NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416478 |
2djv   |
10261 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2djv
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 1238
_Distance_constraint_stats_list.Viol_count 148
_Distance_constraint_stats_list.Viol_total 29.998
_Distance_constraint_stats_list.Viol_max 0.205
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0101
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.001 0.001 15 0 "[ . 1 . 2]"
1 10 ALA 0.002 0.001 15 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.005 0.005 11 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.001 0.001 15 0 "[ . 1 . 2]"
1 15 ILE 0.006 0.005 11 0 "[ . 1 . 2]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 16 0 "[ . 1 . 2]"
1 18 LEU 0.016 0.007 7 0 "[ . 1 . 2]"
1 19 MET 0.006 0.006 7 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.012 0.004 7 0 "[ . 1 . 2]"
1 22 VAL 0.004 0.004 15 0 "[ . 1 . 2]"
1 23 THR 0.019 0.008 7 0 "[ . 1 . 2]"
1 24 LYS 0.052 0.012 7 0 "[ . 1 . 2]"
1 25 GLN 0.039 0.012 7 0 "[ . 1 . 2]"
1 26 GLY 0.005 0.003 18 0 "[ . 1 . 2]"
1 27 ASN 0.040 0.011 7 0 "[ . 1 . 2]"
1 28 ILE 0.035 0.012 7 0 "[ . 1 . 2]"
1 29 VAL 0.036 0.012 7 0 "[ . 1 . 2]"
1 30 ARG 0.057 0.019 16 0 "[ . 1 . 2]"
1 31 GLU 0.077 0.024 19 0 "[ . 1 . 2]"
1 32 LEU 0.074 0.024 19 0 "[ . 1 . 2]"
1 33 LYS 0.009 0.004 7 0 "[ . 1 . 2]"
1 34 ALA 0.001 0.001 15 0 "[ . 1 . 2]"
1 35 GLN 0.006 0.003 16 0 "[ . 1 . 2]"
1 36 LYS 0.029 0.027 15 0 "[ . 1 . 2]"
1 37 ALA 0.006 0.003 16 0 "[ . 1 . 2]"
1 38 ASP 0.007 0.007 7 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.008 0.007 7 0 "[ . 1 . 2]"
1 41 GLU 0.001 0.001 3 0 "[ . 1 . 2]"
1 42 VAL 0.017 0.007 15 0 "[ . 1 . 2]"
1 43 ALA 0.002 0.002 15 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.021 0.011 7 0 "[ . 1 . 2]"
1 46 VAL 0.007 0.007 15 0 "[ . 1 . 2]"
1 47 ALA 0.001 0.001 18 0 "[ . 1 . 2]"
1 48 LYS 0.231 0.205 20 0 "[ . 1 . 2]"
1 49 LEU 0.032 0.011 12 0 "[ . 1 . 2]"
1 50 LEU 0.011 0.005 18 0 "[ . 1 . 2]"
1 51 ASP 0.033 0.027 15 0 "[ . 1 . 2]"
1 52 LEU 0.083 0.050 15 0 "[ . 1 . 2]"
1 53 LYS 0.101 0.050 15 0 "[ . 1 . 2]"
1 54 LYS 0.080 0.028 15 0 "[ . 1 . 2]"
1 55 GLN 0.005 0.003 10 0 "[ . 1 . 2]"
1 56 LEU 0.029 0.007 7 0 "[ . 1 . 2]"
1 57 ALA 0.015 0.007 7 0 "[ . 1 . 2]"
1 58 VAL 0.100 0.092 10 0 "[ . 1 . 2]"
1 59 ALA 0.093 0.092 10 0 "[ . 1 . 2]"
1 60 GLU 0.001 0.001 7 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.052 0.052 11 0 "[ . 1 . 2]"
1 63 PRO 0.052 0.052 11 0 "[ . 1 . 2]"
1 64 PRO 0.247 0.078 14 0 "[ . 1 . 2]"
1 65 GLU 0.099 0.064 14 0 "[ . 1 . 2]"
1 66 ALA 0.495 0.116 16 0 "[ . 1 . 2]"
1 67 PRO 0.347 0.116 16 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 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 7 GLY QA 1 8 THR MG . . 5.150 4.069 3.392 5.108 . 0 0 "[ . 1 . 2]" 1
2 1 8 THR HB 1 9 THR H . . 5.500 3.888 2.147 4.633 . 0 0 "[ . 1 . 2]" 1
3 1 9 THR H 1 9 THR MG . . 4.230 2.894 1.885 3.972 . 0 0 "[ . 1 . 2]" 1
4 1 9 THR HA 1 9 THR MG . . 3.300 2.584 2.209 3.205 . 0 0 "[ . 1 . 2]" 1
5 1 9 THR HA 1 10 ALA MB . . 4.980 4.010 3.711 4.977 . 0 0 "[ . 1 . 2]" 1
6 1 9 THR MG 1 10 ALA H . . 4.240 3.551 2.047 4.241 0.001 15 0 "[ . 1 . 2]" 1
7 1 10 ALA H 1 14 GLN HG2 . . 5.500 4.825 4.433 5.334 . 0 0 "[ . 1 . 2]" 1
8 1 10 ALA HA 1 11 LYS H . . 3.040 2.297 2.140 2.455 . 0 0 "[ . 1 . 2]" 1
9 1 10 ALA HA 1 12 PRO QD . . 4.750 3.564 3.172 3.924 . 0 0 "[ . 1 . 2]" 1
10 1 10 ALA MB 1 11 LYS H . . 3.680 2.717 2.277 3.260 . 0 0 "[ . 1 . 2]" 1
11 1 10 ALA MB 1 12 PRO HD2 . . 4.780 2.501 2.081 3.126 . 0 0 "[ . 1 . 2]" 1
12 1 10 ALA MB 1 12 PRO HD3 . . 4.780 4.068 3.728 4.669 . 0 0 "[ . 1 . 2]" 1
13 1 10 ALA MB 1 12 PRO QG . . 5.090 2.931 2.721 3.740 . 0 0 "[ . 1 . 2]" 1
14 1 10 ALA MB 1 13 GLN H . . 4.200 2.551 2.211 2.846 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA MB 1 13 GLN HA . . 4.310 3.958 3.778 4.222 . 0 0 "[ . 1 . 2]" 1
16 1 10 ALA MB 1 13 GLN QG . . 4.770 2.733 1.775 3.617 . 0 0 "[ . 1 . 2]" 1
17 1 10 ALA MB 1 14 GLN QB . . 4.800 4.552 2.836 4.801 0.001 15 0 "[ . 1 . 2]" 1
18 1 10 ALA MB 1 14 GLN HG2 . . 5.440 4.838 3.839 5.132 . 0 0 "[ . 1 . 2]" 1
19 1 11 LYS H 1 11 LYS HB2 . . 3.970 2.398 2.148 3.010 . 0 0 "[ . 1 . 2]" 1
20 1 11 LYS H 1 11 LYS QB . . 3.250 2.130 2.103 2.194 . 0 0 "[ . 1 . 2]" 1
21 1 11 LYS H 1 11 LYS HB3 . . 3.970 3.073 2.147 3.470 . 0 0 "[ . 1 . 2]" 1
22 1 11 LYS H 1 11 LYS QG . . 3.900 3.372 2.916 3.842 . 0 0 "[ . 1 . 2]" 1
23 1 11 LYS H 1 12 PRO HD2 . . 4.590 1.976 1.821 2.270 . 0 0 "[ . 1 . 2]" 1
24 1 11 LYS H 1 12 PRO QD . . 4.020 1.953 1.809 2.232 . 0 0 "[ . 1 . 2]" 1
25 1 11 LYS H 1 12 PRO HD3 . . 4.590 3.073 3.012 3.291 . 0 0 "[ . 1 . 2]" 1
26 1 11 LYS H 1 12 PRO QG . . 4.570 3.888 3.690 4.154 . 0 0 "[ . 1 . 2]" 1
27 1 11 LYS HA 1 11 LYS QD . . 4.550 2.529 2.036 3.741 . 0 0 "[ . 1 . 2]" 1
28 1 11 LYS HA 1 12 PRO QD . . 3.520 3.468 3.466 3.469 . 0 0 "[ . 1 . 2]" 1
29 1 11 LYS HA 1 14 GLN QB . . 4.560 4.040 3.857 4.318 . 0 0 "[ . 1 . 2]" 1
30 1 11 LYS QB 1 12 PRO QD . . 3.000 1.831 1.685 1.882 . 0 0 "[ . 1 . 2]" 1
31 1 11 LYS QB 1 12 PRO QG . . 4.070 3.640 3.416 3.774 . 0 0 "[ . 1 . 2]" 1
32 1 11 LYS HB2 1 12 PRO HD2 . . 4.400 2.884 2.187 3.953 . 0 0 "[ . 1 . 2]" 1
33 1 11 LYS HB2 1 12 PRO HD3 . . 4.400 2.433 1.950 3.551 . 0 0 "[ . 1 . 2]" 1
34 1 11 LYS HB2 1 14 GLN HG2 . . 5.500 5.146 4.709 5.470 . 0 0 "[ . 1 . 2]" 1
35 1 11 LYS HB3 1 12 PRO HD2 . . 4.400 3.115 2.449 3.422 . 0 0 "[ . 1 . 2]" 1
36 1 11 LYS HB3 1 12 PRO HD3 . . 4.400 2.271 1.960 2.435 . 0 0 "[ . 1 . 2]" 1
37 1 11 LYS HB3 1 14 GLN HG2 . . 5.500 4.909 4.470 5.497 . 0 0 "[ . 1 . 2]" 1
38 1 11 LYS QD 1 14 GLN HG2 . . 5.500 4.072 3.352 5.390 . 0 0 "[ . 1 . 2]" 1
39 1 11 LYS QG 1 12 PRO HD2 . . 4.930 3.925 3.212 4.430 . 0 0 "[ . 1 . 2]" 1
40 1 11 LYS QG 1 12 PRO HD3 . . 4.930 3.269 1.970 3.929 . 0 0 "[ . 1 . 2]" 1
41 1 11 LYS QG 1 14 GLN HG2 . . 5.090 4.558 3.968 4.973 . 0 0 "[ . 1 . 2]" 1
42 1 12 PRO HA 1 15 ILE H . . 4.790 4.070 3.852 4.287 . 0 0 "[ . 1 . 2]" 1
43 1 12 PRO HA 1 15 ILE HB . . 4.180 3.696 3.181 4.099 . 0 0 "[ . 1 . 2]" 1
44 1 12 PRO HA 1 15 ILE MD . . 4.050 1.970 1.780 2.350 . 0 0 "[ . 1 . 2]" 1
45 1 12 PRO HA 1 15 ILE MG . . 4.940 4.529 4.223 4.746 . 0 0 "[ . 1 . 2]" 1
46 1 12 PRO QB 1 15 ILE HB . . 5.280 4.983 4.635 5.280 . 0 0 "[ . 1 . 2]" 1
47 1 12 PRO QD 1 13 GLN H . . 4.800 2.868 2.614 2.971 . 0 0 "[ . 1 . 2]" 1
48 1 12 PRO QD 1 15 ILE MD . . 4.600 4.279 3.796 4.571 . 0 0 "[ . 1 . 2]" 1
49 1 12 PRO HD2 1 15 ILE MD . . 5.420 5.182 4.701 5.425 0.005 11 0 "[ . 1 . 2]" 1
50 1 12 PRO HD3 1 15 ILE MD . . 5.420 4.561 4.006 4.921 . 0 0 "[ . 1 . 2]" 1
51 1 12 PRO QG 1 15 ILE MD . . 5.120 4.649 4.430 4.921 . 0 0 "[ . 1 . 2]" 1
52 1 13 GLN H 1 13 GLN QG . . 4.470 3.633 2.723 4.179 . 0 0 "[ . 1 . 2]" 1
53 1 13 GLN H 1 15 ILE MD . . 5.140 4.298 4.054 4.715 . 0 0 "[ . 1 . 2]" 1
54 1 13 GLN HA 1 13 GLN QG . . 3.610 2.512 2.266 2.954 . 0 0 "[ . 1 . 2]" 1
55 1 13 GLN QB 1 14 GLN H . . 3.890 2.353 1.971 2.681 . 0 0 "[ . 1 . 2]" 1
56 1 13 GLN QG 1 14 GLN H . . 4.790 3.876 3.273 4.390 . 0 0 "[ . 1 . 2]" 1
57 1 14 GLN H 1 14 GLN HG2 . . 3.620 2.481 2.299 2.726 . 0 0 "[ . 1 . 2]" 1
58 1 14 GLN H 1 14 GLN HG3 . . 5.170 3.452 3.101 3.725 . 0 0 "[ . 1 . 2]" 1
59 1 14 GLN H 1 15 ILE H . . 4.110 2.777 2.509 2.925 . 0 0 "[ . 1 . 2]" 1
60 1 14 GLN H 1 15 ILE HB . . 5.110 4.978 4.826 5.082 . 0 0 "[ . 1 . 2]" 1
61 1 14 GLN H 1 17 ALA MB . . 5.100 4.948 4.692 5.100 . 0 0 "[ . 1 . 2]" 1
62 1 14 GLN HA 1 14 GLN HG2 . . 3.990 3.848 3.716 3.968 . 0 0 "[ . 1 . 2]" 1
63 1 14 GLN HA 1 17 ALA H . . 4.390 3.384 3.038 3.552 . 0 0 "[ . 1 . 2]" 1
64 1 14 GLN HA 1 17 ALA MB . . 3.480 2.587 2.400 2.740 . 0 0 "[ . 1 . 2]" 1
65 1 14 GLN QB 1 15 ILE H . . 3.760 3.488 3.293 3.608 . 0 0 "[ . 1 . 2]" 1
66 1 14 GLN QB 1 15 ILE HA . . 5.050 4.505 4.414 4.615 . 0 0 "[ . 1 . 2]" 1
67 1 14 GLN QB 1 15 ILE HG13 . . 5.400 4.723 4.526 4.981 . 0 0 "[ . 1 . 2]" 1
68 1 14 GLN QB 1 17 ALA MB . . 4.360 3.532 3.084 3.731 . 0 0 "[ . 1 . 2]" 1
69 1 14 GLN QB 1 18 LEU H . . 5.500 4.409 4.082 4.847 . 0 0 "[ . 1 . 2]" 1
70 1 14 GLN QB 1 18 LEU QD . . 4.010 3.104 2.500 3.571 . 0 0 "[ . 1 . 2]" 1
71 1 14 GLN QB 1 18 LEU HG . . 4.600 3.378 3.125 3.765 . 0 0 "[ . 1 . 2]" 1
72 1 14 GLN QE 1 18 LEU QD . . 4.800 2.916 1.915 3.882 . 0 0 "[ . 1 . 2]" 1
73 1 14 GLN HG2 1 15 ILE HB . . 5.500 5.081 4.334 5.494 . 0 0 "[ . 1 . 2]" 1
74 1 14 GLN HG2 1 15 ILE MD . . 4.940 4.511 3.944 4.920 . 0 0 "[ . 1 . 2]" 1
75 1 14 GLN HG2 1 18 LEU QD . . 5.130 3.796 3.520 4.253 . 0 0 "[ . 1 . 2]" 1
76 1 14 GLN HG2 1 18 LEU HG . . 5.500 5.300 4.952 5.486 . 0 0 "[ . 1 . 2]" 1
77 1 14 GLN HG2 1 59 ALA MB . . 4.790 3.912 3.299 4.790 . 0 0 "[ . 1 . 2]" 1
78 1 14 GLN HG3 1 15 ILE HB . . 4.920 4.567 4.372 4.917 . 0 0 "[ . 1 . 2]" 1
79 1 14 GLN HG3 1 17 ALA MB . . 5.010 4.885 4.558 5.010 . 16 0 "[ . 1 . 2]" 1
80 1 14 GLN HG3 1 18 LEU QD . . 4.410 2.349 2.000 2.820 . 0 0 "[ . 1 . 2]" 1
81 1 14 GLN HG3 1 18 LEU HG . . 4.900 3.728 3.218 3.967 . 0 0 "[ . 1 . 2]" 1
82 1 14 GLN HG3 1 59 ALA MB . . 4.510 3.021 2.389 4.050 . 0 0 "[ . 1 . 2]" 1
83 1 15 ILE H 1 15 ILE HB . . 3.520 2.567 2.438 2.680 . 0 0 "[ . 1 . 2]" 1
84 1 15 ILE H 1 15 ILE MD . . 4.050 3.430 3.241 3.563 . 0 0 "[ . 1 . 2]" 1
85 1 15 ILE H 1 15 ILE HG12 . . 3.610 3.463 3.257 3.607 . 0 0 "[ . 1 . 2]" 1
86 1 15 ILE H 1 15 ILE HG13 . . 3.780 2.075 1.900 2.286 . 0 0 "[ . 1 . 2]" 1
87 1 15 ILE H 1 15 ILE MG . . 4.130 3.770 3.747 3.782 . 0 0 "[ . 1 . 2]" 1
88 1 15 ILE H 1 16 GLN H . . 3.510 3.060 2.931 3.221 . 0 0 "[ . 1 . 2]" 1
89 1 15 ILE H 1 18 LEU QD . . 4.860 3.667 3.366 4.028 . 0 0 "[ . 1 . 2]" 1
90 1 15 ILE HA 1 15 ILE MD . . 4.040 3.839 3.803 3.876 . 0 0 "[ . 1 . 2]" 1
91 1 15 ILE HA 1 15 ILE HG12 . . 3.940 2.592 2.498 2.724 . 0 0 "[ . 1 . 2]" 1
92 1 15 ILE HA 1 15 ILE HG13 . . 3.970 2.806 2.678 2.952 . 0 0 "[ . 1 . 2]" 1
93 1 15 ILE HA 1 15 ILE MG . . 3.310 2.443 2.351 2.512 . 0 0 "[ . 1 . 2]" 1
94 1 15 ILE HA 1 17 ALA MB . . 5.380 4.918 4.728 5.158 . 0 0 "[ . 1 . 2]" 1
95 1 15 ILE HA 1 18 LEU H . . 4.190 3.490 3.155 3.719 . 0 0 "[ . 1 . 2]" 1
96 1 15 ILE HA 1 18 LEU HB2 . . 4.580 2.743 2.269 3.020 . 0 0 "[ . 1 . 2]" 1
97 1 15 ILE HA 1 18 LEU HB3 . . 4.580 4.327 3.849 4.531 . 0 0 "[ . 1 . 2]" 1
98 1 15 ILE HA 1 18 LEU QD . . 3.670 2.235 1.948 2.598 . 0 0 "[ . 1 . 2]" 1
99 1 15 ILE HA 1 19 MET H . . 5.180 3.952 3.726 4.295 . 0 0 "[ . 1 . 2]" 1
100 1 15 ILE HA 1 56 LEU MD2 . . 4.050 3.557 3.191 4.040 . 0 0 "[ . 1 . 2]" 1
101 1 15 ILE HA 1 59 ALA MB . . 4.240 2.967 2.611 3.460 . 0 0 "[ . 1 . 2]" 1
102 1 15 ILE HB 1 15 ILE MD . . 3.260 2.274 2.148 2.372 . 0 0 "[ . 1 . 2]" 1
103 1 15 ILE HB 1 16 GLN H . . 3.410 2.290 2.108 2.628 . 0 0 "[ . 1 . 2]" 1
104 1 15 ILE HB 1 16 GLN HA . . 5.060 4.264 4.139 4.471 . 0 0 "[ . 1 . 2]" 1
105 1 15 ILE HB 1 59 ALA MB . . 4.630 4.512 4.226 4.631 0.001 11 0 "[ . 1 . 2]" 1
106 1 15 ILE MD 1 16 GLN H . . 5.050 4.222 3.993 4.506 . 0 0 "[ . 1 . 2]" 1
107 1 15 ILE MD 1 60 GLU H . . 4.730 4.117 3.494 4.476 . 0 0 "[ . 1 . 2]" 1
108 1 15 ILE MD 1 60 GLU HA . . 3.420 2.418 2.021 3.160 . 0 0 "[ . 1 . 2]" 1
109 1 15 ILE MD 1 60 GLU HB2 . . 5.150 4.740 4.365 5.107 . 0 0 "[ . 1 . 2]" 1
110 1 15 ILE MD 1 60 GLU HB3 . . 5.150 4.311 3.776 4.837 . 0 0 "[ . 1 . 2]" 1
111 1 15 ILE MD 1 60 GLU HG2 . . 4.100 3.033 2.659 3.801 . 0 0 "[ . 1 . 2]" 1
112 1 15 ILE MD 1 60 GLU QG . . 3.440 2.852 2.257 3.398 . 0 0 "[ . 1 . 2]" 1
113 1 15 ILE MD 1 60 GLU HG3 . . 4.100 3.795 2.274 4.068 . 0 0 "[ . 1 . 2]" 1
114 1 15 ILE HG12 1 15 ILE MG . . 3.280 2.276 2.148 2.397 . 0 0 "[ . 1 . 2]" 1
115 1 15 ILE HG12 1 60 GLU H . . 4.940 3.758 3.071 4.494 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE HG12 1 60 GLU HA . . 4.640 3.396 2.922 4.299 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE HG12 1 60 GLU QG . . 4.160 3.162 2.672 3.898 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE HG13 1 59 ALA HA . . 5.340 4.776 4.322 5.123 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE HG13 1 59 ALA MB . . 4.130 2.841 2.437 3.195 . 0 0 "[ . 1 . 2]" 1
120 1 15 ILE HG13 1 60 GLU HA . . 5.500 4.632 4.082 5.412 . 0 0 "[ . 1 . 2]" 1
121 1 15 ILE HG13 1 60 GLU QG . . 5.340 4.637 4.307 5.335 . 0 0 "[ . 1 . 2]" 1
122 1 15 ILE MG 1 16 GLN H . . 3.700 2.987 2.760 3.328 . 0 0 "[ . 1 . 2]" 1
123 1 15 ILE MG 1 16 GLN HA . . 4.000 3.179 2.920 3.432 . 0 0 "[ . 1 . 2]" 1
124 1 15 ILE MG 1 18 LEU H . . 5.080 4.543 4.185 4.881 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE MG 1 18 LEU QD . . 4.480 3.664 3.056 3.904 . 0 0 "[ . 1 . 2]" 1
126 1 15 ILE MG 1 19 MET H . . 4.700 3.643 3.258 4.018 . 0 0 "[ . 1 . 2]" 1
