NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626187 |
6bgg   |
30367 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6bgg
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 1333
_Distance_constraint_stats_list.Viol_count 2485
_Distance_constraint_stats_list.Viol_total 2053.543
_Distance_constraint_stats_list.Viol_max 0.287
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0413
_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 4 PRO 0.014 0.014 11 0 "[ . 1 . 2]"
1 5 LEU 2.072 0.170 8 0 "[ . 1 . 2]"
1 7 ILE 0.286 0.080 11 0 "[ . 1 . 2]"
1 8 LYS 0.909 0.124 19 0 "[ . 1 . 2]"
1 9 LEU 3.768 0.243 3 0 "[ . 1 . 2]"
2 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 ALA 0.270 0.193 15 0 "[ . 1 . 2]"
2 9 SER 0.582 0.193 15 0 "[ . 1 . 2]"
2 10 TYR 1.788 0.162 13 0 "[ . 1 . 2]"
2 11 ASP 2.461 0.162 13 0 "[ . 1 . 2]"
2 12 SER 3.295 0.212 4 0 "[ . 1 . 2]"
2 13 GLU 4.169 0.233 5 0 "[ . 1 . 2]"
2 14 GLU 1.587 0.200 13 0 "[ . 1 . 2]"
2 16 GLU 1.102 0.105 16 0 "[ . 1 . 2]"
2 17 GLU 3.787 0.208 17 0 "[ . 1 . 2]"
2 18 GLY 3.122 0.208 17 0 "[ . 1 . 2]"
2 19 LEU 0.757 0.140 11 0 "[ . 1 . 2]"
2 20 PRO 0.601 0.068 13 0 "[ . 1 . 2]"
2 21 MET 2.492 0.135 19 0 "[ . 1 . 2]"
2 22 SER 2.794 0.134 8 0 "[ . 1 . 2]"
2 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 ASP 0.961 0.134 8 0 "[ . 1 . 2]"
2 25 GLU 3.597 0.152 13 0 "[ . 1 . 2]"
2 26 LYS 3.156 0.120 18 0 "[ . 1 . 2]"
2 27 ARG 1.303 0.086 17 0 "[ . 1 . 2]"
2 28 GLN 2.888 0.146 9 0 "[ . 1 . 2]"
2 29 LEU 2.004 0.120 18 0 "[ . 1 . 2]"
2 30 SER 2.311 0.170 8 0 "[ . 1 . 2]"
2 31 LEU 2.663 0.100 9 0 "[ . 1 . 2]"
2 32 ASP 0.884 0.101 14 0 "[ . 1 . 2]"
2 33 ILE 4.045 0.169 15 0 "[ . 1 . 2]"
2 34 ASN 0.344 0.047 7 0 "[ . 1 . 2]"
2 35 ARG 1.599 0.100 9 0 "[ . 1 . 2]"
2 36 LEU 1.890 0.082 10 0 "[ . 1 . 2]"
2 37 PRO 0.395 0.046 5 0 "[ . 1 . 2]"
2 38 GLY 1.713 0.122 14 0 "[ . 1 . 2]"
2 39 GLU 0.538 0.114 20 0 "[ . 1 . 2]"
2 40 LYS 1.384 0.115 1 0 "[ . 1 . 2]"
2 41 LEU 5.223 0.169 15 0 "[ . 1 . 2]"
2 42 GLY 0.366 0.055 20 0 "[ . 1 . 2]"
2 43 ARG 4.850 0.110 19 0 "[ . 1 . 2]"
2 44 VAL 2.845 0.150 13 0 "[ . 1 . 2]"
2 45 VAL 2.555 0.243 3 0 "[ . 1 . 2]"
2 46 HIS 2.726 0.125 13 0 "[ . 1 . 2]"
2 47 ILE 4.072 0.150 13 0 "[ . 1 . 2]"
2 48 ILE 3.011 0.129 16 0 "[ . 1 . 2]"
2 49 GLN 3.542 0.096 8 0 "[ . 1 . 2]"
2 50 SER 1.660 0.118 6 0 "[ . 1 . 2]"
2 51 ARG 1.000 0.127 17 0 "[ . 1 . 2]"
2 52 GLU 4.791 0.163 13 0 "[ . 1 . 2]"
2 53 PRO 2.143 0.163 13 0 "[ . 1 . 2]"
2 54 SER 1.022 0.057 19 0 "[ . 1 . 2]"
2 55 LEU 6.255 0.168 10 0 "[ . 1 . 2]"
2 56 ARG 5.207 0.168 10 0 "[ . 1 . 2]"
2 57 ASP 1.450 0.156 13 0 "[ . 1 . 2]"
2 58 SER 0.191 0.067 17 0 "[ . 1 . 2]"
2 59 ASN 1.169 0.121 11 0 "[ . 1 . 2]"
2 60 PRO 0.955 0.121 11 0 "[ . 1 . 2]"
2 61 ASP 1.566 0.130 1 0 "[ . 1 . 2]"
2 62 GLU 2.277 0.130 1 0 "[ . 1 . 2]"
2 63 ILE 2.921 0.179 14 0 "[ . 1 . 2]"
2 64 GLU 1.534 0.113 17 0 "[ . 1 . 2]"
2 65 ILE 1.245 0.103 2 0 "[ . 1 . 2]"
2 66 ASP 0.741 0.052 20 0 "[ . 1 . 2]"
2 67 PHE 0.750 0.068 8 0 "[ . 1 . 2]"
2 68 GLU 1.846 0.230 4 0 "[ . 1 . 2]"
2 69 THR 3.354 0.230 4 0 "[ . 1 . 2]"
2 70 LEU 3.875 0.106 20 0 "[ . 1 . 2]"
2 71 LYS 0.415 0.061 2 0 "[ . 1 . 2]"
2 72 PRO 2.362 0.145 10 0 "[ . 1 . 2]"
2 73 THR 2.548 0.113 11 0 "[ . 1 . 2]"
2 74 THR 3.269 0.127 17 0 "[ . 1 . 2]"
2 75 LEU 3.500 0.106 20 0 "[ . 1 . 2]"
2 76 ARG 1.234 0.116 1 0 "[ . 1 . 2]"
2 77 GLU 1.509 0.287 13 0 "[ . 1 . 2]"
2 78 LEU 3.497 0.179 14 0 "[ . 1 . 2]"
2 79 GLU 1.079 0.129 7 0 "[ . 1 . 2]"
2 80 ARG 2.062 0.158 14 0 "[ . 1 . 2]"
2 81 TYR 5.214 0.102 20 0 "[ . 1 . 2]"
2 82 VAL 5.664 0.129 7 0 "[ . 1 . 2]"
2 83 LYS 4.106 0.102 20 0 "[ . 1 . 2]"
2 84 SER 2.787 0.180 16 0 "[ . 1 . 2]"
2 85 CYS 1.315 0.180 16 0 "[ . 1 . 2]"
2 86 LEU 1.989 0.125 13 0 "[ . 1 . 2]"
2 87 GLN 2.494 0.120 16 0 "[ . 1 . 2]"
2 88 LYS 0.067 0.067 8 0 "[ . 1 . 2]"
2 89 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 90 GLN 0.255 0.103 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PRO QG 2 68 GLU QG . . 5.180 4.207 2.040 5.194 0.014 11 0 "[ . 1 . 2]" 1
2 1 5 LEU QB 2 68 GLU QG . . 5.180 4.367 3.211 5.204 0.024 12 0 "[ . 1 . 2]" 1
3 1 5 LEU QD 2 21 MET ME . . 5.440 5.468 5.379 5.575 0.135 19 0 "[ . 1 . 2]" 1
4 1 5 LEU QD 2 26 LYS H . . 4.840 4.295 4.044 4.459 . 0 0 "[ . 1 . 2]" 1
5 1 5 LEU QD 2 26 LYS HA . . 4.860 3.623 3.321 3.922 . 0 0 "[ . 1 . 2]" 1
6 1 5 LEU QD 2 26 LYS HB2 . . 5.440 2.526 2.161 2.834 . 0 0 "[ . 1 . 2]" 1
7 1 5 LEU QD 2 26 LYS QE . . 5.280 4.060 2.630 5.308 0.028 7 0 "[ . 1 . 2]" 1
8 1 5 LEU QD 2 26 LYS QG . . 5.280 3.739 3.544 4.176 . 0 0 "[ . 1 . 2]" 1
9 1 5 LEU QD 2 27 ARG HA . . 3.560 2.060 1.738 2.325 . 0 0 "[ . 1 . 2]" 1
10 1 5 LEU QD 2 27 ARG QB . . 4.980 2.804 2.451 3.403 . 0 0 "[ . 1 . 2]" 1
11 1 5 LEU QD 2 27 ARG QD . . 4.310 2.502 1.882 4.304 . 0 0 "[ . 1 . 2]" 1
12 1 5 LEU QD 2 28 GLN H . . 5.440 4.460 4.195 4.634 . 0 0 "[ . 1 . 2]" 1
13 1 5 LEU QD 2 30 SER H . . 3.570 3.463 2.950 3.647 0.077 17 0 "[ . 1 . 2]" 1
14 1 5 LEU QD 2 30 SER QB . . 4.340 2.324 1.884 2.805 . 0 0 "[ . 1 . 2]" 1
15 1 5 LEU QD 2 31 LEU H . . 4.780 4.622 4.151 4.810 0.030 17 0 "[ . 1 . 2]" 1
16 1 5 LEU MD1 2 30 SER H . . 4.080 4.015 3.387 4.250 0.170 8 0 "[ . 1 . 2]" 1
17 1 5 LEU MD1 2 30 SER HA . . 5.500 4.808 4.147 5.490 . 0 0 "[ . 1 . 2]" 1
18 1 5 LEU MD2 2 30 SER H . . 4.080 3.845 3.009 4.157 0.077 4 0 "[ . 1 . 2]" 1
19 1 5 LEU MD2 2 30 SER HA . . 5.500 4.800 4.314 5.521 0.021 1 0 "[ . 1 . 2]" 1
20 1 7 ILE HB 2 65 ILE HB . . 5.500 4.229 2.071 5.536 0.036 9 0 "[ . 1 . 2]" 1
21 1 7 ILE HB 2 65 ILE MD . . 5.150 4.042 1.887 5.133 . 0 0 "[ . 1 . 2]" 1
22 1 7 ILE QG 2 63 ILE MG . . 5.340 4.500 2.673 5.420 0.080 11 0 "[ . 1 . 2]" 1
23 1 7 ILE QG 2 65 ILE MD . . 5.340 3.794 2.049 5.379 0.039 7 0 "[ . 1 . 2]" 1
24 1 7 ILE MG 2 65 ILE HB . . 4.950 2.878 1.882 4.766 . 0 0 "[ . 1 . 2]" 1
25 1 8 LYS HA 2 64 GLU H . . 5.500 4.943 4.397 5.485 . 0 0 "[ . 1 . 2]" 1
26 1 8 LYS HB3 2 62 GLU QB . . 5.340 4.430 2.825 5.348 0.008 18 0 "[ . 1 . 2]" 1
27 1 8 LYS HB3 2 62 GLU QG . . 4.260 3.248 1.946 4.384 0.124 19 0 "[ . 1 . 2]" 1
28 1 8 LYS QE 2 62 GLU QG . . 5.180 4.440 3.357 5.194 0.014 20 0 "[ . 1 . 2]" 1
29 1 8 LYS QE 2 64 GLU QB . . 5.180 4.478 2.986 5.226 0.046 9 0 "[ . 1 . 2]" 1
30 1 8 LYS QG 2 62 GLU QB . . 4.760 4.174 2.179 4.836 0.076 18 0 "[ . 1 . 2]" 1
31 1 8 LYS QG 2 62 GLU QG . . 4.610 3.192 2.303 4.648 0.038 20 0 "[ . 1 . 2]" 1
32 1 8 LYS QG 2 64 GLU QB . . 5.180 3.580 2.465 5.207 0.027 1 0 "[ . 1 . 2]" 1
33 1 9 LEU H 2 64 GLU H . . 5.500 5.371 4.872 5.599 0.099 1 0 "[ . 1 . 2]" 1
34 1 9 LEU HA 2 41 LEU QD . . 5.440 4.674 4.236 5.183 . 0 0 "[ . 1 . 2]" 1
35 1 9 LEU QB 2 65 ILE MD . . 5.340 4.901 3.617 5.443 0.103 2 0 "[ . 1 . 2]" 1
36 1 9 LEU MD1 2 41 LEU HB2 . . 5.500 4.010 2.294 5.445 . 0 0 "[ . 1 . 2]" 1
37 1 9 LEU MD2 2 33 ILE HB . . 5.500 5.355 3.670 5.602 0.102 6 0 "[ . 1 . 2]" 1
38 1 9 LEU MD2 2 33 ILE MD . . 5.500 4.850 3.984 5.527 0.027 7 0 "[ . 1 . 2]" 1
39 1 9 LEU MD2 2 41 LEU HB2 . . 5.500 4.506 3.192 5.469 . 0 0 "[ . 1 . 2]" 1
40 1 9 LEU MD2 2 41 LEU HB3 . . 5.500 4.043 3.482 4.935 . 0 0 "[ . 1 . 2]" 1
41 1 9 LEU MD2 2 44 VAL QG . . 5.440 4.645 3.972 5.479 0.039 14 0 "[ . 1 . 2]" 1
42 1 9 LEU HG 2 33 ILE MG . . 5.430 4.720 3.879 5.449 0.019 18 0 "[ . 1 . 2]" 1
43 1 9 LEU HG 2 41 LEU MD1 . . 3.980 3.000 2.197 3.995 0.015 12 0 "[ . 1 . 2]" 1
44 1 9 LEU HG 2 41 LEU QD . . 3.380 2.707 2.074 3.393 0.013 20 0 "[ . 1 . 2]" 1
45 1 9 LEU HG 2 41 LEU MD2 . . 3.980 3.394 2.168 4.127 0.147 6 0 "[ . 1 . 2]" 1
46 1 9 LEU HG 2 45 VAL MG1 . . 5.500 5.603 5.512 5.743 0.243 3 0 "[ . 1 . 2]" 1
47 1 9 LEU HG 2 45 VAL MG2 . . 5.500 3.999 3.500 4.560 . 0 0 "[ . 1 . 2]" 1
48 1 9 LEU HG 2 63 ILE MD . . 5.500 3.996 2.980 4.896 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU HG 2 63 ILE MG . . 5.500 2.537 1.728 3.669 . 0 0 "[ . 1 . 2]" 1
50 2 7 SER HA 2 7 SER QB . . 2.630 2.336 2.166 2.405 . 0 0 "[ . 1 . 2]" 1
51 2 8 ALA HA 2 9 SER H . . 2.400 2.224 2.092 2.593 0.193 15 0 "[ . 1 . 2]" 1
52 2 8 ALA MB 2 9 SER H . . 4.840 3.304 1.990 3.664 . 0 0 "[ . 1 . 2]" 1
53 2 8 ALA MB 2 9 SER HA . . 4.530 4.259 3.873 4.544 0.014 17 0 "[ . 1 . 2]" 1
54 2 9 SER HA 2 10 TYR HD1 . . 5.400 4.698 3.597 5.467 0.067 8 0 "[ . 1 . 2]" 1
