NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461496 |
2dn0   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dn0
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 795
_Distance_constraint_stats_list.Viol_count 53
_Distance_constraint_stats_list.Viol_total 1.054
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0010
_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 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 17 0 "[ . 1 . 2]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.001 0.001 8 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 17 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 3 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 17 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 0.001 0.001 19 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 0.001 0.001 5 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.001 0.001 11 0 "[ . 1 . 2]"
1 32 PHE 0.001 0.001 11 0 "[ . 1 . 2]"
1 33 PRO 0.001 0.000 19 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 11 0 "[ . 1 . 2]"
1 35 GLN 0.002 0.001 6 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.003 0.002 3 0 "[ . 1 . 2]"
1 38 VAL 0.006 0.001 4 0 "[ . 1 . 2]"
1 39 GLU 0.001 0.001 17 0 "[ . 1 . 2]"
1 40 HIS 0.007 0.002 20 0 "[ . 1 . 2]"
1 41 LEU 0.002 0.002 20 0 "[ . 1 . 2]"
1 42 THR 0.012 0.009 20 0 "[ . 1 . 2]"
1 43 LYS 0.002 0.001 3 0 "[ . 1 . 2]"
1 44 VAL 0.009 0.004 20 0 "[ . 1 . 2]"
1 45 THR 0.016 0.004 20 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.003 0.001 17 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 19 0 "[ . 1 . 2]"
1 49 THR 0.001 0.001 20 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.006 0.003 15 0 "[ . 1 . 2]"
1 52 VAL 0.014 0.009 20 0 "[ . 1 . 2]"
1 53 ARG 0.001 0.001 6 0 "[ . 1 . 2]"
1 54 LYS 0.001 0.001 3 0 "[ . 1 . 2]"
1 55 TRP 0.001 0.001 19 0 "[ . 1 . 2]"
1 56 PHE 0.001 0.001 6 0 "[ . 1 . 2]"
1 57 SER 0.001 0.001 3 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 19 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.001 0.001 20 0 "[ . 1 . 2]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 ILE H 1 10 ILE MD . . 5.500 3.334 1.751 4.439 . 0 0 "[ . 1 . 2]" 1
2 1 10 ILE H 1 10 ILE QG . . 5.100 2.561 1.886 4.044 . 0 0 "[ . 1 . 2]" 1
3 1 10 ILE HA 1 10 ILE MD . . 4.460 3.332 2.050 4.162 . 0 0 "[ . 1 . 2]" 1
4 1 10 ILE HA 1 10 ILE MG . . 3.550 2.415 2.047 3.202 . 0 0 "[ . 1 . 2]" 1
5 1 10 ILE HB 1 11 TYR H . . 4.930 3.681 2.236 4.467 . 0 0 "[ . 1 . 2]" 1
6 1 10 ILE QG 1 10 ILE MG . . 3.210 2.169 1.951 2.420 . 0 0 "[ . 1 . 2]" 1
7 1 11 TYR H 1 11 TYR QD . . 5.150 2.967 1.906 4.535 . 0 0 "[ . 1 . 2]" 1
8 1 11 TYR HA 1 11 TYR QD . . 3.940 3.085 2.282 3.735 . 0 0 "[ . 1 . 2]" 1
9 1 14 LYS HA 1 14 LYS QD . . 4.670 3.540 2.019 4.407 . 0 0 "[ . 1 . 2]" 1
10 1 14 LYS QB 1 15 LYS H . . 4.470 3.321 2.459 4.028 . 0 0 "[ . 1 . 2]" 1
11 1 15 LYS HA 1 15 LYS HD2 . . 4.560 4.089 2.875 4.558 . 0 0 "[ . 1 . 2]" 1
12 1 15 LYS HA 1 15 LYS QD . . 3.810 3.446 2.271 3.810 . 0 0 "[ . 1 . 2]" 1
13 1 15 LYS HA 1 15 LYS HD3 . . 4.560 3.819 2.296 4.502 . 0 0 "[ . 1 . 2]" 1
14 1 15 LYS HA 1 15 LYS QG . . 3.630 2.310 2.148 2.844 . 0 0 "[ . 1 . 2]" 1
15 1 15 LYS QB 1 15 LYS QD . . 3.320 2.138 2.092 2.268 . 0 0 "[ . 1 . 2]" 1
16 1 15 LYS QB 1 20 LEU QD . . 3.840 2.994 1.862 3.840 0.000 17 0 "[ . 1 . 2]" 1
17 1 15 LYS QD 1 20 LEU QD . . 4.190 3.062 2.025 3.918 . 0 0 "[ . 1 . 2]" 1
18 1 15 LYS QD 1 47 LEU MD1 . . 4.400 3.379 2.205 4.390 . 0 0 "[ . 1 . 2]" 1
19 1 15 LYS QD 1 55 TRP HE1 . . 5.040 4.342 3.178 4.983 . 0 0 "[ . 1 . 2]" 1
20 1 15 LYS QE 1 20 LEU QD . . 5.100 3.997 1.914 4.984 . 0 0 "[ . 1 . 2]" 1
21 1 15 LYS QE 1 23 LEU QD . . 4.480 3.987 3.180 4.479 . 0 0 "[ . 1 . 2]" 1
22 1 15 LYS QE 1 47 LEU MD1 . . 3.860 2.692 1.877 3.474 . 0 0 "[ . 1 . 2]" 1
23 1 15 LYS QE 1 47 LEU MD2 . . 4.040 3.291 2.508 4.038 . 0 0 "[ . 1 . 2]" 1
24 1 15 LYS QE 1 55 TRP HD1 . . 4.170 3.391 2.247 4.167 . 0 0 "[ . 1 . 2]" 1
25 1 15 LYS QG 1 47 LEU MD2 . . 4.790 4.263 3.476 4.764 . 0 0 "[ . 1 . 2]" 1
26 1 17 HIS HA 1 20 LEU H . . 4.420 3.129 2.831 3.395 . 0 0 "[ . 1 . 2]" 1
27 1 17 HIS HA 1 20 LEU HA . . 4.800 4.733 4.586 4.799 . 0 0 "[ . 1 . 2]" 1
28 1 17 HIS HA 1 20 LEU HB2 . . 4.600 2.373 2.018 3.331 . 0 0 "[ . 1 . 2]" 1
29 1 17 HIS HA 1 20 LEU QB . . 3.810 2.082 1.969 2.256 . 0 0 "[ . 1 . 2]" 1
30 1 17 HIS HA 1 20 LEU HB3 . . 4.600 2.725 2.018 3.729 . 0 0 "[ . 1 . 2]" 1
31 1 17 HIS HA 1 20 LEU QD . . 4.240 2.926 2.011 3.830 . 0 0 "[ . 1 . 2]" 1
32 1 18 GLU H 1 18 GLU QG . . 4.770 3.012 1.893 4.047 . 0 0 "[ . 1 . 2]" 1
33 1 18 GLU H 1 19 GLN H . . 4.900 2.935 2.489 3.122 . 0 0 "[ . 1 . 2]" 1
34 1 18 GLU HA 1 18 GLU HG2 . . 3.950 3.152 2.285 3.855 . 0 0 "[ . 1 . 2]" 1
35 1 18 GLU HA 1 18 GLU QG . . 3.450 2.595 2.224 3.339 . 0 0 "[ . 1 . 2]" 1
36 1 18 GLU HA 1 18 GLU HG3 . . 3.950 2.964 2.248 3.883 . 0 0 "[ . 1 . 2]" 1
37 1 18 GLU QB 1 19 GLN H . . 3.950 2.624 2.114 3.452 . 0 0 "[ . 1 . 2]" 1
38 1 19 GLN H 1 19 GLN HB2 . . 4.170 2.828 2.203 3.701 . 0 0 "[ . 1 . 2]" 1
39 1 19 GLN H 1 19 GLN QB . . 3.510 2.467 2.181 2.873 . 0 0 "[ . 1 . 2]" 1
40 1 19 GLN H 1 19 GLN HB3 . . 4.170 3.304 2.469 3.710 . 0 0 "[ . 1 . 2]" 1
41 1 19 GLN H 1 19 GLN QG . . 3.590 2.462 1.891 3.038 . 0 0 "[ . 1 . 2]" 1
42 1 19 GLN H 1 20 LEU H . . 3.760 2.361 1.940 2.558 . 0 0 "[ . 1 . 2]" 1
43 1 19 GLN HA 1 19 GLN HG2 . . 4.250 3.106 2.669 4.213 . 0 0 "[ . 1 . 2]" 1
44 1 19 GLN HA 1 19 GLN QG . . 3.670 2.743 2.272 3.421 . 0 0 "[ . 1 . 2]" 1
45 1 19 GLN HA 1 19 GLN HG3 . . 4.250 3.079 2.405 3.929 . 0 0 "[ . 1 . 2]" 1
46 1 19 GLN HA 1 22 ALA MB . . 3.780 3.031 2.460 3.372 . 0 0 "[ . 1 . 2]" 1
47 1 19 GLN HA 1 23 LEU H . . 4.930 4.716 4.257 4.930 . 0 0 "[ . 1 . 2]" 1
48 1 19 GLN HA 1 45 THR MG . . 3.640 3.133 2.270 3.585 . 0 0 "[ . 1 . 2]" 1
49 1 19 GLN QB 1 20 LEU H . . 3.590 2.866 2.386 3.571 . 0 0 "[ . 1 . 2]" 1
50 1 19 GLN QB 1 45 THR HA . . 4.710 2.910 1.923 3.891 . 0 0 "[ . 1 . 2]" 1
51 1 19 GLN QB 1 45 THR MG . . 3.980 2.209 1.959 2.658 . 0 0 "[ . 1 . 2]" 1
52 1 19 GLN QB 1 47 LEU MD1 . . 4.610 3.626 2.579 4.073 . 0 0 "[ . 1 . 2]" 1
53 1 19 GLN QB 1 47 LEU HG . . 5.340 4.608 3.876 5.341 0.001 8 0 "[ . 1 . 2]" 1
54 1 19 GLN HB2 1 20 LEU H . . 4.200 3.026 2.466 3.930 . 0 0 "[ . 1 . 2]" 1
55 1 19 GLN HB2 1 47 LEU MD1 . . 5.240 4.226 2.811 4.993 . 0 0 "[ . 1 . 2]" 1
56 1 19 GLN HB3 1 20 LEU H . . 4.200 3.671 3.178 4.130 . 0 0 "[ . 1 . 2]" 1
57 1 19 GLN HB3 1 47 LEU MD1 . . 5.240 4.201 3.000 5.240 . 0 0 "[ . 1 . 2]" 1
58 1 19 GLN QE 1 19 GLN QG . . 2.960 2.217 2.066 2.468 . 0 0 "[ . 1 . 2]" 1
59 1 19 GLN QE 1 45 THR HA . . 4.130 3.105 1.990 3.938 . 0 0 "[ . 1 . 2]" 1
60 1 19 GLN QE 1 45 THR HB . . 3.840 2.356 1.886 3.370 . 0 0 "[ . 1 . 2]" 1
61 1 19 GLN QE 1 45 THR MG . . 4.730 3.572 2.720 4.497 . 0 0 "[ . 1 . 2]" 1
62 1 19 GLN QE 1 47 LEU MD1 . . 4.260 2.855 1.897 4.028 . 0 0 "[ . 1 . 2]" 1
63 1 19 GLN QE 1 47 LEU MD2 . . 3.600 2.852 2.270 3.599 . 0 0 "[ . 1 . 2]" 1
64 1 19 GLN HE21 1 45 THR HA . . 4.730 3.227 1.999 4.368 . 0 0 "[ . 1 . 2]" 1
65 1 19 GLN HE21 1 45 THR HB . . 4.620 2.435 1.900 4.026 . 0 0 "[ . 1 . 2]" 1
66 1 19 GLN HE21 1 47 LEU MD1 . . 4.860 3.148 2.067 4.851 . 0 0 "[ . 1 . 2]" 1
67 1 19 GLN HE21 1 47 LEU MD2 . . 4.230 3.668 2.774 4.227 . 0 0 "[ . 1 . 2]" 1
68 1 19 GLN HE21 1 47 LEU HG . . 4.450 3.218 2.408 4.433 . 0 0 "[ . 1 . 2]" 1
69 1 19 GLN HE22 1 45 THR HA . . 4.730 4.374 3.684 4.730 0.000 11 0 "[ . 1 . 2]" 1
70 1 19 GLN HE22 1 45 THR HB . . 4.620 3.570 2.866 4.482 . 0 0 "[ . 1 . 2]" 1
71 1 19 GLN HE22 1 47 LEU MD1 . . 4.860 3.451 2.206 4.757 . 0 0 "[ . 1 . 2]" 1
72 1 19 GLN HE22 1 47 LEU MD2 . . 4.230 3.014 2.293 4.068 . 0 0 "[ . 1 . 2]" 1
73 1 19 GLN HE22 1 47 LEU HG . . 4.450 3.266 2.370 4.313 . 0 0 "[ . 1 . 2]" 1
74 1 19 GLN QG 1 20 LEU H . . 4.640 3.441 1.872 4.383 . 0 0 "[ . 1 . 2]" 1
75 1 19 GLN QG 1 45 THR HA . . 3.910 2.676 1.985 3.910 . 19 0 "[ . 1 . 2]" 1
76 1 19 GLN QG 1 45 THR HB . . 3.600 2.957 2.199 3.580 . 0 0 "[ . 1 . 2]" 1