127 1 15 ILE MG 1 19 MET ME . . 3.150 2.209 1.766 3.149 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE MG 1 19 MET QG . . 3.610 2.498 2.032 2.939 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE MG 1 59 ALA MB . . 4.030 3.330 2.919 3.763 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE MG 1 60 GLU H . . 5.170 4.239 3.387 4.783 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE MG 1 60 GLU HA . . 4.290 3.660 2.454 4.281 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE MG 1 60 GLU HG2 . . 4.000 2.529 1.966 3.279 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE MG 1 60 GLU QG . . 3.450 2.314 1.815 2.980 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE MG 1 60 GLU HG3 . . 4.000 2.870 2.095 3.635 . 0 0 "[ . 1 . 2]" 1
135 1 16 GLN H 1 16 GLN HB2 . . 3.560 2.457 2.220 2.623 . 0 0 "[ . 1 . 2]" 1
136 1 16 GLN H 1 16 GLN QB . . 3.030 2.234 2.154 2.263 . 0 0 "[ . 1 . 2]" 1
137 1 16 GLN H 1 16 GLN HB3 . . 3.560 2.617 2.433 2.903 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLN H 1 16 GLN QG . . 4.190 4.045 3.987 4.076 . 0 0 "[ . 1 . 2]" 1
139 1 16 GLN H 1 17 ALA H . . 3.510 2.880 2.686 3.018 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLN H 1 18 LEU H . . 5.090 4.339 3.968 4.668 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLN H 1 19 MET H . . 5.100 4.946 4.729 5.096 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLN HA 1 16 GLN HE21 . . 4.880 2.895 2.040 3.751 . 0 0 "[ . 1 . 2]" 1
143 1 16 GLN HA 1 16 GLN QE . . 4.150 2.724 2.002 3.340 . 0 0 "[ . 1 . 2]" 1
144 1 16 GLN HA 1 16 GLN HE22 . . 4.880 3.401 2.904 3.908 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLN HA 1 16 GLN QG . . 3.900 2.970 2.654 3.213 . 0 0 "[ . 1 . 2]" 1
146 1 16 GLN HA 1 19 MET QB . . 3.640 2.956 2.588 3.372 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLN HA 1 19 MET ME . . 3.910 2.498 1.833 3.873 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLN HA 1 19 MET QG . . 4.340 3.576 2.950 4.115 . 0 0 "[ . 1 . 2]" 1
149 1 16 GLN QB 1 17 ALA H . . 3.320 2.505 2.276 2.735 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLN HB2 1 17 ALA H . . 4.020 3.823 3.567 3.993 . 0 0 "[ . 1 . 2]" 1
151 1 16 GLN HB3 1 17 ALA H . . 4.020 2.541 2.295 2.785 . 0 0 "[ . 1 . 2]" 1
152 1 16 GLN QE 1 16 GLN QG . . 3.060 2.173 2.068 2.523 . 0 0 "[ . 1 . 2]" 1
153 1 16 GLN QE 1 19 MET QB . . 3.960 3.130 2.759 3.628 . 0 0 "[ . 1 . 2]" 1
154 1 16 GLN QE 1 19 MET ME . . 4.070 2.892 1.919 3.685 . 0 0 "[ . 1 . 2]" 1
155 1 16 GLN QE 1 20 ASP H . . 4.770 4.092 3.580 4.704 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLN HE21 1 19 MET QB . . 4.510 3.526 2.875 4.202 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLN HE21 1 19 MET ME . . 4.630 3.604 2.688 4.608 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLN HE22 1 16 GLN QG . . 3.790 3.283 3.225 3.421 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLN HE22 1 19 MET QB . . 4.510 3.634 2.854 4.231 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLN HE22 1 19 MET ME . . 4.630 3.083 1.965 3.876 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLN QG 1 17 ALA H . . 4.500 3.576 3.023 4.005 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLN QG 1 17 ALA HA . . 4.490 3.673 3.308 4.231 . 0 0 "[ . 1 . 2]" 1
163 1 16 GLN QG 1 17 ALA MB . . 5.420 4.281 3.907 4.739 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLN QG 1 20 ASP H . . 5.500 4.972 4.684 5.191 . 0 0 "[ . 1 . 2]" 1
165 1 17 ALA H 1 17 ALA MB . . 2.950 2.136 2.025 2.214 . 0 0 "[ . 1 . 2]" 1
166 1 17 ALA H 1 18 LEU H . . 3.530 2.711 2.463 2.888 . 0 0 "[ . 1 . 2]" 1
167 1 17 ALA H 1 18 LEU HG . . 5.500 4.590 4.286 4.985 . 0 0 "[ . 1 . 2]" 1
168 1 17 ALA H 1 19 MET H . . 4.820 4.452 4.139 4.755 . 0 0 "[ . 1 . 2]" 1
169 1 17 ALA HA 1 20 ASP H . . 4.100 3.788 3.445 4.082 . 0 0 "[ . 1 . 2]" 1
170 1 17 ALA HA 1 20 ASP HB2 . . 4.200 3.607 2.686 4.084 . 0 0 "[ . 1 . 2]" 1
171 1 17 ALA HA 1 20 ASP QB . . 3.490 3.116 2.656 3.412 . 0 0 "[ . 1 . 2]" 1
172 1 17 ALA HA 1 20 ASP HB3 . . 4.200 3.496 2.973 4.198 . 0 0 "[ . 1 . 2]" 1
173 1 17 ALA HA 1 21 GLU H . . 4.930 4.564 4.139 4.855 . 0 0 "[ . 1 . 2]" 1
174 1 17 ALA MB 1 18 LEU H . . 3.470 2.583 2.239 2.958 . 0 0 "[ . 1 . 2]" 1
175 1 17 ALA MB 1 19 MET H . . 5.030 4.754 4.517 5.013 . 0 0 "[ . 1 . 2]" 1
176 1 17 ALA MB 1 20 ASP H . . 5.180 4.759 4.498 5.082 . 0 0 "[ . 1 . 2]" 1
177 1 17 ALA MB 1 20 ASP QB . . 4.590 4.167 3.848 4.419 . 0 0 "[ . 1 . 2]" 1
178 1 17 ALA MB 1 21 GLU QG . . 4.700 3.885 3.265 4.540 . 0 0 "[ . 1 . 2]" 1
179 1 18 LEU H 1 18 LEU HB2 . . 3.640 2.447 2.208 2.569 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU H 1 18 LEU HB3 . . 3.640 3.579 3.511 3.629 . 0 0 "[ . 1 . 2]" 1
181 1 18 LEU H 1 18 LEU MD1 . . 4.420 3.403 3.159 3.679 . 0 0 "[ . 1 . 2]" 1
182 1 18 LEU H 1 18 LEU QD . . 3.790 3.114 2.969 3.348 . 0 0 "[ . 1 . 2]" 1
183 1 18 LEU H 1 18 LEU MD2 . . 4.420 3.631 3.460 3.907 . 0 0 "[ . 1 . 2]" 1
184 1 18 LEU H 1 18 LEU HG . . 3.630 2.351 2.095 2.860 . 0 0 "[ . 1 . 2]" 1
185 1 18 LEU H 1 19 MET H . . 3.500 2.840 2.488 2.969 . 0 0 "[ . 1 . 2]" 1
186 1 18 LEU H 1 19 MET QB . . 4.870 4.589 4.298 4.758 . 0 0 "[ . 1 . 2]" 1
187 1 18 LEU H 1 20 ASP H . . 4.810 4.214 3.732 4.644 . 0 0 "[ . 1 . 2]" 1
188 1 18 LEU H 1 21 GLU H . . 4.980 4.921 4.786 4.979 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU H 1 56 LEU MD2 . . 5.500 4.234 3.856 5.501 0.001 7 0 "[ . 1 . 2]" 1
190 1 18 LEU HA 1 18 LEU QD . . 3.110 2.213 1.968 2.479 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU HA 1 18 LEU HG . . 3.860 2.887 2.747 3.115 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU HA 1 21 GLU H . . 4.010 3.401 3.172 3.693 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU HA 1 21 GLU QG . . 3.370 2.299 1.953 2.792 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU HA 1 22 VAL H . . 4.820 4.044 3.284 4.436 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU HA 1 52 LEU MD2 . . 4.460 3.960 3.493 4.440 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU QB 1 18 LEU QD . . 2.700 1.876 1.794 1.939 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU QB 1 19 MET H . . 3.640 2.279 2.059 2.464 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU QB 1 21 GLU QG . . 4.670 3.973 3.503 4.479 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU QB 1 56 LEU HA . . 3.520 2.896 2.487 3.305 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU QB 1 56 LEU MD2 . . 3.130 1.964 1.704 3.126 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU QB 1 59 ALA MB . . 4.530 3.672 3.292 4.264 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU HB2 1 18 LEU MD1 . . 3.650 2.185 2.027 2.356 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU HB2 1 18 LEU MD2 . . 3.650 3.165 3.122 3.189 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU HB2 1 21 GLU QG . . 5.500 4.888 4.445 5.417 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU HB2 1 56 LEU MD2 . . 3.610 2.360 1.909 3.420 . 0 0 "[ . 1 . 2]" 1
206 1 18 LEU HB3 1 18 LEU MD1 . . 3.650 2.500 2.341 2.687 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU HB3 1 18 LEU MD2 . . 3.650 2.233 2.068 2.359 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU HB3 1 21 GLU QG . . 5.500 4.209 3.657 4.805 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU HB3 1 56 LEU MD2 . . 3.610 2.156 1.813 3.617 0.007 7 0 "[ . 1 . 2]" 1
210 1 18 LEU QD 1 19 MET H . . 4.810 3.848 3.687 4.004 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU QD 1 21 GLU H . . 5.440 4.885 4.638 5.145 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU QD 1 21 GLU QG . . 4.210 3.178 2.795 3.585 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU QD 1 55 GLN H . . 5.060 4.758 4.326 5.060 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU QD 1 55 GLN HA . . 4.410 4.003 3.613 4.410 0.000 16 0 "[ . 1 . 2]" 1
215 1 18 LEU QD 1 55 GLN QB . . 3.040 2.327 1.918 2.684 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU QD 1 55 GLN QG . . 4.490 3.832 3.370 4.177 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU QD 1 56 LEU H . . 3.970 3.731 3.047 3.942 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU QD 1 56 LEU HA . . 3.300 2.402 1.809 2.847 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU QD 1 57 ALA H . . 5.440 5.086 4.390 5.445 0.005 11 0 "[ . 1 . 2]" 1
220 1 18 LEU QD 1 59 ALA H . . 4.390 3.771 3.231 4.306 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU QD 1 59 ALA MB . . 2.940 2.045 1.641 2.646 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU QD 1 60 GLU H . . 5.260 4.495 3.674 5.025 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU MD1 1 19 MET H . . 5.500 4.115 3.903 4.366 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU MD1 1 55 GLN HB2 . . 4.850 4.312 3.434 4.794 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU MD1 1 55 GLN HB3 . . 4.850 3.205 2.402 3.631 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU MD1 1 56 LEU H . . 4.540 4.241 3.690 4.539 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU MD2 1 19 MET H . . 5.500 4.639 4.427 4.749 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU MD2 1 55 GLN HB2 . . 4.850 3.257 2.561 3.760 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU MD2 1 55 GLN HB3 . . 4.850 2.516 1.962 2.893 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU MD2 1 56 LEU H . . 4.540 4.197 3.180 4.540 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU HG 1 19 MET H . . 4.990 4.363 4.068 4.629 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU HG 1 21 GLU QG . . 4.740 4.590 4.229 4.744 0.004 7 0 "[ . 1 . 2]" 1
233 1 19 MET H 1 19 MET QB . . 3.230 2.394 2.194 2.638 . 0 0 "[ . 1 . 2]" 1
234 1 19 MET H 1 19 MET ME . . 4.810 3.947 3.396 4.784 . 0 0 "[ . 1 . 2]" 1
235 1 19 MET H 1 19 MET QG . . 3.390 2.393 1.892 2.777 . 0 0 "[ . 1 . 2]" 1
236 1 19 MET H 1 20 ASP H . . 3.480 2.936 2.733 3.164 . 0 0 "[ . 1 . 2]" 1
237 1 19 MET H 1 56 LEU MD1 . . 4.700 4.475 3.159 4.700 . 0 0 "[ . 1 . 2]" 1
238 1 19 MET H 1 56 LEU MD2 . . 4.190 2.637 2.151 4.196 0.006 7 0 "[ . 1 . 2]" 1
239 1 19 MET HA 1 19 MET HG2 . . 4.210 2.377 2.180 2.874 . 0 0 "[ . 1 . 2]" 1
240 1 19 MET HA 1 19 MET QG . . 3.430 2.276 2.137 2.527 . 0 0 "[ . 1 . 2]" 1
241 1 19 MET HA 1 19 MET HG3 . . 4.210 3.051 2.699 3.238 . 0 0 "[ . 1 . 2]" 1
242 1 19 MET HA 1 22 VAL H . . 4.290 3.761 3.556 4.279 . 0 0 "[ . 1 . 2]" 1
243 1 19 MET HA 1 22 VAL HB . . 3.670 2.988 2.366 3.611 . 0 0 "[ . 1 . 2]" 1
244 1 19 MET HA 1 56 LEU MD1 . . 4.020 3.698 1.963 4.007 . 0 0 "[ . 1 . 2]" 1
245 1 19 MET HA 1 56 LEU HG . . 5.130 3.229 2.655 3.743 . 0 0 "[ . 1 . 2]" 1
246 1 19 MET QB 1 20 ASP H . . 3.400 2.594 2.196 2.962 . 0 0 "[ . 1 . 2]" 1
247 1 19 MET QB 1 20 ASP HA . . 4.740 3.854 3.763 3.984 . 0 0 "[ . 1 . 2]" 1
248 1 19 MET QB 1 20 ASP QB . . 5.340 3.915 3.737 4.339 . 0 0 "[ . 1 . 2]" 1
249 1 19 MET QB 1 56 LEU MD1 . . 4.690 4.422 3.366 4.671 . 0 0 "[ . 1 . 2]" 1
250 1 19 MET ME 1 20 ASP H . . 5.210 4.927 4.221 5.209 . 0 0 "[ . 1 . 2]" 1
251 1 19 MET QG 1 56 LEU MD1 . . 3.530 2.689 1.931 3.186 . 0 0 "[ . 1 . 2]" 1
252 1 19 MET QG 1 56 LEU MD2 . . 3.200 2.069 1.818 2.793 . 0 0 "[ . 1 . 2]" 1
253 1 19 MET QG 1 56 LEU HG . . 4.390 3.374 2.886 3.910 . 0 0 "[ . 1 . 2]" 1
254 1 19 MET HG2 1 20 ASP H . . 5.250 4.956 4.829 5.123 . 0 0 "[ . 1 . 2]" 1
255 1 19 MET HG2 1 56 LEU MD2 . . 3.730 2.313 1.970 3.159 . 0 0 "[ . 1 . 2]" 1
256 1 19 MET HG3 1 20 ASP H . . 5.250 4.561 4.208 4.903 . 0 0 "[ . 1 . 2]" 1
257 1 19 MET HG3 1 56 LEU MD2 . . 3.730 2.449 1.952 3.113 . 0 0 "[ . 1 . 2]" 1
258 1 20 ASP H 1 20 ASP HB2 . . 3.600 2.415 2.202 2.821 . 0 0 "[ . 1 . 2]" 1
259 1 20 ASP H 1 20 ASP QB . . 3.060 2.224 2.147 2.267 . 0 0 "[ . 1 . 2]" 1
260 1 20 ASP H 1 20 ASP HB3 . . 3.600 2.713 2.367 3.506 . 0 0 "[ . 1 . 2]" 1
261 1 20 ASP H 1 21 GLU H . . 3.470 2.755 2.626 2.955 . 0 0 "[ . 1 . 2]" 1
262 1 20 ASP H 1 21 GLU QG . . 4.970 4.031 3.462 4.566 . 0 0 "[ . 1 . 2]" 1
263 1 20 ASP HA 1 23 THR H . . 3.900 3.668 3.437 3.887 . 0 0 "[ . 1 . 2]" 1
264 1 20 ASP HA 1 23 THR HB . . 3.700 3.076 2.520 3.391 . 0 0 "[ . 1 . 2]" 1
265 1 20 ASP HA 1 23 THR MG . . 5.090 4.353 3.892 4.597 . 0 0 "[ . 1 . 2]" 1
266 1 20 ASP QB 1 21 GLU H . . 3.350 2.385 2.001 2.638 . 0 0 "[ . 1 . 2]" 1
267 1 20 ASP QB 1 21 GLU HA . . 5.070 3.980 3.769 4.226 . 0 0 "[ . 1 . 2]" 1
268 1 20 ASP QB 1 21 GLU QB . . 5.340 4.268 3.766 4.622 . 0 0 "[ . 1 . 2]" 1
269 1 20 ASP QB 1 21 GLU QG . . 4.670 3.473 3.069 3.896 . 0 0 "[ . 1 . 2]" 1
270 1 20 ASP HB2 1 21 GLU H . . 3.890 3.621 2.531 3.883 . 0 0 "[ . 1 . 2]" 1
271 1 20 ASP HB3 1 21 GLU H . . 3.890 2.446 2.015 2.977 . 0 0 "[ . 1 . 2]" 1
272 1 21 GLU H 1 21 GLU QB . . 3.140 2.514 2.335 2.633 . 0 0 "[ . 1 . 2]" 1