55 2 9 SER QB 2 10 TYR H . . 4.360 3.243 2.374 4.000 . 0 0 "[ . 1 . 2]" 1
56 2 10 TYR H 2 10 TYR HB2 . . 4.140 3.043 2.423 3.967 . 0 0 "[ . 1 . 2]" 1
57 2 10 TYR H 2 10 TYR QB . . 3.580 2.748 2.387 3.412 . 0 0 "[ . 1 . 2]" 1
58 2 10 TYR H 2 10 TYR HB3 . . 4.140 3.553 2.776 4.071 . 0 0 "[ . 1 . 2]" 1
59 2 10 TYR H 2 10 TYR HD1 . . 4.670 3.175 2.028 4.379 . 0 0 "[ . 1 . 2]" 1
60 2 10 TYR H 2 11 ASP H . . 4.580 3.347 2.034 4.423 . 0 0 "[ . 1 . 2]" 1
61 2 10 TYR HA 2 10 TYR HD1 . . 4.160 3.311 2.127 4.202 0.042 12 0 "[ . 1 . 2]" 1
62 2 10 TYR HA 2 11 ASP H . . 3.230 2.606 1.978 3.391 0.161 18 0 "[ . 1 . 2]" 1
63 2 10 TYR QB 2 11 ASP H . . 3.740 2.976 1.754 3.754 0.014 1 0 "[ . 1 . 2]" 1
64 2 10 TYR HB2 2 11 ASP H . . 4.260 3.424 1.911 4.382 0.122 1 0 "[ . 1 . 2]" 1
65 2 10 TYR HB3 2 11 ASP H . . 4.260 3.626 1.775 4.267 0.007 2 0 "[ . 1 . 2]" 1
66 2 10 TYR HD1 2 11 ASP H . . 4.790 4.393 3.571 4.952 0.162 13 0 "[ . 1 . 2]" 1
67 2 11 ASP H 2 11 ASP HB2 . . 3.920 3.080 2.306 3.913 . 0 0 "[ . 1 . 2]" 1
68 2 11 ASP H 2 11 ASP HB3 . . 3.920 3.228 2.445 3.925 0.005 9 0 "[ . 1 . 2]" 1
69 2 11 ASP H 2 12 SER H . . 4.440 4.244 3.893 4.488 0.048 5 0 "[ . 1 . 2]" 1
70 2 11 ASP H 2 12 SER HA . . 5.170 4.843 4.171 5.241 0.071 1 0 "[ . 1 . 2]" 1
71 2 11 ASP HA 2 12 SER H . . 3.230 2.202 1.941 2.735 . 0 0 "[ . 1 . 2]" 1
72 2 11 ASP QB 2 12 SER H . . 3.620 3.209 2.103 3.709 0.089 18 0 "[ . 1 . 2]" 1
73 2 11 ASP HB2 2 12 SER H . . 4.150 3.806 2.725 4.290 0.140 20 0 "[ . 1 . 2]" 1
74 2 11 ASP HB3 2 12 SER H . . 4.150 3.695 2.118 4.182 0.032 7 0 "[ . 1 . 2]" 1
75 2 12 SER H 2 12 SER QB . . 3.200 2.717 2.336 3.248 0.048 13 0 "[ . 1 . 2]" 1
76 2 12 SER H 2 13 GLU H . . 4.410 4.007 2.331 4.475 0.065 5 0 "[ . 1 . 2]" 1
77 2 12 SER H 2 13 GLU QB . . 5.300 4.854 3.794 5.374 0.074 11 0 "[ . 1 . 2]" 1
78 2 12 SER HA 2 12 SER QB . . 2.420 2.292 2.149 2.458 0.038 18 0 "[ . 1 . 2]" 1
79 2 12 SER HA 2 13 GLU H . . 3.040 2.282 1.946 3.135 0.095 4 0 "[ . 1 . 2]" 1
80 2 12 SER HA 2 13 GLU HB2 . . 5.500 4.914 4.267 5.712 0.212 4 0 "[ . 1 . 2]" 1
81 2 12 SER HA 2 13 GLU QB . . 4.660 4.166 3.818 4.479 . 0 0 "[ . 1 . 2]" 1
82 2 12 SER HA 2 13 GLU HB3 . . 5.500 4.716 4.159 5.540 0.040 15 0 "[ . 1 . 2]" 1
83 2 12 SER QB 2 13 GLU H . . 3.250 3.040 2.001 3.451 0.201 3 0 "[ . 1 . 2]" 1
84 2 13 GLU H 2 13 GLU QG . . 4.110 3.310 1.922 4.343 0.233 5 0 "[ . 1 . 2]" 1
85 2 13 GLU H 2 14 GLU H . . 4.430 4.299 4.135 4.456 0.026 9 0 "[ . 1 . 2]" 1
86 2 13 GLU HA 2 13 GLU QB . . 2.520 2.298 2.129 2.449 . 0 0 "[ . 1 . 2]" 1
87 2 13 GLU HA 2 13 GLU QG . . 3.600 2.931 2.398 3.556 . 0 0 "[ . 1 . 2]" 1
88 2 13 GLU HA 2 14 GLU H . . 2.810 2.351 1.968 2.805 . 0 0 "[ . 1 . 2]" 1
89 2 13 GLU QB 2 14 GLU H . . 3.040 2.706 1.967 3.240 0.200 13 0 "[ . 1 . 2]" 1
90 2 13 GLU HB2 2 14 GLU H . . 3.810 3.209 2.054 3.974 0.164 15 0 "[ . 1 . 2]" 1
91 2 13 GLU HB3 2 14 GLU H . . 3.810 3.341 1.989 3.830 0.020 9 0 "[ . 1 . 2]" 1
92 2 13 GLU QG 2 14 GLU H . . 3.830 2.914 1.777 3.913 0.083 1 0 "[ . 1 . 2]" 1
93 2 16 GLU HA 2 16 GLU QG . . 2.750 2.568 2.350 2.830 0.080 16 0 "[ . 1 . 2]" 1
94 2 16 GLU HA 2 17 GLU H . . 3.330 3.356 3.035 3.435 0.105 16 0 "[ . 1 . 2]" 1
95 2 16 GLU QB 2 17 GLU H . . 4.070 2.791 1.882 3.716 . 0 0 "[ . 1 . 2]" 1
96 2 17 GLU H 2 17 GLU QB . . 3.170 2.584 2.135 3.058 . 0 0 "[ . 1 . 2]" 1
97 2 17 GLU H 2 17 GLU QG . . 3.390 2.495 1.870 3.431 0.041 5 0 "[ . 1 . 2]" 1
98 2 17 GLU H 2 18 GLY H . . 3.420 2.622 2.207 3.086 . 0 0 "[ . 1 . 2]" 1
99 2 17 GLU H 2 18 GLY HA2 . . 5.260 4.952 4.174 5.268 0.008 19 0 "[ . 1 . 2]" 1
100 2 17 GLU H 2 18 GLY HA3 . . 4.870 4.548 4.120 4.879 0.009 19 0 "[ . 1 . 2]" 1
101 2 17 GLU H 2 73 THR MG . . 4.990 4.331 1.695 5.038 0.048 19 0 "[ . 1 . 2]" 1
102 2 17 GLU HA 2 17 GLU QB . . 2.560 2.285 2.140 2.440 . 0 0 "[ . 1 . 2]" 1
103 2 17 GLU HA 2 18 GLY H . . 3.100 3.046 2.816 3.308 0.208 17 0 "[ . 1 . 2]" 1
104 2 17 GLU HA 2 19 LEU H . . 4.220 3.790 3.344 4.285 0.065 11 0 "[ . 1 . 2]" 1
105 2 17 GLU HA 2 73 THR MG . . 4.170 3.903 3.057 4.256 0.086 18 0 "[ . 1 . 2]" 1
106 2 17 GLU QB 2 17 GLU QG . . 2.180 2.031 1.968 2.084 . 0 0 "[ . 1 . 2]" 1
107 2 17 GLU QB 2 72 PRO HB3 . . 5.340 5.309 4.649 5.442 0.102 12 0 "[ . 1 . 2]" 1
108 2 17 GLU QB 2 72 PRO HG2 . . 5.340 4.684 4.333 5.030 . 0 0 "[ . 1 . 2]" 1
109 2 17 GLU QB 2 73 THR H . . 3.920 3.875 3.593 4.033 0.113 11 0 "[ . 1 . 2]" 1
110 2 17 GLU QB 2 73 THR HA . . 3.820 1.954 1.762 2.642 . 0 0 "[ . 1 . 2]" 1
111 2 17 GLU QB 2 73 THR HB . . 5.040 3.804 3.431 4.749 . 0 0 "[ . 1 . 2]" 1
112 2 17 GLU QB 2 73 THR MG . . 3.590 2.050 1.753 2.687 . 0 0 "[ . 1 . 2]" 1
113 2 17 GLU QB 2 76 ARG HB3 . . 5.340 3.686 2.380 5.272 . 0 0 "[ . 1 . 2]" 1
114 2 17 GLU QG 2 18 GLY H . . 4.570 4.175 3.566 4.630 0.060 5 0 "[ . 1 . 2]" 1
115 2 17 GLU QG 2 73 THR HB . . 4.990 4.495 3.121 5.028 0.038 2 0 "[ . 1 . 2]" 1
116 2 17 GLU QG 2 73 THR MG . . 3.270 2.963 2.273 3.302 0.032 4 0 "[ . 1 . 2]" 1
117 2 18 GLY H 2 19 LEU H . . 3.730 2.014 1.807 2.423 . 0 0 "[ . 1 . 2]" 1
118 2 18 GLY H 2 19 LEU HA . . 5.130 4.448 4.219 5.062 . 0 0 "[ . 1 . 2]" 1
119 2 18 GLY H 2 19 LEU QB . . 4.080 3.871 3.669 4.172 0.092 17 0 "[ . 1 . 2]" 1
120 2 18 GLY H 2 19 LEU MD1 . . 5.220 4.402 4.163 4.678 . 0 0 "[ . 1 . 2]" 1
121 2 18 GLY H 2 19 LEU QD . . 4.440 3.845 3.454 4.148 . 0 0 "[ . 1 . 2]" 1
122 2 18 GLY H 2 19 LEU MD2 . . 5.220 4.252 3.688 4.700 . 0 0 "[ . 1 . 2]" 1
123 2 18 GLY H 2 19 LEU HG . . 3.400 3.164 2.693 3.540 0.140 11 0 "[ . 1 . 2]" 1
124 2 18 GLY H 2 72 PRO HB2 . . 3.420 3.416 2.736 3.565 0.145 10 0 "[ . 1 . 2]" 1
125 2 18 GLY H 2 72 PRO HG2 . . 5.500 4.679 3.380 5.097 . 0 0 "[ . 1 . 2]" 1
126 2 18 GLY H 2 73 THR MG . . 5.140 4.566 1.876 5.154 0.014 3 0 "[ . 1 . 2]" 1
127 2 18 GLY HA2 2 19 LEU H . . 3.250 3.053 2.775 3.258 0.008 1 0 "[ . 1 . 2]" 1
128 2 18 GLY HA2 2 72 PRO HB2 . . 3.510 2.744 2.491 2.921 . 0 0 "[ . 1 . 2]" 1
129 2 18 GLY HA2 2 72 PRO HG2 . . 3.950 2.554 2.097 3.026 . 0 0 "[ . 1 . 2]" 1
130 2 18 GLY HA2 2 73 THR MG . . 4.710 4.036 2.988 4.699 . 0 0 "[ . 1 . 2]" 1
131 2 18 GLY HA3 2 72 PRO HB2 . . 4.260 4.205 4.005 4.332 0.072 11 0 "[ . 1 . 2]" 1
132 2 18 GLY HA3 2 73 THR MG . . 5.060 4.809 3.961 5.132 0.072 17 0 "[ . 1 . 2]" 1
133 2 19 LEU H 2 19 LEU QB . . 3.060 2.503 2.215 2.991 . 0 0 "[ . 1 . 2]" 1
134 2 19 LEU H 2 19 LEU MD1 . . 4.480 3.679 2.931 4.024 . 0 0 "[ . 1 . 2]" 1
135 2 19 LEU H 2 19 LEU QD . . 3.870 3.210 2.835 3.443 . 0 0 "[ . 1 . 2]" 1
136 2 19 LEU H 2 19 LEU MD2 . . 4.480 3.596 3.306 3.773 . 0 0 "[ . 1 . 2]" 1
137 2 19 LEU H 2 19 LEU HG . . 3.010 2.574 2.097 2.971 . 0 0 "[ . 1 . 2]" 1
138 2 19 LEU H 2 20 PRO QD . . 4.920 4.214 3.888 4.426 . 0 0 "[ . 1 . 2]" 1
139 2 19 LEU H 2 72 PRO HB2 . . 3.320 2.907 2.267 3.326 0.006 1 0 "[ . 1 . 2]" 1
140 2 19 LEU H 2 72 PRO HB3 . . 3.630 3.283 2.574 3.644 0.014 11 0 "[ . 1 . 2]" 1
141 2 19 LEU HA 2 19 LEU QD . . 3.630 2.353 2.039 3.446 . 0 0 "[ . 1 . 2]" 1
142 2 19 LEU HA 2 20 PRO QD . . 3.310 1.956 1.900 2.052 . 0 0 "[ . 1 . 2]" 1
143 2 19 LEU HA 2 20 PRO HG2 . . 4.860 4.414 4.165 4.610 . 0 0 "[ . 1 . 2]" 1
144 2 19 LEU HA 2 20 PRO QG . . 4.160 3.835 3.658 3.944 . 0 0 "[ . 1 . 2]" 1
145 2 19 LEU HA 2 20 PRO HG3 . . 4.860 4.234 3.850 4.507 . 0 0 "[ . 1 . 2]" 1
146 2 19 LEU QB 2 19 LEU QD . . 2.360 1.947 1.933 1.964 . 0 0 "[ . 1 . 2]" 1
147 2 19 LEU QB 2 20 PRO QD . . 3.790 2.937 2.319 3.510 . 0 0 "[ . 1 . 2]" 1
148 2 19 LEU QD 2 20 PRO QD . . 3.920 3.075 2.809 3.614 . 0 0 "[ . 1 . 2]" 1
149 2 20 PRO HA 2 21 MET H . . 2.950 2.131 2.039 2.279 . 0 0 "[ . 1 . 2]" 1
150 2 20 PRO QB 2 21 MET H . . 3.220 3.195 2.886 3.288 0.068 13 0 "[ . 1 . 2]" 1
151 2 20 PRO HB2 2 21 MET H . . 4.000 3.629 3.207 3.904 . 0 0 "[ . 1 . 2]" 1
152 2 20 PRO HB3 2 21 MET H . . 4.000 3.591 3.157 3.930 . 0 0 "[ . 1 . 2]" 1
153 2 21 MET H 2 21 MET HB2 . . 3.290 2.474 2.384 2.592 . 0 0 "[ . 1 . 2]" 1
154 2 21 MET H 2 21 MET HB3 . . 3.910 3.648 3.579 3.730 . 0 0 "[ . 1 . 2]" 1
155 2 21 MET H 2 21 MET HG2 . . 4.120 3.246 2.461 3.941 . 0 0 "[ . 1 . 2]" 1
156 2 21 MET H 2 21 MET HG3 . . 4.120 3.172 2.507 4.002 . 0 0 "[ . 1 . 2]" 1
157 2 21 MET H 2 22 SER H . . 4.560 4.456 4.267 4.528 . 0 0 "[ . 1 . 2]" 1
158 2 21 MET H 2 26 LYS QG . . 5.340 4.716 4.324 4.990 . 0 0 "[ . 1 . 2]" 1
159 2 21 MET HA 2 21 MET ME . . 4.610 3.696 3.031 4.432 . 0 0 "[ . 1 . 2]" 1