77 1 19 GLN QG 1 45 THR MG . . 3.800 3.068 2.066 3.743 . 0 0 "[ . 1 . 2]" 1
78 1 19 GLN QG 1 47 LEU MD1 . . 4.560 4.125 3.481 4.560 . 6 0 "[ . 1 . 2]" 1
79 1 19 GLN HG2 1 45 THR MG . . 4.620 3.463 2.083 4.578 . 0 0 "[ . 1 . 2]" 1
80 1 19 GLN HG3 1 45 THR MG . . 4.620 3.974 3.293 4.619 . 0 0 "[ . 1 . 2]" 1
81 1 20 LEU H 1 20 LEU HB2 . . 3.760 2.245 2.163 2.389 . 0 0 "[ . 1 . 2]" 1
82 1 20 LEU H 1 20 LEU QB . . 3.060 2.182 2.112 2.356 . 0 0 "[ . 1 . 2]" 1
83 1 20 LEU H 1 20 LEU HB3 . . 3.760 3.061 2.706 3.575 . 0 0 "[ . 1 . 2]" 1
84 1 20 LEU H 1 20 LEU MD1 . . 4.980 3.715 1.913 4.282 . 0 0 "[ . 1 . 2]" 1
85 1 20 LEU H 1 20 LEU QD . . 4.350 3.295 1.881 3.688 . 0 0 "[ . 1 . 2]" 1
86 1 20 LEU H 1 20 LEU MD2 . . 4.980 3.937 1.886 4.384 . 0 0 "[ . 1 . 2]" 1
87 1 20 LEU H 1 20 LEU HG . . 4.590 4.029 2.428 4.579 . 0 0 "[ . 1 . 2]" 1
88 1 20 LEU HA 1 20 LEU MD1 . . 3.990 2.837 1.993 3.859 . 0 0 "[ . 1 . 2]" 1
89 1 20 LEU HA 1 20 LEU QD . . 3.340 2.267 1.931 2.902 . 0 0 "[ . 1 . 2]" 1
90 1 20 LEU HA 1 20 LEU MD2 . . 3.990 3.056 1.978 3.883 . 0 0 "[ . 1 . 2]" 1
91 1 20 LEU HA 1 23 LEU H . . 4.050 3.632 3.174 4.021 . 0 0 "[ . 1 . 2]" 1
92 1 20 LEU HA 1 23 LEU QB . . 4.330 2.984 2.546 3.463 . 0 0 "[ . 1 . 2]" 1
93 1 20 LEU HA 1 23 LEU QD . . 4.180 2.634 1.978 3.199 . 0 0 "[ . 1 . 2]" 1
94 1 20 LEU HA 1 24 LYS H . . 4.460 4.077 3.537 4.417 . 0 0 "[ . 1 . 2]" 1
95 1 20 LEU QB 1 20 LEU QD . . 2.700 1.895 1.771 2.005 . 0 0 "[ . 1 . 2]" 1
96 1 20 LEU QB 1 21 SER H . . 3.670 2.281 2.035 2.594 . 0 0 "[ . 1 . 2]" 1
97 1 20 LEU QB 1 21 SER QB . . 5.340 3.990 3.756 4.333 . 0 0 "[ . 1 . 2]" 1
98 1 20 LEU HB2 1 20 LEU MD1 . . 3.560 2.398 1.983 3.187 . 0 0 "[ . 1 . 2]" 1
99 1 20 LEU HB2 1 20 LEU MD2 . . 3.560 2.685 2.148 3.183 . 0 0 "[ . 1 . 2]" 1
100 1 20 LEU HB2 1 21 SER H . . 4.260 3.204 2.350 3.828 . 0 0 "[ . 1 . 2]" 1
101 1 20 LEU HB3 1 20 LEU MD1 . . 3.560 2.766 2.128 3.196 . 0 0 "[ . 1 . 2]" 1
102 1 20 LEU HB3 1 20 LEU MD2 . . 3.560 2.400 2.026 3.187 . 0 0 "[ . 1 . 2]" 1
103 1 20 LEU HB3 1 21 SER H . . 4.260 2.506 2.052 3.292 . 0 0 "[ . 1 . 2]" 1
104 1 20 LEU QD 1 23 LEU QD . . 4.490 2.963 2.451 3.812 . 0 0 "[ . 1 . 2]" 1
105 1 20 LEU QD 1 24 LYS H . . 4.880 3.988 3.155 4.831 . 0 0 "[ . 1 . 2]" 1
106 1 20 LEU QD 1 24 LYS QD . . 4.540 2.944 1.841 4.159 . 0 0 "[ . 1 . 2]" 1
107 1 20 LEU QD 1 24 LYS QE . . 4.270 2.995 1.930 4.229 . 0 0 "[ . 1 . 2]" 1
108 1 20 LEU QD 1 55 TRP HD1 . . 5.080 3.799 3.017 4.320 . 0 0 "[ . 1 . 2]" 1
109 1 20 LEU QD 1 55 TRP HE1 . . 3.450 2.210 1.808 2.823 . 0 0 "[ . 1 . 2]" 1
110 1 20 LEU QD 1 55 TRP HZ2 . . 3.970 2.473 1.897 3.537 . 0 0 "[ . 1 . 2]" 1
111 1 20 LEU MD1 1 24 LYS QE . . 5.500 4.006 1.937 5.493 . 0 0 "[ . 1 . 2]" 1
112 1 20 LEU MD1 1 55 TRP HE1 . . 4.390 2.900 1.818 4.290 . 0 0 "[ . 1 . 2]" 1
113 1 20 LEU MD1 1 55 TRP HZ2 . . 4.610 3.299 2.008 4.601 . 0 0 "[ . 1 . 2]" 1
114 1 20 LEU MD2 1 24 LYS QE . . 5.500 3.471 2.200 5.474 . 0 0 "[ . 1 . 2]" 1
115 1 20 LEU MD2 1 55 TRP HE1 . . 4.390 3.186 1.815 4.378 . 0 0 "[ . 1 . 2]" 1
116 1 20 LEU MD2 1 55 TRP HZ2 . . 4.610 3.211 1.902 4.608 . 0 0 "[ . 1 . 2]" 1
117 1 20 LEU HG 1 55 TRP HE1 . . 5.500 4.088 1.963 5.297 . 0 0 "[ . 1 . 2]" 1
118 1 21 SER H 1 21 SER QB . . 3.520 2.328 2.178 2.529 . 0 0 "[ . 1 . 2]" 1
119 1 21 SER H 1 22 ALA H . . 4.600 3.023 2.821 3.181 . 0 0 "[ . 1 . 2]" 1
120 1 21 SER HA 1 24 LYS HB2 . . 4.500 2.658 2.147 3.071 . 0 0 "[ . 1 . 2]" 1
121 1 21 SER HA 1 24 LYS QB . . 3.840 2.628 2.133 3.016 . 0 0 "[ . 1 . 2]" 1
122 1 21 SER HA 1 24 LYS HB3 . . 4.500 4.156 3.683 4.475 . 0 0 "[ . 1 . 2]" 1
123 1 21 SER HA 1 24 LYS QD . . 4.540 3.066 2.152 4.348 . 0 0 "[ . 1 . 2]" 1
124 1 21 SER QB 1 22 ALA H . . 4.470 2.656 2.086 3.607 . 0 0 "[ . 1 . 2]" 1
125 1 21 SER QB 1 24 LYS QD . . 5.500 4.592 3.952 5.480 . 0 0 "[ . 1 . 2]" 1
126 1 22 ALA H 1 22 ALA MB . . 3.450 2.150 2.027 2.240 . 0 0 "[ . 1 . 2]" 1
127 1 22 ALA HA 1 25 GLY H . . 3.950 3.721 3.511 3.887 . 0 0 "[ . 1 . 2]" 1
128 1 22 ALA MB 1 23 LEU H . . 3.060 2.275 2.040 2.484 . 0 0 "[ . 1 . 2]" 1
129 1 22 ALA MB 1 23 LEU MD1 . . 4.920 4.224 2.698 4.602 . 0 0 "[ . 1 . 2]" 1
130 1 22 ALA MB 1 23 LEU QD . . 4.020 3.576 2.685 3.881 . 0 0 "[ . 1 . 2]" 1
131 1 22 ALA MB 1 23 LEU MD2 . . 4.920 3.967 3.562 4.849 . 0 0 "[ . 1 . 2]" 1
132 1 22 ALA MB 1 24 LYS H . . 4.960 4.482 4.204 4.687 . 0 0 "[ . 1 . 2]" 1
133 1 22 ALA MB 1 25 GLY H . . 4.810 4.708 4.492 4.804 . 0 0 "[ . 1 . 2]" 1
134 1 22 ALA MB 1 41 LEU QD . . 3.020 2.782 2.168 3.020 0.000 3 0 "[ . 1 . 2]" 1
135 1 22 ALA MB 1 44 VAL HB . . 4.260 3.350 2.703 3.693 . 0 0 "[ . 1 . 2]" 1
136 1 22 ALA MB 1 44 VAL MG1 . . 3.320 2.218 1.838 2.937 . 0 0 "[ . 1 . 2]" 1
137 1 22 ALA MB 1 44 VAL MG2 . . 3.810 3.677 3.261 3.810 . 0 0 "[ . 1 . 2]" 1
138 1 23 LEU H 1 23 LEU QB . . 3.190 2.428 2.216 2.550 . 0 0 "[ . 1 . 2]" 1
139 1 23 LEU H 1 23 LEU QD . . 4.100 3.038 2.060 3.327 . 0 0 "[ . 1 . 2]" 1
140 1 23 LEU H 1 23 LEU HG . . 3.430 2.328 2.017 3.240 . 0 0 "[ . 1 . 2]" 1
141 1 23 LEU H 1 24 LYS H . . 3.480 2.878 2.564 3.056 . 0 0 "[ . 1 . 2]" 1
142 1 23 LEU H 1 24 LYS QB . . 4.960 4.681 4.530 4.809 . 0 0 "[ . 1 . 2]" 1
143 1 23 LEU H 1 41 LEU QD . . 4.620 3.636 3.244 3.943 . 0 0 "[ . 1 . 2]" 1
144 1 23 LEU H 1 45 THR MG . . 4.410 3.590 3.133 4.410 . 0 0 "[ . 1 . 2]" 1
145 1 23 LEU HA 1 23 LEU QD . . 3.140 2.260 1.973 3.002 . 0 0 "[ . 1 . 2]" 1
146 1 23 LEU HA 1 41 LEU MD1 . . 4.550 3.380 2.623 3.917 . 0 0 "[ . 1 . 2]" 1
147 1 23 LEU HA 1 41 LEU QD . . 3.580 2.377 1.884 2.733 . 0 0 "[ . 1 . 2]" 1
148 1 23 LEU HA 1 41 LEU MD2 . . 4.550 2.448 1.898 2.913 . 0 0 "[ . 1 . 2]" 1
149 1 23 LEU QB 1 24 LYS H . . 3.560 2.385 2.144 2.638 . 0 0 "[ . 1 . 2]" 1
150 1 23 LEU HB2 1 24 LYS H . . 4.410 2.439 2.170 2.709 . 0 0 "[ . 1 . 2]" 1
151 1 23 LEU HB3 1 24 LYS H . . 4.410 3.389 3.051 3.642 . 0 0 "[ . 1 . 2]" 1
152 1 23 LEU QD 1 24 LYS H . . 4.730 3.912 3.708 4.111 . 0 0 "[ . 1 . 2]" 1
153 1 23 LEU QD 1 38 VAL HA . . 5.440 5.263 4.800 5.440 0.000 17 0 "[ . 1 . 2]" 1
154 1 23 LEU QD 1 41 LEU QB . . 3.370 2.699 2.371 3.204 . 0 0 "[ . 1 . 2]" 1
155 1 23 LEU QD 1 41 LEU QD . . 3.130 1.974 1.654 2.334 . 0 0 "[ . 1 . 2]" 1
156 1 23 LEU QD 1 41 LEU HG . . 4.600 4.239 3.709 4.531 . 0 0 "[ . 1 . 2]" 1
157 1 23 LEU QD 1 45 THR MG . . 3.150 2.298 1.784 2.817 . 0 0 "[ . 1 . 2]" 1
158 1 23 LEU QD 1 47 LEU MD1 . . 3.630 2.801 2.107 3.594 . 0 0 "[ . 1 . 2]" 1
159 1 23 LEU QD 1 52 VAL HA . . 4.260 2.976 2.601 3.323 . 0 0 "[ . 1 . 2]" 1
160 1 23 LEU QD 1 52 VAL MG1 . . 3.380 2.187 1.858 2.491 . 0 0 "[ . 1 . 2]" 1
161 1 23 LEU QD 1 52 VAL MG2 . . 3.450 3.110 2.665 3.433 . 0 0 "[ . 1 . 2]" 1
162 1 23 LEU QD 1 55 TRP H . . 5.440 4.537 4.078 4.974 . 0 0 "[ . 1 . 2]" 1
163 1 23 LEU QD 1 55 TRP HB2 . . 4.700 3.262 2.786 3.769 . 0 0 "[ . 1 . 2]" 1
164 1 23 LEU QD 1 55 TRP HB3 . . 4.760 2.839 2.451 3.262 . 0 0 "[ . 1 . 2]" 1
165 1 23 LEU QD 1 55 TRP HD1 . . 5.060 3.574 3.132 4.221 . 0 0 "[ . 1 . 2]" 1
166 1 23 LEU QD 1 55 TRP HE1 . . 4.480 3.604 3.134 4.311 . 0 0 "[ . 1 . 2]" 1
167 1 23 LEU QD 1 55 TRP HE3 . . 4.550 3.052 2.271 3.657 . 0 0 "[ . 1 . 2]" 1
168 1 23 LEU QD 1 56 PHE QE . . 3.590 2.411 1.918 3.169 . 0 0 "[ . 1 . 2]" 1
169 1 23 LEU MD1 1 45 THR MG . . 4.050 2.699 1.792 3.156 . 0 0 "[ . 1 . 2]" 1
170 1 23 LEU MD2 1 45 THR MG . . 4.050 2.605 2.021 3.341 . 0 0 "[ . 1 . 2]" 1
171 1 23 LEU HG 1 24 LYS H . . 5.230 4.417 4.132 4.881 . 0 0 "[ . 1 . 2]" 1
172 1 24 LYS H 1 24 LYS HB2 . . 3.700 2.388 2.226 2.606 . 0 0 "[ . 1 . 2]" 1
173 1 24 LYS H 1 24 LYS QB . . 3.050 2.353 2.203 2.549 . 0 0 "[ . 1 . 2]" 1
174 1 24 LYS H 1 24 LYS HB3 . . 3.700 3.570 3.519 3.611 . 0 0 "[ . 1 . 2]" 1
175 1 24 LYS H 1 24 LYS QD . . 4.840 3.976 3.298 4.474 . 0 0 "[ . 1 . 2]" 1
176 1 24 LYS H 1 24 LYS HG2 . . 4.330 3.488 2.865 4.030 . 0 0 "[ . 1 . 2]" 1
177 1 24 LYS H 1 24 LYS QG . . 3.800 2.453 2.076 2.711 . 0 0 "[ . 1 . 2]" 1
178 1 24 LYS H 1 24 LYS HG3 . . 4.330 2.513 2.096 2.808 . 0 0 "[ . 1 . 2]" 1
179 1 24 LYS H 1 25 GLY H . . 3.610 2.884 2.696 3.025 . 0 0 "[ . 1 . 2]" 1
