NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403185 |
1wj7   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wj7
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 1251
_Distance_constraint_stats_list.Viol_count 1186
_Distance_constraint_stats_list.Viol_total 1332.119
_Distance_constraint_stats_list.Viol_max 0.894
_Distance_constraint_stats_list.Viol_rms 0.0258
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0562
_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 17 ARG 2.111 0.433 12 0 "[ . 1 . 2]"
1 18 PRO 2.157 0.433 12 0 "[ . 1 . 2]"
1 19 GLN 2.997 0.853 6 3 "[ .+ 1 - . *]"
1 20 ALA 0.024 0.012 7 0 "[ . 1 . 2]"
1 21 THR 0.023 0.012 7 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 4.773 0.853 6 3 "[ .+ 1 - . *]"
1 24 GLN 2.715 0.767 7 1 "[ . + 1 . 2]"
1 25 ILE 0.535 0.168 7 0 "[ . 1 . 2]"
1 26 ARG 6.145 0.459 13 0 "[ . 1 . 2]"
1 27 LEU 4.630 0.894 14 1 "[ . 1 +. 2]"
1 28 ALA 0.011 0.006 14 0 "[ . 1 . 2]"
1 29 GLN 7.496 0.459 13 0 "[ . 1 . 2]"
1 30 MET 2.788 0.894 14 1 "[ . 1 +. 2]"
1 31 ILE 1.901 0.403 2 0 "[ . 1 . 2]"
1 32 SER 0.344 0.233 13 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 7 0 "[ . 1 . 2]"
1 35 ASN 0.530 0.403 2 0 "[ . 1 . 2]"
1 36 ASP 1.014 0.399 15 0 "[ . 1 . 2]"
1 37 ALA 0.630 0.092 12 0 "[ . 1 . 2]"
1 38 ASP 0.517 0.032 10 0 "[ . 1 . 2]"
1 39 PHE 1.696 0.399 15 0 "[ . 1 . 2]"
1 40 GLU 4.172 0.335 6 0 "[ . 1 . 2]"
1 41 GLU 3.031 0.335 6 0 "[ . 1 . 2]"
1 42 LYS 0.298 0.056 15 0 "[ . 1 . 2]"
1 43 VAL 0.444 0.037 14 0 "[ . 1 . 2]"
1 44 LYS 0.002 0.002 15 0 "[ . 1 . 2]"
1 45 GLN 4.962 0.281 18 0 "[ . 1 . 2]"
1 46 LEU 0.355 0.046 15 0 "[ . 1 . 2]"
1 47 ILE 3.259 0.296 18 0 "[ . 1 . 2]"
1 48 ASP 0.396 0.046 15 0 "[ . 1 . 2]"
1 49 ILE 4.250 0.277 19 0 "[ . 1 . 2]"
1 50 THR 3.568 0.767 19 1 "[ . 1 . +2]"
1 51 GLY 0.963 0.149 18 0 "[ . 1 . 2]"
1 52 LYS 1.415 0.767 19 1 "[ . 1 . +2]"
1 53 ASN 0.011 0.002 7 0 "[ . 1 . 2]"
1 54 GLN 3.806 0.309 14 0 "[ . 1 . 2]"
1 55 ASP 0.753 0.111 1 0 "[ . 1 . 2]"
1 56 GLU 0.066 0.015 15 0 "[ . 1 . 2]"
1 57 CYS 0.033 0.007 12 0 "[ . 1 . 2]"
1 58 VAL 0.869 0.179 9 0 "[ . 1 . 2]"
1 59 ILE 0.866 0.767 7 1 "[ . + 1 . 2]"
1 60 ALA 0.310 0.232 17 0 "[ . 1 . 2]"
1 61 LEU 2.058 0.617 18 1 "[ . 1 . + 2]"
1 62 HIS 0.517 0.131 17 0 "[ . 1 . 2]"
1 63 ASP 0.553 0.232 17 0 "[ . 1 . 2]"
1 64 CYS 2.126 0.617 18 1 "[ . 1 . + 2]"
1 65 ASN 0.085 0.074 9 0 "[ . 1 . 2]"
1 66 GLY 0.194 0.042 9 0 "[ . 1 . 2]"
1 67 ASP 2.953 0.366 10 0 "[ . 1 . 2]"
1 68 VAL 1.761 0.452 17 0 "[ . 1 . 2]"
1 69 ASN 5.298 0.685 11 4 "[ -* . 1+ . * 2]"
1 70 ARG 7.192 0.685 11 4 "[ -* . 1+ . * 2]"
1 71 ALA 0.635 0.233 18 0 "[ . 1 . 2]"
1 72 ILE 0.513 0.039 15 0 "[ . 1 . 2]"
1 73 ASN 0.883 0.074 10 0 "[ . 1 . 2]"
1 74 VAL 0.936 0.074 10 0 "[ . 1 . 2]"
1 75 LEU 0.697 0.033 10 0 "[ . 1 . 2]"
1 76 LEU 0.053 0.011 6 0 "[ . 1 . 2]"
1 77 GLU 0.724 0.182 5 0 "[ . 1 . 2]"
1 78 GLY 0.150 0.082 3 0 "[ . 1 . 2]"
1 79 ASN 0.069 0.065 8 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASP 0.594 0.299 4 0 "[ . 1 . 2]"
1 82 THR 0.663 0.299 4 0 "[ . 1 . 2]"
1 83 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TRP 0.229 0.056 4 0 "[ . 1 . 2]"
1 86 GLU 0.396 0.158 12 0 "[ . 1 . 2]"
1 87 MET 0.942 0.593 10 1 "[ . + . 2]"
1 88 VAL 1.698 0.302 3 0 "[ . 1 . 2]"
1 89 GLY 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 17 ARG HA 1 17 ARG QG . . 3.980 2.303 1.979 3.330 . 0 0 "[ . 1 . 2]" 1
2 1 17 ARG HA 1 18 PRO HD2 . . 3.230 2.573 2.238 2.938 . 0 0 "[ . 1 . 2]" 1
3 1 17 ARG HA 1 18 PRO HD3 . . 3.130 2.026 1.950 2.155 . 0 0 "[ . 1 . 2]" 1
4 1 17 ARG HB2 1 17 ARG QG . . 2.630 2.403 2.179 2.570 . 0 0 "[ . 1 . 2]" 1
5 1 17 ARG HB2 1 18 PRO HD2 . . 4.350 4.042 2.059 4.783 0.433 12 0 "[ . 1 . 2]" 1
6 1 17 ARG HB2 1 18 PRO HD3 . . 4.950 4.456 3.031 4.889 . 0 0 "[ . 1 . 2]" 1
7 1 17 ARG HB3 1 17 ARG QD . . 3.850 2.597 1.987 3.334 . 0 0 "[ . 1 . 2]" 1
8 1 17 ARG HB3 1 18 PRO HD2 . . 5.250 3.202 2.172 4.274 . 0 0 "[ . 1 . 2]" 1
9 1 17 ARG HB3 1 18 PRO HD3 . . 4.770 3.995 3.255 4.695 . 0 0 "[ . 1 . 2]" 1
10 1 17 ARG QG 1 18 PRO HD2 . . 4.080 2.749 1.793 3.987 . 0 0 "[ . 1 . 2]" 1
11 1 17 ARG QG 1 18 PRO HD3 . . 5.040 3.269 2.487 4.321 . 0 0 "[ . 1 . 2]" 1
12 1 18 PRO HB2 1 19 GLN HA . . 4.270 4.133 3.973 4.270 . 0 0 "[ . 1 . 2]" 1
13 1 18 PRO QG 1 19 GLN H . . 4.890 4.235 2.172 4.937 0.047 5 0 "[ . 1 . 2]" 1
14 1 19 GLN HA 1 19 GLN QG . . 3.670 2.418 1.975 3.376 . 0 0 "[ . 1 . 2]" 1
15 1 19 GLN HA 1 23 GLU H . . 5.290 4.429 3.561 5.301 0.011 14 0 "[ . 1 . 2]" 1
16 1 19 GLN HA 1 23 GLU HB2 . . 2.990 2.863 1.995 3.843 0.853 6 3 "[ .+ 1 - . *]" 1
17 1 19 GLN QG 1 20 ALA MB . . 5.060 4.231 3.225 5.063 0.003 14 0 "[ . 1 . 2]" 1
18 1 20 ALA H 1 21 THR H . . 5.500 3.252 1.902 4.674 . 0 0 "[ . 1 . 2]" 1
19 1 20 ALA HA 1 21 THR H . . 3.620 3.026 2.418 3.632 0.012 7 0 "[ . 1 . 2]" 1
20 1 20 ALA MB 1 21 THR H . . 4.640 2.747 2.022 3.792 . 0 0 "[ . 1 . 2]" 1
21 1 20 ALA MB 1 21 THR HA . . 5.260 3.993 3.758 4.345 . 0 0 "[ . 1 . 2]" 1
22 1 20 ALA MB 1 24 GLN HB2 . . 4.110 3.745 3.293 4.045 . 0 0 "[ . 1 . 2]" 1
23 1 21 THR H 1 21 THR MG . . 4.260 3.315 1.931 4.016 . 0 0 "[ . 1 . 2]" 1
24 1 21 THR H 1 24 GLN HB2 . . 4.530 3.605 2.607 4.507 . 0 0 "[ . 1 . 2]" 1
25 1 21 THR H 1 24 GLN HB3 . . 5.370 4.106 2.690 5.348 . 0 0 "[ . 1 . 2]" 1
26 1 21 THR HA 1 21 THR MG . . 3.330 2.487 2.110 2.671 . 0 0 "[ . 1 . 2]" 1
27 1 21 THR HA 1 22 ALA MB . . 5.500 4.769 4.458 4.953 . 0 0 "[ . 1 . 2]" 1
28 1 21 THR HA 1 23 GLU H . . 5.500 4.911 4.278 5.413 . 0 0 "[ . 1 . 2]" 1
29 1 21 THR HA 1 24 GLN HB2 . . 5.210 4.682 4.084 5.190 . 0 0 "[ . 1 . 2]" 1
30 1 21 THR HB 1 22 ALA H . . 4.330 2.090 1.951 2.465 . 0 0 "[ . 1 . 2]" 1
31 1 21 THR HB 1 23 GLU H . . 4.330 3.990 3.327 4.273 . 0 0 "[ . 1 . 2]" 1
32 1 21 THR HB 1 24 GLN H . . 5.500 5.260 4.958 5.502 0.002 16 0 "[ . 1 . 2]" 1
33 1 22 ALA H 1 23 GLU H . . 4.370 2.546 2.280 2.935 . 0 0 "[ . 1 . 2]" 1
34 1 22 ALA H 1 24 GLN H . . 5.500 4.338 3.959 4.817 . 0 0 "[ . 1 . 2]" 1
35 1 22 ALA HA 1 25 ILE H . . 3.910 3.571 3.294 3.816 . 0 0 "[ . 1 . 2]" 1
36 1 22 ALA HA 1 25 ILE HB . . 3.180 2.983 2.388 3.177 . 0 0 "[ . 1 . 2]" 1
37 1 22 ALA HA 1 25 ILE MD . . 3.520 2.144 1.822 2.419 . 0 0 "[ . 1 . 2]" 1
38 1 22 ALA HA 1 25 ILE HG12 . . 5.500 4.778 4.340 5.042 . 0 0 "[ . 1 . 2]" 1
39 1 22 ALA HA 1 25 ILE HG13 . . 4.860 3.852 3.184 4.684 . 0 0 "[ . 1 . 2]" 1
40 1 22 ALA MB 1 23 GLU H . . 3.990 2.679 2.341 2.940 . 0 0 "[ . 1 . 2]" 1
41 1 22 ALA MB 1 23 GLU HA . . 4.280 3.718 3.606 3.888 . 0 0 "[ . 1 . 2]" 1
42 1 22 ALA MB 1 25 ILE H . . 4.930 4.750 4.498 4.915 . 0 0 "[ . 1 . 2]" 1
43 1 23 GLU H 1 23 GLU HB2 . . 3.820 2.112 2.020 2.370 . 0 0 "[ . 1 . 2]" 1
44 1 23 GLU H 1 23 GLU HB3 . . 3.160 3.049 2.627 3.435 0.275 11 0 "[ . 1 . 2]" 1
45 1 23 GLU H 1 23 GLU QG . . 4.490 3.789 3.154 3.990 . 0 0 "[ . 1 . 2]" 1
46 1 23 GLU H 1 24 GLN H . . 3.800 2.938 2.592 3.148 . 0 0 "[ . 1 . 2]" 1
47 1 23 GLU H 1 25 ILE H . . 5.150 4.535 4.182 4.755 . 0 0 "[ . 1 . 2]" 1
48 1 23 GLU HA 1 23 GLU HB2 . . 2.970 2.746 2.571 2.969 . 0 0 "[ . 1 . 2]" 1
49 1 23 GLU HA 1 23 GLU QG . . 3.260 2.251 1.983 2.640 . 0 0 "[ . 1 . 2]" 1
50 1 23 GLU HA 1 24 GLN H . . 3.640 3.635 3.618 3.643 0.003 7 0 "[ . 1 . 2]" 1
51 1 23 GLU HA 1 26 ARG HB2 . . 4.700 2.752 2.411 3.036 . 0 0 "[ . 1 . 2]" 1
52 1 23 GLU HA 1 26 ARG HB3 . . 4.380 4.274 3.466 4.699 0.319 2 0 "[ . 1 . 2]" 1
53 1 23 GLU HA 1 26 ARG HG3 . . 4.060 3.920 3.589 4.063 0.003 10 0 "[ . 1 . 2]" 1
54 1 23 GLU HA 1 27 LEU HG . . 4.040 3.794 3.596 4.007 . 0 0 "[ . 1 . 2]" 1
55 1 23 GLU HB2 1 24 GLN H . . 4.620 3.302 2.771 3.730 . 0 0 "[ . 1 . 2]" 1
56 1 23 GLU HB3 1 24 GLN H . . 4.360 2.531 2.268 3.003 . 0 0 "[ . 1 . 2]" 1
57 1 23 GLU HB3 1 27 LEU MD1 . . 4.690 3.333 2.811 3.901 . 0 0 "[ . 1 . 2]" 1
58 1 23 GLU QG 1 27 LEU MD1 . . 4.120 3.103 2.548 4.051 . 0 0 "[ . 1 . 2]" 1
59 1 23 GLU QG 1 27 LEU MD2 . . 5.500 2.986 2.359 4.151 . 0 0 "[ . 1 . 2]" 1
60 1 24 GLN H 1 24 GLN HB2 . . 3.290 2.309 2.183 2.556 . 0 0 "[ . 1 . 2]" 1
61 1 24 GLN H 1 24 GLN HB3 . . 3.490 2.689 2.395 2.861 . 0 0 "[ . 1 . 2]" 1
62 1 24 GLN H 1 24 GLN HG3 . . 5.240 4.402 4.180 4.582 . 0 0 "[ . 1 . 2]" 1
63 1 24 GLN H 1 25 ILE H . . 3.970 3.039 2.770 3.191 . 0 0 "[ . 1 . 2]" 1
64 1 24 GLN HA 1 24 GLN HG3 . . 3.260 3.189 2.771 3.676 0.416 11 0 "[ . 1 . 2]" 1
65 1 24 GLN HA 1 27 LEU H . . 3.630 3.157 3.017 3.389 . 0 0 "[ . 1 . 2]" 1
66 1 24 GLN HA 1 27 LEU HB2 . . 3.570 2.033 1.993 2.235 . 0 0 "[ . 1 . 2]" 1
67 1 24 GLN HA 1 27 LEU HB3 . . 3.800 3.581 3.548 3.784 . 0 0 "[ . 1 . 2]" 1
68 1 24 GLN HA 1 27 LEU MD1 . . 3.670 2.715 2.439 3.001 . 0 0 "[ . 1 . 2]" 1
69 1 24 GLN HA 1 27 LEU HG . . 5.430 2.889 2.548 3.676 . 0 0 "[ . 1 . 2]" 1
70 1 24 GLN HA 1 28 ALA H . . 4.570 3.576 3.270 4.147 . 0 0 "[ . 1 . 2]" 1
71 1 24 GLN HB2 1 24 GLN HG3 . . 3.040 2.304 2.264 2.498 . 0 0 "[ . 1 . 2]" 1
72 1 24 GLN HB2 1 25 ILE H . . 4.030 3.684 3.530 3.922 . 0 0 "[ . 1 . 2]" 1
73 1 24 GLN HB3 1 25 ILE H . . 3.610 2.336 2.193 2.570 . 0 0 "[ . 1 . 2]" 1
74 1 24 GLN HB3 1 59 ILE MD . . 5.500 4.688 3.946 5.307 . 0 0 "[ . 1 . 2]" 1
75 1 24 GLN HE21 1 25 ILE MG . . 5.300 4.850 4.319 5.279 . 0 0 "[ . 1 . 2]" 1
76 1 24 GLN HE21 1 59 ILE MD . . 5.100 3.345 2.279 4.562 . 0 0 "[ . 1 . 2]" 1
77 1 24 GLN HG3 1 25 ILE H . . 4.890 4.828 4.399 5.058 0.168 7 0 "[ . 1 . 2]" 1
78 1 24 GLN HG3 1 59 ILE MD . . 4.630 3.183 1.955 5.397 0.767 7 1 "[ . + 1 . 2]" 1
79 1 25 ILE H 1 25 ILE HB . . 2.970 2.398 2.274 2.462 . 0 0 "[ . 1 . 2]" 1
80 1 25 ILE H 1 25 ILE MD . . 4.310 3.089 2.553 3.428 . 0 0 "[ . 1 . 2]" 1
81 1 25 ILE H 1 25 ILE HG12 . . 3.940 3.555 3.361 3.898 . 0 0 "[ . 1 . 2]" 1
82 1 25 ILE H 1 25 ILE HG13 . . 3.290 2.140 1.961 2.603 . 0 0 "[ . 1 . 2]" 1
83 1 25 ILE H 1 25 ILE MG . . 4.010 3.702 3.668 3.715 . 0 0 "[ . 1 . 2]" 1
84 1 25 ILE H 1 26 ARG H . . 3.560 2.994 2.784 3.164 . 0 0 "[ . 1 . 2]" 1
85 1 25 ILE HA 1 25 ILE MD . . 3.850 3.804 3.648 3.851 0.001 10 0 "[ . 1 . 2]" 1
86 1 25 ILE HA 1 25 ILE HG12 . . 3.290 2.715 2.514 2.992 . 0 0 "[ . 1 . 2]" 1
87 1 25 ILE HA 1 25 ILE HG13 . . 3.470 2.608 2.233 2.833 . 0 0 "[ . 1 . 2]" 1
88 1 25 ILE HA 1 25 ILE MG . . 3.140 2.500 2.425 2.608 . 0 0 "[ . 1 . 2]" 1
89 1 25 ILE HA 1 27 LEU H . . 5.500 4.445 3.881 4.679 . 0 0 "[ . 1 . 2]" 1
90 1 25 ILE HA 1 28 ALA H . . 3.950 3.850 3.176 3.956 0.006 14 0 "[ . 1 . 2]" 1
91 1 25 ILE HA 1 28 ALA MB . . 3.420 3.139 2.463 3.383 . 0 0 "[ . 1 . 2]" 1
92 1 25 ILE HA 1 29 GLN H . . 5.500 4.280 3.891 4.474 . 0 0 "[ . 1 . 2]" 1
93 1 25 ILE HB 1 25 ILE MD . . 3.030 2.156 2.005 2.292 . 0 0 "[ . 1 . 2]" 1
94 1 25 ILE HB 1 26 ARG H . . 2.980 2.562 2.312 2.912 . 0 0 "[ . 1 . 2]" 1
95 1 25 ILE HG12 1 25 ILE MG . . 3.220 2.288 2.108 2.429 . 0 0 "[ . 1 . 2]" 1
96 1 25 ILE HG12 1 26 ARG H . . 5.500 5.118 4.935 5.386 . 0 0 "[ . 1 . 2]" 1
97 1 25 ILE HG13 1 25 ILE MG . . 3.350 3.188 3.075 3.239 . 0 0 "[ . 1 . 2]" 1
98 1 25 ILE MG 1 26 ARG H . . 4.240 3.111 2.662 3.418 . 0 0 "[ . 1 . 2]" 1
99 1 25 ILE MG 1 26 ARG HA . . 3.900 3.238 2.909 3.409 . 0 0 "[ . 1 . 2]" 1
100 1 25 ILE MG 1 29 GLN QB . . 4.000 3.394 3.072 3.585 . 0 0 "[ . 1 . 2]" 1
101 1 26 ARG H 1 26 ARG HB2 . . 3.580 2.195 2.061 2.377 . 0 0 "[ . 1 . 2]" 1
102 1 26 ARG H 1 26 ARG HB3 . . 3.510 3.466 3.351 3.539 0.029 2 0 "[ . 1 . 2]" 1
103 1 26 ARG H 1 26 ARG HG2 . . 3.800 3.126 2.842 3.559 . 0 0 "[ . 1 . 2]" 1
104 1 26 ARG H 1 26 ARG HG3 . . 4.200 3.194 2.623 3.623 . 0 0 "[ . 1 . 2]" 1
105 1 26 ARG HA 1 26 ARG HB2 . . 3.020 3.016 2.954 3.049 0.029 2 0 "[ . 1 . 2]" 1
106 1 26 ARG HA 1 26 ARG HB3 . . 3.050 2.709 2.617 2.822 . 0 0 "[ . 1 . 2]" 1
107 1 26 ARG HA 1 26 ARG HD2 . . 4.550 4.005 3.207 4.550 0.000 15 0 "[ . 1 . 2]" 1
108 1 26 ARG HA 1 26 ARG HD3 . . 4.140 3.361 3.046 3.756 . 0 0 "[ . 1 . 2]" 1
109 1 26 ARG HA 1 26 ARG HG2 . . 3.200 2.142 2.018 2.303 . 0 0 "[ . 1 . 2]" 1
110 1 26 ARG HA 1 26 ARG HG3 . . 3.690 3.434 3.232 3.584 . 0 0 "[ . 1 . 2]" 1
111 1 26 ARG HA 1 27 LEU H . . 3.620 3.588 3.497 3.617 . 0 0 "[ . 1 . 2]" 1
112 1 26 ARG HA 1 29 GLN QB . . 3.270 2.213 1.989 3.289 0.019 10 0 "[ . 1 . 2]" 1
113 1 26 ARG HA 1 29 GLN HG3 . . 4.590 4.745 3.578 5.049 0.459 13 0 "[ . 1 . 2]" 1
114 1 26 ARG HB2 1 26 ARG HD2 . . 3.720 3.262 3.068 3.639 . 0 0 "[ . 1 . 2]" 1
115 1 26 ARG HB2 1 26 ARG HG3 . . 3.050 2.271 2.264 2.303 . 0 0 "[ . 1 . 2]" 1
116 1 26 ARG HB2 1 27 LEU H . . 3.500 2.867 2.619 3.365 . 0 0 "[ . 1 . 2]" 1
117 1 26 ARG HB3 1 26 ARG HD2 . . 3.390 2.359 2.001 3.070 . 0 0 "[ . 1 . 2]" 1
118 1 26 ARG HB3 1 26 ARG HD3 . . 3.480 2.690 2.000 3.401 . 0 0 "[ . 1 . 2]" 1
119 1 26 ARG HB3 1 27 LEU H . . 3.610 3.460 3.339 3.621 0.011 10 0 "[ . 1 . 2]" 1
120 1 27 LEU H 1 27 LEU HB2 . . 3.560 2.317 2.202 2.396 . 0 0 "[ . 1 . 2]" 1
121 1 27 LEU H 1 27 LEU HB3 . . 3.380 3.512 3.477 3.527 0.147 17 0 "[ . 1 . 2]" 1
