845 . 0 0 "[ . 1 . 2]" 1
537 1 10 ALA MB 1 11 PHE HA . . 7.020 3.747 3.641 3.829 . 0 0 "[ . 1 . 2]" 1
538 1 10 ALA MB 1 13 VAL HB . . 5.940 3.693 3.256 5.486 . 0 0 "[ . 1 . 2]" 1
539 1 10 ALA MB 1 54 ILE MD . . 6.740 2.570 2.150 3.532 . 0 0 "[ . 1 . 2]" 1
540 1 18 GLN HB3 1 38 LEU QD . . 9.780 2.185 1.765 2.693 . 0 0 "[ . 1 . 2]" 1
541 1 18 GLN HG3 1 38 LEU QD . . 6.800 2.866 2.260 3.810 . 0 0 "[ . 1 . 2]" 1
542 1 19 ARG H 1 22 MET ME . . 6.690 5.371 4.059 7.225 0.535 17 1 "[ . 1 . + 2]" 1
543 1 14 TRP HH2 1 22 MET ME . . 6.260 5.674 4.292 6.786 0.526 16 1 "[ . 1 .+ 2]" 1
544 1 22 MET ME 1 37 ARG HA . . 6.480 6.808 5.610 7.551 1.071 10 10 "[ **** * *+ .* -*]" 1
545 1 19 ARG HA 1 22 MET ME . . 5.220 4.331 2.424 6.298 1.078 17 1 "[ . 1 . + 2]" 1
546 1 23 ALA HA 1 29 MET ME . . 6.480 6.618 5.604 7.555 1.075 14 5 "[ * .* 1* -+. 2]" 1
547 1 23 ALA HA 1 34 ILE MG . . 7.020 6.945 5.849 7.908 0.888 3 3 "[ + - * 1 . 2]" 1
548 1 23 ALA HA 1 34 ILE MD . . 4.720 4.856 3.573 5.772 1.052 7 6 "[ -* . + * .* * 2]" 1
549 1 23 ALA MB 1 25 GLU H . . 6.410 4.542 4.363 4.737 . 0 0 "[ . 1 . 2]" 1
550 1 23 ALA MB 1 34 ILE MG . . 7.820 5.698 4.570 6.775 . 0 0 "[ . 1 . 2]" 1
551 1 23 ALA MB 1 24 GLN HA . . 4.610 3.923 3.843 3.997 . 0 0 "[ . 1 . 2]" 1
552 1 28 LYS H 1 29 MET ME . . 6.230 4.462 3.451 5.620 . 0 0 "[ . 1 . 2]" 1
553 1 26 ASN QD 1 29 MET ME . . 5.720 3.641 2.005 4.757 . 0 0 "[ . 1 . 2]" 1
554 1 26 ASN HA 1 29 MET ME . . 7.020 6.144 4.761 7.479 0.459 19 0 "[ . 1 . 2]" 1
555 1 40 ALA MB 1 41 GLU HG2 . . 6.690 3.480 3.275 4.039 . 0 0 "[ . 1 . 2]" 1
556 1 54 ILE MG 1 58 LYS HG2 . . 4.320 3.606 2.705 4.369 0.049 12 0 "[ . 1 . 2]" 1
557 1 39 GLY HA2 1 40 ALA MB . . 7.020 5.030 5.015 5.041 . 0 0 "[ . 1 . 2]" 1
558 1 39 GLY H 1 40 ALA MB . . 6.410 4.387 4.243 4.466 . 0 0 "[ . 1 . 2]" 1
559 1 40 ALA MB 1 43 LYS H . . 6.510 4.583 4.393 4.744 . 0 0 "[ . 1 . 2]" 1
560 1 38 LEU HA 1 40 ALA MB . . 7.020 5.039 4.675 5.293 . 0 0 "[ . 1 . 2]" 1
561 1 39 GLY HA3 1 40 ALA MB . . 7.020 4.360 4.312 4.437 . 0 0 "[ . 1 . 2]" 1
562 1 40 ALA MB 1 41 GLU HG3 . . 6.690 4.774 3.116 5.170 . 0 0 "[ . 1 . 2]" 1
563 1 38 LEU QD 1 41 GLU HG2 . . 10.110 4.394 3.488 6.921 . 0 0 "[ . 1 . 2]" 1
564 1 38 LEU QD 1 41 GLU HG3 . . 10.110 4.046 2.897 5.949 . 0 0 "[ . 1 . 2]" 1
565 1 45 LEU MD1 1 49 GLU HG2 . . 8.780 4.012 2.426 5.483 . 0 0 "[ . 1 . 2]" 1
566 1 13 VAL QG 1 56 GLU HG2 . . 9.080 3.636 2.429 4.453 . 0 0 "[ . 1 . 2]" 1
567 1 56 GLU HG2 1 60 LEU MD2 . . 9.240 5.976 4.223 6.943 . 0 0 "[ . 1 . 2]" 1
568 1 56 GLU HG3 1 60 LEU MD2 . . 9.240 5.166 3.197 6.534 . 0 0 "[ . 1 . 2]" 1
569 1 53 PHE QD 1 57 ALA MB . . 6.800 5.611 4.866 5.991 . 0 0 "[ . 1 . 2]" 1
570 1 13 VAL HB 1 57 ALA MB . . 5.900 3.662 3.200 3.905 . 0 0 "[ . 1 . 2]" 1
571 1 13 VAL QG 1 57 ALA MB . . 7.190 1.794 1.724 1.934 . 0 0 "[ . 1 . 2]" 1
572 1 54 ILE MG 1 57 ALA MB . . 8.040 3.173 2.922 3.493 . 0 0 "[ . 1 . 2]" 1
573 1 62 ALA HA 1 65 MET ME . . 4.970 2.905 1.776 5.020 0.050 6 0 "[ . 1 . 2]" 1
574 1 61 ARG H 1 62 ALA MB . . 5.900 4.336 4.198 4.480 . 0 0 "[ . 1 . 2]" 1
575 1 62 ALA MB 1 65 MET ME . . 8.040 3.562 2.121 5.760 . 0 0 "[ . 1 . 2]" 1
576 1 54 ILE MG 1 55 ASP HB2 . . 7.020 4.815 4.573 5.349 . 0 0 "[ . 1 . 2]" 1
577 1 62 ALA MB 1 63 LEU MD2 . . 8.040 3.564 3.142 3.749 . 0 0 "[ . 1 . 2]" 1
578 1 13 VAL QG 1 56 GLU HG3 . . 9.080 3.402 1.768 4.324 . 0 0 "[ . 1 . 2]" 1
579 1 19 ARG HA 1 23 ALA MB . . 7.020 4.352 3.810 5.013 . 0 0 "[ . 1 . 2]" 1
580 1 63 LEU HA 1 63 LEU MD2 . . 3.560 2.007 1.959 2.137 . 0 0 "[ . 1 . 2]" 1
581 1 43 LYS HB2 1 44 LEU MD2 . . 7.010 4.742 2.289 6.876 . 0 0 "[ . 1 . 2]" 1
582 1 40 ALA MB 1 41 GLU HA . . 5.720 3.852 3.793 3.909 . 0 0 "[ . 1 . 2]" 1
583 1 18 GLN HB2 1 38 LEU QD . . 9.780 2.988 1.948 3.660 . 0 0 "[ . 1 . 2]" 1
584 1 29 MET HA 1 34 ILE MD . . 6.190 4.619 3.387 5.583 . 0 0 "[ . 1 . 2]" 1
585 1 28 LYS QG 1 29 MET ME . . 4.730 4.535 2.398 5.369 0.639 15 2 "[ . 1 + - 2]" 1
586 1 10 ALA MB 1 50 LYS HG2 . . 7.020 3.910 2.282 5.939 . 0 0 "[ . 1 . 2]" 1
587 1 10 ALA MB 1 50 LYS HG3 . . 7.020 4.544 2.462 6.505 . 0 0 "[ . 1 . 2]" 1
588 1 22 MET ME 1 38 LEU HA . . 5.360 5.730 4.396 6.416 1.056 4 10 "[ -*+. * ** *.* **2]" 1
589 1 56 GLU HA 1 57 ALA MB . . 6.510 5.023 4.963 5.064 . 0 0 "[ . 1 . 2]" 1
590 1 13 VAL QG 1 56 GLU HA . . 7.020 4.049 3.856 4.508 . 0 0 "[ . 1 . 2]" 1
591 1 54 ILE MG 1 55 ASP HA . . 5.040 3.695 3.589 3.801 . 0 0 "[ . 1 . 2]" 1
592 1 10 ALA MB 1 54 ILE HA . . 4.500 4.120 3.139 4.960 0.460 11 0 "[ . 1 . 2]" 1
593 1 11 PHE H 1 54 ILE MD . . 6.160 5.874 5.457 6.782 0.622 6 1 "[ .+ 1 . 2]" 1
594 1 53 PHE HA 1 57 ALA MB . . 7.020 4.865 4.597 5.166 . 0 0 "[ . 1 . 2]" 1
595 1 45 LEU MD2 1 50 LYS HG2 . . 8.290 3.717 2.173 5.429 . 0 0 "[ . 1 . 2]" 1
596 1 72 LYS H 1 73 TYR QD . . 6.000 4.675 1.986 5.979 . 0 0 "[ . 1 . 2]" 1
597 1 73 TYR HA 1 73 TYR QD . . 4.310 3.008 1.817 3.761 . 0 0 "[ . 1 . 2]" 1
598 1 11 PHE QD 1 12 MET H . . 8.130 3.425 3.226 3.677 . 0 0 "[ . 1 . 2]" 1
599 1 11 PHE QD 1 12 MET HA . . 8.130 3.529 3.174 3.979 . 0 0 "[ . 1 . 2]" 1
600 1 53 PHE QD 1 54 ILE H . . 6.000 4.217 4.015 4.690 . 0 0 "[ . 1 . 2]" 1
601 1 11 PHE QE 1 12 MET H . . 8.130 5.503 5.246 5.679 . 0 0 "[ . 1 . 2]" 1
602 1 11 PHE QE 1 38 LEU HA . . 8.130 6.700 5.563 7.292 . 0 0 "[ . 1 . 2]" 1
603 1 11 PHE HZ 1 39 GLY H . . 6.000 6.054 5.892 6.124 0.124 19 0 "[ . 1 . 2]" 1
604 1 12 MET H 1 42 TRP HH2 . . 6.000 5.897 5.432 6.113 0.113 11 0 "[ . 1 . 2]" 1
605 1 14 TRP HH2 1 41 GLU H . . 6.000 4.744 3.621 6.002 0.002 2 0 "[ . 1 . 2]" 1
606 1 14 TRP HZ3 1 41 GLU H . . 6.000 4.149 3.767 4.543 . 0 0 "[ . 1 . 2]" 1
607 1 14 TRP HE3 1 15 SER H . . 6.000 4.943 4.436 5.726 . 0 0 "[ . 1 . 2]" 1
608 1 14 TRP H 1 14 TRP HE3 . . 6.000 5.211 4.864 5.497 . 0 0 "[ . 1 . 2]" 1