160 2 21 MET HA 2 21 MET QG . . 3.610 2.616 2.337 3.025 . 0 0 "[ . 1 . 2]" 1
161 2 21 MET HA 2 22 SER H . . 3.280 2.154 2.065 2.229 . 0 0 "[ . 1 . 2]" 1
162 2 21 MET HA 2 25 GLU H . . 5.500 5.445 5.296 5.583 0.083 5 0 "[ . 1 . 2]" 1
163 2 21 MET HA 2 26 LYS H . . 5.500 5.321 4.967 5.561 0.061 5 0 "[ . 1 . 2]" 1
164 2 21 MET HB2 2 21 MET ME . . 3.810 3.146 2.273 3.479 . 0 0 "[ . 1 . 2]" 1
165 2 21 MET HB2 2 26 LYS H . . 5.180 4.746 4.079 5.138 . 0 0 "[ . 1 . 2]" 1
166 2 21 MET HB3 2 21 MET ME . . 4.280 2.131 2.031 2.598 . 0 0 "[ . 1 . 2]" 1
167 2 21 MET HB3 2 22 SER H . . 3.370 3.085 2.407 3.387 0.017 17 0 "[ . 1 . 2]" 1
168 2 21 MET HB3 2 25 GLU HB2 . . 2.950 2.577 1.974 2.974 0.024 16 0 "[ . 1 . 2]" 1
169 2 21 MET ME 2 21 MET HG2 . . 3.920 2.946 2.430 3.419 . 0 0 "[ . 1 . 2]" 1
170 2 21 MET ME 2 21 MET HG3 . . 3.920 2.932 2.376 3.431 . 0 0 "[ . 1 . 2]" 1
171 2 21 MET ME 2 25 GLU H . . 5.500 4.827 4.646 5.183 . 0 0 "[ . 1 . 2]" 1
172 2 21 MET ME 2 25 GLU HA . . 4.450 4.066 3.786 4.486 0.036 5 0 "[ . 1 . 2]" 1
173 2 21 MET ME 2 25 GLU HB2 . . 3.380 2.817 2.499 3.262 . 0 0 "[ . 1 . 2]" 1
174 2 21 MET ME 2 25 GLU HB3 . . 4.050 2.281 2.013 2.866 . 0 0 "[ . 1 . 2]" 1
175 2 21 MET ME 2 26 LYS HA . . 4.490 3.175 2.839 3.401 . 0 0 "[ . 1 . 2]" 1
176 2 21 MET ME 2 26 LYS QE . . 5.340 4.515 3.562 5.219 . 0 0 "[ . 1 . 2]" 1
177 2 21 MET ME 2 26 LYS QG . . 4.080 2.919 2.374 3.275 . 0 0 "[ . 1 . 2]" 1
178 2 21 MET ME 2 29 LEU HA . . 5.500 5.155 4.615 5.531 0.031 8 0 "[ . 1 . 2]" 1
179 2 21 MET ME 2 29 LEU HB2 . . 4.520 3.426 2.954 4.199 . 0 0 "[ . 1 . 2]" 1
180 2 21 MET ME 2 29 LEU QD . . 3.180 1.970 1.795 2.531 . 0 0 "[ . 1 . 2]" 1
181 2 21 MET ME 2 29 LEU HG . . 4.210 3.511 2.389 4.136 . 0 0 "[ . 1 . 2]" 1
182 2 21 MET ME 2 75 LEU HA . . 5.320 4.558 4.090 4.763 . 0 0 "[ . 1 . 2]" 1
183 2 21 MET ME 2 75 LEU MD2 . . 3.680 3.632 3.274 3.719 0.039 3 0 "[ . 1 . 2]" 1
184 2 21 MET ME 2 76 ARG H . . 4.640 4.554 4.014 4.701 0.061 7 0 "[ . 1 . 2]" 1
185 2 21 MET ME 2 76 ARG HA . . 4.160 3.439 2.909 4.157 . 0 0 "[ . 1 . 2]" 1
186 2 21 MET ME 2 79 GLU QB . . 4.690 2.895 2.406 3.506 . 0 0 "[ . 1 . 2]" 1
187 2 21 MET QG 2 22 SER H . . 5.340 4.245 3.767 4.726 . 0 0 "[ . 1 . 2]" 1
188 2 21 MET QG 2 25 GLU HB2 . . 5.140 4.317 3.724 4.775 . 0 0 "[ . 1 . 2]" 1
189 2 22 SER H 2 22 SER QB . . 3.640 2.455 2.199 2.781 . 0 0 "[ . 1 . 2]" 1
190 2 22 SER H 2 23 TYR H . . 4.950 4.562 4.446 4.651 . 0 0 "[ . 1 . 2]" 1
191 2 22 SER H 2 25 GLU H . . 4.340 3.600 3.481 3.737 . 0 0 "[ . 1 . 2]" 1
192 2 22 SER H 2 25 GLU HA . . 5.030 5.114 5.061 5.150 0.120 10 0 "[ . 1 . 2]" 1
193 2 22 SER H 2 25 GLU HB2 . . 3.270 2.493 2.366 2.655 . 0 0 "[ . 1 . 2]" 1
194 2 22 SER H 2 25 GLU HB3 . . 3.800 3.766 3.532 3.842 0.042 12 0 "[ . 1 . 2]" 1
195 2 22 SER H 2 25 GLU QG . . 4.250 2.651 1.968 2.965 . 0 0 "[ . 1 . 2]" 1
196 2 22 SER H 2 26 LYS H . . 4.490 4.219 4.072 4.470 . 0 0 "[ . 1 . 2]" 1
197 2 22 SER H 2 26 LYS QE . . 4.580 4.562 4.141 4.649 0.069 8 0 "[ . 1 . 2]" 1
198 2 22 SER H 2 26 LYS QG . . 5.040 4.084 3.778 4.287 . 0 0 "[ . 1 . 2]" 1
199 2 22 SER HA 2 24 ASP H . . 4.230 4.237 4.117 4.364 0.134 8 0 "[ . 1 . 2]" 1
200 2 22 SER QB 2 25 GLU H . . 4.140 2.789 2.330 3.657 . 0 0 "[ . 1 . 2]" 1
201 2 23 TYR H 2 24 ASP H . . 4.030 2.665 2.509 2.869 . 0 0 "[ . 1 . 2]" 1
202 2 23 TYR HA 2 23 TYR QB . . 2.480 2.323 2.177 2.440 . 0 0 "[ . 1 . 2]" 1
203 2 23 TYR HA 2 26 LYS H . . 4.100 3.543 3.272 3.820 . 0 0 "[ . 1 . 2]" 1
204 2 23 TYR HA 2 26 LYS HB2 . . 4.590 2.702 2.389 3.076 . 0 0 "[ . 1 . 2]" 1
205 2 23 TYR QB 2 24 ASP H . . 3.620 2.958 2.392 3.618 . 0 0 "[ . 1 . 2]" 1
206 2 23 TYR HB2 2 24 ASP H . . 4.170 3.346 2.435 4.068 . 0 0 "[ . 1 . 2]" 1
207 2 23 TYR HB3 2 24 ASP H . . 4.170 3.637 2.805 4.169 . 0 0 "[ . 1 . 2]" 1
208 2 24 ASP H 2 24 ASP QB . . 2.920 2.389 2.190 2.636 . 0 0 "[ . 1 . 2]" 1
209 2 24 ASP H 2 25 GLU H . . 2.700 2.650 2.513 2.732 0.032 9 0 "[ . 1 . 2]" 1
210 2 24 ASP H 2 26 LYS H . . 4.270 4.172 4.034 4.297 0.027 20 0 "[ . 1 . 2]" 1
211 2 24 ASP H 2 26 LYS HB2 . . 5.500 5.101 4.915 5.242 . 0 0 "[ . 1 . 2]" 1
212 2 24 ASP H 2 27 ARG QB . . 4.990 4.494 4.197 4.685 . 0 0 "[ . 1 . 2]" 1
213 2 24 ASP HA 2 27 ARG HB2 . . 4.190 3.335 2.589 4.208 0.018 9 0 "[ . 1 . 2]" 1
214 2 24 ASP HA 2 27 ARG HB3 . . 4.190 2.535 2.022 2.885 . 0 0 "[ . 1 . 2]" 1
215 2 24 ASP HA 2 27 ARG QG . . 3.990 3.848 3.544 4.070 0.080 19 0 "[ . 1 . 2]" 1
216 2 24 ASP HA 2 28 GLN H . . 4.300 3.939 3.652 4.140 . 0 0 "[ . 1 . 2]" 1
217 2 24 ASP QB 2 25 GLU H . . 3.580 2.683 2.200 3.542 . 0 0 "[ . 1 . 2]" 1
218 2 24 ASP HB2 2 25 GLU H . . 4.210 3.547 2.235 4.024 . 0 0 "[ . 1 . 2]" 1
219 2 24 ASP HB3 2 25 GLU H . . 4.210 3.029 2.218 4.093 . 0 0 "[ . 1 . 2]" 1
220 2 25 GLU H 2 25 GLU HB2 . . 3.650 2.466 2.317 2.575 . 0 0 "[ . 1 . 2]" 1
221 2 25 GLU H 2 25 GLU HB3 . . 3.720 3.531 3.466 3.579 . 0 0 "[ . 1 . 2]" 1
222 2 25 GLU H 2 25 GLU HG2 . . 3.140 2.995 1.765 3.218 0.078 1 0 "[ . 1 . 2]" 1
223 2 25 GLU H 2 25 GLU HG3 . . 3.140 2.221 1.932 3.292 0.152 13 0 "[ . 1 . 2]" 1
224 2 25 GLU H 2 26 LYS H . . 3.690 2.729 2.544 2.832 . 0 0 "[ . 1 . 2]" 1
225 2 25 GLU H 2 26 LYS HB2 . . 5.500 4.793 4.603 4.957 . 0 0 "[ . 1 . 2]" 1
226 2 25 GLU H 2 27 ARG H . . 4.650 4.096 3.838 4.218 . 0 0 "[ . 1 . 2]" 1
227 2 25 GLU HA 2 25 GLU HG2 . . 3.850 2.522 2.397 3.005 . 0 0 "[ . 1 . 2]" 1
228 2 25 GLU HA 2 25 GLU QG . . 3.030 2.425 2.303 2.890 . 0 0 "[ . 1 . 2]" 1
229 2 25 GLU HA 2 25 GLU HG3 . . 3.850 3.153 2.930 3.754 . 0 0 "[ . 1 . 2]" 1
230 2 25 GLU HA 2 28 GLN H . . 4.120 3.681 3.451 3.962 . 0 0 "[ . 1 . 2]" 1
231 2 25 GLU HA 2 28 GLN QB . . 4.610 2.981 2.694 3.343 . 0 0 "[ . 1 . 2]" 1
232 2 25 GLU HA 2 29 LEU H . . 5.320 4.143 3.830 4.491 . 0 0 "[ . 1 . 2]" 1
233 2 25 GLU HB2 2 26 LYS H . . 2.550 2.340 2.239 2.442 . 0 0 "[ . 1 . 2]" 1
234 2 25 GLU HB3 2 26 LYS H . . 3.760 3.447 3.286 3.561 . 0 0 "[ . 1 . 2]" 1
235 2 25 GLU QG 2 26 LYS H . . 4.450 3.846 3.679 3.928 . 0 0 "[ . 1 . 2]" 1
236 2 26 LYS H 2 26 LYS HB2 . . 2.920 2.461 2.351 2.569 . 0 0 "[ . 1 . 2]" 1
237 2 26 LYS H 2 26 LYS HB3 . . 3.660 3.572 3.547 3.608 . 0 0 "[ . 1 . 2]" 1
238 2 26 LYS H 2 26 LYS QE . . 4.280 3.925 3.314 4.313 0.033 11 0 "[ . 1 . 2]" 1
239 2 26 LYS H 2 26 LYS HG2 . . 3.840 3.329 3.156 3.472 . 0 0 "[ . 1 . 2]" 1
240 2 26 LYS H 2 26 LYS QG . . 3.130 2.125 1.948 2.265 . 0 0 "[ . 1 . 2]" 1
241 2 26 LYS H 2 26 LYS HG3 . . 3.840 2.150 1.965 2.298 . 0 0 "[ . 1 . 2]" 1
242 2 26 LYS H 2 27 ARG H . . 2.790 2.705 2.520 2.796 0.006 15 0 "[ . 1 . 2]" 1
243 2 26 LYS H 2 27 ARG QB . . 4.700 4.397 4.106 4.523 . 0 0 "[ . 1 . 2]" 1
244 2 26 LYS H 2 28 GLN H . . 4.500 4.284 4.107 4.455 . 0 0 "[ . 1 . 2]" 1
245 2 26 LYS H 2 29 LEU H . . 5.500 4.619 4.546 4.763 . 0 0 "[ . 1 . 2]" 1
246 2 26 LYS H 2 29 LEU QD . . 4.530 4.576 4.351 4.650 0.120 18 0 "[ . 1 . 2]" 1
247 2 26 LYS HA 2 29 LEU H . . 3.490 3.425 3.252 3.540 0.050 15 0 "[ . 1 . 2]" 1
248 2 26 LYS HA 2 29 LEU HB2 . . 4.090 2.620 2.221 3.061 . 0 0 "[ . 1 . 2]" 1
249 2 26 LYS HA 2 29 LEU HB3 . . 5.180 2.835 2.400 3.858 . 0 0 "[ . 1 . 2]" 1
250 2 26 LYS HA 2 29 LEU QD . . 4.130 2.755 2.560 3.158 . 0 0 "[ . 1 . 2]" 1
251 2 26 LYS HA 2 29 LEU HG . . 5.060 4.502 3.417 5.055 . 0 0 "[ . 1 . 2]" 1
252 2 26 LYS HB2 2 26 LYS QE . . 5.050 3.231 2.010 3.981 . 0 0 "[ . 1 . 2]" 1
253 2 26 LYS HB2 2 27 ARG H . . 2.400 2.447 2.399 2.486 0.086 17 0 "[ . 1 . 2]" 1
254 2 26 LYS HB2 2 28 GLN H . . 5.070 5.057 4.951 5.117 0.047 2 0 "[ . 1 . 2]" 1
255 2 26 LYS QE 2 26 LYS QG . . 3.320 2.229 2.106 2.359 . 0 0 "[ . 1 . 2]" 1
256 2 27 ARG H 2 27 ARG HB2 . . 2.720 2.523 2.379 2.728 0.008 9 0 "[ . 1 . 2]" 1
257 2 27 ARG H 2 27 ARG HB3 . . 2.720 2.528 2.369 2.685 . 0 0 "[ . 1 . 2]" 1
258 2 27 ARG H 2 27 ARG QD . . 4.640 4.319 4.046 4.622 . 0 0 "[ . 1 . 2]" 1
259 2 27 ARG H 2 28 GLN H . . 3.860 2.823 2.726 2.919 . 0 0 "[ . 1 . 2]" 1
260 2 27 ARG H 2 29 LEU H . . 4.910 4.036 3.884 4.112 . 0 0 "[ . 1 . 2]" 1
261 2 27 ARG HA 2 27 ARG QG . . 3.710 2.962 2.585 3.251 . 0 0 "[ . 1 . 2]" 1
262 2 27 ARG QB 2 27 ARG QD . . 3.260 2.503 2.083 2.889 . 0 0 "[ . 1 . 2]" 1
263 2 27 ARG QB 2 28 GLN HA . . 5.340 4.153 4.009 4.375 . 0 0 "[ . 1 . 2]" 1
264 2 27 ARG QB 2 29 LEU H . . 5.340 4.572 4.448 4.719 . 0 0 "[ . 1 . 2]" 1