180 1 24 LYS H 1 55 TRP HH2 . . 4.990 3.848 3.068 4.565 . 0 0 "[ . 1 . 2]" 1
181 1 24 LYS HA 1 24 LYS QD . . 4.570 3.949 3.658 4.180 . 0 0 "[ . 1 . 2]" 1
182 1 24 LYS HA 1 24 LYS HG2 . . 4.180 2.423 2.180 2.806 . 0 0 "[ . 1 . 2]" 1
183 1 24 LYS HA 1 24 LYS QG . . 3.630 2.298 2.143 2.435 . 0 0 "[ . 1 . 2]" 1
184 1 24 LYS HA 1 24 LYS HG3 . . 4.180 3.007 2.542 3.378 . 0 0 "[ . 1 . 2]" 1
185 1 24 LYS HA 1 27 PHE H . . 4.520 3.802 3.028 4.300 . 0 0 "[ . 1 . 2]" 1
186 1 24 LYS HA 1 27 PHE HB2 . . 4.130 3.593 3.018 4.087 . 0 0 "[ . 1 . 2]" 1
187 1 24 LYS HA 1 27 PHE QB . . 3.590 2.649 2.124 3.368 . 0 0 "[ . 1 . 2]" 1
188 1 24 LYS HA 1 27 PHE HB3 . . 4.130 2.772 2.171 3.856 . 0 0 "[ . 1 . 2]" 1
189 1 24 LYS HA 1 55 TRP HH2 . . 3.980 2.539 2.070 3.110 . 0 0 "[ . 1 . 2]" 1
190 1 24 LYS QB 1 24 LYS QD . . 3.360 2.137 2.026 2.285 . 0 0 "[ . 1 . 2]" 1
191 1 24 LYS QB 1 24 LYS QE . . 3.980 2.867 1.973 3.671 . 0 0 "[ . 1 . 2]" 1
192 1 24 LYS QB 1 25 GLY H . . 3.380 2.488 2.304 2.735 . 0 0 "[ . 1 . 2]" 1
193 1 24 LYS HB2 1 24 LYS QE . . 4.730 3.520 2.186 4.230 . 0 0 "[ . 1 . 2]" 1
194 1 24 LYS HB2 1 25 GLY H . . 4.040 2.573 2.358 2.886 . 0 0 "[ . 1 . 2]" 1
195 1 24 LYS HB3 1 24 LYS QE . . 4.730 3.197 1.990 4.155 . 0 0 "[ . 1 . 2]" 1
196 1 24 LYS HB3 1 25 GLY H . . 4.040 3.333 3.114 3.582 . 0 0 "[ . 1 . 2]" 1
197 1 24 LYS QD 1 55 TRP HZ2 . . 5.080 4.252 3.464 5.072 . 0 0 "[ . 1 . 2]" 1
198 1 24 LYS QE 1 24 LYS HG2 . . 3.690 2.588 2.113 3.454 . 0 0 "[ . 1 . 2]" 1
199 1 24 LYS QE 1 24 LYS QG . . 3.220 2.250 2.028 2.617 . 0 0 "[ . 1 . 2]" 1
200 1 24 LYS QE 1 24 LYS HG3 . . 3.690 2.808 2.090 3.487 . 0 0 "[ . 1 . 2]" 1
201 1 24 LYS QG 1 55 TRP HH2 . . 4.460 2.630 2.033 3.333 . 0 0 "[ . 1 . 2]" 1
202 1 24 LYS QG 1 55 TRP HZ2 . . 4.000 2.818 2.216 3.412 . 0 0 "[ . 1 . 2]" 1
203 1 24 LYS HG2 1 55 TRP HZ2 . . 4.580 3.294 2.461 4.186 . 0 0 "[ . 1 . 2]" 1
204 1 24 LYS HG3 1 55 TRP HZ2 . . 4.580 3.215 2.290 3.968 . 0 0 "[ . 1 . 2]" 1
205 1 25 GLY H 1 26 SER H . . 3.770 2.985 2.690 3.295 . 0 0 "[ . 1 . 2]" 1
206 1 25 GLY QA 1 28 CYS QB . . 3.920 3.375 2.779 3.911 . 0 0 "[ . 1 . 2]" 1
207 1 26 SER H 1 26 SER HB2 . . 3.990 2.613 2.187 3.632 . 0 0 "[ . 1 . 2]" 1
208 1 26 SER H 1 26 SER HB3 . . 3.990 3.080 2.352 3.629 . 0 0 "[ . 1 . 2]" 1
209 1 26 SER H 1 27 PHE H . . 3.990 2.796 2.363 3.107 . 0 0 "[ . 1 . 2]" 1
210 1 26 SER HA 1 29 ARG H . . 4.860 3.606 3.150 4.192 . 0 0 "[ . 1 . 2]" 1
211 1 26 SER HA 1 29 ARG QB . . 4.580 2.986 1.991 4.567 . 0 0 "[ . 1 . 2]" 1
212 1 26 SER HA 1 30 ASN H . . 3.880 3.582 3.201 3.880 . 0 0 "[ . 1 . 2]" 1
213 1 26 SER QB 1 27 PHE H . . 3.640 2.540 1.947 3.440 . 0 0 "[ . 1 . 2]" 1
214 1 26 SER QB 1 41 LEU QD . . 3.350 2.560 1.852 3.158 . 0 0 "[ . 1 . 2]" 1
215 1 26 SER QB 1 56 PHE HZ . . 4.100 2.768 1.951 3.705 . 0 0 "[ . 1 . 2]" 1
216 1 26 SER HB2 1 41 LEU MD1 . . 4.430 3.354 2.239 4.052 . 0 0 "[ . 1 . 2]" 1
217 1 26 SER HB2 1 41 LEU MD2 . . 4.430 3.215 2.321 4.430 . 0 0 "[ . 1 . 2]" 1
218 1 26 SER HB2 1 56 PHE HZ . . 4.750 3.538 2.043 4.667 . 0 0 "[ . 1 . 2]" 1
219 1 26 SER HB3 1 41 LEU MD1 . . 4.430 3.315 2.160 4.370 . 0 0 "[ . 1 . 2]" 1
220 1 26 SER HB3 1 41 LEU MD2 . . 4.430 3.548 2.137 4.426 . 0 0 "[ . 1 . 2]" 1
221 1 26 SER HB3 1 56 PHE HZ . . 4.750 3.129 2.001 4.674 . 0 0 "[ . 1 . 2]" 1
222 1 27 PHE H 1 27 PHE HB2 . . 3.780 2.540 2.316 2.949 . 0 0 "[ . 1 . 2]" 1
223 1 27 PHE H 1 27 PHE QB . . 3.280 2.254 2.154 2.296 . 0 0 "[ . 1 . 2]" 1
224 1 27 PHE H 1 27 PHE HB3 . . 3.780 2.579 2.214 2.847 . 0 0 "[ . 1 . 2]" 1
225 1 27 PHE H 1 27 PHE QD . . 4.700 4.160 3.978 4.210 . 0 0 "[ . 1 . 2]" 1
226 1 27 PHE H 1 28 CYS H . . 4.340 2.924 2.560 3.140 . 0 0 "[ . 1 . 2]" 1
227 1 27 PHE H 1 56 PHE HZ . . 4.640 3.883 2.974 4.542 . 0 0 "[ . 1 . 2]" 1
228 1 27 PHE HA 1 27 PHE QD . . 4.280 2.964 2.247 3.217 . 0 0 "[ . 1 . 2]" 1
229 1 27 PHE HA 1 56 PHE QE . . 3.650 2.435 2.004 3.072 . 0 0 "[ . 1 . 2]" 1
230 1 27 PHE QB 1 28 CYS H . . 3.780 2.458 2.067 2.792 . 0 0 "[ . 1 . 2]" 1
231 1 27 PHE QB 1 55 TRP HZ3 . . 3.830 2.399 1.975 2.963 . 0 0 "[ . 1 . 2]" 1
232 1 27 PHE QB 1 56 PHE QE . . 5.170 3.346 2.767 3.917 . 0 0 "[ . 1 . 2]" 1
233 1 27 PHE HB2 1 55 TRP HH2 . . 4.760 3.687 2.845 4.531 . 0 0 "[ . 1 . 2]" 1
234 1 27 PHE HB2 1 55 TRP HZ3 . . 4.370 2.452 2.004 3.074 . 0 0 "[ . 1 . 2]" 1
235 1 27 PHE HB3 1 55 TRP HH2 . . 4.760 3.725 3.089 4.601 . 0 0 "[ . 1 . 2]" 1
236 1 27 PHE HB3 1 55 TRP HZ3 . . 4.370 3.563 2.561 4.371 0.001 19 0 "[ . 1 . 2]" 1
237 1 27 PHE QD 1 28 CYS H . . 4.690 3.139 2.650 3.852 . 0 0 "[ . 1 . 2]" 1
238 1 27 PHE QD 1 28 CYS HA . . 4.780 3.047 2.389 4.237 . 0 0 "[ . 1 . 2]" 1
239 1 27 PHE QD 1 56 PHE HA . . 4.580 3.197 2.377 4.168 . 0 0 "[ . 1 . 2]" 1
240 1 27 PHE QD 1 56 PHE QD . . 4.340 2.555 1.999 3.101 . 0 0 "[ . 1 . 2]" 1
241 1 27 PHE QD 1 56 PHE QE . . 4.470 3.443 2.991 4.398 . 0 0 "[ . 1 . 2]" 1
242 1 27 PHE QE 1 56 PHE HA . . 4.940 3.931 2.700 4.853 . 0 0 "[ . 1 . 2]" 1
243 1 27 PHE QE 1 56 PHE QD . . 5.150 3.716 2.828 4.781 . 0 0 "[ . 1 . 2]" 1
244 1 27 PHE QE 1 59 ARG QB . . 4.850 3.180 2.542 4.295 . 0 0 "[ . 1 . 2]" 1
245 1 27 PHE QE 1 60 ARG H . . 4.080 3.462 2.119 4.046 . 0 0 "[ . 1 . 2]" 1
246 1 27 PHE QE 1 60 ARG HA . . 4.500 3.896 2.941 4.499 . 0 0 "[ . 1 . 2]" 1
247 1 27 PHE QE 1 60 ARG HD2 . . 4.830 3.600 2.101 4.829 . 0 0 "[ . 1 . 2]" 1
248 1 27 PHE QE 1 60 ARG QD . . 4.040 3.176 2.015 4.040 . 0 0 "[ . 1 . 2]" 1
249 1 27 PHE QE 1 60 ARG HD3 . . 4.830 3.852 2.114 4.810 . 0 0 "[ . 1 . 2]" 1
250 1 27 PHE QE 1 60 ARG HG2 . . 4.520 2.646 1.998 4.434 . 0 0 "[ . 1 . 2]" 1
251 1 27 PHE QE 1 60 ARG QG . . 3.950 2.350 1.948 3.812 . 0 0 "[ . 1 . 2]" 1
252 1 27 PHE QE 1 60 ARG HG3 . . 4.520 3.096 2.002 4.516 . 0 0 "[ . 1 . 2]" 1
253 1 27 PHE HZ 1 60 ARG H . . 4.640 4.121 2.822 4.634 . 0 0 "[ . 1 . 2]" 1
254 1 27 PHE HZ 1 60 ARG HA . . 4.010 3.204 2.320 3.900 . 0 0 "[ . 1 . 2]" 1
255 1 28 CYS H 1 28 CYS HB2 . . 4.090 2.647 2.238 3.618 . 0 0 "[ . 1 . 2]" 1
256 1 28 CYS H 1 28 CYS QB . . 3.280 2.290 2.165 2.475 . 0 0 "[ . 1 . 2]" 1
257 1 28 CYS H 1 28 CYS HB3 . . 4.090 2.782 2.446 3.603 . 0 0 "[ . 1 . 2]" 1
258 1 28 CYS H 1 29 ARG H . . 4.010 2.839 2.520 3.150 . 0 0 "[ . 1 . 2]" 1
259 1 28 CYS HB2 1 29 ARG H . . 5.490 3.439 2.280 3.918 . 0 0 "[ . 1 . 2]" 1
260 1 28 CYS HB3 1 29 ARG H . . 5.490 2.733 1.944 3.935 . 0 0 "[ . 1 . 2]" 1
261 1 29 ARG H 1 29 ARG QB . . 3.520 2.303 2.158 2.494 . 0 0 "[ . 1 . 2]" 1
262 1 29 ARG H 1 29 ARG QG . . 4.070 3.151 2.062 4.071 0.001 5 0 "[ . 1 . 2]" 1
263 1 29 ARG H 1 30 ASN H . . 3.320 2.903 2.447 3.228 . 0 0 "[ . 1 . 2]" 1
264 1 29 ARG HA 1 29 ARG HG2 . . 4.010 3.022 2.234 3.851 . 0 0 "[ . 1 . 2]" 1
265 1 29 ARG HA 1 29 ARG QG . . 3.380 2.553 2.147 3.343 . 0 0 "[ . 1 . 2]" 1
266 1 29 ARG HA 1 29 ARG HG3 . . 4.010 3.007 2.167 3.863 . 0 0 "[ . 1 . 2]" 1
267 1 29 ARG QB 1 29 ARG QD . . 3.280 2.246 2.041 2.644 . 0 0 "[ . 1 . 2]" 1
268 1 29 ARG QB 1 30 ASN H . . 3.290 2.279 1.891 3.247 . 0 0 "[ . 1 . 2]" 1
269 1 29 ARG HB2 1 30 ASN H . . 3.870 2.940 1.985 3.777 . 0 0 "[ . 1 . 2]" 1
270 1 29 ARG HB3 1 30 ASN H . . 3.870 2.685 1.900 3.815 . 0 0 "[ . 1 . 2]" 1
271 1 30 ASN H 1 30 ASN HB2 . . 4.090 3.055 2.184 3.857 . 0 0 "[ . 1 . 2]" 1
272 1 30 ASN H 1 30 ASN QB . . 3.580 2.541 2.133 3.163 . 0 0 "[ . 1 . 2]" 1
273 1 30 ASN H 1 30 ASN HB3 . . 4.090 2.794 2.344 3.402 . 0 0 "[ . 1 . 2]" 1
274 1 30 ASN H 1 30 ASN QD . . 5.340 4.400 3.123 4.839 . 0 0 "[ . 1 . 2]" 1
275 1 30 ASN HA 1 31 GLN H . . 3.190 2.187 2.139 2.365 . 0 0 "[ . 1 . 2]" 1
276 1 30 ASN HA 1 32 PHE H . . 4.520 4.214 3.526 4.519 . 0 0 "[ . 1 . 2]" 1
277 1 30 ASN QD 1 32 PHE H . . 4.670 3.870 2.361 4.666 . 0 0 "[ . 1 . 2]" 1
278 1 30 ASN QD 1 34 GLY H . . 5.010 3.709 2.559 4.986 . 0 0 "[ . 1 . 2]" 1
279 1 30 ASN HD21 1 32 PHE H . . 5.500 4.603 2.384 5.347 . 0 0 "[ . 1 . 2]" 1
280 1 30 ASN HD21 1 33 PRO HA . . 4.350 3.071 2.125 4.257 . 0 0 "[ . 1 . 2]" 1
281 1 30 ASN HD22 1 32 PHE H . . 5.500 4.319 3.640 5.203 . 0 0 "[ . 1 . 2]" 1
282 1 30 ASN HD22 1 33 PRO HA . . 4.350 2.997 2.005 4.345 . 0 0 "[ . 1 . 2]" 1