273 1 21 GLU H 1 21 GLU QG . . 3.330 2.069 1.891 2.421 . 0 0 "[ . 1 . 2]" 1
274 1 21 GLU H 1 22 VAL H . . 3.350 2.803 2.634 3.035 . 0 0 "[ . 1 . 2]" 1
275 1 21 GLU H 1 22 VAL HB . . 5.500 4.954 4.731 5.147 . 0 0 "[ . 1 . 2]" 1
276 1 21 GLU H 1 52 LEU MD2 . . 5.500 4.870 4.307 5.241 . 0 0 "[ . 1 . 2]" 1
277 1 21 GLU HA 1 21 GLU QG . . 3.650 3.065 2.760 3.339 . 0 0 "[ . 1 . 2]" 1
278 1 21 GLU HA 1 23 THR H . . 4.950 4.473 4.147 4.927 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLU HA 1 25 GLN H . . 4.580 3.701 3.241 4.418 . 0 0 "[ . 1 . 2]" 1
280 1 21 GLU HA 1 52 LEU MD1 . . 5.420 4.364 3.665 5.188 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLU HA 1 52 LEU MD2 . . 5.110 4.637 3.967 5.113 0.003 11 0 "[ . 1 . 2]" 1
282 1 21 GLU QB 1 22 VAL H . . 3.890 2.747 2.210 3.476 . 0 0 "[ . 1 . 2]" 1
283 1 21 GLU QB 1 22 VAL HA . . 4.950 3.976 3.767 4.343 . 0 0 "[ . 1 . 2]" 1
284 1 21 GLU QB 1 22 VAL QG . . 4.710 3.485 3.090 4.130 . 0 0 "[ . 1 . 2]" 1
285 1 21 GLU QB 1 52 LEU MD2 . . 3.370 2.501 1.734 3.217 . 0 0 "[ . 1 . 2]" 1
286 1 21 GLU QG 1 22 VAL H . . 4.500 3.160 1.892 4.192 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLU QG 1 22 VAL QG . . 4.790 3.678 2.114 4.736 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLU QG 1 52 LEU HB3 . . 5.500 4.920 3.905 5.503 0.003 12 0 "[ . 1 . 2]" 1
289 1 21 GLU QG 1 52 LEU MD1 . . 4.090 3.835 3.324 4.091 0.001 15 0 "[ . 1 . 2]" 1
290 1 21 GLU QG 1 52 LEU MD2 . . 3.480 2.713 2.183 3.321 . 0 0 "[ . 1 . 2]" 1
291 1 22 VAL H 1 22 VAL HB . . 3.330 2.554 2.368 2.721 . 0 0 "[ . 1 . 2]" 1
292 1 22 VAL H 1 22 VAL MG1 . . 4.040 3.761 3.725 3.772 . 0 0 "[ . 1 . 2]" 1
293 1 22 VAL H 1 22 VAL QG . . 3.180 2.211 2.026 2.458 . 0 0 "[ . 1 . 2]" 1
294 1 22 VAL H 1 22 VAL MG2 . . 4.040 2.227 2.034 2.493 . 0 0 "[ . 1 . 2]" 1
295 1 22 VAL H 1 23 THR H . . 3.470 2.824 2.743 2.993 . 0 0 "[ . 1 . 2]" 1
296 1 22 VAL H 1 23 THR HB . . 5.500 5.000 4.792 5.168 . 0 0 "[ . 1 . 2]" 1
297 1 22 VAL H 1 52 LEU MD1 . . 4.860 4.113 3.554 4.673 . 0 0 "[ . 1 . 2]" 1
298 1 22 VAL H 1 52 LEU MD2 . . 5.280 3.803 3.302 4.477 . 0 0 "[ . 1 . 2]" 1
299 1 22 VAL HA 1 22 VAL QG . . 3.100 2.089 2.024 2.145 . 0 0 "[ . 1 . 2]" 1
300 1 22 VAL HA 1 25 GLN H . . 4.530 4.016 3.447 4.466 . 0 0 "[ . 1 . 2]" 1
301 1 22 VAL HA 1 25 GLN QB . . 3.990 2.936 2.484 3.141 . 0 0 "[ . 1 . 2]" 1
302 1 22 VAL HA 1 26 GLY H . . 4.870 4.149 3.546 4.801 . 0 0 "[ . 1 . 2]" 1
303 1 22 VAL HA 1 52 LEU HB2 . . 5.130 3.905 3.483 4.340 . 0 0 "[ . 1 . 2]" 1
304 1 22 VAL HA 1 52 LEU HB3 . . 4.870 3.147 2.319 3.896 . 0 0 "[ . 1 . 2]" 1
305 1 22 VAL HA 1 52 LEU MD1 . . 4.040 2.772 2.230 3.339 . 0 0 "[ . 1 . 2]" 1
306 1 22 VAL HA 1 52 LEU MD2 . . 5.020 3.738 2.626 4.815 . 0 0 "[ . 1 . 2]" 1
307 1 22 VAL HB 1 23 THR H . . 3.810 2.521 2.313 2.773 . 0 0 "[ . 1 . 2]" 1
308 1 22 VAL HB 1 24 LYS H . . 5.500 5.291 5.025 5.489 . 0 0 "[ . 1 . 2]" 1
309 1 22 VAL HB 1 56 LEU MD1 . . 4.990 4.821 3.640 4.994 0.004 15 0 "[ . 1 . 2]" 1
310 1 22 VAL QG 1 23 THR H . . 3.520 3.134 2.824 3.293 . 0 0 "[ . 1 . 2]" 1
311 1 22 VAL QG 1 23 THR HA . . 4.280 3.376 3.124 3.571 . 0 0 "[ . 1 . 2]" 1
312 1 22 VAL QG 1 26 GLY H . . 4.820 4.035 3.457 4.421 . 0 0 "[ . 1 . 2]" 1
313 1 22 VAL QG 1 52 LEU H . . 5.200 4.846 4.353 5.113 . 0 0 "[ . 1 . 2]" 1
314 1 22 VAL QG 1 52 LEU HB2 . . 3.470 3.315 3.094 3.462 . 0 0 "[ . 1 . 2]" 1
315 1 22 VAL QG 1 52 LEU HB3 . . 3.050 2.162 1.956 2.499 . 0 0 "[ . 1 . 2]" 1
316 1 22 VAL QG 1 52 LEU MD1 . . 3.460 3.188 2.643 3.445 . 0 0 "[ . 1 . 2]" 1
317 1 22 VAL QG 1 53 LYS H . . 4.380 4.012 3.504 4.376 . 0 0 "[ . 1 . 2]" 1
318 1 22 VAL QG 1 53 LYS HA . . 3.610 3.008 2.464 3.425 . 0 0 "[ . 1 . 2]" 1
319 1 22 VAL QG 1 53 LYS QG . . 4.400 3.276 2.649 4.032 . 0 0 "[ . 1 . 2]" 1
320 1 22 VAL MG1 1 23 THR H . . 4.120 3.336 2.902 3.574 . 0 0 "[ . 1 . 2]" 1
321 1 22 VAL MG1 1 53 LYS H . . 5.490 4.706 3.897 5.441 . 0 0 "[ . 1 . 2]" 1
322 1 22 VAL MG2 1 23 THR H . . 4.120 3.826 3.744 3.917 . 0 0 "[ . 1 . 2]" 1
323 1 22 VAL MG2 1 53 LYS H . . 5.490 4.417 3.787 5.017 . 0 0 "[ . 1 . 2]" 1
324 1 23 THR H 1 23 THR HB . . 3.150 2.513 2.401 2.600 . 0 0 "[ . 1 . 2]" 1
325 1 23 THR H 1 23 THR MG . . 3.970 3.764 3.739 3.771 . 0 0 "[ . 1 . 2]" 1
326 1 23 THR H 1 24 LYS H . . 3.330 2.868 2.726 3.060 . 0 0 "[ . 1 . 2]" 1
327 1 23 THR H 1 24 LYS HB3 . . 5.030 4.802 4.606 5.033 0.003 7 0 "[ . 1 . 2]" 1
328 1 23 THR H 1 25 GLN H . . 5.210 4.307 4.015 4.569 . 0 0 "[ . 1 . 2]" 1
329 1 23 THR HA 1 23 THR MG . . 3.170 2.446 2.302 2.536 . 0 0 "[ . 1 . 2]" 1
330 1 23 THR HA 1 24 LYS HA . . 5.210 4.821 4.753 4.883 . 0 0 "[ . 1 . 2]" 1
331 1 23 THR HA 1 26 GLY H . . 4.470 3.870 3.538 4.210 . 0 0 "[ . 1 . 2]" 1
332 1 23 THR HA 1 26 GLY HA3 . . 5.450 4.286 3.681 4.879 . 0 0 "[ . 1 . 2]" 1
333 1 23 THR HA 1 27 ASN H . . 5.080 4.612 3.845 4.927 . 0 0 "[ . 1 . 2]" 1
334 1 23 THR HB 1 24 LYS H . . 3.210 2.238 2.053 2.438 . 0 0 "[ . 1 . 2]" 1
335 1 23 THR HB 1 24 LYS HA . . 5.120 4.236 4.168 4.399 . 0 0 "[ . 1 . 2]" 1
336 1 23 THR HB 1 24 LYS HB3 . . 4.650 4.571 4.365 4.657 0.007 7 0 "[ . 1 . 2]" 1
337 1 23 THR HB 1 25 GLN H . . 5.500 4.969 4.776 5.179 . 0 0 "[ . 1 . 2]" 1
338 1 23 THR MG 1 24 LYS H . . 3.890 3.029 2.609 3.270 . 0 0 "[ . 1 . 2]" 1
339 1 23 THR MG 1 24 LYS HA . . 4.040 3.211 2.886 3.481 . 0 0 "[ . 1 . 2]" 1
340 1 23 THR MG 1 24 LYS HB3 . . 5.010 4.843 4.521 4.961 . 0 0 "[ . 1 . 2]" 1
341 1 23 THR MG 1 25 GLN H . . 5.500 4.973 4.684 5.248 . 0 0 "[ . 1 . 2]" 1
342 1 23 THR MG 1 26 GLY H . . 5.500 4.888 4.541 5.337 . 0 0 "[ . 1 . 2]" 1
343 1 23 THR MG 1 27 ASN H . . 4.990 4.288 3.741 4.651 . 0 0 "[ . 1 . 2]" 1
344 1 23 THR MG 1 27 ASN HB2 . . 5.500 4.710 4.076 5.210 . 0 0 "[ . 1 . 2]" 1
345 1 23 THR MG 1 27 ASN QB . . 4.720 4.317 3.178 4.708 . 0 0 "[ . 1 . 2]" 1
346 1 23 THR MG 1 27 ASN HB3 . . 5.500 5.218 3.243 5.500 . 0 0 "[ . 1 . 2]" 1
347 1 23 THR MG 1 27 ASN HD21 . . 3.820 3.192 2.547 3.785 . 0 0 "[ . 1 . 2]" 1
348 1 23 THR MG 1 27 ASN QD . . 3.340 2.363 1.869 2.801 . 0 0 "[ . 1 . 2]" 1
349 1 23 THR MG 1 27 ASN HD22 . . 3.820 2.568 1.879 3.828 0.008 7 0 "[ . 1 . 2]" 1
350 1 24 LYS H 1 24 LYS HB3 . . 2.840 2.436 2.293 2.599 . 0 0 "[ . 1 . 2]" 1
351 1 24 LYS H 1 24 LYS QD . . 4.680 4.456 4.166 4.618 . 0 0 "[ . 1 . 2]" 1
352 1 24 LYS H 1 24 LYS HG2 . . 4.760 4.421 4.264 4.611 . 0 0 "[ . 1 . 2]" 1
353 1 24 LYS H 1 24 LYS QG . . 4.050 3.961 3.905 4.026 . 0 0 "[ . 1 . 2]" 1
354 1 24 LYS H 1 24 LYS HG3 . . 4.760 4.478 4.411 4.555 . 0 0 "[ . 1 . 2]" 1
355 1 24 LYS H 1 25 GLN H . . 3.370 2.926 2.716 3.015 . 0 0 "[ . 1 . 2]" 1
356 1 24 LYS H 1 25 GLN HA . . 5.500 5.457 5.294 5.512 0.012 7 0 "[ . 1 . 2]" 1
357 1 24 LYS H 1 26 GLY H . . 5.220 4.532 4.005 5.016 . 0 0 "[ . 1 . 2]" 1
358 1 24 LYS HA 1 24 LYS HG2 . . 3.970 3.425 2.970 3.874 . 0 0 "[ . 1 . 2]" 1
359 1 24 LYS HA 1 24 LYS QG . . 3.440 2.571 2.412 2.825 . 0 0 "[ . 1 . 2]" 1
360 1 24 LYS HA 1 24 LYS HG3 . . 3.970 2.675 2.459 2.903 . 0 0 "[ . 1 . 2]" 1
361 1 24 LYS HA 1 27 ASN H . . 4.340 3.568 3.302 3.817 . 0 0 "[ . 1 . 2]" 1
362 1 24 LYS HA 1 27 ASN QB . . 3.790 3.074 2.324 3.799 0.009 7 0 "[ . 1 . 2]" 1
363 1 24 LYS HA 1 27 ASN HD21 . . 4.630 2.454 1.939 3.212 . 0 0 "[ . 1 . 2]" 1
364 1 24 LYS HA 1 27 ASN QD . . 3.820 2.356 1.878 3.126 . 0 0 "[ . 1 . 2]" 1
365 1 24 LYS HA 1 27 ASN HD22 . . 4.630 3.278 2.025 4.291 . 0 0 "[ . 1 . 2]" 1
366 1 24 LYS HA 1 28 ILE H . . 4.840 4.281 3.995 4.792 . 0 0 "[ . 1 . 2]" 1
367 1 24 LYS HB3 1 24 LYS QE . . 4.110 3.235 2.278 4.117 0.007 10 0 "[ . 1 . 2]" 1
368 1 24 LYS HB3 1 25 GLN H . . 3.290 2.417 2.089 2.723 . 0 0 "[ . 1 . 2]" 1
369 1 24 LYS QE 1 24 LYS QG . . 3.340 2.281 2.096 2.569 . 0 0 "[ . 1 . 2]" 1
370 1 24 LYS QE 1 25 GLN H . . 5.340 4.832 3.497 5.340 . 0 0 "[ . 1 . 2]" 1
371 1 24 LYS QE 1 28 ILE MD . . 3.780 2.984 1.958 3.769 . 0 0 "[ . 1 . 2]" 1
372 1 24 LYS QG 1 25 GLN H . . 4.910 3.121 2.674 3.476 . 0 0 "[ . 1 . 2]" 1
373 1 24 LYS QG 1 28 ILE MG . . 4.790 4.548 4.235 4.794 0.004 15 0 "[ . 1 . 2]" 1
374 1 24 LYS HG2 1 28 ILE MG . . 5.500 5.015 4.451 5.508 0.008 7 0 "[ . 1 . 2]" 1
375 1 24 LYS HG3 1 28 ILE MG . . 5.500 5.292 4.591 5.501 0.001 19 0 "[ . 1 . 2]" 1
376 1 25 GLN H 1 25 GLN HB2 . . 3.720 2.260 2.166 2.371 . 0 0 "[ . 1 . 2]" 1
377 1 25 GLN H 1 25 GLN QB . . 3.210 2.176 2.118 2.223 . 0 0 "[ . 1 . 2]" 1
378 1 25 GLN H 1 25 GLN HB3 . . 3.720 2.854 2.689 2.990 . 0 0 "[ . 1 . 2]" 1
379 1 25 GLN H 1 27 ASN H . . 5.040 4.356 4.037 4.702 . 0 0 "[ . 1 . 2]" 1
380 1 25 GLN H 1 28 ILE MD . . 4.790 3.751 3.363 4.163 . 0 0 "[ . 1 . 2]" 1
381 1 25 GLN H 1 49 LEU MD1 . . 4.840 4.535 4.055 4.839 . 0 0 "[ . 1 . 2]" 1
382 1 25 GLN H 1 52 LEU MD1 . . 5.330 4.045 3.629 4.588 . 0 0 "[ . 1 . 2]" 1
383 1 25 GLN HA 1 26 GLY HA2 . . 5.180 4.851 4.778 4.903 . 0 0 "[ . 1 . 2]" 1
384 1 25 GLN HA 1 28 ILE H . . 3.790 3.492 3.316 3.757 . 0 0 "[ . 1 . 2]" 1
385 1 25 GLN HA 1 28 ILE HB . . 3.390 2.784 2.383 3.145 . 0 0 "[ . 1 . 2]" 1
386 1 25 GLN HA 1 28 ILE MD . . 3.320 2.218 1.985 2.849 . 0 0 "[ . 1 . 2]" 1
387 1 25 GLN HA 1 28 ILE HG12 . . 4.890 4.602 4.317 4.886 . 0 0 "[ . 1 . 2]" 1
388 1 25 GLN HA 1 28 ILE QG . . 4.070 3.324 2.949 3.700 . 0 0 "[ . 1 . 2]" 1
389 1 25 GLN HA 1 28 ILE HG13 . . 4.890 3.412 3.001 3.831 . 0 0 "[ . 1 . 2]" 1
390 1 25 GLN HA 1 28 ILE MG . . 4.550 4.065 3.582 4.433 . 0 0 "[ . 1 . 2]" 1
391 1 25 GLN HA 1 29 VAL H . . 4.630 4.243 3.869 4.631 0.001 10 0 "[ . 1 . 2]" 1
392 1 25 GLN HA 1 29 VAL MG2 . . 4.990 4.003 3.398 4.355 . 0 0 "[ . 1 . 2]" 1
393 1 25 GLN HA 1 49 LEU MD1 . . 4.840 4.254 3.842 4.658 . 0 0 "[ . 1 . 2]" 1
394 1 25 GLN QB 1 26 GLY H . . 3.760 2.261 1.914 2.707 . 0 0 "[ . 1 . 2]" 1
395 1 25 GLN QB 1 49 LEU QB . . 4.600 3.650 3.046 3.999 . 0 0 "[ . 1 . 2]" 1
396 1 25 GLN QB 1 49 LEU MD1 . . 3.350 2.158 1.785 2.459 . 0 0 "[ . 1 . 2]" 1
397 1 25 GLN QB 1 52 LEU MD1 . . 3.980 2.284 1.973 2.777 . 0 0 "[ . 1 . 2]" 1
398 1 25 GLN HB2 1 26 GLY H . . 4.430 3.542 3.349 3.819 . 0 0 "[ . 1 . 2]" 1
399 1 25 GLN HB3 1 26 GLY H . . 4.430 2.290 1.925 2.786 . 0 0 "[ . 1 . 2]" 1
400 1 25 GLN QE 1 28 ILE HB . . 5.150 3.479 2.780 4.289 . 0 0 "[ . 1 . 2]" 1
401 1 25 GLN QE 1 28 ILE MD . . 4.670 3.317 2.435 4.044 . 0 0 "[ . 1 . 2]" 1
402 1 25 GLN QE 1 28 ILE MG . . 3.900 3.288 2.873 3.610 . 0 0 "[ . 1 . 2]" 1
403 1 25 GLN QE 1 29 VAL MG2 . . 3.650 2.548 1.799 3.183 . 0 0 "[ . 1 . 2]" 1
404 1 25 GLN QE 1 32 LEU MD1 . . 5.340 4.121 3.613 4.388 . 0 0 "[ . 1 . 2]" 1
405 1 25 GLN QE 1 45 GLU HA . . 3.790 2.693 1.953 3.431 . 0 0 "[ . 1 . 2]" 1
406 1 25 GLN QE 1 45 GLU HB2 . . 3.940 3.400 3.062 3.627 . 0 0 "[ . 1 . 2]" 1
407 1 25 GLN QE 1 45 GLU HB3 . . 4.060 1.947 1.767 2.127 . 0 0 "[ . 1 . 2]" 1
408 1 25 GLN QE 1 45 GLU HG2 . . 5.340 4.042 3.668 4.543 . 0 0 "[ . 1 . 2]" 1
409 1 25 GLN QE 1 48 LYS QB . . 4.210 3.599 2.693 4.219 0.009 20 0 "[ . 1 . 2]" 1
410 1 25 GLN QE 1 48 LYS QD . . 4.110 2.536 1.871 3.055 . 0 0 "[ . 1 . 2]" 1
411 1 25 GLN QE 1 48 LYS QE . . 5.340 3.670 1.954 4.564 . 0 0 "[ . 1 . 2]" 1
412 1 25 GLN QE 1 49 LEU H . . 3.860 3.587 3.228 3.860 . 0 0 "[ . 1 . 2]" 1
413 1 25 GLN QE 1 49 LEU QB . . 5.180 2.944 2.380 3.401 . 0 0 "[ . 1 . 2]" 1
414 1 25 GLN QE 1 49 LEU MD1 . . 5.130 3.941 3.411 4.635 . 0 0 "[ . 1 . 2]" 1
415 1 25 GLN QE 1 52 LEU MD1 . . 5.340 3.920 3.690 4.267 . 0 0 "[ . 1 . 2]" 1
416 1 25 GLN HE21 1 28 ILE MD . . 5.370 4.172 2.953 5.114 . 0 0 "[ . 1 . 2]" 1
417 1 25 GLN HE21 1 28 ILE MG . . 4.520 4.068 3.509 4.524 0.004 20 0 "[ . 1 . 2]" 1
418 1 25 GLN HE21 1 29 VAL MG2 . . 4.400 2.821 2.084 3.316 . 0 0 "[ . 1 . 2]" 1
419 1 25 GLN HE21 1 45 GLU HA . . 4.400 3.125 2.030 3.715 . 0 0 "[ . 1 . 2]" 1
420 1 25 GLN HE21 1 45 GLU HB2 . . 4.530 3.822 3.528 4.475 . 0 0 "[ . 1 . 2]" 1
421 1 25 GLN HE21 1 45 GLU HB3 . . 4.650 2.193 1.909 2.779 . 0 0 "[ . 1 . 2]" 1
422 1 25 GLN HE21 1 48 LYS QD . . 4.810 3.063 1.896 3.736 . 0 0 "[ . 1 . 2]" 1
423 1 25 GLN HE22 1 28 ILE MD . . 5.370 3.550 2.489 4.255 . 0 0 "[ . 1 . 2]" 1
424 1 25 GLN HE22 1 28 ILE MG . . 4.520 3.481 3.016 3.803 . 0 0 "[ . 1 . 2]" 1
425 1 25 GLN HE22 1 29 VAL MG2 . . 4.400 3.456 1.809 4.105 . 0 0 "[ . 1 . 2]" 1
426 1 25 GLN HE22 1 45 GLU HA . . 4.400 3.003 2.220 4.032 . 0 0 "[ . 1 . 2]" 1
427 1 25 GLN HE22 1 45 GLU HB2 . . 4.530 3.927 3.155 4.372 . 0 0 "[ . 1 . 2]" 1
428 1 25 GLN HE22 1 45 GLU HB3 . . 4.650 2.334 1.898 2.811 . 0 0 "[ . 1 . 2]" 1
429 1 25 GLN HE22 1 48 LYS QD . . 4.810 2.947 2.041 4.441 . 0 0 "[ . 1 . 2]" 1
430 1 25 GLN QG 1 48 LYS QD . . 4.960 2.733 1.946 3.385 . 0 0 "[ . 1 . 2]" 1
431 1 25 GLN QG 1 48 LYS QG . . 4.340 3.260 2.417 4.344 0.004 18 0 "[ . 1 . 2]" 1
432 1 25 GLN QG 1 49 LEU H . . 3.820 3.416 2.957 3.743 . 0 0 "[ . 1 . 2]" 1