265 2 27 ARG QB 2 31 LEU MD1 . . 5.340 4.306 3.980 4.679 . 0 0 "[ . 1 . 2]" 1
266 2 27 ARG HB2 2 28 GLN H . . 3.980 3.813 3.612 4.007 0.027 9 0 "[ . 1 . 2]" 1
267 2 27 ARG HB3 2 28 GLN H . . 3.980 2.461 2.223 2.711 . 0 0 "[ . 1 . 2]" 1
268 2 27 ARG QD 2 28 GLN H . . 5.210 4.583 4.272 4.803 . 0 0 "[ . 1 . 2]" 1
269 2 27 ARG QD 2 31 LEU MD2 . . 4.760 3.451 2.007 4.810 0.050 19 0 "[ . 1 . 2]" 1
270 2 27 ARG HD2 2 31 LEU MD2 . . 5.500 3.704 2.114 5.419 . 0 0 "[ . 1 . 2]" 1
271 2 27 ARG HD3 2 31 LEU MD2 . . 5.500 4.318 2.501 5.473 . 0 0 "[ . 1 . 2]" 1
272 2 27 ARG QG 2 28 GLN H . . 4.680 3.452 3.189 3.699 . 0 0 "[ . 1 . 2]" 1
273 2 27 ARG QG 2 28 GLN HA . . 5.340 3.549 3.264 3.834 . 0 0 "[ . 1 . 2]" 1
274 2 27 ARG QG 2 29 LEU H . . 5.340 5.254 5.042 5.365 0.025 13 0 "[ . 1 . 2]" 1
275 2 27 ARG QG 2 31 LEU H . . 5.340 4.757 4.482 5.032 . 0 0 "[ . 1 . 2]" 1
276 2 27 ARG QG 2 31 LEU MD1 . . 4.240 2.794 2.268 3.194 . 0 0 "[ . 1 . 2]" 1
277 2 27 ARG QG 2 31 LEU MD2 . . 4.690 3.356 2.959 3.787 . 0 0 "[ . 1 . 2]" 1
278 2 27 ARG HG2 2 31 LEU MD2 . . 5.500 4.532 3.550 5.219 . 0 0 "[ . 1 . 2]" 1
279 2 27 ARG HG3 2 31 LEU MD2 . . 5.500 3.481 3.029 3.922 . 0 0 "[ . 1 . 2]" 1
280 2 28 GLN H 2 28 GLN QB . . 2.870 2.105 2.054 2.184 . 0 0 "[ . 1 . 2]" 1
281 2 28 GLN H 2 28 GLN QG . . 3.750 3.740 3.077 3.896 0.146 9 0 "[ . 1 . 2]" 1
282 2 28 GLN H 2 29 LEU H . . 2.980 2.572 2.469 2.656 . 0 0 "[ . 1 . 2]" 1
283 2 28 GLN H 2 29 LEU HA . . 5.330 5.194 5.106 5.254 . 0 0 "[ . 1 . 2]" 1
284 2 28 GLN H 2 29 LEU QD . . 5.440 5.222 4.288 5.446 0.006 11 0 "[ . 1 . 2]" 1
285 2 28 GLN H 2 31 LEU MD1 . . 4.310 4.234 4.068 4.323 0.013 14 0 "[ . 1 . 2]" 1
286 2 28 GLN HA 2 28 GLN HE21 . . 4.560 2.633 1.731 3.096 . 0 0 "[ . 1 . 2]" 1
287 2 28 GLN HA 2 28 GLN QE . . 4.010 2.561 1.723 2.918 . 0 0 "[ . 1 . 2]" 1
288 2 28 GLN HA 2 28 GLN HE22 . . 4.560 3.750 3.129 4.292 . 0 0 "[ . 1 . 2]" 1
289 2 28 GLN HA 2 28 GLN QG . . 3.260 2.606 2.276 3.155 . 0 0 "[ . 1 . 2]" 1
290 2 28 GLN HA 2 31 LEU H . . 3.250 3.221 3.077 3.315 0.065 8 0 "[ . 1 . 2]" 1
291 2 28 GLN HA 2 31 LEU HB2 . . 4.110 2.772 2.515 2.882 . 0 0 "[ . 1 . 2]" 1
292 2 28 GLN HA 2 31 LEU HB3 . . 4.310 4.182 3.982 4.293 . 0 0 "[ . 1 . 2]" 1
293 2 28 GLN HA 2 31 LEU MD1 . . 3.650 2.082 1.996 2.225 . 0 0 "[ . 1 . 2]" 1
294 2 28 GLN HA 2 31 LEU MD2 . . 4.090 4.036 3.851 4.135 0.045 6 0 "[ . 1 . 2]" 1
295 2 28 GLN HA 2 31 LEU HG . . 4.540 2.479 2.247 2.586 . 0 0 "[ . 1 . 2]" 1
296 2 28 GLN HA 2 32 ASP H . . 4.300 4.132 3.855 4.351 0.051 16 0 "[ . 1 . 2]" 1
297 2 28 GLN QB 2 28 GLN QE . . 3.540 3.104 2.158 3.421 . 0 0 "[ . 1 . 2]" 1
298 2 28 GLN QB 2 31 LEU H . . 4.980 4.794 4.640 4.919 . 0 0 "[ . 1 . 2]" 1
299 2 28 GLN QE 2 28 GLN QG . . 3.000 2.308 2.070 2.782 . 0 0 "[ . 1 . 2]" 1
300 2 28 GLN QE 2 31 LEU HB2 . . 3.790 2.272 1.843 2.462 . 0 0 "[ . 1 . 2]" 1
301 2 28 GLN QE 2 31 LEU HB3 . . 3.600 3.405 2.968 3.653 0.053 14 0 "[ . 1 . 2]" 1
302 2 28 GLN QE 2 31 LEU HG . . 4.100 3.869 3.213 4.125 0.025 13 0 "[ . 1 . 2]" 1
303 2 28 GLN QE 2 32 ASP H . . 3.260 2.985 2.694 3.279 0.019 10 0 "[ . 1 . 2]" 1
304 2 28 GLN QE 2 32 ASP QB . . 5.180 3.540 3.243 4.185 . 0 0 "[ . 1 . 2]" 1
305 2 28 GLN HE21 2 31 LEU HB2 . . 4.370 2.418 1.908 2.756 . 0 0 "[ . 1 . 2]" 1
306 2 28 GLN HE21 2 31 LEU MD1 . . 4.180 2.927 2.346 3.803 . 0 0 "[ . 1 . 2]" 1
307 2 28 GLN HE21 2 32 ASP H . . 3.810 3.243 2.768 3.796 . 0 0 "[ . 1 . 2]" 1
308 2 28 GLN HE22 2 31 LEU HB2 . . 4.370 2.960 2.359 3.565 . 0 0 "[ . 1 . 2]" 1
309 2 28 GLN HE22 2 31 LEU MD1 . . 4.180 3.485 2.427 4.212 0.032 17 0 "[ . 1 . 2]" 1
310 2 28 GLN HE22 2 32 ASP H . . 3.810 3.663 3.378 3.882 0.072 3 0 "[ . 1 . 2]" 1
311 2 28 GLN QG 2 31 LEU H . . 5.180 5.099 4.900 5.219 0.039 20 0 "[ . 1 . 2]" 1
312 2 29 LEU H 2 29 LEU HB2 . . 2.400 2.128 2.030 2.250 . 0 0 "[ . 1 . 2]" 1
313 2 29 LEU H 2 29 LEU HB3 . . 3.440 2.827 2.546 3.425 . 0 0 "[ . 1 . 2]" 1
314 2 29 LEU H 2 29 LEU HG . . 4.640 4.176 3.958 4.358 . 0 0 "[ . 1 . 2]" 1
315 2 29 LEU H 2 30 SER H . . 3.440 2.738 2.617 2.917 . 0 0 "[ . 1 . 2]" 1
316 2 29 LEU H 2 30 SER HA . . 5.500 5.309 5.222 5.369 . 0 0 "[ . 1 . 2]" 1
317 2 29 LEU H 2 32 ASP H . . 5.500 4.728 4.541 4.962 . 0 0 "[ . 1 . 2]" 1
318 2 29 LEU HA 2 29 LEU MD1 . . 3.810 3.549 2.038 3.842 0.032 9 0 "[ . 1 . 2]" 1
319 2 29 LEU HA 2 29 LEU QD . . 3.320 2.524 1.850 2.882 . 0 0 "[ . 1 . 2]" 1
320 2 29 LEU HA 2 29 LEU MD2 . . 3.810 2.617 2.110 2.986 . 0 0 "[ . 1 . 2]" 1
321 2 29 LEU HA 2 32 ASP QB . . 4.500 2.821 2.464 3.274 . 0 0 "[ . 1 . 2]" 1
322 2 29 LEU HB2 2 30 SER H . . 4.110 3.507 2.922 3.785 . 0 0 "[ . 1 . 2]" 1
323 2 29 LEU HB3 2 30 SER H . . 3.420 2.638 2.354 3.055 . 0 0 "[ . 1 . 2]" 1
324 2 29 LEU QD 2 30 SER HA . . 4.510 3.604 3.061 4.562 0.052 7 0 "[ . 1 . 2]" 1
325 2 29 LEU QD 2 67 PHE HE1 . . 4.170 2.966 1.775 4.234 0.064 10 0 "[ . 1 . 2]" 1
326 2 29 LEU QD 2 79 GLU H . . 3.310 2.618 2.360 2.783 . 0 0 "[ . 1 . 2]" 1
327 2 29 LEU HG 2 79 GLU H . . 4.870 3.758 3.004 4.328 . 0 0 "[ . 1 . 2]" 1
328 2 30 SER H 2 30 SER HB2 . . 3.790 2.667 2.407 3.623 . 0 0 "[ . 1 . 2]" 1
329 2 30 SER H 2 30 SER QB . . 3.290 2.389 2.167 2.770 . 0 0 "[ . 1 . 2]" 1
330 2 30 SER H 2 30 SER HB3 . . 3.790 2.918 2.415 3.578 . 0 0 "[ . 1 . 2]" 1
331 2 30 SER H 2 31 LEU HG . . 3.980 4.022 3.985 4.053 0.073 2 0 "[ . 1 . 2]" 1
332 2 30 SER HA 2 33 ILE H . . 4.280 3.483 3.110 3.816 . 0 0 "[ . 1 . 2]" 1
333 2 30 SER HA 2 33 ILE HB . . 4.510 2.748 2.142 3.165 . 0 0 "[ . 1 . 2]" 1
334 2 30 SER HA 2 33 ILE MD . . 3.400 3.034 2.476 3.417 0.017 12 0 "[ . 1 . 2]" 1
335 2 30 SER HA 2 33 ILE MG . . 4.890 4.055 3.495 4.422 . 0 0 "[ . 1 . 2]" 1
336 2 30 SER HA 2 67 PHE HE1 . . 4.870 3.946 3.306 4.925 0.055 8 0 "[ . 1 . 2]" 1
337 2 30 SER HA 2 67 PHE HZ . . 4.410 2.572 2.233 3.191 . 0 0 "[ . 1 . 2]" 1
338 2 30 SER QB 2 31 LEU H . . 3.560 2.835 2.510 3.578 0.018 2 0 "[ . 1 . 2]" 1
339 2 30 SER QB 2 31 LEU MD2 . . 5.270 3.482 3.066 4.158 . 0 0 "[ . 1 . 2]" 1
340 2 30 SER QB 2 33 ILE H . . 5.340 4.994 4.675 5.207 . 0 0 "[ . 1 . 2]" 1
341 2 30 SER HB2 2 31 LEU H . . 4.240 3.502 2.551 4.056 . 0 0 "[ . 1 . 2]" 1
342 2 30 SER HB3 2 31 LEU H . . 4.240 3.382 2.719 4.272 0.032 4 0 "[ . 1 . 2]" 1
343 2 31 LEU H 2 31 LEU HB2 . . 3.280 2.556 2.428 2.624 . 0 0 "[ . 1 . 2]" 1
344 2 31 LEU H 2 31 LEU HB3 . . 3.710 3.595 3.550 3.626 . 0 0 "[ . 1 . 2]" 1
345 2 31 LEU H 2 31 LEU MD2 . . 3.710 3.120 3.003 3.208 . 0 0 "[ . 1 . 2]" 1
346 2 31 LEU H 2 31 LEU HG . . 3.240 2.173 2.081 2.245 . 0 0 "[ . 1 . 2]" 1
347 2 31 LEU H 2 32 ASP H . . 3.420 2.558 2.418 2.735 . 0 0 "[ . 1 . 2]" 1
348 2 31 LEU H 2 32 ASP QB . . 5.310 4.547 4.287 4.772 . 0 0 "[ . 1 . 2]" 1
349 2 31 LEU HA 2 31 LEU MD1 . . 4.300 3.886 3.857 3.910 . 0 0 "[ . 1 . 2]" 1
350 2 31 LEU HA 2 31 LEU MD2 . . 3.250 2.148 2.070 2.235 . 0 0 "[ . 1 . 2]" 1
351 2 31 LEU HA 2 31 LEU HG . . 3.940 3.255 3.184 3.332 . 0 0 "[ . 1 . 2]" 1
352 2 31 LEU HA 2 33 ILE H . . 4.750 4.415 4.250 4.548 . 0 0 "[ . 1 . 2]" 1
353 2 31 LEU HA 2 34 ASN H . . 4.310 3.372 3.093 3.702 . 0 0 "[ . 1 . 2]" 1
354 2 31 LEU HA 2 34 ASN QB . . 3.760 2.618 2.246 3.048 . 0 0 "[ . 1 . 2]" 1
355 2 31 LEU HA 2 35 ARG H . . 4.280 4.303 4.064 4.380 0.100 9 0 "[ . 1 . 2]" 1
356 2 31 LEU HB2 2 31 LEU MD1 . . 3.610 2.337 2.290 2.365 . 0 0 "[ . 1 . 2]" 1
357 2 31 LEU HB2 2 32 ASP H . . 3.310 2.458 2.198 2.655 . 0 0 "[ . 1 . 2]" 1
358 2 31 LEU HB2 2 32 ASP HA . . 4.420 4.151 4.008 4.307 . 0 0 "[ . 1 . 2]" 1
359 2 31 LEU HB2 2 33 ILE H . . 5.180 4.934 4.730 5.033 . 0 0 "[ . 1 . 2]" 1
360 2 31 LEU HB3 2 31 LEU MD2 . . 3.500 2.413 2.390 2.468 . 0 0 "[ . 1 . 2]" 1
361 2 31 LEU HB3 2 32 ASP H . . 3.780 3.629 3.313 3.784 0.004 13 0 "[ . 1 . 2]" 1
362 2 31 LEU MD2 2 34 ASN H . . 5.320 4.977 4.691 5.225 . 0 0 "[ . 1 . 2]" 1
363 2 31 LEU MD2 2 34 ASN QB . . 4.080 3.753 3.259 4.127 0.047 7 0 "[ . 1 . 2]" 1
364 2 31 LEU HG 2 32 ASP H . . 4.170 4.066 3.951 4.179 0.009 13 0 "[ . 1 . 2]" 1
365 2 32 ASP H 2 32 ASP HB2 . . 3.720 2.437 2.315 2.533 . 0 0 "[ . 1 . 2]" 1
366 2 32 ASP H 2 32 ASP QB . . 3.200 2.401 2.288 2.487 . 0 0 "[ . 1 . 2]" 1
367 2 32 ASP H 2 32 ASP HB3 . . 3.720 3.624 3.564 3.666 . 0 0 "[ . 1 . 2]" 1
368 2 32 ASP H 2 33 ILE HA . . 5.500 5.293 5.231 5.420 . 0 0 "[ . 1 . 2]" 1