283 1 31 GLN H 1 31 GLN QB . . 3.530 2.351 2.197 2.528 . 0 0 "[ . 1 . 2]" 1
284 1 31 GLN H 1 31 GLN HG2 . . 4.560 3.446 2.294 4.337 . 0 0 "[ . 1 . 2]" 1
285 1 31 GLN H 1 31 GLN QG . . 3.690 2.667 2.264 3.452 . 0 0 "[ . 1 . 2]" 1
286 1 31 GLN H 1 31 GLN HG3 . . 4.560 3.068 2.284 3.978 . 0 0 "[ . 1 . 2]" 1
287 1 31 GLN H 1 32 PHE H . . 3.510 2.777 2.147 3.212 . 0 0 "[ . 1 . 2]" 1
288 1 31 GLN H 1 32 PHE QD . . 4.840 4.248 3.415 4.824 . 0 0 "[ . 1 . 2]" 1
289 1 31 GLN HA 1 32 PHE QD . . 4.440 4.210 3.951 4.441 0.001 11 0 "[ . 1 . 2]" 1
290 1 31 GLN QB 1 32 PHE H . . 3.940 2.446 2.170 2.831 . 0 0 "[ . 1 . 2]" 1
291 1 31 GLN QB 1 32 PHE QE . . 3.990 2.860 2.051 3.325 . 0 0 "[ . 1 . 2]" 1
292 1 31 GLN HB2 1 32 PHE QD . . 4.750 2.417 2.087 3.296 . 0 0 "[ . 1 . 2]" 1
293 1 31 GLN HB2 1 32 PHE QE . . 4.590 3.254 2.865 4.188 . 0 0 "[ . 1 . 2]" 1
294 1 31 GLN HB3 1 32 PHE QD . . 4.750 2.352 2.005 3.219 . 0 0 "[ . 1 . 2]" 1
295 1 31 GLN HB3 1 32 PHE QE . . 4.590 3.367 2.070 4.258 . 0 0 "[ . 1 . 2]" 1
296 1 32 PHE H 1 32 PHE HB2 . . 3.930 3.317 2.394 3.910 . 0 0 "[ . 1 . 2]" 1
297 1 32 PHE H 1 32 PHE QB . . 3.240 2.905 2.363 3.205 . 0 0 "[ . 1 . 2]" 1
298 1 32 PHE H 1 32 PHE HB3 . . 3.930 3.508 3.276 3.881 . 0 0 "[ . 1 . 2]" 1
299 1 32 PHE H 1 32 PHE QD . . 3.600 2.513 2.101 3.137 . 0 0 "[ . 1 . 2]" 1
300 1 32 PHE H 1 33 PRO HA . . 5.340 4.974 4.743 5.334 . 0 0 "[ . 1 . 2]" 1
301 1 32 PHE H 1 33 PRO QD . . 4.820 4.073 3.400 4.354 . 0 0 "[ . 1 . 2]" 1
302 1 32 PHE QB 1 33 PRO HA . . 4.960 4.707 4.586 4.824 . 0 0 "[ . 1 . 2]" 1
303 1 33 PRO HA 1 34 GLY H . . 2.860 2.335 2.155 2.600 . 0 0 "[ . 1 . 2]" 1
304 1 33 PRO HA 1 38 VAL MG2 . . 5.010 4.265 3.826 4.903 . 0 0 "[ . 1 . 2]" 1
305 1 33 PRO QB 1 34 GLY H . . 3.670 2.836 2.133 3.669 . 0 0 "[ . 1 . 2]" 1
306 1 33 PRO QB 1 37 GLU QB . . 3.440 2.293 1.763 2.812 . 0 0 "[ . 1 . 2]" 1
307 1 33 PRO QB 1 37 GLU QG . . 3.930 2.925 2.193 3.861 . 0 0 "[ . 1 . 2]" 1
308 1 33 PRO QB 1 38 VAL H . . 3.950 3.052 2.885 3.308 . 0 0 "[ . 1 . 2]" 1
309 1 33 PRO QB 1 38 VAL MG2 . . 3.160 2.023 1.775 2.555 . 0 0 "[ . 1 . 2]" 1
310 1 33 PRO HB2 1 34 GLY H . . 4.380 2.974 2.163 3.970 . 0 0 "[ . 1 . 2]" 1
311 1 33 PRO HB2 1 38 VAL MG2 . . 3.740 2.042 1.793 2.602 . 0 0 "[ . 1 . 2]" 1
312 1 33 PRO HB3 1 34 GLY H . . 4.380 3.685 3.247 4.316 . 0 0 "[ . 1 . 2]" 1
313 1 33 PRO HB3 1 38 VAL MG2 . . 3.740 3.309 2.813 3.740 0.000 3 0 "[ . 1 . 2]" 1
314 1 33 PRO QD 1 56 PHE QD . . 4.110 2.786 1.999 4.099 . 0 0 "[ . 1 . 2]" 1
315 1 33 PRO QD 1 56 PHE QE . . 4.060 2.526 2.081 3.558 . 0 0 "[ . 1 . 2]" 1
316 1 33 PRO HD2 1 56 PHE QD . . 4.770 3.673 3.157 4.756 . 0 0 "[ . 1 . 2]" 1
317 1 33 PRO HD2 1 56 PHE QE . . 4.840 4.055 3.596 4.598 . 0 0 "[ . 1 . 2]" 1
318 1 33 PRO HD3 1 56 PHE QD . . 4.770 2.911 2.017 4.476 . 0 0 "[ . 1 . 2]" 1
319 1 33 PRO HD3 1 56 PHE QE . . 4.840 2.557 2.091 3.704 . 0 0 "[ . 1 . 2]" 1
320 1 33 PRO QG 1 38 VAL H . . 4.830 4.694 4.266 4.830 0.000 19 0 "[ . 1 . 2]" 1
321 1 33 PRO QG 1 38 VAL MG2 . . 3.160 2.750 2.470 3.017 . 0 0 "[ . 1 . 2]" 1
322 1 34 GLY H 1 37 GLU H . . 4.600 3.479 2.929 3.912 . 0 0 "[ . 1 . 2]" 1
323 1 34 GLY H 1 37 GLU HA . . 5.320 4.906 4.258 5.315 . 0 0 "[ . 1 . 2]" 1
324 1 34 GLY H 1 37 GLU HB2 . . 4.000 2.369 1.904 3.242 . 0 0 "[ . 1 . 2]" 1
325 1 34 GLY H 1 37 GLU QB . . 3.490 2.168 1.703 2.683 . 0 0 "[ . 1 . 2]" 1
326 1 34 GLY H 1 37 GLU HB3 . . 4.000 2.956 1.902 4.000 0.000 11 0 "[ . 1 . 2]" 1
327 1 34 GLY H 1 37 GLU QG . . 4.790 3.320 2.534 4.684 . 0 0 "[ . 1 . 2]" 1
328 1 34 GLY H 1 38 VAL H . . 4.820 3.685 2.646 4.675 . 0 0 "[ . 1 . 2]" 1
329 1 34 GLY H 1 38 VAL MG2 . . 4.750 3.720 2.663 4.650 . 0 0 "[ . 1 . 2]" 1
330 1 35 GLN HA 1 35 GLN QG . . 3.810 2.431 2.152 3.436 . 0 0 "[ . 1 . 2]" 1
331 1 35 GLN HA 1 38 VAL H . . 4.410 4.156 3.822 4.409 . 0 0 "[ . 1 . 2]" 1
332 1 35 GLN HA 1 38 VAL HB . . 3.680 3.519 3.166 3.681 0.001 6 0 "[ . 1 . 2]" 1
333 1 35 GLN HA 1 38 VAL MG1 . . 5.070 4.728 4.366 4.898 . 0 0 "[ . 1 . 2]" 1
334 1 35 GLN HA 1 38 VAL MG2 . . 4.130 3.578 3.380 3.909 . 0 0 "[ . 1 . 2]" 1
335 1 35 GLN HA 1 39 GLU H . . 4.510 4.248 3.891 4.510 . 0 0 "[ . 1 . 2]" 1
336 1 35 GLN QG 1 38 VAL MG2 . . 5.500 4.954 4.608 5.475 . 0 0 "[ . 1 . 2]" 1
337 1 36 SER HA 1 39 GLU H . . 4.170 3.774 3.501 3.999 . 0 0 "[ . 1 . 2]" 1
338 1 36 SER HA 1 39 GLU HB2 . . 4.370 2.647 2.236 2.888 . 0 0 "[ . 1 . 2]" 1
339 1 36 SER HA 1 39 GLU QB . . 3.730 2.619 2.217 2.850 . 0 0 "[ . 1 . 2]" 1
340 1 36 SER HA 1 39 GLU HB3 . . 4.370 4.179 3.651 4.370 . 0 0 "[ . 1 . 2]" 1
341 1 36 SER HA 1 39 GLU QG . . 4.880 3.420 2.987 4.082 . 0 0 "[ . 1 . 2]" 1
342 1 36 SER QB 1 37 GLU H . . 4.190 2.563 2.207 3.354 . 0 0 "[ . 1 . 2]" 1
343 1 37 GLU H 1 37 GLU HB2 . . 3.920 2.251 2.168 2.431 . 0 0 "[ . 1 . 2]" 1
344 1 37 GLU H 1 37 GLU QB . . 3.290 2.203 2.119 2.394 . 0 0 "[ . 1 . 2]" 1
345 1 37 GLU H 1 37 GLU HB3 . . 3.920 3.211 2.707 3.591 . 0 0 "[ . 1 . 2]" 1
346 1 37 GLU H 1 37 GLU QG . . 4.830 3.634 2.529 4.059 . 0 0 "[ . 1 . 2]" 1
347 1 37 GLU H 1 38 VAL H . . 3.570 3.035 2.891 3.165 . 0 0 "[ . 1 . 2]" 1
348 1 37 GLU H 1 38 VAL MG2 . . 5.220 4.485 4.292 4.702 . 0 0 "[ . 1 . 2]" 1
349 1 37 GLU H 1 39 GLU H . . 4.780 4.529 4.253 4.765 . 0 0 "[ . 1 . 2]" 1
350 1 37 GLU HA 1 37 GLU QG . . 3.660 2.543 2.163 2.876 . 0 0 "[ . 1 . 2]" 1
351 1 37 GLU HA 1 40 HIS H . . 3.910 3.730 3.542 3.912 0.002 3 0 "[ . 1 . 2]" 1
352 1 37 GLU HA 1 40 HIS HB2 . . 4.310 4.032 3.778 4.311 0.001 20 0 "[ . 1 . 2]" 1
353 1 37 GLU HA 1 40 HIS QB . . 3.580 2.889 2.570 3.138 . 0 0 "[ . 1 . 2]" 1
354 1 37 GLU HA 1 40 HIS HB3 . . 4.310 2.963 2.615 3.245 . 0 0 "[ . 1 . 2]" 1
355 1 37 GLU HA 1 40 HIS HD2 . . 4.600 4.173 3.783 4.580 . 0 0 "[ . 1 . 2]" 1
356 1 37 GLU HA 1 41 LEU H . . 4.900 4.206 3.952 4.446 . 0 0 "[ . 1 . 2]" 1
357 1 37 GLU QB 1 38 VAL H . . 2.880 2.209 1.893 2.416 . 0 0 "[ . 1 . 2]" 1
358 1 37 GLU QB 1 41 LEU QD . . 4.250 3.209 2.488 3.967 . 0 0 "[ . 1 . 2]" 1
359 1 37 GLU HB2 1 38 VAL H . . 3.430 2.957 2.367 3.429 . 0 0 "[ . 1 . 2]" 1
360 1 37 GLU HB3 1 38 VAL H . . 3.430 2.504 1.903 3.211 . 0 0 "[ . 1 . 2]" 1
361 1 37 GLU QG 1 38 VAL H . . 4.650 3.964 3.198 4.344 . 0 0 "[ . 1 . 2]" 1
362 1 37 GLU QG 1 41 LEU QD . . 3.980 3.138 1.956 3.980 . 3 0 "[ . 1 . 2]" 1
363 1 38 VAL H 1 38 VAL HB . . 3.230 2.595 2.478 2.708 . 0 0 "[ . 1 . 2]" 1
364 1 38 VAL H 1 38 VAL MG1 . . 3.980 3.766 3.755 3.783 . 0 0 "[ . 1 . 2]" 1
365 1 38 VAL H 1 38 VAL MG2 . . 2.900 2.062 1.876 2.289 . 0 0 "[ . 1 . 2]" 1
366 1 38 VAL H 1 39 GLU H . . 3.240 2.969 2.729 3.141 . 0 0 "[ . 1 . 2]" 1
367 1 38 VAL HA 1 38 VAL MG1 . . 3.270 2.405 2.318 2.480 . 0 0 "[ . 1 . 2]" 1
368 1 38 VAL HA 1 38 VAL MG2 . . 3.210 2.372 2.223 2.462 . 0 0 "[ . 1 . 2]" 1
369 1 38 VAL HA 1 41 LEU QB . . 3.740 2.615 2.371 2.804 . 0 0 "[ . 1 . 2]" 1
370 1 38 VAL HA 1 41 LEU QD . . 3.940 2.615 2.059 3.235 . 0 0 "[ . 1 . 2]" 1
371 1 38 VAL HA 1 42 THR H . . 4.730 3.623 3.252 3.859 . 0 0 "[ . 1 . 2]" 1
372 1 38 VAL HA 1 52 VAL MG1 . . 3.610 2.960 2.647 3.280 . 0 0 "[ . 1 . 2]" 1
373 1 38 VAL HB 1 39 GLU H . . 2.910 2.269 2.099 2.545 . 0 0 "[ . 1 . 2]" 1
374 1 38 VAL HB 1 39 GLU QG . . 4.500 3.577 3.200 3.791 . 0 0 "[ . 1 . 2]" 1
375 1 38 VAL HB 1 49 THR MG . . 4.400 3.635 3.405 3.860 . 0 0 "[ . 1 . 2]" 1
376 1 38 VAL MG1 1 39 GLU H . . 3.950 3.121 2.793 3.450 . 0 0 "[ . 1 . 2]" 1
377 1 38 VAL MG1 1 39 GLU HA . . 3.920 3.298 3.036 3.544 . 0 0 "[ . 1 . 2]" 1
378 1 38 VAL MG1 1 41 LEU QB . . 4.600 3.631 3.386 3.912 . 0 0 "[ . 1 . 2]" 1
379 1 38 VAL MG1 1 42 THR H . . 4.960 3.453 3.101 3.880 . 0 0 "[ . 1 . 2]" 1
380 1 38 VAL MG1 1 42 THR MG . . 3.320 2.124 1.886 3.072 . 0 0 "[ . 1 . 2]" 1
381 1 38 VAL MG1 1 49 THR HA . . 3.510 2.859 2.622 3.042 . 0 0 "[ . 1 . 2]" 1
382 1 38 VAL MG1 1 49 THR HB . . 4.220 4.160 4.085 4.221 0.001 20 0 "[ . 1 . 2]" 1
383 1 38 VAL MG1 1 49 THR MG . . 2.840 1.816 1.741 1.992 . 0 0 "[ . 1 . 2]" 1
384 1 38 VAL MG1 1 52 VAL HA . . 5.500 5.354 4.866 5.501 0.001 6 0 "[ . 1 . 2]" 1
385 1 38 VAL MG1 1 52 VAL HB . . 3.320 2.835 2.505 2.991 . 0 0 "[ . 1 . 2]" 1