433 1 25 GLN QG 1 49 LEU QB . . 3.700 2.148 1.925 2.611 . 0 0 "[ . 1 . 2]" 1
434 1 25 GLN QG 1 49 LEU MD1 . . 3.290 2.110 1.784 2.812 . 0 0 "[ . 1 . 2]" 1
435 1 25 GLN QG 1 49 LEU MD2 . . 4.490 3.434 2.890 4.197 . 0 0 "[ . 1 . 2]" 1
436 1 25 GLN QG 1 49 LEU HG . . 4.980 4.180 3.857 4.624 . 0 0 "[ . 1 . 2]" 1
437 1 25 GLN QG 1 52 LEU MD1 . . 3.670 1.967 1.805 2.307 . 0 0 "[ . 1 . 2]" 1
438 1 25 GLN HG2 1 49 LEU H . . 4.410 3.782 3.225 4.415 0.005 18 0 "[ . 1 . 2]" 1
439 1 25 GLN HG2 1 49 LEU MD1 . . 3.820 2.705 1.979 3.532 . 0 0 "[ . 1 . 2]" 1
440 1 25 GLN HG2 1 52 LEU MD1 . . 4.350 2.037 1.820 2.476 . 0 0 "[ . 1 . 2]" 1
441 1 25 GLN HG3 1 49 LEU H . . 4.410 3.970 3.288 4.413 0.003 20 0 "[ . 1 . 2]" 1
442 1 25 GLN HG3 1 49 LEU MD1 . . 3.820 2.275 1.879 3.088 . 0 0 "[ . 1 . 2]" 1
443 1 25 GLN HG3 1 52 LEU MD1 . . 4.350 3.157 1.991 3.739 . 0 0 "[ . 1 . 2]" 1
444 1 26 GLY H 1 27 ASN H . . 3.470 2.894 2.704 3.093 . 0 0 "[ . 1 . 2]" 1
445 1 26 GLY H 1 28 ILE H . . 4.630 4.329 3.918 4.593 . 0 0 "[ . 1 . 2]" 1
446 1 26 GLY H 1 49 LEU MD1 . . 3.790 2.967 2.683 3.399 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLY H 1 49 LEU MD2 . . 5.040 4.393 3.882 5.013 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLY HA2 1 29 VAL H . . 4.200 3.715 3.411 4.039 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLY HA2 1 29 VAL HB . . 3.940 3.175 2.838 3.526 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLY HA2 1 29 VAL MG2 . . 4.090 3.195 2.744 3.763 . 0 0 "[ . 1 . 2]" 1
451 1 26 GLY HA2 1 30 ARG H . . 5.040 4.411 3.964 4.729 . 0 0 "[ . 1 . 2]" 1
452 1 26 GLY HA2 1 49 LEU MD1 . . 3.760 2.730 2.086 3.433 . 0 0 "[ . 1 . 2]" 1
453 1 26 GLY HA2 1 49 LEU MD2 . . 3.780 2.797 2.406 3.132 . 0 0 "[ . 1 . 2]" 1
454 1 26 GLY HA3 1 29 VAL H . . 5.100 4.847 4.634 5.101 0.001 19 0 "[ . 1 . 2]" 1
455 1 26 GLY HA3 1 29 VAL HB . . 5.060 4.692 4.422 4.998 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLY HA3 1 49 LEU MD1 . . 3.970 3.418 2.712 3.973 0.003 18 0 "[ . 1 . 2]" 1
457 1 26 GLY HA3 1 49 LEU MD2 . . 4.350 3.982 3.164 4.342 . 0 0 "[ . 1 . 2]" 1
458 1 27 ASN H 1 27 ASN HB2 . . 3.610 2.638 2.229 3.577 . 0 0 "[ . 1 . 2]" 1
459 1 27 ASN H 1 27 ASN QB . . 3.060 2.461 2.206 2.727 . 0 0 "[ . 1 . 2]" 1
460 1 27 ASN H 1 27 ASN HB3 . . 3.610 3.450 2.257 3.607 . 0 0 "[ . 1 . 2]" 1
461 1 27 ASN H 1 27 ASN QD . . 4.480 3.163 1.927 3.760 . 0 0 "[ . 1 . 2]" 1
462 1 27 ASN H 1 28 ILE H . . 3.350 2.656 2.472 2.975 . 0 0 "[ . 1 . 2]" 1
463 1 27 ASN H 1 28 ILE MD . . 5.500 4.985 4.559 5.499 . 0 0 "[ . 1 . 2]" 1
464 1 27 ASN H 1 29 VAL HB . . 5.500 5.378 5.062 5.511 0.011 7 0 "[ . 1 . 2]" 1
465 1 27 ASN HA 1 29 VAL H . . 5.340 4.381 4.065 4.913 . 0 0 "[ . 1 . 2]" 1
466 1 27 ASN HA 1 30 ARG H . . 4.050 3.430 3.253 3.712 . 0 0 "[ . 1 . 2]" 1
467 1 27 ASN HA 1 30 ARG QB . . 3.580 2.754 2.452 3.428 . 0 0 "[ . 1 . 2]" 1
468 1 27 ASN HA 1 30 ARG QD . . 4.870 3.727 1.901 4.733 . 0 0 "[ . 1 . 2]" 1
469 1 27 ASN HA 1 30 ARG QG . . 4.870 4.294 2.081 4.761 . 0 0 "[ . 1 . 2]" 1
470 1 27 ASN HA 1 31 GLU H . . 4.440 4.094 3.699 4.446 0.006 19 0 "[ . 1 . 2]" 1
471 1 27 ASN QB 1 27 ASN QD . . 2.980 2.135 2.065 2.308 . 0 0 "[ . 1 . 2]" 1
472 1 27 ASN QB 1 28 ILE H . . 3.520 2.632 2.287 3.478 . 0 0 "[ . 1 . 2]" 1
473 1 27 ASN QB 1 30 ARG QB . . 5.060 4.185 3.757 5.060 0.000 9 0 "[ . 1 . 2]" 1
474 1 27 ASN HB2 1 28 ILE H . . 4.080 2.744 2.311 4.035 . 0 0 "[ . 1 . 2]" 1
475 1 27 ASN HB3 1 28 ILE H . . 4.080 3.658 3.362 4.081 0.001 9 0 "[ . 1 . 2]" 1
476 1 28 ILE H 1 28 ILE HB . . 3.100 2.537 2.346 2.645 . 0 0 "[ . 1 . 2]" 1
477 1 28 ILE H 1 28 ILE MD . . 4.380 3.431 3.126 3.847 . 0 0 "[ . 1 . 2]" 1
478 1 28 ILE H 1 28 ILE HG12 . . 3.800 3.496 3.266 3.800 . 0 0 "[ . 1 . 2]" 1
479 1 28 ILE H 1 28 ILE QG . . 3.170 2.108 1.890 2.502 . 0 0 "[ . 1 . 2]" 1
480 1 28 ILE H 1 28 ILE HG13 . . 3.800 2.127 1.902 2.539 . 0 0 "[ . 1 . 2]" 1
481 1 28 ILE H 1 28 ILE MG . . 3.910 3.760 3.713 3.772 . 0 0 "[ . 1 . 2]" 1
482 1 28 ILE H 1 29 VAL H . . 3.440 2.746 2.256 3.004 . 0 0 "[ . 1 . 2]" 1
483 1 28 ILE H 1 29 VAL HB . . 5.120 4.934 4.328 5.120 . 0 0 "[ . 1 . 2]" 1
484 1 28 ILE H 1 29 VAL MG2 . . 4.690 4.275 4.058 4.488 . 0 0 "[ . 1 . 2]" 1
485 1 28 ILE H 1 30 ARG QB . . 5.390 4.975 4.842 5.380 . 0 0 "[ . 1 . 2]" 1
486 1 28 ILE HA 1 28 ILE MD . . 4.100 3.849 3.719 3.887 . 0 0 "[ . 1 . 2]" 1
487 1 28 ILE HA 1 28 ILE HG12 . . 3.700 2.609 2.317 2.793 . 0 0 "[ . 1 . 2]" 1
488 1 28 ILE HA 1 28 ILE HG13 . . 3.700 2.857 2.683 2.961 . 0 0 "[ . 1 . 2]" 1
489 1 28 ILE HA 1 28 ILE MG . . 3.380 2.406 2.323 2.509 . 0 0 "[ . 1 . 2]" 1
490 1 28 ILE HA 1 29 VAL HA . . 5.210 4.776 4.712 4.872 . 0 0 "[ . 1 . 2]" 1
491 1 28 ILE HA 1 30 ARG H . . 5.420 4.460 4.112 4.645 . 0 0 "[ . 1 . 2]" 1
492 1 28 ILE HA 1 31 GLU H . . 4.200 3.726 3.465 3.928 . 0 0 "[ . 1 . 2]" 1
493 1 28 ILE HA 1 31 GLU QB . . 4.130 3.820 2.784 4.129 . 0 0 "[ . 1 . 2]" 1
494 1 28 ILE HA 1 31 GLU HG2 . . 5.160 2.399 2.002 4.146 . 0 0 "[ . 1 . 2]" 1
495 1 28 ILE HA 1 31 GLU HG3 . . 5.160 3.075 2.185 5.161 0.001 19 0 "[ . 1 . 2]" 1
496 1 28 ILE HA 1 32 LEU H . . 4.660 4.068 3.690 4.475 . 0 0 "[ . 1 . 2]" 1
497 1 28 ILE HA 1 32 LEU MD1 . . 5.130 4.421 4.002 4.884 . 0 0 "[ . 1 . 2]" 1
498 1 28 ILE HA 1 32 LEU HG . . 5.150 4.108 3.557 4.556 . 0 0 "[ . 1 . 2]" 1
499 1 28 ILE HB 1 28 ILE MD . . 3.250 2.325 2.232 2.430 . 0 0 "[ . 1 . 2]" 1
500 1 28 ILE HB 1 29 VAL H . . 3.490 2.602 2.228 2.852 . 0 0 "[ . 1 . 2]" 1
501 1 28 ILE HB 1 29 VAL MG2 . . 4.540 3.233 3.105 3.431 . 0 0 "[ . 1 . 2]" 1
502 1 28 ILE MD 1 29 VAL H . . 4.710 4.471 4.185 4.722 0.012 7 0 "[ . 1 . 2]" 1
503 1 28 ILE QG 1 28 ILE MG . . 3.070 2.191 2.032 2.404 . 0 0 "[ . 1 . 2]" 1
504 1 28 ILE QG 1 29 VAL H . . 4.490 4.055 3.925 4.213 . 0 0 "[ . 1 . 2]" 1
505 1 28 ILE HG12 1 28 ILE MG . . 3.560 2.235 2.058 2.488 . 0 0 "[ . 1 . 2]" 1
506 1 28 ILE HG12 1 29 VAL H . . 5.310 5.030 4.837 5.145 . 0 0 "[ . 1 . 2]" 1
507 1 28 ILE HG13 1 28 ILE MG . . 3.560 3.176 3.137 3.199 . 0 0 "[ . 1 . 2]" 1
508 1 28 ILE HG13 1 29 VAL H . . 5.310 4.280 4.133 4.539 . 0 0 "[ . 1 . 2]" 1
509 1 28 ILE MG 1 29 VAL H . . 3.570 3.412 2.943 3.570 0.000 9 0 "[ . 1 . 2]" 1
510 1 28 ILE MG 1 29 VAL HA . . 4.110 3.493 3.245 3.635 . 0 0 "[ . 1 . 2]" 1
511 1 28 ILE MG 1 31 GLU H . . 5.070 4.826 4.355 5.071 0.001 10 0 "[ . 1 . 2]" 1
512 1 28 ILE MG 1 31 GLU QB . . 5.090 4.726 3.426 5.085 . 0 0 "[ . 1 . 2]" 1
513 1 28 ILE MG 1 32 LEU H . . 4.290 3.912 3.739 4.268 . 0 0 "[ . 1 . 2]" 1
514 1 28 ILE MG 1 32 LEU HA . . 5.240 4.855 4.559 5.238 . 0 0 "[ . 1 . 2]" 1
515 1 28 ILE MG 1 32 LEU QB . . 4.680 3.859 3.523 4.522 . 0 0 "[ . 1 . 2]" 1
516 1 28 ILE MG 1 32 LEU HG . . 3.350 2.495 2.123 2.939 . 0 0 "[ . 1 . 2]" 1
517 1 28 ILE MG 1 45 GLU HA . . 5.350 4.959 4.295 5.265 . 0 0 "[ . 1 . 2]" 1
518 1 28 ILE MG 1 45 GLU HB2 . . 4.330 3.998 3.418 4.331 0.001 15 0 "[ . 1 . 2]" 1
519 1 28 ILE MG 1 45 GLU HG2 . . 4.280 3.865 3.433 4.239 . 0 0 "[ . 1 . 2]" 1
520 1 28 ILE MG 1 45 GLU HG3 . . 3.580 2.375 1.948 2.714 . 0 0 "[ . 1 . 2]" 1
521 1 29 VAL H 1 29 VAL HB . . 3.140 2.495 2.348 2.609 . 0 0 "[ . 1 . 2]" 1
522 1 29 VAL H 1 29 VAL MG1 . . 3.940 3.757 3.713 3.773 . 0 0 "[ . 1 . 2]" 1
523 1 29 VAL H 1 29 VAL MG2 . . 3.150 2.241 1.984 2.531 . 0 0 "[ . 1 . 2]" 1
524 1 29 VAL H 1 32 LEU MD1 . . 5.100 4.021 3.802 4.348 . 0 0 "[ . 1 . 2]" 1
525 1 29 VAL H 1 49 LEU MD2 . . 5.200 4.681 4.177 5.192 . 0 0 "[ . 1 . 2]" 1
526 1 29 VAL HA 1 29 VAL MG1 . . 3.230 2.417 2.322 2.531 . 0 0 "[ . 1 . 2]" 1
527 1 29 VAL HA 1 29 VAL MG2 . . 3.190 2.336 2.196 2.424 . 0 0 "[ . 1 . 2]" 1
528 1 29 VAL HA 1 32 LEU H . . 4.070 3.567 3.353 3.763 . 0 0 "[ . 1 . 2]" 1
529 1 29 VAL HA 1 32 LEU HB2 . . 4.680 2.558 2.242 3.297 . 0 0 "[ . 1 . 2]" 1
530 1 29 VAL HA 1 32 LEU QB . . 4.050 2.530 2.225 3.231 . 0 0 "[ . 1 . 2]" 1
531 1 29 VAL HA 1 32 LEU HB3 . . 4.680 4.009 3.743 4.646 . 0 0 "[ . 1 . 2]" 1
532 1 29 VAL HA 1 32 LEU MD1 . . 3.780 2.301 2.004 2.566 . 0 0 "[ . 1 . 2]" 1
533 1 29 VAL HA 1 32 LEU HG . . 4.650 3.596 2.640 4.133 . 0 0 "[ . 1 . 2]" 1
534 1 29 VAL HA 1 33 LYS H . . 4.630 4.268 3.950 4.503 . 0 0 "[ . 1 . 2]" 1
535 1 29 VAL HA 1 45 GLU HB2 . . 5.350 3.873 3.500 4.173 . 0 0 "[ . 1 . 2]" 1
536 1 29 VAL HA 1 45 GLU HB3 . . 4.580 4.140 3.777 4.506 . 0 0 "[ . 1 . 2]" 1
537 1 29 VAL HA 1 45 GLU HG3 . . 5.500 4.284 3.855 4.546 . 0 0 "[ . 1 . 2]" 1
538 1 29 VAL HB 1 30 ARG H . . 3.520 2.645 2.445 3.025 . 0 0 "[ . 1 . 2]" 1
539 1 29 VAL HB 1 49 LEU MD2 . . 3.960 3.353 2.535 3.960 0.000 18 0 "[ . 1 . 2]" 1
540 1 29 VAL MG1 1 30 ARG H . . 4.010 3.413 3.153 3.543 . 0 0 "[ . 1 . 2]" 1
541 1 29 VAL MG1 1 30 ARG HA . . 3.550 3.407 3.125 3.550 0.000 6 0 "[ . 1 . 2]" 1
542 1 29 VAL MG1 1 30 ARG QB . . 5.040 4.242 4.072 4.380 . 0 0 "[ . 1 . 2]" 1
543 1 29 VAL MG1 1 33 LYS H . . 4.730 4.064 3.607 4.343 . 0 0 "[ . 1 . 2]" 1
544 1 29 VAL MG1 1 33 LYS HE2 . . 3.770 3.069 1.946 3.774 0.004 7 0 "[ . 1 . 2]" 1
545 1 29 VAL MG1 1 33 LYS QE . . 3.270 2.349 1.834 2.985 . 0 0 "[ . 1 . 2]" 1
546 1 29 VAL MG1 1 33 LYS HE3 . . 3.770 2.645 1.914 3.704 . 0 0 "[ . 1 . 2]" 1
547 1 29 VAL MG1 1 46 VAL H . . 5.500 4.321 4.020 5.089 . 0 0 "[ . 1 . 2]" 1
548 1 29 VAL MG1 1 46 VAL HA . . 4.070 3.591 3.168 4.031 . 0 0 "[ . 1 . 2]" 1
549 1 29 VAL MG1 1 49 LEU QB . . 5.340 4.304 3.843 4.941 . 0 0 "[ . 1 . 2]" 1
550 1 29 VAL MG2 1 30 ARG H . . 4.350 3.878 3.787 4.108 . 0 0 "[ . 1 . 2]" 1
551 1 29 VAL MG2 1 32 LEU H . . 5.400 5.243 5.080 5.363 . 0 0 "[ . 1 . 2]" 1
552 1 29 VAL MG2 1 45 GLU HA . . 4.660 4.291 3.884 4.610 . 0 0 "[ . 1 . 2]" 1
553 1 29 VAL MG2 1 45 GLU HB2 . . 3.330 2.744 2.141 3.234 . 0 0 "[ . 1 . 2]" 1
554 1 29 VAL MG2 1 45 GLU HB3 . . 4.040 2.463 1.942 2.811 . 0 0 "[ . 1 . 2]" 1
555 1 29 VAL MG2 1 45 GLU HG2 . . 5.500 4.583 4.150 4.980 . 0 0 "[ . 1 . 2]" 1
556 1 29 VAL MG2 1 45 GLU HG3 . . 4.930 3.769 3.192 4.193 . 0 0 "[ . 1 . 2]" 1
557 1 29 VAL MG2 1 46 VAL HA . . 3.410 2.884 2.397 3.297 . 0 0 "[ . 1 . 2]" 1
558 1 29 VAL MG2 1 49 LEU H . . 5.320 4.396 3.928 4.775 . 0 0 "[ . 1 . 2]" 1
559 1 29 VAL MG2 1 49 LEU QB . . 3.830 2.799 2.343 3.228 . 0 0 "[ . 1 . 2]" 1
560 1 30 ARG H 1 30 ARG QB . . 3.090 2.241 2.137 2.473 . 0 0 "[ . 1 . 2]" 1
561 1 30 ARG H 1 30 ARG QD . . 5.260 4.219 3.717 4.613 . 0 0 "[ . 1 . 2]" 1
562 1 30 ARG H 1 30 ARG HG2 . . 4.690 4.264 2.139 4.635 . 0 0 "[ . 1 . 2]" 1
563 1 30 ARG H 1 30 ARG QG . . 4.020 3.811 2.116 4.039 0.019 16 0 "[ . 1 . 2]" 1
564 1 30 ARG H 1 30 ARG HG3 . . 4.690 4.372 3.351 4.608 . 0 0 "[ . 1 . 2]" 1
565 1 30 ARG H 1 31 GLU H . . 3.370 2.751 2.641 2.835 . 0 0 "[ . 1 . 2]" 1
566 1 30 ARG H 1 31 GLU HA . . 5.400 5.336 5.242 5.405 0.005 19 0 "[ . 1 . 2]" 1
567 1 30 ARG H 1 32 LEU H . . 4.600 4.067 3.907 4.358 . 0 0 "[ . 1 . 2]" 1
568 1 30 ARG HA 1 30 ARG QD . . 4.890 3.740 2.428 4.538 . 0 0 "[ . 1 . 2]" 1
569 1 30 ARG HA 1 30 ARG HG2 . . 3.960 3.360 2.513 3.766 . 0 0 "[ . 1 . 2]" 1
570 1 30 ARG HA 1 30 ARG HG3 . . 3.960 2.728 2.420 3.763 . 0 0 "[ . 1 . 2]" 1
571 1 30 ARG HA 1 33 LYS H . . 4.150 3.848 3.559 4.001 . 0 0 "[ . 1 . 2]" 1
572 1 30 ARG HA 1 33 LYS QB . . 3.640 3.414 2.817 3.632 . 0 0 "[ . 1 . 2]" 1
573 1 30 ARG HA 1 33 LYS QD . . 4.170 3.528 2.739 4.171 0.001 10 0 "[ . 1 . 2]" 1
574 1 30 ARG HA 1 34 ALA H . . 4.720 4.481 4.168 4.697 . 0 0 "[ . 1 . 2]" 1
575 1 30 ARG QB 1 31 GLU H . . 3.250 2.493 2.273 3.251 0.001 9 0 "[ . 1 . 2]" 1
576 1 30 ARG QG 1 31 GLU H . . 4.140 3.385 1.785 4.012 . 0 0 "[ . 1 . 2]" 1
577 1 30 ARG QG 1 31 GLU HA . . 4.770 3.681 2.971 4.385 . 0 0 "[ . 1 . 2]" 1
578 1 30 ARG HG2 1 31 GLU H . . 4.710 3.667 1.900 4.705 . 0 0 "[ . 1 . 2]" 1
579 1 30 ARG HG3 1 31 GLU H . . 4.710 4.193 1.906 4.720 0.010 19 0 "[ . 1 . 2]" 1
580 1 31 GLU H 1 31 GLU QB . . 3.040 2.490 2.259 2.613 . 0 0 "[ . 1 . 2]" 1
581 1 31 GLU H 1 31 GLU HG2 . . 3.990 2.426 1.900 3.990 . 0 0 "[ . 1 . 2]" 1
582 1 31 GLU H 1 31 GLU QG . . 3.430 2.163 1.886 3.360 . 0 0 "[ . 1 . 2]" 1
583 1 31 GLU H 1 31 GLU HG3 . . 3.990 3.065 1.999 3.616 . 0 0 "[ . 1 . 2]" 1
584 1 31 GLU H 1 32 LEU HA . . 5.280 5.249 5.130 5.304 0.024 19 0 "[ . 1 . 2]" 1
585 1 31 GLU H 1 34 ALA MB . . 5.220 4.548 4.085 4.804 . 0 0 "[ . 1 . 2]" 1
586 1 31 GLU HA 1 31 GLU QG . . 3.720 3.252 2.279 3.440 . 0 0 "[ . 1 . 2]" 1
587 1 31 GLU HA 1 33 LYS H . . 4.850 4.533 4.201 4.851 0.001 16 0 "[ . 1 . 2]" 1
588 1 31 GLU HA 1 34 ALA MB . . 3.150 2.366 1.984 2.833 . 0 0 "[ . 1 . 2]" 1
589 1 31 GLU HA 1 35 GLN H . . 4.630 4.174 3.915 4.552 . 0 0 "[ . 1 . 2]" 1
590 1 31 GLU HA 1 35 GLN HE21 . . 5.220 4.110 3.223 4.899 . 0 0 "[ . 1 . 2]" 1
591 1 31 GLU HA 1 35 GLN QG . . 4.850 4.010 3.371 4.779 . 0 0 "[ . 1 . 2]" 1
592 1 31 GLU QB 1 32 LEU H . . 3.470 3.264 2.454 3.471 0.001 10 0 "[ . 1 . 2]" 1