609 1 11 PHE QE 1 14 TRP HE3 . . 8.130 5.231 4.391 5.965 . 0 0 "[ . 1 . 2]" 1
610 1 71 TYR HA 1 71 TYR HE1 . . 6.000 5.149 4.442 6.415 0.415 3 0 "[ . 1 . 2]" 1
611 1 11 PHE QE 1 39 GLY HA2 . . 7.840 3.592 3.009 4.140 . 0 0 "[ . 1 . 2]" 1
612 1 42 TRP HA 1 42 TRP HD1 . . 3.700 3.820 2.988 4.034 0.334 10 0 "[ . 1 . 2]" 1
613 1 14 TRP HZ3 1 42 TRP H . . 3.550 3.356 2.597 3.601 0.051 5 0 "[ . 1 . 2]" 1
614 1 14 TRP HZ3 1 38 LEU HA . . 3.440 2.261 1.758 2.967 . 0 0 "[ . 1 . 2]" 1
615 1 14 TRP HZ3 1 38 LEU HG . . 3.230 2.635 2.261 3.082 . 0 0 "[ . 1 . 2]" 1
616 1 13 VAL HB 1 53 PHE QD . . 3.340 3.494 3.380 3.578 0.238 4 0 "[ . 1 . 2]" 1
617 1 11 PHE QE 1 39 GLY H . . 6.840 5.722 5.412 6.182 . 0 0 "[ . 1 . 2]" 1
618 1 11 PHE QD 1 42 TRP HE3 . . 7.120 2.964 2.386 3.751 . 0 0 "[ . 1 . 2]" 1
619 1 11 PHE QD 1 42 TRP HZ3 . . 8.130 3.270 2.529 4.055 . 0 0 "[ . 1 . 2]" 1
620 1 11 PHE QD 1 15 SER H . . 8.130 5.356 5.208 5.469 . 0 0 "[ . 1 . 2]" 1
621 1 11 PHE QE 1 12 MET ME . . 8.930 4.000 2.883 6.354 . 0 0 "[ . 1 . 2]" 1
622 1 10 ALA MB 1 42 TRP HH2 . . 5.900 3.133 2.150 3.951 . 0 0 "[ . 1 . 2]" 1
623 1 2 ASP HA 1 3 ARG QG . . 6.880 4.230 3.630 5.815 . 0 0 "[ . 1 . 2]" 1
624 1 2 ASP QB 1 3 ARG HA . . 5.440 4.432 3.850 4.904 . 0 0 "[ . 1 . 2]" 1
625 1 2 ASP QB 1 3 ARG QB . . 7.760 5.017 3.772 5.618 . 0 0 "[ . 1 . 2]" 1
626 1 3 ARG H 1 3 ARG QB . . 3.450 2.632 2.231 3.202 . 0 0 "[ . 1 . 2]" 1
627 1 3 ARG H 1 3 ARG QG . . 3.390 2.600 1.905 3.228 . 0 0 "[ . 1 . 2]" 1
628 1 3 ARG HA 1 3 ARG QG . . 3.870 2.814 2.314 3.507 . 0 0 "[ . 1 . 2]" 1
629 1 3 ARG HA 1 4 VAL QG . . 6.880 3.431 3.183 3.823 . 0 0 "[ . 1 . 2]" 1
630 1 3 ARG QB 1 4 VAL H . . 3.930 2.776 1.844 3.274 . 0 0 "[ . 1 . 2]" 1
631 1 3 ARG QG 1 4 VAL H . . 5.120 3.956 3.501 4.586 . 0 0 "[ . 1 . 2]" 1
632 1 3 ARG QD 1 4 VAL H . . 6.660 4.769 3.449 5.705 . 0 0 "[ . 1 . 2]" 1
633 1 3 ARG QD 1 4 VAL QG . . 9.450 4.879 3.200 5.955 . 0 0 "[ . 1 . 2]" 1
634 1 4 VAL HA 1 5 LYS QG . . 5.150 4.005 3.027 5.148 . 0 0 "[ . 1 . 2]" 1
635 1 4 VAL HA 1 5 LYS QE . . 5.820 4.520 3.547 5.262 . 0 0 "[ . 1 . 2]" 1
636 1 4 VAL QG 1 5 LYS H . . 7.710 2.997 2.108 3.650 . 0 0 "[ . 1 . 2]" 1
637 1 4 VAL QG 1 6 ARG H . . 8.570 4.323 3.143 5.542 . 0 0 "[ . 1 . 2]" 1
638 1 5 LYS HA 1 5 LYS QG . . 3.580 2.616 2.345 3.196 . 0 0 "[ . 1 . 2]" 1
639 1 5 LYS QG 1 6 ARG H . . 6.740 4.327 3.600 4.948 . 0 0 "[ . 1 . 2]" 1
640 1 6 ARG H 1 6 ARG QB . . 3.620 2.600 2.290 2.968 . 0 0 "[ . 1 . 2]" 1
641 1 6 ARG H 1 6 ARG QG . . 3.390 2.472 1.896 4.041 0.651 8 1 "[ . + 1 . 2]" 1
642 1 6 ARG H 1 6 ARG QD . . 5.330 3.945 2.135 4.505 . 0 0 "[ . 1 . 2]" 1
643 1 6 ARG H 1 7 PRO QD . . 6.890 4.366 4.302 4.429 . 0 0 "[ . 1 . 2]" 1
644 1 6 ARG QB 1 7 PRO QD . . 5.240 2.392 1.966 3.382 . 0 0 "[ . 1 . 2]" 1
645 1 6 ARG HB2 1 7 PRO HD3 . . 6.700 3.787 2.924 4.540 . 0 0 "[ . 1 . 2]" 1
646 1 6 ARG HB3 1 7 PRO HD3 . . 6.700 3.878 3.066 4.771 . 0 0 "[ . 1 . 2]" 1
647 1 7 PRO HA 1 60 LEU QB . . 4.400 3.625 2.692 4.899 0.499 14 0 "[ . 1 . 2]" 1
648 1 7 PRO HA 1 60 LEU QD . . 8.460 3.378 1.859 4.136 . 0 0 "[ . 1 . 2]" 1
649 1 8 MET H 1 8 MET QB . . 3.880 2.615 2.122 3.044 . 0 0 "[ . 1 . 2]" 1
650 1 8 MET H 1 13 VAL QG . . 8.570 2.951 2.520 3.465 . 0 0 "[ . 1 . 2]" 1
651 1 8 MET H 1 60 LEU QD . . 6.620 3.535 2.633 4.406 . 0 0 "[ . 1 . 2]" 1
652 1 8 MET HA 1 9 ASN QB . . 6.200 4.558 4.437 4.669 . 0 0 "[ . 1 . 2]" 1
653 1 8 MET QB 1 11 PHE QB . . 7.760 5.999 5.186 6.439 . 0 0 "[ . 1 . 2]" 1
654 1 8 MET QB 1 13 VAL H . . 6.230 3.776 3.399 4.661 . 0 0 "[ . 1 . 2]" 1
655 1 8 MET QG 1 9 ASN H . . 4.470 2.140 1.742 3.637 . 0 0 "[ . 1 . 2]" 1
656 1 8 MET QG 1 9 ASN QD . . 5.670 3.418 1.875 4.149 . 0 0 "[ . 1 . 2]" 1
657 1 8 MET QG 1 11 PHE QD . . 8.360 5.765 5.187 6.957 . 0 0 "[ . 1 . 2]" 1
658 1 9 ASN H 1 12 MET QG . . 6.880 4.703 3.917 5.436 . 0 0 "[ . 1 . 2]" 1
659 1 9 ASN QB 1 10 ALA H . . 4.400 2.435 1.792 2.664 . 0 0 "[ . 1 . 2]" 1
660 1 9 ASN QB 1 10 ALA MB . . 6.100 3.713 3.268 3.957 . 0 0 "[ . 1 . 2]" 1
661 1 9 ASN QB 1 11 PHE H . . 4.420 3.393 3.170 3.849 . 0 0 "[ . 1 . 2]" 1
662 1 9 ASN QB 1 54 ILE MD . . 7.900 5.142 3.891 6.612 . 0 0 "[ . 1 . 2]" 1
663 1 9 ASN QD 1 11 PHE QB . . 5.370 2.298 1.887 2.963 . 0 0 "[ . 1 . 2]" 1
664 1 9 ASN QD 1 12 MET QB . . 6.880 3.478 2.518 4.237 . 0 0 "[ . 1 . 2]" 1
665 1 9 ASN QD 1 12 MET QG . . 5.480 3.106 1.937 4.904 . 0 0 "[ . 1 . 2]" 1
666 1 10 ALA H 1 13 VAL QG . . 7.340 3.620 3.343 3.913 . 0 0 "[ . 1 . 2]" 1
667 1 10 ALA HA 1 53 PHE QB . . 6.200 2.758 2.081 3.967 . 0 0 "[ . 1 . 2]" 1
668 1 10 ALA MB 1 13 VAL QG . . 9.590 3.492 2.935 3.856 . 0 0 "[ . 1 . 2]" 1
669 1 10 ALA MB 1 50 LYS QD . . 7.290 3.855 2.511 5.204 . 0 0 "[ . 1 . 2]" 1
670 1 10 ALA MB 1 53 PHE QB . . 7.900 1.798 1.677 2.311 . 0 0 "[ . 1 . 2]" 1
671 1 10 ALA MB 1 54 ILE QG . . 6.240 3.815 3.393 4.462 . 0 0 "[ . 1 . 2]" 1
672 1 11 PHE QB 1 12 MET H . . 3.890 2.413 2.355 2.483 . 0 0 "[ . 1 . 2]" 1
673 1 11 PHE QD 1 12 MET QG . . 9.010 3.104 2.501 5.428 . 0 0 "[ . 1 . 2]" 1
674 1 11 PHE QD 1 39 GLY QA . . 8.680 5.418 4.750 5.874 . 0 0 "[ . 1 . 2]" 1
675 1 11 PHE QE 1 38 LEU QB . . 7.030 4.950 3.864 5.620 . 0 0 "[ . 1 . 2]" 1
676 1 11 PHE QE 1 39 GLY QA . . 7.070 3.514 2.954 4.027 . 0 0 "[ . 1 . 2]" 1
677 1 11 PHE QE 1 42 TRP QB . . 9.010 3.044 2.725 3.515 . 0 0 "[ . 1 . 2]" 1
678 1 11 PHE HZ 1 38 LEU QB . . 6.880 5.510 4.866 6.384 . 0 0 "[ . 1 . 2]" 1
679 1 11 PHE HZ 1 39 GLY QA . . 4.580 4.164 3.779 4.495 . 0 0 "[ . 1 . 2]" 1
680 1 12 MET H 1 13 VAL QG . . 5.760 3.825 3.443 4.110 . 0 0 "[ . 1 . 2]" 1
681 1 12 MET HA 1 15 SER QB . . 4.170 2.618 2.242 3.040 . 0 0 "[ . 1 . 2]" 1
682 1 12 MET QB 1 13 VAL HA . . 6.340 3.925 3.856 4.157 . 0 0 "[ . 1 . 2]" 1
683 1 12 MET QB 1 13 VAL QG . . 7.650 3.363 3.208 3.556 . 0 0 "[ . 1 . 2]" 1