122 1 27 LEU H 1 27 LEU MD1 . . 5.030 3.900 3.745 4.058 . 0 0 "[ . 1 . 2]" 1
123 1 27 LEU H 1 27 LEU MD2 . . 4.480 3.050 2.780 3.633 . 0 0 "[ . 1 . 2]" 1
124 1 27 LEU H 1 27 LEU HG . . 3.030 2.551 2.414 2.972 . 0 0 "[ . 1 . 2]" 1
125 1 27 LEU H 1 28 ALA H . . 3.610 2.877 2.331 3.045 . 0 0 "[ . 1 . 2]" 1
126 1 27 LEU HA 1 27 LEU MD1 . . 3.630 3.683 3.654 3.803 0.173 13 0 "[ . 1 . 2]" 1
127 1 27 LEU HA 1 27 LEU MD2 . . 2.890 1.894 1.873 1.929 . 0 0 "[ . 1 . 2]" 1
128 1 27 LEU HA 1 27 LEU HG . . 3.660 3.218 2.907 3.302 . 0 0 "[ . 1 . 2]" 1
129 1 27 LEU HA 1 30 MET H . . 3.380 3.151 3.054 3.385 0.005 11 0 "[ . 1 . 2]" 1
130 1 27 LEU HA 1 30 MET QB . . 3.680 2.513 2.268 2.876 . 0 0 "[ . 1 . 2]" 1
131 1 27 LEU HA 1 30 MET ME . . 4.560 3.563 2.626 4.400 . 0 0 "[ . 1 . 2]" 1
132 1 27 LEU HA 1 30 MET HG2 . . 5.480 4.998 4.501 5.488 0.008 15 0 "[ . 1 . 2]" 1
133 1 27 LEU HA 1 30 MET HG3 . . 4.570 3.969 3.042 5.464 0.894 14 1 "[ . 1 +. 2]" 1
134 1 27 LEU HB2 1 27 LEU MD2 . . 3.370 3.190 3.183 3.207 . 0 0 "[ . 1 . 2]" 1
135 1 27 LEU HB2 1 28 ALA H . . 3.820 2.422 2.252 2.927 . 0 0 "[ . 1 . 2]" 1
136 1 27 LEU HB2 1 31 ILE MD . . 4.060 3.408 3.258 3.556 . 0 0 "[ . 1 . 2]" 1
137 1 27 LEU HB3 1 27 LEU MD1 . . 3.300 2.169 2.092 2.304 . 0 0 "[ . 1 . 2]" 1
138 1 27 LEU HB3 1 27 LEU MD2 . . 3.620 2.570 2.400 2.613 . 0 0 "[ . 1 . 2]" 1
139 1 27 LEU HB3 1 28 ALA H . . 3.810 3.220 3.000 3.616 . 0 0 "[ . 1 . 2]" 1
140 1 27 LEU MD2 1 28 ALA H . . 4.790 4.517 4.471 4.646 . 0 0 "[ . 1 . 2]" 1
141 1 27 LEU MD2 1 30 MET ME . . 3.570 2.855 2.159 3.503 . 0 0 "[ . 1 . 2]" 1
142 1 27 LEU HG 1 31 ILE MD . . 4.610 4.572 4.429 4.622 0.012 15 0 "[ . 1 . 2]" 1
143 1 28 ALA H 1 28 ALA MB . . 3.130 2.020 1.935 2.156 . 0 0 "[ . 1 . 2]" 1
144 1 28 ALA H 1 29 GLN QB . . 5.500 4.444 4.318 4.550 . 0 0 "[ . 1 . 2]" 1
145 1 28 ALA HA 1 31 ILE H . . 3.990 3.365 3.230 3.527 . 0 0 "[ . 1 . 2]" 1
146 1 28 ALA HA 1 31 ILE HB . . 3.380 2.437 2.232 2.629 . 0 0 "[ . 1 . 2]" 1
147 1 28 ALA HA 1 31 ILE MD . . 3.460 2.483 2.209 2.847 . 0 0 "[ . 1 . 2]" 1
148 1 28 ALA HA 1 31 ILE MG . . 4.110 3.628 3.374 4.003 . 0 0 "[ . 1 . 2]" 1
149 1 28 ALA MB 1 29 GLN H . . 3.900 2.878 2.683 3.124 . 0 0 "[ . 1 . 2]" 1
150 1 28 ALA MB 1 29 GLN HA . . 5.020 3.823 3.703 3.909 . 0 0 "[ . 1 . 2]" 1
151 1 28 ALA MB 1 29 GLN QB . . 4.340 3.930 3.782 4.035 . 0 0 "[ . 1 . 2]" 1
152 1 28 ALA MB 1 55 ASP HA . . 4.560 3.854 2.448 4.558 . 0 0 "[ . 1 . 2]" 1
153 1 28 ALA MB 1 55 ASP QB . . 4.100 3.513 2.277 4.105 0.005 13 0 "[ . 1 . 2]" 1
154 1 28 ALA MB 1 58 VAL HB . . 4.480 4.075 2.758 4.473 . 0 0 "[ . 1 . 2]" 1
155 1 28 ALA MB 1 58 VAL MG1 . . 4.190 3.565 2.480 3.959 . 0 0 "[ . 1 . 2]" 1
156 1 29 GLN H 1 29 GLN QB . . 3.280 2.159 2.142 2.242 . 0 0 "[ . 1 . 2]" 1
157 1 29 GLN H 1 29 GLN HG2 . . 4.710 4.068 2.541 4.258 . 0 0 "[ . 1 . 2]" 1
158 1 29 GLN H 1 29 GLN HG3 . . 4.270 4.281 3.687 4.346 0.076 9 0 "[ . 1 . 2]" 1
159 1 29 GLN H 1 30 MET HA . . 5.120 5.042 4.917 5.121 0.001 1 0 "[ . 1 . 2]" 1
160 1 29 GLN HA 1 29 GLN HG2 . . 3.710 3.738 3.716 3.803 0.093 10 0 "[ . 1 . 2]" 1
161 1 29 GLN HA 1 29 GLN HG3 . . 3.880 2.762 2.655 3.688 . 0 0 "[ . 1 . 2]" 1
162 1 29 GLN HA 1 32 SER H . . 5.270 3.939 3.651 4.225 . 0 0 "[ . 1 . 2]" 1
163 1 29 GLN HA 1 32 SER HB2 . . 5.180 3.844 3.007 4.902 . 0 0 "[ . 1 . 2]" 1
164 1 29 GLN HA 1 32 SER HB3 . . 4.340 3.654 3.147 4.573 0.233 13 0 "[ . 1 . 2]" 1
165 1 29 GLN HG2 1 30 MET H . . 4.680 3.688 2.552 3.834 . 0 0 "[ . 1 . 2]" 1
166 1 29 GLN HG2 1 30 MET HA . . 3.890 3.843 3.767 4.179 0.289 10 0 "[ . 1 . 2]" 1
167 1 30 MET H 1 30 MET QB . . 2.770 2.186 2.010 2.333 . 0 0 "[ . 1 . 2]" 1
168 1 30 MET H 1 30 MET ME . . 5.500 4.391 3.592 4.971 . 0 0 "[ . 1 . 2]" 1
169 1 30 MET H 1 30 MET HG2 . . 4.560 3.702 2.827 4.390 . 0 0 "[ . 1 . 2]" 1
170 1 30 MET H 1 30 MET HG3 . . 4.390 3.042 2.587 4.398 0.008 14 0 "[ . 1 . 2]" 1
171 1 30 MET H 1 31 ILE HB . . 5.500 4.277 4.146 4.310 . 0 0 "[ . 1 . 2]" 1
172 1 30 MET H 1 31 ILE HG13 . . 5.500 4.843 4.296 5.094 . 0 0 "[ . 1 . 2]" 1
173 1 30 MET H 1 31 ILE MG . . 5.500 5.484 5.384 5.502 0.002 11 0 "[ . 1 . 2]" 1
174 1 30 MET H 1 32 SER H . . 4.360 4.061 3.630 4.359 . 0 0 "[ . 1 . 2]" 1
175 1 30 MET HA 1 30 MET HG2 . . 3.800 2.463 2.011 3.505 . 0 0 "[ . 1 . 2]" 1
176 1 30 MET HA 1 30 MET HG3 . . 3.720 2.994 2.370 3.592 . 0 0 "[ . 1 . 2]" 1
177 1 30 MET HA 1 31 ILE H . . 3.540 3.603 3.594 3.620 0.080 11 0 "[ . 1 . 2]" 1
178 1 30 MET HA 1 33 ASP QB . . 4.040 2.875 2.565 3.746 . 0 0 "[ . 1 . 2]" 1
179 1 30 MET HA 1 34 HIS HD2 . . 5.140 4.362 3.055 5.091 . 0 0 "[ . 1 . 2]" 1
180 1 30 MET QB 1 31 ILE H . . 2.600 2.610 2.595 2.613 0.013 11 0 "[ . 1 . 2]" 1
181 1 30 MET QB 1 31 ILE HG13 . . 4.820 3.600 3.174 3.787 . 0 0 "[ . 1 . 2]" 1
182 1 30 MET QB 1 34 HIS HD2 . . 5.250 3.897 2.793 5.206 . 0 0 "[ . 1 . 2]" 1
183 1 31 ILE H 1 31 ILE HB . . 3.380 2.202 2.175 2.345 . 0 0 "[ . 1 . 2]" 1
184 1 31 ILE H 1 31 ILE MD . . 4.160 2.710 2.479 3.346 . 0 0 "[ . 1 . 2]" 1
185 1 31 ILE H 1 31 ILE HG12 . . 4.050 3.997 3.734 4.051 0.001 6 0 "[ . 1 . 2]" 1
186 1 31 ILE H 1 31 ILE HG13 . . 3.650 2.778 2.313 2.935 . 0 0 "[ . 1 . 2]" 1
187 1 31 ILE H 1 31 ILE MG . . 4.080 3.629 3.614 3.691 . 0 0 "[ . 1 . 2]" 1
188 1 31 ILE H 1 32 SER H . . 3.250 2.777 2.529 2.932 . 0 0 "[ . 1 . 2]" 1
189 1 31 ILE HA 1 31 ILE MD . . 4.790 3.646 3.545 3.806 . 0 0 "[ . 1 . 2]" 1
190 1 31 ILE HA 1 31 ILE HG12 . . 3.640 2.974 2.604 3.091 . 0 0 "[ . 1 . 2]" 1
191 1 31 ILE HA 1 31 ILE HG13 . . 3.820 2.242 2.141 2.514 . 0 0 "[ . 1 . 2]" 1
192 1 31 ILE HA 1 31 ILE MG . . 3.250 2.577 2.422 2.627 . 0 0 "[ . 1 . 2]" 1
193 1 31 ILE HA 1 34 HIS HB2 . . 5.500 3.262 2.331 5.405 . 0 0 "[ . 1 . 2]" 1
194 1 31 ILE HA 1 34 HIS HB3 . . 5.500 4.602 3.761 5.016 . 0 0 "[ . 1 . 2]" 1
195 1 31 ILE HA 1 34 HIS HD2 . . 5.130 4.543 2.320 5.107 . 0 0 "[ . 1 . 2]" 1
196 1 31 ILE HB 1 31 ILE MD . . 3.190 2.000 1.956 2.119 . 0 0 "[ . 1 . 2]" 1
197 1 31 ILE HB 1 32 SER H . . 4.470 2.712 2.399 3.151 . 0 0 "[ . 1 . 2]" 1
198 1 31 ILE HB 1 58 VAL MG1 . . 4.400 3.528 2.866 4.167 . 0 0 "[ . 1 . 2]" 1
199 1 31 ILE MD 1 62 HIS QB . . 4.360 3.508 2.471 4.290 . 0 0 "[ . 1 . 2]" 1
200 1 31 ILE MD 1 62 HIS HD2 . . 5.090 4.130 3.262 5.086 . 0 0 "[ . 1 . 2]" 1
201 1 31 ILE HG12 1 31 ILE MG . . 3.500 2.177 2.078 2.329 . 0 0 "[ . 1 . 2]" 1
202 1 31 ILE HG12 1 62 HIS HE1 . . 4.670 3.683 2.614 4.615 . 0 0 "[ . 1 . 2]" 1
203 1 31 ILE HG13 1 31 ILE MG . . 3.490 3.090 3.031 3.217 . 0 0 "[ . 1 . 2]" 1
204 1 31 ILE MG 1 32 SER H . . 4.760 2.964 2.608 3.552 . 0 0 "[ . 1 . 2]" 1
205 1 31 ILE MG 1 32 SER HA . . 4.560 3.115 2.930 3.476 . 0 0 "[ . 1 . 2]" 1
206 1 31 ILE MG 1 34 HIS HB2 . . 5.500 4.578 3.649 5.496 . 0 0 "[ . 1 . 2]" 1
207 1 31 ILE MG 1 34 HIS HB3 . . 5.500 5.328 4.574 5.500 . 7 0 "[ . 1 . 2]" 1
208 1 31 ILE MG 1 35 ASN HB2 . . 5.500 4.609 2.560 5.429 . 0 0 "[ . 1 . 2]" 1
209 1 31 ILE MG 1 35 ASN HD21 . . 5.500 4.139 2.373 5.425 . 0 0 "[ . 1 . 2]" 1
210 1 31 ILE MG 1 35 ASN HD22 . . 4.910 3.604 2.066 5.313 0.403 2 0 "[ . 1 . 2]" 1
211 1 31 ILE MG 1 39 PHE QD . . 5.170 4.250 3.549 4.818 . 0 0 "[ . 1 . 2]" 1
212 1 31 ILE MG 1 39 PHE QE . . 4.230 3.203 2.367 3.871 . 0 0 "[ . 1 . 2]" 1
213 1 31 ILE MG 1 39 PHE HZ . . 4.540 3.456 2.545 4.329 . 0 0 "[ . 1 . 2]" 1
214 1 31 ILE MG 1 58 VAL MG1 . . 4.050 2.323 1.722 3.624 . 0 0 "[ . 1 . 2]" 1
215 1 31 ILE MG 1 62 HIS QB . . 3.890 3.073 2.403 3.719 . 0 0 "[ . 1 . 2]" 1
216 1 32 SER H 1 32 SER HB2 . . 3.820 2.570 2.059 3.569 . 0 0 "[ . 1 . 2]" 1
217 1 32 SER H 1 33 ASP H . . 4.670 2.968 2.544 3.123 . 0 0 "[ . 1 . 2]" 1
218 1 32 SER H 1 58 VAL MG1 . . 5.500 4.130 2.521 4.902 . 0 0 "[ . 1 . 2]" 1
219 1 32 SER HA 1 32 SER HB2 . . 2.920 2.560 2.357 3.031 0.111 13 0 "[ . 1 . 2]" 1
220 1 32 SER HA 1 33 ASP QB . . 5.500 5.246 5.151 5.444 . 0 0 "[ . 1 . 2]" 1
221 1 32 SER HA 1 35 ASN HB2 . . 4.880 3.564 2.489 4.782 . 0 0 "[ . 1 . 2]" 1
222 1 32 SER HB3 1 33 ASP H . . 4.990 2.726 2.148 3.882 . 0 0 "[ . 1 . 2]" 1
223 1 33 ASP H 1 33 ASP QB . . 3.920 2.125 1.999 2.606 . 0 0 "[ . 1 . 2]" 1
224 1 33 ASP QB 1 34 HIS HD2 . . 5.060 3.122 2.247 3.801 . 0 0 "[ . 1 . 2]" 1
225 1 34 HIS HA 1 34 HIS HD2 . . 4.780 4.285 3.292 4.730 . 0 0 "[ . 1 . 2]" 1
226 1 35 ASN HB2 1 35 ASN HD22 . . 4.030 3.610 3.447 4.157 0.127 8 0 "[ . 1 . 2]" 1
227 1 35 ASN HB2 1 36 ASP H . . 5.010 3.753 2.237 4.709 . 0 0 "[ . 1 . 2]" 1
228 1 35 ASN HB3 1 36 ASP H . . 4.940 2.812 1.975 4.144 . 0 0 "[ . 1 . 2]" 1
229 1 36 ASP H 1 36 ASP HB2 . . 4.160 2.699 2.243 3.326 . 0 0 "[ . 1 . 2]" 1
230 1 36 ASP H 1 36 ASP HB3 . . 4.080 3.290 2.705 3.916 . 0 0 "[ . 1 . 2]" 1
231 1 36 ASP HA 1 37 ALA H . . 3.540 2.543 2.381 2.871 . 0 0 "[ . 1 . 2]" 1
232 1 36 ASP HB2 1 37 ALA H . . 4.790 3.971 3.614 4.273 . 0 0 "[ . 1 . 2]" 1
233 1 36 ASP HB2 1 37 ALA MB . . 5.410 5.299 4.966 5.502 0.092 12 0 "[ . 1 . 2]" 1
234 1 36 ASP HB2 1 39 PHE HB2 . . 4.650 4.069 3.244 5.049 0.399 15 0 "[ . 1 . 2]" 1
235 1 36 ASP HB2 1 39 PHE HB3 . . 4.840 3.821 2.726 4.928 0.088 15 0 "[ . 1 . 2]" 1
236 1 36 ASP HB3 1 37 ALA H . . 4.300 2.905 2.192 3.906 . 0 0 "[ . 1 . 2]" 1
237 1 36 ASP HB3 1 37 ALA MB . . 5.500 4.166 3.487 5.277 . 0 0 "[ . 1 . 2]" 1
238 1 36 ASP HB3 1 39 PHE HB2 . . 5.290 4.149 2.984 5.291 0.001 8 0 "[ . 1 . 2]" 1
239 1 36 ASP HB3 1 39 PHE HB3 . . 4.960 3.789 2.110 4.938 . 0 0 "[ . 1 . 2]" 1
240 1 37 ALA H 1 37 ALA MB . . 3.390 2.142 2.057 2.226 . 0 0 "[ . 1 . 2]" 1
241 1 37 ALA H 1 38 ASP H . . 3.240 2.682 2.334 2.967 . 0 0 "[ . 1 . 2]" 1
242 1 37 ALA H 1 39 PHE H . . 5.500 4.645 4.105 5.038 . 0 0 "[ . 1 . 2]" 1
243 1 37 ALA HA 1 38 ASP H . . 3.610 3.609 3.568 3.642 0.032 10 0 "[ . 1 . 2]" 1
244 1 37 ALA HA 1 39 PHE H . . 5.310 4.885 4.613 5.076 . 0 0 "[ . 1 . 2]" 1
245 1 37 ALA HA 1 40 GLU H . . 3.730 3.360 3.146 3.603 . 0 0 "[ . 1 . 2]" 1
246 1 37 ALA HA 1 40 GLU HB2 . . 4.180 2.076 1.998 2.390 . 0 0 "[ . 1 . 2]" 1
247 1 37 ALA HA 1 40 GLU HB3 . . 3.760 3.456 2.703 3.728 . 0 0 "[ . 1 . 2]" 1
248 1 37 ALA HA 1 40 GLU HG2 . . 5.290 4.340 3.505 4.999 . 0 0 "[ . 1 . 2]" 1
249 1 37 ALA HA 1 40 GLU HG3 . . 5.500 3.392 3.035 4.039 . 0 0 "[ . 1 . 2]" 1
250 1 37 ALA HA 1 41 GLU H . . 5.500 3.726 3.497 4.013 . 0 0 "[ . 1 . 2]" 1
251 1 37 ALA MB 1 38 ASP H . . 3.470 2.555 2.249 2.803 . 0 0 "[ . 1 . 2]" 1
252 1 37 ALA MB 1 38 ASP QB . . 4.640 4.492 4.336 4.636 . 0 0 "[ . 1 . 2]" 1
253 1 37 ALA MB 1 40 GLU HB2 . . 4.200 3.687 3.489 4.086 . 0 0 "[ . 1 . 2]" 1
254 1 37 ALA MB 1 41 GLU HB2 . . 4.500 4.277 4.041 4.450 . 0 0 "[ . 1 . 2]" 1
255 1 37 ALA MB 1 41 GLU QG . . 4.280 4.193 3.904 4.287 0.007 10 0 "[ . 1 . 2]" 1
256 1 38 ASP H 1 38 ASP QB . . 3.030 2.562 2.363 2.648 . 0 0 "[ . 1 . 2]" 1
257 1 38 ASP H 1 39 PHE H . . 3.390 3.072 2.960 3.176 . 0 0 "[ . 1 . 2]" 1
258 1 38 ASP H 1 40 GLU HB2 . . 5.480 4.660 4.491 4.799 . 0 0 "[ . 1 . 2]" 1
259 1 38 ASP HA 1 39 PHE H . . 3.640 3.654 3.650 3.655 0.015 5 0 "[ . 1 . 2]" 1
260 1 38 ASP HA 1 40 GLU H . . 5.480 4.552 4.440 4.836 . 0 0 "[ . 1 . 2]" 1
261 1 38 ASP HA 1 41 GLU H . . 4.360 3.854 3.709 4.156 . 0 0 "[ . 1 . 2]" 1
262 1 38 ASP HA 1 41 GLU HB2 . . 4.320 3.248 3.043 3.630 . 0 0 "[ . 1 . 2]" 1
263 1 38 ASP HA 1 41 GLU HB3 . . 4.420 4.356 4.242 4.432 0.012 6 0 "[ . 1 . 2]" 1
264 1 38 ASP HA 1 41 GLU QG . . 5.020 4.699 4.356 5.004 . 0 0 "[ . 1 . 2]" 1
265 1 38 ASP HA 1 42 LYS H . . 5.200 4.529 4.276 4.702 . 0 0 "[ . 1 . 2]" 1
266 1 38 ASP QB 1 39 PHE H . . 3.630 1.995 1.932 2.165 . 0 0 "[ . 1 . 2]" 1
267 1 38 ASP QB 1 39 PHE HA . . 4.450 3.664 3.647 3.685 . 0 0 "[ . 1 . 2]" 1
268 1 38 ASP QB 1 39 PHE HB2 . . 4.080 3.657 3.549 3.760 . 0 0 "[ . 1 . 2]" 1
269 1 38 ASP QB 1 39 PHE HB3 . . 4.240 4.164 4.006 4.245 0.005 15 0 "[ . 1 . 2]" 1
270 1 38 ASP QB 1 39 PHE QD . . 5.210 5.048 4.904 5.182 . 0 0 "[ . 1 . 2]" 1
271 1 38 ASP QB 1 40 GLU H . . 4.800 4.337 4.215 4.507 . 0 0 "[ . 1 . 2]" 1
272 1 38 ASP QB 1 41 GLU H . . 5.500 5.067 4.999 5.187 . 0 0 "[ . 1 . 2]" 1
273 1 38 ASP QB 1 41 GLU HB2 . . 5.500 5.008 4.782 5.329 . 0 0 "[ . 1 . 2]" 1
274 1 38 ASP QB 1 42 LYS QD . . 4.710 4.465 3.818 4.705 . 0 0 "[ . 1 . 2]" 1
275 1 38 ASP QB 1 42 LYS HG2 . . 5.500 5.419 5.052 5.502 0.002 8 0 "[ . 1 . 2]" 1
276 1 38 ASP QB 1 42 LYS HG3 . . 4.400 3.954 3.637 4.074 . 0 0 "[ . 1 . 2]" 1
277 1 39 PHE H 1 39 PHE HB2 . . 2.970 2.330 2.232 2.434 . 0 0 "[ . 1 . 2]" 1
278 1 39 PHE H 1 39 PHE HB3 . . 3.180 2.375 2.264 2.475 . 0 0 "[ . 1 . 2]" 1
279 1 39 PHE H 1 39 PHE QD . . 4.510 4.067 4.045 4.074 . 0 0 "[ . 1 . 2]" 1
280 1 39 PHE H 1 40 GLU H . . 3.600 2.803 2.740 2.870 . 0 0 "[ . 1 . 2]" 1
281 1 39 PHE H 1 42 LYS H . . 5.480 4.796 4.655 4.906 . 0 0 "[ . 1 . 2]" 1
282 1 39 PHE HA 1 39 PHE QD . . 3.470 2.813 2.259 3.132 . 0 0 "[ . 1 . 2]" 1
283 1 39 PHE HA 1 41 GLU H . . 4.770 4.780 4.773 4.793 0.023 6 0 "[ . 1 . 2]" 1