593 1 31 GLU QB 1 32 LEU MD2 . . 5.250 4.883 3.119 5.254 0.004 10 0 "[ . 1 . 2]" 1
594 1 31 GLU QB 1 34 ALA H . . 5.150 4.769 4.560 4.915 . 0 0 "[ . 1 . 2]" 1
595 1 31 GLU QB 1 35 GLN HE21 . . 4.450 2.692 1.933 3.697 . 0 0 "[ . 1 . 2]" 1
596 1 31 GLU QB 1 35 GLN HE22 . . 4.890 3.522 2.459 4.784 . 0 0 "[ . 1 . 2]" 1
597 1 31 GLU QG 1 32 LEU H . . 4.520 2.317 1.894 4.529 0.009 19 0 "[ . 1 . 2]" 1
598 1 31 GLU QG 1 32 LEU MD2 . . 4.790 4.013 3.540 4.796 0.006 19 0 "[ . 1 . 2]" 1
599 1 31 GLU QG 1 34 ALA MB . . 5.340 4.746 4.259 5.035 . 0 0 "[ . 1 . 2]" 1
600 1 31 GLU QG 1 35 GLN HE21 . . 4.350 3.239 2.185 4.272 . 0 0 "[ . 1 . 2]" 1
601 1 31 GLU HG2 1 35 GLN HE21 . . 5.060 4.471 3.856 4.987 . 0 0 "[ . 1 . 2]" 1
602 1 31 GLU HG3 1 35 GLN HE21 . . 5.060 3.407 2.197 4.797 . 0 0 "[ . 1 . 2]" 1
603 1 32 LEU H 1 32 LEU HB2 . . 3.790 2.301 2.197 2.692 . 0 0 "[ . 1 . 2]" 1
604 1 32 LEU H 1 32 LEU QB . . 3.320 2.270 2.176 2.618 . 0 0 "[ . 1 . 2]" 1
605 1 32 LEU H 1 32 LEU HB3 . . 3.790 3.531 3.503 3.588 . 0 0 "[ . 1 . 2]" 1
606 1 32 LEU H 1 32 LEU MD1 . . 3.940 3.638 3.425 3.770 . 0 0 "[ . 1 . 2]" 1
607 1 32 LEU H 1 32 LEU MD2 . . 4.090 3.716 2.988 3.937 . 0 0 "[ . 1 . 2]" 1
608 1 32 LEU H 1 32 LEU HG . . 2.960 2.653 1.899 2.857 . 0 0 "[ . 1 . 2]" 1
609 1 32 LEU H 1 33 LYS H . . 3.380 2.892 2.649 3.023 . 0 0 "[ . 1 . 2]" 1
610 1 32 LEU H 1 33 LYS QG . . 4.990 4.639 4.226 4.962 . 0 0 "[ . 1 . 2]" 1
611 1 32 LEU H 1 34 ALA H . . 4.560 4.108 3.759 4.310 . 0 0 "[ . 1 . 2]" 1
612 1 32 LEU H 1 34 ALA MB . . 5.220 4.685 4.339 4.869 . 0 0 "[ . 1 . 2]" 1
613 1 32 LEU H 1 37 ALA MB . . 5.220 4.815 4.300 5.065 . 0 0 "[ . 1 . 2]" 1
614 1 32 LEU HA 1 32 LEU MD2 . . 3.050 2.047 1.972 2.325 . 0 0 "[ . 1 . 2]" 1
615 1 32 LEU HA 1 32 LEU HG . . 3.900 2.809 2.659 3.284 . 0 0 "[ . 1 . 2]" 1
616 1 32 LEU HA 1 35 GLN H . . 4.400 3.590 3.249 3.785 . 0 0 "[ . 1 . 2]" 1
617 1 32 LEU HA 1 35 GLN QG . . 4.190 3.327 1.986 4.188 . 0 0 "[ . 1 . 2]" 1
618 1 32 LEU HA 1 37 ALA HA . . 5.500 5.223 4.499 5.501 0.001 15 0 "[ . 1 . 2]" 1
619 1 32 LEU HA 1 37 ALA MB . . 3.640 2.653 1.988 2.889 . 0 0 "[ . 1 . 2]" 1
620 1 32 LEU QB 1 32 LEU MD1 . . 3.130 2.060 2.013 2.100 . 0 0 "[ . 1 . 2]" 1
621 1 32 LEU QB 1 32 LEU MD2 . . 3.170 2.262 2.164 2.302 . 0 0 "[ . 1 . 2]" 1
622 1 32 LEU QB 1 33 LYS H . . 3.940 2.437 2.148 2.652 . 0 0 "[ . 1 . 2]" 1
623 1 32 LEU QB 1 37 ALA MB . . 3.570 2.564 1.932 3.060 . 0 0 "[ . 1 . 2]" 1
624 1 32 LEU QB 1 42 VAL H . . 5.340 4.768 4.217 5.180 . 0 0 "[ . 1 . 2]" 1
625 1 32 LEU QB 1 42 VAL HA . . 3.910 3.347 2.491 3.748 . 0 0 "[ . 1 . 2]" 1
626 1 32 LEU QB 1 42 VAL MG1 . . 4.150 2.675 2.247 3.115 . 0 0 "[ . 1 . 2]" 1
627 1 32 LEU QB 1 42 VAL MG2 . . 3.480 1.970 1.666 2.147 . 0 0 "[ . 1 . 2]" 1
628 1 32 LEU HB2 1 42 VAL MG2 . . 4.000 3.241 1.978 3.502 . 0 0 "[ . 1 . 2]" 1
629 1 32 LEU HB3 1 42 VAL MG2 . . 4.000 1.992 1.772 2.170 . 0 0 "[ . 1 . 2]" 1
630 1 32 LEU MD1 1 33 LYS H . . 4.870 4.350 3.932 4.565 . 0 0 "[ . 1 . 2]" 1
631 1 32 LEU MD1 1 42 VAL H . . 5.500 4.266 3.689 4.819 . 0 0 "[ . 1 . 2]" 1
632 1 32 LEU MD1 1 42 VAL HA . . 3.980 2.146 1.838 2.454 . 0 0 "[ . 1 . 2]" 1
633 1 32 LEU MD1 1 45 GLU H . . 4.780 3.873 3.183 4.166 . 0 0 "[ . 1 . 2]" 1
634 1 32 LEU MD1 1 45 GLU HA . . 5.250 4.723 4.170 4.907 . 0 0 "[ . 1 . 2]" 1
635 1 32 LEU MD1 1 45 GLU HB3 . . 4.090 3.230 2.606 3.477 . 0 0 "[ . 1 . 2]" 1
636 1 32 LEU MD1 1 45 GLU HG2 . . 3.740 2.677 2.338 2.971 . 0 0 "[ . 1 . 2]" 1
637 1 32 LEU MD1 1 45 GLU HG3 . . 3.070 1.998 1.802 2.256 . 0 0 "[ . 1 . 2]" 1
638 1 32 LEU MD2 1 33 LYS H . . 5.300 4.567 4.473 4.689 . 0 0 "[ . 1 . 2]" 1
639 1 32 LEU MD2 1 35 GLN H . . 5.230 5.027 4.813 5.214 . 0 0 "[ . 1 . 2]" 1
640 1 32 LEU MD2 1 35 GLN QB . . 5.340 4.134 3.439 5.228 . 0 0 "[ . 1 . 2]" 1
641 1 32 LEU MD2 1 35 GLN HE21 . . 5.170 3.848 2.728 4.526 . 0 0 "[ . 1 . 2]" 1
642 1 32 LEU MD2 1 35 GLN HE22 . . 4.950 4.082 3.158 4.952 0.002 16 0 "[ . 1 . 2]" 1
643 1 32 LEU MD2 1 35 GLN QG . . 5.280 4.328 2.948 5.184 . 0 0 "[ . 1 . 2]" 1
644 1 32 LEU MD2 1 37 ALA H . . 5.280 4.299 4.118 4.576 . 0 0 "[ . 1 . 2]" 1
645 1 32 LEU MD2 1 37 ALA HA . . 4.600 4.292 3.830 4.596 . 0 0 "[ . 1 . 2]" 1
646 1 32 LEU MD2 1 37 ALA MB . . 2.910 2.083 1.802 2.241 . 0 0 "[ . 1 . 2]" 1
647 1 32 LEU MD2 1 42 VAL H . . 4.640 4.279 3.980 4.593 . 0 0 "[ . 1 . 2]" 1
648 1 32 LEU MD2 1 42 VAL HA . . 4.320 3.348 2.904 3.643 . 0 0 "[ . 1 . 2]" 1
649 1 32 LEU MD2 1 42 VAL HB . . 5.290 5.143 4.709 5.294 0.004 19 0 "[ . 1 . 2]" 1
650 1 32 LEU MD2 1 45 GLU HG2 . . 5.500 4.219 3.067 4.635 . 0 0 "[ . 1 . 2]" 1
651 1 32 LEU HG 1 45 GLU HG2 . . 5.500 5.325 4.713 5.511 0.011 7 0 "[ . 1 . 2]" 1
652 1 32 LEU HG 1 45 GLU HG3 . . 4.310 4.134 3.493 4.310 . 0 0 "[ . 1 . 2]" 1
653 1 33 LYS H 1 33 LYS QB . . 3.010 2.415 2.333 2.690 . 0 0 "[ . 1 . 2]" 1
654 1 33 LYS H 1 33 LYS QD . . 4.570 3.793 3.268 4.163 . 0 0 "[ . 1 . 2]" 1
655 1 33 LYS H 1 33 LYS HG2 . . 3.850 3.456 2.469 3.852 0.002 16 0 "[ . 1 . 2]" 1
656 1 33 LYS H 1 33 LYS QG . . 3.200 2.296 2.006 2.429 . 0 0 "[ . 1 . 2]" 1
657 1 33 LYS H 1 33 LYS HG3 . . 3.850 2.337 2.039 2.467 . 0 0 "[ . 1 . 2]" 1
658 1 33 LYS H 1 34 ALA H . . 3.250 2.647 2.481 2.832 . 0 0 "[ . 1 . 2]" 1
659 1 33 LYS H 1 42 VAL MG1 . . 5.210 3.893 3.492 4.214 . 0 0 "[ . 1 . 2]" 1
660 1 33 LYS H 1 42 VAL MG2 . . 5.310 3.871 3.404 4.279 . 0 0 "[ . 1 . 2]" 1
661 1 33 LYS HA 1 33 LYS QD . . 4.180 3.966 3.681 4.074 . 0 0 "[ . 1 . 2]" 1
662 1 33 LYS HA 1 33 LYS QE . . 4.920 4.668 4.235 4.891 . 0 0 "[ . 1 . 2]" 1
663 1 33 LYS HA 1 33 LYS HG2 . . 3.670 2.571 2.377 2.813 . 0 0 "[ . 1 . 2]" 1
664 1 33 LYS HA 1 33 LYS HG3 . . 3.670 3.032 2.594 3.614 . 0 0 "[ . 1 . 2]" 1
665 1 33 LYS HA 1 35 GLN H . . 5.060 4.097 3.590 4.386 . 0 0 "[ . 1 . 2]" 1
666 1 33 LYS HA 1 42 VAL MG1 . . 4.630 4.069 3.552 4.614 . 0 0 "[ . 1 . 2]" 1
667 1 33 LYS HA 1 42 VAL MG2 . . 4.120 3.338 3.012 4.120 0.000 19 0 "[ . 1 . 2]" 1
668 1 33 LYS QB 1 33 LYS QD . . 3.140 2.111 2.008 2.199 . 0 0 "[ . 1 . 2]" 1
669 1 33 LYS QB 1 33 LYS QE . . 4.520 3.508 2.320 3.669 . 0 0 "[ . 1 . 2]" 1
670 1 33 LYS QB 1 34 ALA H . . 3.310 2.638 2.425 3.101 . 0 0 "[ . 1 . 2]" 1
671 1 33 LYS QB 1 34 ALA HA . . 4.830 3.894 3.845 4.040 . 0 0 "[ . 1 . 2]" 1
672 1 33 LYS QB 1 35 GLN H . . 4.970 4.579 4.423 4.824 . 0 0 "[ . 1 . 2]" 1
673 1 33 LYS QE 1 33 LYS QG . . 3.270 2.180 2.072 2.328 . 0 0 "[ . 1 . 2]" 1
674 1 33 LYS QE 1 46 VAL QG . . 3.810 3.263 2.669 3.785 . 0 0 "[ . 1 . 2]" 1
675 1 33 LYS HE2 1 42 VAL MG1 . . 3.900 3.001 2.227 3.796 . 0 0 "[ . 1 . 2]" 1
676 1 33 LYS HE3 1 42 VAL MG1 . . 3.900 3.578 2.347 3.900 0.000 20 0 "[ . 1 . 2]" 1
677 1 33 LYS QG 1 34 ALA H . . 4.930 4.119 3.867 4.303 . 0 0 "[ . 1 . 2]" 1
678 1 33 LYS QG 1 42 VAL MG1 . . 3.500 2.547 2.189 3.140 . 0 0 "[ . 1 . 2]" 1
679 1 34 ALA H 1 34 ALA MB . . 2.850 2.173 2.026 2.280 . 0 0 "[ . 1 . 2]" 1
680 1 34 ALA H 1 35 GLN H . . 3.270 2.594 2.212 2.749 . 0 0 "[ . 1 . 2]" 1
681 1 34 ALA H 1 35 GLN HA . . 5.360 5.229 4.911 5.352 . 0 0 "[ . 1 . 2]" 1
682 1 34 ALA H 1 35 GLN QG . . 4.810 4.166 3.766 4.510 . 0 0 "[ . 1 . 2]" 1
683 1 34 ALA MB 1 35 GLN H . . 3.530 2.814 2.530 3.228 . 0 0 "[ . 1 . 2]" 1
684 1 34 ALA MB 1 35 GLN QB . . 4.610 4.082 3.678 4.404 . 0 0 "[ . 1 . 2]" 1
685 1 34 ALA MB 1 35 GLN HE21 . . 4.980 4.526 3.904 4.981 0.001 15 0 "[ . 1 . 2]" 1
686 1 34 ALA MB 1 35 GLN QG . . 4.240 3.383 2.862 4.181 . 0 0 "[ . 1 . 2]" 1
687 1 35 GLN H 1 35 GLN HB2 . . 3.910 2.887 2.402 3.747 . 0 0 "[ . 1 . 2]" 1
688 1 35 GLN H 1 35 GLN QB . . 3.400 2.516 2.370 2.794 . 0 0 "[ . 1 . 2]" 1
689 1 35 GLN H 1 35 GLN HB3 . . 3.910 3.335 2.642 3.737 . 0 0 "[ . 1 . 2]" 1
690 1 35 GLN H 1 35 GLN QG . . 3.590 2.412 1.916 3.006 . 0 0 "[ . 1 . 2]" 1
691 1 35 GLN H 1 36 LYS H . . 3.520 2.742 2.363 2.901 . 0 0 "[ . 1 . 2]" 1
692 1 35 GLN H 1 36 LYS HA . . 5.100 4.684 4.385 4.861 . 0 0 "[ . 1 . 2]" 1
693 1 35 GLN H 1 36 LYS QG . . 5.500 5.000 4.496 5.429 . 0 0 "[ . 1 . 2]" 1
694 1 35 GLN H 1 37 ALA MB . . 5.160 4.132 3.934 4.256 . 0 0 "[ . 1 . 2]" 1
695 1 35 GLN HA 1 35 GLN QG . . 3.530 2.722 2.263 3.339 . 0 0 "[ . 1 . 2]" 1
696 1 35 GLN HA 1 36 LYS QG . . 4.690 3.912 2.879 4.575 . 0 0 "[ . 1 . 2]" 1
697 1 35 GLN QB 1 37 ALA H . . 4.840 3.649 2.965 4.469 . 0 0 "[ . 1 . 2]" 1
698 1 35 GLN QB 1 37 ALA HA . . 5.340 4.358 3.916 4.975 . 0 0 "[ . 1 . 2]" 1
699 1 35 GLN QB 1 37 ALA MB . . 4.360 3.386 2.923 4.297 . 0 0 "[ . 1 . 2]" 1
700 1 35 GLN QG 1 36 LYS H . . 4.950 4.157 3.385 4.520 . 0 0 "[ . 1 . 2]" 1
701 1 35 GLN QG 1 37 ALA H . . 5.230 4.209 2.393 5.222 . 0 0 "[ . 1 . 2]" 1
702 1 35 GLN QG 1 37 ALA MB . . 4.760 3.867 2.118 4.763 0.003 16 0 "[ . 1 . 2]" 1
703 1 36 LYS H 1 36 LYS HD2 . . 5.340 4.634 2.332 5.367 0.027 15 0 "[ . 1 . 2]" 1
704 1 36 LYS H 1 36 LYS QD . . 4.610 4.047 2.311 4.606 . 0 0 "[ . 1 . 2]" 1
705 1 36 LYS H 1 36 LYS HD3 . . 5.340 4.673 3.442 5.342 0.002 5 0 "[ . 1 . 2]" 1
706 1 36 LYS H 1 36 LYS QG . . 3.610 2.728 2.447 3.278 . 0 0 "[ . 1 . 2]" 1
707 1 36 LYS H 1 37 ALA H . . 3.720 2.958 2.837 3.119 . 0 0 "[ . 1 . 2]" 1
708 1 36 LYS H 1 37 ALA MB . . 5.100 4.541 4.457 4.631 . 0 0 "[ . 1 . 2]" 1
709 1 36 LYS HA 1 36 LYS QD . . 4.590 3.739 2.045 4.430 . 0 0 "[ . 1 . 2]" 1
710 1 36 LYS HA 1 36 LYS QG . . 3.490 2.685 2.331 3.343 . 0 0 "[ . 1 . 2]" 1
711 1 36 LYS HA 1 37 ALA HA . . 5.300 4.725 4.669 4.846 . 0 0 "[ . 1 . 2]" 1
712 1 36 LYS QE 1 36 LYS QG . . 3.450 2.231 2.061 2.490 . 0 0 "[ . 1 . 2]" 1
713 1 37 ALA H 1 37 ALA MB . . 3.210 2.174 2.026 2.244 . 0 0 "[ . 1 . 2]" 1
714 1 37 ALA H 1 38 ASP H . . 4.990 4.630 4.597 4.648 . 0 0 "[ . 1 . 2]" 1
715 1 37 ALA H 1 42 VAL MG2 . . 4.500 3.742 3.179 4.057 . 0 0 "[ . 1 . 2]" 1
716 1 37 ALA HA 1 38 ASP H . . 3.040 2.371 2.228 2.503 . 0 0 "[ . 1 . 2]" 1
717 1 37 ALA HA 1 38 ASP HB2 . . 4.870 4.478 4.364 4.645 . 0 0 "[ . 1 . 2]" 1
718 1 37 ALA HA 1 38 ASP HB3 . . 5.500 5.112 4.811 5.305 . 0 0 "[ . 1 . 2]" 1
719 1 37 ALA HA 1 41 GLU QB . . 5.500 4.684 4.078 5.155 . 0 0 "[ . 1 . 2]" 1
720 1 37 ALA HA 1 42 VAL MG2 . . 4.520 4.264 3.970 4.522 0.002 20 0 "[ . 1 . 2]" 1
721 1 37 ALA MB 1 38 ASP H . . 3.250 2.506 2.257 2.798 . 0 0 "[ . 1 . 2]" 1
722 1 37 ALA MB 1 38 ASP HA . . 4.990 4.361 4.259 4.472 . 0 0 "[ . 1 . 2]" 1
723 1 37 ALA MB 1 38 ASP HB2 . . 4.770 4.456 4.237 4.726 . 0 0 "[ . 1 . 2]" 1
724 1 37 ALA MB 1 38 ASP HB3 . . 4.820 4.283 4.069 4.515 . 0 0 "[ . 1 . 2]" 1
725 1 37 ALA MB 1 41 GLU QB . . 3.690 2.970 2.461 3.363 . 0 0 "[ . 1 . 2]" 1
726 1 37 ALA MB 1 41 GLU QG . . 5.020 4.026 3.025 4.723 . 0 0 "[ . 1 . 2]" 1
727 1 37 ALA MB 1 42 VAL H . . 4.490 3.726 3.349 4.130 . 0 0 "[ . 1 . 2]" 1
728 1 37 ALA MB 1 42 VAL HA . . 4.880 4.097 3.346 4.478 . 0 0 "[ . 1 . 2]" 1
729 1 37 ALA MB 1 42 VAL MG2 . . 2.950 2.050 1.833 2.313 . 0 0 "[ . 1 . 2]" 1
730 1 38 ASP H 1 38 ASP HB2 . . 3.270 2.341 2.181 2.551 . 0 0 "[ . 1 . 2]" 1
731 1 38 ASP H 1 38 ASP HB3 . . 3.390 2.756 2.555 2.964 . 0 0 "[ . 1 . 2]" 1
732 1 38 ASP H 1 39 LYS H . . 4.920 4.562 4.480 4.613 . 0 0 "[ . 1 . 2]" 1
733 1 38 ASP H 1 41 GLU QB . . 4.300 3.024 2.486 3.403 . 0 0 "[ . 1 . 2]" 1
734 1 38 ASP H 1 42 VAL MG2 . . 4.860 3.911 3.577 4.358 . 0 0 "[ . 1 . 2]" 1
735 1 38 ASP HA 1 39 LYS H . . 3.020 2.166 2.138 2.205 . 0 0 "[ . 1 . 2]" 1
736 1 38 ASP HA 1 39 LYS HA . . 4.910 4.339 4.317 4.378 . 0 0 "[ . 1 . 2]" 1
737 1 38 ASP HA 1 39 LYS QB . . 4.730 4.292 4.053 4.512 . 0 0 "[ . 1 . 2]" 1
738 1 38 ASP HA 1 40 ASN H . . 5.150 4.197 3.707 4.559 . 0 0 "[ . 1 . 2]" 1
739 1 38 ASP HB2 1 39 LYS H . . 4.690 4.300 4.110 4.483 . 0 0 "[ . 1 . 2]" 1
740 1 38 ASP HB2 1 41 GLU H . . 4.670 4.052 3.801 4.349 . 0 0 "[ . 1 . 2]" 1
741 1 38 ASP HB2 1 41 GLU QB . . 4.170 3.569 2.765 4.051 . 0 0 "[ . 1 . 2]" 1
742 1 38 ASP HB2 1 41 GLU HG2 . . 4.800 4.042 3.062 4.787 . 0 0 "[ . 1 . 2]" 1
743 1 38 ASP HB2 1 41 GLU QG . . 4.160 3.240 2.769 4.159 . 0 0 "[ . 1 . 2]" 1
744 1 38 ASP HB2 1 41 GLU HG3 . . 4.800 3.489 2.902 4.795 . 0 0 "[ . 1 . 2]" 1
745 1 38 ASP HB3 1 39 LYS H . . 4.860 3.991 3.705 4.189 . 0 0 "[ . 1 . 2]" 1
746 1 38 ASP HB3 1 40 ASN QB . . 4.480 3.704 3.147 4.487 0.007 7 0 "[ . 1 . 2]" 1
747 1 38 ASP HB3 1 41 GLU H . . 3.940 2.343 2.046 2.685 . 0 0 "[ . 1 . 2]" 1
748 1 38 ASP HB3 1 41 GLU HA . . 5.500 4.361 3.885 4.627 . 0 0 "[ . 1 . 2]" 1
749 1 38 ASP HB3 1 41 GLU QB . . 3.700 2.340 1.837 2.880 . 0 0 "[ . 1 . 2]" 1
750 1 38 ASP HB3 1 41 GLU HG2 . . 4.490 2.878 2.003 4.161 . 0 0 "[ . 1 . 2]" 1
751 1 38 ASP HB3 1 41 GLU HG3 . . 4.490 2.668 2.004 4.338 . 0 0 "[ . 1 . 2]" 1
752 1 38 ASP HB3 1 42 VAL H . . 4.930 4.069 3.818 4.442 . 0 0 "[ . 1 . 2]" 1
753 1 39 LYS H 1 39 LYS QB . . 3.410 2.346 2.128 2.603 . 0 0 "[ . 1 . 2]" 1
754 1 39 LYS H 1 39 LYS QD . . 4.730 3.794 1.853 4.533 . 0 0 "[ . 1 . 2]" 1