369 2 32 ASP H 2 35 ARG QD . . 4.270 4.082 3.806 4.282 0.012 13 0 "[ . 1 . 2]" 1
370 2 32 ASP H 2 82 VAL MG1 . . 5.340 5.118 4.832 5.371 0.031 13 0 "[ . 1 . 2]" 1
371 2 32 ASP HA 2 34 ASN H . . 5.180 4.149 3.945 4.287 . 0 0 "[ . 1 . 2]" 1
372 2 32 ASP HA 2 35 ARG H . . 3.810 3.111 2.980 3.319 . 0 0 "[ . 1 . 2]" 1
373 2 32 ASP HA 2 35 ARG HB3 . . 4.160 3.852 3.635 4.109 . 0 0 "[ . 1 . 2]" 1
374 2 32 ASP HA 2 35 ARG QD . . 3.760 1.936 1.867 2.044 . 0 0 "[ . 1 . 2]" 1
375 2 32 ASP HA 2 35 ARG QG . . 4.720 2.838 2.502 3.027 . 0 0 "[ . 1 . 2]" 1
376 2 32 ASP HA 2 86 LEU QD . . 4.210 2.676 2.317 3.228 . 0 0 "[ . 1 . 2]" 1
377 2 32 ASP HA 2 86 LEU HG . . 4.980 4.661 3.180 5.081 0.101 14 0 "[ . 1 . 2]" 1
378 2 32 ASP QB 2 82 VAL H . . 5.290 5.117 4.966 5.300 0.010 14 0 "[ . 1 . 2]" 1
379 2 32 ASP QB 2 82 VAL MG1 . . 3.910 3.135 2.866 3.336 . 0 0 "[ . 1 . 2]" 1
380 2 32 ASP QB 2 86 LEU QD . . 3.760 2.257 2.069 2.894 . 0 0 "[ . 1 . 2]" 1
381 2 32 ASP HB2 2 33 ILE H . . 4.080 2.883 2.544 3.236 . 0 0 "[ . 1 . 2]" 1
382 2 32 ASP HB2 2 35 ARG H . . 5.500 5.364 5.223 5.501 0.001 14 0 "[ . 1 . 2]" 1
383 2 32 ASP HB2 2 82 VAL MG1 . . 4.640 3.555 3.056 3.805 . 0 0 "[ . 1 . 2]" 1
384 2 32 ASP HB2 2 82 VAL MG2 . . 3.380 2.343 2.166 2.540 . 0 0 "[ . 1 . 2]" 1
385 2 32 ASP HB3 2 33 ILE H . . 4.080 3.650 3.458 3.900 . 0 0 "[ . 1 . 2]" 1
386 2 32 ASP HB3 2 35 ARG H . . 5.500 4.990 4.850 5.138 . 0 0 "[ . 1 . 2]" 1
387 2 32 ASP HB3 2 82 VAL MG1 . . 4.640 3.498 3.192 3.739 . 0 0 "[ . 1 . 2]" 1
388 2 32 ASP HB3 2 82 VAL MG2 . . 3.380 2.424 2.128 2.794 . 0 0 "[ . 1 . 2]" 1
389 2 33 ILE H 2 33 ILE HB . . 3.350 2.434 2.295 2.604 . 0 0 "[ . 1 . 2]" 1
390 2 33 ILE H 2 33 ILE HG12 . . 3.550 3.524 3.436 3.573 0.023 4 0 "[ . 1 . 2]" 1
391 2 33 ILE H 2 33 ILE QG . . 2.800 2.360 2.176 2.524 . 0 0 "[ . 1 . 2]" 1
392 2 33 ILE H 2 33 ILE HG13 . . 3.550 2.398 2.199 2.582 . 0 0 "[ . 1 . 2]" 1
393 2 33 ILE H 2 34 ASN H . . 3.550 2.624 2.532 2.763 . 0 0 "[ . 1 . 2]" 1
394 2 33 ILE H 2 34 ASN HA . . 5.500 5.258 5.203 5.365 . 0 0 "[ . 1 . 2]" 1
395 2 33 ILE H 2 34 ASN QB . . 4.720 4.472 4.244 4.757 0.037 7 0 "[ . 1 . 2]" 1
396 2 33 ILE H 2 35 ARG H . . 3.980 3.871 3.761 3.949 . 0 0 "[ . 1 . 2]" 1
397 2 33 ILE H 2 36 LEU HG . . 5.500 4.650 4.329 4.810 . 0 0 "[ . 1 . 2]" 1
398 2 33 ILE H 2 67 PHE HZ . . 5.500 5.406 4.967 5.568 0.068 8 0 "[ . 1 . 2]" 1
399 2 33 ILE H 2 82 VAL MG1 . . 4.110 3.443 3.276 3.598 . 0 0 "[ . 1 . 2]" 1
400 2 33 ILE H 2 86 LEU QD . . 5.160 4.736 4.463 5.168 0.008 19 0 "[ . 1 . 2]" 1
401 2 33 ILE HA 2 33 ILE MD . . 4.220 3.747 3.641 3.849 . 0 0 "[ . 1 . 2]" 1
402 2 33 ILE HA 2 33 ILE QG . . 3.470 2.305 2.188 2.421 . 0 0 "[ . 1 . 2]" 1
403 2 33 ILE HA 2 33 ILE MG . . 3.490 2.560 2.395 2.677 . 0 0 "[ . 1 . 2]" 1
404 2 33 ILE HA 2 35 ARG H . . 4.390 3.985 3.844 4.113 . 0 0 "[ . 1 . 2]" 1
405 2 33 ILE HA 2 36 LEU H . . 4.100 3.335 3.060 3.586 . 0 0 "[ . 1 . 2]" 1
406 2 33 ILE HA 2 36 LEU MD1 . . 4.210 2.724 2.479 2.959 . 0 0 "[ . 1 . 2]" 1
407 2 33 ILE HA 2 36 LEU QD . . 3.290 2.689 2.454 2.905 . 0 0 "[ . 1 . 2]" 1
408 2 33 ILE HA 2 36 LEU MD2 . . 4.210 4.176 3.951 4.269 0.059 13 0 "[ . 1 . 2]" 1
409 2 33 ILE HA 2 36 LEU HG . . 4.220 2.560 2.271 2.713 . 0 0 "[ . 1 . 2]" 1
410 2 33 ILE HA 2 82 VAL MG1 . . 4.160 2.710 2.192 2.995 . 0 0 "[ . 1 . 2]" 1
411 2 33 ILE HB 2 33 ILE MD . . 3.610 2.487 2.405 2.560 . 0 0 "[ . 1 . 2]" 1
412 2 33 ILE HB 2 33 ILE QG . . 2.600 2.317 2.260 2.377 . 0 0 "[ . 1 . 2]" 1
413 2 33 ILE HB 2 34 ASN H . . 3.980 2.816 2.565 3.048 . 0 0 "[ . 1 . 2]" 1
414 2 33 ILE HB 2 82 VAL MG1 . . 4.070 4.099 3.936 4.151 0.081 20 0 "[ . 1 . 2]" 1
415 2 33 ILE HB 2 82 VAL MG2 . . 5.500 5.321 5.047 5.523 0.023 8 0 "[ . 1 . 2]" 1
416 2 33 ILE MD 2 41 LEU HG . . 5.500 5.583 5.501 5.669 0.169 15 0 "[ . 1 . 2]" 1
417 2 33 ILE MD 2 44 VAL HB . . 4.800 4.215 3.668 4.780 . 0 0 "[ . 1 . 2]" 1
418 2 33 ILE MD 2 44 VAL QG . . 4.130 2.268 1.921 2.819 . 0 0 "[ . 1 . 2]" 1
419 2 33 ILE MD 2 65 ILE HB . . 4.740 4.197 3.708 4.714 . 0 0 "[ . 1 . 2]" 1
420 2 33 ILE MD 2 65 ILE MD . . 5.500 2.075 1.836 2.623 . 0 0 "[ . 1 . 2]" 1
421 2 33 ILE MD 2 65 ILE MG . . 4.640 2.931 2.447 3.413 . 0 0 "[ . 1 . 2]" 1
422 2 33 ILE MD 2 67 PHE HE1 . . 4.210 3.550 2.864 4.274 0.064 15 0 "[ . 1 . 2]" 1
423 2 33 ILE MD 2 67 PHE HZ . . 4.260 2.620 2.007 3.212 . 0 0 "[ . 1 . 2]" 1
424 2 33 ILE MD 2 78 LEU HA . . 5.320 4.436 4.047 4.936 . 0 0 "[ . 1 . 2]" 1
425 2 33 ILE MD 2 78 LEU HB2 . . 4.450 3.711 2.847 4.024 . 0 0 "[ . 1 . 2]" 1
426 2 33 ILE MD 2 78 LEU HB3 . . 4.140 2.617 2.121 3.038 . 0 0 "[ . 1 . 2]" 1
427 2 33 ILE MD 2 82 VAL HB . . 5.500 5.300 5.055 5.523 0.023 14 0 "[ . 1 . 2]" 1
428 2 33 ILE MD 2 82 VAL MG1 . . 4.370 3.044 2.776 3.228 . 0 0 "[ . 1 . 2]" 1
429 2 33 ILE QG 2 34 ASN H . . 5.300 4.168 4.029 4.318 . 0 0 "[ . 1 . 2]" 1
430 2 33 ILE QG 2 82 VAL MG1 . . 2.950 1.892 1.802 2.009 . 0 0 "[ . 1 . 2]" 1
431 2 33 ILE HG12 2 82 VAL MG1 . . 3.510 2.020 1.889 2.253 . 0 0 "[ . 1 . 2]" 1
432 2 33 ILE HG13 2 82 VAL MG1 . . 3.510 2.299 2.165 2.459 . 0 0 "[ . 1 . 2]" 1
433 2 33 ILE MG 2 34 ASN HA . . 4.490 3.368 3.155 3.647 . 0 0 "[ . 1 . 2]" 1
434 2 33 ILE MG 2 36 LEU HG . . 5.240 4.374 4.167 4.631 . 0 0 "[ . 1 . 2]" 1
435 2 33 ILE MG 2 41 LEU HG . . 5.500 3.446 2.829 3.955 . 0 0 "[ . 1 . 2]" 1
436 2 33 ILE MG 2 44 VAL HB . . 5.420 4.466 3.235 5.336 . 0 0 "[ . 1 . 2]" 1
437 2 33 ILE MG 2 44 VAL QG . . 4.070 2.728 2.055 3.562 . 0 0 "[ . 1 . 2]" 1
438 2 33 ILE MG 2 65 ILE HB . . 5.500 5.095 4.655 5.510 0.010 12 0 "[ . 1 . 2]" 1
439 2 33 ILE MG 2 65 ILE MD . . 4.760 2.409 2.085 2.657 . 0 0 "[ . 1 . 2]" 1
440 2 33 ILE MG 2 78 LEU HB3 . . 5.500 5.335 4.441 5.550 0.050 12 0 "[ . 1 . 2]" 1
441 2 33 ILE MG 2 82 VAL MG1 . . 4.630 3.633 3.204 3.979 . 0 0 "[ . 1 . 2]" 1
442 2 34 ASN H 2 34 ASN QB . . 3.170 2.305 2.221 2.426 . 0 0 "[ . 1 . 2]" 1
443 2 34 ASN H 2 35 ARG H . . 2.850 2.451 2.377 2.553 . 0 0 "[ . 1 . 2]" 1
444 2 34 ASN H 2 35 ARG HA . . 5.500 5.123 5.014 5.206 . 0 0 "[ . 1 . 2]" 1
445 2 34 ASN H 2 35 ARG QD . . 5.340 5.338 5.215 5.373 0.033 1 0 "[ . 1 . 2]" 1
446 2 34 ASN HA 2 36 LEU H . . 4.310 3.777 3.515 4.145 . 0 0 "[ . 1 . 2]" 1
447 2 34 ASN QB 2 35 ARG H . . 3.700 2.907 2.650 3.200 . 0 0 "[ . 1 . 2]" 1
448 2 34 ASN QB 2 35 ARG HA . . 4.680 4.257 3.978 4.424 . 0 0 "[ . 1 . 2]" 1
449 2 34 ASN QB 2 35 ARG QG . . 4.300 3.581 3.178 4.043 . 0 0 "[ . 1 . 2]" 1
450 2 34 ASN QB 2 36 LEU H . . 5.130 4.675 4.576 4.825 . 0 0 "[ . 1 . 2]" 1
451 2 35 ARG H 2 35 ARG HB2 . . 2.660 2.376 2.274 2.449 . 0 0 "[ . 1 . 2]" 1
452 2 35 ARG H 2 35 ARG HB3 . . 3.670 3.595 3.549 3.638 . 0 0 "[ . 1 . 2]" 1
453 2 35 ARG H 2 35 ARG QD . . 4.240 3.806 3.722 3.877 . 0 0 "[ . 1 . 2]" 1
454 2 35 ARG H 2 35 ARG QG . . 3.740 2.489 2.305 2.685 . 0 0 "[ . 1 . 2]" 1
455 2 35 ARG H 2 36 LEU HG . . 4.430 4.180 3.906 4.356 . 0 0 "[ . 1 . 2]" 1
456 2 35 ARG HA 2 35 ARG HD2 . . 5.210 4.687 4.586 4.867 . 0 0 "[ . 1 . 2]" 1
457 2 35 ARG HA 2 35 ARG QD . . 4.500 4.057 4.002 4.241 . 0 0 "[ . 1 . 2]" 1
458 2 35 ARG HA 2 35 ARG HD3 . . 5.210 4.444 4.347 4.675 . 0 0 "[ . 1 . 2]" 1
459 2 35 ARG HB2 2 36 LEU QD . . 4.790 3.535 3.397 3.688 . 0 0 "[ . 1 . 2]" 1
460 2 35 ARG HB2 2 86 LEU MD1 . . 5.090 2.830 2.041 4.511 . 0 0 "[ . 1 . 2]" 1
461 2 35 ARG HB2 2 86 LEU QD . . 3.550 2.303 2.035 2.869 . 0 0 "[ . 1 . 2]" 1
462 2 35 ARG HB2 2 86 LEU MD2 . . 5.090 2.688 2.284 3.998 . 0 0 "[ . 1 . 2]" 1
463 2 35 ARG HB3 2 35 ARG QD . . 3.000 2.482 2.329 3.005 0.005 7 0 "[ . 1 . 2]" 1
464 2 35 ARG HB3 2 36 LEU QD . . 3.740 3.757 3.651 3.822 0.082 10 0 "[ . 1 . 2]" 1
465 2 35 ARG HB3 2 86 LEU QD . . 2.870 2.320 2.010 2.901 0.031 17 0 "[ . 1 . 2]" 1
466 2 35 ARG QD 2 36 LEU H . . 5.210 5.103 4.840 5.233 0.023 9 0 "[ . 1 . 2]" 1
467 2 35 ARG QD 2 86 LEU QD . . 3.500 2.233 1.837 2.948 . 0 0 "[ . 1 . 2]" 1
468 2 35 ARG HD2 2 86 LEU MD1 . . 5.750 2.969 2.088 3.965 . 0 0 "[ . 1 . 2]" 1
469 2 35 ARG HD2 2 86 LEU MD2 . . 5.750 3.513 2.554 4.573 . 0 0 "[ . 1 . 2]" 1
470 2 35 ARG HD3 2 86 LEU MD1 . . 5.750 2.741 1.932 4.023 . 0 0 "[ . 1 . 2]" 1
471 2 35 ARG HD3 2 86 LEU MD2 . . 5.750 3.137 2.116 3.949 . 0 0 "[ . 1 . 2]" 1
472 2 36 LEU H 2 36 LEU HB2 . . 3.160 2.490 2.429 2.540 . 0 0 "[ . 1 . 2]" 1
473 2 36 LEU H 2 36 LEU HB3 . . 3.670 3.620 3.596 3.644 . 0 0 "[ . 1 . 2]" 1