684 1 12 MET QG 1 13 VAL H . . 5.500 4.179 3.502 4.564 . 0 0 "[ . 1 . 2]" 1
685 1 13 VAL H 1 60 LEU QD . . 8.570 4.572 3.993 5.240 . 0 0 "[ . 1 . 2]" 1
686 1 13 VAL HA 1 16 ARG QB . . 5.330 4.498 3.236 5.322 . 0 0 "[ . 1 . 2]" 1
687 1 13 VAL HA 1 16 ARG QG . . 6.880 3.332 2.400 5.243 . 0 0 "[ . 1 . 2]" 1
688 1 13 VAL HA 1 16 ARG QD . . 6.410 3.915 2.459 5.578 . 0 0 "[ . 1 . 2]" 1
689 1 13 VAL HA 1 60 LEU QD . . 8.140 2.559 1.956 3.116 . 0 0 "[ . 1 . 2]" 1
690 1 13 VAL HB 1 60 LEU QD . . 8.170 4.246 2.961 4.920 . 0 0 "[ . 1 . 2]" 1
691 1 13 VAL QG 1 14 TRP H . . 5.800 2.929 1.998 3.147 . 0 0 "[ . 1 . 2]" 1
692 1 13 VAL QG 1 14 TRP HA . . 8.570 3.067 2.838 3.336 . 0 0 "[ . 1 . 2]" 1
693 1 13 VAL QG 1 14 TRP QB . . 9.450 3.680 2.817 3.999 . 0 0 "[ . 1 . 2]" 1
694 1 13 VAL QG 1 53 PHE H . . 8.570 5.184 4.684 5.797 . 0 0 "[ . 1 . 2]" 1
695 1 13 VAL QG 1 53 PHE QB . . 6.980 3.481 1.904 4.398 . 0 0 "[ . 1 . 2]" 1
696 1 13 VAL QG 1 53 PHE HB3 . . 8.780 3.597 1.914 4.597 . 0 0 "[ . 1 . 2]" 1
697 1 13 VAL QG 1 54 ILE HA . . 6.480 3.614 3.206 4.167 . 0 0 "[ . 1 . 2]" 1
698 1 13 VAL QG 1 56 GLU QB . . 7.110 2.072 1.754 2.763 . 0 0 "[ . 1 . 2]" 1
699 1 13 VAL QG 1 56 GLU QG . . 6.690 3.079 1.759 3.813 . 0 0 "[ . 1 . 2]" 1
700 1 13 VAL QG 1 57 ALA HA . . 6.550 2.292 1.934 2.528 . 0 0 "[ . 1 . 2]" 1
701 1 13 VAL QG 1 60 LEU QD . . 9.800 2.038 1.743 2.575 . 0 0 "[ . 1 . 2]" 1
702 1 14 TRP HA 1 16 ARG QG . . 6.660 5.514 4.640 6.966 0.306 5 0 "[ . 1 . 2]" 1
703 1 14 TRP HA 1 17 GLY QA . . 6.020 3.566 2.900 4.142 . 0 0 "[ . 1 . 2]" 1
704 1 14 TRP QB 1 15 SER H . . 4.250 2.892 2.767 3.029 . 0 0 "[ . 1 . 2]" 1
705 1 14 TRP QB 1 53 PHE QD . . 6.880 2.382 1.926 3.288 . 0 0 "[ . 1 . 2]" 1
706 1 14 TRP HZ3 1 18 GLN QB . . 6.880 5.449 4.899 5.870 . 0 0 "[ . 1 . 2]" 1
707 1 14 TRP HZ3 1 18 GLN QG . . 6.880 4.975 4.271 5.409 . 0 0 "[ . 1 . 2]" 1
708 1 14 TRP HZ3 1 38 LEU QB . . 6.880 3.226 2.645 4.165 . 0 0 "[ . 1 . 2]" 1
709 1 14 TRP HZ3 1 42 TRP QB . . 4.070 3.538 2.111 4.264 0.194 14 0 "[ . 1 . 2]" 1
710 1 14 TRP HZ2 1 18 GLN QB . . 6.880 4.486 3.761 5.378 . 0 0 "[ . 1 . 2]" 1
711 1 14 TRP HH2 1 18 GLN QB . . 6.880 5.432 4.885 6.097 . 0 0 "[ . 1 . 2]" 1
712 1 14 TRP HH2 1 38 LEU QD . . 6.950 3.611 3.090 4.247 . 0 0 "[ . 1 . 2]" 1
713 1 14 TRP HH2 1 41 GLU QG . . 4.650 2.533 1.907 3.637 . 0 0 "[ . 1 . 2]" 1
714 1 15 SER H 1 16 ARG QB . . 6.880 5.119 4.694 5.513 . 0 0 "[ . 1 . 2]" 1
715 1 15 SER H 1 16 ARG QG . . 5.620 4.226 3.862 4.965 . 0 0 "[ . 1 . 2]" 1
716 1 15 SER HA 1 18 GLN QB . . 4.900 3.783 3.486 4.109 . 0 0 "[ . 1 . 2]" 1
717 1 15 SER QB 1 16 ARG HA . . 5.730 3.984 3.791 4.265 . 0 0 "[ . 1 . 2]" 1
718 1 15 SER QB 1 17 GLY H . . 6.880 4.381 4.212 4.730 . 0 0 "[ . 1 . 2]" 1
719 1 15 SER QB 1 19 ARG H . . 6.880 5.390 5.107 5.683 . 0 0 "[ . 1 . 2]" 1
720 1 15 SER QB 1 38 LEU QD . . 7.000 3.526 2.522 5.532 . 0 0 "[ . 1 . 2]" 1
721 1 16 ARG H 1 16 ARG QB . . 3.520 2.652 2.344 2.998 . 0 0 "[ . 1 . 2]" 1
722 1 16 ARG H 1 38 LEU QD . . 7.560 4.811 4.334 6.448 . 0 0 "[ . 1 . 2]" 1
723 1 16 ARG HA 1 18 GLN QB . . 6.660 5.590 5.110 5.889 . 0 0 "[ . 1 . 2]" 1
724 1 16 ARG HA 1 19 ARG QB . . 4.900 2.878 2.196 4.068 . 0 0 "[ . 1 . 2]" 1
725 1 16 ARG HA 1 19 ARG QG . . 5.220 3.926 2.097 4.911 . 0 0 "[ . 1 . 2]" 1
726 1 16 ARG QB 1 18 GLN H . . 6.880 5.287 4.831 5.595 . 0 0 "[ . 1 . 2]" 1
727 1 16 ARG QG 1 17 GLY H . . 6.880 2.936 2.278 4.254 . 0 0 "[ . 1 . 2]" 1
728 1 16 ARG QG 1 17 GLY QA . . 7.290 3.846 3.051 5.255 . 0 0 "[ . 1 . 2]" 1
729 1 17 GLY H 1 18 GLN QB . . 6.880 4.430 4.270 4.741 . 0 0 "[ . 1 . 2]" 1
730 1 17 GLY QA 1 19 ARG H . . 6.590 4.081 3.828 4.234 . 0 0 "[ . 1 . 2]" 1
731 1 17 GLY QA 1 20 ARG H . . 6.120 3.277 2.815 3.554 . 0 0 "[ . 1 . 2]" 1
732 1 17 GLY QA 1 20 ARG QB . . 5.180 2.548 1.995 3.161 . 0 0 "[ . 1 . 2]" 1
733 1 17 GLY HA3 1 20 ARG HB2 . . 6.180 4.799 3.707 5.954 . 0 0 "[ . 1 . 2]" 1
734 1 17 GLY HA3 1 20 ARG HB3 . . 6.180 4.688 3.553 6.217 0.037 18 0 "[ . 1 . 2]" 1
735 1 17 GLY QA 1 20 ARG QD . . 7.650 4.292 2.229 5.615 . 0 0 "[ . 1 . 2]" 1
736 1 18 GLN HA 1 18 GLN QE . . 5.030 3.705 2.287 4.289 . 0 0 "[ . 1 . 2]" 1
737 1 18 GLN HA 1 21 LYS QB . . 5.120 3.726 2.040 4.297 . 0 0 "[ . 1 . 2]" 1
738 1 18 GLN HA 1 21 LYS QE . . 6.880 3.887 2.571 5.369 . 0 0 "[ . 1 . 2]" 1
739 1 18 GLN QB 1 19 ARG H . . 4.140 2.617 2.442 2.799 . 0 0 "[ . 1 . 2]" 1
740 1 18 GLN QB 1 22 MET H . . 6.880 4.890 3.920 5.149 . 0 0 "[ . 1 . 2]" 1
741 1 18 GLN QB 1 38 LEU QD . . 7.770 2.077 1.753 2.579 . 0 0 "[ . 1 . 2]" 1
742 1 18 GLN QG 1 19 ARG H . . 6.880 3.952 3.627 4.600 . 0 0 "[ . 1 . 2]" 1
743 1 18 GLN QG 1 38 LEU QD . . 5.740 2.348 1.774 3.326 . 0 0 "[ . 1 . 2]" 1
744 1 18 GLN QE 1 19 ARG HA . . 6.860 5.987 5.038 7.501 0.641 8 2 "[- . + 1 . 2]" 1
745 1 18 GLN QE 1 21 LYS QB . . 7.340 4.927 2.885 6.256 . 0 0 "[ . 1 . 2]" 1
746 1 18 GLN QE 1 21 LYS QG . . 6.710 3.576 2.475 4.692 . 0 0 "[ . 1 . 2]" 1
747 1 18 GLN QE 1 21 LYS QD . . 5.670 2.994 2.036 4.058 . 0 0 "[ . 1 . 2]" 1
748 1 18 GLN HE21 1 21 LYS HD3 . . 6.870 4.704 2.633 6.368 . 0 0 "[ . 1 . 2]" 1
749 1 18 GLN HE22 1 21 LYS HD3 . . 6.870 3.854 2.090 5.462 . 0 0 "[ . 1 . 2]" 1
750 1 18 GLN QE 1 21 LYS QE . . 6.830 3.773 2.080 4.578 . 0 0 "[ . 1 . 2]" 1
751 1 18 GLN HE21 1 21 LYS HE3 . . 7.760 5.787 2.391 7.369 . 0 0 "[ . 1 . 2]" 1
752 1 18 GLN HE22 1 21 LYS HE3 . . 7.760 4.758 2.113 6.541 . 0 0 "[ . 1 . 2]" 1
753 1 18 GLN QE 1 22 MET ME . . 6.460 2.868 1.771 4.396 . 0 0 "[ . 1 . 2]" 1
754 1 18 GLN QE 1 38 LEU QD . . 7.370 3.929 3.095 5.214 . 0 0 "[ . 1 . 2]" 1
755 1 19 ARG H 1 20 ARG QB . . 6.700 4.477 4.317 4.779 . 0 0 "[ . 1 . 2]" 1
756 1 19 ARG H 1 22 MET QB . . 6.880 4.691 4.254 5.182 . 0 0 "[ . 1 . 2]" 1