386 1 38 VAL MG1 1 52 VAL MG1 . . 3.040 2.734 2.396 3.019 . 0 0 "[ . 1 . 2]" 1
387 1 38 VAL MG1 1 53 ARG H . . 4.170 3.960 3.469 4.166 . 0 0 "[ . 1 . 2]" 1
388 1 38 VAL MG1 1 53 ARG QB . . 4.470 4.315 3.732 4.468 . 0 0 "[ . 1 . 2]" 1
389 1 38 VAL MG1 1 53 ARG QD . . 4.300 3.286 2.584 3.964 . 0 0 "[ . 1 . 2]" 1
390 1 38 VAL MG1 1 53 ARG QG . . 3.810 2.674 2.099 2.964 . 0 0 "[ . 1 . 2]" 1
391 1 38 VAL MG2 1 39 GLU H . . 4.090 3.719 3.635 3.859 . 0 0 "[ . 1 . 2]" 1
392 1 38 VAL MG2 1 39 GLU QG . . 5.340 4.836 4.561 5.041 . 0 0 "[ . 1 . 2]" 1
393 1 38 VAL MG2 1 40 HIS H . . 5.350 5.216 5.040 5.351 0.001 4 0 "[ . 1 . 2]" 1
394 1 38 VAL MG2 1 49 THR MG . . 4.170 3.475 3.227 3.828 . 0 0 "[ . 1 . 2]" 1
395 1 38 VAL MG2 1 52 VAL MG1 . . 3.530 3.252 2.996 3.429 . 0 0 "[ . 1 . 2]" 1
396 1 38 VAL MG2 1 53 ARG H . . 4.780 4.541 3.969 4.762 . 0 0 "[ . 1 . 2]" 1
397 1 38 VAL MG2 1 53 ARG HA . . 5.240 4.030 3.591 4.317 . 0 0 "[ . 1 . 2]" 1
398 1 38 VAL MG2 1 53 ARG QD . . 4.470 2.944 1.755 4.008 . 0 0 "[ . 1 . 2]" 1
399 1 38 VAL MG2 1 53 ARG HG2 . . 4.580 2.695 2.057 3.063 . 0 0 "[ . 1 . 2]" 1
400 1 38 VAL MG2 1 53 ARG QG . . 3.830 2.342 1.861 2.651 . 0 0 "[ . 1 . 2]" 1
401 1 38 VAL MG2 1 53 ARG HG3 . . 4.580 2.657 2.069 3.548 . 0 0 "[ . 1 . 2]" 1
402 1 39 GLU H 1 39 GLU HB2 . . 3.730 2.414 2.226 2.601 . 0 0 "[ . 1 . 2]" 1
403 1 39 GLU H 1 39 GLU QB . . 3.200 2.377 2.203 2.543 . 0 0 "[ . 1 . 2]" 1
404 1 39 GLU H 1 39 GLU HB3 . . 3.730 3.583 3.518 3.603 . 0 0 "[ . 1 . 2]" 1
405 1 39 GLU H 1 39 GLU HG2 . . 4.220 2.946 2.036 3.845 . 0 0 "[ . 1 . 2]" 1
406 1 39 GLU H 1 39 GLU QG . . 3.440 2.420 2.016 2.731 . 0 0 "[ . 1 . 2]" 1
407 1 39 GLU H 1 39 GLU HG3 . . 4.220 2.978 2.259 3.716 . 0 0 "[ . 1 . 2]" 1
408 1 39 GLU H 1 40 HIS H . . 3.190 2.877 2.711 3.016 . 0 0 "[ . 1 . 2]" 1
409 1 39 GLU H 1 42 THR MG . . 5.010 4.236 3.799 4.587 . 0 0 "[ . 1 . 2]" 1
410 1 39 GLU H 1 49 THR MG . . 5.500 4.716 4.342 5.120 . 0 0 "[ . 1 . 2]" 1
411 1 39 GLU HA 1 39 GLU QG . . 3.690 2.404 2.193 2.713 . 0 0 "[ . 1 . 2]" 1
412 1 39 GLU HA 1 42 THR H . . 4.670 4.066 3.906 4.320 . 0 0 "[ . 1 . 2]" 1
413 1 39 GLU HA 1 42 THR HB . . 4.490 4.455 4.349 4.491 0.001 17 0 "[ . 1 . 2]" 1
414 1 39 GLU HA 1 42 THR MG . . 3.700 2.975 2.090 3.375 . 0 0 "[ . 1 . 2]" 1
415 1 39 GLU QB 1 40 HIS H . . 3.340 2.682 2.550 2.868 . 0 0 "[ . 1 . 2]" 1
416 1 39 GLU QG 1 40 HIS H . . 4.890 4.253 4.044 4.418 . 0 0 "[ . 1 . 2]" 1
417 1 39 GLU QG 1 49 THR MG . . 4.700 4.259 3.567 4.607 . 0 0 "[ . 1 . 2]" 1
418 1 40 HIS H 1 40 HIS HB2 . . 3.030 2.787 2.696 2.980 . 0 0 "[ . 1 . 2]" 1
419 1 40 HIS H 1 40 HIS HB3 . . 3.030 2.338 2.258 2.408 . 0 0 "[ . 1 . 2]" 1
420 1 40 HIS H 1 40 HIS HD2 . . 5.070 5.010 4.879 5.069 . 0 0 "[ . 1 . 2]" 1
421 1 40 HIS H 1 41 LEU H . . 3.390 2.681 2.508 2.806 . 0 0 "[ . 1 . 2]" 1
422 1 40 HIS H 1 42 THR H . . 4.810 4.216 3.665 4.686 . 0 0 "[ . 1 . 2]" 1
423 1 40 HIS HA 1 43 LYS H . . 4.020 3.778 3.535 3.981 . 0 0 "[ . 1 . 2]" 1
424 1 40 HIS HA 1 43 LYS HB2 . . 3.930 3.356 2.630 3.716 . 0 0 "[ . 1 . 2]" 1
425 1 40 HIS HA 1 43 LYS HB3 . . 5.090 4.926 4.041 5.091 0.001 4 0 "[ . 1 . 2]" 1
426 1 40 HIS HA 1 43 LYS QD . . 4.710 3.633 2.696 4.710 0.000 6 0 "[ . 1 . 2]" 1
427 1 40 HIS HA 1 43 LYS QG . . 4.730 3.666 2.667 4.151 . 0 0 "[ . 1 . 2]" 1
428 1 40 HIS HA 1 44 VAL H . . 4.870 4.530 4.255 4.800 . 0 0 "[ . 1 . 2]" 1
429 1 40 HIS HA 1 44 VAL MG2 . . 4.730 3.895 3.531 4.376 . 0 0 "[ . 1 . 2]" 1
430 1 40 HIS QB 1 41 LEU H . . 3.280 2.387 2.160 2.581 . 0 0 "[ . 1 . 2]" 1
431 1 40 HIS HB2 1 41 LEU H . . 3.980 3.831 3.671 3.962 . 0 0 "[ . 1 . 2]" 1
432 1 40 HIS HB3 1 41 LEU H . . 3.980 2.412 2.175 2.615 . 0 0 "[ . 1 . 2]" 1
433 1 40 HIS HD2 1 41 LEU H . . 5.080 3.887 3.488 4.311 . 0 0 "[ . 1 . 2]" 1
434 1 40 HIS HD2 1 41 LEU QD . . 4.110 3.545 2.956 4.095 . 0 0 "[ . 1 . 2]" 1
435 1 40 HIS HD2 1 41 LEU HG . . 4.870 3.509 3.063 4.003 . 0 0 "[ . 1 . 2]" 1
436 1 40 HIS HD2 1 44 VAL MG2 . . 4.660 3.571 2.943 4.385 . 0 0 "[ . 1 . 2]" 1
437 1 40 HIS HE1 1 44 VAL MG1 . . 4.220 4.010 3.698 4.222 0.002 20 0 "[ . 1 . 2]" 1
438 1 40 HIS HE1 1 44 VAL MG2 . . 4.560 2.404 1.962 2.650 . 0 0 "[ . 1 . 2]" 1
439 1 41 LEU H 1 41 LEU HB2 . . 3.990 2.422 2.228 2.584 . 0 0 "[ . 1 . 2]" 1
440 1 41 LEU H 1 41 LEU QB . . 3.210 2.384 2.205 2.528 . 0 0 "[ . 1 . 2]" 1
441 1 41 LEU H 1 41 LEU HB3 . . 3.990 3.570 3.520 3.594 . 0 0 "[ . 1 . 2]" 1
442 1 41 LEU H 1 41 LEU MD1 . . 4.210 3.407 3.121 3.695 . 0 0 "[ . 1 . 2]" 1
443 1 41 LEU H 1 41 LEU QD . . 3.700 3.125 2.957 3.348 . 0 0 "[ . 1 . 2]" 1
444 1 41 LEU H 1 41 LEU MD2 . . 4.210 3.660 3.374 4.023 . 0 0 "[ . 1 . 2]" 1
445 1 41 LEU H 1 41 LEU HG . . 3.200 2.387 2.063 2.822 . 0 0 "[ . 1 . 2]" 1
446 1 41 LEU H 1 42 THR H . . 3.670 2.897 2.733 3.012 . 0 0 "[ . 1 . 2]" 1
447 1 41 LEU H 1 43 LYS H . . 4.830 4.122 3.860 4.239 . 0 0 "[ . 1 . 2]" 1
448 1 41 LEU HA 1 41 LEU QD . . 2.910 2.250 1.993 2.517 . 0 0 "[ . 1 . 2]" 1
449 1 41 LEU HA 1 41 LEU HG . . 4.180 2.837 2.605 3.010 . 0 0 "[ . 1 . 2]" 1
450 1 41 LEU HA 1 43 LYS H . . 4.500 3.812 3.598 3.951 . 0 0 "[ . 1 . 2]" 1
451 1 41 LEU HA 1 43 LYS HB2 . . 5.460 4.981 4.796 5.186 . 0 0 "[ . 1 . 2]" 1
452 1 41 LEU HA 1 44 VAL H . . 3.590 3.003 2.795 3.263 . 0 0 "[ . 1 . 2]" 1
453 1 41 LEU HA 1 44 VAL HB . . 3.440 2.561 2.155 3.269 . 0 0 "[ . 1 . 2]" 1
454 1 41 LEU HA 1 44 VAL MG2 . . 2.940 2.167 1.975 2.664 . 0 0 "[ . 1 . 2]" 1
455 1 41 LEU HA 1 45 THR H . . 4.120 3.713 3.348 4.122 0.002 20 0 "[ . 1 . 2]" 1
456 1 41 LEU QB 1 42 THR H . . 3.740 2.346 1.970 2.807 . 0 0 "[ . 1 . 2]" 1
457 1 41 LEU QB 1 52 VAL MG2 . . 3.880 2.967 2.573 3.788 . 0 0 "[ . 1 . 2]" 1
458 1 41 LEU HB2 1 42 THR H . . 4.460 2.410 1.992 2.928 . 0 0 "[ . 1 . 2]" 1
459 1 41 LEU HB3 1 42 THR H . . 4.460 3.278 2.863 3.657 . 0 0 "[ . 1 . 2]" 1
460 1 41 LEU QD 1 44 VAL HB . . 4.150 3.181 2.450 4.059 . 0 0 "[ . 1 . 2]" 1
461 1 41 LEU QD 1 45 THR MG . . 3.620 2.933 2.322 3.208 . 0 0 "[ . 1 . 2]" 1
462 1 41 LEU QD 1 56 PHE QE . . 3.580 2.329 1.964 3.105 . 0 0 "[ . 1 . 2]" 1
463 1 41 LEU QD 1 56 PHE HZ . . 3.670 2.446 1.955 2.854 . 0 0 "[ . 1 . 2]" 1
464 1 41 LEU MD1 1 56 PHE HZ . . 4.540 2.476 1.965 2.897 . 0 0 "[ . 1 . 2]" 1
465 1 41 LEU MD2 1 56 PHE HZ . . 4.540 3.920 3.477 4.338 . 0 0 "[ . 1 . 2]" 1
466 1 41 LEU HG 1 42 THR H . . 4.950 4.442 4.183 4.748 . 0 0 "[ . 1 . 2]" 1
467 1 42 THR H 1 42 THR HB . . 3.700 3.474 2.466 3.648 . 0 0 "[ . 1 . 2]" 1
468 1 42 THR H 1 42 THR HG1 . . 4.590 3.050 1.929 4.358 . 0 0 "[ . 1 . 2]" 1
469 1 42 THR H 1 42 THR MG . . 3.540 2.304 2.063 2.608 . 0 0 "[ . 1 . 2]" 1
470 1 42 THR H 1 43 LYS H . . 3.470 2.866 2.622 2.985 . 0 0 "[ . 1 . 2]" 1
471 1 42 THR H 1 52 VAL MG1 . . 4.800 3.523 2.909 3.994 . 0 0 "[ . 1 . 2]" 1
472 1 42 THR H 1 52 VAL MG2 . . 5.110 3.251 2.252 3.886 . 0 0 "[ . 1 . 2]" 1
473 1 42 THR HA 1 42 THR MG . . 3.270 2.416 2.181 3.193 . 0 0 "[ . 1 . 2]" 1
474 1 42 THR HA 1 45 THR H . . 4.550 4.021 3.546 4.195 . 0 0 "[ . 1 . 2]" 1
475 1 42 THR HA 1 47 LEU H . . 4.490 3.596 2.890 4.282 . 0 0 "[ . 1 . 2]" 1
476 1 42 THR HA 1 47 LEU HB2 . . 4.780 4.077 3.256 4.412 . 0 0 "[ . 1 . 2]" 1
477 1 42 THR HA 1 52 VAL MG2 . . 3.870 2.251 1.962 2.522 . 0 0 "[ . 1 . 2]" 1
478 1 42 THR HB 1 43 LYS H . . 4.290 3.802 3.607 4.195 . 0 0 "[ . 1 . 2]" 1
479 1 42 THR HB 1 52 VAL MG2 . . 4.670 3.625 1.856 4.283 . 0 0 "[ . 1 . 2]" 1
480 1 42 THR HG1 1 43 LYS H . . 4.390 2.824 2.022 4.053 . 0 0 "[ . 1 . 2]" 1
481 1 42 THR MG 1 43 LYS H . . 4.410 3.795 1.996 4.265 . 0 0 "[ . 1 . 2]" 1
482 1 42 THR MG 1 43 LYS QG . . 4.640 4.299 2.163 4.641 0.001 3 0 "[ . 1 . 2]" 1
483 1 42 THR MG 1 48 SER HA . . 4.470 4.042 3.616 4.470 0.000 19 0 "[ . 1 . 2]" 1
484 1 42 THR MG 1 49 THR H . . 4.100 3.198 2.818 3.889 . 0 0 "[ . 1 . 2]" 1
485 1 42 THR MG 1 49 THR HA . . 3.480 2.168 1.884 3.332 . 0 0 "[ . 1 . 2]" 1
486 1 42 THR MG 1 52 VAL HB . . 4.440 3.273 2.826 4.440 . 0 0 "[ . 1 . 2]" 1
487 1 42 THR MG 1 52 VAL MG2 . . 3.170 2.287 1.858 3.179 0.009 20 0 "[ . 1 . 2]" 1