474 2 36 LEU H 2 36 LEU MD1 . . 4.040 3.875 3.731 3.993 . 0 0 "[ . 1 . 2]" 1
475 2 36 LEU H 2 36 LEU QD . . 3.080 3.077 2.961 3.125 0.045 20 0 "[ . 1 . 2]" 1
476 2 36 LEU H 2 36 LEU MD2 . . 4.040 3.230 3.106 3.293 . 0 0 "[ . 1 . 2]" 1
477 2 36 LEU H 2 36 LEU HG . . 2.850 2.548 2.302 2.693 . 0 0 "[ . 1 . 2]" 1
478 2 36 LEU H 2 37 PRO HD2 . . 4.900 4.892 4.809 4.934 0.034 4 0 "[ . 1 . 2]" 1
479 2 36 LEU H 2 37 PRO HD3 . . 5.170 4.890 4.784 5.007 . 0 0 "[ . 1 . 2]" 1
480 2 36 LEU H 2 82 VAL HB . . 5.490 5.444 5.181 5.550 0.060 18 0 "[ . 1 . 2]" 1
481 2 36 LEU H 2 82 VAL MG1 . . 5.180 5.044 4.820 5.186 0.006 16 0 "[ . 1 . 2]" 1
482 2 36 LEU HA 2 36 LEU MD1 . . 4.120 3.795 3.728 3.872 . 0 0 "[ . 1 . 2]" 1
483 2 36 LEU HA 2 36 LEU QD . . 3.520 2.069 1.978 2.159 . 0 0 "[ . 1 . 2]" 1
484 2 36 LEU HA 2 36 LEU MD2 . . 4.120 2.078 1.985 2.170 . 0 0 "[ . 1 . 2]" 1
485 2 36 LEU HA 2 36 LEU HG . . 3.670 3.294 3.190 3.371 . 0 0 "[ . 1 . 2]" 1
486 2 36 LEU HA 2 37 PRO HD3 . . 3.910 2.277 2.152 2.385 . 0 0 "[ . 1 . 2]" 1
487 2 36 LEU HA 2 41 LEU QD . . 5.440 4.714 3.808 5.260 . 0 0 "[ . 1 . 2]" 1
488 2 36 LEU HB2 2 36 LEU HG . . 2.810 2.373 2.327 2.406 . 0 0 "[ . 1 . 2]" 1
489 2 36 LEU HB2 2 37 PRO HD2 . . 4.730 3.985 3.805 4.221 . 0 0 "[ . 1 . 2]" 1
490 2 36 LEU HB2 2 41 LEU QD . . 5.440 2.848 1.951 3.596 . 0 0 "[ . 1 . 2]" 1
491 2 36 LEU HB3 2 40 LYS H . . 5.230 4.281 3.897 4.700 . 0 0 "[ . 1 . 2]" 1
492 2 36 LEU HB3 2 41 LEU H . . 5.500 3.940 3.408 5.103 . 0 0 "[ . 1 . 2]" 1
493 2 36 LEU QD 2 37 PRO HD2 . . 4.030 2.808 2.562 3.067 . 0 0 "[ . 1 . 2]" 1
494 2 36 LEU QD 2 37 PRO HD3 . . 5.100 3.496 3.272 3.733 . 0 0 "[ . 1 . 2]" 1
495 2 36 LEU QD 2 40 LYS HA . . 5.440 4.452 3.948 5.413 . 0 0 "[ . 1 . 2]" 1
496 2 36 LEU QD 2 41 LEU HA . . 5.440 3.371 2.592 3.888 . 0 0 "[ . 1 . 2]" 1
497 2 36 LEU QD 2 81 TYR HE1 . . 5.440 2.391 2.021 3.121 . 0 0 "[ . 1 . 2]" 1
498 2 36 LEU QD 2 82 VAL HA . . 3.470 2.039 1.885 2.219 . 0 0 "[ . 1 . 2]" 1
499 2 36 LEU QD 2 82 VAL MG1 . . 4.060 1.879 1.820 1.992 . 0 0 "[ . 1 . 2]" 1
500 2 36 LEU QD 2 85 CYS H . . 3.860 3.848 3.732 3.921 0.061 14 0 "[ . 1 . 2]" 1
501 2 36 LEU QD 2 85 CYS HA . . 4.470 4.269 3.881 4.440 . 0 0 "[ . 1 . 2]" 1
502 2 36 LEU QD 2 85 CYS HB2 . . 3.780 3.038 2.007 3.523 . 0 0 "[ . 1 . 2]" 1
503 2 36 LEU QD 2 85 CYS HB3 . . 3.840 2.180 2.040 2.363 . 0 0 "[ . 1 . 2]" 1
504 2 36 LEU QD 2 86 LEU HG . . 5.440 2.889 1.934 4.468 . 0 0 "[ . 1 . 2]" 1
505 2 36 LEU MD1 2 37 PRO HD2 . . 5.480 4.033 3.747 4.413 . 0 0 "[ . 1 . 2]" 1
506 2 36 LEU MD1 2 82 VAL HA . . 4.060 2.100 1.901 2.372 . 0 0 "[ . 1 . 2]" 1
507 2 36 LEU MD1 2 82 VAL MG1 . . 4.640 1.886 1.826 2.001 . 0 0 "[ . 1 . 2]" 1
508 2 36 LEU MD2 2 37 PRO HD2 . . 5.480 2.868 2.608 3.137 . 0 0 "[ . 1 . 2]" 1
509 2 36 LEU MD2 2 82 VAL HA . . 4.060 2.882 2.502 3.123 . 0 0 "[ . 1 . 2]" 1
510 2 36 LEU MD2 2 82 VAL MG1 . . 4.640 3.571 3.262 3.844 . 0 0 "[ . 1 . 2]" 1
511 2 36 LEU HG 2 82 VAL MG1 . . 5.200 3.190 2.952 3.478 . 0 0 "[ . 1 . 2]" 1
512 2 37 PRO HA 2 39 GLU H . . 5.500 4.415 4.081 4.674 . 0 0 "[ . 1 . 2]" 1
513 2 37 PRO QB 2 38 GLY H . . 3.890 2.697 2.494 3.068 . 0 0 "[ . 1 . 2]" 1
514 2 37 PRO QB 2 39 GLU H . . 4.970 2.816 2.524 3.158 . 0 0 "[ . 1 . 2]" 1
515 2 37 PRO HB2 2 38 GLY H . . 4.430 2.788 2.558 3.221 . 0 0 "[ . 1 . 2]" 1
516 2 37 PRO HB3 2 38 GLY H . . 4.430 3.610 3.459 3.858 . 0 0 "[ . 1 . 2]" 1
517 2 37 PRO HD2 2 38 GLY H . . 5.500 5.478 5.419 5.541 0.041 11 0 "[ . 1 . 2]" 1
518 2 37 PRO HD2 2 40 LYS H . . 4.800 3.952 3.602 4.446 . 0 0 "[ . 1 . 2]" 1
519 2 37 PRO HG2 2 40 LYS H . . 3.070 2.896 2.689 3.116 0.046 5 0 "[ . 1 . 2]" 1
520 2 38 GLY H 2 39 GLU QB . . 5.340 4.827 4.276 5.289 . 0 0 "[ . 1 . 2]" 1
521 2 38 GLY H 2 40 LYS H . . 5.500 4.428 4.308 4.649 . 0 0 "[ . 1 . 2]" 1
522 2 38 GLY H 2 41 LEU H . . 5.500 4.775 4.566 5.259 . 0 0 "[ . 1 . 2]" 1
523 2 38 GLY H 2 41 LEU HB2 . . 5.500 4.588 3.881 5.430 . 0 0 "[ . 1 . 2]" 1
524 2 38 GLY H 2 41 LEU QD . . 4.530 3.600 3.167 4.107 . 0 0 "[ . 1 . 2]" 1
525 2 38 GLY H 2 41 LEU HG . . 5.500 5.400 4.956 5.547 0.047 20 0 "[ . 1 . 2]" 1
526 2 38 GLY HA2 2 40 LYS H . . 4.400 4.152 3.961 4.387 . 0 0 "[ . 1 . 2]" 1
527 2 38 GLY HA2 2 41 LEU H . . 5.500 3.224 3.066 3.430 . 0 0 "[ . 1 . 2]" 1
528 2 38 GLY HA2 2 41 LEU QD . . 4.100 2.222 1.901 2.915 . 0 0 "[ . 1 . 2]" 1
529 2 38 GLY HA2 2 41 LEU HG . . 3.800 3.608 2.965 3.922 0.122 14 0 "[ . 1 . 2]" 1
530 2 38 GLY HA3 2 40 LYS H . . 4.690 4.653 4.530 4.745 0.055 14 0 "[ . 1 . 2]" 1
531 2 38 GLY HA3 2 41 LEU H . . 4.400 4.429 4.333 4.481 0.081 7 0 "[ . 1 . 2]" 1
532 2 38 GLY HA3 2 41 LEU QD . . 4.280 3.578 3.219 4.292 0.012 9 0 "[ . 1 . 2]" 1
533 2 39 GLU H 2 39 GLU HG2 . . 5.300 3.504 2.000 4.589 . 0 0 "[ . 1 . 2]" 1
534 2 39 GLU H 2 39 GLU QG . . 4.540 3.091 1.865 4.043 . 0 0 "[ . 1 . 2]" 1
535 2 39 GLU H 2 39 GLU HG3 . . 5.300 3.725 1.882 4.507 . 0 0 "[ . 1 . 2]" 1
536 2 39 GLU H 2 40 LYS H . . 4.470 2.715 2.593 2.844 . 0 0 "[ . 1 . 2]" 1
537 2 39 GLU HA 2 39 GLU QG . . 3.640 2.932 2.418 3.546 . 0 0 "[ . 1 . 2]" 1
538 2 39 GLU QB 2 39 GLU QG . . 2.360 2.061 1.980 2.086 . 0 0 "[ . 1 . 2]" 1
539 2 39 GLU QB 2 40 LYS H . . 3.450 2.990 2.240 3.564 0.114 20 0 "[ . 1 . 2]" 1
540 2 39 GLU QB 2 41 LEU H . . 5.340 4.680 4.203 5.029 . 0 0 "[ . 1 . 2]" 1
541 2 39 GLU QG 2 40 LYS H . . 4.040 3.107 2.103 3.813 . 0 0 "[ . 1 . 2]" 1
542 2 39 GLU QG 2 40 LYS QG . . 3.970 3.018 1.932 4.040 0.070 2 0 "[ . 1 . 2]" 1
543 2 39 GLU HG2 2 40 LYS H . . 4.850 3.642 2.812 4.823 . 0 0 "[ . 1 . 2]" 1
544 2 39 GLU HG3 2 40 LYS H . . 4.850 3.667 2.148 4.881 0.031 1 0 "[ . 1 . 2]" 1
545 2 40 LYS H 2 40 LYS HB2 . . 3.850 2.503 2.330 2.632 . 0 0 "[ . 1 . 2]" 1
546 2 40 LYS H 2 40 LYS QB . . 3.110 2.462 2.302 2.574 . 0 0 "[ . 1 . 2]" 1
547 2 40 LYS H 2 40 LYS HB3 . . 3.850 3.651 3.592 3.726 . 0 0 "[ . 1 . 2]" 1
548 2 40 LYS H 2 40 LYS QE . . 5.070 4.416 3.346 5.134 0.064 18 0 "[ . 1 . 2]" 1
549 2 40 LYS H 2 40 LYS QG . . 3.450 2.545 2.130 3.467 0.017 14 0 "[ . 1 . 2]" 1
550 2 40 LYS H 2 41 LEU H . . 2.400 2.250 2.044 2.418 0.018 7 0 "[ . 1 . 2]" 1
551 2 40 LYS H 2 41 LEU QD . . 4.920 4.300 3.230 4.890 . 0 0 "[ . 1 . 2]" 1
552 2 40 LYS H 2 42 GLY H . . 4.200 3.940 3.730 4.225 0.025 13 0 "[ . 1 . 2]" 1
553 2 40 LYS HA 2 40 LYS QD . . 3.710 2.402 1.893 3.825 0.115 1 0 "[ . 1 . 2]" 1
554 2 40 LYS HA 2 40 LYS QG . . 3.560 2.865 2.185 3.123 . 0 0 "[ . 1 . 2]" 1
555 2 40 LYS QB 2 40 LYS QG . . 2.370 2.013 1.990 2.093 . 0 0 "[ . 1 . 2]" 1
556 2 40 LYS QB 2 41 LEU H . . 3.520 2.951 2.713 3.567 0.047 13 0 "[ . 1 . 2]" 1
557 2 41 LEU H 2 41 LEU HB2 . . 2.400 2.103 1.813 2.347 . 0 0 "[ . 1 . 2]" 1
558 2 41 LEU H 2 41 LEU HB3 . . 3.630 3.354 2.680 3.578 . 0 0 "[ . 1 . 2]" 1
559 2 41 LEU H 2 41 LEU QD . . 3.390 3.072 2.229 3.525 0.135 19 0 "[ . 1 . 2]" 1
560 2 41 LEU H 2 41 LEU HG . . 3.880 3.400 2.712 4.002 0.122 6 0 "[ . 1 . 2]" 1
561 2 41 LEU H 2 42 GLY H . . 3.170 2.607 2.401 2.734 . 0 0 "[ . 1 . 2]" 1
562 2 41 LEU H 2 42 GLY HA3 . . 5.380 4.877 4.635 5.032 . 0 0 "[ . 1 . 2]" 1
563 2 41 LEU H 2 44 VAL QG . . 4.660 4.355 4.135 4.708 0.048 11 0 "[ . 1 . 2]" 1
564 2 41 LEU HA 2 41 LEU QD . . 3.560 2.125 1.881 2.434 . 0 0 "[ . 1 . 2]" 1
565 2 41 LEU HA 2 43 ARG H . . 4.340 3.997 3.714 4.175 . 0 0 "[ . 1 . 2]" 1
566 2 41 LEU HA 2 44 VAL H . . 4.340 3.252 2.862 3.674 . 0 0 "[ . 1 . 2]" 1
567 2 41 LEU HA 2 44 VAL HB . . 4.320 3.617 2.904 4.320 . 0 0 "[ . 1 . 2]" 1
568 2 41 LEU HA 2 44 VAL QG . . 3.810 2.079 1.840 2.455 . 0 0 "[ . 1 . 2]" 1
569 2 41 LEU HA 2 45 VAL H . . 4.640 4.183 3.977 4.663 0.023 19 0 "[ . 1 . 2]" 1
570 2 41 LEU HB2 2 42 GLY H . . 4.510 3.137 2.794 3.369 . 0 0 "[ . 1 . 2]" 1
571 2 41 LEU HB2 2 43 ARG H . . 5.500 5.407 5.106 5.578 0.078 11 0 "[ . 1 . 2]" 1
572 2 41 LEU HB3 2 42 GLY H . . 4.340 3.408 2.470 3.940 . 0 0 "[ . 1 . 2]" 1
573 2 41 LEU HB3 2 63 ILE MD . . 5.500 4.015 2.859 5.522 0.022 14 0 "[ . 1 . 2]" 1
574 2 41 LEU QD 2 44 VAL HB . . 4.180 3.462 2.202 4.233 0.053 2 0 "[ . 1 . 2]" 1
575 2 41 LEU QD 2 45 VAL H . . 4.230 4.037 3.334 4.289 0.059 4 0 "[ . 1 . 2]" 1
576 2 41 LEU QD 2 63 ILE HB . . 5.440 4.081 3.160 5.164 . 0 0 "[ . 1 . 2]" 1
577 2 41 LEU QD 2 65 ILE QG . . 5.280 4.618 3.763 5.284 0.004 1 0 "[ . 1 . 2]" 1