284 1 39 PHE HA 1 42 LYS H . . 4.260 3.365 3.309 3.417 . 0 0 "[ . 1 . 2]" 1
285 1 39 PHE HA 1 42 LYS HB2 . . 3.440 2.383 2.251 2.497 . 0 0 "[ . 1 . 2]" 1
286 1 39 PHE HA 1 42 LYS HB3 . . 4.040 3.934 3.761 4.044 0.004 6 0 "[ . 1 . 2]" 1
287 1 39 PHE HA 1 42 LYS QD . . 3.530 3.214 2.956 3.485 . 0 0 "[ . 1 . 2]" 1
288 1 39 PHE HA 1 42 LYS QE . . 4.590 4.441 4.114 4.600 0.010 12 0 "[ . 1 . 2]" 1
289 1 39 PHE HA 1 42 LYS HG2 . . 4.780 4.705 4.432 4.795 0.015 14 0 "[ . 1 . 2]" 1
290 1 39 PHE HA 1 42 LYS HG3 . . 4.400 3.251 2.820 3.506 . 0 0 "[ . 1 . 2]" 1
291 1 39 PHE HA 1 43 VAL MG2 . . 4.650 3.905 3.576 4.109 . 0 0 "[ . 1 . 2]" 1
292 1 39 PHE HA 1 61 LEU MD2 . . 3.780 2.942 2.570 3.280 . 0 0 "[ . 1 . 2]" 1
293 1 39 PHE HB2 1 40 GLU H . . 3.860 3.842 3.784 3.868 0.008 12 0 "[ . 1 . 2]" 1
294 1 39 PHE HB3 1 40 GLU H . . 3.520 2.492 2.349 2.588 . 0 0 "[ . 1 . 2]" 1
295 1 39 PHE QD 1 40 GLU H . . 4.320 3.412 2.976 3.845 . 0 0 "[ . 1 . 2]" 1
296 1 39 PHE QD 1 40 GLU HA . . 4.280 3.239 2.738 4.141 . 0 0 "[ . 1 . 2]" 1
297 1 39 PHE QD 1 40 GLU HG2 . . 4.980 3.645 2.690 4.515 . 0 0 "[ . 1 . 2]" 1
298 1 39 PHE QD 1 40 GLU HG3 . . 5.020 4.213 3.216 4.978 . 0 0 "[ . 1 . 2]" 1
299 1 39 PHE QD 1 42 LYS QD . . 4.760 4.227 3.705 4.660 . 0 0 "[ . 1 . 2]" 1
300 1 39 PHE QD 1 43 VAL HB . . 5.500 4.554 3.978 5.258 . 0 0 "[ . 1 . 2]" 1
301 1 39 PHE QD 1 43 VAL MG2 . . 3.890 2.749 2.135 3.295 . 0 0 "[ . 1 . 2]" 1
302 1 39 PHE QD 1 58 VAL MG1 . . 3.930 3.951 3.917 4.016 0.086 12 0 "[ . 1 . 2]" 1
303 1 39 PHE QD 1 61 LEU MD2 . . 4.230 2.833 2.000 3.202 . 0 0 "[ . 1 . 2]" 1
304 1 39 PHE QD 1 61 LEU HG . . 4.560 2.938 2.681 3.143 . 0 0 "[ . 1 . 2]" 1
305 1 39 PHE QD 1 62 HIS HA . . 5.500 4.407 3.680 5.213 . 0 0 "[ . 1 . 2]" 1
306 1 39 PHE QE 1 43 VAL MG1 . . 5.460 3.993 3.402 4.697 . 0 0 "[ . 1 . 2]" 1
307 1 39 PHE QE 1 43 VAL MG2 . . 3.570 2.294 1.888 2.923 . 0 0 "[ . 1 . 2]" 1
308 1 39 PHE QE 1 58 VAL HA . . 4.200 3.153 2.567 3.661 . 0 0 "[ . 1 . 2]" 1
309 1 39 PHE QE 1 58 VAL MG1 . . 3.280 1.958 1.942 2.023 . 0 0 "[ . 1 . 2]" 1
310 1 39 PHE QE 1 58 VAL MG2 . . 3.390 2.739 2.073 3.403 0.013 5 0 "[ . 1 . 2]" 1
311 1 39 PHE QE 1 61 LEU HB2 . . 3.990 3.887 3.351 4.000 0.010 10 0 "[ . 1 . 2]" 1
312 1 39 PHE QE 1 61 LEU HB3 . . 4.160 2.377 1.995 2.640 . 0 0 "[ . 1 . 2]" 1
313 1 39 PHE QE 1 61 LEU MD1 . . 4.510 3.870 3.616 4.212 . 0 0 "[ . 1 . 2]" 1
314 1 39 PHE QE 1 61 LEU MD2 . . 3.900 2.901 2.087 3.238 . 0 0 "[ . 1 . 2]" 1
315 1 39 PHE QE 1 61 LEU HG . . 4.190 2.281 1.996 2.811 . 0 0 "[ . 1 . 2]" 1
316 1 39 PHE QE 1 62 HIS H . . 4.970 2.709 2.292 3.203 . 0 0 "[ . 1 . 2]" 1
317 1 39 PHE QE 1 62 HIS HA . . 4.610 2.868 2.170 3.888 . 0 0 "[ . 1 . 2]" 1
318 1 39 PHE QE 1 62 HIS QB . . 4.570 2.865 2.466 3.511 . 0 0 "[ . 1 . 2]" 1
319 1 39 PHE HZ 1 43 VAL MG2 . . 4.470 2.990 2.622 3.229 . 0 0 "[ . 1 . 2]" 1
320 1 39 PHE HZ 1 58 VAL HA . . 3.610 2.402 1.994 2.872 . 0 0 "[ . 1 . 2]" 1
321 1 39 PHE HZ 1 58 VAL MG1 . . 3.710 2.068 1.775 2.960 . 0 0 "[ . 1 . 2]" 1
322 1 39 PHE HZ 1 58 VAL MG2 . . 3.990 3.533 2.962 3.993 0.003 9 0 "[ . 1 . 2]" 1
323 1 39 PHE HZ 1 61 LEU H . . 5.230 4.758 4.048 5.233 0.003 7 0 "[ . 1 . 2]" 1
324 1 39 PHE HZ 1 61 LEU HB2 . . 5.100 4.352 3.657 5.000 . 0 0 "[ . 1 . 2]" 1
325 1 39 PHE HZ 1 61 LEU HB3 . . 4.180 2.796 1.999 3.427 . 0 0 "[ . 1 . 2]" 1
326 1 39 PHE HZ 1 61 LEU MD2 . . 4.550 3.584 3.236 3.975 . 0 0 "[ . 1 . 2]" 1
327 1 39 PHE HZ 1 62 HIS H . . 4.210 2.960 2.018 3.598 . 0 0 "[ . 1 . 2]" 1
328 1 39 PHE HZ 1 62 HIS QB . . 4.230 2.887 2.278 3.528 . 0 0 "[ . 1 . 2]" 1
329 1 40 GLU H 1 40 GLU HB2 . . 3.490 2.192 2.044 2.228 . 0 0 "[ . 1 . 2]" 1
330 1 40 GLU H 1 40 GLU HB3 . . 3.410 3.463 3.161 3.493 0.083 10 0 "[ . 1 . 2]" 1
331 1 40 GLU H 1 40 GLU HG2 . . 3.880 3.262 2.679 3.903 0.023 6 0 "[ . 1 . 2]" 1
332 1 40 GLU H 1 40 GLU HG3 . . 3.900 3.181 2.686 3.894 . 0 0 "[ . 1 . 2]" 1
333 1 40 GLU H 1 41 GLU H . . 3.430 2.945 2.851 3.140 . 0 0 "[ . 1 . 2]" 1
334 1 40 GLU H 1 42 LYS H . . 4.900 4.019 3.882 4.307 . 0 0 "[ . 1 . 2]" 1
335 1 40 GLU HA 1 40 GLU HG2 . . 3.750 2.337 1.996 2.705 . 0 0 "[ . 1 . 2]" 1
336 1 40 GLU HA 1 40 GLU HG3 . . 3.680 3.195 2.796 3.613 . 0 0 "[ . 1 . 2]" 1
337 1 40 GLU HA 1 43 VAL H . . 3.470 3.429 3.304 3.478 0.008 20 0 "[ . 1 . 2]" 1
338 1 40 GLU HA 1 43 VAL HB . . 2.900 2.737 2.544 2.895 . 0 0 "[ . 1 . 2]" 1
339 1 40 GLU HA 1 43 VAL MG2 . . 3.530 2.899 2.285 3.330 . 0 0 "[ . 1 . 2]" 1
340 1 40 GLU HB2 1 41 GLU H . . 2.830 2.604 2.544 3.165 0.335 6 0 "[ . 1 . 2]" 1
341 1 40 GLU HG2 1 41 GLU H . . 4.910 4.807 4.643 4.930 0.020 14 0 "[ . 1 . 2]" 1
342 1 40 GLU HG3 1 41 GLU H . . 4.670 4.787 4.694 4.969 0.299 6 0 "[ . 1 . 2]" 1
343 1 41 GLU H 1 41 GLU HB2 . . 2.800 2.036 2.023 2.059 . 0 0 "[ . 1 . 2]" 1
344 1 41 GLU H 1 41 GLU QG . . 3.410 3.208 3.092 3.419 0.009 6 0 "[ . 1 . 2]" 1
345 1 41 GLU H 1 42 LYS H . . 3.350 2.788 2.683 2.922 . 0 0 "[ . 1 . 2]" 1
346 1 41 GLU HA 1 41 GLU HB2 . . 3.010 2.890 2.812 2.934 . 0 0 "[ . 1 . 2]" 1
347 1 41 GLU HA 1 41 GLU QG . . 3.420 2.139 1.985 2.495 . 0 0 "[ . 1 . 2]" 1
348 1 41 GLU HA 1 44 LYS H . . 3.900 3.665 3.549 3.827 . 0 0 "[ . 1 . 2]" 1
349 1 41 GLU HA 1 44 LYS QB . . 3.000 2.847 2.719 2.983 . 0 0 "[ . 1 . 2]" 1
350 1 41 GLU HA 1 44 LYS QD . . 3.820 3.266 2.916 3.721 . 0 0 "[ . 1 . 2]" 1
351 1 41 GLU HA 1 44 LYS QE . . 5.060 4.697 4.146 5.041 . 0 0 "[ . 1 . 2]" 1
352 1 41 GLU HA 1 44 LYS QG . . 4.430 4.209 3.971 4.278 . 0 0 "[ . 1 . 2]" 1
353 1 41 GLU HA 1 45 GLN H . . 4.350 4.224 4.058 4.358 0.008 12 0 "[ . 1 . 2]" 1
354 1 41 GLU HB2 1 41 GLU QG . . 2.460 2.203 2.180 2.250 . 0 0 "[ . 1 . 2]" 1
355 1 41 GLU HB2 1 42 LYS H . . 3.630 3.259 3.112 3.411 . 0 0 "[ . 1 . 2]" 1
356 1 41 GLU HB3 1 41 GLU QG . . 2.540 2.495 2.354 2.546 0.006 15 0 "[ . 1 . 2]" 1
357 1 41 GLU HB3 1 42 LYS H . . 3.400 3.178 2.765 3.374 . 0 0 "[ . 1 . 2]" 1
358 1 41 GLU QG 1 42 LYS H . . 4.780 4.592 4.492 4.683 . 0 0 "[ . 1 . 2]" 1
359 1 42 LYS H 1 42 LYS HB2 . . 3.350 2.279 2.196 2.408 . 0 0 "[ . 1 . 2]" 1
360 1 42 LYS H 1 42 LYS HB3 . . 3.770 3.510 3.476 3.532 . 0 0 "[ . 1 . 2]" 1
361 1 42 LYS H 1 42 LYS QD . . 4.220 4.175 4.072 4.225 0.005 5 0 "[ . 1 . 2]" 1
362 1 42 LYS H 1 42 LYS HG2 . . 3.950 3.360 2.925 3.539 . 0 0 "[ . 1 . 2]" 1
363 1 42 LYS H 1 42 LYS HG3 . . 3.430 2.607 2.411 2.762 . 0 0 "[ . 1 . 2]" 1
364 1 42 LYS H 1 43 VAL H . . 2.920 2.714 2.576 2.857 . 0 0 "[ . 1 . 2]" 1
365 1 42 LYS H 1 44 LYS H . . 4.900 4.239 3.810 4.457 . 0 0 "[ . 1 . 2]" 1
366 1 42 LYS H 1 61 LEU MD2 . . 5.100 3.871 3.670 4.242 . 0 0 "[ . 1 . 2]" 1
367 1 42 LYS HA 1 42 LYS QD . . 4.140 3.700 3.613 3.819 . 0 0 "[ . 1 . 2]" 1
368 1 42 LYS HA 1 42 LYS QE . . 5.050 4.388 4.155 4.670 . 0 0 "[ . 1 . 2]" 1
369 1 42 LYS HA 1 42 LYS HG2 . . 3.200 2.189 2.126 2.243 . 0 0 "[ . 1 . 2]" 1
370 1 42 LYS HA 1 42 LYS HG3 . . 3.630 3.141 3.014 3.324 . 0 0 "[ . 1 . 2]" 1
371 1 42 LYS HA 1 45 GLN H . . 3.710 3.210 2.990 3.326 . 0 0 "[ . 1 . 2]" 1
372 1 42 LYS HA 1 45 GLN HB2 . . 3.280 2.145 1.977 2.230 . 0 0 "[ . 1 . 2]" 1
373 1 42 LYS HA 1 45 GLN HB3 . . 3.550 3.526 3.235 3.565 0.015 20 0 "[ . 1 . 2]" 1
374 1 42 LYS HA 1 45 GLN HG2 . . 4.560 4.509 4.308 4.616 0.056 15 0 "[ . 1 . 2]" 1
375 1 42 LYS HA 1 45 GLN HG3 . . 4.510 3.495 3.319 3.785 . 0 0 "[ . 1 . 2]" 1
376 1 42 LYS HA 1 46 LEU H . . 5.500 4.197 4.007 4.347 . 0 0 "[ . 1 . 2]" 1
377 1 42 LYS HA 1 61 LEU MD1 . . 5.500 4.848 4.489 5.375 . 0 0 "[ . 1 . 2]" 1
378 1 42 LYS HA 1 61 LEU MD2 . . 4.090 3.822 3.662 4.110 0.020 15 0 "[ . 1 . 2]" 1
379 1 42 LYS HA 1 68 VAL MG1 . . 4.430 4.304 4.041 4.433 0.003 15 0 "[ . 1 . 2]" 1
380 1 42 LYS HA 1 68 VAL MG2 . . 3.720 2.371 2.056 2.737 . 0 0 "[ . 1 . 2]" 1
381 1 42 LYS HB2 1 42 LYS QD . . 3.130 2.645 2.517 2.777 . 0 0 "[ . 1 . 2]" 1
382 1 42 LYS HB2 1 43 VAL H . . 3.430 2.573 2.449 2.704 . 0 0 "[ . 1 . 2]" 1
383 1 42 LYS HB2 1 43 VAL MG2 . . 4.200 3.477 3.273 3.748 . 0 0 "[ . 1 . 2]" 1
384 1 42 LYS HB2 1 61 LEU MD1 . . 4.290 3.702 3.355 4.244 . 0 0 "[ . 1 . 2]" 1
385 1 42 LYS HB2 1 61 LEU MD2 . . 3.510 2.139 1.936 2.678 . 0 0 "[ . 1 . 2]" 1
386 1 42 LYS HB2 1 68 VAL MG2 . . 4.060 3.251 3.130 3.430 . 0 0 "[ . 1 . 2]" 1
387 1 42 LYS HB3 1 42 LYS QD . . 3.330 2.248 2.114 2.338 . 0 0 "[ . 1 . 2]" 1
388 1 42 LYS HB3 1 42 LYS HG2 . . 3.030 2.666 2.595 2.725 . 0 0 "[ . 1 . 2]" 1
389 1 42 LYS HB3 1 43 VAL H . . 4.130 3.353 3.223 3.516 . 0 0 "[ . 1 . 2]" 1
390 1 42 LYS HB3 1 43 VAL MG2 . . 4.350 4.135 3.942 4.336 . 0 0 "[ . 1 . 2]" 1
391 1 42 LYS HB3 1 61 LEU MD1 . . 3.850 2.709 2.308 3.301 . 0 0 "[ . 1 . 2]" 1
392 1 42 LYS HB3 1 61 LEU MD2 . . 3.640 1.986 1.869 2.243 . 0 0 "[ . 1 . 2]" 1
393 1 42 LYS HB3 1 68 VAL MG2 . . 3.680 1.861 1.769 1.989 . 0 0 "[ . 1 . 2]" 1
394 1 42 LYS QD 1 43 VAL H . . 5.500 4.848 4.704 4.990 . 0 0 "[ . 1 . 2]" 1
395 1 42 LYS QD 1 61 LEU MD1 . . 3.720 2.622 2.168 3.350 . 0 0 "[ . 1 . 2]" 1
396 1 42 LYS QD 1 61 LEU MD2 . . 3.660 2.992 2.577 3.362 . 0 0 "[ . 1 . 2]" 1
397 1 42 LYS QD 1 68 VAL H . . 5.500 2.438 1.939 3.134 . 0 0 "[ . 1 . 2]" 1
398 1 42 LYS QD 1 68 VAL HB . . 3.360 3.244 2.993 3.360 . 0 0 "[ . 1 . 2]" 1
399 1 42 LYS QD 1 68 VAL MG2 . . 3.500 2.075 1.810 2.277 . 0 0 "[ . 1 . 2]" 1
400 1 42 LYS QE 1 42 LYS HG2 . . 3.220 2.389 2.140 2.679 . 0 0 "[ . 1 . 2]" 1
401 1 42 LYS QE 1 42 LYS HG3 . . 2.900 2.455 2.249 2.683 . 0 0 "[ . 1 . 2]" 1
402 1 42 LYS QE 1 61 LEU MD2 . . 5.170 4.736 4.474 5.139 . 0 0 "[ . 1 . 2]" 1
403 1 42 LYS QE 1 68 VAL H . . 5.500 4.043 3.195 4.894 . 0 0 "[ . 1 . 2]" 1
404 1 42 LYS QE 1 68 VAL MG2 . . 3.550 3.507 3.377 3.558 0.008 12 0 "[ . 1 . 2]" 1
405 1 42 LYS HG2 1 43 VAL H . . 5.500 4.907 4.814 4.981 . 0 0 "[ . 1 . 2]" 1
406 1 42 LYS HG2 1 68 VAL MG1 . . 5.500 4.680 4.445 5.012 . 0 0 "[ . 1 . 2]" 1
407 1 42 LYS HG2 1 68 VAL MG2 . . 3.690 2.304 1.985 2.538 . 0 0 "[ . 1 . 2]" 1
408 1 42 LYS HG3 1 43 VAL H . . 5.500 4.555 4.420 4.693 . 0 0 "[ . 1 . 2]" 1
409 1 42 LYS HG3 1 68 VAL MG2 . . 3.660 3.543 3.315 3.667 0.007 14 0 "[ . 1 . 2]" 1
410 1 43 VAL H 1 43 VAL HB . . 2.630 2.385 2.221 2.494 . 0 0 "[ . 1 . 2]" 1
411 1 43 VAL H 1 43 VAL MG1 . . 3.810 3.695 3.648 3.711 . 0 0 "[ . 1 . 2]" 1
412 1 43 VAL H 1 43 VAL MG2 . . 3.130 2.046 1.916 2.341 . 0 0 "[ . 1 . 2]" 1
413 1 43 VAL H 1 44 LYS H . . 3.520 2.996 2.891 3.081 . 0 0 "[ . 1 . 2]" 1
414 1 43 VAL H 1 61 LEU MD2 . . 4.500 2.616 2.402 2.845 . 0 0 "[ . 1 . 2]" 1
415 1 43 VAL HA 1 43 VAL MG1 . . 3.100 2.519 2.453 2.657 . 0 0 "[ . 1 . 2]" 1
416 1 43 VAL HA 1 43 VAL MG2 . . 3.030 2.333 2.163 2.409 . 0 0 "[ . 1 . 2]" 1
417 1 43 VAL HA 1 45 GLN H . . 5.410 4.582 4.363 4.894 . 0 0 "[ . 1 . 2]" 1
418 1 43 VAL HA 1 46 LEU H . . 3.910 3.429 3.280 3.585 . 0 0 "[ . 1 . 2]" 1
419 1 43 VAL HA 1 46 LEU HB2 . . 3.100 2.712 2.630 2.787 . 0 0 "[ . 1 . 2]" 1
420 1 43 VAL HA 1 46 LEU HB3 . . 4.300 4.281 4.219 4.337 0.037 14 0 "[ . 1 . 2]" 1
421 1 43 VAL HA 1 46 LEU MD1 . . 3.180 2.556 2.054 2.963 . 0 0 "[ . 1 . 2]" 1
422 1 43 VAL HA 1 46 LEU HG . . 4.100 3.920 3.554 4.106 0.006 19 0 "[ . 1 . 2]" 1
423 1 43 VAL HA 1 47 ILE H . . 5.080 4.458 4.229 4.921 . 0 0 "[ . 1 . 2]" 1
424 1 43 VAL HA 1 57 CYS HB3 . . 4.130 3.365 2.956 3.628 . 0 0 "[ . 1 . 2]" 1
425 1 43 VAL HA 1 61 LEU HB2 . . 3.810 3.818 3.800 3.830 0.020 6 0 "[ . 1 . 2]" 1
426 1 43 VAL HA 1 61 LEU MD1 . . 4.640 4.448 4.095 4.641 0.001 16 0 "[ . 1 . 2]" 1
427 1 43 VAL HA 1 61 LEU MD2 . . 4.210 2.440 2.158 2.717 . 0 0 "[ . 1 . 2]" 1
428 1 43 VAL HB 1 44 LYS H . . 3.360 2.518 2.393 2.718 . 0 0 "[ . 1 . 2]" 1
429 1 43 VAL HB 1 58 VAL MG1 . . 5.400 5.198 4.691 5.415 0.015 6 0 "[ . 1 . 2]" 1
430 1 43 VAL HB 1 58 VAL MG2 . . 4.530 3.600 3.330 3.946 . 0 0 "[ . 1 . 2]" 1
431 1 43 VAL HB 1 61 LEU MD2 . . 5.180 3.863 3.552 4.151 . 0 0 "[ . 1 . 2]" 1
432 1 43 VAL MG1 1 44 LYS H . . 3.800 3.118 2.749 3.482 . 0 0 "[ . 1 . 2]" 1
433 1 43 VAL MG1 1 44 LYS HA . . 3.870 3.285 2.949 3.482 . 0 0 "[ . 1 . 2]" 1
434 1 43 VAL MG1 1 47 ILE H . . 4.720 4.055 3.750 4.567 . 0 0 "[ . 1 . 2]" 1
435 1 43 VAL MG1 1 47 ILE HG13 . . 3.560 3.542 3.432 3.592 0.032 15 0 "[ . 1 . 2]" 1
436 1 43 VAL MG1 1 54 GLN HA . . 3.940 3.396 2.951 3.685 . 0 0 "[ . 1 . 2]" 1
437 1 43 VAL MG1 1 54 GLN HE21 . . 4.850 2.975 2.119 4.169 . 0 0 "[ . 1 . 2]" 1
438 1 43 VAL MG1 1 54 GLN HG2 . . 3.220 2.653 2.324 3.177 . 0 0 "[ . 1 . 2]" 1
439 1 43 VAL MG1 1 54 GLN HG3 . . 3.330 2.311 1.871 2.615 . 0 0 "[ . 1 . 2]" 1
440 1 43 VAL MG1 1 57 CYS HB2 . . 3.190 2.803 2.497 3.138 . 0 0 "[ . 1 . 2]" 1
441 1 43 VAL MG1 1 57 CYS HB3 . . 3.460 3.191 2.831 3.440 . 0 0 "[ . 1 . 2]" 1
442 1 43 VAL MG1 1 57 CYS HG . . 4.780 4.553 4.263 4.778 . 0 0 "[ . 1 . 2]" 1
443 1 43 VAL MG1 1 58 VAL H . . 4.320 3.243 2.789 3.737 . 0 0 "[ . 1 . 2]" 1
444 1 43 VAL MG1 1 58 VAL HA . . 4.110 3.263 2.629 3.832 . 0 0 "[ . 1 . 2]" 1
445 1 43 VAL MG1 1 58 VAL MG2 . . 3.010 1.788 1.629 2.092 . 0 0 "[ . 1 . 2]" 1