488 1 43 LYS H 1 43 LYS HB2 . . 3.010 2.448 2.176 2.632 . 0 0 "[ . 1 . 2]" 1
489 1 43 LYS H 1 43 LYS HB3 . . 3.700 3.617 3.481 3.680 . 0 0 "[ . 1 . 2]" 1
490 1 43 LYS H 1 43 LYS QD . . 4.600 3.948 3.355 4.555 . 0 0 "[ . 1 . 2]" 1
491 1 43 LYS H 1 43 LYS HG2 . . 4.080 3.462 2.096 4.052 . 0 0 "[ . 1 . 2]" 1
492 1 43 LYS H 1 43 LYS QG . . 3.550 2.497 2.082 2.953 . 0 0 "[ . 1 . 2]" 1
493 1 43 LYS H 1 43 LYS HG3 . . 4.080 2.799 2.329 3.627 . 0 0 "[ . 1 . 2]" 1
494 1 43 LYS H 1 44 VAL H . . 3.320 2.336 2.013 2.511 . 0 0 "[ . 1 . 2]" 1
495 1 43 LYS H 1 44 VAL MG2 . . 4.800 3.628 3.419 3.877 . 0 0 "[ . 1 . 2]" 1
496 1 43 LYS H 1 45 THR H . . 4.990 3.961 3.641 4.320 . 0 0 "[ . 1 . 2]" 1
497 1 43 LYS H 1 52 VAL MG2 . . 5.500 4.918 4.341 5.215 . 0 0 "[ . 1 . 2]" 1
498 1 43 LYS HA 1 43 LYS QD . . 4.270 3.699 2.013 4.223 . 0 0 "[ . 1 . 2]" 1
499 1 43 LYS HA 1 43 LYS HG2 . . 4.130 2.633 2.392 3.175 . 0 0 "[ . 1 . 2]" 1
500 1 43 LYS HA 1 43 LYS QG . . 3.620 2.508 2.261 3.034 . 0 0 "[ . 1 . 2]" 1
501 1 43 LYS HA 1 43 LYS HG3 . . 4.130 3.174 2.784 3.869 . 0 0 "[ . 1 . 2]" 1
502 1 43 LYS HB2 1 44 VAL H . . 3.980 2.669 2.453 2.957 . 0 0 "[ . 1 . 2]" 1
503 1 43 LYS HB2 1 44 VAL HA . . 5.500 4.317 4.089 4.764 . 0 0 "[ . 1 . 2]" 1
504 1 43 LYS HB3 1 44 VAL H . . 3.970 3.654 3.234 3.909 . 0 0 "[ . 1 . 2]" 1
505 1 43 LYS HB3 1 44 VAL MG2 . . 4.440 4.046 3.456 4.345 . 0 0 "[ . 1 . 2]" 1
506 1 43 LYS QG 1 44 VAL H . . 5.090 4.069 3.790 4.395 . 0 0 "[ . 1 . 2]" 1
507 1 44 VAL H 1 44 VAL HB . . 3.040 2.685 2.589 2.752 . 0 0 "[ . 1 . 2]" 1
508 1 44 VAL H 1 44 VAL MG1 . . 3.880 3.758 3.744 3.774 . 0 0 "[ . 1 . 2]" 1
509 1 44 VAL H 1 44 VAL MG2 . . 2.950 1.972 1.872 2.189 . 0 0 "[ . 1 . 2]" 1
510 1 44 VAL H 1 45 THR MG . . 4.360 4.082 3.876 4.246 . 0 0 "[ . 1 . 2]" 1
511 1 44 VAL HA 1 44 VAL MG1 . . 3.050 2.279 2.126 2.382 . 0 0 "[ . 1 . 2]" 1
512 1 44 VAL HA 1 44 VAL MG2 . . 3.710 2.481 2.426 2.535 . 0 0 "[ . 1 . 2]" 1
513 1 44 VAL HB 1 45 THR H . . 3.780 2.580 2.239 3.194 . 0 0 "[ . 1 . 2]" 1
514 1 44 VAL HB 1 45 THR MG . . 3.920 2.525 2.470 2.690 . 0 0 "[ . 1 . 2]" 1
515 1 44 VAL MG1 1 45 THR H . . 4.140 3.648 3.385 4.092 . 0 0 "[ . 1 . 2]" 1
516 1 44 VAL MG1 1 45 THR HA . . 4.360 3.857 3.659 4.279 . 0 0 "[ . 1 . 2]" 1
517 1 44 VAL MG1 1 45 THR MG . . 3.530 3.122 2.841 3.534 0.004 20 0 "[ . 1 . 2]" 1
518 1 44 VAL MG2 1 45 THR H . . 4.260 3.680 3.550 3.816 . 0 0 "[ . 1 . 2]" 1
519 1 44 VAL MG2 1 45 THR MG . . 3.940 3.910 3.849 3.943 0.003 20 0 "[ . 1 . 2]" 1
520 1 45 THR H 1 45 THR MG . . 3.300 2.181 1.890 2.761 . 0 0 "[ . 1 . 2]" 1
521 1 45 THR H 1 46 GLY H . . 3.140 2.253 1.806 2.503 . 0 0 "[ . 1 . 2]" 1
522 1 45 THR H 1 47 LEU H . . 4.230 4.119 3.945 4.231 0.001 17 0 "[ . 1 . 2]" 1
523 1 45 THR HA 1 45 THR MG . . 3.160 2.532 2.437 2.599 . 0 0 "[ . 1 . 2]" 1
524 1 45 THR HA 1 47 LEU MD1 . . 5.250 4.584 4.079 4.852 . 0 0 "[ . 1 . 2]" 1
525 1 45 THR HB 1 47 LEU H . . 3.840 3.439 3.019 3.836 . 0 0 "[ . 1 . 2]" 1
526 1 45 THR HB 1 47 LEU HB2 . . 4.410 4.126 3.789 4.394 . 0 0 "[ . 1 . 2]" 1
527 1 45 THR HB 1 47 LEU HB3 . . 5.500 5.326 5.050 5.501 0.001 3 0 "[ . 1 . 2]" 1
528 1 45 THR HB 1 47 LEU MD1 . . 3.750 2.515 1.997 2.867 . 0 0 "[ . 1 . 2]" 1
529 1 45 THR HB 1 47 LEU MD2 . . 4.450 4.141 3.890 4.424 . 0 0 "[ . 1 . 2]" 1
530 1 45 THR HB 1 47 LEU HG . . 3.570 2.784 2.489 3.059 . 0 0 "[ . 1 . 2]" 1
531 1 45 THR HB 1 52 VAL MG2 . . 4.800 4.440 4.074 4.804 0.004 20 0 "[ . 1 . 2]" 1
532 1 45 THR MG 1 46 GLY H . . 4.320 3.701 3.453 3.931 . 0 0 "[ . 1 . 2]" 1
533 1 45 THR MG 1 47 LEU H . . 4.370 4.125 3.985 4.324 . 0 0 "[ . 1 . 2]" 1
534 1 45 THR MG 1 47 LEU MD1 . . 3.910 3.116 2.783 3.379 . 0 0 "[ . 1 . 2]" 1
535 1 46 GLY H 1 47 LEU HG . . 4.940 4.351 4.104 4.741 . 0 0 "[ . 1 . 2]" 1
536 1 47 LEU H 1 47 LEU HB2 . . 3.010 2.544 2.436 2.673 . 0 0 "[ . 1 . 2]" 1
537 1 47 LEU H 1 47 LEU HB3 . . 4.070 3.617 3.577 3.699 . 0 0 "[ . 1 . 2]" 1
538 1 47 LEU H 1 47 LEU MD1 . . 3.880 3.465 3.150 3.749 . 0 0 "[ . 1 . 2]" 1
539 1 47 LEU H 1 47 LEU MD2 . . 4.010 3.565 3.088 3.957 . 0 0 "[ . 1 . 2]" 1
540 1 47 LEU H 1 47 LEU HG . . 3.150 2.317 1.941 2.822 . 0 0 "[ . 1 . 2]" 1
541 1 47 LEU H 1 48 SER H . . 5.060 4.583 4.496 4.642 . 0 0 "[ . 1 . 2]" 1
542 1 47 LEU HA 1 47 LEU MD1 . . 4.560 3.930 3.881 3.960 . 0 0 "[ . 1 . 2]" 1
543 1 47 LEU HA 1 47 LEU MD2 . . 3.120 2.325 2.027 2.524 . 0 0 "[ . 1 . 2]" 1
544 1 47 LEU HA 1 47 LEU HG . . 4.230 3.019 2.917 3.202 . 0 0 "[ . 1 . 2]" 1
545 1 47 LEU HA 1 48 SER H . . 2.990 2.356 2.199 2.626 . 0 0 "[ . 1 . 2]" 1
546 1 47 LEU HA 1 51 GLU QB . . 4.590 3.815 3.411 4.234 . 0 0 "[ . 1 . 2]" 1
547 1 47 LEU HB2 1 47 LEU MD1 . . 3.330 2.172 2.003 2.355 . 0 0 "[ . 1 . 2]" 1
548 1 47 LEU HB2 1 48 SER H . . 4.040 3.655 3.141 3.934 . 0 0 "[ . 1 . 2]" 1
549 1 47 LEU HB2 1 51 GLU HB2 . . 4.570 3.506 3.166 4.040 . 0 0 "[ . 1 . 2]" 1
550 1 47 LEU HB2 1 51 GLU HB3 . . 4.570 3.529 3.339 4.314 . 0 0 "[ . 1 . 2]" 1
551 1 47 LEU HB2 1 52 VAL H . . 4.430 3.927 3.590 4.274 . 0 0 "[ . 1 . 2]" 1
552 1 47 LEU HB2 1 52 VAL MG1 . . 5.070 4.464 4.233 4.809 . 0 0 "[ . 1 . 2]" 1
553 1 47 LEU HB2 1 52 VAL MG2 . . 3.330 2.135 1.978 2.276 . 0 0 "[ . 1 . 2]" 1
554 1 47 LEU HB3 1 47 LEU MD1 . . 3.510 2.502 2.348 2.633 . 0 0 "[ . 1 . 2]" 1
555 1 47 LEU HB3 1 47 LEU MD2 . . 3.090 2.194 2.066 2.360 . 0 0 "[ . 1 . 2]" 1
556 1 47 LEU HB3 1 48 SER H . . 3.500 2.570 2.006 3.019 . 0 0 "[ . 1 . 2]" 1
557 1 47 LEU HB3 1 51 GLU H . . 4.930 4.524 4.179 4.694 . 0 0 "[ . 1 . 2]" 1
558 1 47 LEU HB3 1 51 GLU HB2 . . 3.930 2.390 2.042 2.524 . 0 0 "[ . 1 . 2]" 1
559 1 47 LEU HB3 1 51 GLU HB3 . . 3.930 2.355 2.015 2.893 . 0 0 "[ . 1 . 2]" 1
560 1 47 LEU HB3 1 52 VAL H . . 4.460 4.073 3.678 4.374 . 0 0 "[ . 1 . 2]" 1
561 1 47 LEU HB3 1 52 VAL MG2 . . 3.410 3.204 2.654 3.404 . 0 0 "[ . 1 . 2]" 1
562 1 47 LEU MD1 1 48 SER H . . 5.130 4.658 4.081 5.019 . 0 0 "[ . 1 . 2]" 1
563 1 47 LEU MD1 1 51 GLU QB . . 4.210 2.926 2.535 3.318 . 0 0 "[ . 1 . 2]" 1
564 1 47 LEU MD1 1 52 VAL H . . 5.000 4.428 4.105 4.665 . 0 0 "[ . 1 . 2]" 1
565 1 47 LEU MD1 1 52 VAL HA . . 4.610 3.364 2.892 3.751 . 0 0 "[ . 1 . 2]" 1
566 1 47 LEU MD1 1 52 VAL MG1 . . 4.780 4.231 3.798 4.556 . 0 0 "[ . 1 . 2]" 1
567 1 47 LEU MD1 1 52 VAL MG2 . . 3.480 2.939 2.622 3.181 . 0 0 "[ . 1 . 2]" 1
568 1 47 LEU MD2 1 48 SER H . . 4.030 3.479 3.169 3.810 . 0 0 "[ . 1 . 2]" 1
569 1 47 LEU MD2 1 51 GLU HB2 . . 4.060 3.823 3.465 4.030 . 0 0 "[ . 1 . 2]" 1
570 1 47 LEU MD2 1 51 GLU QB . . 3.470 3.073 2.765 3.409 . 0 0 "[ . 1 . 2]" 1
571 1 47 LEU MD2 1 51 GLU HB3 . . 4.060 3.245 2.890 3.762 . 0 0 "[ . 1 . 2]" 1
572 1 47 LEU MD2 1 51 GLU QG . . 4.740 3.659 2.955 4.331 . 0 0 "[ . 1 . 2]" 1
573 1 47 LEU HG 1 51 GLU HB2 . . 5.500 5.360 5.051 5.499 . 0 0 "[ . 1 . 2]" 1
574 1 47 LEU HG 1 51 GLU QB . . 4.730 4.576 4.363 4.728 . 0 0 "[ . 1 . 2]" 1
575 1 47 LEU HG 1 51 GLU HB3 . . 5.500 4.967 4.753 5.234 . 0 0 "[ . 1 . 2]" 1
576 1 47 LEU HG 1 52 VAL MG2 . . 4.210 4.129 4.030 4.210 . 0 0 "[ . 1 . 2]" 1
577 1 48 SER H 1 48 SER HB2 . . 3.770 2.644 2.256 3.519 . 0 0 "[ . 1 . 2]" 1
578 1 48 SER H 1 48 SER QB . . 3.080 2.510 2.232 2.894 . 0 0 "[ . 1 . 2]" 1
579 1 48 SER H 1 48 SER HB3 . . 3.770 3.508 3.016 3.692 . 0 0 "[ . 1 . 2]" 1
580 1 48 SER H 1 48 SER HG . . 3.670 2.469 1.965 3.485 . 0 0 "[ . 1 . 2]" 1
581 1 48 SER H 1 51 GLU H . . 4.240 3.956 3.442 4.214 . 0 0 "[ . 1 . 2]" 1
582 1 48 SER H 1 51 GLU HB2 . . 3.990 2.515 2.112 2.761 . 0 0 "[ . 1 . 2]" 1
583 1 48 SER H 1 51 GLU QB . . 3.230 2.478 2.097 2.713 . 0 0 "[ . 1 . 2]" 1
584 1 48 SER H 1 51 GLU HB3 . . 3.990 3.769 3.546 3.990 . 0 0 "[ . 1 . 2]" 1
585 1 48 SER QB 1 49 THR H . . 4.200 2.874 2.680 3.021 . 0 0 "[ . 1 . 2]" 1
586 1 48 SER QB 1 50 ARG H . . 3.560 2.687 2.372 3.012 . 0 0 "[ . 1 . 2]" 1
587 1 48 SER QB 1 51 GLU H . . 3.520 2.552 2.329 3.081 . 0 0 "[ . 1 . 2]" 1
588 1 48 SER QB 1 51 GLU QB . . 4.680 2.740 2.315 3.769 . 0 0 "[ . 1 . 2]" 1
589 1 48 SER HB2 1 50 ARG H . . 4.200 3.388 2.388 3.974 . 0 0 "[ . 1 . 2]" 1