578 2 41 LEU HG 2 42 GLY H . . 5.500 5.059 4.738 5.527 0.027 7 0 "[ . 1 . 2]" 1
579 2 41 LEU HG 2 44 VAL QG . . 5.440 3.835 3.269 4.594 . 0 0 "[ . 1 . 2]" 1
580 2 41 LEU HG 2 45 VAL QG . . 5.440 4.897 3.952 5.512 0.072 4 0 "[ . 1 . 2]" 1
581 2 42 GLY H 2 43 ARG H . . 4.370 2.859 2.786 2.924 . 0 0 "[ . 1 . 2]" 1
582 2 42 GLY H 2 43 ARG HB2 . . 5.500 5.459 5.162 5.555 0.055 20 0 "[ . 1 . 2]" 1
583 2 42 GLY H 2 44 VAL H . . 4.960 4.317 4.161 4.497 . 0 0 "[ . 1 . 2]" 1
584 2 42 GLY H 2 44 VAL QG . . 5.010 4.411 4.258 4.616 . 0 0 "[ . 1 . 2]" 1
585 2 42 GLY H 2 45 VAL H . . 5.130 4.840 4.651 5.003 . 0 0 "[ . 1 . 2]" 1
586 2 42 GLY HA2 2 43 ARG H . . 3.560 3.528 3.489 3.561 0.001 3 0 "[ . 1 . 2]" 1
587 2 42 GLY HA2 2 45 VAL H . . 5.500 3.692 3.329 3.939 . 0 0 "[ . 1 . 2]" 1
588 2 42 GLY HA2 2 45 VAL HB . . 4.400 3.197 2.798 3.751 . 0 0 "[ . 1 . 2]" 1
589 2 42 GLY HA2 2 45 VAL MG1 . . 4.750 4.219 3.855 4.650 . 0 0 "[ . 1 . 2]" 1
590 2 42 GLY HA2 2 45 VAL QG . . 4.030 2.478 2.007 2.942 . 0 0 "[ . 1 . 2]" 1
591 2 42 GLY HA2 2 45 VAL MG2 . . 4.750 2.499 2.014 2.994 . 0 0 "[ . 1 . 2]" 1
592 2 42 GLY HA2 2 46 HIS H . . 5.260 4.622 4.302 5.066 . 0 0 "[ . 1 . 2]" 1
593 2 42 GLY HA2 2 63 ILE MD . . 5.500 5.225 4.391 5.513 0.013 15 0 "[ . 1 . 2]" 1
594 2 42 GLY HA3 2 44 VAL H . . 5.500 4.808 4.670 4.944 . 0 0 "[ . 1 . 2]" 1
595 2 42 GLY HA3 2 45 VAL H . . 5.130 4.823 4.529 5.011 . 0 0 "[ . 1 . 2]" 1
596 2 42 GLY HA3 2 45 VAL HB . . 5.490 4.650 4.094 5.191 . 0 0 "[ . 1 . 2]" 1
597 2 42 GLY HA3 2 45 VAL QG . . 5.440 3.846 3.415 4.260 . 0 0 "[ . 1 . 2]" 1
598 2 43 ARG H 2 43 ARG HB2 . . 3.440 2.773 2.526 2.921 . 0 0 "[ . 1 . 2]" 1
599 2 43 ARG H 2 43 ARG HB3 . . 3.300 2.420 2.266 2.580 . 0 0 "[ . 1 . 2]" 1
600 2 43 ARG H 2 43 ARG HD3 . . 5.150 4.846 4.490 5.060 . 0 0 "[ . 1 . 2]" 1
601 2 43 ARG H 2 43 ARG HG3 . . 4.510 4.358 4.260 4.493 . 0 0 "[ . 1 . 2]" 1
602 2 43 ARG H 2 44 VAL H . . 3.870 2.515 2.416 2.644 . 0 0 "[ . 1 . 2]" 1
603 2 43 ARG H 2 44 VAL QG . . 3.970 3.797 3.458 3.986 0.016 15 0 "[ . 1 . 2]" 1
604 2 43 ARG H 2 45 VAL H . . 4.390 3.973 3.844 4.099 . 0 0 "[ . 1 . 2]" 1
605 2 43 ARG H 2 47 ILE MD . . 5.500 5.560 5.521 5.610 0.110 19 0 "[ . 1 . 2]" 1
606 2 43 ARG H 2 81 TYR HE1 . . 5.500 4.484 3.848 4.968 . 0 0 "[ . 1 . 2]" 1
607 2 43 ARG HA 2 43 ARG HD2 . . 3.970 2.197 1.986 2.603 . 0 0 "[ . 1 . 2]" 1
608 2 43 ARG HA 2 43 ARG HD3 . . 3.090 2.802 2.543 3.012 . 0 0 "[ . 1 . 2]" 1
609 2 43 ARG HA 2 43 ARG HG3 . . 3.530 3.302 3.168 3.431 . 0 0 "[ . 1 . 2]" 1
610 2 43 ARG HA 2 46 HIS H . . 3.850 3.310 3.158 3.495 . 0 0 "[ . 1 . 2]" 1
611 2 43 ARG HA 2 46 HIS QB . . 3.530 2.837 2.537 3.163 . 0 0 "[ . 1 . 2]" 1
612 2 43 ARG HB2 2 43 ARG HD2 . . 3.590 3.105 2.930 3.337 . 0 0 "[ . 1 . 2]" 1
613 2 43 ARG HB2 2 43 ARG HD3 . . 2.440 2.446 2.371 2.484 0.044 20 0 "[ . 1 . 2]" 1
614 2 43 ARG HB2 2 44 VAL H . . 4.350 4.050 3.887 4.134 . 0 0 "[ . 1 . 2]" 1
615 2 43 ARG HB3 2 43 ARG HD2 . . 4.020 3.674 3.594 3.821 . 0 0 "[ . 1 . 2]" 1
616 2 43 ARG HB3 2 43 ARG HD3 . . 3.560 3.636 3.578 3.662 0.102 20 0 "[ . 1 . 2]" 1
617 2 43 ARG HB3 2 44 VAL H . . 4.310 2.816 2.619 2.970 . 0 0 "[ . 1 . 2]" 1
618 2 43 ARG HD2 2 43 ARG HG3 . . 2.900 2.398 2.278 2.454 . 0 0 "[ . 1 . 2]" 1
619 2 43 ARG HD2 2 47 ILE MD . . 5.380 3.861 3.306 4.443 . 0 0 "[ . 1 . 2]" 1
620 2 43 ARG HD3 2 46 HIS H . . 5.500 5.564 5.529 5.593 0.093 9 0 "[ . 1 . 2]" 1
621 2 43 ARG HG2 2 47 ILE MD . . 4.500 3.619 3.252 4.012 . 0 0 "[ . 1 . 2]" 1
622 2 43 ARG HG3 2 44 VAL H . . 4.080 3.660 3.398 4.050 . 0 0 "[ . 1 . 2]" 1
623 2 43 ARG HG3 2 47 ILE H . . 5.040 4.566 4.320 4.845 . 0 0 "[ . 1 . 2]" 1
624 2 43 ARG HG3 2 47 ILE MD . . 4.390 2.390 2.061 2.774 . 0 0 "[ . 1 . 2]" 1
625 2 43 ARG HG3 2 81 TYR HE1 . . 5.330 4.745 4.047 5.381 0.051 4 0 "[ . 1 . 2]" 1
626 2 44 VAL H 2 44 VAL HB . . 3.580 2.685 2.549 2.873 . 0 0 "[ . 1 . 2]" 1
627 2 44 VAL H 2 44 VAL MG1 . . 4.030 2.857 2.153 3.794 . 0 0 "[ . 1 . 2]" 1
628 2 44 VAL H 2 44 VAL QG . . 3.260 2.092 1.848 2.331 . 0 0 "[ . 1 . 2]" 1
629 2 44 VAL H 2 44 VAL MG2 . . 4.030 3.053 1.853 3.847 . 0 0 "[ . 1 . 2]" 1
630 2 44 VAL H 2 45 VAL H . . 2.810 2.575 2.461 2.694 . 0 0 "[ . 1 . 2]" 1
631 2 44 VAL H 2 45 VAL HB . . 5.240 4.971 4.708 5.203 . 0 0 "[ . 1 . 2]" 1
632 2 44 VAL H 2 45 VAL QG . . 4.390 3.769 3.453 4.005 . 0 0 "[ . 1 . 2]" 1
633 2 44 VAL H 2 46 HIS H . . 4.640 4.131 4.009 4.281 . 0 0 "[ . 1 . 2]" 1
634 2 44 VAL H 2 47 ILE H . . 5.500 4.687 4.546 4.866 . 0 0 "[ . 1 . 2]" 1
635 2 44 VAL H 2 47 ILE HB . . 5.450 5.278 4.954 5.475 0.025 10 0 "[ . 1 . 2]" 1
636 2 44 VAL H 2 47 ILE MD . . 4.970 3.963 3.853 4.045 . 0 0 "[ . 1 . 2]" 1
637 2 44 VAL H 2 81 TYR HE1 . . 4.330 3.696 2.885 4.270 . 0 0 "[ . 1 . 2]" 1
638 2 44 VAL HA 2 44 VAL MG1 . . 3.670 2.869 2.305 3.250 . 0 0 "[ . 1 . 2]" 1
639 2 44 VAL HA 2 44 VAL QG . . 3.070 2.244 2.151 2.326 . 0 0 "[ . 1 . 2]" 1
640 2 44 VAL HA 2 44 VAL MG2 . . 3.670 2.443 2.324 2.625 . 0 0 "[ . 1 . 2]" 1
641 2 44 VAL HA 2 46 HIS H . . 4.750 4.105 3.936 4.344 . 0 0 "[ . 1 . 2]" 1
642 2 44 VAL HA 2 47 ILE H . . 3.300 3.035 2.904 3.192 . 0 0 "[ . 1 . 2]" 1
643 2 44 VAL HA 2 47 ILE HB . . 3.780 2.556 2.287 2.749 . 0 0 "[ . 1 . 2]" 1
644 2 44 VAL HA 2 47 ILE MD . . 3.860 1.916 1.802 1.978 . 0 0 "[ . 1 . 2]" 1
645 2 44 VAL HA 2 47 ILE HG13 . . 2.810 2.378 2.180 2.702 . 0 0 "[ . 1 . 2]" 1
646 2 44 VAL HA 2 78 LEU HA . . 4.700 4.176 3.829 4.627 . 0 0 "[ . 1 . 2]" 1
647 2 44 VAL HA 2 78 LEU MD2 . . 4.010 3.553 3.223 3.790 . 0 0 "[ . 1 . 2]" 1
648 2 44 VAL HB 2 45 VAL H . . 4.270 3.539 2.636 4.113 . 0 0 "[ . 1 . 2]" 1
649 2 44 VAL HB 2 47 ILE MG . . 5.500 5.507 5.315 5.650 0.150 13 0 "[ . 1 . 2]" 1
650 2 44 VAL HB 2 48 ILE MD . . 5.050 4.527 3.679 5.155 0.105 2 0 "[ . 1 . 2]" 1
651 2 44 VAL HB 2 63 ILE MD . . 4.550 3.834 2.656 4.595 0.045 8 0 "[ . 1 . 2]" 1
652 2 44 VAL HB 2 78 LEU HA . . 5.280 4.766 4.119 5.380 0.100 9 0 "[ . 1 . 2]" 1
653 2 44 VAL HB 2 78 LEU MD2 . . 4.440 4.255 4.069 4.453 0.013 12 0 "[ . 1 . 2]" 1
654 2 44 VAL QG 2 45 VAL H . . 4.300 2.762 2.373 3.314 . 0 0 "[ . 1 . 2]" 1
655 2 44 VAL QG 2 46 HIS H . . 5.310 4.441 4.210 4.727 . 0 0 "[ . 1 . 2]" 1
656 2 44 VAL QG 2 47 ILE H . . 5.110 4.063 3.907 4.232 . 0 0 "[ . 1 . 2]" 1
657 2 44 VAL QG 2 47 ILE HB . . 3.340 2.935 2.781 3.054 . 0 0 "[ . 1 . 2]" 1
658 2 44 VAL QG 2 47 ILE MD . . 3.510 2.312 2.106 2.620 . 0 0 "[ . 1 . 2]" 1
659 2 44 VAL QG 2 48 ILE MD . . 3.200 2.441 2.208 2.599 . 0 0 "[ . 1 . 2]" 1
660 2 44 VAL QG 2 78 LEU HA . . 4.590 2.386 2.138 2.650 . 0 0 "[ . 1 . 2]" 1
661 2 44 VAL QG 2 78 LEU HB3 . . 3.530 2.527 2.255 2.819 . 0 0 "[ . 1 . 2]" 1
662 2 44 VAL QG 2 78 LEU MD2 . . 3.070 1.959 1.817 2.092 . 0 0 "[ . 1 . 2]" 1
663 2 44 VAL QG 2 81 TYR HD1 . . 3.870 2.738 1.944 3.394 . 0 0 "[ . 1 . 2]" 1
664 2 44 VAL QG 2 81 TYR HE1 . . 3.830 3.098 2.359 3.793 . 0 0 "[ . 1 . 2]" 1
665 2 44 VAL MG1 2 47 ILE MD . . 4.750 3.490 2.217 4.279 . 0 0 "[ . 1 . 2]" 1
666 2 44 VAL MG1 2 48 ILE MD . . 4.700 3.059 2.270 3.728 . 0 0 "[ . 1 . 2]" 1
667 2 44 VAL MG1 2 81 TYR HD1 . . 5.130 3.872 3.314 4.288 . 0 0 "[ . 1 . 2]" 1
668 2 44 VAL MG1 2 81 TYR HE1 . . 4.820 4.140 2.776 4.895 0.075 9 0 "[ . 1 . 2]" 1
669 2 44 VAL MG2 2 47 ILE MD . . 4.750 2.501 2.114 2.974 . 0 0 "[ . 1 . 2]" 1
670 2 44 VAL MG2 2 48 ILE MD . . 4.700 3.362 2.241 4.785 0.085 4 0 "[ . 1 . 2]" 1
671 2 44 VAL MG2 2 81 TYR HD1 . . 5.130 2.860 1.949 3.657 . 0 0 "[ . 1 . 2]" 1
672 2 44 VAL MG2 2 81 TYR HE1 . . 4.820 3.738 2.365 4.843 0.023 10 0 "[ . 1 . 2]" 1
673 2 45 VAL H 2 45 VAL HB . . 3.690 2.753 2.614 2.868 . 0 0 "[ . 1 . 2]" 1
674 2 45 VAL H 2 45 VAL QG . . 2.900 1.961 1.824 2.076 . 0 0 "[ . 1 . 2]" 1
675 2 45 VAL H 2 46 HIS H . . 3.760 2.757 2.628 2.894 . 0 0 "[ . 1 . 2]" 1
676 2 45 VAL H 2 46 HIS HA . . 5.500 5.341 5.265 5.421 . 0 0 "[ . 1 . 2]" 1
677 2 45 VAL H 2 46 HIS QB . . 5.090 4.589 4.265 4.829 . 0 0 "[ . 1 . 2]" 1
678 2 45 VAL H 2 47 ILE HB . . 5.500 5.074 4.743 5.297 . 0 0 "[ . 1 . 2]" 1
679 2 45 VAL HA 2 45 VAL QG . . 3.010 2.167 2.103 2.190 . 0 0 "[ . 1 . 2]" 1
680 2 45 VAL HA 2 48 ILE H . . 4.110 3.633 3.417 3.939 . 0 0 "[ . 1 . 2]" 1
681 2 45 VAL HA 2 48 ILE MD . . 3.780 2.606 2.041 3.051 . 0 0 "[ . 1 . 2]" 1
682 2 45 VAL HA 2 48 ILE MG . . 5.270 4.678 4.334 5.247 . 0 0 "[ . 1 . 2]" 1