446 1 43 VAL MG1 1 61 LEU MD2 . . 4.000 3.724 3.365 4.008 0.008 12 0 "[ . 1 . 2]" 1
447 1 43 VAL MG2 1 44 LYS H . . 4.340 3.932 3.826 4.049 . 0 0 "[ . 1 . 2]" 1
448 1 43 VAL MG2 1 54 GLN HG2 . . 5.340 4.534 3.798 4.996 . 0 0 "[ . 1 . 2]" 1
449 1 43 VAL MG2 1 54 GLN HG3 . . 5.500 4.656 4.066 5.135 . 0 0 "[ . 1 . 2]" 1
450 1 43 VAL MG2 1 57 CYS HB2 . . 4.830 4.232 3.699 4.833 0.003 16 0 "[ . 1 . 2]" 1
451 1 43 VAL MG2 1 57 CYS HB3 . . 4.550 4.071 3.644 4.452 . 0 0 "[ . 1 . 2]" 1
452 1 43 VAL MG2 1 58 VAL H . . 4.780 3.816 3.581 4.220 . 0 0 "[ . 1 . 2]" 1
453 1 43 VAL MG2 1 58 VAL HA . . 3.300 2.167 1.956 2.454 . 0 0 "[ . 1 . 2]" 1
454 1 43 VAL MG2 1 58 VAL HB . . 4.750 4.187 3.934 4.522 . 0 0 "[ . 1 . 2]" 1
455 1 43 VAL MG2 1 58 VAL MG1 . . 4.190 2.890 2.467 3.186 . 0 0 "[ . 1 . 2]" 1
456 1 43 VAL MG2 1 58 VAL MG2 . . 3.100 1.986 1.770 2.354 . 0 0 "[ . 1 . 2]" 1
457 1 43 VAL MG2 1 61 LEU H . . 5.500 4.748 4.470 5.017 . 0 0 "[ . 1 . 2]" 1
458 1 43 VAL MG2 1 61 LEU HB3 . . 4.320 3.209 2.898 3.495 . 0 0 "[ . 1 . 2]" 1
459 1 43 VAL MG2 1 61 LEU MD2 . . 3.280 1.877 1.752 2.004 . 0 0 "[ . 1 . 2]" 1
460 1 44 LYS H 1 44 LYS QB . . 2.960 2.167 2.017 2.265 . 0 0 "[ . 1 . 2]" 1
461 1 44 LYS H 1 44 LYS QG . . 3.780 2.681 2.370 3.631 . 0 0 "[ . 1 . 2]" 1
462 1 44 LYS H 1 45 GLN H . . 3.380 2.775 2.525 2.851 . 0 0 "[ . 1 . 2]" 1
463 1 44 LYS H 1 46 LEU H . . 4.890 4.112 3.961 4.199 . 0 0 "[ . 1 . 2]" 1
464 1 44 LYS H 1 47 ILE MD . . 5.160 4.545 3.932 4.831 . 0 0 "[ . 1 . 2]" 1
465 1 44 LYS H 1 61 LEU MD2 . . 5.500 4.749 4.577 4.881 . 0 0 "[ . 1 . 2]" 1
466 1 44 LYS HA 1 44 LYS QD . . 4.140 3.988 3.805 4.135 . 0 0 "[ . 1 . 2]" 1
467 1 44 LYS HA 1 44 LYS QG . . 3.510 2.266 2.106 2.845 . 0 0 "[ . 1 . 2]" 1
468 1 44 LYS HA 1 47 ILE H . . 3.830 3.261 3.129 3.496 . 0 0 "[ . 1 . 2]" 1
469 1 44 LYS HA 1 47 ILE HB . . 3.100 2.625 2.409 3.102 0.002 15 0 "[ . 1 . 2]" 1
470 1 44 LYS HA 1 47 ILE MD . . 3.030 2.731 1.781 2.995 . 0 0 "[ . 1 . 2]" 1
471 1 44 LYS HA 1 47 ILE MG . . 4.330 3.893 3.686 4.299 . 0 0 "[ . 1 . 2]" 1
472 1 44 LYS QB 1 45 GLN H . . 3.400 2.680 2.503 3.039 . 0 0 "[ . 1 . 2]" 1
473 1 44 LYS QB 1 46 LEU H . . 5.500 4.656 4.528 4.830 . 0 0 "[ . 1 . 2]" 1
474 1 44 LYS QE 1 44 LYS QG . . 2.720 2.200 2.024 2.545 . 0 0 "[ . 1 . 2]" 1
475 1 44 LYS QG 1 45 GLN H . . 5.490 4.194 2.648 4.401 . 0 0 "[ . 1 . 2]" 1
476 1 44 LYS QG 1 47 ILE MD . . 4.220 3.386 3.129 3.561 . 0 0 "[ . 1 . 2]" 1
477 1 45 GLN H 1 45 GLN HB2 . . 3.300 2.074 2.045 2.097 . 0 0 "[ . 1 . 2]" 1
478 1 45 GLN H 1 45 GLN HB3 . . 3.510 3.374 3.330 3.399 . 0 0 "[ . 1 . 2]" 1
479 1 45 GLN H 1 45 GLN HG2 . . 3.800 3.268 3.090 3.540 . 0 0 "[ . 1 . 2]" 1
480 1 45 GLN H 1 45 GLN HG3 . . 3.540 3.671 3.508 3.821 0.281 18 0 "[ . 1 . 2]" 1
481 1 45 GLN H 1 46 LEU H . . 3.430 2.803 2.669 2.879 . 0 0 "[ . 1 . 2]" 1
482 1 45 GLN H 1 47 ILE H . . 5.240 4.391 4.122 4.758 . 0 0 "[ . 1 . 2]" 1
483 1 45 GLN H 1 49 ILE MD . . 4.960 4.636 4.540 4.762 . 0 0 "[ . 1 . 2]" 1
484 1 45 GLN HA 1 45 GLN HB2 . . 3.020 2.935 2.923 2.947 . 0 0 "[ . 1 . 2]" 1
485 1 45 GLN HA 1 45 GLN HB3 . . 3.050 2.817 2.802 2.832 . 0 0 "[ . 1 . 2]" 1
486 1 45 GLN HA 1 45 GLN HG2 . . 3.670 2.124 1.977 2.280 . 0 0 "[ . 1 . 2]" 1
487 1 45 GLN HA 1 45 GLN HG3 . . 3.890 3.434 3.290 3.529 . 0 0 "[ . 1 . 2]" 1
488 1 45 GLN HA 1 47 ILE H . . 5.210 4.564 4.064 5.034 . 0 0 "[ . 1 . 2]" 1
489 1 45 GLN HA 1 48 ASP H . . 3.940 3.478 3.292 3.601 . 0 0 "[ . 1 . 2]" 1
490 1 45 GLN HA 1 48 ASP HB2 . . 3.400 2.599 2.294 3.115 . 0 0 "[ . 1 . 2]" 1
491 1 45 GLN HA 1 48 ASP HB3 . . 3.790 3.554 3.235 3.803 0.013 15 0 "[ . 1 . 2]" 1
492 1 45 GLN HA 1 49 ILE H . . 4.700 3.837 3.626 4.142 . 0 0 "[ . 1 . 2]" 1
493 1 45 GLN HA 1 49 ILE MD . . 4.230 3.297 3.166 3.388 . 0 0 "[ . 1 . 2]" 1
494 1 45 GLN HA 1 49 ILE HG13 . . 5.500 3.756 3.474 4.069 . 0 0 "[ . 1 . 2]" 1
495 1 45 GLN HB2 1 46 LEU H . . 3.690 3.119 3.059 3.258 . 0 0 "[ . 1 . 2]" 1
496 1 45 GLN HB2 1 49 ILE MD . . 4.590 3.539 3.436 3.734 . 0 0 "[ . 1 . 2]" 1
497 1 45 GLN HB2 1 68 VAL MG1 . . 4.660 3.676 3.217 4.263 . 0 0 "[ . 1 . 2]" 1
498 1 45 GLN HB2 1 68 VAL MG2 . . 4.330 2.644 2.143 3.331 . 0 0 "[ . 1 . 2]" 1
499 1 45 GLN HB3 1 46 LEU H . . 3.940 3.246 3.147 3.371 . 0 0 "[ . 1 . 2]" 1
500 1 45 GLN HB3 1 46 LEU HG . . 4.270 4.093 3.933 4.291 0.021 14 0 "[ . 1 . 2]" 1
501 1 45 GLN HB3 1 49 ILE MD . . 3.850 2.029 1.934 2.295 . 0 0 "[ . 1 . 2]" 1
502 1 45 GLN HB3 1 68 VAL MG1 . . 4.250 2.529 1.989 3.183 . 0 0 "[ . 1 . 2]" 1
503 1 45 GLN HB3 1 68 VAL MG2 . . 4.690 2.544 2.095 3.093 . 0 0 "[ . 1 . 2]" 1
504 1 45 GLN HE21 1 49 ILE MD . . 5.430 3.302 2.702 3.759 . 0 0 "[ . 1 . 2]" 1
505 1 45 GLN HG2 1 49 ILE MD . . 3.650 3.744 3.608 3.927 0.277 19 0 "[ . 1 . 2]" 1
506 1 45 GLN HG3 1 46 LEU H . . 5.500 5.254 5.190 5.318 . 0 0 "[ . 1 . 2]" 1
507 1 45 GLN HG3 1 49 ILE MD . . 4.100 3.847 3.648 4.109 0.009 14 0 "[ . 1 . 2]" 1
508 1 45 GLN HG3 1 68 VAL MG1 . . 5.400 4.391 3.904 5.312 . 0 0 "[ . 1 . 2]" 1
509 1 46 LEU H 1 46 LEU HB2 . . 3.130 2.156 2.089 2.261 . 0 0 "[ . 1 . 2]" 1
510 1 46 LEU H 1 46 LEU HB3 . . 3.760 3.449 3.402 3.500 . 0 0 "[ . 1 . 2]" 1
511 1 46 LEU H 1 46 LEU MD1 . . 4.810 3.602 3.299 3.772 . 0 0 "[ . 1 . 2]" 1
512 1 46 LEU H 1 46 LEU MD2 . . 4.320 3.875 3.764 4.007 . 0 0 "[ . 1 . 2]" 1
513 1 46 LEU H 1 46 LEU HG . . 3.180 2.817 2.558 3.018 . 0 0 "[ . 1 . 2]" 1
514 1 46 LEU H 1 47 ILE H . . 3.700 2.701 2.559 2.869 . 0 0 "[ . 1 . 2]" 1
515 1 46 LEU H 1 48 ASP H . . 4.500 4.142 3.709 4.546 0.046 15 0 "[ . 1 . 2]" 1
516 1 46 LEU H 1 49 ILE MD . . 3.780 3.666 3.470 3.797 0.017 13 0 "[ . 1 . 2]" 1
517 1 46 LEU HA 1 46 LEU MD2 . . 2.810 2.070 1.947 2.365 . 0 0 "[ . 1 . 2]" 1
518 1 46 LEU HA 1 46 LEU HG . . 3.590 2.710 2.560 2.797 . 0 0 "[ . 1 . 2]" 1
519 1 46 LEU HA 1 48 ASP H . . 5.110 4.536 3.762 4.990 . 0 0 "[ . 1 . 2]" 1
520 1 46 LEU HA 1 49 ILE H . . 4.480 3.292 2.826 3.548 . 0 0 "[ . 1 . 2]" 1
521 1 46 LEU HA 1 49 ILE HB . . 3.240 2.352 2.137 2.590 . 0 0 "[ . 1 . 2]" 1
522 1 46 LEU HA 1 49 ILE MD . . 3.650 2.375 2.038 2.565 . 0 0 "[ . 1 . 2]" 1
523 1 46 LEU HA 1 50 THR H . . 3.910 3.126 2.760 3.386 . 0 0 "[ . 1 . 2]" 1
524 1 46 LEU HA 1 50 THR MG . . 3.720 3.254 2.956 3.747 0.027 20 0 "[ . 1 . 2]" 1
525 1 46 LEU HA 1 72 ILE MD . . 4.290 3.677 3.244 4.101 . 0 0 "[ . 1 . 2]" 1
526 1 46 LEU HA 1 72 ILE HG12 . . 5.500 4.260 3.831 4.765 . 0 0 "[ . 1 . 2]" 1
527 1 46 LEU HA 1 75 LEU MD1 . . 5.000 3.953 3.715 4.294 . 0 0 "[ . 1 . 2]" 1
528 1 46 LEU HB2 1 46 LEU MD1 . . 3.150 2.266 2.024 2.360 . 0 0 "[ . 1 . 2]" 1
529 1 46 LEU HB2 1 47 ILE H . . 3.720 2.758 2.445 3.100 . 0 0 "[ . 1 . 2]" 1
530 1 46 LEU HB2 1 57 CYS HB2 . . 4.200 4.003 3.718 4.189 . 0 0 "[ . 1 . 2]" 1
531 1 46 LEU HB2 1 57 CYS HB3 . . 3.320 2.591 2.308 2.824 . 0 0 "[ . 1 . 2]" 1
532 1 46 LEU HB2 1 75 LEU MD1 . . 4.070 3.808 3.507 4.073 0.003 17 0 "[ . 1 . 2]" 1
533 1 46 LEU HB3 1 46 LEU MD2 . . 3.030 2.337 2.226 2.405 . 0 0 "[ . 1 . 2]" 1
534 1 46 LEU HB3 1 47 ILE H . . 4.410 3.306 2.965 3.538 . 0 0 "[ . 1 . 2]" 1
535 1 46 LEU HB3 1 57 CYS HA . . 4.220 3.944 3.583 4.224 0.004 20 0 "[ . 1 . 2]" 1
536 1 46 LEU HB3 1 57 CYS HB2 . . 4.220 4.103 3.885 4.227 0.007 12 0 "[ . 1 . 2]" 1
537 1 46 LEU HB3 1 57 CYS HB3 . . 3.910 2.622 2.288 3.011 . 0 0 "[ . 1 . 2]" 1
538 1 46 LEU HB3 1 75 LEU MD1 . . 3.590 2.556 2.258 2.879 . 0 0 "[ . 1 . 2]" 1
539 1 46 LEU MD1 1 57 CYS HA . . 4.500 3.034 2.717 3.600 . 0 0 "[ . 1 . 2]" 1
540 1 46 LEU MD1 1 57 CYS HB3 . . 4.070 2.357 2.115 2.587 . 0 0 "[ . 1 . 2]" 1
541 1 46 LEU MD1 1 60 ALA MB . . 5.130 3.261 2.892 3.684 . 0 0 "[ . 1 . 2]" 1
542 1 46 LEU MD1 1 61 LEU H . . 4.610 3.028 2.784 3.318 . 0 0 "[ . 1 . 2]" 1
543 1 46 LEU MD1 1 61 LEU HA . . 4.450 3.007 2.691 3.325 . 0 0 "[ . 1 . 2]" 1
544 1 46 LEU MD1 1 61 LEU HB2 . . 3.620 1.981 1.832 2.257 . 0 0 "[ . 1 . 2]" 1
545 1 46 LEU MD1 1 61 LEU HB3 . . 4.170 3.344 3.152 3.602 . 0 0 "[ . 1 . 2]" 1
546 1 46 LEU MD1 1 61 LEU MD1 . . 3.380 2.012 1.885 2.149 . 0 0 "[ . 1 . 2]" 1
547 1 46 LEU MD1 1 61 LEU MD2 . . 3.570 2.142 1.918 2.597 . 0 0 "[ . 1 . 2]" 1
548 1 46 LEU MD1 1 61 LEU HG . . 4.840 3.839 3.687 4.141 . 0 0 "[ . 1 . 2]" 1
549 1 46 LEU MD1 1 68 VAL HA . . 3.570 2.674 2.377 2.872 . 0 0 "[ . 1 . 2]" 1
550 1 46 LEU MD1 1 71 ALA MB . . 2.790 2.005 1.822 2.347 . 0 0 "[ . 1 . 2]" 1
551 1 46 LEU MD2 1 50 THR MG . . 2.820 2.385 1.974 2.778 . 0 0 "[ . 1 . 2]" 1
552 1 46 LEU MD2 1 57 CYS HA . . 4.740 4.366 4.044 4.677 . 0 0 "[ . 1 . 2]" 1
553 1 46 LEU MD2 1 68 VAL HA . . 4.100 2.562 2.067 2.977 . 0 0 "[ . 1 . 2]" 1
554 1 46 LEU MD2 1 71 ALA H . . 5.050 4.029 3.755 4.430 . 0 0 "[ . 1 . 2]" 1
555 1 46 LEU MD2 1 71 ALA MB . . 2.850 1.968 1.724 2.360 . 0 0 "[ . 1 . 2]" 1
556 1 46 LEU MD2 1 72 ILE H . . 3.940 2.736 2.527 3.048 . 0 0 "[ . 1 . 2]" 1
557 1 46 LEU MD2 1 72 ILE HA . . 3.760 3.078 2.900 3.248 . 0 0 "[ . 1 . 2]" 1
558 1 46 LEU MD2 1 72 ILE HG12 . . 3.340 2.879 2.747 2.987 . 0 0 "[ . 1 . 2]" 1
559 1 46 LEU MD2 1 72 ILE HG13 . . 2.890 1.858 1.806 1.916 . 0 0 "[ . 1 . 2]" 1
560 1 46 LEU HG 1 68 VAL MG2 . . 4.070 2.244 1.981 2.442 . 0 0 "[ . 1 . 2]" 1
561 1 47 ILE H 1 47 ILE HB . . 2.880 2.204 2.124 2.466 . 0 0 "[ . 1 . 2]" 1
562 1 47 ILE H 1 47 ILE MD . . 3.580 3.395 3.063 3.589 0.009 3 0 "[ . 1 . 2]" 1
563 1 47 ILE H 1 47 ILE HG12 . . 3.880 3.819 3.392 3.908 0.028 13 0 "[ . 1 . 2]" 1
564 1 47 ILE H 1 47 ILE HG13 . . 3.350 2.534 1.941 2.696 . 0 0 "[ . 1 . 2]" 1
565 1 47 ILE H 1 47 ILE MG . . 3.520 3.615 3.569 3.712 0.192 15 0 "[ . 1 . 2]" 1
566 1 47 ILE H 1 48 ASP H . . 3.680 2.767 2.613 2.825 . 0 0 "[ . 1 . 2]" 1
567 1 47 ILE H 1 49 ILE H . . 5.010 3.983 3.727 4.272 . 0 0 "[ . 1 . 2]" 1
568 1 47 ILE H 1 51 GLY H . . 5.500 4.656 4.405 4.917 . 0 0 "[ . 1 . 2]" 1
569 1 47 ILE HA 1 47 ILE HG12 . . 3.000 2.556 2.425 2.772 . 0 0 "[ . 1 . 2]" 1
570 1 47 ILE HA 1 47 ILE HG13 . . 3.060 2.580 2.422 2.867 . 0 0 "[ . 1 . 2]" 1
571 1 47 ILE HA 1 47 ILE MG . . 3.090 2.622 2.294 2.691 . 0 0 "[ . 1 . 2]" 1
572 1 47 ILE HA 1 50 THR H . . 4.930 4.022 3.820 4.419 . 0 0 "[ . 1 . 2]" 1
573 1 47 ILE HA 1 50 THR HG1 . . 3.760 3.121 2.775 3.496 . 0 0 "[ . 1 . 2]" 1
574 1 47 ILE HA 1 51 GLY H . . 3.680 2.368 2.059 2.757 . 0 0 "[ . 1 . 2]" 1
575 1 47 ILE HA 1 52 LYS H . . 4.090 3.266 2.903 3.851 . 0 0 "[ . 1 . 2]" 1
576 1 47 ILE HA 1 52 LYS HB2 . . 5.500 4.894 4.669 5.163 . 0 0 "[ . 1 . 2]" 1
577 1 47 ILE HA 1 57 CYS HG . . 4.550 3.973 3.101 4.469 . 0 0 "[ . 1 . 2]" 1
578 1 47 ILE HB 1 47 ILE MD . . 3.070 2.237 2.011 2.333 . 0 0 "[ . 1 . 2]" 1
579 1 47 ILE HB 1 48 ASP H . . 3.360 2.777 2.323 3.183 . 0 0 "[ . 1 . 2]" 1
580 1 47 ILE HB 1 48 ASP HA . . 4.660 4.622 4.217 4.700 0.040 16 0 "[ . 1 . 2]" 1
581 1 47 ILE MD 1 48 ASP H . . 4.720 4.555 3.987 4.743 0.023 13 0 "[ . 1 . 2]" 1
582 1 47 ILE MD 1 54 GLN H . . 5.240 3.057 2.534 3.599 . 0 0 "[ . 1 . 2]" 1
583 1 47 ILE MD 1 54 GLN HA . . 3.040 2.085 1.812 2.910 . 0 0 "[ . 1 . 2]" 1
584 1 47 ILE MD 1 54 GLN HB2 . . 3.350 1.990 1.913 2.086 . 0 0 "[ . 1 . 2]" 1
585 1 47 ILE MD 1 54 GLN HB3 . . 3.480 3.345 3.300 3.387 . 0 0 "[ . 1 . 2]" 1
586 1 47 ILE MD 1 54 GLN HG2 . . 3.250 3.262 3.094 3.546 0.296 18 0 "[ . 1 . 2]" 1
587 1 47 ILE MD 1 54 GLN HG3 . . 4.460 1.940 1.862 2.223 . 0 0 "[ . 1 . 2]" 1
588 1 47 ILE MD 1 57 CYS HB2 . . 5.020 3.566 2.903 3.966 . 0 0 "[ . 1 . 2]" 1
589 1 47 ILE MD 1 57 CYS HG . . 4.640 3.651 3.267 4.414 . 0 0 "[ . 1 . 2]" 1
590 1 47 ILE HG12 1 54 GLN HA . . 3.360 3.098 2.431 3.311 . 0 0 "[ . 1 . 2]" 1
591 1 47 ILE HG13 1 54 GLN HA . . 4.310 2.907 2.789 3.036 . 0 0 "[ . 1 . 2]" 1
592 1 47 ILE HG13 1 57 CYS HB2 . . 5.200 3.180 2.628 3.610 . 0 0 "[ . 1 . 2]" 1
593 1 47 ILE HG13 1 57 CYS HB3 . . 4.320 3.561 3.193 3.971 . 0 0 "[ . 1 . 2]" 1
594 1 47 ILE MG 1 48 ASP H . . 4.030 2.950 2.490 3.549 . 0 0 "[ . 1 . 2]" 1
595 1 47 ILE MG 1 48 ASP HA . . 4.030 3.048 2.791 3.512 . 0 0 "[ . 1 . 2]" 1
596 1 47 ILE MG 1 51 GLY H . . 5.430 4.114 3.583 4.450 . 0 0 "[ . 1 . 2]" 1
597 1 48 ASP H 1 48 ASP HB2 . . 3.150 2.047 2.011 2.140 . 0 0 "[ . 1 . 2]" 1
598 1 48 ASP H 1 48 ASP HB3 . . 3.360 3.245 3.039 3.356 . 0 0 "[ . 1 . 2]" 1
599 1 48 ASP H 1 49 ILE H . . 3.600 2.603 2.227 2.836 . 0 0 "[ . 1 . 2]" 1
600 1 48 ASP H 1 49 ILE MD . . 5.500 4.718 4.241 5.050 . 0 0 "[ . 1 . 2]" 1
601 1 48 ASP H 1 51 GLY H . . 5.500 5.057 4.931 5.140 . 0 0 "[ . 1 . 2]" 1
602 1 48 ASP HB2 1 49 ILE H . . 3.810 3.087 2.835 3.385 . 0 0 "[ . 1 . 2]" 1
603 1 48 ASP HB2 1 49 ILE HG13 . . 4.220 3.912 3.792 4.226 0.006 14 0 "[ . 1 . 2]" 1
604 1 48 ASP HB3 1 49 ILE H . . 3.490 3.005 2.867 3.158 . 0 0 "[ . 1 . 2]" 1
605 1 48 ASP HB3 1 49 ILE HA . . 5.000 3.820 3.767 3.880 . 0 0 "[ . 1 . 2]" 1
606 1 48 ASP HB3 1 49 ILE HG13 . . 4.560 3.140 2.780 3.407 . 0 0 "[ . 1 . 2]" 1
607 1 49 ILE H 1 49 ILE HB . . 3.030 2.290 2.240 2.368 . 0 0 "[ . 1 . 2]" 1