590 1 48 SER HB2 1 51 GLU H . . 4.290 2.652 2.396 3.158 . 0 0 "[ . 1 . 2]" 1
591 1 48 SER HB3 1 50 ARG H . . 4.200 3.054 2.618 4.118 . 0 0 "[ . 1 . 2]" 1
592 1 48 SER HB3 1 51 GLU H . . 4.290 3.459 2.791 4.290 . 0 0 "[ . 1 . 2]" 1
593 1 49 THR H 1 49 THR HB . . 3.970 2.803 2.628 3.008 . 0 0 "[ . 1 . 2]" 1
594 1 49 THR H 1 49 THR MG . . 4.480 3.737 3.634 3.780 . 0 0 "[ . 1 . 2]" 1
595 1 49 THR H 1 50 ARG H . . 4.430 2.925 2.847 3.067 . 0 0 "[ . 1 . 2]" 1
596 1 49 THR HA 1 49 THR MG . . 3.450 2.330 2.206 2.459 . 0 0 "[ . 1 . 2]" 1
597 1 49 THR HA 1 52 VAL H . . 4.250 3.649 3.427 3.786 . 0 0 "[ . 1 . 2]" 1
598 1 49 THR HA 1 52 VAL HB . . 3.900 3.090 2.722 3.453 . 0 0 "[ . 1 . 2]" 1
599 1 49 THR HA 1 52 VAL MG2 . . 4.210 2.959 2.519 3.452 . 0 0 "[ . 1 . 2]" 1
600 1 49 THR HB 1 50 ARG H . . 4.600 2.669 2.351 3.003 . 0 0 "[ . 1 . 2]" 1
601 1 49 THR HB 1 50 ARG QB . . 4.450 4.013 3.857 4.434 . 0 0 "[ . 1 . 2]" 1
602 1 49 THR MG 1 50 ARG H . . 4.440 3.706 3.245 4.007 . 0 0 "[ . 1 . 2]" 1
603 1 49 THR MG 1 52 VAL HB . . 4.380 3.872 3.641 4.119 . 0 0 "[ . 1 . 2]" 1
604 1 49 THR MG 1 53 ARG H . . 4.710 4.136 3.806 4.542 . 0 0 "[ . 1 . 2]" 1
605 1 49 THR MG 1 53 ARG QB . . 4.760 4.081 3.665 4.496 . 0 0 "[ . 1 . 2]" 1
606 1 49 THR MG 1 53 ARG QD . . 3.890 3.016 2.073 3.890 0.000 9 0 "[ . 1 . 2]" 1
607 1 49 THR MG 1 53 ARG QG . . 3.840 3.126 2.488 3.674 . 0 0 "[ . 1 . 2]" 1
608 1 50 ARG H 1 50 ARG HB2 . . 3.620 2.639 2.177 3.618 . 0 0 "[ . 1 . 2]" 1
609 1 50 ARG H 1 50 ARG HB3 . . 3.620 2.703 2.361 3.519 . 0 0 "[ . 1 . 2]" 1
610 1 50 ARG H 1 50 ARG QD . . 4.980 4.290 3.515 4.695 . 0 0 "[ . 1 . 2]" 1
611 1 50 ARG H 1 51 GLU H . . 3.610 2.563 2.393 2.751 . 0 0 "[ . 1 . 2]" 1
612 1 50 ARG HA 1 50 ARG QD . . 4.280 3.903 2.355 4.279 . 0 0 "[ . 1 . 2]" 1
613 1 50 ARG HA 1 50 ARG HG2 . . 4.000 3.123 2.200 3.912 . 0 0 "[ . 1 . 2]" 1
614 1 50 ARG HA 1 50 ARG QG . . 3.500 2.568 2.162 3.342 . 0 0 "[ . 1 . 2]" 1
615 1 50 ARG HA 1 50 ARG HG3 . . 4.000 2.835 2.349 3.807 . 0 0 "[ . 1 . 2]" 1
616 1 50 ARG HA 1 53 ARG H . . 4.470 3.519 3.301 3.765 . 0 0 "[ . 1 . 2]" 1
617 1 50 ARG HA 1 53 ARG QD . . 5.400 3.623 2.468 5.033 . 0 0 "[ . 1 . 2]" 1
618 1 50 ARG QB 1 50 ARG QD . . 3.480 2.148 2.006 2.381 . 0 0 "[ . 1 . 2]" 1
619 1 50 ARG QB 1 50 ARG QG . . 2.340 2.070 2.015 2.087 . 0 0 "[ . 1 . 2]" 1
620 1 50 ARG QB 1 51 GLU H . . 3.590 2.727 2.139 3.496 . 0 0 "[ . 1 . 2]" 1
621 1 50 ARG QG 1 53 ARG H . . 5.240 5.058 4.685 5.239 . 0 0 "[ . 1 . 2]" 1
622 1 51 GLU H 1 51 GLU HB2 . . 3.540 2.237 2.195 2.277 . 0 0 "[ . 1 . 2]" 1
623 1 51 GLU H 1 51 GLU QB . . 2.930 2.213 2.173 2.252 . 0 0 "[ . 1 . 2]" 1
624 1 51 GLU H 1 51 GLU HB3 . . 3.540 3.523 3.499 3.543 0.003 15 0 "[ . 1 . 2]" 1
625 1 51 GLU H 1 51 GLU QG . . 3.080 2.723 2.606 2.850 . 0 0 "[ . 1 . 2]" 1
626 1 51 GLU H 1 52 VAL H . . 3.280 2.642 2.531 2.757 . 0 0 "[ . 1 . 2]" 1
627 1 51 GLU H 1 52 VAL HA . . 5.360 5.256 5.164 5.360 . 0 0 "[ . 1 . 2]" 1
628 1 51 GLU H 1 52 VAL MG2 . . 4.570 4.096 3.933 4.265 . 0 0 "[ . 1 . 2]" 1
629 1 51 GLU HA 1 51 GLU QG . . 3.460 2.438 2.156 2.797 . 0 0 "[ . 1 . 2]" 1
630 1 51 GLU HA 1 54 LYS H . . 3.870 3.566 3.387 3.804 . 0 0 "[ . 1 . 2]" 1
631 1 51 GLU HA 1 54 LYS QB . . 3.530 2.614 2.360 2.885 . 0 0 "[ . 1 . 2]" 1
632 1 51 GLU HA 1 54 LYS QD . . 4.970 4.114 2.982 4.883 . 0 0 "[ . 1 . 2]" 1
633 1 51 GLU HA 1 54 LYS QG . . 4.900 4.294 3.703 4.850 . 0 0 "[ . 1 . 2]" 1
634 1 51 GLU QB 1 52 VAL H . . 3.360 2.740 2.599 2.913 . 0 0 "[ . 1 . 2]" 1
635 1 51 GLU QB 1 52 VAL MG2 . . 4.540 3.228 3.082 3.376 . 0 0 "[ . 1 . 2]" 1
636 1 51 GLU HB2 1 52 VAL H . . 3.870 2.873 2.725 3.072 . 0 0 "[ . 1 . 2]" 1
637 1 51 GLU HB3 1 52 VAL H . . 3.870 3.462 3.279 3.714 . 0 0 "[ . 1 . 2]" 1
638 1 52 VAL H 1 52 VAL HB . . 3.080 2.511 2.438 2.579 . 0 0 "[ . 1 . 2]" 1
639 1 52 VAL H 1 52 VAL MG1 . . 3.910 3.764 3.751 3.775 . 0 0 "[ . 1 . 2]" 1
640 1 52 VAL H 1 52 VAL MG2 . . 3.040 2.227 2.059 2.398 . 0 0 "[ . 1 . 2]" 1
641 1 52 VAL HA 1 52 VAL MG1 . . 3.340 2.391 2.296 2.451 . 0 0 "[ . 1 . 2]" 1
642 1 52 VAL HA 1 52 VAL MG2 . . 3.190 2.362 2.276 2.438 . 0 0 "[ . 1 . 2]" 1
643 1 52 VAL HA 1 54 LYS H . . 4.700 4.319 3.811 4.617 . 0 0 "[ . 1 . 2]" 1
644 1 52 VAL HA 1 55 TRP H . . 4.560 3.735 3.390 3.952 . 0 0 "[ . 1 . 2]" 1
645 1 52 VAL HA 1 55 TRP HB3 . . 4.540 3.412 2.991 3.864 . 0 0 "[ . 1 . 2]" 1
646 1 52 VAL HB 1 53 ARG H . . 3.330 2.490 2.269 2.657 . 0 0 "[ . 1 . 2]" 1
647 1 52 VAL MG1 1 53 ARG H . . 4.020 3.378 3.187 3.510 . 0 0 "[ . 1 . 2]" 1
648 1 52 VAL MG1 1 53 ARG HA . . 4.270 3.501 3.389 3.634 . 0 0 "[ . 1 . 2]" 1
649 1 52 VAL MG1 1 53 ARG QB . . 4.980 4.574 4.358 4.761 . 0 0 "[ . 1 . 2]" 1
650 1 52 VAL MG1 1 53 ARG HG2 . . 5.260 4.336 3.662 4.698 . 0 0 "[ . 1 . 2]" 1
651 1 52 VAL MG1 1 53 ARG HG3 . . 5.260 3.803 3.212 5.165 . 0 0 "[ . 1 . 2]" 1
652 1 52 VAL MG1 1 55 TRP H . . 5.160 4.800 4.354 5.158 . 0 0 "[ . 1 . 2]" 1
653 1 52 VAL MG1 1 56 PHE QD . . 3.810 3.233 2.714 3.553 . 0 0 "[ . 1 . 2]" 1
654 1 52 VAL MG1 1 56 PHE QE . . 3.640 2.599 2.249 2.829 . 0 0 "[ . 1 . 2]" 1
655 1 52 VAL MG2 1 53 ARG H . . 4.500 3.798 3.682 3.909 . 0 0 "[ . 1 . 2]" 1
656 1 52 VAL MG2 1 56 PHE QE . . 5.500 5.058 4.870 5.333 . 0 0 "[ . 1 . 2]" 1
657 1 53 ARG H 1 53 ARG QB . . 2.850 2.290 2.163 2.477 . 0 0 "[ . 1 . 2]" 1
658 1 53 ARG H 1 53 ARG QD . . 4.690 3.863 3.380 4.419 . 0 0 "[ . 1 . 2]" 1
659 1 53 ARG H 1 53 ARG QG . . 3.710 2.574 2.126 2.948 . 0 0 "[ . 1 . 2]" 1
660 1 53 ARG H 1 54 LYS H . . 3.450 2.566 2.411 2.736 . 0 0 "[ . 1 . 2]" 1
661 1 53 ARG H 1 54 LYS QB . . 4.610 4.302 4.165 4.443 . 0 0 "[ . 1 . 2]" 1
662 1 53 ARG HA 1 53 ARG HG2 . . 3.820 2.513 2.207 2.774 . 0 0 "[ . 1 . 2]" 1
663 1 53 ARG HA 1 53 ARG QG . . 3.250 2.351 2.161 2.710 . 0 0 "[ . 1 . 2]" 1
664 1 53 ARG HA 1 53 ARG HG3 . . 3.820 2.924 2.510 3.799 . 0 0 "[ . 1 . 2]" 1
665 1 53 ARG HA 1 56 PHE HB2 . . 4.180 3.274 2.813 3.438 . 0 0 "[ . 1 . 2]" 1
666 1 53 ARG HA 1 56 PHE HB3 . . 4.990 4.857 4.409 4.991 0.001 6 0 "[ . 1 . 2]" 1
667 1 53 ARG QB 1 53 ARG QD . . 3.020 2.182 2.093 2.655 . 0 0 "[ . 1 . 2]" 1
668 1 53 ARG QB 1 54 LYS H . . 3.190 2.779 2.538 3.130 . 0 0 "[ . 1 . 2]" 1
669 1 53 ARG QD 1 54 LYS H . . 5.360 4.973 4.429 5.357 . 0 0 "[ . 1 . 2]" 1
670 1 53 ARG QG 1 54 LYS H . . 4.970 4.289 3.987 4.521 . 0 0 "[ . 1 . 2]" 1
671 1 54 LYS H 1 54 LYS QB . . 3.280 2.227 2.153 2.295 . 0 0 "[ . 1 . 2]" 1
672 1 54 LYS H 1 54 LYS QD . . 5.340 4.257 3.695 4.479 . 0 0 "[ . 1 . 2]" 1
673 1 54 LYS H 1 54 LYS QG . . 4.200 3.981 3.840 4.047 . 0 0 "[ . 1 . 2]" 1
674 1 54 LYS H 1 55 TRP HB3 . . 5.030 4.811 4.620 4.979 . 0 0 "[ . 1 . 2]" 1
675 1 54 LYS HA 1 54 LYS HD2 . . 4.640 3.694 2.232 4.542 . 0 0 "[ . 1 . 2]" 1
676 1 54 LYS HA 1 54 LYS QD . . 4.020 3.279 2.211 3.996 . 0 0 "[ . 1 . 2]" 1
677 1 54 LYS HA 1 54 LYS HD3 . . 4.640 3.950 2.418 4.616 . 0 0 "[ . 1 . 2]" 1
678 1 54 LYS HA 1 54 LYS QG . . 3.570 2.433 2.228 2.819 . 0 0 "[ . 1 . 2]" 1
679 1 54 LYS HA 1 57 SER H . . 3.870 3.650 3.469 3.846 . 0 0 "[ . 1 . 2]" 1
680 1 54 LYS HA 1 58 ASP H . . 5.030 4.918 4.680 5.030 . 0 0 "[ . 1 . 2]" 1
681 1 54 LYS QB 1 54 LYS QD . . 3.470 2.170 2.067 2.313 . 0 0 "[ . 1 . 2]" 1
682 1 54 LYS QB 1 54 LYS QE . . 4.380 3.170 2.185 3.711 . 0 0 "[ . 1 . 2]" 1
683 1 54 LYS QB 1 55 TRP H . . 3.430 2.469 2.187 2.773 . 0 0 "[ . 1 . 2]" 1
684 1 54 LYS QB 1 57 SER H . . 5.270 5.099 4.930 5.271 0.001 3 0 "[ . 1 . 2]" 1
685 1 54 LYS QE 1 54 LYS QG . . 3.280 2.215 2.066 2.567 . 0 0 "[ . 1 . 2]" 1
686 1 54 LYS QG 1 55 TRP H . . 4.220 3.865 3.193 4.205 . 0 0 "[ . 1 . 2]" 1
687 1 54 LYS QG 1 58 ASP H . . 5.070 4.540 4.038 5.062 . 0 0 "[ . 1 . 2]" 1
688 1 55 TRP H 1 55 TRP HB2 . . 3.090 2.505 2.390 2.590 . 0 0 "[ . 1 . 2]" 1
689 1 55 TRP H 1 55 TRP HB3 . . 3.030 2.579 2.474 2.721 . 0 0 "[ . 1 . 2]" 1
690 1 55 TRP H 1 56 PHE H . . 3.600 2.939 2.602 3.184 . 0 0 "[ . 1 . 2]" 1
691 1 55 TRP H 1 56 PHE QD . . 4.510 4.288 4.090 4.505 . 0 0 "[ . 1 . 2]" 1
692 1 55 TRP HA 1 55 TRP HD1 . . 4.540 3.292 3.163 3.460 . 0 0 "[ . 1 . 2]" 1
693 1 55 TRP HA 1 58 ASP HB2 . . 4.560 3.070 2.663 3.590 . 0 0 "[ . 1 . 2]" 1