755 1 39 LYS H 1 39 LYS QG . . 4.140 2.839 1.882 3.989 . 0 0 "[ . 1 . 2]" 1
756 1 39 LYS H 1 40 ASN H . . 4.350 2.955 2.769 3.257 . 0 0 "[ . 1 . 2]" 1
757 1 39 LYS H 1 42 VAL MG2 . . 5.500 4.332 4.049 4.698 . 0 0 "[ . 1 . 2]" 1
758 1 39 LYS HA 1 39 LYS QD . . 4.440 3.396 1.993 4.268 . 0 0 "[ . 1 . 2]" 1
759 1 39 LYS HA 1 39 LYS QG . . 4.020 2.541 2.167 3.436 . 0 0 "[ . 1 . 2]" 1
760 1 39 LYS HA 1 42 VAL H . . 3.900 3.673 3.513 3.785 . 0 0 "[ . 1 . 2]" 1
761 1 39 LYS HA 1 42 VAL HB . . 3.290 2.994 2.704 3.271 . 0 0 "[ . 1 . 2]" 1
762 1 39 LYS QB 1 39 LYS QD . . 3.340 2.145 2.027 2.351 . 0 0 "[ . 1 . 2]" 1
763 1 39 LYS QB 1 40 ASN H . . 4.510 2.560 1.938 3.560 . 0 0 "[ . 1 . 2]" 1
764 1 39 LYS QB 1 42 VAL H . . 5.500 5.041 4.804 5.207 . 0 0 "[ . 1 . 2]" 1
765 1 39 LYS QE 1 39 LYS QG . . 3.500 2.186 2.031 2.347 . 0 0 "[ . 1 . 2]" 1
766 1 39 LYS QG 1 40 ASN H . . 4.460 3.785 1.968 4.434 . 0 0 "[ . 1 . 2]" 1
767 1 40 ASN H 1 40 ASN HB2 . . 4.100 2.695 2.312 3.542 . 0 0 "[ . 1 . 2]" 1
768 1 40 ASN H 1 40 ASN QB . . 3.480 2.406 2.141 2.780 . 0 0 "[ . 1 . 2]" 1
769 1 40 ASN H 1 40 ASN HB3 . . 4.100 3.013 2.190 3.590 . 0 0 "[ . 1 . 2]" 1
770 1 40 ASN H 1 40 ASN QD . . 4.850 3.860 2.235 4.731 . 0 0 "[ . 1 . 2]" 1
771 1 40 ASN H 1 41 GLU H . . 3.640 2.772 2.494 3.066 . 0 0 "[ . 1 . 2]" 1
772 1 40 ASN H 1 41 GLU QB . . 5.070 4.611 4.366 4.948 . 0 0 "[ . 1 . 2]" 1
773 1 40 ASN H 1 42 VAL H . . 4.850 4.285 4.000 4.568 . 0 0 "[ . 1 . 2]" 1
774 1 40 ASN HA 1 42 VAL H . . 4.990 4.543 3.997 4.890 . 0 0 "[ . 1 . 2]" 1
775 1 40 ASN HA 1 43 ALA H . . 3.990 3.642 3.305 3.870 . 0 0 "[ . 1 . 2]" 1
776 1 40 ASN HA 1 43 ALA MB . . 3.220 2.567 2.323 2.776 . 0 0 "[ . 1 . 2]" 1
777 1 40 ASN HA 1 44 ALA H . . 4.960 4.317 3.774 4.768 . 0 0 "[ . 1 . 2]" 1
778 1 40 ASN QB 1 41 GLU H . . 3.840 2.504 2.264 3.117 . 0 0 "[ . 1 . 2]" 1
779 1 40 ASN QB 1 41 GLU HA . . 5.340 4.007 3.750 4.475 . 0 0 "[ . 1 . 2]" 1
780 1 40 ASN QB 1 41 GLU QB . . 4.960 4.348 3.940 4.834 . 0 0 "[ . 1 . 2]" 1
781 1 40 ASN QB 1 43 ALA MB . . 4.470 4.205 3.889 4.454 . 0 0 "[ . 1 . 2]" 1
782 1 40 ASN HB2 1 41 GLU H . . 4.620 3.146 2.286 4.115 . 0 0 "[ . 1 . 2]" 1
783 1 40 ASN HB2 1 43 ALA MB . . 5.230 4.836 4.407 5.232 0.002 15 0 "[ . 1 . 2]" 1
784 1 40 ASN HB3 1 41 GLU H . . 4.620 3.144 2.301 3.973 . 0 0 "[ . 1 . 2]" 1
785 1 40 ASN HB3 1 43 ALA MB . . 5.230 4.713 4.110 5.228 . 0 0 "[ . 1 . 2]" 1
786 1 41 GLU H 1 41 GLU QB . . 3.190 2.330 2.125 2.536 . 0 0 "[ . 1 . 2]" 1
787 1 41 GLU H 1 41 GLU QG . . 4.030 2.561 2.010 4.031 0.001 3 0 "[ . 1 . 2]" 1
788 1 41 GLU H 1 42 VAL H . . 3.250 2.796 2.605 2.939 . 0 0 "[ . 1 . 2]" 1
789 1 41 GLU H 1 42 VAL HB . . 5.100 5.013 4.767 5.096 . 0 0 "[ . 1 . 2]" 1
790 1 41 GLU H 1 42 VAL MG2 . . 4.690 4.230 3.941 4.562 . 0 0 "[ . 1 . 2]" 1
791 1 41 GLU H 1 43 ALA MB . . 5.090 4.739 4.590 4.917 . 0 0 "[ . 1 . 2]" 1
792 1 41 GLU HA 1 41 GLU QG . . 3.590 2.623 2.224 3.174 . 0 0 "[ . 1 . 2]" 1
793 1 41 GLU HA 1 44 ALA H . . 4.340 3.909 3.648 4.117 . 0 0 "[ . 1 . 2]" 1
794 1 41 GLU QB 1 42 VAL H . . 3.280 2.495 2.284 2.861 . 0 0 "[ . 1 . 2]" 1
795 1 41 GLU QB 1 42 VAL HA . . 5.070 3.854 3.757 4.278 . 0 0 "[ . 1 . 2]" 1
796 1 41 GLU QB 1 42 VAL MG2 . . 3.930 3.124 2.896 3.271 . 0 0 "[ . 1 . 2]" 1
797 1 41 GLU QB 1 44 ALA H . . 5.500 5.174 4.891 5.478 . 0 0 "[ . 1 . 2]" 1
798 1 41 GLU QB 1 44 ALA MB . . 4.890 4.459 4.150 4.806 . 0 0 "[ . 1 . 2]" 1
799 1 41 GLU QG 1 42 VAL H . . 4.530 4.128 3.884 4.334 . 0 0 "[ . 1 . 2]" 1
800 1 42 VAL H 1 42 VAL HB . . 3.140 2.555 2.427 2.606 . 0 0 "[ . 1 . 2]" 1
801 1 42 VAL H 1 42 VAL MG2 . . 2.940 2.145 1.948 2.326 . 0 0 "[ . 1 . 2]" 1
802 1 42 VAL H 1 43 ALA MB . . 4.380 4.248 4.031 4.380 . 0 0 "[ . 1 . 2]" 1
803 1 42 VAL H 1 46 VAL QG . . 5.420 5.234 4.989 5.427 0.007 15 0 "[ . 1 . 2]" 1
804 1 42 VAL HA 1 42 VAL MG1 . . 3.450 2.396 2.296 2.469 . 0 0 "[ . 1 . 2]" 1
805 1 42 VAL HA 1 42 VAL MG2 . . 3.180 2.355 2.262 2.486 . 0 0 "[ . 1 . 2]" 1
806 1 42 VAL HA 1 45 GLU H . . 4.430 3.626 3.402 3.852 . 0 0 "[ . 1 . 2]" 1
807 1 42 VAL HA 1 45 GLU HB2 . . 4.220 3.376 3.018 3.821 . 0 0 "[ . 1 . 2]" 1
808 1 42 VAL HA 1 45 GLU HG2 . . 5.070 3.580 2.815 4.185 . 0 0 "[ . 1 . 2]" 1
809 1 42 VAL HA 1 45 GLU HG3 . . 5.500 4.128 3.628 4.656 . 0 0 "[ . 1 . 2]" 1
810 1 42 VAL HB 1 43 ALA H . . 3.310 2.407 2.144 2.692 . 0 0 "[ . 1 . 2]" 1
811 1 42 VAL HB 1 43 ALA HA . . 4.850 4.144 4.042 4.368 . 0 0 "[ . 1 . 2]" 1
812 1 42 VAL HB 1 46 VAL QG . . 5.060 3.818 3.492 4.191 . 0 0 "[ . 1 . 2]" 1
813 1 42 VAL MG1 1 43 ALA H . . 3.850 3.324 3.152 3.563 . 0 0 "[ . 1 . 2]" 1
814 1 42 VAL MG1 1 43 ALA HA . . 3.650 3.495 3.292 3.645 . 0 0 "[ . 1 . 2]" 1
815 1 42 VAL MG1 1 45 GLU H . . 4.620 4.382 4.050 4.605 . 0 0 "[ . 1 . 2]" 1
816 1 42 VAL MG1 1 45 GLU HG2 . . 5.500 4.822 4.195 5.327 . 0 0 "[ . 1 . 2]" 1
817 1 42 VAL MG1 1 46 VAL H . . 5.500 3.529 3.185 3.936 . 0 0 "[ . 1 . 2]" 1
818 1 43 ALA H 1 43 ALA MB . . 2.920 2.095 2.029 2.240 . 0 0 "[ . 1 . 2]" 1
819 1 43 ALA H 1 44 ALA H . . 3.650 2.979 2.838 3.195 . 0 0 "[ . 1 . 2]" 1
820 1 43 ALA H 1 45 GLU H . . 5.040 4.574 4.188 4.868 . 0 0 "[ . 1 . 2]" 1
821 1 43 ALA H 1 46 VAL QG . . 4.470 3.766 3.405 4.068 . 0 0 "[ . 1 . 2]" 1
822 1 43 ALA HA 1 45 GLU H . . 4.970 4.511 4.037 4.929 . 0 0 "[ . 1 . 2]" 1
823 1 43 ALA HA 1 46 VAL H . . 4.210 3.389 3.129 3.656 . 0 0 "[ . 1 . 2]" 1
824 1 43 ALA HA 1 46 VAL HA . . 5.500 5.093 4.794 5.405 . 0 0 "[ . 1 . 2]" 1
825 1 43 ALA HA 1 46 VAL HB . . 3.230 2.480 2.162 2.813 . 0 0 "[ . 1 . 2]" 1
826 1 43 ALA HA 1 46 VAL QG . . 3.730 2.387 1.941 2.884 . 0 0 "[ . 1 . 2]" 1
827 1 43 ALA MB 1 44 ALA H . . 3.410 2.506 2.280 2.683 . 0 0 "[ . 1 . 2]" 1
828 1 43 ALA MB 1 46 VAL H . . 5.100 4.542 4.365 4.700 . 0 0 "[ . 1 . 2]" 1
829 1 43 ALA MB 1 46 VAL HB . . 4.410 3.812 3.548 4.058 . 0 0 "[ . 1 . 2]" 1
830 1 44 ALA H 1 44 ALA MB . . 3.030 2.125 2.040 2.243 . 0 0 "[ . 1 . 2]" 1
831 1 44 ALA H 1 45 GLU H . . 3.570 2.998 2.864 3.180 . 0 0 "[ . 1 . 2]" 1
832 1 44 ALA H 1 46 VAL HB . . 5.500 5.117 4.912 5.480 . 0 0 "[ . 1 . 2]" 1
833 1 44 ALA HA 1 47 ALA H . . 5.170 4.021 3.306 4.496 . 0 0 "[ . 1 . 2]" 1
834 1 44 ALA MB 1 45 GLU H . . 3.580 2.443 2.120 2.656 . 0 0 "[ . 1 . 2]" 1
835 1 44 ALA MB 1 45 GLU HA . . 4.590 3.720 3.641 3.829 . 0 0 "[ . 1 . 2]" 1
836 1 44 ALA MB 1 45 GLU HG2 . . 4.450 3.237 2.946 3.525 . 0 0 "[ . 1 . 2]" 1
837 1 44 ALA MB 1 45 GLU HG3 . . 5.280 4.721 4.459 4.937 . 0 0 "[ . 1 . 2]" 1
838 1 44 ALA MB 1 46 VAL H . . 5.500 4.479 4.190 4.810 . 0 0 "[ . 1 . 2]" 1
839 1 45 GLU H 1 45 GLU HB3 . . 3.620 3.594 3.585 3.620 0.000 14 0 "[ . 1 . 2]" 1
840 1 45 GLU H 1 45 GLU HG2 . . 3.460 2.257 2.068 2.433 . 0 0 "[ . 1 . 2]" 1
841 1 45 GLU H 1 45 GLU HG3 . . 3.860 3.689 3.378 3.853 . 0 0 "[ . 1 . 2]" 1
842 1 45 GLU H 1 46 VAL H . . 3.610 2.665 2.509 2.835 . 0 0 "[ . 1 . 2]" 1
843 1 45 GLU H 1 46 VAL QG . . 4.480 3.950 3.793 4.114 . 0 0 "[ . 1 . 2]" 1
844 1 45 GLU H 1 47 ALA H . . 5.250 4.467 3.768 4.852 . 0 0 "[ . 1 . 2]" 1
845 1 45 GLU HA 1 46 VAL QG . . 5.440 4.810 4.656 4.881 . 0 0 "[ . 1 . 2]" 1
846 1 45 GLU HA 1 48 LYS H . . 4.010 3.677 3.367 3.913 . 0 0 "[ . 1 . 2]" 1
847 1 45 GLU HA 1 48 LYS QB . . 4.000 3.093 2.394 4.004 0.004 20 0 "[ . 1 . 2]" 1
848 1 45 GLU HA 1 48 LYS QE . . 5.170 4.181 1.996 5.169 . 0 0 "[ . 1 . 2]" 1
849 1 45 GLU HA 1 48 LYS QG . . 5.200 3.963 2.107 5.157 . 0 0 "[ . 1 . 2]" 1
850 1 45 GLU HA 1 49 LEU H . . 4.640 4.086 3.675 4.606 . 0 0 "[ . 1 . 2]" 1
851 1 45 GLU HB2 1 46 VAL QG . . 4.740 3.349 3.122 3.555 . 0 0 "[ . 1 . 2]" 1
852 1 45 GLU HB3 1 46 VAL H . . 4.670 3.594 3.275 3.946 . 0 0 "[ . 1 . 2]" 1
853 1 45 GLU HB3 1 46 VAL HA . . 4.870 4.419 4.271 4.638 . 0 0 "[ . 1 . 2]" 1
854 1 45 GLU HB3 1 48 LYS QD . . 4.700 4.394 3.925 4.702 0.002 15 0 "[ . 1 . 2]" 1
855 1 45 GLU HB3 1 49 LEU MD2 . . 5.500 5.097 4.495 5.449 . 0 0 "[ . 1 . 2]" 1
856 1 45 GLU HG2 1 46 VAL QG . . 5.440 5.028 4.639 5.235 . 0 0 "[ . 1 . 2]" 1
857 1 46 VAL H 1 46 VAL HB . . 3.500 2.607 2.525 2.718 . 0 0 "[ . 1 . 2]" 1
858 1 46 VAL H 1 46 VAL MG1 . . 4.270 3.768 3.758 3.781 . 0 0 "[ . 1 . 2]" 1
859 1 46 VAL H 1 46 VAL QG . . 3.270 2.086 1.919 2.219 . 0 0 "[ . 1 . 2]" 1
860 1 46 VAL H 1 46 VAL MG2 . . 4.270 2.096 1.925 2.235 . 0 0 "[ . 1 . 2]" 1
861 1 46 VAL H 1 47 ALA H . . 3.420 2.943 2.472 3.228 . 0 0 "[ . 1 . 2]" 1
862 1 46 VAL H 1 47 ALA MB . . 5.430 4.458 4.053 4.648 . 0 0 "[ . 1 . 2]" 1
863 1 46 VAL H 1 48 LYS H . . 5.240 4.445 4.041 4.702 . 0 0 "[ . 1 . 2]" 1
864 1 46 VAL HA 1 46 VAL MG1 . . 3.550 2.386 2.309 2.467 . 0 0 "[ . 1 . 2]" 1
865 1 46 VAL HA 1 46 VAL QG . . 3.060 2.098 2.052 2.180 . 0 0 "[ . 1 . 2]" 1
866 1 46 VAL HA 1 46 VAL MG2 . . 3.550 2.330 2.251 2.434 . 0 0 "[ . 1 . 2]" 1
867 1 46 VAL HA 1 47 ALA HA . . 5.030 4.843 4.784 4.927 . 0 0 "[ . 1 . 2]" 1
868 1 46 VAL HA 1 47 ALA MB . . 5.500 5.021 4.974 5.047 . 0 0 "[ . 1 . 2]" 1
869 1 46 VAL HA 1 49 LEU H . . 4.030 3.628 3.205 4.027 . 0 0 "[ . 1 . 2]" 1
870 1 46 VAL HA 1 49 LEU HB2 . . 4.040 3.547 3.051 4.037 . 0 0 "[ . 1 . 2]" 1
871 1 46 VAL HA 1 49 LEU QB . . 3.440 2.632 2.131 3.004 . 0 0 "[ . 1 . 2]" 1
872 1 46 VAL HA 1 49 LEU HB3 . . 4.040 2.722 2.171 3.148 . 0 0 "[ . 1 . 2]" 1
873 1 46 VAL HA 1 49 LEU MD2 . . 4.250 3.127 2.554 3.593 . 0 0 "[ . 1 . 2]" 1
874 1 46 VAL HA 1 49 LEU HG . . 5.500 4.986 4.493 5.427 . 0 0 "[ . 1 . 2]" 1
875 1 46 VAL HA 1 50 LEU H . . 4.770 4.147 3.632 4.716 . 0 0 "[ . 1 . 2]" 1
876 1 46 VAL HB 1 47 ALA H . . 3.640 2.327 2.059 2.976 . 0 0 "[ . 1 . 2]" 1
877 1 46 VAL HB 1 47 ALA MB . . 4.740 3.894 3.730 4.202 . 0 0 "[ . 1 . 2]" 1
878 1 46 VAL HB 1 48 LYS H . . 5.230 5.034 4.697 5.230 . 0 0 "[ . 1 . 2]" 1
879 1 46 VAL HB 1 50 LEU QD . . 5.220 4.211 3.612 5.126 . 0 0 "[ . 1 . 2]" 1
880 1 46 VAL QG 1 47 ALA H . . 3.450 3.017 2.746 3.444 . 0 0 "[ . 1 . 2]" 1
881 1 46 VAL QG 1 47 ALA HA . . 3.950 3.350 3.067 3.821 . 0 0 "[ . 1 . 2]" 1
882 1 46 VAL QG 1 49 LEU H . . 5.310 4.407 4.009 4.759 . 0 0 "[ . 1 . 2]" 1
883 1 46 VAL QG 1 49 LEU QB . . 4.510 3.406 2.907 3.756 . 0 0 "[ . 1 . 2]" 1
884 1 46 VAL QG 1 50 LEU H . . 4.580 3.827 3.240 4.414 . 0 0 "[ . 1 . 2]" 1
885 1 46 VAL MG1 1 47 ALA H . . 4.030 3.202 2.838 3.852 . 0 0 "[ . 1 . 2]" 1
886 1 46 VAL MG2 1 47 ALA H . . 4.030 3.721 3.622 3.880 . 0 0 "[ . 1 . 2]" 1
887 1 47 ALA H 1 47 ALA MB . . 2.800 2.146 2.025 2.255 . 0 0 "[ . 1 . 2]" 1
888 1 47 ALA H 1 48 LYS H . . 3.380 2.923 2.579 3.084 . 0 0 "[ . 1 . 2]" 1
889 1 47 ALA H 1 49 LEU H . . 4.870 4.344 3.814 4.771 . 0 0 "[ . 1 . 2]" 1
890 1 47 ALA H 1 50 LEU QD . . 4.890 4.081 3.511 4.884 . 0 0 "[ . 1 . 2]" 1
891 1 47 ALA HA 1 49 LEU H . . 5.410 4.636 4.178 5.136 . 0 0 "[ . 1 . 2]" 1
892 1 47 ALA HA 1 50 LEU H . . 4.230 3.809 3.436 4.198 . 0 0 "[ . 1 . 2]" 1
893 1 47 ALA HA 1 50 LEU HB2 . . 3.660 3.220 2.721 3.592 . 0 0 "[ . 1 . 2]" 1
894 1 47 ALA HA 1 50 LEU HB3 . . 5.090 4.742 4.242 5.080 . 0 0 "[ . 1 . 2]" 1
895 1 47 ALA HA 1 50 LEU QD . . 3.500 2.344 1.951 3.501 0.001 18 0 "[ . 1 . 2]" 1
896 1 47 ALA HA 1 50 LEU HG . . 4.150 3.668 3.112 4.099 . 0 0 "[ . 1 . 2]" 1
897 1 47 ALA MB 1 48 LYS H . . 3.420 2.430 2.117 2.722 . 0 0 "[ . 1 . 2]" 1
898 1 48 LYS H 1 48 LYS QB . . 3.070 2.303 2.226 2.517 . 0 0 "[ . 1 . 2]" 1
899 1 48 LYS H 1 48 LYS QD . . 4.820 4.347 3.804 4.561 . 0 0 "[ . 1 . 2]" 1
900 1 48 LYS H 1 48 LYS HG2 . . 4.840 3.866 2.311 4.472 . 0 0 "[ . 1 . 2]" 1
901 1 48 LYS H 1 48 LYS QG . . 4.140 3.483 2.100 4.028 . 0 0 "[ . 1 . 2]" 1
902 1 48 LYS H 1 48 LYS HG3 . . 4.840 4.067 2.127 4.616 . 0 0 "[ . 1 . 2]" 1
903 1 48 LYS H 1 49 LEU H . . 3.450 2.790 2.356 3.080 . 0 0 "[ . 1 . 2]" 1
904 1 48 LYS HA 1 48 LYS QD . . 4.600 4.143 3.595 4.327 . 0 0 "[ . 1 . 2]" 1
905 1 48 LYS HA 1 48 LYS QE . . 5.200 4.683 4.240 5.144 . 0 0 "[ . 1 . 2]" 1
906 1 48 LYS HA 1 48 LYS HG2 . . 4.010 3.218 2.549 4.215 0.205 20 0 "[ . 1 . 2]" 1
907 1 48 LYS HA 1 48 LYS HG3 . . 4.010 3.115 2.706 3.656 . 0 0 "[ . 1 . 2]" 1
908 1 48 LYS HA 1 51 ASP H . . 3.960 3.561 3.328 3.866 . 0 0 "[ . 1 . 2]" 1
909 1 48 LYS HA 1 51 ASP QB . . 3.290 2.975 2.555 3.265 . 0 0 "[ . 1 . 2]" 1
910 1 48 LYS HA 1 52 LEU H . . 4.550 4.374 4.076 4.543 . 0 0 "[ . 1 . 2]" 1
911 1 48 LYS HA 1 52 LEU MD1 . . 5.500 4.662 3.952 5.203 . 0 0 "[ . 1 . 2]" 1
912 1 48 LYS QB 1 48 LYS QD . . 3.310 2.129 2.046 2.296 . 0 0 "[ . 1 . 2]" 1
913 1 48 LYS QB 1 48 LYS QE . . 3.740 2.844 2.132 3.653 . 0 0 "[ . 1 . 2]" 1
914 1 48 LYS QB 1 49 LEU H . . 3.690 2.692 2.074 3.625 . 0 0 "[ . 1 . 2]" 1
915 1 48 LYS QB 1 49 LEU QB . . 5.180 4.196 3.758 4.840 . 0 0 "[ . 1 . 2]" 1
916 1 48 LYS QB 1 51 ASP QB . . 4.830 4.509 4.114 4.829 . 0 0 "[ . 1 . 2]" 1
917 1 48 LYS QD 1 49 LEU H . . 5.230 3.692 2.510 4.282 . 0 0 "[ . 1 . 2]" 1