608 1 49 ILE H 1 49 ILE MD . . 3.850 3.178 2.910 3.356 . 0 0 "[ . 1 . 2]" 1
609 1 49 ILE H 1 49 ILE HG12 . . 3.810 3.838 3.816 3.861 0.051 20 0 "[ . 1 . 2]" 1
610 1 49 ILE H 1 49 ILE HG13 . . 3.190 2.466 2.425 2.499 . 0 0 "[ . 1 . 2]" 1
611 1 49 ILE H 1 49 ILE MG . . 3.730 3.676 3.652 3.716 . 0 0 "[ . 1 . 2]" 1
612 1 49 ILE H 1 50 THR HG1 . . 4.680 4.071 3.573 4.372 . 0 0 "[ . 1 . 2]" 1
613 1 49 ILE H 1 50 THR MG . . 4.870 4.400 4.165 4.926 0.056 20 0 "[ . 1 . 2]" 1
614 1 49 ILE HA 1 49 ILE HG12 . . 3.100 2.747 2.632 2.889 . 0 0 "[ . 1 . 2]" 1
615 1 49 ILE HA 1 49 ILE HG13 . . 3.150 2.579 2.478 2.626 . 0 0 "[ . 1 . 2]" 1
616 1 49 ILE HA 1 49 ILE MG . . 2.980 2.541 2.464 2.586 . 0 0 "[ . 1 . 2]" 1
617 1 49 ILE HB 1 49 ILE MD . . 3.230 2.036 1.975 2.091 . 0 0 "[ . 1 . 2]" 1
618 1 49 ILE HB 1 50 THR H . . 3.390 2.234 2.134 2.301 . 0 0 "[ . 1 . 2]" 1
619 1 49 ILE HB 1 50 THR HG1 . . 4.560 3.679 3.588 3.792 . 0 0 "[ . 1 . 2]" 1
620 1 49 ILE HB 1 50 THR MG . . 3.700 3.003 2.735 3.678 . 0 0 "[ . 1 . 2]" 1
621 1 49 ILE HB 1 51 GLY H . . 5.170 4.994 4.812 5.319 0.149 18 0 "[ . 1 . 2]" 1
622 1 49 ILE HB 1 72 ILE HG12 . . 5.240 3.743 3.271 4.260 . 0 0 "[ . 1 . 2]" 1
623 1 49 ILE HG12 1 49 ILE MG . . 3.000 2.246 2.196 2.287 . 0 0 "[ . 1 . 2]" 1
624 1 49 ILE HG13 1 49 ILE MG . . 3.210 3.185 3.135 3.213 0.003 2 0 "[ . 1 . 2]" 1
625 1 49 ILE MG 1 50 THR H . . 3.700 2.660 2.542 2.807 . 0 0 "[ . 1 . 2]" 1
626 1 49 ILE MG 1 50 THR HA . . 3.130 3.165 3.137 3.195 0.065 20 0 "[ . 1 . 2]" 1
627 1 49 ILE MG 1 50 THR MG . . 3.620 2.361 1.933 3.157 . 0 0 "[ . 1 . 2]" 1
628 1 49 ILE MG 1 72 ILE HG12 . . 4.570 2.297 1.932 3.000 . 0 0 "[ . 1 . 2]" 1
629 1 50 THR H 1 50 THR HG1 . . 3.000 1.907 1.882 1.923 . 0 0 "[ . 1 . 2]" 1
630 1 50 THR H 1 50 THR MG . . 3.160 2.120 1.900 2.673 . 0 0 "[ . 1 . 2]" 1
631 1 50 THR H 1 52 LYS H . . 4.870 4.556 4.362 4.859 . 0 0 "[ . 1 . 2]" 1
632 1 50 THR HA 1 50 THR HB . . 2.820 2.514 2.433 2.735 . 0 0 "[ . 1 . 2]" 1
633 1 50 THR HA 1 50 THR MG . . 3.170 2.446 2.096 2.596 . 0 0 "[ . 1 . 2]" 1
634 1 50 THR HA 1 52 LYS H . . 4.930 4.711 4.450 4.904 . 0 0 "[ . 1 . 2]" 1
635 1 50 THR HB 1 51 GLY H . . 3.310 3.037 2.303 3.331 0.021 2 0 "[ . 1 . 2]" 1
636 1 50 THR HB 1 52 LYS H . . 3.680 3.181 2.264 3.572 . 0 0 "[ . 1 . 2]" 1
637 1 50 THR HB 1 52 LYS HB2 . . 4.540 4.174 3.438 4.523 . 0 0 "[ . 1 . 2]" 1
638 1 50 THR HB 1 52 LYS HE3 . . 4.920 4.431 3.929 5.687 0.767 19 1 "[ . 1 . +2]" 1
639 1 50 THR HB 1 52 LYS HG2 . . 3.600 2.619 2.405 2.998 . 0 0 "[ . 1 . 2]" 1
640 1 50 THR HB 1 52 LYS HG3 . . 3.810 3.225 2.974 3.381 . 0 0 "[ . 1 . 2]" 1
641 1 50 THR HG1 1 50 THR MG . . 2.750 2.227 1.931 2.987 0.237 20 0 "[ . 1 . 2]" 1
642 1 50 THR HG1 1 51 GLY H . . 4.270 2.030 1.843 2.191 . 0 0 "[ . 1 . 2]" 1
643 1 50 THR HG1 1 52 LYS H . . 3.320 3.140 2.925 3.343 0.023 13 0 "[ . 1 . 2]" 1
644 1 50 THR HG1 1 75 LEU MD1 . . 4.310 3.150 2.946 3.618 . 0 0 "[ . 1 . 2]" 1
645 1 50 THR MG 1 51 GLY H . . 4.460 3.564 3.482 3.776 . 0 0 "[ . 1 . 2]" 1
646 1 50 THR MG 1 52 LYS H . . 4.570 4.112 3.965 4.266 . 0 0 "[ . 1 . 2]" 1
647 1 50 THR MG 1 72 ILE HA . . 3.210 2.666 2.203 2.949 . 0 0 "[ . 1 . 2]" 1
648 1 50 THR MG 1 72 ILE MD . . 4.120 3.401 3.232 3.914 . 0 0 "[ . 1 . 2]" 1
649 1 50 THR MG 1 72 ILE HG12 . . 3.670 2.205 1.922 2.674 . 0 0 "[ . 1 . 2]" 1
650 1 50 THR MG 1 72 ILE MG . . 3.560 2.815 2.344 3.078 . 0 0 "[ . 1 . 2]" 1
651 1 50 THR MG 1 75 LEU HB2 . . 3.310 2.683 1.960 3.314 0.004 6 0 "[ . 1 . 2]" 1
652 1 50 THR MG 1 75 LEU MD1 . . 2.890 2.149 1.788 2.577 . 0 0 "[ . 1 . 2]" 1
653 1 50 THR MG 1 76 LEU H . . 4.590 3.866 3.452 4.296 . 0 0 "[ . 1 . 2]" 1
654 1 50 THR MG 1 76 LEU HG . . 3.490 3.206 2.742 3.498 0.008 15 0 "[ . 1 . 2]" 1
655 1 51 GLY H 1 52 LYS H . . 3.410 1.938 1.895 2.006 . 0 0 "[ . 1 . 2]" 1
656 1 51 GLY H 1 75 LEU MD1 . . 4.440 4.435 4.351 4.458 0.018 15 0 "[ . 1 . 2]" 1
657 1 51 GLY HA3 1 52 LYS HA . . 4.970 4.514 4.443 4.553 . 0 0 "[ . 1 . 2]" 1
658 1 52 LYS H 1 52 LYS HB2 . . 3.310 2.473 2.394 2.586 . 0 0 "[ . 1 . 2]" 1
659 1 52 LYS H 1 52 LYS HB3 . . 3.640 3.569 3.540 3.599 . 0 0 "[ . 1 . 2]" 1
660 1 52 LYS H 1 52 LYS QD . . 3.880 3.748 3.600 3.881 0.001 3 0 "[ . 1 . 2]" 1
661 1 52 LYS H 1 52 LYS HG2 . . 3.380 2.198 1.952 2.435 . 0 0 "[ . 1 . 2]" 1
662 1 52 LYS H 1 52 LYS HG3 . . 3.830 3.377 3.045 3.587 . 0 0 "[ . 1 . 2]" 1
663 1 52 LYS H 1 53 ASN H . . 4.880 4.536 4.231 4.636 . 0 0 "[ . 1 . 2]" 1
664 1 52 LYS H 1 57 CYS HG . . 5.500 3.929 2.877 4.360 . 0 0 "[ . 1 . 2]" 1
665 1 52 LYS H 1 75 LEU MD1 . . 4.490 4.197 4.043 4.427 . 0 0 "[ . 1 . 2]" 1
666 1 52 LYS H 1 75 LEU MD2 . . 4.680 3.747 3.490 4.014 . 0 0 "[ . 1 . 2]" 1
667 1 52 LYS HA 1 52 LYS QD . . 3.030 2.389 2.235 2.594 . 0 0 "[ . 1 . 2]" 1
668 1 52 LYS HA 1 52 LYS HE2 . . 4.970 4.799 4.606 5.098 0.128 15 0 "[ . 1 . 2]" 1
669 1 52 LYS HA 1 52 LYS HG2 . . 3.840 2.835 2.682 2.950 . 0 0 "[ . 1 . 2]" 1
670 1 52 LYS HA 1 52 LYS HG3 . . 4.160 3.764 3.726 3.837 . 0 0 "[ . 1 . 2]" 1
671 1 52 LYS HA 1 53 ASN H . . 3.050 2.652 2.444 3.024 . 0 0 "[ . 1 . 2]" 1
672 1 52 LYS HA 1 53 ASN HB2 . . 5.170 5.051 4.718 5.172 0.002 10 0 "[ . 1 . 2]" 1
673 1 52 LYS HB2 1 53 ASN H . . 3.680 3.285 2.431 3.682 0.002 12 0 "[ . 1 . 2]" 1
674 1 52 LYS HB2 1 56 GLU HB2 . . 4.480 3.771 3.227 4.128 . 0 0 "[ . 1 . 2]" 1
675 1 52 LYS HB2 1 57 CYS HG . . 4.440 3.179 2.762 3.550 . 0 0 "[ . 1 . 2]" 1
676 1 52 LYS HB2 1 75 LEU MD1 . . 4.880 3.486 3.243 3.987 . 0 0 "[ . 1 . 2]" 1
677 1 52 LYS HB2 1 75 LEU MD2 . . 4.220 2.094 1.849 2.550 . 0 0 "[ . 1 . 2]" 1
678 1 52 LYS HB3 1 53 ASN H . . 3.360 2.226 1.963 2.567 . 0 0 "[ . 1 . 2]" 1
679 1 52 LYS HB3 1 56 GLU HB2 . . 4.090 3.325 2.749 3.712 . 0 0 "[ . 1 . 2]" 1
680 1 52 LYS HB3 1 57 CYS HG . . 4.390 4.258 3.947 4.393 0.003 9 0 "[ . 1 . 2]" 1
681 1 52 LYS HB3 1 75 LEU MD2 . . 3.320 2.874 2.481 3.323 0.003 16 0 "[ . 1 . 2]" 1
682 1 52 LYS QD 1 53 ASN H . . 4.050 3.466 3.251 3.848 . 0 0 "[ . 1 . 2]" 1
683 1 52 LYS QD 1 75 LEU MD2 . . 3.690 3.585 3.337 3.691 0.001 13 0 "[ . 1 . 2]" 1
684 1 52 LYS HE2 1 52 LYS HG2 . . 3.440 3.191 2.994 3.419 . 0 0 "[ . 1 . 2]" 1
685 1 52 LYS HE2 1 52 LYS HG3 . . 3.640 3.077 2.465 3.519 . 0 0 "[ . 1 . 2]" 1
686 1 52 LYS HE2 1 75 LEU MD2 . . 5.130 4.431 3.411 4.854 . 0 0 "[ . 1 . 2]" 1
687 1 52 LYS HE3 1 52 LYS HG2 . . 3.640 3.126 2.709 3.640 . 4 0 "[ . 1 . 2]" 1
688 1 52 LYS HE3 1 52 LYS HG3 . . 3.160 2.149 2.032 2.469 . 0 0 "[ . 1 . 2]" 1
689 1 52 LYS HE3 1 75 LEU HA . . 5.050 4.147 3.389 4.692 . 0 0 "[ . 1 . 2]" 1
690 1 52 LYS HE3 1 75 LEU MD2 . . 3.460 3.200 2.271 3.461 0.001 11 0 "[ . 1 . 2]" 1
691 1 52 LYS HG2 1 53 ASN H . . 5.250 4.731 4.545 4.881 . 0 0 "[ . 1 . 2]" 1
692 1 52 LYS HG2 1 75 LEU MD2 . . 3.650 3.286 2.949 3.572 . 0 0 "[ . 1 . 2]" 1
693 1 52 LYS HG3 1 53 ASN H . . 5.170 4.774 4.371 5.025 . 0 0 "[ . 1 . 2]" 1
694 1 52 LYS HG3 1 75 LEU HB3 . . 4.050 2.792 2.305 3.291 . 0 0 "[ . 1 . 2]" 1
695 1 52 LYS HG3 1 75 LEU MD2 . . 3.390 2.018 1.816 2.277 . 0 0 "[ . 1 . 2]" 1
696 1 53 ASN H 1 53 ASN HB2 . . 3.550 2.469 2.187 2.693 . 0 0 "[ . 1 . 2]" 1
697 1 53 ASN H 1 53 ASN HB3 . . 3.690 3.546 3.457 3.607 . 0 0 "[ . 1 . 2]" 1
698 1 53 ASN H 1 53 ASN HD21 . . 4.970 3.970 3.263 4.673 . 0 0 "[ . 1 . 2]" 1
699 1 53 ASN H 1 54 GLN H . . 5.500 4.534 4.463 4.632 . 0 0 "[ . 1 . 2]" 1
700 1 53 ASN H 1 56 GLU H . . 5.040 4.493 4.018 4.905 . 0 0 "[ . 1 . 2]" 1
701 1 53 ASN H 1 56 GLU HB2 . . 4.030 3.084 2.480 3.431 . 0 0 "[ . 1 . 2]" 1
702 1 53 ASN H 1 56 GLU HB3 . . 4.780 4.420 3.869 4.770 . 0 0 "[ . 1 . 2]" 1
703 1 53 ASN H 1 56 GLU HG2 . . 5.030 4.796 4.195 5.032 0.002 7 0 "[ . 1 . 2]" 1
704 1 53 ASN H 1 56 GLU HG3 . . 5.220 3.516 2.791 3.873 . 0 0 "[ . 1 . 2]" 1
705 1 53 ASN H 1 57 CYS H . . 5.360 4.602 3.896 5.029 . 0 0 "[ . 1 . 2]" 1
706 1 53 ASN H 1 75 LEU MD2 . . 5.500 4.405 3.799 4.794 . 0 0 "[ . 1 . 2]" 1
707 1 53 ASN HA 1 54 GLN H . . 3.600 2.304 2.252 2.494 . 0 0 "[ . 1 . 2]" 1
708 1 53 ASN HA 1 54 GLN HB2 . . 5.500 4.508 4.414 4.613 . 0 0 "[ . 1 . 2]" 1
709 1 53 ASN HB2 1 54 GLN H . . 4.460 4.243 3.853 4.419 . 0 0 "[ . 1 . 2]" 1
710 1 53 ASN HB2 1 55 ASP H . . 4.470 4.362 4.131 4.472 0.002 15 0 "[ . 1 . 2]" 1
711 1 53 ASN HB2 1 56 GLU H . . 4.610 2.645 2.381 3.021 . 0 0 "[ . 1 . 2]" 1
712 1 53 ASN HB2 1 56 GLU HG3 . . 4.760 2.099 1.999 2.358 . 0 0 "[ . 1 . 2]" 1
713 1 53 ASN HB3 1 53 ASN HD22 . . 4.000 3.687 3.446 3.969 . 0 0 "[ . 1 . 2]" 1
714 1 53 ASN HB3 1 54 GLN H . . 4.590 3.322 2.568 3.634 . 0 0 "[ . 1 . 2]" 1
715 1 53 ASN HB3 1 55 ASP H . . 4.280 3.343 3.079 3.507 . 0 0 "[ . 1 . 2]" 1
716 1 53 ASN HB3 1 56 GLU H . . 4.620 2.991 2.764 3.304 . 0 0 "[ . 1 . 2]" 1
717 1 53 ASN HB3 1 56 GLU HG2 . . 4.850 3.718 3.190 4.216 . 0 0 "[ . 1 . 2]" 1
718 1 53 ASN HB3 1 56 GLU HG3 . . 4.790 3.592 3.353 3.946 . 0 0 "[ . 1 . 2]" 1
719 1 53 ASN HD22 1 56 GLU HG3 . . 5.350 4.383 3.467 5.218 . 0 0 "[ . 1 . 2]" 1
720 1 54 GLN H 1 54 GLN HB2 . . 3.830 2.267 2.188 2.377 . 0 0 "[ . 1 . 2]" 1
721 1 54 GLN H 1 54 GLN HB3 . . 4.000 2.753 2.608 2.870 . 0 0 "[ . 1 . 2]" 1
722 1 54 GLN H 1 54 GLN HG2 . . 5.420 4.521 4.419 4.593 . 0 0 "[ . 1 . 2]" 1
723 1 54 GLN H 1 55 ASP H . . 4.860 3.111 2.941 3.228 . 0 0 "[ . 1 . 2]" 1
724 1 54 GLN HA 1 54 GLN HG2 . . 2.990 3.029 2.739 3.299 0.309 14 0 "[ . 1 . 2]" 1
725 1 54 GLN HA 1 54 GLN HG3 . . 3.780 2.426 2.226 2.691 . 0 0 "[ . 1 . 2]" 1
726 1 54 GLN HA 1 57 CYS H . . 4.360 3.304 3.085 3.465 . 0 0 "[ . 1 . 2]" 1
727 1 54 GLN HA 1 57 CYS HB2 . . 3.530 2.472 2.125 2.778 . 0 0 "[ . 1 . 2]" 1
728 1 54 GLN HA 1 57 CYS HB3 . . 4.350 4.028 3.709 4.237 . 0 0 "[ . 1 . 2]" 1
729 1 54 GLN HA 1 57 CYS HG . . 4.480 2.590 2.129 3.358 . 0 0 "[ . 1 . 2]" 1
730 1 54 GLN HA 1 58 VAL H . . 4.840 3.875 3.423 4.204 . 0 0 "[ . 1 . 2]" 1
731 1 54 GLN HA 1 58 VAL MG2 . . 4.610 3.689 3.245 4.128 . 0 0 "[ . 1 . 2]" 1
732 1 54 GLN HB2 1 55 ASP H . . 4.520 3.624 3.509 3.680 . 0 0 "[ . 1 . 2]" 1
733 1 54 GLN HB3 1 54 GLN HG2 . . 2.660 2.477 2.365 2.645 . 0 0 "[ . 1 . 2]" 1
734 1 54 GLN HB3 1 55 ASP H . . 3.650 2.258 2.166 2.388 . 0 0 "[ . 1 . 2]" 1
735 1 54 GLN HE21 1 58 VAL MG2 . . 5.110 3.250 2.287 4.579 . 0 0 "[ . 1 . 2]" 1
736 1 54 GLN HE22 1 58 VAL MG2 . . 5.500 4.505 3.762 5.241 . 0 0 "[ . 1 . 2]" 1
737 1 54 GLN HG2 1 55 ASP H . . 4.750 3.735 3.329 3.961 . 0 0 "[ . 1 . 2]" 1
738 1 54 GLN HG2 1 55 ASP HA . . 5.500 3.857 3.431 4.080 . 0 0 "[ . 1 . 2]" 1
739 1 54 GLN HG2 1 58 VAL MG2 . . 3.970 2.359 1.966 2.902 . 0 0 "[ . 1 . 2]" 1
740 1 54 GLN HG3 1 55 ASP H . . 4.640 4.628 4.428 4.751 0.111 1 0 "[ . 1 . 2]" 1
741 1 54 GLN HG3 1 58 VAL MG2 . . 3.550 3.197 2.534 3.729 0.179 9 0 "[ . 1 . 2]" 1
742 1 55 ASP H 1 55 ASP QB . . 3.140 2.495 2.136 2.781 . 0 0 "[ . 1 . 2]" 1
743 1 55 ASP H 1 56 GLU H . . 3.380 3.013 2.900 3.140 . 0 0 "[ . 1 . 2]" 1
744 1 55 ASP H 1 57 CYS H . . 4.590 4.322 4.144 4.499 . 0 0 "[ . 1 . 2]" 1
745 1 55 ASP H 1 58 VAL H . . 5.150 4.650 4.551 4.767 . 0 0 "[ . 1 . 2]" 1
746 1 55 ASP H 1 58 VAL MG2 . . 5.430 4.222 3.890 4.592 . 0 0 "[ . 1 . 2]" 1
747 1 55 ASP HA 1 58 VAL H . . 4.100 3.567 3.362 3.906 . 0 0 "[ . 1 . 2]" 1
748 1 55 ASP HA 1 58 VAL HB . . 3.010 2.754 2.542 2.988 . 0 0 "[ . 1 . 2]" 1
749 1 55 ASP HA 1 58 VAL MG1 . . 4.270 3.982 3.718 4.159 . 0 0 "[ . 1 . 2]" 1
750 1 55 ASP HA 1 58 VAL MG2 . . 3.740 2.987 2.475 3.274 . 0 0 "[ . 1 . 2]" 1
751 1 55 ASP HA 1 59 ILE H . . 5.090 4.236 3.978 4.763 . 0 0 "[ . 1 . 2]" 1
752 1 55 ASP HA 1 59 ILE MD . . 4.580 3.672 3.313 4.305 . 0 0 "[ . 1 . 2]" 1
753 1 55 ASP QB 1 56 GLU H . . 3.480 2.472 2.020 3.123 . 0 0 "[ . 1 . 2]" 1
754 1 55 ASP QB 1 56 GLU HA . . 4.850 3.680 3.532 3.930 . 0 0 "[ . 1 . 2]" 1
755 1 55 ASP QB 1 59 ILE MD . . 3.970 2.470 2.129 2.955 . 0 0 "[ . 1 . 2]" 1
756 1 56 GLU H 1 56 GLU HB2 . . 3.300 2.416 2.348 2.494 . 0 0 "[ . 1 . 2]" 1
757 1 56 GLU H 1 56 GLU HB3 . . 3.680 3.543 3.530 3.560 . 0 0 "[ . 1 . 2]" 1
758 1 56 GLU H 1 56 GLU HG2 . . 2.920 2.293 2.119 2.441 . 0 0 "[ . 1 . 2]" 1
759 1 56 GLU H 1 56 GLU HG3 . . 3.320 3.179 2.924 3.298 . 0 0 "[ . 1 . 2]" 1
760 1 56 GLU H 1 57 CYS H . . 3.250 2.809 2.612 2.944 . 0 0 "[ . 1 . 2]" 1
761 1 56 GLU H 1 58 VAL H . . 4.860 4.264 3.989 4.533 . 0 0 "[ . 1 . 2]" 1
762 1 56 GLU HA 1 56 GLU HG2 . . 3.000 2.540 2.449 2.633 . 0 0 "[ . 1 . 2]" 1
763 1 56 GLU HA 1 56 GLU HG3 . . 3.800 3.696 3.652 3.746 . 0 0 "[ . 1 . 2]" 1
764 1 56 GLU HA 1 59 ILE H . . 4.300 3.269 3.035 3.525 . 0 0 "[ . 1 . 2]" 1
765 1 56 GLU HA 1 59 ILE HB . . 3.340 2.460 2.184 2.662 . 0 0 "[ . 1 . 2]" 1
766 1 56 GLU HA 1 59 ILE MD . . 3.490 2.015 1.841 2.184 . 0 0 "[ . 1 . 2]" 1
767 1 56 GLU HA 1 59 ILE HG12 . . 4.620 4.538 4.298 4.635 0.015 15 0 "[ . 1 . 2]" 1
768 1 56 GLU HA 1 59 ILE HG13 . . 5.280 3.897 3.331 4.553 . 0 0 "[ . 1 . 2]" 1
769 1 56 GLU HA 1 59 ILE MG . . 4.010 3.793 3.491 4.005 . 0 0 "[ . 1 . 2]" 1