757 1 19 ARG HA 1 22 MET QB . . 5.300 2.852 2.182 3.905 . 0 0 "[ . 1 . 2]" 1
758 1 19 ARG QB 1 23 ALA MB . . 7.900 4.579 3.953 5.468 . 0 0 "[ . 1 . 2]" 1
759 1 19 ARG QB 1 38 LEU QD . . 6.930 3.819 2.843 5.283 . 0 0 "[ . 1 . 2]" 1
760 1 19 ARG QG 1 20 ARG H . . 6.160 3.838 2.124 4.544 . 0 0 "[ . 1 . 2]" 1
761 1 19 ARG QG 1 22 MET H . . 6.880 5.490 4.843 6.174 . 0 0 "[ . 1 . 2]" 1
762 1 19 ARG QG 1 23 ALA H . . 6.880 4.991 4.053 5.923 . 0 0 "[ . 1 . 2]" 1
763 1 19 ARG QD 1 20 ARG H . . 6.880 4.447 3.484 5.419 . 0 0 "[ . 1 . 2]" 1
764 1 19 ARG QD 1 23 ALA MB . . 7.900 4.373 2.512 6.082 . 0 0 "[ . 1 . 2]" 1
765 1 20 ARG H 1 20 ARG QB . . 3.300 2.226 2.131 2.275 . 0 0 "[ . 1 . 2]" 1
766 1 20 ARG QB 1 21 LYS H . . 3.110 2.393 2.167 2.715 . 0 0 "[ . 1 . 2]" 1
767 1 20 ARG QB 1 24 GLN H . . 6.880 5.433 4.910 5.732 . 0 0 "[ . 1 . 2]" 1
768 1 20 ARG QG 1 21 LYS H . . 6.880 3.677 2.823 4.513 . 0 0 "[ . 1 . 2]" 1
769 1 21 LYS H 1 21 LYS QB . . 3.810 2.459 2.128 2.619 . 0 0 "[ . 1 . 2]" 1
770 1 21 LYS H 1 21 LYS QG . . 4.320 2.436 1.896 3.943 . 0 0 "[ . 1 . 2]" 1
771 1 21 LYS HA 1 24 GLN QB . . 4.720 3.003 2.370 4.461 . 0 0 "[ . 1 . 2]" 1
772 1 21 LYS QB 1 25 GLU H . . 6.880 4.888 4.265 5.556 . 0 0 "[ . 1 . 2]" 1
773 1 21 LYS QG 1 22 MET H . . 4.290 2.331 1.783 3.967 . 0 0 "[ . 1 . 2]" 1
774 1 22 MET H 1 24 GLN QB . . 6.340 5.220 4.789 6.257 . 0 0 "[ . 1 . 2]" 1
775 1 22 MET HA 1 22 MET QG . . 3.750 2.491 2.181 3.280 . 0 0 "[ . 1 . 2]" 1
776 1 22 MET QB 1 23 ALA MB . . 7.750 3.922 3.601 4.867 . 0 0 "[ . 1 . 2]" 1
777 1 22 MET QB 1 24 GLN H . . 6.880 4.647 4.438 4.882 . 0 0 "[ . 1 . 2]" 1
778 1 22 MET QB 1 26 ASN QD . . 4.290 3.021 1.700 4.002 . 0 0 "[ . 1 . 2]" 1
779 1 22 MET QB 1 34 ILE MD . . 7.040 2.945 2.093 4.161 . 0 0 "[ . 1 . 2]" 1
780 1 22 MET QB 1 38 LEU QD . . 7.010 4.630 3.869 5.617 . 0 0 "[ . 1 . 2]" 1
781 1 22 MET QG 1 23 ALA H . . 6.880 3.956 2.656 4.467 . 0 0 "[ . 1 . 2]" 1
782 1 22 MET QG 1 26 ASN QD . . 4.940 2.496 1.698 3.695 . 0 0 "[ . 1 . 2]" 1
783 1 22 MET ME 1 37 ARG QD . . 5.380 4.012 2.376 5.807 0.427 1 0 "[ . 1 . 2]" 1
784 1 22 MET ME 1 38 LEU QD . . 7.790 3.149 1.835 5.250 . 0 0 "[ . 1 . 2]" 1
785 1 22 MET ME 1 41 GLU QG . . 7.030 5.446 4.432 6.686 . 0 0 "[ . 1 . 2]" 1
786 1 23 ALA H 1 24 GLN QG . . 6.880 4.760 3.863 6.242 . 0 0 "[ . 1 . 2]" 1
787 1 23 ALA MB 1 24 GLN QB . . 6.960 4.195 3.816 4.517 . 0 0 "[ . 1 . 2]" 1
788 1 23 ALA MB 1 24 GLN QG . . 7.430 3.817 3.117 5.269 . 0 0 "[ . 1 . 2]" 1
789 1 23 ALA MB 1 24 GLN QE . . 7.880 3.533 2.381 5.588 . 0 0 "[ . 1 . 2]" 1
790 1 23 ALA MB 1 27 PRO QB . . 7.070 3.525 2.597 5.235 . 0 0 "[ . 1 . 2]" 1
791 1 24 GLN H 1 24 GLN QB . . 3.820 2.376 2.130 2.741 . 0 0 "[ . 1 . 2]" 1
792 1 24 GLN H 1 24 GLN QE . . 4.300 3.549 3.068 4.783 0.483 18 0 "[ . 1 . 2]" 1
793 1 24 GLN H 1 25 GLU QG . . 6.880 4.192 3.916 4.840 . 0 0 "[ . 1 . 2]" 1
794 1 24 GLN HA 1 24 GLN QG . . 3.990 2.793 2.308 3.354 . 0 0 "[ . 1 . 2]" 1
795 1 24 GLN QG 1 25 GLU H . . 6.880 3.999 2.365 4.756 . 0 0 "[ . 1 . 2]" 1
796 1 25 GLU H 1 25 GLU QG . . 4.040 2.526 2.206 3.122 . 0 0 "[ . 1 . 2]" 1
797 1 25 GLU H 1 27 PRO QD . . 6.310 4.459 3.978 4.777 . 0 0 "[ . 1 . 2]" 1
798 1 25 GLU HA 1 25 GLU QG . . 3.360 2.433 2.304 2.952 . 0 0 "[ . 1 . 2]" 1
799 1 25 GLU HA 1 27 PRO QD . . 6.240 4.534 3.926 4.925 . 0 0 "[ . 1 . 2]" 1
800 1 25 GLU QG 1 26 ASN H . . 6.880 4.118 3.932 4.335 . 0 0 "[ . 1 . 2]" 1
801 1 26 ASN H 1 27 PRO QD . . 5.670 3.179 2.883 3.504 . 0 0 "[ . 1 . 2]" 1
802 1 26 ASN HA 1 27 PRO QD . . 3.440 1.959 1.813 2.132 . 0 0 "[ . 1 . 2]" 1
803 1 26 ASN QB 1 26 ASN QD . . 2.960 2.585 2.219 2.734 . 0 0 "[ . 1 . 2]" 1
804 1 26 ASN QB 1 27 PRO QD . . 7.770 3.515 3.408 3.652 . 0 0 "[ . 1 . 2]" 1
805 1 26 ASN QB 1 29 MET ME . . 5.700 4.111 2.379 5.850 0.150 19 0 "[ . 1 . 2]" 1
806 1 26 ASN QB 1 34 ILE MD . . 7.900 6.627 5.128 7.813 . 0 0 "[ . 1 . 2]" 1
807 1 27 PRO HA 1 28 LYS QB . . 6.380 4.990 4.504 5.436 . 0 0 "[ . 1 . 2]" 1
808 1 28 LYS H 1 29 MET QB . . 6.340 4.404 3.950 4.895 . 0 0 "[ . 1 . 2]" 1
809 1 28 LYS QB 1 29 MET ME . . 4.480 3.737 2.589 5.306 0.826 1 2 "[+ . - . 2]" 1
810 1 28 LYS QD 1 29 MET H . . 6.880 4.712 2.995 5.868 . 0 0 "[ . 1 . 2]" 1
811 1 28 LYS QD 1 29 MET ME . . 4.910 4.344 3.190 5.854 0.944 14 2 "[ - . 1 +. 2]" 1
812 1 29 MET H 1 29 MET QG . . 4.940 3.083 1.898 4.061 . 0 0 "[ . 1 . 2]" 1
813 1 29 MET H 1 34 ILE QG . . 6.880 5.169 4.472 6.089 . 0 0 "[ . 1 . 2]" 1
814 1 29 MET HA 1 29 MET QG . . 3.840 2.701 2.285 3.515 . 0 0 "[ . 1 . 2]" 1
815 1 29 MET QB 1 34 ILE MD . . 7.250 2.762 1.765 4.483 . 0 0 "[ . 1 . 2]" 1
816 1 29 MET QG 1 30 HIS H . . 5.740 3.691 2.456 4.229 . 0 0 "[ . 1 . 2]" 1
817 1 29 MET QG 1 33 GLU H . . 6.880 5.207 3.940 6.243 . 0 0 "[ . 1 . 2]" 1
818 1 29 MET QG 1 34 ILE H . . 5.580 4.237 3.117 5.263 . 0 0 "[ . 1 . 2]" 1
819 1 29 MET QG 1 34 ILE QG . . 7.760 3.038 1.896 4.688 . 0 0 "[ . 1 . 2]" 1
820 1 29 MET QG 1 34 ILE MD . . 4.810 3.108 1.878 4.559 . 0 0 "[ . 1 . 2]" 1
821 1 30 HIS H 1 33 GLU QB . . 6.880 3.843 2.216 5.393 . 0 0 "[ . 1 . 2]" 1
822 1 30 HIS H 1 33 GLU QG . . 5.400 3.603 2.404 5.108 . 0 0 "[ . 1 . 2]" 1
823 1 30 HIS QB 1 31 ASN HA . . 5.440 4.519 4.086 5.213 . 0 0 "[ . 1 . 2]" 1
824 1 30 HIS QB 1 31 ASN HD21 . . 6.380 3.866 2.257 5.664 . 0 0 "[ . 1 . 2]" 1
825 1 32 SER HA 1 35 SER QB . . 4.830 3.082 2.471 3.985 . 0 0 "[ . 1 . 2]" 1
826 1 33 GLU HA 1 36 LYS QB . . 3.860 2.842 2.355 3.193 . 0 0 "[ . 1 . 2]" 1
827 1 33 GLU HA 1 36 LYS QG . . 6.840 3.926 2.302 5.192 . 0 0 "[ . 1 . 2]" 1
828 1 33 GLU QB 1 34 ILE QG . . 6.790 3.535 2.866 4.680 . 0 0 "[ . 1 . 2]" 1
829 1 33 GLU QB 1 34 ILE MD . . 7.070 4.447 2.826 5.725 . 0 0 "[ . 1 . 2]" 1
830 1 33 GLU QB 1 35 SER H . . 6.880 4.659 4.420 4.990 . 0 0 "[ . 1 . 2]" 1
831 1 33 GLU QB 1 36 LYS QG . . 7.540 5.247 4.012 6.371 . 0 0 "[ . 1 . 2]" 1