918 1 48 LYS QD 1 49 LEU HA . . 4.470 4.053 2.415 4.469 . 0 0 "[ . 1 . 2]" 1
919 1 48 LYS QE 1 52 LEU MD1 . . 4.590 3.490 1.774 4.588 . 0 0 "[ . 1 . 2]" 1
920 1 48 LYS QG 1 49 LEU H . . 4.820 3.015 1.901 3.907 . 0 0 "[ . 1 . 2]" 1
921 1 48 LYS QG 1 49 LEU HA . . 4.800 3.413 2.941 4.201 . 0 0 "[ . 1 . 2]" 1
922 1 48 LYS QG 1 52 LEU MD1 . . 3.830 2.511 1.975 3.837 0.007 20 0 "[ . 1 . 2]" 1
923 1 48 LYS HG2 1 52 LEU MD1 . . 4.400 2.945 1.989 4.393 . 0 0 "[ . 1 . 2]" 1
924 1 48 LYS HG3 1 52 LEU MD1 . . 4.400 3.467 2.142 4.231 . 0 0 "[ . 1 . 2]" 1
925 1 49 LEU H 1 49 LEU HB2 . . 3.380 2.553 2.339 2.665 . 0 0 "[ . 1 . 2]" 1
926 1 49 LEU H 1 49 LEU HB3 . . 3.380 2.477 2.349 2.734 . 0 0 "[ . 1 . 2]" 1
927 1 49 LEU H 1 49 LEU MD1 . . 4.420 4.073 3.765 4.201 . 0 0 "[ . 1 . 2]" 1
928 1 49 LEU H 1 49 LEU MD2 . . 4.630 4.196 4.137 4.255 . 0 0 "[ . 1 . 2]" 1
929 1 49 LEU H 1 49 LEU HG . . 5.020 4.454 4.374 4.571 . 0 0 "[ . 1 . 2]" 1
930 1 49 LEU H 1 50 LEU H . . 3.450 2.887 2.519 3.140 . 0 0 "[ . 1 . 2]" 1
931 1 49 LEU H 1 52 LEU MD1 . . 5.230 3.876 3.330 4.268 . 0 0 "[ . 1 . 2]" 1
932 1 49 LEU HA 1 49 LEU MD1 . . 3.150 2.222 1.972 2.423 . 0 0 "[ . 1 . 2]" 1
933 1 49 LEU HA 1 49 LEU HG . . 3.830 3.140 2.923 3.318 . 0 0 "[ . 1 . 2]" 1
934 1 49 LEU HA 1 52 LEU HB2 . . 3.440 2.464 2.202 2.814 . 0 0 "[ . 1 . 2]" 1
935 1 49 LEU HA 1 52 LEU MD1 . . 3.370 2.257 1.942 2.517 . 0 0 "[ . 1 . 2]" 1
936 1 49 LEU HA 1 53 LYS QE . . 5.340 4.852 4.238 5.346 0.006 12 0 "[ . 1 . 2]" 1
937 1 49 LEU QB 1 49 LEU MD2 . . 3.210 2.062 1.998 2.098 . 0 0 "[ . 1 . 2]" 1
938 1 49 LEU QB 1 50 LEU H . . 3.590 2.398 1.952 2.675 . 0 0 "[ . 1 . 2]" 1
939 1 49 LEU QB 1 50 LEU QD . . 4.650 3.884 2.768 4.324 . 0 0 "[ . 1 . 2]" 1
940 1 49 LEU QB 1 50 LEU HG . . 5.340 3.591 3.186 5.207 . 0 0 "[ . 1 . 2]" 1
941 1 49 LEU HB2 1 50 LEU H . . 4.260 3.819 3.516 4.019 . 0 0 "[ . 1 . 2]" 1
942 1 49 LEU HB3 1 50 LEU H . . 4.260 2.424 1.962 2.718 . 0 0 "[ . 1 . 2]" 1
943 1 49 LEU MD1 1 52 LEU H . . 5.500 4.537 4.291 5.019 . 0 0 "[ . 1 . 2]" 1
944 1 49 LEU MD1 1 52 LEU HB2 . . 4.420 3.013 2.741 3.427 . 0 0 "[ . 1 . 2]" 1
945 1 49 LEU MD1 1 53 LYS H . . 5.170 4.246 3.657 4.952 . 0 0 "[ . 1 . 2]" 1
946 1 49 LEU MD1 1 53 LYS QE . . 3.720 3.063 2.027 3.633 . 0 0 "[ . 1 . 2]" 1
947 1 49 LEU MD1 1 53 LYS QG . . 4.570 3.256 2.571 4.510 . 0 0 "[ . 1 . 2]" 1
948 1 49 LEU MD2 1 50 LEU H . . 4.890 3.935 3.390 4.397 . 0 0 "[ . 1 . 2]" 1
949 1 49 LEU MD2 1 50 LEU HG . . 5.500 4.158 3.722 5.459 . 0 0 "[ . 1 . 2]" 1
950 1 49 LEU MD2 1 53 LYS QE . . 4.090 3.034 1.962 4.101 0.011 12 0 "[ . 1 . 2]" 1
951 1 49 LEU HG 1 50 LEU H . . 4.010 3.456 3.137 3.763 . 0 0 "[ . 1 . 2]" 1
952 1 49 LEU HG 1 50 LEU HA . . 5.130 3.497 3.211 3.757 . 0 0 "[ . 1 . 2]" 1
953 1 49 LEU HG 1 53 LYS QE . . 4.540 2.476 1.995 3.778 . 0 0 "[ . 1 . 2]" 1
954 1 50 LEU H 1 50 LEU HB2 . . 3.220 2.474 2.247 2.666 . 0 0 "[ . 1 . 2]" 1
955 1 50 LEU H 1 50 LEU HB3 . . 3.970 3.581 3.530 3.615 . 0 0 "[ . 1 . 2]" 1
956 1 50 LEU H 1 50 LEU MD1 . . 4.340 3.462 3.243 4.086 . 0 0 "[ . 1 . 2]" 1
957 1 50 LEU H 1 50 LEU QD . . 3.710 3.018 1.878 3.286 . 0 0 "[ . 1 . 2]" 1
958 1 50 LEU H 1 50 LEU MD2 . . 4.340 3.436 1.881 3.908 . 0 0 "[ . 1 . 2]" 1
959 1 50 LEU H 1 50 LEU HG . . 3.620 2.337 1.940 3.625 0.005 18 0 "[ . 1 . 2]" 1
960 1 50 LEU H 1 51 ASP H . . 3.560 2.839 2.690 3.050 . 0 0 "[ . 1 . 2]" 1
961 1 50 LEU H 1 51 ASP QB . . 4.870 4.769 4.560 4.874 0.004 15 0 "[ . 1 . 2]" 1
962 1 50 LEU HA 1 50 LEU MD1 . . 4.210 3.827 2.638 3.941 . 0 0 "[ . 1 . 2]" 1
963 1 50 LEU HA 1 50 LEU QD . . 3.010 2.201 1.968 2.439 . 0 0 "[ . 1 . 2]" 1
964 1 50 LEU HA 1 50 LEU MD2 . . 4.210 2.218 1.974 2.466 . 0 0 "[ . 1 . 2]" 1
965 1 50 LEU HA 1 53 LYS QE . . 5.340 3.089 1.831 5.125 . 0 0 "[ . 1 . 2]" 1
966 1 50 LEU HB2 1 51 ASP H . . 3.570 2.671 2.215 3.083 . 0 0 "[ . 1 . 2]" 1
967 1 50 LEU HB2 1 51 ASP QB . . 5.070 4.479 3.914 4.794 . 0 0 "[ . 1 . 2]" 1
968 1 50 LEU HB3 1 50 LEU QD . . 3.100 2.064 1.987 2.115 . 0 0 "[ . 1 . 2]" 1
969 1 50 LEU HB3 1 51 ASP H . . 4.020 3.575 3.179 3.945 . 0 0 "[ . 1 . 2]" 1
970 1 50 LEU QD 1 53 LYS QE . . 5.280 3.309 2.073 5.231 . 0 0 "[ . 1 . 2]" 1
971 1 50 LEU MD1 1 51 ASP H . . 4.990 4.453 3.957 4.885 . 0 0 "[ . 1 . 2]" 1
972 1 50 LEU MD2 1 51 ASP H . . 4.990 4.710 4.131 4.900 . 0 0 "[ . 1 . 2]" 1
973 1 50 LEU HG 1 51 ASP H . . 5.460 4.487 4.227 4.977 . 0 0 "[ . 1 . 2]" 1
974 1 51 ASP H 1 51 ASP QB . . 2.980 2.334 2.141 2.598 . 0 0 "[ . 1 . 2]" 1
975 1 51 ASP H 1 52 LEU H . . 3.370 2.564 2.349 2.787 . 0 0 "[ . 1 . 2]" 1
976 1 51 ASP H 1 52 LEU HG . . 5.500 4.637 4.254 4.995 . 0 0 "[ . 1 . 2]" 1
977 1 51 ASP H 1 54 LYS QD . . 5.340 4.762 4.226 5.219 . 0 0 "[ . 1 . 2]" 1
978 1 51 ASP HA 1 54 LYS H . . 3.890 3.429 3.138 3.612 . 0 0 "[ . 1 . 2]" 1
979 1 51 ASP HA 1 54 LYS QB . . 3.810 3.495 3.141 3.669 . 0 0 "[ . 1 . 2]" 1
980 1 51 ASP HA 1 54 LYS QD . . 3.870 2.284 1.991 2.717 . 0 0 "[ . 1 . 2]" 1
981 1 51 ASP HA 1 54 LYS QE . . 5.020 3.889 1.987 4.692 . 0 0 "[ . 1 . 2]" 1
982 1 51 ASP HA 1 54 LYS QG . . 5.340 3.141 2.102 3.613 . 0 0 "[ . 1 . 2]" 1
983 1 51 ASP HA 1 55 GLN H . . 4.630 4.259 3.787 4.631 0.001 12 0 "[ . 1 . 2]" 1
984 1 51 ASP QB 1 52 LEU H . . 3.360 2.625 2.275 3.034 . 0 0 "[ . 1 . 2]" 1
985 1 51 ASP QB 1 52 LEU HA . . 4.550 3.942 3.783 4.382 . 0 0 "[ . 1 . 2]" 1
986 1 51 ASP QB 1 52 LEU HB2 . . 5.410 4.659 4.451 4.868 . 0 0 "[ . 1 . 2]" 1
987 1 51 ASP QB 1 52 LEU MD1 . . 5.070 4.702 4.270 4.880 . 0 0 "[ . 1 . 2]" 1
988 1 51 ASP QB 1 52 LEU MD2 . . 5.070 4.377 3.923 4.929 . 0 0 "[ . 1 . 2]" 1
989 1 51 ASP QB 1 52 LEU HG . . 3.950 3.680 3.438 3.933 . 0 0 "[ . 1 . 2]" 1
990 1 51 ASP QB 1 53 LYS H . . 5.240 4.614 4.281 4.888 . 0 0 "[ . 1 . 2]" 1
991 1 51 ASP QB 1 54 LYS H . . 5.150 4.754 4.436 5.050 . 0 0 "[ . 1 . 2]" 1
992 1 51 ASP QB 1 54 LYS QB . . 5.140 4.870 4.208 5.167 0.027 15 0 "[ . 1 . 2]" 1
993 1 51 ASP QB 1 55 GLN QE . . 4.450 3.330 2.429 4.123 . 0 0 "[ . 1 . 2]" 1
994 1 51 ASP QB 1 55 GLN QG . . 4.660 3.589 2.462 4.491 . 0 0 "[ . 1 . 2]" 1
995 1 52 LEU H 1 52 LEU HB2 . . 3.300 2.353 2.216 2.537 . 0 0 "[ . 1 . 2]" 1
996 1 52 LEU H 1 52 LEU HB3 . . 3.670 3.564 3.517 3.600 . 0 0 "[ . 1 . 2]" 1
997 1 52 LEU H 1 52 LEU MD1 . . 4.070 3.531 3.156 3.742 . 0 0 "[ . 1 . 2]" 1
998 1 52 LEU H 1 52 LEU MD2 . . 3.920 3.739 3.526 3.920 0.000 8 0 "[ . 1 . 2]" 1
999 1 52 LEU H 1 52 LEU HG . . 3.180 2.555 2.193 2.901 . 0 0 "[ . 1 . 2]" 1
1000 1 52 LEU H 1 53 LYS H . . 3.410 2.721 2.411 2.968 . 0 0 "[ . 1 . 2]" 1
1001 1 52 LEU H 1 53 LYS HA . . 5.500 5.296 5.006 5.490 . 0 0 "[ . 1 . 2]" 1
1002 1 52 LEU H 1 54 LYS H . . 4.550 4.273 3.891 4.464 . 0 0 "[ . 1 . 2]" 1
1003 1 52 LEU H 1 55 GLN QE . . 5.170 4.149 2.805 5.162 . 0 0 "[ . 1 . 2]" 1
1004 1 52 LEU HA 1 52 LEU MD2 . . 3.260 2.181 1.979 2.530 . 0 0 "[ . 1 . 2]" 1
1005 1 52 LEU HA 1 54 LYS H . . 4.260 4.200 4.070 4.273 0.013 15 0 "[ . 1 . 2]" 1
1006 1 52 LEU HA 1 55 GLN QB . . 3.350 2.406 2.062 2.747 . 0 0 "[ . 1 . 2]" 1
1007 1 52 LEU HA 1 55 GLN HE21 . . 4.670 2.848 1.899 4.435 . 0 0 "[ . 1 . 2]" 1
1008 1 52 LEU HA 1 55 GLN QE . . 4.000 2.718 1.870 3.706 . 0 0 "[ . 1 . 2]" 1
1009 1 52 LEU HA 1 55 GLN HE22 . . 4.670 3.922 2.804 4.671 0.001 15 0 "[ . 1 . 2]" 1
1010 1 52 LEU HA 1 55 GLN QG . . 4.040 3.644 2.678 4.032 . 0 0 "[ . 1 . 2]" 1
1011 1 52 LEU HA 1 56 LEU H . . 4.530 3.909 3.606 4.407 . 0 0 "[ . 1 . 2]" 1
1012 1 52 LEU HB2 1 52 LEU MD1 . . 3.310 2.190 2.054 2.330 . 0 0 "[ . 1 . 2]" 1
1013 1 52 LEU HB2 1 52 LEU MD2 . . 3.630 3.172 3.119 3.191 . 0 0 "[ . 1 . 2]" 1
1014 1 52 LEU HB2 1 53 LYS H . . 3.670 2.853 2.444 3.373 . 0 0 "[ . 1 . 2]" 1
1015 1 52 LEU HB3 1 52 LEU MD1 . . 3.660 2.470 2.370 2.611 . 0 0 "[ . 1 . 2]" 1
1016 1 52 LEU HB3 1 52 LEU MD2 . . 3.330 2.241 2.047 2.353 . 0 0 "[ . 1 . 2]" 1
1017 1 52 LEU HB3 1 53 LYS H . . 4.500 3.603 3.048 4.105 . 0 0 "[ . 1 . 2]" 1
1018 1 52 LEU MD1 1 53 LYS H . . 4.950 4.616 4.276 5.000 0.050 15 0 "[ . 1 . 2]" 1
1019 1 52 LEU MD2 1 53 LYS H . . 5.500 4.767 4.534 4.887 . 0 0 "[ . 1 . 2]" 1
1020 1 52 LEU MD2 1 55 GLN H . . 5.500 4.921 4.559 5.164 . 0 0 "[ . 1 . 2]" 1
1021 1 52 LEU MD2 1 55 GLN HE21 . . 4.170 2.987 2.014 3.808 . 0 0 "[ . 1 . 2]" 1
1022 1 52 LEU MD2 1 55 GLN QE . . 3.660 2.634 1.970 3.201 . 0 0 "[ . 1 . 2]" 1
1023 1 52 LEU MD2 1 55 GLN HE22 . . 4.170 3.069 2.221 3.750 . 0 0 "[ . 1 . 2]" 1
1024 1 52 LEU MD2 1 55 GLN QG . . 4.840 4.381 3.939 4.750 . 0 0 "[ . 1 . 2]" 1
1025 1 53 LYS H 1 53 LYS HB2 . . 3.930 2.400 2.178 2.817 . 0 0 "[ . 1 . 2]" 1
1026 1 53 LYS H 1 53 LYS QB . . 3.190 2.362 2.157 2.715 . 0 0 "[ . 1 . 2]" 1
1027 1 53 LYS H 1 53 LYS HB3 . . 3.930 3.563 3.484 3.666 . 0 0 "[ . 1 . 2]" 1
1028 1 53 LYS H 1 53 LYS QD . . 4.300 3.593 1.972 4.301 0.001 18 0 "[ . 1 . 2]" 1
1029 1 53 LYS H 1 53 LYS HG2 . . 4.350 3.441 1.888 4.275 . 0 0 "[ . 1 . 2]" 1
1030 1 53 LYS H 1 53 LYS QG . . 3.610 2.599 1.879 3.533 . 0 0 "[ . 1 . 2]" 1
1031 1 53 LYS H 1 53 LYS HG3 . . 4.350 2.897 2.180 3.778 . 0 0 "[ . 1 . 2]" 1
1032 1 53 LYS H 1 54 LYS H . . 3.290 2.642 2.192 2.982 . 0 0 "[ . 1 . 2]" 1
1033 1 53 LYS H 1 54 LYS QB . . 5.400 4.661 4.315 5.128 . 0 0 "[ . 1 . 2]" 1
1034 1 53 LYS H 1 54 LYS QD . . 5.340 5.156 4.758 5.368 0.028 15 0 "[ . 1 . 2]" 1
1035 1 53 LYS HA 1 53 LYS QD . . 4.150 3.450 2.000 4.015 . 0 0 "[ . 1 . 2]" 1
1036 1 53 LYS HA 1 53 LYS QE . . 4.850 4.411 3.001 4.848 . 0 0 "[ . 1 . 2]" 1
1037 1 53 LYS HA 1 53 LYS HG2 . . 3.980 2.787 2.306 3.540 . 0 0 "[ . 1 . 2]" 1
1038 1 53 LYS HA 1 53 LYS QG . . 3.340 2.415 2.150 3.214 . 0 0 "[ . 1 . 2]" 1
1039 1 53 LYS HA 1 53 LYS HG3 . . 3.980 2.981 2.171 3.867 . 0 0 "[ . 1 . 2]" 1
1040 1 53 LYS HA 1 55 GLN H . . 5.500 4.703 4.355 5.329 . 0 0 "[ . 1 . 2]" 1
1041 1 53 LYS HA 1 56 LEU H . . 4.010 3.899 3.778 4.010 . 0 0 "[ . 1 . 2]" 1
1042 1 53 LYS HA 1 56 LEU HB2 . . 4.070 3.727 3.478 3.992 . 0 0 "[ . 1 . 2]" 1
1043 1 53 LYS HA 1 56 LEU HB3 . . 3.990 3.493 3.071 3.850 . 0 0 "[ . 1 . 2]" 1
1044 1 53 LYS HA 1 57 ALA H . . 4.820 4.279 3.849 4.785 . 0 0 "[ . 1 . 2]" 1
1045 1 53 LYS QB 1 53 LYS QD . . 3.400 2.216 2.072 2.697 . 0 0 "[ . 1 . 2]" 1
1046 1 53 LYS QB 1 54 LYS H . . 3.570 2.689 2.540 2.906 . 0 0 "[ . 1 . 2]" 1
1047 1 53 LYS QE 1 53 LYS QG . . 3.230 2.236 2.069 2.554 . 0 0 "[ . 1 . 2]" 1
1048 1 54 LYS H 1 54 LYS QB . . 2.980 2.391 2.249 2.570 . 0 0 "[ . 1 . 2]" 1
1049 1 54 LYS H 1 54 LYS QD . . 5.340 3.484 3.198 4.065 . 0 0 "[ . 1 . 2]" 1
1050 1 54 LYS H 1 54 LYS QE . . 5.340 4.659 2.943 4.943 . 0 0 "[ . 1 . 2]" 1
1051 1 54 LYS H 1 54 LYS HG2 . . 4.250 2.854 2.259 3.602 . 0 0 "[ . 1 . 2]" 1
1052 1 54 LYS H 1 54 LYS HG3 . . 4.250 3.477 1.975 4.097 . 0 0 "[ . 1 . 2]" 1
1053 1 54 LYS H 1 55 GLN H . . 3.210 2.483 2.282 2.876 . 0 0 "[ . 1 . 2]" 1
1054 1 54 LYS H 1 55 GLN QB . . 4.910 4.315 4.091 4.628 . 0 0 "[ . 1 . 2]" 1
1055 1 54 LYS H 1 55 GLN QG . . 4.860 4.455 3.934 4.712 . 0 0 "[ . 1 . 2]" 1
1056 1 54 LYS HA 1 54 LYS QD . . 4.900 4.321 4.112 4.582 . 0 0 "[ . 1 . 2]" 1
1057 1 54 LYS HA 1 54 LYS QG . . 3.640 3.103 2.532 3.325 . 0 0 "[ . 1 . 2]" 1
1058 1 54 LYS HA 1 56 LEU H . . 4.930 4.227 3.699 4.700 . 0 0 "[ . 1 . 2]" 1
1059 1 54 LYS HA 1 57 ALA H . . 4.300 3.788 3.401 4.083 . 0 0 "[ . 1 . 2]" 1
1060 1 54 LYS HA 1 58 VAL H . . 4.600 3.807 3.058 4.459 . 0 0 "[ . 1 . 2]" 1
1061 1 54 LYS HA 1 58 VAL QG . . 4.360 3.482 2.440 4.366 0.006 10 0 "[ . 1 . 2]" 1
1062 1 54 LYS QB 1 54 LYS QE . . 4.190 2.808 1.887 3.676 . 0 0 "[ . 1 . 2]" 1
1063 1 54 LYS QB 1 55 GLN H . . 3.550 3.082 1.995 3.461 . 0 0 "[ . 1 . 2]" 1
1064 1 54 LYS QB 1 55 GLN QG . . 4.960 4.165 3.030 4.721 . 0 0 "[ . 1 . 2]" 1
1065 1 54 LYS QB 1 56 LEU H . . 5.500 4.919 4.114 5.391 . 0 0 "[ . 1 . 2]" 1
1066 1 54 LYS QB 1 58 VAL QG . . 5.310 3.244 2.228 3.955 . 0 0 "[ . 1 . 2]" 1
1067 1 54 LYS QD 1 55 GLN H . . 4.550 3.902 3.676 4.192 . 0 0 "[ . 1 . 2]" 1
1068 1 54 LYS HD2 1 55 GLN H . . 5.180 4.544 4.257 5.124 . 0 0 "[ . 1 . 2]" 1
1069 1 54 LYS HD3 1 55 GLN H . . 5.180 4.307 3.766 4.876 . 0 0 "[ . 1 . 2]" 1
1070 1 54 LYS QE 1 58 VAL QG . . 5.280 4.487 3.842 5.248 . 0 0 "[ . 1 . 2]" 1
1071 1 54 LYS QG 1 56 LEU H . . 5.130 4.554 4.183 5.130 0.000 20 0 "[ . 1 . 2]" 1
1072 1 54 LYS QG 1 58 VAL QG . . 3.660 3.278 2.772 3.657 . 0 0 "[ . 1 . 2]" 1
1073 1 54 LYS HG2 1 55 GLN H . . 4.990 2.712 1.899 4.842 . 0 0 "[ . 1 . 2]" 1
1074 1 54 LYS HG3 1 55 GLN H . . 4.990 3.404 2.778 4.109 . 0 0 "[ . 1 . 2]" 1
1075 1 55 GLN H 1 55 GLN QB . . 3.120 2.307 2.159 2.534 . 0 0 "[ . 1 . 2]" 1
1076 1 55 GLN H 1 55 GLN QE . . 4.880 3.953 3.244 4.595 . 0 0 "[ . 1 . 2]" 1
1077 1 55 GLN H 1 55 GLN HG2 . . 3.960 3.639 3.158 3.905 . 0 0 "[ . 1 . 2]" 1
1078 1 55 GLN H 1 55 GLN QG . . 3.170 2.532 2.059 2.875 . 0 0 "[ . 1 . 2]" 1