770 1 56 GLU HA 1 60 ALA H . . 4.890 3.774 3.407 4.143 . 0 0 "[ . 1 . 2]" 1
771 1 56 GLU HA 1 75 LEU MD2 . . 4.810 4.636 4.343 4.825 0.015 15 0 "[ . 1 . 2]" 1
772 1 56 GLU HB2 1 57 CYS H . . 3.540 2.583 2.422 2.718 . 0 0 "[ . 1 . 2]" 1
773 1 56 GLU HB2 1 75 LEU MD2 . . 3.670 3.459 3.061 3.665 . 0 0 "[ . 1 . 2]" 1
774 1 56 GLU HB3 1 56 GLU HG2 . . 3.050 3.002 2.950 3.030 . 0 0 "[ . 1 . 2]" 1
775 1 56 GLU HB3 1 57 CYS H . . 3.890 3.530 3.418 3.662 . 0 0 "[ . 1 . 2]" 1
776 1 56 GLU HB3 1 75 LEU MD2 . . 3.220 2.964 2.546 3.200 . 0 0 "[ . 1 . 2]" 1
777 1 56 GLU HG2 1 57 CYS H . . 4.710 4.500 4.372 4.598 . 0 0 "[ . 1 . 2]" 1
778 1 56 GLU HG2 1 59 ILE MD . . 4.260 3.285 3.086 3.505 . 0 0 "[ . 1 . 2]" 1
779 1 57 CYS H 1 57 CYS HB2 . . 3.360 2.473 2.226 2.590 . 0 0 "[ . 1 . 2]" 1
780 1 57 CYS H 1 57 CYS HB3 . . 3.670 3.556 3.495 3.567 . 0 0 "[ . 1 . 2]" 1
781 1 57 CYS H 1 57 CYS HG . . 3.420 2.477 2.125 2.998 . 0 0 "[ . 1 . 2]" 1
782 1 57 CYS H 1 58 VAL H . . 3.450 2.794 2.680 2.975 . 0 0 "[ . 1 . 2]" 1
783 1 57 CYS H 1 58 VAL HB . . 5.500 4.814 4.694 4.914 . 0 0 "[ . 1 . 2]" 1
784 1 57 CYS H 1 58 VAL MG2 . . 4.440 4.188 3.890 4.388 . 0 0 "[ . 1 . 2]" 1
785 1 57 CYS H 1 59 ILE H . . 5.030 4.100 3.838 4.413 . 0 0 "[ . 1 . 2]" 1
786 1 57 CYS H 1 75 LEU MD1 . . 5.310 4.436 4.015 5.022 . 0 0 "[ . 1 . 2]" 1
787 1 57 CYS H 1 75 LEU MD2 . . 4.310 3.609 3.262 3.855 . 0 0 "[ . 1 . 2]" 1
788 1 57 CYS HA 1 57 CYS HG . . 4.250 3.611 3.363 3.820 . 0 0 "[ . 1 . 2]" 1
789 1 57 CYS HA 1 60 ALA H . . 4.220 3.522 3.157 3.893 . 0 0 "[ . 1 . 2]" 1
790 1 57 CYS HA 1 60 ALA MB . . 3.460 2.547 2.226 2.822 . 0 0 "[ . 1 . 2]" 1
791 1 57 CYS HA 1 61 LEU H . . 4.900 3.565 3.392 3.750 . 0 0 "[ . 1 . 2]" 1
792 1 57 CYS HA 1 75 LEU MD1 . . 3.070 2.392 2.020 2.833 . 0 0 "[ . 1 . 2]" 1
793 1 57 CYS HA 1 75 LEU MD2 . . 3.320 2.508 2.039 2.808 . 0 0 "[ . 1 . 2]" 1
794 1 57 CYS HB2 1 57 CYS HG . . 3.100 2.415 2.360 2.468 . 0 0 "[ . 1 . 2]" 1
795 1 57 CYS HB2 1 58 VAL H . . 3.930 2.561 2.346 2.805 . 0 0 "[ . 1 . 2]" 1
796 1 57 CYS HB2 1 58 VAL MG2 . . 4.140 3.164 3.013 3.358 . 0 0 "[ . 1 . 2]" 1
797 1 57 CYS HB2 1 75 LEU MD1 . . 5.150 4.275 3.815 4.820 . 0 0 "[ . 1 . 2]" 1
798 1 57 CYS HB3 1 58 VAL H . . 4.210 3.562 3.193 3.814 . 0 0 "[ . 1 . 2]" 1
799 1 57 CYS HB3 1 75 LEU MD1 . . 4.860 3.201 2.696 3.959 . 0 0 "[ . 1 . 2]" 1
800 1 57 CYS HB3 1 75 LEU MD2 . . 4.340 4.162 3.810 4.342 0.002 19 0 "[ . 1 . 2]" 1
801 1 57 CYS HG 1 75 LEU MD1 . . 5.500 4.097 3.642 4.579 . 0 0 "[ . 1 . 2]" 1
802 1 58 VAL H 1 58 VAL HB . . 3.020 2.390 2.300 2.452 . 0 0 "[ . 1 . 2]" 1
803 1 58 VAL H 1 58 VAL MG1 . . 4.110 3.695 3.678 3.709 . 0 0 "[ . 1 . 2]" 1
804 1 58 VAL H 1 58 VAL MG2 . . 3.080 2.029 1.917 2.242 . 0 0 "[ . 1 . 2]" 1
805 1 58 VAL H 1 59 ILE H . . 3.630 2.760 2.603 3.000 . 0 0 "[ . 1 . 2]" 1
806 1 58 VAL H 1 60 ALA H . . 5.200 4.471 4.161 4.888 . 0 0 "[ . 1 . 2]" 1
807 1 58 VAL HA 1 58 VAL MG1 . . 3.170 2.494 2.421 2.560 . 0 0 "[ . 1 . 2]" 1
808 1 58 VAL HA 1 58 VAL MG2 . . 2.960 2.374 2.235 2.460 . 0 0 "[ . 1 . 2]" 1
809 1 58 VAL HA 1 60 ALA H . . 5.500 4.914 4.569 5.417 . 0 0 "[ . 1 . 2]" 1
810 1 58 VAL HA 1 61 LEU H . . 4.220 3.813 3.612 4.016 . 0 0 "[ . 1 . 2]" 1
811 1 58 VAL HA 1 61 LEU HB2 . . 3.930 3.514 3.135 3.877 . 0 0 "[ . 1 . 2]" 1
812 1 58 VAL HA 1 61 LEU HB3 . . 3.950 2.821 2.597 3.134 . 0 0 "[ . 1 . 2]" 1
813 1 58 VAL HA 1 61 LEU MD2 . . 4.550 3.358 2.912 3.743 . 0 0 "[ . 1 . 2]" 1
814 1 58 VAL HA 1 62 HIS H . . 4.820 3.740 3.142 4.217 . 0 0 "[ . 1 . 2]" 1
815 1 58 VAL HB 1 59 ILE H . . 3.400 2.678 2.397 2.941 . 0 0 "[ . 1 . 2]" 1
816 1 58 VAL HB 1 59 ILE HB . . 5.110 4.824 4.609 4.943 . 0 0 "[ . 1 . 2]" 1
817 1 58 VAL HB 1 59 ILE HG13 . . 4.240 3.359 3.161 3.645 . 0 0 "[ . 1 . 2]" 1
818 1 58 VAL MG1 1 59 ILE H . . 3.980 3.454 3.200 3.757 . 0 0 "[ . 1 . 2]" 1
819 1 58 VAL MG1 1 59 ILE HA . . 4.080 3.485 3.213 3.751 . 0 0 "[ . 1 . 2]" 1
820 1 58 VAL MG1 1 59 ILE HG13 . . 4.640 3.538 3.106 3.840 . 0 0 "[ . 1 . 2]" 1
821 1 58 VAL MG1 1 62 HIS H . . 5.500 3.877 3.353 4.278 . 0 0 "[ . 1 . 2]" 1
822 1 58 VAL MG1 1 62 HIS QB . . 4.710 3.218 2.420 3.834 . 0 0 "[ . 1 . 2]" 1
823 1 58 VAL MG2 1 59 ILE H . . 4.200 3.925 3.787 4.025 . 0 0 "[ . 1 . 2]" 1
824 1 59 ILE H 1 59 ILE HB . . 3.030 2.332 2.243 2.405 . 0 0 "[ . 1 . 2]" 1
825 1 59 ILE H 1 59 ILE MD . . 4.020 2.956 2.337 3.363 . 0 0 "[ . 1 . 2]" 1
826 1 59 ILE H 1 59 ILE HG12 . . 3.840 3.754 3.518 3.854 0.014 15 0 "[ . 1 . 2]" 1
827 1 59 ILE H 1 59 ILE HG13 . . 3.170 2.370 2.063 2.610 . 0 0 "[ . 1 . 2]" 1
828 1 59 ILE H 1 59 ILE MG . . 4.040 3.688 3.653 3.709 . 0 0 "[ . 1 . 2]" 1
829 1 59 ILE H 1 60 ALA H . . 2.950 2.787 2.501 2.961 0.011 6 0 "[ . 1 . 2]" 1
830 1 59 ILE H 1 60 ALA MB . . 4.860 4.255 4.038 4.448 . 0 0 "[ . 1 . 2]" 1
831 1 59 ILE H 1 61 LEU H . . 5.020 4.268 3.601 4.674 . 0 0 "[ . 1 . 2]" 1
832 1 59 ILE H 1 62 HIS H . . 5.500 4.759 4.610 4.880 . 0 0 "[ . 1 . 2]" 1
833 1 59 ILE HA 1 59 ILE MD . . 3.940 3.801 3.629 3.862 . 0 0 "[ . 1 . 2]" 1
834 1 59 ILE HA 1 59 ILE HG12 . . 3.390 2.838 2.614 3.148 . 0 0 "[ . 1 . 2]" 1
835 1 59 ILE HA 1 59 ILE HG13 . . 3.470 2.540 2.278 2.701 . 0 0 "[ . 1 . 2]" 1
836 1 59 ILE HA 1 59 ILE MG . . 3.240 2.510 2.399 2.567 . 0 0 "[ . 1 . 2]" 1
837 1 59 ILE HA 1 60 ALA HA . . 5.260 4.817 4.782 4.853 . 0 0 "[ . 1 . 2]" 1
838 1 59 ILE HA 1 60 ALA MB . . 5.350 5.021 5.001 5.033 . 0 0 "[ . 1 . 2]" 1
839 1 59 ILE HA 1 62 HIS H . . 4.340 3.767 3.543 4.066 . 0 0 "[ . 1 . 2]" 1
840 1 59 ILE HA 1 62 HIS QB . . 3.390 2.824 2.592 3.221 . 0 0 "[ . 1 . 2]" 1
841 1 59 ILE HA 1 62 HIS HD2 . . 4.690 4.589 4.329 4.700 0.010 5 0 "[ . 1 . 2]" 1
842 1 59 ILE HA 1 63 ASP H . . 4.880 3.559 3.320 3.766 . 0 0 "[ . 1 . 2]" 1
843 1 59 ILE HB 1 59 ILE MD . . 3.550 2.087 1.969 2.233 . 0 0 "[ . 1 . 2]" 1
844 1 59 ILE HB 1 60 ALA H . . 3.380 2.445 2.201 2.642 . 0 0 "[ . 1 . 2]" 1
845 1 59 ILE HB 1 60 ALA MB . . 4.770 3.962 3.877 4.028 . 0 0 "[ . 1 . 2]" 1
846 1 59 ILE MD 1 60 ALA H . . 4.250 4.086 3.744 4.251 0.001 7 0 "[ . 1 . 2]" 1
847 1 59 ILE HG12 1 59 ILE MG . . 3.260 2.187 1.963 2.322 . 0 0 "[ . 1 . 2]" 1
848 1 59 ILE HG13 1 59 ILE MG . . 3.510 3.149 2.991 3.219 . 0 0 "[ . 1 . 2]" 1
849 1 59 ILE HG13 1 60 ALA H . . 5.500 4.469 4.360 4.670 . 0 0 "[ . 1 . 2]" 1
850 1 59 ILE MG 1 60 ALA H . . 3.850 3.057 2.739 3.332 . 0 0 "[ . 1 . 2]" 1
851 1 59 ILE MG 1 60 ALA HA . . 3.440 3.246 3.037 3.440 . 0 0 "[ . 1 . 2]" 1
852 1 59 ILE MG 1 62 HIS QB . . 4.680 4.208 3.901 4.519 . 0 0 "[ . 1 . 2]" 1
853 1 59 ILE MG 1 63 ASP H . . 5.040 3.657 3.310 3.932 . 0 0 "[ . 1 . 2]" 1
854 1 59 ILE MG 1 63 ASP HB2 . . 4.410 2.853 2.418 3.395 . 0 0 "[ . 1 . 2]" 1
855 1 60 ALA H 1 60 ALA MB . . 3.050 2.096 1.932 2.158 . 0 0 "[ . 1 . 2]" 1
856 1 60 ALA H 1 61 LEU H . . 3.550 2.944 2.822 3.075 . 0 0 "[ . 1 . 2]" 1
857 1 60 ALA H 1 62 HIS H . . 5.210 4.569 4.343 4.889 . 0 0 "[ . 1 . 2]" 1
858 1 60 ALA H 1 75 LEU MD1 . . 5.500 4.679 4.410 5.032 . 0 0 "[ . 1 . 2]" 1
859 1 60 ALA H 1 75 LEU MD2 . . 4.420 4.132 3.543 4.417 . 0 0 "[ . 1 . 2]" 1
860 1 60 ALA HA 1 62 HIS H . . 5.500 4.879 4.605 5.126 . 0 0 "[ . 1 . 2]" 1
861 1 60 ALA HA 1 63 ASP H . . 4.520 3.611 3.378 3.945 . 0 0 "[ . 1 . 2]" 1
862 1 60 ALA HA 1 63 ASP HB2 . . 3.460 2.745 2.230 3.692 0.232 17 0 "[ . 1 . 2]" 1
863 1 60 ALA HA 1 63 ASP HB3 . . 3.680 2.702 2.265 3.256 . 0 0 "[ . 1 . 2]" 1
864 1 60 ALA HA 1 64 CYS H . . 4.830 3.781 3.419 4.471 . 0 0 "[ . 1 . 2]" 1
865 1 60 ALA HA 1 74 VAL MG1 . . 3.920 3.514 2.789 3.925 0.005 2 0 "[ . 1 . 2]" 1
866 1 60 ALA MB 1 61 LEU H . . 3.310 2.368 2.045 2.809 . 0 0 "[ . 1 . 2]" 1
867 1 60 ALA MB 1 61 LEU HA . . 4.680 3.743 3.612 3.892 . 0 0 "[ . 1 . 2]" 1
868 1 60 ALA MB 1 71 ALA HA . . 3.680 3.090 2.513 3.506 . 0 0 "[ . 1 . 2]" 1
869 1 60 ALA MB 1 74 VAL H . . 5.500 4.560 4.204 4.960 . 0 0 "[ . 1 . 2]" 1
870 1 60 ALA MB 1 74 VAL HB . . 3.900 2.918 2.383 3.474 . 0 0 "[ . 1 . 2]" 1
871 1 60 ALA MB 1 74 VAL MG1 . . 4.170 3.058 2.701 3.412 . 0 0 "[ . 1 . 2]" 1
872 1 60 ALA MB 1 75 LEU H . . 4.320 3.360 2.991 3.646 . 0 0 "[ . 1 . 2]" 1
873 1 60 ALA MB 1 75 LEU HB2 . . 4.070 4.048 3.775 4.080 0.010 20 0 "[ . 1 . 2]" 1
874 1 60 ALA MB 1 75 LEU MD1 . . 3.010 2.589 2.210 2.922 . 0 0 "[ . 1 . 2]" 1
875 1 60 ALA MB 1 75 LEU MD2 . . 2.930 2.616 2.000 2.899 . 0 0 "[ . 1 . 2]" 1
876 1 60 ALA MB 1 75 LEU HG . . 3.410 2.149 1.819 2.291 . 0 0 "[ . 1 . 2]" 1
877 1 61 LEU H 1 61 LEU HB2 . . 3.230 2.236 2.165 2.413 . 0 0 "[ . 1 . 2]" 1
878 1 61 LEU H 1 61 LEU HB3 . . 3.360 2.670 2.479 2.752 . 0 0 "[ . 1 . 2]" 1
879 1 61 LEU H 1 61 LEU MD1 . . 4.440 3.804 3.620 4.004 . 0 0 "[ . 1 . 2]" 1
880 1 61 LEU H 1 61 LEU MD2 . . 4.300 4.127 4.074 4.183 . 0 0 "[ . 1 . 2]" 1
881 1 61 LEU H 1 62 HIS H . . 3.530 3.059 2.880 3.124 . 0 0 "[ . 1 . 2]" 1
882 1 61 LEU H 1 62 HIS HA . . 5.500 5.485 5.329 5.519 0.019 10 0 "[ . 1 . 2]" 1
883 1 61 LEU H 1 62 HIS QB . . 5.090 4.665 4.471 4.752 . 0 0 "[ . 1 . 2]" 1
884 1 61 LEU H 1 63 ASP H . . 5.500 4.355 4.073 4.617 . 0 0 "[ . 1 . 2]" 1
885 1 61 LEU H 1 71 ALA MB . . 3.260 3.121 2.826 3.273 0.013 10 0 "[ . 1 . 2]" 1
886 1 61 LEU H 1 75 LEU MD1 . . 5.180 3.944 3.618 4.252 . 0 0 "[ . 1 . 2]" 1
887 1 61 LEU H 1 75 LEU MD2 . . 5.160 4.941 4.322 5.161 0.001 4 0 "[ . 1 . 2]" 1
888 1 61 LEU HA 1 61 LEU MD1 . . 3.020 1.974 1.895 2.072 . 0 0 "[ . 1 . 2]" 1
889 1 61 LEU HA 1 61 LEU MD2 . . 3.780 3.770 3.698 3.851 0.071 8 0 "[ . 1 . 2]" 1
890 1 61 LEU HA 1 61 LEU HG . . 4.120 3.168 2.915 3.343 . 0 0 "[ . 1 . 2]" 1
891 1 61 LEU HA 1 64 CYS H . . 4.360 3.711 3.356 3.975 . 0 0 "[ . 1 . 2]" 1
892 1 61 LEU HA 1 64 CYS HB2 . . 3.680 3.129 2.618 4.297 0.617 18 1 "[ . 1 . + 2]" 1
893 1 61 LEU HA 1 64 CYS HB3 . . 4.290 4.151 3.491 4.322 0.032 9 0 "[ . 1 . 2]" 1
894 1 61 LEU HA 1 66 GLY H . . 4.740 4.159 3.907 4.562 . 0 0 "[ . 1 . 2]" 1
895 1 61 LEU HA 1 66 GLY HA2 . . 4.320 4.199 3.963 4.362 0.042 9 0 "[ . 1 . 2]" 1
896 1 61 LEU HA 1 68 VAL HA . . 4.740 4.352 4.121 4.700 . 0 0 "[ . 1 . 2]" 1
897 1 61 LEU HA 1 71 ALA HA . . 4.630 3.885 3.542 4.368 . 0 0 "[ . 1 . 2]" 1
898 1 61 LEU HA 1 71 ALA MB . . 2.770 1.989 1.879 2.269 . 0 0 "[ . 1 . 2]" 1
899 1 61 LEU HB2 1 61 LEU MD1 . . 3.490 2.495 2.370 2.614 . 0 0 "[ . 1 . 2]" 1
900 1 61 LEU HB2 1 61 LEU MD2 . . 2.630 2.318 2.179 2.479 . 0 0 "[ . 1 . 2]" 1
901 1 61 LEU HB2 1 62 HIS H . . 4.240 3.642 3.543 3.764 . 0 0 "[ . 1 . 2]" 1
902 1 61 LEU HB2 1 66 GLY HA2 . . 5.010 4.891 4.676 5.016 0.006 8 0 "[ . 1 . 2]" 1
903 1 61 LEU HB3 1 61 LEU MD1 . . 3.360 3.208 3.190 3.223 . 0 0 "[ . 1 . 2]" 1
904 1 61 LEU HB3 1 61 LEU MD2 . . 3.120 2.368 2.184 2.465 . 0 0 "[ . 1 . 2]" 1
905 1 61 LEU HB3 1 62 HIS H . . 3.780 2.271 2.161 2.382 . 0 0 "[ . 1 . 2]" 1
906 1 61 LEU HB3 1 62 HIS QB . . 5.010 3.831 3.756 3.900 . 0 0 "[ . 1 . 2]" 1
907 1 61 LEU HB3 1 66 GLY HA2 . . 4.670 4.175 3.817 4.407 . 0 0 "[ . 1 . 2]" 1
908 1 61 LEU MD1 1 64 CYS HB2 . . 4.720 3.745 3.019 4.590 . 0 0 "[ . 1 . 2]" 1
909 1 61 LEU MD1 1 64 CYS HB3 . . 5.190 4.044 3.427 4.556 . 0 0 "[ . 1 . 2]" 1
910 1 61 LEU MD1 1 66 GLY H . . 4.300 3.272 2.872 3.745 . 0 0 "[ . 1 . 2]" 1
911 1 61 LEU MD1 1 66 GLY HA2 . . 3.540 2.569 2.246 2.783 . 0 0 "[ . 1 . 2]" 1
912 1 61 LEU MD1 1 66 GLY HA3 . . 3.970 3.748 3.442 3.950 . 0 0 "[ . 1 . 2]" 1
913 1 61 LEU MD1 1 67 ASP H . . 4.720 2.145 1.906 2.478 . 0 0 "[ . 1 . 2]" 1
914 1 61 LEU MD1 1 67 ASP HB2 . . 4.460 3.952 3.766 4.147 . 0 0 "[ . 1 . 2]" 1
915 1 61 LEU MD1 1 68 VAL H . . 4.560 2.861 2.578 3.189 . 0 0 "[ . 1 . 2]" 1
916 1 61 LEU MD1 1 68 VAL HA . . 3.270 2.181 1.995 2.444 . 0 0 "[ . 1 . 2]" 1
917 1 61 LEU MD1 1 68 VAL HB . . 4.310 3.992 3.656 4.311 0.001 1 0 "[ . 1 . 2]" 1
918 1 61 LEU MD1 1 68 VAL MG1 . . 4.190 3.966 3.613 4.192 0.002 1 0 "[ . 1 . 2]" 1
919 1 61 LEU MD1 1 68 VAL MG2 . . 3.420 2.336 1.874 2.746 . 0 0 "[ . 1 . 2]" 1
920 1 61 LEU MD1 1 69 ASN H . . 4.810 4.487 4.262 4.689 . 0 0 "[ . 1 . 2]" 1
921 1 61 LEU MD1 1 71 ALA H . . 5.500 3.544 3.335 3.821 . 0 0 "[ . 1 . 2]" 1
922 1 61 LEU MD1 1 71 ALA HA . . 5.500 4.384 4.054 4.627 . 0 0 "[ . 1 . 2]" 1
923 1 61 LEU MD1 1 71 ALA MB . . 2.720 2.153 1.858 2.394 . 0 0 "[ . 1 . 2]" 1
924 1 61 LEU MD2 1 62 HIS H . . 5.410 4.251 4.058 4.413 . 0 0 "[ . 1 . 2]" 1
925 1 61 LEU MD2 1 66 GLY H . . 5.190 4.995 4.286 5.216 0.026 5 0 "[ . 1 . 2]" 1
926 1 61 LEU MD2 1 66 GLY HA2 . . 3.900 3.333 2.922 3.595 . 0 0 "[ . 1 . 2]" 1
927 1 61 LEU MD2 1 66 GLY HA3 . . 4.630 4.490 4.213 4.639 0.009 15 0 "[ . 1 . 2]" 1
928 1 61 LEU MD2 1 68 VAL HA . . 4.140 3.612 3.294 3.868 . 0 0 "[ . 1 . 2]" 1
929 1 61 LEU MD2 1 68 VAL MG1 . . 4.620 4.533 4.297 4.630 0.010 8 0 "[ . 1 . 2]" 1
930 1 61 LEU MD2 1 68 VAL MG2 . . 3.730 2.425 2.095 2.691 . 0 0 "[ . 1 . 2]" 1
931 1 61 LEU MD2 1 71 ALA MB . . 4.080 3.932 3.741 4.082 0.002 13 0 "[ . 1 . 2]" 1