832 1 33 GLU QG 1 34 ILE H . . 5.500 3.453 1.896 4.216 . 0 0 "[ . 1 . 2]" 1
833 1 33 GLU QG 1 34 ILE MD . . 7.900 5.006 3.268 6.112 . 0 0 "[ . 1 . 2]" 1
834 1 34 ILE H 1 37 ARG QD . . 5.370 5.283 4.296 6.295 0.925 1 2 "[+ . 1 -. 2]" 1
835 1 34 ILE HA 1 37 ARG QB . . 5.580 2.981 2.399 3.610 . 0 0 "[ . 1 . 2]" 1
836 1 34 ILE HB 1 35 SER QB . . 6.480 4.565 3.809 4.929 . 0 0 "[ . 1 . 2]" 1
837 1 34 ILE MG 1 37 ARG QD . . 7.540 4.897 3.228 6.046 . 0 0 "[ . 1 . 2]" 1
838 1 34 ILE MG 1 38 LEU QD . . 7.640 1.967 1.740 2.946 . 0 0 "[ . 1 . 2]" 1
839 1 34 ILE QG 1 35 SER H . . 6.880 3.981 3.748 4.305 . 0 0 "[ . 1 . 2]" 1
840 1 34 ILE MD 1 38 LEU QD . . 9.190 3.784 2.700 5.136 . 0 0 "[ . 1 . 2]" 1
841 1 35 SER H 1 38 LEU QD . . 6.700 4.398 4.060 5.132 . 0 0 "[ . 1 . 2]" 1
842 1 35 SER HA 1 38 LEU QB . . 4.530 2.887 2.209 3.544 . 0 0 "[ . 1 . 2]" 1
843 1 35 SER HA 1 38 LEU QD . . 7.200 3.314 2.682 4.145 . 0 0 "[ . 1 . 2]" 1
844 1 35 SER QB 1 36 LYS H . . 4.420 2.852 2.587 3.568 . 0 0 "[ . 1 . 2]" 1
845 1 35 SER QB 1 38 LEU QB . . 7.040 4.564 3.705 5.243 . 0 0 "[ . 1 . 2]" 1
846 1 35 SER QB 1 38 LEU QD . . 9.450 4.590 3.649 5.285 . 0 0 "[ . 1 . 2]" 1
847 1 36 LYS H 1 36 LYS QB . . 3.810 2.295 2.155 2.634 . 0 0 "[ . 1 . 2]" 1
848 1 36 LYS H 1 37 ARG QD . . 5.730 5.668 3.908 6.315 0.585 14 1 "[ . 1 +. 2]" 1
849 1 36 LYS H 1 38 LEU QD . . 8.240 4.894 4.598 5.736 . 0 0 "[ . 1 . 2]" 1
850 1 36 LYS QG 1 37 ARG H . . 6.560 4.041 3.511 4.548 . 0 0 "[ . 1 . 2]" 1
851 1 37 ARG HA 1 41 GLU QG . . 6.880 3.649 3.177 4.477 . 0 0 "[ . 1 . 2]" 1
852 1 37 ARG QB 1 38 LEU QD . . 7.070 2.968 2.335 4.823 . 0 0 "[ . 1 . 2]" 1
853 1 37 ARG QB 1 40 ALA MB . . 7.830 4.269 3.817 4.726 . 0 0 "[ . 1 . 2]" 1
854 1 37 ARG QG 1 40 ALA MB . . 7.110 4.290 3.786 5.144 . 0 0 "[ . 1 . 2]" 1
855 1 37 ARG QD 1 38 LEU H . . 6.880 4.698 4.227 5.018 . 0 0 "[ . 1 . 2]" 1
856 1 37 ARG QD 1 38 LEU QB . . 7.760 5.988 5.543 6.431 . 0 0 "[ . 1 . 2]" 1
857 1 37 ARG QD 1 38 LEU QD . . 9.200 4.338 3.264 6.253 . 0 0 "[ . 1 . 2]" 1
858 1 38 LEU HA 1 41 GLU QG . . 4.610 3.001 2.059 4.120 . 0 0 "[ . 1 . 2]" 1
859 1 38 LEU QB 1 40 ALA H . . 5.840 4.721 4.466 4.821 . 0 0 "[ . 1 . 2]" 1
860 1 38 LEU QD 1 40 ALA H . . 8.570 5.231 4.923 5.360 . 0 0 "[ . 1 . 2]" 1
861 1 38 LEU QD 1 41 GLU H . . 8.570 4.842 4.539 5.230 . 0 0 "[ . 1 . 2]" 1
862 1 38 LEU QD 1 41 GLU QG . . 8.520 3.722 2.769 5.622 . 0 0 "[ . 1 . 2]" 1
863 1 39 GLY QA 1 40 ALA MB . . 6.530 4.110 4.077 4.158 . 0 0 "[ . 1 . 2]" 1
864 1 39 GLY QA 1 41 GLU H . . 6.590 4.010 3.901 4.123 . 0 0 "[ . 1 . 2]" 1
865 1 39 GLY QA 1 42 TRP H . . 6.880 3.463 3.271 3.665 . 0 0 "[ . 1 . 2]" 1
866 1 39 GLY QA 1 42 TRP QB . . 7.760 2.768 2.463 3.142 . 0 0 "[ . 1 . 2]" 1
867 1 39 GLY QA 1 43 LYS H . . 5.980 4.234 4.103 4.383 . 0 0 "[ . 1 . 2]" 1
868 1 40 ALA H 1 41 GLU QG . . 5.600 4.188 3.928 4.380 . 0 0 "[ . 1 . 2]" 1
869 1 40 ALA HA 1 43 LYS QB . . 4.610 2.906 2.487 3.502 . 0 0 "[ . 1 . 2]" 1
870 1 40 ALA MB 1 41 GLU QG . . 6.130 3.333 3.006 3.792 . 0 0 "[ . 1 . 2]" 1
871 1 40 ALA MB 1 44 LEU QD . . 9.590 3.914 3.322 5.825 . 0 0 "[ . 1 . 2]" 1
872 1 41 GLU H 1 41 GLU QG . . 4.770 2.275 1.994 2.498 . 0 0 "[ . 1 . 2]" 1
873 1 41 GLU H 1 42 TRP QB . . 5.940 4.317 4.172 4.490 . 0 0 "[ . 1 . 2]" 1
874 1 41 GLU H 1 44 LEU QD . . 6.840 5.175 4.586 6.734 . 0 0 "[ . 1 . 2]" 1
875 1 41 GLU HA 1 44 LEU QB . . 5.550 3.304 2.535 4.021 . 0 0 "[ . 1 . 2]" 1
876 1 41 GLU HA 1 44 LEU QD . . 5.550 3.682 2.553 5.091 . 0 0 "[ . 1 . 2]" 1
877 1 41 GLU QG 1 42 TRP H . . 5.780 3.990 2.563 4.204 . 0 0 "[ . 1 . 2]" 1
878 1 41 GLU QG 1 44 LEU H . . 6.880 5.829 5.121 6.241 . 0 0 "[ . 1 . 2]" 1
879 1 41 GLU QG 1 44 LEU QD . . 8.690 5.306 4.153 6.529 . 0 0 "[ . 1 . 2]" 1
880 1 42 TRP H 1 45 LEU QD . . 8.570 4.714 3.944 5.703 . 0 0 "[ . 1 . 2]" 1
881 1 42 TRP HA 1 45 LEU QB . . 6.740 2.044 1.756 2.746 . 0 0 "[ . 1 . 2]" 1
882 1 42 TRP HA 1 45 LEU QD . . 7.020 2.858 1.830 3.632 . 0 0 "[ . 1 . 2]" 1
883 1 42 TRP QB 1 42 TRP HD1 . . 3.320 2.654 2.561 2.725 . 0 0 "[ . 1 . 2]" 1
884 1 42 TRP QB 1 45 LEU QD . . 9.450 3.864 3.264 5.050 . 0 0 "[ . 1 . 2]" 1
885 1 42 TRP HE3 1 45 LEU QD . . 6.400 3.307 2.494 4.914 . 0 0 "[ . 1 . 2]" 1
886 1 42 TRP HZ3 1 45 LEU QD . . 6.610 3.685 2.945 4.998 . 0 0 "[ . 1 . 2]" 1
887 1 43 LYS H 1 43 LYS QE . . 6.880 4.851 3.638 6.094 . 0 0 "[ . 1 . 2]" 1
888 1 43 LYS H 1 44 LEU QD . . 6.950 4.087 3.489 5.651 . 0 0 "[ . 1 . 2]" 1
889 1 43 LYS H 1 45 LEU QB . . 6.700 4.555 4.392 5.015 . 0 0 "[ . 1 . 2]" 1
890 1 43 LYS H 1 45 LEU QD . . 8.570 5.352 4.120 5.885 . 0 0 "[ . 1 . 2]" 1
891 1 43 LYS HA 1 44 LEU QD . . 7.960 4.181 3.725 5.469 . 0 0 "[ . 1 . 2]" 1
892 1 43 LYS QB 1 44 LEU QD . . 5.320 2.599 1.968 4.400 . 0 0 "[ . 1 . 2]" 1
893 1 43 LYS HB2 1 44 LEU MD1 . . 7.010 3.903 2.100 6.196 . 0 0 "[ . 1 . 2]" 1
894 1 43 LYS HB3 1 44 LEU MD2 . . 7.010 4.418 1.985 5.611 . 0 0 "[ . 1 . 2]" 1
895 1 43 LYS QB 1 45 LEU H . . 6.450 4.636 4.471 4.743 . 0 0 "[ . 1 . 2]" 1
896 1 44 LEU H 1 45 LEU QB . . 6.880 3.857 3.629 4.284 . 0 0 "[ . 1 . 2]" 1
897 1 44 LEU HA 1 44 LEU QD . . 3.680 2.381 1.854 2.880 . 0 0 "[ . 1 . 2]" 1
898 1 44 LEU QD 1 45 LEU H . . 6.630 4.156 3.904 4.357 . 0 0 "[ . 1 . 2]" 1
899 1 45 LEU H 1 45 LEU QB . . 3.580 2.249 2.201 2.319 . 0 0 "[ . 1 . 2]" 1
900 1 45 LEU QB 1 49 GLU H . . 6.880 6.119 4.378 6.521 . 0 0 "[ . 1 . 2]" 1
901 1 45 LEU QB 1 49 GLU QB . . 7.760 4.314 2.177 4.916 . 0 0 "[ . 1 . 2]" 1
902 1 45 LEU QB 1 49 GLU QG . . 7.260 5.413 2.974 6.093 . 0 0 "[ . 1 . 2]" 1
903 1 45 LEU QB 1 50 LYS H . . 6.880 5.982 4.812 6.523 . 0 0 "[ . 1 . 2]" 1
904 1 45 LEU QB 1 50 LYS QB . . 7.760 5.371 4.620 6.527 . 0 0 "[ . 1 . 2]" 1
905 1 45 LEU HG 1 50 LYS QG . . 5.560 3.994 2.535 5.243 . 0 0 "[ . 1 . 2]" 1