1079 1 55 GLN H 1 55 GLN HG3 . . 3.960 2.593 2.072 2.968 . 0 0 "[ . 1 . 2]" 1
1080 1 55 GLN H 1 56 LEU H . . 3.380 2.694 2.565 2.869 . 0 0 "[ . 1 . 2]" 1
1081 1 55 GLN HA 1 55 GLN HG2 . . 3.930 2.430 2.181 2.857 . 0 0 "[ . 1 . 2]" 1
1082 1 55 GLN HA 1 55 GLN QG . . 3.330 2.296 2.139 2.517 . 0 0 "[ . 1 . 2]" 1
1083 1 55 GLN HA 1 55 GLN HG3 . . 3.930 2.953 2.696 3.317 . 0 0 "[ . 1 . 2]" 1
1084 1 55 GLN HA 1 58 VAL H . . 4.800 4.085 3.631 4.531 . 0 0 "[ . 1 . 2]" 1
1085 1 55 GLN HA 1 58 VAL HB . . 3.640 3.070 2.718 3.643 0.003 10 0 "[ . 1 . 2]" 1
1086 1 55 GLN HA 1 58 VAL MG1 . . 4.520 4.106 2.192 4.434 . 0 0 "[ . 1 . 2]" 1
1087 1 55 GLN HA 1 58 VAL QG . . 3.550 3.066 2.186 3.550 . 0 0 "[ . 1 . 2]" 1
1088 1 55 GLN HA 1 58 VAL MG2 . . 4.520 3.285 2.611 4.396 . 0 0 "[ . 1 . 2]" 1
1089 1 55 GLN HA 1 59 ALA H . . 4.620 4.021 3.585 4.604 . 0 0 "[ . 1 . 2]" 1
1090 1 55 GLN HA 1 59 ALA MB . . 5.000 4.458 3.848 4.967 . 0 0 "[ . 1 . 2]" 1
1091 1 55 GLN QB 1 55 GLN QE . . 3.700 2.399 2.014 3.053 . 0 0 "[ . 1 . 2]" 1
1092 1 55 GLN QB 1 58 VAL QG . . 5.280 4.535 3.724 4.855 . 0 0 "[ . 1 . 2]" 1
1093 1 55 GLN HB2 1 56 LEU H . . 3.930 2.822 2.453 3.112 . 0 0 "[ . 1 . 2]" 1
1094 1 55 GLN HB3 1 56 LEU H . . 3.930 3.540 3.152 3.930 0.000 20 0 "[ . 1 . 2]" 1
1095 1 55 GLN QE 1 55 GLN QG . . 3.010 2.346 2.081 2.570 . 0 0 "[ . 1 . 2]" 1
1096 1 55 GLN QG 1 56 LEU H . . 4.590 4.272 4.031 4.378 . 0 0 "[ . 1 . 2]" 1
1097 1 55 GLN QG 1 58 VAL QG . . 4.850 4.129 3.571 4.572 . 0 0 "[ . 1 . 2]" 1
1098 1 55 GLN HG2 1 56 LEU H . . 5.310 5.057 4.853 5.310 0.000 20 0 "[ . 1 . 2]" 1
1099 1 55 GLN HG3 1 56 LEU H . . 5.310 4.615 4.245 4.815 . 0 0 "[ . 1 . 2]" 1
1100 1 56 LEU H 1 56 LEU HB2 . . 3.330 2.356 2.209 2.618 . 0 0 "[ . 1 . 2]" 1
1101 1 56 LEU H 1 56 LEU HB3 . . 3.350 2.711 2.566 2.853 . 0 0 "[ . 1 . 2]" 1
1102 1 56 LEU H 1 56 LEU MD1 . . 4.490 4.196 4.095 4.280 . 0 0 "[ . 1 . 2]" 1
1103 1 56 LEU H 1 56 LEU MD2 . . 4.470 3.885 3.643 4.168 . 0 0 "[ . 1 . 2]" 1
1104 1 56 LEU H 1 56 LEU HG . . 5.260 4.562 4.348 4.685 . 0 0 "[ . 1 . 2]" 1
1105 1 56 LEU H 1 57 ALA H . . 3.420 2.845 2.502 3.065 . 0 0 "[ . 1 . 2]" 1
1106 1 56 LEU H 1 57 ALA MB . . 4.660 4.296 4.079 4.477 . 0 0 "[ . 1 . 2]" 1
1107 1 56 LEU H 1 58 VAL H . . 4.730 4.255 3.792 4.695 . 0 0 "[ . 1 . 2]" 1
1108 1 56 LEU H 1 59 ALA MB . . 5.110 4.659 4.321 4.971 . 0 0 "[ . 1 . 2]" 1
1109 1 56 LEU HA 1 56 LEU MD1 . . 4.100 2.983 2.519 3.852 . 0 0 "[ . 1 . 2]" 1
1110 1 56 LEU HA 1 56 LEU MD2 . . 3.120 2.063 1.923 2.747 . 0 0 "[ . 1 . 2]" 1
1111 1 56 LEU HA 1 59 ALA H . . 4.300 3.784 3.501 4.009 . 0 0 "[ . 1 . 2]" 1
1112 1 56 LEU HA 1 59 ALA MB . . 3.950 2.809 2.557 3.076 . 0 0 "[ . 1 . 2]" 1
1113 1 56 LEU HB2 1 56 LEU MD1 . . 3.330 3.089 2.250 3.192 . 0 0 "[ . 1 . 2]" 1
1114 1 56 LEU HB2 1 57 ALA H . . 3.730 3.459 3.310 3.654 . 0 0 "[ . 1 . 2]" 1
1115 1 56 LEU HB3 1 56 LEU MD1 . . 3.300 2.241 2.100 2.424 . 0 0 "[ . 1 . 2]" 1
1116 1 56 LEU HB3 1 57 ALA H . . 3.910 2.071 1.928 2.392 . 0 0 "[ . 1 . 2]" 1
1117 1 56 LEU HB3 1 57 ALA HA . . 4.880 3.964 3.829 4.104 . 0 0 "[ . 1 . 2]" 1
1118 1 56 LEU MD1 1 57 ALA H . . 4.530 2.970 2.504 3.965 . 0 0 "[ . 1 . 2]" 1
1119 1 56 LEU MD1 1 57 ALA HA . . 4.850 2.942 2.509 4.745 . 0 0 "[ . 1 . 2]" 1
1120 1 56 LEU MD1 1 60 GLU H . . 5.500 3.934 3.363 5.501 0.001 7 0 "[ . 1 . 2]" 1
1121 1 56 LEU MD2 1 57 ALA H . . 4.820 4.205 2.750 4.585 . 0 0 "[ . 1 . 2]" 1
1122 1 56 LEU MD2 1 57 ALA HA . . 5.500 4.735 2.624 5.417 . 0 0 "[ . 1 . 2]" 1
1123 1 56 LEU MD2 1 59 ALA MB . . 3.540 3.301 2.948 3.532 . 0 0 "[ . 1 . 2]" 1
1124 1 56 LEU MD2 1 60 GLU H . . 4.820 4.409 2.703 4.818 . 0 0 "[ . 1 . 2]" 1
1125 1 56 LEU MD2 1 60 GLU QG . . 3.850 3.415 1.950 3.846 . 0 0 "[ . 1 . 2]" 1
1126 1 56 LEU HG 1 57 ALA H . . 4.700 4.446 4.155 4.666 . 0 0 "[ . 1 . 2]" 1
1127 1 56 LEU HG 1 57 ALA HA . . 5.500 5.452 5.251 5.507 0.007 7 0 "[ . 1 . 2]" 1
1128 1 57 ALA H 1 57 ALA MB . . 2.890 2.105 2.023 2.233 . 0 0 "[ . 1 . 2]" 1
1129 1 57 ALA H 1 58 VAL QG . . 4.590 4.320 4.102 4.573 . 0 0 "[ . 1 . 2]" 1
1130 1 57 ALA H 1 59 ALA MB . . 5.090 4.851 4.648 5.085 . 0 0 "[ . 1 . 2]" 1
1131 1 57 ALA HA 1 59 ALA H . . 4.820 4.641 4.079 4.816 . 0 0 "[ . 1 . 2]" 1
1132 1 57 ALA HA 1 60 GLU H . . 4.020 3.698 3.209 3.997 . 0 0 "[ . 1 . 2]" 1
1133 1 57 ALA HA 1 60 GLU QB . . 3.600 3.007 2.574 3.476 . 0 0 "[ . 1 . 2]" 1
1134 1 57 ALA HA 1 60 GLU QG . . 4.400 4.002 3.437 4.397 . 0 0 "[ . 1 . 2]" 1
1135 1 57 ALA HA 1 61 GLY H . . 5.050 4.232 3.869 5.014 . 0 0 "[ . 1 . 2]" 1
1136 1 57 ALA HA 1 62 LYS H . . 4.690 3.981 3.409 4.610 . 0 0 "[ . 1 . 2]" 1
1137 1 57 ALA HA 1 62 LYS QB . . 4.880 3.366 2.341 4.777 . 0 0 "[ . 1 . 2]" 1
1138 1 57 ALA MB 1 58 VAL H . . 3.300 2.428 2.228 2.601 . 0 0 "[ . 1 . 2]" 1
1139 1 57 ALA MB 1 58 VAL HA . . 4.510 3.665 3.549 3.775 . 0 0 "[ . 1 . 2]" 1
1140 1 58 VAL H 1 58 VAL HB . . 3.020 2.592 2.212 2.699 . 0 0 "[ . 1 . 2]" 1
1141 1 58 VAL H 1 58 VAL MG1 . . 3.990 3.715 2.735 3.778 . 0 0 "[ . 1 . 2]" 1
1142 1 58 VAL H 1 58 VAL QG . . 2.950 2.106 1.880 2.658 . 0 0 "[ . 1 . 2]" 1
1143 1 58 VAL H 1 58 VAL MG2 . . 3.990 2.164 1.884 3.615 . 0 0 "[ . 1 . 2]" 1
1144 1 58 VAL H 1 60 GLU H . . 4.770 4.456 4.196 4.754 . 0 0 "[ . 1 . 2]" 1
1145 1 58 VAL HA 1 58 VAL MG1 . . 3.270 2.458 2.301 3.147 . 0 0 "[ . 1 . 2]" 1
1146 1 58 VAL HA 1 58 VAL QG . . 2.800 2.132 2.072 2.175 . 0 0 "[ . 1 . 2]" 1
1147 1 58 VAL HA 1 58 VAL MG2 . . 3.270 2.358 2.161 2.434 . 0 0 "[ . 1 . 2]" 1
1148 1 58 VAL HA 1 59 ALA HA . . 5.100 4.861 4.724 4.928 . 0 0 "[ . 1 . 2]" 1
1149 1 58 VAL HA 1 60 GLU H . . 5.290 4.563 4.162 5.054 . 0 0 "[ . 1 . 2]" 1
1150 1 58 VAL HA 1 61 GLY H . . 4.540 3.450 3.131 4.182 . 0 0 "[ . 1 . 2]" 1
1151 1 58 VAL HA 1 61 GLY QA . . 4.600 3.880 3.343 4.504 . 0 0 "[ . 1 . 2]" 1
1152 1 58 VAL HA 1 62 LYS H . . 4.450 4.119 3.576 4.449 . 0 0 "[ . 1 . 2]" 1
1153 1 58 VAL HB 1 59 ALA H . . 3.420 2.446 2.183 3.512 0.092 10 0 "[ . 1 . 2]" 1
1154 1 58 VAL QG 1 59 ALA H . . 3.620 3.019 1.803 3.318 . 0 0 "[ . 1 . 2]" 1
1155 1 58 VAL QG 1 59 ALA HA . . 4.020 3.359 2.642 3.666 . 0 0 "[ . 1 . 2]" 1
1156 1 58 VAL QG 1 61 GLY H . . 5.440 4.230 4.015 4.502 . 0 0 "[ . 1 . 2]" 1
1157 1 58 VAL MG1 1 59 ALA H . . 4.290 3.212 1.806 3.611 . 0 0 "[ . 1 . 2]" 1
1158 1 58 VAL MG2 1 59 ALA H . . 4.290 3.762 3.643 3.875 . 0 0 "[ . 1 . 2]" 1
1159 1 59 ALA H 1 59 ALA MB . . 2.980 2.146 2.054 2.248 . 0 0 "[ . 1 . 2]" 1
1160 1 59 ALA H 1 60 GLU H . . 3.460 2.918 2.525 3.103 . 0 0 "[ . 1 . 2]" 1
1161 1 59 ALA H 1 61 GLY H . . 4.490 4.189 3.915 4.430 . 0 0 "[ . 1 . 2]" 1
1162 1 59 ALA MB 1 60 GLU H . . 3.470 2.444 2.170 2.662 . 0 0 "[ . 1 . 2]" 1
1163 1 59 ALA MB 1 60 GLU QB . . 5.230 4.110 3.968 4.321 . 0 0 "[ . 1 . 2]" 1
1164 1 59 ALA MB 1 60 GLU HG2 . . 4.950 4.126 3.253 4.612 . 0 0 "[ . 1 . 2]" 1
1165 1 59 ALA MB 1 60 GLU QG . . 4.290 3.297 3.000 3.481 . 0 0 "[ . 1 . 2]" 1
1166 1 59 ALA MB 1 60 GLU HG3 . . 4.950 3.674 3.077 4.915 . 0 0 "[ . 1 . 2]" 1
1167 1 59 ALA MB 1 61 GLY H . . 5.270 4.417 4.145 4.624 . 0 0 "[ . 1 . 2]" 1
1168 1 60 GLU H 1 60 GLU HB2 . . 3.940 2.342 2.200 2.513 . 0 0 "[ . 1 . 2]" 1
1169 1 60 GLU H 1 60 GLU QB . . 3.100 2.311 2.178 2.468 . 0 0 "[ . 1 . 2]" 1
1170 1 60 GLU H 1 60 GLU HB3 . . 3.940 3.561 3.503 3.607 . 0 0 "[ . 1 . 2]" 1
1171 1 60 GLU H 1 60 GLU HG2 . . 4.190 3.448 2.677 3.827 . 0 0 "[ . 1 . 2]" 1
1172 1 60 GLU H 1 60 GLU QG . . 3.400 2.562 2.216 3.018 . 0 0 "[ . 1 . 2]" 1
1173 1 60 GLU H 1 60 GLU HG3 . . 4.190 2.808 2.239 3.870 . 0 0 "[ . 1 . 2]" 1
1174 1 60 GLU H 1 61 GLY H . . 3.470 2.661 2.454 2.903 . 0 0 "[ . 1 . 2]" 1
1175 1 60 GLU H 1 61 GLY QA . . 4.740 4.520 4.361 4.637 . 0 0 "[ . 1 . 2]" 1
1176 1 60 GLU H 1 62 LYS H . . 4.590 4.281 3.811 4.571 . 0 0 "[ . 1 . 2]" 1
1177 1 60 GLU HA 1 60 GLU HG2 . . 3.990 2.514 2.214 3.643 . 0 0 "[ . 1 . 2]" 1
1178 1 60 GLU HA 1 60 GLU QG . . 3.190 2.367 2.164 2.605 . 0 0 "[ . 1 . 2]" 1
1179 1 60 GLU HA 1 60 GLU HG3 . . 3.990 3.117 2.458 3.694 . 0 0 "[ . 1 . 2]" 1
1180 1 60 GLU HA 1 62 LYS H . . 5.110 4.975 4.778 5.111 0.001 7 0 "[ . 1 . 2]" 1
1181 1 60 GLU QB 1 61 GLY H . . 4.050 2.677 2.413 3.741 . 0 0 "[ . 1 . 2]" 1
1182 1 60 GLU QB 1 62 LYS H . . 4.010 3.009 2.701 3.605 . 0 0 "[ . 1 . 2]" 1
1183 1 60 GLU QB 1 62 LYS QB . . 4.570 3.579 3.094 3.897 . 0 0 "[ . 1 . 2]" 1
1184 1 60 GLU QB 1 62 LYS QG . . 4.360 3.307 2.296 4.259 . 0 0 "[ . 1 . 2]" 1
1185 1 60 GLU HB2 1 62 LYS H . . 4.600 3.184 2.776 3.818 . 0 0 "[ . 1 . 2]" 1
1186 1 60 GLU HB3 1 62 LYS H . . 4.600 3.760 3.428 4.429 . 0 0 "[ . 1 . 2]" 1
1187 1 61 GLY H 1 62 LYS H . . 3.360 2.227 1.852 3.037 . 0 0 "[ . 1 . 2]" 1
1188 1 61 GLY H 1 62 LYS QG . . 5.500 4.327 3.312 5.280 . 0 0 "[ . 1 . 2]" 1
1189 1 61 GLY QA 1 62 LYS H . . 3.290 2.801 2.657 2.918 . 0 0 "[ . 1 . 2]" 1
1190 1 61 GLY QA 1 62 LYS QG . . 5.090 4.328 3.929 5.076 . 0 0 "[ . 1 . 2]" 1
1191 1 62 LYS H 1 62 LYS HB2 . . 3.750 2.601 2.218 3.723 . 0 0 "[ . 1 . 2]" 1
1192 1 62 LYS H 1 62 LYS QB . . 3.040 2.425 2.196 2.889 . 0 0 "[ . 1 . 2]" 1
1193 1 62 LYS H 1 62 LYS HB3 . . 3.750 3.469 2.549 3.750 . 0 0 "[ . 1 . 2]" 1
1194 1 62 LYS H 1 62 LYS QD . . 5.490 3.687 2.064 4.468 . 0 0 "[ . 1 . 2]" 1
1195 1 62 LYS H 1 62 LYS QE . . 5.500 4.493 2.948 5.488 . 0 0 "[ . 1 . 2]" 1
1196 1 62 LYS H 1 62 LYS QG . . 3.630 2.696 1.904 3.536 . 0 0 "[ . 1 . 2]" 1
1197 1 62 LYS H 1 63 PRO QD . . 4.950 4.348 4.295 4.379 . 0 0 "[ . 1 . 2]" 1
1198 1 62 LYS HA 1 62 LYS QD . . 4.190 3.051 2.024 4.190 . 19 0 "[ . 1 . 2]" 1
1199 1 62 LYS HA 1 62 LYS QG . . 3.980 2.628 2.183 3.433 . 0 0 "[ . 1 . 2]" 1
1200 1 62 LYS HA 1 63 PRO HD2 . . 3.100 2.317 2.234 2.521 . 0 0 "[ . 1 . 2]" 1
1201 1 62 LYS HA 1 63 PRO QD . . 2.710 2.046 2.001 2.164 . 0 0 "[ . 1 . 2]" 1
1202 1 62 LYS HA 1 63 PRO HD3 . . 3.100 2.279 2.258 2.356 . 0 0 "[ . 1 . 2]" 1
1203 1 62 LYS HA 1 63 PRO QG . . 4.870 3.953 3.904 4.081 . 0 0 "[ . 1 . 2]" 1
1204 1 62 LYS QB 1 63 PRO QD . . 3.330 2.228 1.970 2.452 . 0 0 "[ . 1 . 2]" 1
1205 1 62 LYS QD 1 63 PRO QD . . 4.540 3.169 2.002 4.496 . 0 0 "[ . 1 . 2]" 1
1206 1 62 LYS QG 1 63 PRO HD2 . . 4.900 3.472 2.335 4.070 . 0 0 "[ . 1 . 2]" 1
1207 1 62 LYS QG 1 63 PRO QD . . 4.130 3.324 2.289 3.875 . 0 0 "[ . 1 . 2]" 1
1208 1 62 LYS QG 1 63 PRO HD3 . . 4.900 4.264 3.223 4.952 0.052 11 0 "[ . 1 . 2]" 1
1209 1 63 PRO HA 1 64 PRO HD2 . . 3.210 2.230 1.923 2.524 . 0 0 "[ . 1 . 2]" 1
1210 1 63 PRO HA 1 64 PRO HD3 . . 3.200 2.302 2.262 2.472 . 0 0 "[ . 1 . 2]" 1
1211 1 63 PRO HA 1 64 PRO QG . . 4.720 3.913 3.776 4.087 . 0 0 "[ . 1 . 2]" 1
1212 1 63 PRO QB 1 64 PRO HD2 . . 3.540 2.623 2.036 3.444 . 0 0 "[ . 1 . 2]" 1
1213 1 63 PRO HB2 1 64 PRO HD2 . . 4.050 2.821 2.100 3.868 . 0 0 "[ . 1 . 2]" 1
1214 1 63 PRO HB3 1 64 PRO HD2 . . 4.050 3.149 2.735 3.863 . 0 0 "[ . 1 . 2]" 1
1215 1 64 PRO HA 1 65 GLU H . . 2.980 2.565 2.180 2.739 . 0 0 "[ . 1 . 2]" 1
1216 1 64 PRO HA 1 65 GLU HA . . 5.460 4.353 4.320 4.438 . 0 0 "[ . 1 . 2]" 1
1217 1 64 PRO HB2 1 65 GLU H . . 4.250 2.412 1.873 3.968 . 0 0 "[ . 1 . 2]" 1
1218 1 64 PRO HB3 1 65 GLU H . . 4.250 3.413 3.137 4.314 0.064 14 0 "[ . 1 . 2]" 1
1219 1 64 PRO HD2 1 65 GLU H . . 5.460 5.352 5.249 5.442 . 0 0 "[ . 1 . 2]" 1
1220 1 64 PRO HD2 1 66 ALA HA . . 5.150 5.074 4.662 5.228 0.078 14 0 "[ . 1 . 2]" 1
1221 1 64 PRO HD2 1 66 ALA MB . . 4.130 3.883 3.063 4.137 0.007 9 0 "[ . 1 . 2]" 1
1222 1 64 PRO QG 1 66 ALA H . . 5.430 3.401 2.616 4.988 . 0 0 "[ . 1 . 2]" 1
1223 1 64 PRO QG 1 66 ALA HA . . 5.300 3.780 3.332 4.792 . 0 0 "[ . 1 . 2]" 1
1224 1 65 GLU H 1 65 GLU QB . . 3.640 2.502 2.173 3.196 . 0 0 "[ . 1 . 2]" 1
1225 1 65 GLU H 1 65 GLU QG . . 4.620 2.894 1.872 4.194 . 0 0 "[ . 1 . 2]" 1
1226 1 65 GLU HA 1 66 ALA MB . . 4.700 4.155 3.953 4.589 . 0 0 "[ . 1 . 2]" 1
1227 1 65 GLU HB2 1 66 ALA H . . 4.980 3.808 2.486 4.461 . 0 0 "[ . 1 . 2]" 1
1228 1 65 GLU HB3 1 66 ALA H . . 4.980 3.836 2.521 4.461 . 0 0 "[ . 1 . 2]" 1
1229 1 65 GLU QG 1 66 ALA H . . 5.500 4.254 1.886 4.990 . 0 0 "[ . 1 . 2]" 1
1230 1 66 ALA H 1 66 ALA MB . . 3.560 2.475 2.034 2.946 . 0 0 "[ . 1 . 2]" 1
1231 1 66 ALA H 1 67 PRO QG . . 5.500 4.345 3.897 5.616 0.116 16 0 "[ . 1 . 2]" 1
1232 1 66 ALA MB 1 67 PRO QD . . 4.260 2.813 1.737 3.544 . 0 0 "[ . 1 . 2]" 1
1233 1 67 PRO HA 1 68 LYS HA . . 5.500 4.601 4.304 5.368 . 0 0 "[ . 1 . 2]" 1
1234 1 67 PRO QB 1 68 LYS H . . 3.930 2.940 2.009 3.781 . 0 0 "[ . 1 . 2]" 1
1235 1 67 PRO HB2 1 68 LYS H . . 4.520 3.060 2.031 4.106 . 0 0 "[ . 1 . 2]" 1
1236 1 67 PRO HB3 1 68 LYS H . . 4.520 3.884 3.192 4.508 . 0 0 "[ . 1 . 2]" 1
1237 1 68 LYS HA 1 68 LYS QD . . 4.850 3.175 2.008 4.459 . 0 0 "[ . 1 . 2]" 1
1238 1 70 LYS H 1 70 LYS QG . . 4.930 3.181 1.954 4.317 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 11, 2024 7:52:16 PM GMT (wattos1)