932 1 61 LEU HG 1 62 HIS H . . 3.880 3.721 3.339 3.901 0.021 9 0 "[ . 1 . 2]" 1
933 1 61 LEU HG 1 66 GLY H . . 4.150 3.657 2.871 4.157 0.007 12 0 "[ . 1 . 2]" 1
934 1 61 LEU HG 1 66 GLY HA2 . . 3.430 2.027 1.990 2.189 . 0 0 "[ . 1 . 2]" 1
935 1 61 LEU HG 1 66 GLY HA3 . . 3.920 3.702 3.546 3.866 . 0 0 "[ . 1 . 2]" 1
936 1 62 HIS H 1 62 HIS QB . . 2.950 2.152 2.111 2.188 . 0 0 "[ . 1 . 2]" 1
937 1 62 HIS H 1 62 HIS HD2 . . 5.060 4.808 4.566 5.066 0.006 17 0 "[ . 1 . 2]" 1
938 1 62 HIS H 1 63 ASP H . . 3.580 2.863 2.677 3.025 . 0 0 "[ . 1 . 2]" 1
939 1 62 HIS H 1 63 ASP HB2 . . 5.500 4.783 4.457 5.571 0.071 17 0 "[ . 1 . 2]" 1
940 1 62 HIS H 1 64 CYS H . . 5.050 4.306 4.194 4.484 . 0 0 "[ . 1 . 2]" 1
941 1 62 HIS HA 1 62 HIS HD2 . . 4.210 4.185 4.128 4.222 0.012 2 0 "[ . 1 . 2]" 1
942 1 62 HIS QB 1 62 HIS HD2 . . 3.610 2.901 2.819 2.955 . 0 0 "[ . 1 . 2]" 1
943 1 62 HIS QB 1 63 ASP H . . 3.330 2.527 2.273 2.639 . 0 0 "[ . 1 . 2]" 1
944 1 62 HIS QB 1 63 ASP HA . . 4.900 4.242 4.065 4.335 . 0 0 "[ . 1 . 2]" 1
945 1 62 HIS QB 1 63 ASP HB2 . . 4.380 4.331 4.190 4.511 0.131 17 0 "[ . 1 . 2]" 1
946 1 62 HIS QB 1 64 CYS H . . 4.930 4.841 4.671 4.938 0.008 15 0 "[ . 1 . 2]" 1
947 1 62 HIS HD2 1 63 ASP H . . 5.300 3.025 2.547 3.767 . 0 0 "[ . 1 . 2]" 1
948 1 62 HIS HD2 1 63 ASP HA . . 4.380 2.530 2.202 3.153 . 0 0 "[ . 1 . 2]" 1
949 1 63 ASP H 1 63 ASP HB2 . . 3.190 2.172 2.043 2.707 . 0 0 "[ . 1 . 2]" 1
950 1 63 ASP H 1 63 ASP HB3 . . 3.640 2.919 2.302 3.260 . 0 0 "[ . 1 . 2]" 1
951 1 63 ASP H 1 64 CYS H . . 3.520 2.972 2.738 3.072 . 0 0 "[ . 1 . 2]" 1
952 1 63 ASP H 1 65 ASN H . . 5.210 4.589 3.608 4.910 . 0 0 "[ . 1 . 2]" 1
953 1 63 ASP HB2 1 64 CYS H . . 3.920 3.440 3.083 3.959 0.039 17 0 "[ . 1 . 2]" 1
954 1 63 ASP HB3 1 64 CYS H . . 3.990 2.411 2.245 2.627 . 0 0 "[ . 1 . 2]" 1
955 1 64 CYS H 1 64 CYS HB2 . . 3.060 2.219 2.052 2.602 . 0 0 "[ . 1 . 2]" 1
956 1 64 CYS H 1 64 CYS HB3 . . 3.780 3.279 2.475 3.576 . 0 0 "[ . 1 . 2]" 1
957 1 64 CYS H 1 65 ASN H . . 3.460 2.826 2.505 3.044 . 0 0 "[ . 1 . 2]" 1
958 1 64 CYS H 1 66 GLY H . . 4.750 4.353 3.753 4.753 0.003 10 0 "[ . 1 . 2]" 1
959 1 64 CYS H 1 67 ASP H . . 5.500 4.937 4.297 5.421 . 0 0 "[ . 1 . 2]" 1
960 1 64 CYS H 1 71 ALA MB . . 4.980 4.263 4.022 4.508 . 0 0 "[ . 1 . 2]" 1
961 1 64 CYS HA 1 70 ARG HB3 . . 5.500 4.236 3.643 5.085 . 0 0 "[ . 1 . 2]" 1
962 1 64 CYS HB2 1 65 ASN H . . 4.210 2.956 2.485 3.663 . 0 0 "[ . 1 . 2]" 1
963 1 64 CYS HB2 1 66 GLY H . . 5.120 4.142 3.250 4.987 . 0 0 "[ . 1 . 2]" 1
964 1 64 CYS HB2 1 67 ASP H . . 4.350 3.650 2.278 4.350 0.000 5 0 "[ . 1 . 2]" 1
965 1 64 CYS HB2 1 70 ARG HB2 . . 4.010 3.776 2.909 4.030 0.020 9 0 "[ . 1 . 2]" 1
966 1 64 CYS HB2 1 70 ARG HB3 . . 4.210 3.817 2.964 4.219 0.009 12 0 "[ . 1 . 2]" 1
967 1 64 CYS HB2 1 71 ALA H . . 4.570 3.874 3.480 4.121 . 0 0 "[ . 1 . 2]" 1
968 1 64 CYS HB2 1 71 ALA HA . . 4.100 3.210 2.605 4.108 0.008 20 0 "[ . 1 . 2]" 1
969 1 64 CYS HB2 1 71 ALA MB . . 3.670 3.112 2.718 3.903 0.233 18 0 "[ . 1 . 2]" 1
970 1 64 CYS HB3 1 65 ASN H . . 4.360 2.791 2.050 4.371 0.011 9 0 "[ . 1 . 2]" 1
971 1 64 CYS HB3 1 67 ASP H . . 4.200 3.226 2.713 3.694 . 0 0 "[ . 1 . 2]" 1
972 1 64 CYS HB3 1 67 ASP HB3 . . 4.400 3.691 1.992 4.442 0.042 12 0 "[ . 1 . 2]" 1
973 1 64 CYS HB3 1 70 ARG HB2 . . 3.630 2.665 2.189 3.264 . 0 0 "[ . 1 . 2]" 1
974 1 64 CYS HB3 1 70 ARG HB3 . . 3.780 2.808 1.998 4.093 0.313 16 0 "[ . 1 . 2]" 1
975 1 64 CYS HB3 1 71 ALA H . . 4.630 3.803 3.463 4.217 . 0 0 "[ . 1 . 2]" 1
976 1 64 CYS HB3 1 71 ALA MB . . 3.900 3.799 3.623 3.909 0.009 12 0 "[ . 1 . 2]" 1
977 1 65 ASN H 1 65 ASN HA . . 2.840 2.570 2.171 2.736 . 0 0 "[ . 1 . 2]" 1
978 1 65 ASN H 1 65 ASN HB2 . . 4.160 3.370 3.259 4.063 . 0 0 "[ . 1 . 2]" 1
979 1 65 ASN H 1 65 ASN HB3 . . 4.020 3.758 3.222 4.094 0.074 9 0 "[ . 1 . 2]" 1
980 1 65 ASN H 1 66 GLY H . . 3.630 2.148 1.878 3.023 . 0 0 "[ . 1 . 2]" 1
981 1 65 ASN HA 1 65 ASN HD22 . . 5.500 4.472 3.925 5.422 . 0 0 "[ . 1 . 2]" 1
982 1 65 ASN HB2 1 66 GLY H . . 5.390 4.149 2.944 4.744 . 0 0 "[ . 1 . 2]" 1
983 1 66 GLY H 1 67 ASP H . . 3.640 2.473 1.893 2.976 . 0 0 "[ . 1 . 2]" 1
984 1 67 ASP H 1 67 ASP HB2 . . 3.230 2.361 2.138 2.632 . 0 0 "[ . 1 . 2]" 1
985 1 67 ASP H 1 67 ASP HB3 . . 3.250 3.187 2.913 3.263 0.013 7 0 "[ . 1 . 2]" 1
986 1 67 ASP H 1 68 VAL H . . 5.210 4.248 3.909 4.550 . 0 0 "[ . 1 . 2]" 1
987 1 67 ASP H 1 70 ARG HB2 . . 5.500 3.826 3.340 5.080 . 0 0 "[ . 1 . 2]" 1
988 1 67 ASP H 1 71 ALA H . . 5.500 4.274 3.706 4.853 . 0 0 "[ . 1 . 2]" 1
989 1 67 ASP HA 1 68 VAL H . . 2.990 2.277 2.254 2.333 . 0 0 "[ . 1 . 2]" 1
990 1 67 ASP HA 1 68 VAL HA . . 4.920 4.440 4.377 4.520 . 0 0 "[ . 1 . 2]" 1
991 1 67 ASP HA 1 68 VAL HB . . 4.410 4.369 4.319 4.419 0.009 5 0 "[ . 1 . 2]" 1
992 1 67 ASP HA 1 68 VAL MG1 . . 5.500 5.414 5.373 5.461 . 0 0 "[ . 1 . 2]" 1
993 1 67 ASP HA 1 68 VAL MG2 . . 4.740 4.209 4.020 4.368 . 0 0 "[ . 1 . 2]" 1
994 1 67 ASP HA 1 69 ASN H . . 4.350 3.847 3.523 4.240 . 0 0 "[ . 1 . 2]" 1
995 1 67 ASP HA 1 70 ARG H . . 5.500 4.480 4.229 4.775 . 0 0 "[ . 1 . 2]" 1
996 1 67 ASP HB2 1 68 VAL H . . 5.170 4.603 4.378 4.724 . 0 0 "[ . 1 . 2]" 1
997 1 67 ASP HB2 1 70 ARG H . . 4.150 3.774 3.494 4.447 0.297 20 0 "[ . 1 . 2]" 1
998 1 67 ASP HB2 1 70 ARG HB2 . . 3.550 2.593 2.268 3.175 . 0 0 "[ . 1 . 2]" 1
999 1 67 ASP HB2 1 70 ARG HB3 . . 3.820 3.869 3.518 4.186 0.366 10 0 "[ . 1 . 2]" 1
1000 1 67 ASP HB2 1 71 ALA H . . 4.830 4.268 3.927 4.693 . 0 0 "[ . 1 . 2]" 1
1001 1 67 ASP HB3 1 68 VAL H . . 4.700 3.837 3.317 4.192 . 0 0 "[ . 1 . 2]" 1
1002 1 67 ASP HB3 1 70 ARG H . . 4.440 2.181 1.931 3.120 . 0 0 "[ . 1 . 2]" 1
1003 1 67 ASP HB3 1 70 ARG HB2 . . 3.840 2.031 1.983 2.243 . 0 0 "[ . 1 . 2]" 1
1004 1 67 ASP HB3 1 70 ARG HB3 . . 4.260 3.473 2.539 3.839 . 0 0 "[ . 1 . 2]" 1
1005 1 67 ASP HB3 1 70 ARG HD2 . . 5.340 4.604 3.588 5.067 . 0 0 "[ . 1 . 2]" 1
1006 1 67 ASP HB3 1 70 ARG HD3 . . 5.360 4.819 4.295 5.572 0.212 2 0 "[ . 1 . 2]" 1
1007 1 68 VAL H 1 68 VAL HB . . 3.120 2.167 2.117 2.300 . 0 0 "[ . 1 . 2]" 1
1008 1 68 VAL H 1 68 VAL MG1 . . 4.080 3.609 3.558 3.678 . 0 0 "[ . 1 . 2]" 1
1009 1 68 VAL H 1 68 VAL MG2 . . 3.380 2.619 2.379 2.794 . 0 0 "[ . 1 . 2]" 1
1010 1 68 VAL H 1 69 ASN H . . 3.550 2.647 2.399 2.938 . 0 0 "[ . 1 . 2]" 1
1011 1 68 VAL H 1 69 ASN HA . . 5.500 5.159 4.954 5.390 . 0 0 "[ . 1 . 2]" 1
1012 1 68 VAL H 1 69 ASN HB2 . . 5.500 5.028 4.376 5.365 . 0 0 "[ . 1 . 2]" 1
1013 1 68 VAL H 1 70 ARG H . . 4.680 4.564 4.349 4.683 0.003 16 0 "[ . 1 . 2]" 1
1014 1 68 VAL H 1 71 ALA H . . 4.970 4.632 4.514 4.730 . 0 0 "[ . 1 . 2]" 1
1015 1 68 VAL H 1 71 ALA MB . . 5.500 4.393 4.227 4.590 . 0 0 "[ . 1 . 2]" 1
1016 1 68 VAL HA 1 68 VAL MG1 . . 3.250 2.631 2.580 2.658 . 0 0 "[ . 1 . 2]" 1
1017 1 68 VAL HA 1 68 VAL MG2 . . 3.230 2.113 2.060 2.273 . 0 0 "[ . 1 . 2]" 1
1018 1 68 VAL HA 1 70 ARG H . . 5.430 5.066 4.912 5.247 . 0 0 "[ . 1 . 2]" 1
1019 1 68 VAL HA 1 71 ALA H . . 3.980 3.625 3.447 3.740 . 0 0 "[ . 1 . 2]" 1
1020 1 68 VAL HA 1 71 ALA MB . . 3.070 2.498 2.239 2.712 . 0 0 "[ . 1 . 2]" 1
1021 1 68 VAL HA 1 72 ILE H . . 4.480 3.968 3.775 4.244 . 0 0 "[ . 1 . 2]" 1
1022 1 68 VAL HB 1 69 ASN H . . 3.530 2.847 2.714 3.021 . 0 0 "[ . 1 . 2]" 1
1023 1 68 VAL MG1 1 69 ASN H . . 3.940 3.103 2.957 3.290 . 0 0 "[ . 1 . 2]" 1
1024 1 68 VAL MG1 1 69 ASN HA . . 4.140 3.070 2.996 3.158 . 0 0 "[ . 1 . 2]" 1
1025 1 68 VAL MG1 1 69 ASN HB3 . . 4.840 4.917 4.777 5.292 0.452 17 0 "[ . 1 . 2]" 1
1026 1 68 VAL MG1 1 69 ASN HD22 . . 5.500 4.737 3.891 5.263 . 0 0 "[ . 1 . 2]" 1
1027 1 68 VAL MG1 1 71 ALA MB . . 4.600 3.752 3.546 3.885 . 0 0 "[ . 1 . 2]" 1
1028 1 68 VAL MG1 1 72 ILE H . . 4.980 3.966 3.791 4.213 . 0 0 "[ . 1 . 2]" 1
1029 1 68 VAL MG2 1 69 ASN H . . 4.170 4.144 4.055 4.199 0.029 8 0 "[ . 1 . 2]" 1
1030 1 69 ASN H 1 69 ASN HB2 . . 3.050 2.636 2.083 2.805 . 0 0 "[ . 1 . 2]" 1
1031 1 69 ASN H 1 69 ASN HB3 . . 3.560 3.412 2.923 3.528 . 0 0 "[ . 1 . 2]" 1
1032 1 69 ASN H 1 69 ASN HD21 . . 4.450 3.481 2.231 4.233 . 0 0 "[ . 1 . 2]" 1
1033 1 69 ASN H 1 69 ASN HD22 . . 5.500 3.899 2.884 5.162 . 0 0 "[ . 1 . 2]" 1
1034 1 69 ASN H 1 70 ARG HA . . 5.310 5.290 5.209 5.348 0.038 12 0 "[ . 1 . 2]" 1
1035 1 69 ASN H 1 71 ALA H . . 4.150 3.952 3.701 4.155 0.005 12 0 "[ . 1 . 2]" 1
1036 1 69 ASN H 1 72 ILE MD . . 5.120 3.757 3.591 4.014 . 0 0 "[ . 1 . 2]" 1
1037 1 69 ASN HA 1 69 ASN HB2 . . 2.990 2.986 2.710 3.052 0.062 18 0 "[ . 1 . 2]" 1
1038 1 69 ASN HA 1 71 ALA H . . 5.500 4.404 4.143 4.688 . 0 0 "[ . 1 . 2]" 1
1039 1 69 ASN HA 1 72 ILE H . . 4.040 3.503 3.379 3.658 . 0 0 "[ . 1 . 2]" 1
1040 1 69 ASN HA 1 72 ILE HB . . 3.150 2.779 2.547 3.001 . 0 0 "[ . 1 . 2]" 1
1041 1 69 ASN HA 1 72 ILE MD . . 2.990 2.008 1.940 2.105 . 0 0 "[ . 1 . 2]" 1
1042 1 69 ASN HA 1 72 ILE HG12 . . 4.870 4.837 4.665 4.894 0.024 20 0 "[ . 1 . 2]" 1
1043 1 69 ASN HA 1 72 ILE HG13 . . 4.340 4.144 3.822 4.357 0.017 15 0 "[ . 1 . 2]" 1
1044 1 69 ASN HB2 1 70 ARG H . . 3.650 2.246 1.944 3.254 . 0 0 "[ . 1 . 2]" 1
1045 1 69 ASN HB2 1 70 ARG HA . . 4.570 4.022 3.671 5.255 0.685 11 4 "[ -* . 1+ . * 2]" 1
1046 1 69 ASN HB3 1 70 ARG H . . 3.670 3.208 2.081 3.530 . 0 0 "[ . 1 . 2]" 1
1047 1 70 ARG H 1 70 ARG HB2 . . 3.210 2.427 2.039 2.633 . 0 0 "[ . 1 . 2]" 1
1048 1 70 ARG H 1 70 ARG HB3 . . 3.520 3.513 3.277 3.561 0.041 1 0 "[ . 1 . 2]" 1
1049 1 70 ARG H 1 70 ARG HD2 . . 5.500 4.708 4.333 5.506 0.006 8 0 "[ . 1 . 2]" 1
1050 1 70 ARG H 1 70 ARG HD3 . . 5.500 4.325 3.324 5.275 . 0 0 "[ . 1 . 2]" 1
1051 1 70 ARG H 1 70 ARG HG2 . . 3.950 2.508 1.940 3.889 . 0 0 "[ . 1 . 2]" 1
1052 1 70 ARG H 1 70 ARG HG3 . . 3.880 3.124 2.477 3.737 . 0 0 "[ . 1 . 2]" 1
1053 1 70 ARG H 1 71 ALA H . . 3.310 2.878 2.797 2.927 . 0 0 "[ . 1 . 2]" 1
1054 1 70 ARG H 1 71 ALA MB . . 4.960 4.449 4.397 4.505 . 0 0 "[ . 1 . 2]" 1
1055 1 70 ARG H 1 72 ILE H . . 4.890 4.500 4.323 4.688 . 0 0 "[ . 1 . 2]" 1
1056 1 70 ARG H 1 73 ASN H . . 5.500 4.889 4.788 5.045 . 0 0 "[ . 1 . 2]" 1
1057 1 70 ARG HA 1 70 ARG HD2 . . 4.770 3.803 2.904 4.480 . 0 0 "[ . 1 . 2]" 1
1058 1 70 ARG HA 1 70 ARG HD3 . . 4.390 2.933 2.003 4.340 . 0 0 "[ . 1 . 2]" 1
1059 1 70 ARG HA 1 70 ARG HG2 . . 3.220 2.499 1.987 3.013 . 0 0 "[ . 1 . 2]" 1
1060 1 70 ARG HA 1 70 ARG HG3 . . 3.890 3.544 2.706 3.790 . 0 0 "[ . 1 . 2]" 1
1061 1 70 ARG HA 1 72 ILE H . . 5.410 4.678 4.471 4.899 . 0 0 "[ . 1 . 2]" 1
1062 1 70 ARG HA 1 73 ASN H . . 4.170 3.472 3.285 3.610 . 0 0 "[ . 1 . 2]" 1
1063 1 70 ARG HA 1 73 ASN QB . . 3.220 2.588 2.404 2.836 . 0 0 "[ . 1 . 2]" 1
1064 1 70 ARG HA 1 73 ASN HD21 . . 5.450 3.160 2.892 3.361 . 0 0 "[ . 1 . 2]" 1
1065 1 70 ARG HA 1 73 ASN HD22 . . 4.710 4.549 4.384 4.714 0.004 9 0 "[ . 1 . 2]" 1
1066 1 70 ARG HB2 1 70 ARG HD2 . . 3.940 3.356 2.484 3.709 . 0 0 "[ . 1 . 2]" 1
1067 1 70 ARG HB2 1 71 ALA H . . 3.890 2.720 2.449 3.266 . 0 0 "[ . 1 . 2]" 1
1068 1 70 ARG HB2 1 71 ALA HA . . 5.500 4.390 4.084 5.091 . 0 0 "[ . 1 . 2]" 1
1069 1 70 ARG HB3 1 70 ARG HD2 . . 3.330 2.431 2.091 3.080 . 0 0 "[ . 1 . 2]" 1
1070 1 70 ARG HB3 1 70 ARG HD3 . . 4.200 2.720 2.005 3.120 . 0 0 "[ . 1 . 2]" 1
1071 1 70 ARG HB3 1 70 ARG HG3 . . 2.900 2.774 2.519 3.052 0.152 10 0 "[ . 1 . 2]" 1
1072 1 70 ARG HB3 1 71 ALA H . . 3.890 3.523 2.984 3.787 . 0 0 "[ . 1 . 2]" 1
1073 1 70 ARG HD2 1 74 VAL MG2 . . 5.440 5.241 4.516 5.504 0.064 16 0 "[ . 1 . 2]" 1
1074 1 70 ARG HD3 1 74 VAL MG2 . . 5.500 5.079 3.142 5.504 0.004 13 0 "[ . 1 . 2]" 1
1075 1 71 ALA H 1 71 ALA MB . . 3.050 2.144 2.058 2.161 . 0 0 "[ . 1 . 2]" 1
1076 1 71 ALA H 1 72 ILE H . . 3.460 2.804 2.689 2.941 . 0 0 "[ . 1 . 2]" 1
1077 1 71 ALA H 1 73 ASN H . . 4.480 4.138 3.839 4.432 . 0 0 "[ . 1 . 2]" 1
1078 1 71 ALA HA 1 73 ASN H . . 4.710 4.279 3.875 4.632 . 0 0 "[ . 1 . 2]" 1
1079 1 71 ALA HA 1 74 VAL H . . 3.560 3.206 2.999 3.353 . 0 0 "[ . 1 . 2]" 1
1080 1 71 ALA HA 1 74 VAL HB . . 3.280 2.839 2.524 3.128 . 0 0 "[ . 1 . 2]" 1
1081 1 71 ALA HA 1 74 VAL MG2 . . 3.400 2.933 2.545 3.402 0.002 2 0 "[ . 1 . 2]" 1
1082 1 71 ALA HA 1 75 LEU MD1 . . 4.100 4.097 4.041 4.119 0.019 15 0 "[ . 1 . 2]" 1
1083 1 71 ALA HA 1 75 LEU HG . . 5.280 4.470 4.305 4.714 . 0 0 "[ . 1 . 2]" 1
1084 1 71 ALA MB 1 72 ILE H . . 3.530 2.349 2.214 2.499 . 0 0 "[ . 1 . 2]" 1
1085 1 71 ALA MB 1 72 ILE HB . . 4.340 4.344 4.284 4.377 0.037 20 0 "[ . 1 . 2]" 1
1086 1 71 ALA MB 1 72 ILE HG13 . . 3.830 3.334 3.184 3.441 . 0 0 "[ . 1 . 2]" 1
1087 1 71 ALA MB 1 73 ASN H . . 5.500 4.427 4.169 4.619 . 0 0 "[ . 1 . 2]" 1
1088 1 71 ALA MB 1 74 VAL HB . . 4.260 4.006 3.828 4.229 . 0 0 "[ . 1 . 2]" 1
1089 1 71 ALA MB 1 75 LEU MD1 . . 3.620 2.371 2.146 2.609 . 0 0 "[ . 1 . 2]" 1
1090 1 72 ILE H 1 72 ILE HB . . 3.070 2.297 2.226 2.381 . 0 0 "[ . 1 . 2]" 1
1091 1 72 ILE H 1 72 ILE MD . . 3.470 2.976 2.695 3.135 . 0 0 "[ . 1 . 2]" 1