906 1 45 LEU QD 1 46 SER H . . 6.560 2.667 1.961 3.865 . 0 0 "[ . 1 . 2]" 1
907 1 45 LEU QD 1 46 SER HA . . 6.910 4.170 3.079 4.641 . 0 0 "[ . 1 . 2]" 1
908 1 45 LEU QD 1 47 GLU HA . . 8.140 3.935 2.615 4.547 . 0 0 "[ . 1 . 2]" 1
909 1 45 LEU QD 1 49 GLU H . . 6.460 3.760 3.145 4.166 . 0 0 "[ . 1 . 2]" 1
910 1 45 LEU QD 1 49 GLU QB . . 8.520 1.984 1.739 2.313 . 0 0 "[ . 1 . 2]" 1
911 1 45 LEU MD1 1 49 GLU HB2 . . 10.110 2.398 1.763 3.906 . 0 0 "[ . 1 . 2]" 1
912 1 45 LEU MD1 1 49 GLU HB3 . . 10.110 2.851 2.095 5.119 . 0 0 "[ . 1 . 2]" 1
913 1 45 LEU QD 1 49 GLU QG . . 7.750 3.298 2.388 3.828 . 0 0 "[ . 1 . 2]" 1
914 1 45 LEU MD1 1 49 GLU HG3 . . 8.780 4.107 2.692 5.618 . 0 0 "[ . 1 . 2]" 1
915 1 45 LEU MD2 1 49 GLU HG2 . . 8.780 5.799 3.721 6.941 . 0 0 "[ . 1 . 2]" 1
916 1 45 LEU QD 1 50 LYS H . . 5.140 3.335 2.598 4.003 . 0 0 "[ . 1 . 2]" 1
917 1 45 LEU QD 1 50 LYS QB . . 6.890 2.989 1.736 4.250 . 0 0 "[ . 1 . 2]" 1
918 1 45 LEU QD 1 50 LYS QG . . 7.020 2.693 2.080 4.318 . 0 0 "[ . 1 . 2]" 1
919 1 45 LEU MD1 1 50 LYS HG2 . . 8.290 4.334 2.367 6.000 . 0 0 "[ . 1 . 2]" 1
920 1 45 LEU QD 1 50 LYS QE . . 9.450 3.639 2.100 6.185 . 0 0 "[ . 1 . 2]" 1
921 1 45 LEU QD 1 53 PHE QD . . 7.880 3.234 2.470 3.516 . 0 0 "[ . 1 . 2]" 1
922 1 45 LEU QD 1 54 ILE MD . . 9.590 5.837 5.257 6.516 . 0 0 "[ . 1 . 2]" 1
923 1 46 SER H 1 49 GLU QB . . 6.660 2.901 2.313 3.695 . 0 0 "[ . 1 . 2]" 1
924 1 46 SER H 1 49 GLU QG . . 6.880 3.423 2.735 4.491 . 0 0 "[ . 1 . 2]" 1
925 1 46 SER QB 1 47 GLU QB . . 7.620 4.318 3.686 4.886 . 0 0 "[ . 1 . 2]" 1
926 1 46 SER QB 1 47 GLU QG . . 7.760 4.414 3.493 5.694 . 0 0 "[ . 1 . 2]" 1
927 1 46 SER QB 1 48 THR H . . 5.150 2.730 2.306 3.037 . 0 0 "[ . 1 . 2]" 1
928 1 46 SER QB 1 48 THR MG . . 5.410 2.367 1.820 4.235 . 0 0 "[ . 1 . 2]" 1
929 1 47 GLU H 1 47 GLU QG . . 4.980 2.680 1.782 4.025 . 0 0 "[ . 1 . 2]" 1
930 1 47 GLU H 1 50 LYS QB . . 5.840 4.728 4.107 5.508 . 0 0 "[ . 1 . 2]" 1
931 1 47 GLU HA 1 50 LYS QB . . 4.060 2.300 1.936 3.036 . 0 0 "[ . 1 . 2]" 1
932 1 47 GLU HA 1 50 LYS QG . . 5.700 3.288 1.770 4.394 . 0 0 "[ . 1 . 2]" 1
933 1 47 GLU HA 1 50 LYS QD . . 6.880 3.593 1.918 5.257 . 0 0 "[ . 1 . 2]" 1
934 1 47 GLU QB 1 48 THR H . . 4.440 3.138 2.665 3.682 . 0 0 "[ . 1 . 2]" 1
935 1 47 GLU QG 1 48 THR H . . 6.880 3.555 2.291 4.778 . 0 0 "[ . 1 . 2]" 1
936 1 47 GLU QG 1 48 THR HA . . 6.880 4.675 3.450 5.948 . 0 0 "[ . 1 . 2]" 1
937 1 47 GLU QG 1 48 THR HB . . 6.880 5.162 3.458 7.159 0.279 7 0 "[ . 1 . 2]" 1
938 1 47 GLU QG 1 48 THR MG . . 7.900 4.868 3.739 6.491 . 0 0 "[ . 1 . 2]" 1
939 1 48 THR HA 1 51 ARG QB . . 4.860 3.977 3.168 5.116 0.256 1 0 "[ . 1 . 2]" 1
940 1 48 THR MG 1 49 GLU QG . . 7.900 2.652 1.788 5.608 . 0 0 "[ . 1 . 2]" 1
941 1 49 GLU QG 1 50 LYS H . . 6.880 4.370 4.059 4.823 . 0 0 "[ . 1 . 2]" 1
942 1 50 LYS H 1 50 LYS QE . . 6.880 4.706 3.901 6.021 . 0 0 "[ . 1 . 2]" 1
943 1 50 LYS HA 1 53 PHE QB . . 6.880 3.126 2.696 3.911 . 0 0 "[ . 1 . 2]" 1
944 1 50 LYS QB 1 54 ILE QG . . 6.820 4.256 3.058 5.307 . 0 0 "[ . 1 . 2]" 1
945 1 50 LYS HB2 1 54 ILE HG13 . . 7.760 6.621 4.756 7.792 0.032 1 0 "[ . 1 . 2]" 1
946 1 50 LYS HB3 1 54 ILE HG13 . . 7.760 5.505 3.955 6.711 . 0 0 "[ . 1 . 2]" 1
947 1 50 LYS QG 1 51 ARG H . . 5.090 4.284 3.226 4.643 . 0 0 "[ . 1 . 2]" 1
948 1 50 LYS QG 1 54 ILE QG . . 6.660 4.184 2.705 5.175 . 0 0 "[ . 1 . 2]" 1
949 1 50 LYS HG2 1 54 ILE HG13 . . 7.760 5.598 3.745 6.760 . 0 0 "[ . 1 . 2]" 1
950 1 50 LYS HG3 1 54 ILE HG13 . . 7.760 6.616 5.376 7.427 . 0 0 "[ . 1 . 2]" 1
951 1 50 LYS QD 1 54 ILE QG . . 5.230 3.955 2.737 4.967 . 0 0 "[ . 1 . 2]" 1
952 1 50 LYS HD3 1 54 ILE HG13 . . 6.430 5.273 3.409 6.443 0.013 5 0 "[ . 1 . 2]" 1
953 1 51 ARG H 1 51 ARG QG . . 4.900 3.793 2.146 4.056 . 0 0 "[ . 1 . 2]" 1
954 1 51 ARG H 1 52 PRO QG . . 6.890 4.271 4.088 4.564 . 0 0 "[ . 1 . 2]" 1
955 1 51 ARG H 1 54 ILE QG . . 6.880 4.901 4.505 5.332 . 0 0 "[ . 1 . 2]" 1
956 1 51 ARG HA 1 51 ARG QG . . 3.790 2.831 2.356 3.344 . 0 0 "[ . 1 . 2]" 1
957 1 51 ARG HA 1 51 ARG QD . . 4.830 2.625 1.989 4.525 . 0 0 "[ . 1 . 2]" 1
958 1 51 ARG QB 1 52 PRO QD . . 5.380 1.925 1.725 3.089 . 0 0 "[ . 1 . 2]" 1
959 1 51 ARG HB2 1 52 PRO HD2 . . 6.270 4.021 2.715 4.702 . 0 0 "[ . 1 . 2]" 1
960 1 51 ARG HB3 1 52 PRO HD3 . . 6.270 2.130 1.739 3.765 . 0 0 "[ . 1 . 2]" 1
961 1 51 ARG QD 1 54 ILE H . . 6.880 4.823 4.128 6.945 0.065 1 0 "[ . 1 . 2]" 1
962 1 51 ARG QD 1 54 ILE HB . . 6.880 4.064 2.911 6.851 . 0 0 "[ . 1 . 2]" 1
963 1 51 ARG QD 1 54 ILE MG . . 7.900 4.835 3.792 7.306 . 0 0 "[ . 1 . 2]" 1
964 1 51 ARG QD 1 55 ASP H . . 6.880 4.999 3.758 7.292 0.412 14 0 "[ . 1 . 2]" 1
965 1 52 PRO HA 1 56 GLU QG . . 6.880 4.940 3.642 6.840 . 0 0 "[ . 1 . 2]" 1
966 1 53 PHE HA 1 56 GLU QB . . 5.840 3.264 2.327 5.090 . 0 0 "[ . 1 . 2]" 1
967 1 53 PHE HA 1 56 GLU QG . . 5.260 3.795 2.002 4.997 . 0 0 "[ . 1 . 2]" 1
968 1 53 PHE QB 1 55 ASP H . . 6.090 4.512 4.409 4.784 . 0 0 "[ . 1 . 2]" 1
969 1 54 ILE HB 1 55 ASP QB . . 6.770 4.111 3.955 4.660 . 0 0 "[ . 1 . 2]" 1
970 1 54 ILE MG 1 58 LYS QB . . 6.490 4.578 4.097 5.214 . 0 0 "[ . 1 . 2]" 1
971 1 54 ILE MG 1 58 LYS QE . . 6.350 3.037 1.758 4.559 . 0 0 "[ . 1 . 2]" 1
972 1 54 ILE QG 1 55 ASP H . . 6.880 3.940 3.878 4.002 . 0 0 "[ . 1 . 2]" 1
973 1 55 ASP HA 1 58 LYS QB . . 4.720 2.891 2.572 3.421 . 0 0 "[ . 1 . 2]" 1
974 1 55 ASP HA 1 58 LYS QE . . 6.880 2.994 1.701 5.822 . 0 0 "[ . 1 . 2]" 1
975 1 55 ASP QB 1 56 GLU H . . 3.800 2.476 2.243 2.711 . 0 0 "[ . 1 . 2]" 1
976 1 55 ASP QB 1 56 GLU HA . . 6.050 4.134 3.862 4.367 . 0 0 "[ . 1 . 2]" 1
977 1 56 GLU H 1 56 GLU QB . . 3.390 2.362 2.042 2.813 . 0 0 "[ . 1 . 2]" 1
978 1 56 GLU H 1 56 GLU QG . . 3.710 2.824 1.777 4.050 0.340 19 0 "[ . 1 . 2]" 1
979 1 56 GLU H 1 59 ARG QD . . 6.880 4.826 3.714 6.078 . 0 0 "[ . 1 . 2]" 1