694 1 55 TRP HA 1 58 ASP QB . . 3.840 2.712 2.103 2.938 . 0 0 "[ . 1 . 2]" 1
695 1 55 TRP HA 1 58 ASP HB3 . . 4.560 3.329 2.172 4.552 . 0 0 "[ . 1 . 2]" 1
696 1 55 TRP HA 1 59 ARG H . . 4.580 4.314 3.849 4.567 . 0 0 "[ . 1 . 2]" 1
697 1 55 TRP HB2 1 56 PHE H . . 4.270 3.763 3.653 3.875 . 0 0 "[ . 1 . 2]" 1
698 1 55 TRP HB3 1 56 PHE H . . 3.990 2.364 2.209 2.596 . 0 0 "[ . 1 . 2]" 1
699 1 55 TRP HB3 1 56 PHE HB2 . . 4.790 4.640 4.483 4.775 . 0 0 "[ . 1 . 2]" 1
700 1 55 TRP HE3 1 56 PHE H . . 4.290 2.501 2.192 3.007 . 0 0 "[ . 1 . 2]" 1
701 1 55 TRP HE3 1 56 PHE HA . . 4.150 2.209 2.005 2.415 . 0 0 "[ . 1 . 2]" 1
702 1 55 TRP HE3 1 56 PHE QD . . 4.820 2.638 2.006 3.874 . 0 0 "[ . 1 . 2]" 1
703 1 55 TRP HZ2 1 59 ARG H . . 5.340 5.306 5.196 5.340 . 19 0 "[ . 1 . 2]" 1
704 1 56 PHE H 1 56 PHE HB2 . . 3.380 2.335 2.256 2.479 . 0 0 "[ . 1 . 2]" 1
705 1 56 PHE H 1 56 PHE HB3 . . 3.770 3.572 3.537 3.612 . 0 0 "[ . 1 . 2]" 1
706 1 56 PHE H 1 56 PHE QD . . 3.610 2.106 1.906 2.528 . 0 0 "[ . 1 . 2]" 1
707 1 56 PHE H 1 57 SER H . . 3.700 2.978 2.861 3.130 . 0 0 "[ . 1 . 2]" 1
708 1 56 PHE HA 1 59 ARG H . . 4.110 3.932 3.603 4.098 . 0 0 "[ . 1 . 2]" 1
709 1 56 PHE HA 1 59 ARG HB2 . . 4.690 3.720 3.105 4.537 . 0 0 "[ . 1 . 2]" 1
710 1 56 PHE HA 1 59 ARG HB3 . . 4.690 3.764 2.868 4.689 . 0 0 "[ . 1 . 2]" 1
711 1 56 PHE HB2 1 57 SER H . . 3.680 2.726 2.568 2.909 . 0 0 "[ . 1 . 2]" 1
712 1 56 PHE HB3 1 57 SER H . . 3.980 3.266 3.026 3.421 . 0 0 "[ . 1 . 2]" 1
713 1 56 PHE HB3 1 57 SER HA . . 4.410 4.064 3.958 4.188 . 0 0 "[ . 1 . 2]" 1
714 1 56 PHE QD 1 57 SER H . . 4.810 4.395 4.230 4.482 . 0 0 "[ . 1 . 2]" 1
715 1 57 SER H 1 57 SER HA . . 2.870 2.803 2.760 2.870 0.000 11 0 "[ . 1 . 2]" 1
716 1 57 SER H 1 58 ASP H . . 3.480 2.716 2.421 2.888 . 0 0 "[ . 1 . 2]" 1
717 1 57 SER H 1 58 ASP QB . . 4.860 4.471 4.179 4.705 . 0 0 "[ . 1 . 2]" 1
718 1 57 SER H 1 59 ARG H . . 5.290 4.698 4.436 4.927 . 0 0 "[ . 1 . 2]" 1
719 1 58 ASP H 1 58 ASP HB2 . . 3.950 2.463 2.215 2.687 . 0 0 "[ . 1 . 2]" 1
720 1 58 ASP H 1 58 ASP QB . . 3.160 2.265 2.150 2.513 . 0 0 "[ . 1 . 2]" 1
721 1 58 ASP H 1 58 ASP HB3 . . 3.950 2.839 2.388 3.592 . 0 0 "[ . 1 . 2]" 1
722 1 58 ASP H 1 59 ARG H . . 3.650 2.999 2.742 3.127 . 0 0 "[ . 1 . 2]" 1
723 1 58 ASP H 1 60 ARG H . . 5.020 4.395 4.112 4.665 . 0 0 "[ . 1 . 2]" 1
724 1 58 ASP HA 1 61 TYR H . . 3.900 3.654 3.500 3.847 . 0 0 "[ . 1 . 2]" 1
725 1 58 ASP HA 1 61 TYR HB2 . . 4.320 3.292 2.476 3.818 . 0 0 "[ . 1 . 2]" 1
726 1 58 ASP HA 1 61 TYR QB . . 3.740 2.821 2.050 3.354 . 0 0 "[ . 1 . 2]" 1
727 1 58 ASP HA 1 61 TYR HB3 . . 4.320 3.266 2.080 4.157 . 0 0 "[ . 1 . 2]" 1
728 1 58 ASP QB 1 59 ARG H . . 3.380 2.154 1.935 2.325 . 0 0 "[ . 1 . 2]" 1
729 1 58 ASP QB 1 60 ARG H . . 4.880 4.680 4.471 4.879 . 0 0 "[ . 1 . 2]" 1
730 1 58 ASP HB2 1 59 ARG H . . 4.120 3.271 2.206 3.780 . 0 0 "[ . 1 . 2]" 1
731 1 58 ASP HB3 1 59 ARG H . . 4.120 2.377 1.946 3.357 . 0 0 "[ . 1 . 2]" 1
732 1 59 ARG H 1 59 ARG HB2 . . 3.650 2.344 2.170 2.663 . 0 0 "[ . 1 . 2]" 1
733 1 59 ARG H 1 59 ARG QB . . 3.140 2.217 2.119 2.295 . 0 0 "[ . 1 . 2]" 1
734 1 59 ARG H 1 59 ARG HB3 . . 3.650 2.920 2.397 3.572 . 0 0 "[ . 1 . 2]" 1
735 1 59 ARG H 1 59 ARG QD . . 5.100 4.228 3.786 4.737 . 0 0 "[ . 1 . 2]" 1
736 1 59 ARG H 1 59 ARG QG . . 4.620 3.704 2.615 4.081 . 0 0 "[ . 1 . 2]" 1
737 1 59 ARG H 1 60 ARG H . . 3.490 3.031 2.827 3.172 . 0 0 "[ . 1 . 2]" 1
738 1 59 ARG H 1 60 ARG QB . . 5.340 4.917 4.640 5.330 . 0 0 "[ . 1 . 2]" 1
739 1 59 ARG HA 1 59 ARG QD . . 3.930 2.605 1.993 3.883 . 0 0 "[ . 1 . 2]" 1
740 1 59 ARG HA 1 61 TYR H . . 5.070 4.700 4.093 5.024 . 0 0 "[ . 1 . 2]" 1
741 1 59 ARG HA 1 62 HIS H . . 4.500 3.733 3.355 4.172 . 0 0 "[ . 1 . 2]" 1
742 1 59 ARG HA 1 62 HIS HB2 . . 4.370 3.430 2.738 4.278 . 0 0 "[ . 1 . 2]" 1
743 1 59 ARG HA 1 62 HIS QB . . 3.750 3.082 2.711 3.749 . 0 0 "[ . 1 . 2]" 1
744 1 59 ARG HA 1 62 HIS HB3 . . 4.370 3.777 3.073 4.361 . 0 0 "[ . 1 . 2]" 1
745 1 59 ARG QB 1 60 ARG H . . 3.700 2.341 2.052 2.645 . 0 0 "[ . 1 . 2]" 1
746 1 59 ARG HB2 1 60 ARG H . . 4.350 3.439 2.608 4.004 . 0 0 "[ . 1 . 2]" 1
747 1 59 ARG HB3 1 60 ARG H . . 4.350 2.477 2.072 3.141 . 0 0 "[ . 1 . 2]" 1
748 1 60 ARG H 1 60 ARG HB2 . . 3.970 2.637 2.216 3.595 . 0 0 "[ . 1 . 2]" 1
749 1 60 ARG H 1 60 ARG QB . . 3.290 2.393 2.194 2.588 . 0 0 "[ . 1 . 2]" 1
750 1 60 ARG H 1 60 ARG HB3 . . 3.970 3.369 2.511 3.600 . 0 0 "[ . 1 . 2]" 1
751 1 60 ARG H 1 60 ARG HG2 . . 4.060 2.970 1.959 3.946 . 0 0 "[ . 1 . 2]" 1
752 1 60 ARG H 1 60 ARG QG . . 3.410 2.376 1.890 3.323 . 0 0 "[ . 1 . 2]" 1
753 1 60 ARG H 1 60 ARG HG3 . . 4.060 2.936 1.904 3.666 . 0 0 "[ . 1 . 2]" 1
754 1 60 ARG H 1 61 TYR H . . 3.650 2.910 2.603 3.139 . 0 0 "[ . 1 . 2]" 1
755 1 60 ARG H 1 61 TYR QB . . 4.710 4.559 4.270 4.710 . 0 0 "[ . 1 . 2]" 1
756 1 60 ARG HA 1 63 CYS HB2 . . 4.580 3.389 2.456 4.418 . 0 0 "[ . 1 . 2]" 1
757 1 60 ARG HA 1 63 CYS HB3 . . 4.580 3.624 2.546 4.546 . 0 0 "[ . 1 . 2]" 1
758 1 60 ARG QB 1 60 ARG QD . . 3.320 2.279 2.069 2.636 . 0 0 "[ . 1 . 2]" 1
759 1 60 ARG QB 1 61 TYR H . . 3.580 2.545 2.037 3.523 . 0 0 "[ . 1 . 2]" 1
760 1 60 ARG HB2 1 61 TYR H . . 4.230 2.671 2.062 3.810 . 0 0 "[ . 1 . 2]" 1
761 1 60 ARG HB3 1 61 TYR H . . 4.230 3.315 2.859 4.148 . 0 0 "[ . 1 . 2]" 1
762 1 60 ARG HG2 1 61 TYR H . . 4.950 4.359 2.237 4.933 . 0 0 "[ . 1 . 2]" 1
763 1 60 ARG HG3 1 61 TYR H . . 4.950 4.100 1.946 4.918 . 0 0 "[ . 1 . 2]" 1
764 1 61 TYR H 1 61 TYR QB . . 2.940 2.222 2.139 2.273 . 0 0 "[ . 1 . 2]" 1
765 1 61 TYR H 1 61 TYR QD . . 4.520 4.005 3.241 4.211 . 0 0 "[ . 1 . 2]" 1
766 1 61 TYR H 1 62 HIS H . . 3.710 2.931 2.487 3.177 . 0 0 "[ . 1 . 2]" 1
767 1 61 TYR HA 1 61 TYR QD . . 4.000 2.558 1.999 3.142 . 0 0 "[ . 1 . 2]" 1
768 1 61 TYR HA 1 64 ARG QB . . 4.520 3.699 2.472 4.519 . 0 0 "[ . 1 . 2]" 1
769 1 61 TYR HA 1 64 ARG QD . . 4.180 2.753 1.972 3.795 . 0 0 "[ . 1 . 2]" 1
770 1 61 TYR HA 1 64 ARG QG . . 4.340 3.012 1.995 4.336 . 0 0 "[ . 1 . 2]" 1
771 1 61 TYR QB 1 62 HIS H . . 3.410 2.455 2.071 2.818 . 0 0 "[ . 1 . 2]" 1
772 1 61 TYR HB2 1 62 HIS H . . 3.920 3.622 2.563 3.919 . 0 0 "[ . 1 . 2]" 1
773 1 61 TYR HB3 1 62 HIS H . . 3.920 2.548 2.086 3.196 . 0 0 "[ . 1 . 2]" 1
774 1 61 TYR QD 1 62 HIS H . . 4.640 3.746 2.642 4.490 . 0 0 "[ . 1 . 2]" 1
775 1 61 TYR QD 1 64 ARG QD . . 3.820 3.179 2.088 3.792 . 0 0 "[ . 1 . 2]" 1
776 1 61 TYR QE 1 64 ARG QD . . 5.400 4.010 2.876 5.063 . 0 0 "[ . 1 . 2]" 1
777 1 62 HIS H 1 62 HIS HB2 . . 4.070 2.328 2.204 2.569 . 0 0 "[ . 1 . 2]" 1
778 1 62 HIS H 1 62 HIS QB . . 3.530 2.222 2.159 2.313 . 0 0 "[ . 1 . 2]" 1
779 1 62 HIS H 1 62 HIS HB3 . . 4.070 2.957 2.509 3.581 . 0 0 "[ . 1 . 2]" 1
780 1 62 HIS HB2 1 63 CYS H . . 4.440 3.574 2.376 4.388 . 0 0 "[ . 1 . 2]" 1
781 1 62 HIS HB3 1 63 CYS H . . 4.440 2.833 2.346 4.302 . 0 0 "[ . 1 . 2]" 1
782 1 63 CYS HA 1 66 LEU QB . . 5.340 3.731 2.710 5.327 . 0 0 "[ . 1 . 2]" 1
783 1 63 CYS HA 1 66 LEU QD . . 4.420 2.637 1.919 3.851 . 0 0 "[ . 1 . 2]" 1
784 1 63 CYS HA 1 66 LEU HG . . 5.500 4.402 2.354 5.499 . 0 0 "[ . 1 . 2]" 1
785 1 63 CYS QB 1 66 LEU QD . . 4.590 3.820 2.061 4.453 . 0 0 "[ . 1 . 2]" 1
786 1 64 ARG HA 1 64 ARG QD . . 4.770 3.813 2.320 4.580 . 0 0 "[ . 1 . 2]" 1
787 1 64 ARG HA 1 64 ARG QG . . 3.810 2.766 2.161 3.344 . 0 0 "[ . 1 . 2]" 1
788 1 64 ARG QB 1 64 ARG QD . . 3.340 2.273 2.098 2.599 . 0 0 "[ . 1 . 2]" 1
789 1 66 LEU HA 1 66 LEU QD . . 3.350 2.452 1.886 3.351 0.001 20 0 "[ . 1 . 2]" 1
790 1 66 LEU HA 1 66 LEU HG . . 4.100 3.080 2.362 3.730 . 0 0 "[ . 1 . 2]" 1
791 1 67 LYS HA 1 67 LYS QD . . 4.080 3.304 1.995 4.057 . 0 0 "[ . 1 . 2]" 1
792 1 67 LYS HA 1 67 LYS QG . . 3.570 2.554 2.172 3.431 . 0 0 "[ . 1 . 2]" 1
793 1 70 ARG HA 1 70 ARG QD . . 4.800 3.445 2.322 4.418 . 0 0 "[ . 1 . 2]" 1
794 1 72 GLY QA 1 73 PRO HD2 . . 3.440 2.192 1.991 2.614 . 0 0 "[ . 1 . 2]" 1
795 1 72 GLY QA 1 73 PRO HD3 . . 3.440 2.440 2.238 2.907 . 0 0 "[ . 1 . 2]" 1
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