1092 1 72 ILE H 1 72 ILE HG12 . . 3.850 3.782 3.618 3.859 0.009 8 0 "[ . 1 . 2]" 1
1093 1 72 ILE H 1 72 ILE HG13 . . 3.230 2.388 2.171 2.506 . 0 0 "[ . 1 . 2]" 1
1094 1 72 ILE H 1 72 ILE MG . . 3.710 3.675 3.645 3.703 . 0 0 "[ . 1 . 2]" 1
1095 1 72 ILE H 1 73 ASN H . . 3.560 2.885 2.720 2.991 . 0 0 "[ . 1 . 2]" 1
1096 1 72 ILE H 1 73 ASN QB . . 5.210 4.496 4.401 4.590 . 0 0 "[ . 1 . 2]" 1
1097 1 72 ILE H 1 73 ASN HD21 . . 5.370 5.136 4.861 5.379 0.009 15 0 "[ . 1 . 2]" 1
1098 1 72 ILE H 1 74 VAL H . . 4.770 4.185 3.898 4.531 . 0 0 "[ . 1 . 2]" 1
1099 1 72 ILE HA 1 72 ILE MD . . 4.160 3.769 3.729 3.808 . 0 0 "[ . 1 . 2]" 1
1100 1 72 ILE HA 1 72 ILE HG12 . . 3.260 2.772 2.679 2.916 . 0 0 "[ . 1 . 2]" 1
1101 1 72 ILE HA 1 72 ILE HG13 . . 3.150 2.428 2.333 2.551 . 0 0 "[ . 1 . 2]" 1
1102 1 72 ILE HA 1 72 ILE MG . . 2.820 2.570 2.521 2.615 . 0 0 "[ . 1 . 2]" 1
1103 1 72 ILE HA 1 73 ASN HA . . 5.470 4.804 4.698 4.846 . 0 0 "[ . 1 . 2]" 1
1104 1 72 ILE HA 1 75 LEU H . . 4.050 3.295 3.027 3.700 . 0 0 "[ . 1 . 2]" 1
1105 1 72 ILE HA 1 75 LEU HB2 . . 3.820 2.129 1.994 2.554 . 0 0 "[ . 1 . 2]" 1
1106 1 72 ILE HA 1 75 LEU HB3 . . 4.530 3.549 3.130 4.020 . 0 0 "[ . 1 . 2]" 1
1107 1 72 ILE HA 1 75 LEU MD1 . . 3.370 2.743 2.087 3.129 . 0 0 "[ . 1 . 2]" 1
1108 1 72 ILE HA 1 75 LEU MD2 . . 5.220 4.764 4.591 5.098 . 0 0 "[ . 1 . 2]" 1
1109 1 72 ILE HA 1 75 LEU HG . . 4.700 4.301 3.939 4.704 0.004 20 0 "[ . 1 . 2]" 1
1110 1 72 ILE HA 1 76 LEU H . . 4.970 3.194 2.878 3.722 . 0 0 "[ . 1 . 2]" 1
1111 1 72 ILE HB 1 72 ILE MD . . 2.420 2.123 1.956 2.199 . 0 0 "[ . 1 . 2]" 1
1112 1 72 ILE HB 1 73 ASN H . . 3.380 2.785 2.576 3.048 . 0 0 "[ . 1 . 2]" 1
1113 1 72 ILE HB 1 73 ASN QB . . 4.510 4.500 4.407 4.549 0.039 15 0 "[ . 1 . 2]" 1
1114 1 72 ILE HB 1 74 VAL H . . 5.500 5.068 4.774 5.371 . 0 0 "[ . 1 . 2]" 1
1115 1 72 ILE MD 1 73 ASN H . . 4.530 4.417 4.283 4.535 0.005 9 0 "[ . 1 . 2]" 1
1116 1 72 ILE HG12 1 72 ILE MG . . 3.430 2.277 2.237 2.325 . 0 0 "[ . 1 . 2]" 1
1117 1 72 ILE HG12 1 73 ASN H . . 5.500 5.260 5.131 5.441 . 0 0 "[ . 1 . 2]" 1
1118 1 72 ILE HG13 1 72 ILE MG . . 3.550 3.174 3.123 3.201 . 0 0 "[ . 1 . 2]" 1
1119 1 72 ILE HG13 1 73 ASN H . . 4.680 4.644 4.559 4.682 0.002 9 0 "[ . 1 . 2]" 1
1120 1 72 ILE MG 1 73 ASN H . . 3.880 3.136 2.822 3.486 . 0 0 "[ . 1 . 2]" 1
1121 1 72 ILE MG 1 73 ASN HA . . 3.500 3.148 2.998 3.333 . 0 0 "[ . 1 . 2]" 1
1122 1 72 ILE MG 1 73 ASN QB . . 4.480 4.325 4.177 4.488 0.008 15 0 "[ . 1 . 2]" 1
1123 1 72 ILE MG 1 73 ASN HD22 . . 5.500 4.780 4.389 5.260 . 0 0 "[ . 1 . 2]" 1
1124 1 72 ILE MG 1 74 VAL H . . 5.500 4.751 4.415 5.153 . 0 0 "[ . 1 . 2]" 1
1125 1 72 ILE MG 1 76 LEU H . . 4.740 3.476 3.243 3.955 . 0 0 "[ . 1 . 2]" 1
1126 1 72 ILE MG 1 76 LEU HB3 . . 5.120 4.324 4.015 4.722 . 0 0 "[ . 1 . 2]" 1
1127 1 72 ILE MG 1 76 LEU HG . . 3.840 2.131 1.953 2.697 . 0 0 "[ . 1 . 2]" 1
1128 1 73 ASN H 1 73 ASN QB . . 2.970 2.042 2.001 2.110 . 0 0 "[ . 1 . 2]" 1
1129 1 73 ASN H 1 73 ASN HD22 . . 5.130 4.358 4.029 4.745 . 0 0 "[ . 1 . 2]" 1
1130 1 73 ASN H 1 74 VAL H . . 3.520 2.733 2.443 2.890 . 0 0 "[ . 1 . 2]" 1
1131 1 73 ASN H 1 74 VAL HA . . 5.500 5.281 5.047 5.390 . 0 0 "[ . 1 . 2]" 1
1132 1 73 ASN H 1 74 VAL HB . . 5.200 4.974 4.695 5.117 . 0 0 "[ . 1 . 2]" 1
1133 1 73 ASN H 1 74 VAL MG2 . . 4.820 4.031 3.706 4.275 . 0 0 "[ . 1 . 2]" 1
1134 1 73 ASN H 1 76 LEU MD1 . . 5.500 4.252 3.693 4.785 . 0 0 "[ . 1 . 2]" 1
1135 1 73 ASN HA 1 73 ASN HD22 . . 5.330 3.825 3.723 3.938 . 0 0 "[ . 1 . 2]" 1
1136 1 73 ASN HA 1 74 VAL MG2 . . 4.640 4.666 4.626 4.714 0.074 10 0 "[ . 1 . 2]" 1
1137 1 73 ASN HA 1 75 LEU H . . 5.030 5.034 4.934 5.052 0.022 13 0 "[ . 1 . 2]" 1
1138 1 73 ASN HA 1 76 LEU H . . 4.360 4.125 3.814 4.358 . 0 0 "[ . 1 . 2]" 1
1139 1 73 ASN HA 1 76 LEU MD1 . . 3.670 2.935 2.221 3.670 0.000 5 0 "[ . 1 . 2]" 1
1140 1 73 ASN QB 1 73 ASN HD22 . . 3.780 3.316 3.295 3.345 . 0 0 "[ . 1 . 2]" 1
1141 1 73 ASN QB 1 74 VAL H . . 3.400 2.742 2.472 3.026 . 0 0 "[ . 1 . 2]" 1
1142 1 73 ASN QB 1 74 VAL HA . . 4.490 3.767 3.649 3.891 . 0 0 "[ . 1 . 2]" 1
1143 1 73 ASN QB 1 74 VAL HB . . 5.450 4.593 4.370 4.746 . 0 0 "[ . 1 . 2]" 1
1144 1 73 ASN QB 1 74 VAL MG1 . . 5.500 4.873 4.773 5.027 . 0 0 "[ . 1 . 2]" 1
1145 1 73 ASN QB 1 74 VAL MG2 . . 3.790 2.742 2.553 2.902 . 0 0 "[ . 1 . 2]" 1
1146 1 73 ASN QB 1 75 LEU H . . 5.300 4.835 4.608 5.021 . 0 0 "[ . 1 . 2]" 1
1147 1 74 VAL H 1 74 VAL HB . . 2.860 2.429 2.388 2.481 . 0 0 "[ . 1 . 2]" 1
1148 1 74 VAL H 1 74 VAL MG1 . . 4.040 3.726 3.707 3.753 . 0 0 "[ . 1 . 2]" 1
1149 1 74 VAL H 1 74 VAL MG2 . . 3.140 2.130 1.947 2.355 . 0 0 "[ . 1 . 2]" 1
1150 1 74 VAL H 1 75 LEU H . . 3.280 2.499 2.285 2.728 . 0 0 "[ . 1 . 2]" 1
1151 1 74 VAL H 1 75 LEU HB2 . . 5.500 4.255 4.022 4.443 . 0 0 "[ . 1 . 2]" 1
1152 1 74 VAL H 1 75 LEU HG . . 5.500 4.961 4.491 5.307 . 0 0 "[ . 1 . 2]" 1
1153 1 74 VAL HA 1 74 VAL MG1 . . 3.320 2.395 2.334 2.475 . 0 0 "[ . 1 . 2]" 1
1154 1 74 VAL HA 1 74 VAL MG2 . . 2.850 2.464 2.389 2.488 . 0 0 "[ . 1 . 2]" 1
1155 1 74 VAL HA 1 75 LEU HA . . 5.310 4.853 4.827 4.892 . 0 0 "[ . 1 . 2]" 1
1156 1 74 VAL HA 1 77 GLU H . . 4.790 3.608 3.035 3.850 . 0 0 "[ . 1 . 2]" 1
1157 1 74 VAL HA 1 77 GLU QB . . 4.430 3.477 2.408 4.430 0.000 16 0 "[ . 1 . 2]" 1
1158 1 74 VAL HB 1 75 LEU H . . 3.460 2.409 2.326 2.469 . 0 0 "[ . 1 . 2]" 1
1159 1 74 VAL HB 1 75 LEU HG . . 4.280 3.853 3.533 4.167 . 0 0 "[ . 1 . 2]" 1
1160 1 74 VAL MG1 1 75 LEU H . . 3.530 3.387 3.346 3.415 . 0 0 "[ . 1 . 2]" 1
1161 1 74 VAL MG1 1 75 LEU HA . . 3.530 3.537 3.501 3.563 0.033 10 0 "[ . 1 . 2]" 1
1162 1 74 VAL MG1 1 75 LEU HG . . 5.410 4.149 3.905 4.404 . 0 0 "[ . 1 . 2]" 1
1163 1 74 VAL MG2 1 75 LEU H . . 3.900 3.743 3.699 3.815 . 0 0 "[ . 1 . 2]" 1
1164 1 75 LEU H 1 75 LEU HB2 . . 3.210 2.212 2.139 2.358 . 0 0 "[ . 1 . 2]" 1
1165 1 75 LEU H 1 75 LEU HB3 . . 3.620 3.476 3.441 3.521 . 0 0 "[ . 1 . 2]" 1
1166 1 75 LEU H 1 75 LEU MD1 . . 4.060 3.368 3.000 3.631 . 0 0 "[ . 1 . 2]" 1
1167 1 75 LEU H 1 75 LEU MD2 . . 3.980 3.910 3.826 3.984 0.004 18 0 "[ . 1 . 2]" 1
1168 1 75 LEU H 1 75 LEU HG . . 3.220 2.692 2.416 2.868 . 0 0 "[ . 1 . 2]" 1
1169 1 75 LEU HA 1 75 LEU MD2 . . 2.640 2.300 1.979 2.608 . 0 0 "[ . 1 . 2]" 1
1170 1 75 LEU HA 1 75 LEU HG . . 3.240 2.567 2.477 2.640 . 0 0 "[ . 1 . 2]" 1
1171 1 75 LEU HB2 1 75 LEU MD1 . . 3.100 2.181 2.050 2.300 . 0 0 "[ . 1 . 2]" 1
1172 1 75 LEU HB2 1 75 LEU MD2 . . 3.250 3.183 3.129 3.215 . 0 0 "[ . 1 . 2]" 1
1173 1 75 LEU HB2 1 76 LEU H . . 3.640 2.648 2.517 2.896 . 0 0 "[ . 1 . 2]" 1
1174 1 75 LEU HB2 1 76 LEU HA . . 4.940 4.664 4.483 4.810 . 0 0 "[ . 1 . 2]" 1
1175 1 75 LEU HB3 1 75 LEU MD1 . . 3.280 2.560 2.417 2.728 . 0 0 "[ . 1 . 2]" 1
1176 1 75 LEU HB3 1 75 LEU MD2 . . 2.900 2.226 2.035 2.394 . 0 0 "[ . 1 . 2]" 1
1177 1 75 LEU HB3 1 76 LEU H . . 3.980 3.129 2.822 3.753 . 0 0 "[ . 1 . 2]" 1
1178 1 75 LEU HB3 1 76 LEU HA . . 5.050 4.062 3.927 4.419 . 0 0 "[ . 1 . 2]" 1
1179 1 75 LEU MD1 1 76 LEU H . . 4.440 4.386 4.260 4.446 0.006 14 0 "[ . 1 . 2]" 1
1180 1 76 LEU H 1 76 LEU HB2 . . 3.290 2.347 2.239 2.468 . 0 0 "[ . 1 . 2]" 1
1181 1 76 LEU H 1 76 LEU HB3 . . 3.650 3.522 3.489 3.573 . 0 0 "[ . 1 . 2]" 1
1182 1 76 LEU H 1 76 LEU MD1 . . 3.560 3.479 3.239 3.564 0.004 13 0 "[ . 1 . 2]" 1
1183 1 76 LEU H 1 76 LEU MD2 . . 3.840 3.576 3.356 3.738 . 0 0 "[ . 1 . 2]" 1
1184 1 76 LEU H 1 76 LEU HG . . 2.980 2.375 2.123 2.569 . 0 0 "[ . 1 . 2]" 1
1185 1 76 LEU H 1 77 GLU H . . 3.260 3.009 2.403 3.173 . 0 0 "[ . 1 . 2]" 1
1186 1 76 LEU HA 1 76 LEU MD2 . . 2.820 2.094 1.965 2.341 . 0 0 "[ . 1 . 2]" 1
1187 1 76 LEU HA 1 76 LEU HG . . 3.290 2.846 2.719 3.068 . 0 0 "[ . 1 . 2]" 1
1188 1 76 LEU HB2 1 76 LEU MD1 . . 3.040 2.242 2.146 2.385 . 0 0 "[ . 1 . 2]" 1
1189 1 76 LEU HB2 1 77 GLU H . . 4.050 2.419 2.250 2.695 . 0 0 "[ . 1 . 2]" 1
1190 1 76 LEU HB3 1 76 LEU MD1 . . 2.880 2.489 2.329 2.592 . 0 0 "[ . 1 . 2]" 1
1191 1 76 LEU HB3 1 76 LEU MD2 . . 3.260 2.309 2.175 2.386 . 0 0 "[ . 1 . 2]" 1
1192 1 76 LEU HB3 1 77 GLU H . . 4.740 3.175 2.959 3.792 . 0 0 "[ . 1 . 2]" 1
1193 1 76 LEU MD1 1 77 GLU H . . 5.030 4.268 4.024 4.483 . 0 0 "[ . 1 . 2]" 1
1194 1 76 LEU MD2 1 77 GLU H . . 4.740 4.624 4.525 4.742 0.002 16 0 "[ . 1 . 2]" 1
1195 1 76 LEU HG 1 77 GLU H . . 4.590 4.525 4.296 4.601 0.011 6 0 "[ . 1 . 2]" 1
1196 1 77 GLU H 1 77 GLU QB . . 3.040 2.477 2.005 2.962 . 0 0 "[ . 1 . 2]" 1
1197 1 77 GLU H 1 77 GLU HG2 . . 4.080 3.648 3.252 4.053 . 0 0 "[ . 1 . 2]" 1
1198 1 77 GLU H 1 77 GLU HG3 . . 3.890 3.658 3.129 4.072 0.182 5 0 "[ . 1 . 2]" 1
1199 1 77 GLU H 1 78 GLY H . . 3.420 3.087 2.691 3.420 . 0 0 "[ . 1 . 2]" 1
1200 1 77 GLU HA 1 78 GLY H . . 3.630 3.171 2.322 3.646 0.016 4 0 "[ . 1 . 2]" 1
1201 1 77 GLU QB 1 78 GLY H . . 4.350 3.010 1.863 4.115 . 0 0 "[ . 1 . 2]" 1
1202 1 77 GLU HG2 1 78 GLY H . . 5.010 4.634 4.278 5.092 0.082 3 0 "[ . 1 . 2]" 1
1203 1 79 ASN H 1 80 PRO HD2 . . 5.500 4.895 4.536 5.041 . 0 0 "[ . 1 . 2]" 1
1204 1 79 ASN HA 1 80 PRO HD2 . . 3.000 2.526 2.324 2.679 . 0 0 "[ . 1 . 2]" 1
1205 1 79 ASN HA 1 80 PRO HD3 . . 2.930 1.986 1.969 2.019 . 0 0 "[ . 1 . 2]" 1
1206 1 79 ASN HA 1 80 PRO QG . . 4.950 3.904 3.867 3.956 . 0 0 "[ . 1 . 2]" 1
1207 1 79 ASN HA 1 82 THR H . . 5.500 5.322 4.297 5.565 0.065 8 0 "[ . 1 . 2]" 1
1208 1 79 ASN QB 1 80 PRO HA . . 4.900 4.495 4.370 4.691 . 0 0 "[ . 1 . 2]" 1
1209 1 79 ASN QB 1 80 PRO HD2 . . 4.090 2.801 2.353 3.679 . 0 0 "[ . 1 . 2]" 1
1210 1 79 ASN QB 1 80 PRO HD3 . . 4.570 3.579 3.233 4.049 . 0 0 "[ . 1 . 2]" 1
1211 1 79 ASN QB 1 82 THR H . . 5.280 3.116 2.123 4.070 . 0 0 "[ . 1 . 2]" 1
1212 1 79 ASN QB 1 82 THR HB . . 4.820 3.037 2.048 4.598 . 0 0 "[ . 1 . 2]" 1
1213 1 79 ASN QB 1 82 THR MG . . 4.950 3.205 1.898 4.338 . 0 0 "[ . 1 . 2]" 1
1214 1 80 PRO HD2 1 81 ASP H . . 5.090 3.042 2.254 4.494 . 0 0 "[ . 1 . 2]" 1
1215 1 80 PRO QG 1 81 ASP H . . 4.960 3.417 2.322 4.861 . 0 0 "[ . 1 . 2]" 1
1216 1 81 ASP H 1 82 THR H . . 4.560 2.781 1.842 3.470 . 0 0 "[ . 1 . 2]" 1
1217 1 81 ASP HB2 1 82 THR H . . 5.140 4.126 2.274 4.730 . 0 0 "[ . 1 . 2]" 1
1218 1 81 ASP HB3 1 82 THR HA . . 5.500 4.784 4.017 5.799 0.299 4 0 "[ . 1 . 2]" 1
1219 1 82 THR H 1 82 THR MG . . 4.670 3.108 1.897 4.076 . 0 0 "[ . 1 . 2]" 1
1220 1 82 THR H 1 83 HIS H . . 5.500 3.665 2.121 4.663 . 0 0 "[ . 1 . 2]" 1
1221 1 82 THR HA 1 82 THR MG . . 3.380 2.840 2.450 3.246 . 0 0 "[ . 1 . 2]" 1
1222 1 83 HIS HA 1 83 HIS HD2 . . 4.930 3.468 2.003 4.767 . 0 0 "[ . 1 . 2]" 1
1223 1 84 SER HA 1 85 TRP HD1 . . 5.290 4.833 3.630 5.284 . 0 0 "[ . 1 . 2]" 1
1224 1 85 TRP H 1 85 TRP QB . . 3.450 2.647 2.028 3.323 . 0 0 "[ . 1 . 2]" 1
1225 1 85 TRP H 1 85 TRP HD1 . . 5.140 4.166 2.528 5.069 . 0 0 "[ . 1 . 2]" 1
1226 1 85 TRP H 1 85 TRP HE3 . . 5.500 5.321 4.994 5.505 0.005 3 0 "[ . 1 . 2]" 1
1227 1 85 TRP HA 1 85 TRP HD1 . . 4.430 3.916 3.444 4.486 0.056 4 0 "[ . 1 . 2]" 1
1228 1 85 TRP HA 1 85 TRP HE3 . . 4.110 3.336 2.181 4.146 0.036 4 0 "[ . 1 . 2]" 1
1229 1 85 TRP QB 1 85 TRP HD1 . . 3.580 2.627 2.546 2.760 . 0 0 "[ . 1 . 2]" 1
1230 1 85 TRP QB 1 85 TRP HE3 . . 3.570 2.601 2.386 2.912 . 0 0 "[ . 1 . 2]" 1
1231 1 85 TRP QB 1 86 GLU H . . 4.270 3.059 2.467 3.939 . 0 0 "[ . 1 . 2]" 1
1232 1 85 TRP QB 1 86 GLU HA . . 4.860 4.313 3.840 4.810 . 0 0 "[ . 1 . 2]" 1
1233 1 85 TRP HE3 1 86 GLU HA . . 4.650 4.064 2.959 4.608 . 0 0 "[ . 1 . 2]" 1
1234 1 85 TRP HZ3 1 86 GLU H . . 5.280 4.314 3.763 5.276 . 0 0 "[ . 1 . 2]" 1
1235 1 86 GLU H 1 86 GLU QG . . 4.090 3.464 2.365 4.073 . 0 0 "[ . 1 . 2]" 1
1236 1 86 GLU H 1 87 MET H . . 4.580 4.248 3.158 4.583 0.003 5 0 "[ . 1 . 2]" 1
1237 1 86 GLU HA 1 86 GLU QG . . 3.170 2.336 1.974 3.328 0.158 12 0 "[ . 1 . 2]" 1
1238 1 87 MET H 1 87 MET HB2 . . 3.290 3.058 2.187 3.883 0.593 10 1 "[ . + . 2]" 1
1239 1 87 MET H 1 87 MET HB3 . . 4.060 3.401 2.738 4.003 . 0 0 "[ . 1 . 2]" 1
1240 1 87 MET H 1 87 MET HG2 . . 5.500 4.281 1.953 5.100 . 0 0 "[ . 1 . 2]" 1
1241 1 87 MET H 1 87 MET HG3 . . 5.500 4.350 2.718 5.201 . 0 0 "[ . 1 . 2]" 1
1242 1 87 MET H 1 88 VAL H . . 4.320 3.743 2.877 4.321 0.001 10 0 "[ . 1 . 2]" 1
1243 1 87 MET HA 1 87 MET ME . . 5.500 4.251 3.278 5.369 . 0 0 "[ . 1 . 2]" 1
1244 1 87 MET HA 1 88 VAL H . . 3.550 2.390 2.202 3.579 0.029 6 0 "[ . 1 . 2]" 1
1245 1 87 MET ME 1 87 MET HG2 . . 3.090 2.493 1.971 2.989 . 0 0 "[ . 1 . 2]" 1
1246 1 87 MET ME 1 87 MET HG3 . . 3.090 2.450 2.005 3.046 . 0 0 "[ . 1 . 2]" 1
1247 1 88 VAL H 1 88 VAL HB . . 3.190 2.760 2.301 3.173 . 0 0 "[ . 1 . 2]" 1
1248 1 88 VAL H 1 88 VAL MG2 . . 3.710 3.453 2.144 4.012 0.302 3 0 "[ . 1 . 2]" 1
1249 1 88 VAL H 1 89 GLY H . . 5.500 3.799 1.930 4.579 . 0 0 "[ . 1 . 2]" 1
1250 1 88 VAL HA 1 88 VAL MG1 . . 3.260 2.910 2.422 3.219 . 0 0 "[ . 1 . 2]" 1
1251 1 88 VAL HA 1 88 VAL MG2 . . 3.530 2.279 2.104 2.431 . 0 0 "[ . 1 . 2]" 1
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