980 1 56 GLU HA 1 59 ARG QB . . 4.310 2.548 2.105 3.094 . 0 0 "[ . 1 . 2]" 1
981 1 56 GLU HA 1 59 ARG QG . . 6.480 3.448 1.921 4.286 . 0 0 "[ . 1 . 2]" 1
982 1 56 GLU HA 1 60 LEU QD . . 8.570 4.516 4.232 5.002 . 0 0 "[ . 1 . 2]" 1
983 1 56 GLU QB 1 57 ALA HA . . 5.150 3.997 3.832 4.445 . 0 0 "[ . 1 . 2]" 1
984 1 56 GLU QB 1 60 LEU QD . . 7.790 3.534 3.054 4.109 . 0 0 "[ . 1 . 2]" 1
985 1 56 GLU QG 1 57 ALA HA . . 6.740 5.387 4.100 5.962 . 0 0 "[ . 1 . 2]" 1
986 1 56 GLU QG 1 57 ALA MB . . 7.900 5.170 3.753 5.619 . 0 0 "[ . 1 . 2]" 1
987 1 56 GLU QG 1 60 LEU QD . . 7.470 4.321 2.764 5.142 . 0 0 "[ . 1 . 2]" 1
988 1 56 GLU HG2 1 60 LEU MD1 . . 9.240 5.974 3.899 8.100 . 0 0 "[ . 1 . 2]" 1
989 1 56 GLU HG3 1 60 LEU MD1 . . 9.240 5.381 3.141 7.883 . 0 0 "[ . 1 . 2]" 1
990 1 57 ALA HA 1 60 LEU QB . . 4.790 3.041 2.547 4.525 . 0 0 "[ . 1 . 2]" 1
991 1 57 ALA HA 1 60 LEU QD . . 5.400 2.364 2.033 3.035 . 0 0 "[ . 1 . 2]" 1
992 1 58 LYS H 1 58 LYS QD . . 5.600 3.833 3.040 4.374 . 0 0 "[ . 1 . 2]" 1
993 1 58 LYS HA 1 58 LYS QG . . 3.870 2.609 2.334 3.061 . 0 0 "[ . 1 . 2]" 1
994 1 58 LYS HA 1 61 ARG QD . . 6.880 3.716 2.303 6.060 . 0 0 "[ . 1 . 2]" 1
995 1 58 LYS QB 1 59 ARG H . . 3.420 2.603 2.341 2.787 . 0 0 "[ . 1 . 2]" 1
996 1 59 ARG H 1 59 ARG QD . . 4.970 3.481 2.365 4.613 . 0 0 "[ . 1 . 2]" 1
997 1 59 ARG H 1 60 LEU QB . . 6.880 4.762 4.558 5.283 . 0 0 "[ . 1 . 2]" 1
998 1 59 ARG H 1 60 LEU QD . . 8.570 4.668 4.428 4.919 . 0 0 "[ . 1 . 2]" 1
999 1 59 ARG HA 1 59 ARG QG . . 3.770 2.428 2.087 3.169 . 0 0 "[ . 1 . 2]" 1
1000 1 59 ARG HA 1 59 ARG QD . . 4.520 3.521 2.177 4.237 . 0 0 "[ . 1 . 2]" 1
1001 1 59 ARG QG 1 60 LEU H . . 6.880 4.043 3.423 4.524 . 0 0 "[ . 1 . 2]" 1
1002 1 60 LEU H 1 60 LEU QD . . 4.420 2.979 2.781 3.089 . 0 0 "[ . 1 . 2]" 1
1003 1 60 LEU QD 1 61 ARG H . . 6.560 3.803 2.241 4.161 . 0 0 "[ . 1 . 2]" 1
1004 1 61 ARG HA 1 64 HIS QB . . 4.570 2.926 2.484 3.559 . 0 0 "[ . 1 . 2]" 1
1005 1 62 ALA H 1 65 MET QG . . 6.880 4.701 3.995 6.915 0.035 5 0 "[ . 1 . 2]" 1
1006 1 62 ALA HA 1 65 MET QB . . 4.830 3.030 1.997 4.036 . 0 0 "[ . 1 . 2]" 1
1007 1 62 ALA HA 1 65 MET QG . . 6.270 2.646 1.725 4.614 . 0 0 "[ . 1 . 2]" 1
1008 1 63 LEU H 1 65 MET QG . . 6.880 4.925 4.215 6.930 0.050 5 0 "[ . 1 . 2]" 1
1009 1 63 LEU HA 1 66 LYS QD . . 5.580 3.389 2.197 5.131 . 0 0 "[ . 1 . 2]" 1
1010 1 63 LEU HA 1 66 LYS QE . . 5.650 4.072 2.402 5.210 . 0 0 "[ . 1 . 2]" 1
1011 1 63 LEU MD2 1 66 LYS QE . . 7.900 3.709 1.878 4.846 . 0 0 "[ . 1 . 2]" 1
1012 1 66 LYS H 1 66 LYS QB . . 3.350 2.489 2.224 2.864 . 0 0 "[ . 1 . 2]" 1
1013 1 66 LYS H 1 66 LYS QG . . 4.000 2.466 1.780 3.971 . 0 0 "[ . 1 . 2]" 1
1014 1 66 LYS QD 1 67 GLU H . . 6.880 4.334 2.930 5.496 . 0 0 "[ . 1 . 2]" 1
1015 1 67 GLU QG 1 68 HIS H . . 6.300 2.995 1.712 4.187 . 0 0 "[ . 1 . 2]" 1
1016 1 68 HIS HA 1 69 PRO QG . . 5.300 3.904 3.507 4.138 . 0 0 "[ . 1 . 2]" 1
1017 1 68 HIS QB 1 71 TYR H . . 6.880 4.712 2.906 7.021 0.141 20 0 "[ . 1 . 2]" 1
1018 1 68 HIS QB 1 71 TYR QB . . 6.500 4.896 2.893 7.066 0.566 20 1 "[ . 1 . +]" 1
1019 1 69 PRO QB 1 70 ASP QB . . 6.720 4.359 3.355 5.268 . 0 0 "[ . 1 . 2]" 1
1020 1 69 PRO HB3 1 70 ASP HB2 . . 7.770 6.262 4.941 7.535 . 0 0 "[ . 1 . 2]" 1
1021 1 69 PRO HB3 1 70 ASP HB3 . . 7.770 6.468 5.220 7.617 . 0 0 "[ . 1 . 2]" 1
1022 1 69 PRO QB 1 71 TYR H . . 5.760 3.550 2.059 5.007 . 0 0 "[ . 1 . 2]" 1
1023 1 69 PRO QG 1 70 ASP QB . . 7.590 5.196 3.294 6.442 . 0 0 "[ . 1 . 2]" 1
1024 1 70 ASP QB 1 71 TYR QB . . 7.440 4.670 3.400 5.582 . 0 0 "[ . 1 . 2]" 1
1025 1 71 TYR H 1 72 LYS QG . . 6.560 4.873 3.093 6.367 . 0 0 "[ . 1 . 2]" 1
1026 1 71 TYR QB 1 72 LYS HA . . 6.050 4.643 4.331 5.525 . 0 0 "[ . 1 . 2]" 1
1027 1 72 LYS H 1 72 LYS QG . . 3.460 2.547 1.791 4.151 0.691 10 1 "[ . + . 2]" 1
1028 1 72 LYS HA 1 72 LYS QE . . 6.200 4.520 3.856 5.626 . 0 0 "[ . 1 . 2]" 1
1029 1 72 LYS QB 1 73 TYR QB . . 7.510 4.549 3.514 5.489 . 0 0 "[ . 1 . 2]" 1
1030 1 74 ARG H 1 74 ARG QB . . 3.550 2.512 2.217 2.917 . 0 0 "[ . 1 . 2]" 1
1031 1 74 ARG QB 1 75 PRO QD . . 7.230 2.356 1.828 3.244 . 0 0 "[ . 1 . 2]" 1
1032 1 74 ARG QD 1 75 PRO QD . . 7.770 3.813 2.467 4.645 . 0 0 "[ . 1 . 2]" 1
1033 1 75 PRO QB 1 77 ARG H . . 5.080 4.268 2.392 5.883 0.803 8 2 "[ . + - . 2]" 1
1034 1 76 ARG QB 1 77 ARG H . . 4.180 2.704 1.880 3.625 . 0 0 "[ . 1 . 2]" 1
1035 1 78 LYS QG 1 79 THR H . . 5.660 3.684 1.833 4.723 . 0 0 "[ . 1 . 2]" 1
1036 1 78 LYS QG 1 80 LYS H . . 6.880 5.127 2.738 6.601 . 0 0 "[ . 1 . 2]" 1
1037 1 78 LYS QD 1 79 THR H . . 5.870 4.522 2.229 6.025 0.155 3 0 "[ . 1 . 2]" 1
1038 1 80 LYS H 1 80 LYS QB . . 3.840 2.531 2.117 3.025 . 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 60
_Distance_constraint_stats_list.Viol_count 750
_Distance_constraint_stats_list.Viol_total 3320.078
_Distance_constraint_stats_list.Viol_max 0.502
_Distance_constraint_stats_list.Viol_rms 0.1492
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1383
_Distance_constraint_stats_list.Viol_average_violations_only 0.2213
_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 10 ALA 0.469 0.257 11 0 "[ . 1 . 2]"
1 11 PHE 10.694 0.413 3 0 "[ . 1 . 2]"
1 12 MET 8.827 0.448 18 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TRP 3.333 0.452 2 0 "[ . 1 . 2]"
1 15 SER 34.604 0.502 2 1 "[ + . 1 . 2]"
1 16 ARG 6.356 0.372 2 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLN 3.198 0.452 2 0 "[ . 1 . 2]"
1 19 ARG 21.636 0.502 2 1 "[ + . 1 . 2]"
1 20 ARG 15.852 0.424 14 0 "[ . 1 . 2]"
1 22 MET 0.334 0.131 19 0 "[ . 1 . 2]"
1 23 ALA 6.553 0.361 12 0 "[ . 1 . 2]"
1 24 GLN 9.496 0.424 14 0 "[ . 1 . 2]"
1 31 ASN 6.034 0.387 1 0 "[ . 1 . 2]"
1 32 SER 8.588 0.433 13 0 "[ . 1 . 2]"
1 33 GLU 10.496 0.450 20 0 "[ . 1 . 2]"
1 34 ILE 1.629 0.309 2 0 "[ . 1 . 2]"
1 35 SER 26.687 0.433 13 0 "[ . 1 . 2]"
1 36 LYS 18.666 0.450 20 0 "[ . 1 . 2]"
1 37 ARG 2.204 0.255 2 0 "[ . 1 . 2]"
1 38 LEU 2.253 0.309 2 0 "[ . 1 . 2]"
1 39 GLY 22.950 0.407 9 0 "[ . 1 . 2]"
1 40 ALA 9.747 0.366 19 0 "[ . 1 . 2]"
1 41 GLU 0.627 0.255 2 0 "[ . 1 . 2]"
1 42 TRP 0.624 0.141 17 0 "[ . 1 . 2]"
1 43 LYS 10.886 0.407 9 0 "[ . 1 . 2]"
1 53 PHE 12.192 0.425 5 0 "[ . 1 . 2]"
1 54 ILE 5.271 0.357 13 0 "[ . 1 . 2]"
1 55 ASP 4.524 0.388 6 0 "[ . 1 . 2]"
1 56 GLU 2.483 0.321 7 0 "[ . 1 . 2]"
1 57 ALA 15.334 0.425 5 0 "[ . 1 . 2]"
1 58 LYS 7.581 0.357 13 0 "[ . 1 . 2]"
1 59 ARG 5.883 0.388 6 0 "[ . 1 . 2]"
1 60 LEU 7.807 0.365 1 0 "[ . 1 . 2]"
1 61 ARG 5.933 0.332 18 0 "[ . 1 . 2]"
1 62 ALA 7.547 0.439 2 0 "[ . 1 . 2]"
1 63 LEU 1.359 0.175 3 0 "[ . 1 . 2]"
1 64 HIS 5.324 0.365 1 0 "[ . 1 . 2]"
1 65 MET 2.791 0.320 5 0 "[ . 1 . 2]"
1 66 LYS 5.237 0.439 2 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 10 ALA O 1 14 TRP H . . 2.000 1.858 1.761 2.257 0.257 11 0 "[ . 1 . 2]" 2
2 1 10 ALA O 1 14 TRP N . . 3.000 2.811 2.695 3.211 0.211 11 0 "[ . 1 . 2]" 2
3 1 11 PHE O 1 15 SER H . . 2.000 2.353 2.243 2.413 0.413 3 0 "[ . 1 . 2]" 2
4 1 11 PHE O 1 15 SER N . . 3.000 3.182 3.062 3.277 0.277 3 0 "[ . 1 . 2]" 2
5 1 12 MET O 1 15 SER H . . 2.000 2.419 2.383 2.448 0.448 18 0 "[ . 1 . 2]" 2
6 1 12 MET O 1 15 SER N . . 3.000 3.014 2.932 3.081 0.081 4 0 "[ . 1 . 2]" 2
7 1 13 VAL O 1 17 GLY H . . 2.000 1.788 1.657 1.992 . 0 0 "[ . 1 . 2]" 2
8 1 13 VAL O 1 17 GLY N . . 3.000 2.639 2.560 2.748 . 0 0 "[ . 1 . 2]" 2
9 1 14 TRP O 1 18 GLN H . . 2.000 2.037 1.743 2.452 0.452 2 0 "[ . 1 . 2]" 2
10 1 14 TRP O 1 18 GLN N . . 3.000 2.890 2.681 3.179 0.179 2 0 "[ . 1 . 2]" 2
11 1 15 SER O 1 19 ARG H . . 2.000 2.429 2.343 2.502 0.502 2 1 "[ + . 1 . 2]" 2
12 1 15 SER O 1 19 ARG N . . 3.000 3.325 3.224 3.396 0.396 6 0 "[ . 1 . 2]" 2
13 1 16 ARG O 1 20 ARG H . . 2.000 2.235 1.881 2.372 0.372 2 0 "[ . 1 . 2]" 2
14 1 16 ARG O 1 20 ARG N . . 3.000 3.044 2.758 3.299 0.299 8 0 "[ . 1 . 2]" 2
15 1 18 GLN O 1 22 MET H . . 2.000 1.910 1.741 2.131 0.131 19 0 "[ . 1 . 2]" 2
16 1 18 GLN O 1 22 MET N . . 3.000 2.826 2.675 3.035 0.035 19 0 "[ . 1 . 2]" 2
17 1 19 ARG O 1 23 ALA H . . 2.000 2.226 1.954 2.361 0.361 12 0 "[ . 1 . 2]" 2
18 1 19 ARG O 1 23 ALA N . . 3.000 3.066 2.810 3.277 0.277 19 0 "[ . 1 . 2]" 2
19 1 20 ARG O 1 24 GLN H . . 2.000 2.304 1.983 2.424 0.424 14 0 "[ . 1 . 2]" 2
20 1 20 ARG O 1 24 GLN N . . 3.000 3.159 2.813 3.294 0.294 3 0 "[ . 1 . 2]" 2
21 1 31 ASN O 1 35 SER H . . 2.000 2.224 2.017 2.387 0.387 1 0 "[ . 1 . 2]" 2
22 1 31 ASN O 1 35 SER N . . 3.000 3.041 2.815 3.273 0.273 1 0 "[ . 1 . 2]" 2
23 1 32 SER O 1 35 SER H . . 2.000 2.382 2.334 2.433 0.433 13 0 "[ . 1 . 2]" 2
24 1 32 SER O 1 35 SER N . . 3.000 3.037 2.929 3.198 0.198 11 0 "[ . 1 . 2]" 2
25 1 33 GLU O 1 36 LYS H . . 2.000 2.387 2.345 2.450 0.450 20 0 "[ . 1 . 2]" 2
26 1 33 GLU O 1 36 LYS N . . 3.000 3.056 2.974 3.173 0.173 20 0 "[ . 1 . 2]" 2
27 1 33 GLU O 1 37 ARG H . . 2.000 1.995 1.831 2.232 0.232 6 0 "[ . 1 . 2]" 2
28 1 33 GLU O 1 37 ARG N . . 3.000 2.962 2.794 3.171 0.171 6 0 "[ . 1 . 2]" 2
29 1 34 ILE O 1 38 LEU H . . 2.000 2.003 1.798 2.309 0.309 2 0 "[ . 1 . 2]" 2
30 1 34 ILE O 1 38 LEU N . . 3.000 2.942 2.735 3.175 0.175 2 0 "[ . 1 . 2]" 2
31 1 35 SER O 1 39 GLY H . . 2.000 2.344 2.164 2.398 0.398 20 0 "[ . 1 . 2]" 2
32 1 35 SER O 1 39 GLY N . . 3.000 3.259 3.088 3.361 0.361 11 0 "[ . 1 . 2]" 2
33 1 36 LYS O 1 40 ALA H . . 2.000 2.280 2.127 2.366 0.366 19 0 "[ . 1 . 2]" 2
34 1 36 LYS O 1 40 ALA N . . 3.000 3.208 3.064 3.305 0.305 16 0 "[ . 1 . 2]" 2
35 1 37 ARG O 1 41 GLU H . . 2.000 1.889 1.765 2.255 0.255 2 0 "[ . 1 . 2]" 2
36 1 37 ARG O 1 41 GLU N . . 3.000 2.799 2.685 3.193 0.193 2 0 "[ . 1 . 2]" 2
37 1 38 LEU O 1 42 TRP H . . 2.000 1.980 1.861 2.141 0.141 17 0 "[ . 1 . 2]" 2
38 1 38 LEU O 1 42 TRP N . . 3.000 2.894 2.775 3.115 0.115 17 0 "[ . 1 . 2]" 2
39 1 39 GLY O 1 43 LYS H . . 2.000 2.345 2.174 2.407 0.407 9 0 "[ . 1 . 2]" 2
40 1 39 GLY O 1 43 LYS N . . 3.000 3.199 3.058 3.277 0.277 20 0 "[ . 1 . 2]" 2
41 1 53 PHE O 1 57 ALA H . . 2.000 2.365 2.203 2.425 0.425 5 0 "[ . 1 . 2]" 2
42 1 53 PHE O 1 57 ALA N . . 3.000 3.245 3.048 3.339 0.339 5 0 "[ . 1 . 2]" 2
43 1 54 ILE O 1 58 LYS H . . 2.000 2.167 1.820 2.357 0.357 13 0 "[ . 1 . 2]" 2
44 1 54 ILE O 1 58 LYS N . . 3.000 3.039 2.756 3.247 0.247 7 0 "[ . 1 . 2]" 2
45 1 55 ASP O 1 59 ARG H . . 2.000 2.128 1.833 2.388 0.388 6 0 "[ . 1 . 2]" 2
46 1 55 ASP O 1 59 ARG N . . 3.000 3.027 2.743 3.289 0.289 6 0 "[ . 1 . 2]" 2
47 1 56 GLU O 1 60 LEU H . . 2.000 2.039 1.798 2.321 0.321 7 0 "[ . 1 . 2]" 2
48 1 56 GLU O 1 60 LEU N . . 3.000 2.965 2.736 3.251 0.251 7 0 "[ . 1 . 2]" 2
49 1 57 ALA O 1 61 ARG H . . 2.000 2.097 1.882 2.332 0.332 18 0 "[ . 1 . 2]" 2
50 1 57 ALA O 1 61 ARG N . . 3.000 3.002 2.841 3.248 0.248 18 0 "[ . 1 . 2]" 2
51 1 58 LYS O 1 62 ALA H . . 2.000 2.016 1.782 2.308 0.308 5 0 "[ . 1 . 2]" 2
52 1 58 LYS O 1 62 ALA N . . 3.000 2.935 2.685 3.237 0.237 5 0 "[ . 1 . 2]" 2
53 1 59 ARG O 1 63 LEU H . . 2.000 2.013 1.793 2.175 0.175 3 0 "[ . 1 . 2]" 2
54 1 59 ARG O 1 63 LEU N . . 3.000 2.934 2.766 3.129 0.129 7 0 "[ . 1 . 2]" 2
55 1 60 LEU O 1 64 HIS H . . 2.000 2.201 1.907 2.365 0.365 1 0 "[ . 1 . 2]" 2
56 1 60 LEU O 1 64 HIS N . . 3.000 3.031 2.779 3.267 0.267 3 0 "[ . 1 . 2]" 2
57 1 61 ARG O 1 65 MET H . . 2.000 2.095 1.793 2.320 0.320 5 0 "[ . 1 . 2]" 2
58 1 61 ARG O 1 65 MET N . . 3.000 2.903 2.655 3.124 0.124 1 0 "[ . 1 . 2]" 2
59 1 62 ALA O 1 66 LYS H . . 2.000 2.181 1.791 2.439 0.439 2 0 "[ . 1 . 2]" 2
60 1 62 ALA O 1 66 LYS N . . 3.000 3.006 2.701 3.321 0.321 2 0 "[ . 1 . 2]" 2
stop_
save_
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