683 2 45 VAL HA 2 63 ILE MD . . 4.900 2.144 1.785 2.832 . 0 0 "[ . 1 . 2]" 1
684 2 45 VAL HA 2 65 ILE MD . . 5.100 5.002 4.742 5.154 0.054 9 0 "[ . 1 . 2]" 1
685 2 45 VAL HB 2 46 HIS H . . 3.540 2.621 2.404 2.775 . 0 0 "[ . 1 . 2]" 1
686 2 45 VAL HB 2 47 ILE H . . 5.230 4.855 4.751 4.989 . 0 0 "[ . 1 . 2]" 1
687 2 45 VAL HB 2 63 ILE MD . . 5.500 4.026 3.757 4.494 . 0 0 "[ . 1 . 2]" 1
688 2 45 VAL QG 2 46 HIS H . . 3.490 3.274 3.168 3.340 . 0 0 "[ . 1 . 2]" 1
689 2 45 VAL QG 2 60 PRO HA . . 4.560 2.816 2.075 3.718 . 0 0 "[ . 1 . 2]" 1
690 2 45 VAL QG 2 61 ASP H . . 5.440 4.806 4.356 5.456 0.016 12 0 "[ . 1 . 2]" 1
691 2 45 VAL QG 2 61 ASP HA . . 5.440 4.590 3.911 5.257 . 0 0 "[ . 1 . 2]" 1
692 2 45 VAL QG 2 65 ILE MD . . 5.440 4.392 4.196 4.523 . 0 0 "[ . 1 . 2]" 1
693 2 45 VAL MG1 2 46 HIS H . . 4.040 3.651 3.460 3.925 . 0 0 "[ . 1 . 2]" 1
694 2 45 VAL MG2 2 46 HIS H . . 4.040 3.716 3.489 3.864 . 0 0 "[ . 1 . 2]" 1
695 2 46 HIS H 2 46 HIS QB . . 3.060 2.276 2.108 2.480 . 0 0 "[ . 1 . 2]" 1
696 2 46 HIS H 2 46 HIS HD1 . . 4.700 3.840 2.397 4.793 0.093 16 0 "[ . 1 . 2]" 1
697 2 46 HIS H 2 47 ILE H . . 3.840 2.485 2.434 2.541 . 0 0 "[ . 1 . 2]" 1
698 2 46 HIS H 2 47 ILE HA . . 5.060 5.087 5.059 5.121 0.061 13 0 "[ . 1 . 2]" 1
699 2 46 HIS H 2 47 ILE HB . . 4.860 4.768 4.598 4.891 0.031 7 0 "[ . 1 . 2]" 1
700 2 46 HIS H 2 47 ILE MD . . 5.500 5.076 4.932 5.193 . 0 0 "[ . 1 . 2]" 1
701 2 46 HIS H 2 47 ILE HG13 . . 4.530 3.980 3.794 4.181 . 0 0 "[ . 1 . 2]" 1
702 2 46 HIS H 2 48 ILE H . . 4.800 4.256 4.075 4.380 . 0 0 "[ . 1 . 2]" 1
703 2 46 HIS H 2 49 GLN H . . 5.190 4.734 4.598 4.990 . 0 0 "[ . 1 . 2]" 1
704 2 46 HIS HA 2 49 GLN H . . 4.270 3.220 3.054 3.418 . 0 0 "[ . 1 . 2]" 1
705 2 46 HIS HA 2 49 GLN HB2 . . 4.220 2.492 2.183 3.005 . 0 0 "[ . 1 . 2]" 1
706 2 46 HIS HA 2 49 GLN HB3 . . 4.770 3.988 3.694 4.343 . 0 0 "[ . 1 . 2]" 1
707 2 46 HIS HA 2 49 GLN HE22 . . 5.500 5.050 4.753 5.512 0.012 5 0 "[ . 1 . 2]" 1
708 2 46 HIS HA 2 50 SER H . . 5.250 4.305 4.054 4.906 . 0 0 "[ . 1 . 2]" 1
709 2 46 HIS HA 2 55 LEU QD . . 4.480 4.393 4.142 4.605 0.125 13 0 "[ . 1 . 2]" 1
710 2 46 HIS QB 2 47 ILE H . . 3.560 2.764 2.502 2.936 . 0 0 "[ . 1 . 2]" 1
711 2 47 ILE H 2 47 ILE HB . . 2.780 2.563 2.484 2.635 . 0 0 "[ . 1 . 2]" 1
712 2 47 ILE H 2 47 ILE MD . . 3.890 3.631 3.569 3.717 . 0 0 "[ . 1 . 2]" 1
713 2 47 ILE H 2 47 ILE HG12 . . 3.610 3.381 3.295 3.499 . 0 0 "[ . 1 . 2]" 1
714 2 47 ILE H 2 47 ILE HG13 . . 2.440 2.141 2.047 2.277 . 0 0 "[ . 1 . 2]" 1
715 2 47 ILE H 2 47 ILE MG . . 3.760 3.768 3.740 3.785 0.025 15 0 "[ . 1 . 2]" 1
716 2 47 ILE H 2 48 ILE H . . 3.830 2.712 2.616 2.807 . 0 0 "[ . 1 . 2]" 1
717 2 47 ILE H 2 49 GLN H . . 4.480 4.058 3.977 4.166 . 0 0 "[ . 1 . 2]" 1
718 2 47 ILE HA 2 47 ILE MD . . 4.290 3.866 3.830 3.893 . 0 0 "[ . 1 . 2]" 1
719 2 47 ILE HA 2 47 ILE HG12 . . 3.070 2.548 2.474 2.602 . 0 0 "[ . 1 . 2]" 1
720 2 47 ILE HA 2 47 ILE HG13 . . 3.120 3.025 2.949 3.084 . 0 0 "[ . 1 . 2]" 1
721 2 47 ILE HA 2 47 ILE MG . . 2.900 2.428 2.342 2.548 . 0 0 "[ . 1 . 2]" 1
722 2 47 ILE HA 2 50 SER H . . 4.490 3.658 3.372 3.952 . 0 0 "[ . 1 . 2]" 1
723 2 47 ILE HA 2 50 SER QB . . 5.340 3.331 2.799 3.894 . 0 0 "[ . 1 . 2]" 1
724 2 47 ILE HA 2 77 GLU HB3 . . 5.350 5.225 4.824 5.418 0.068 11 0 "[ . 1 . 2]" 1
725 2 47 ILE HB 2 47 ILE MD . . 3.690 2.450 2.420 2.522 . 0 0 "[ . 1 . 2]" 1
726 2 47 ILE HB 2 48 ILE H . . 3.370 2.633 2.444 2.815 . 0 0 "[ . 1 . 2]" 1
727 2 47 ILE HB 2 74 THR MG . . 5.500 4.113 3.877 4.646 . 0 0 "[ . 1 . 2]" 1
728 2 47 ILE HB 2 78 LEU MD2 . . 2.450 2.390 2.100 2.515 0.065 5 0 "[ . 1 . 2]" 1
729 2 47 ILE MD 2 47 ILE MG . . 3.460 1.969 1.911 2.037 . 0 0 "[ . 1 . 2]" 1
730 2 47 ILE MD 2 48 ILE H . . 4.770 4.632 4.464 4.753 . 0 0 "[ . 1 . 2]" 1
731 2 47 ILE MD 2 77 GLU H . . 5.500 5.380 4.885 5.560 0.060 19 0 "[ . 1 . 2]" 1
732 2 47 ILE MD 2 77 GLU HB2 . . 4.960 4.661 4.179 4.933 . 0 0 "[ . 1 . 2]" 1
733 2 47 ILE MD 2 77 GLU HB3 . . 4.740 3.461 2.846 3.731 . 0 0 "[ . 1 . 2]" 1
734 2 47 ILE MD 2 78 LEU H . . 4.510 4.017 3.433 4.275 . 0 0 "[ . 1 . 2]" 1
735 2 47 ILE MD 2 78 LEU HA . . 4.230 2.595 2.160 2.810 . 0 0 "[ . 1 . 2]" 1
736 2 47 ILE MD 2 78 LEU HB3 . . 4.410 4.310 3.830 4.444 0.034 7 0 "[ . 1 . 2]" 1
737 2 47 ILE MD 2 78 LEU MD2 . . 4.010 2.838 2.488 3.017 . 0 0 "[ . 1 . 2]" 1
738 2 47 ILE MD 2 81 TYR H . . 4.540 4.049 3.737 4.249 . 0 0 "[ . 1 . 2]" 1
739 2 47 ILE MD 2 81 TYR HA . . 4.820 4.590 4.445 4.865 0.045 20 0 "[ . 1 . 2]" 1
740 2 47 ILE MD 2 81 TYR HB2 . . 4.310 2.678 2.504 2.953 . 0 0 "[ . 1 . 2]" 1
741 2 47 ILE MD 2 81 TYR HB3 . . 4.300 2.758 2.468 2.987 . 0 0 "[ . 1 . 2]" 1
742 2 47 ILE MD 2 81 TYR HD1 . . 4.440 3.482 3.097 3.826 . 0 0 "[ . 1 . 2]" 1
743 2 47 ILE MD 2 81 TYR HE1 . . 5.210 4.709 4.322 5.059 . 0 0 "[ . 1 . 2]" 1
744 2 47 ILE MD 2 82 VAL H . . 5.090 4.686 4.468 4.923 . 0 0 "[ . 1 . 2]" 1
745 2 47 ILE HG13 2 78 LEU MD2 . . 5.500 4.259 3.926 4.406 . 0 0 "[ . 1 . 2]" 1
746 2 47 ILE MG 2 50 SER H . . 5.350 4.712 4.535 5.025 . 0 0 "[ . 1 . 2]" 1
747 2 47 ILE MG 2 51 ARG H . . 5.490 5.148 4.970 5.313 . 0 0 "[ . 1 . 2]" 1
748 2 47 ILE MG 2 74 THR HA . . 4.480 3.223 2.868 3.672 . 0 0 "[ . 1 . 2]" 1
749 2 47 ILE MG 2 74 THR MG . . 3.770 2.290 2.065 2.758 . 0 0 "[ . 1 . 2]" 1
750 2 47 ILE MG 2 77 GLU H . . 4.280 4.176 3.860 4.300 0.020 19 0 "[ . 1 . 2]" 1
751 2 47 ILE MG 2 77 GLU HA . . 4.460 4.231 4.153 4.312 . 0 0 "[ . 1 . 2]" 1
752 2 47 ILE MG 2 77 GLU HB2 . . 4.130 3.415 2.941 3.594 . 0 0 "[ . 1 . 2]" 1
753 2 47 ILE MG 2 77 GLU HB3 . . 3.800 2.162 1.935 2.322 . 0 0 "[ . 1 . 2]" 1
754 2 47 ILE MG 2 78 LEU HA . . 4.130 3.036 2.882 3.315 . 0 0 "[ . 1 . 2]" 1
755 2 47 ILE MG 2 78 LEU MD2 . . 3.520 1.923 1.841 2.033 . 0 0 "[ . 1 . 2]" 1
756 2 47 ILE MG 2 81 TYR H . . 5.500 5.324 5.119 5.519 0.019 20 0 "[ . 1 . 2]" 1
757 2 48 ILE H 2 48 ILE HB . . 3.510 2.489 2.347 2.643 . 0 0 "[ . 1 . 2]" 1
758 2 48 ILE H 2 48 ILE MD . . 3.050 2.560 1.972 3.179 0.129 16 0 "[ . 1 . 2]" 1
759 2 48 ILE H 2 49 GLN H . . 3.690 2.652 2.575 2.732 . 0 0 "[ . 1 . 2]" 1
760 2 48 ILE H 2 49 GLN HA . . 5.350 5.251 5.195 5.308 . 0 0 "[ . 1 . 2]" 1
761 2 48 ILE H 2 49 GLN HB2 . . 5.130 4.897 4.709 5.019 . 0 0 "[ . 1 . 2]" 1
762 2 48 ILE H 2 49 GLN QG . . 4.930 4.022 3.828 4.204 . 0 0 "[ . 1 . 2]" 1
763 2 48 ILE H 2 50 SER H . . 4.150 4.094 3.978 4.186 0.036 19 0 "[ . 1 . 2]" 1
764 2 48 ILE H 2 74 THR MG . . 4.630 4.042 3.688 4.591 . 0 0 "[ . 1 . 2]" 1
765 2 48 ILE HA 2 48 ILE MD . . 4.350 3.360 2.744 3.846 . 0 0 "[ . 1 . 2]" 1
766 2 48 ILE HA 2 48 ILE QG . . 3.690 2.396 2.306 2.483 . 0 0 "[ . 1 . 2]" 1
767 2 48 ILE HA 2 48 ILE MG . . 2.880 2.488 2.338 2.583 . 0 0 "[ . 1 . 2]" 1
768 2 48 ILE HA 2 49 GLN HA . . 5.500 4.860 4.807 4.899 . 0 0 "[ . 1 . 2]" 1
769 2 48 ILE HA 2 50 SER H . . 4.840 3.990 3.859 4.102 . 0 0 "[ . 1 . 2]" 1
770 2 48 ILE HA 2 51 ARG H . . 4.250 3.654 3.431 3.836 . 0 0 "[ . 1 . 2]" 1
771 2 48 ILE HA 2 52 GLU H . . 4.800 4.019 3.809 4.284 . 0 0 "[ . 1 . 2]" 1
772 2 48 ILE HA 2 52 GLU QG . . 4.500 4.007 3.638 4.446 . 0 0 "[ . 1 . 2]" 1
773 2 48 ILE HA 2 70 LEU MD2 . . 5.240 3.188 2.693 3.669 . 0 0 "[ . 1 . 2]" 1
774 2 48 ILE HA 2 74 THR MG . . 3.850 2.265 1.895 2.731 . 0 0 "[ . 1 . 2]" 1
775 2 48 ILE HA 2 78 LEU MD2 . . 5.370 3.368 3.034 3.653 . 0 0 "[ . 1 . 2]" 1
776 2 48 ILE HB 2 48 ILE MD . . 3.470 2.296 2.215 2.426 . 0 0 "[ . 1 . 2]" 1
777 2 48 ILE HB 2 49 GLN H . . 3.200 2.678 2.392 2.807 . 0 0 "[ . 1 . 2]" 1
778 2 48 ILE HB 2 74 THR MG . . 5.500 4.661 4.332 5.207 . 0 0 "[ . 1 . 2]" 1
779 2 48 ILE MD 2 49 GLN QG . . 5.090 4.653 4.269 5.024 . 0 0 "[ . 1 . 2]" 1
780 2 48 ILE MD 2 63 ILE HB . . 5.500 4.687 4.449 5.044 . 0 0 "[ . 1 . 2]" 1
781 2 48 ILE MD 2 63 ILE MD . . 2.400 1.901 1.787 2.149 . 0 0 "[ . 1 . 2]" 1
782 2 48 ILE MD 2 63 ILE QG . . 4.260 2.561 2.204 3.222 . 0 0 "[ . 1 . 2]" 1
783 2 48 ILE MD 2 65 ILE HB . . 4.520 4.421 4.129 4.580 0.060 14 0 "[ . 1 . 2]" 1
784 2 48 ILE MD 2 65 ILE QG . . 4.240 2.150 1.813 2.624 . 0 0 "[ . 1 . 2]" 1
785 2 48 ILE MD 2 65 ILE MG . . 4.140 2.569 2.079 3.188 . 0 0 "[ . 1 . 2]" 1
786 2 48 ILE MD 2 74 THR MG . . 5.160 3.789 3.070 4.480 . 0 0 "[ . 1 . 2]" 1
787 2 48 ILE MD 2 78 LEU HB3 . . 5.500 4.217 3.858 4.623 . 0 0 "[ . 1 . 2]" 1
788 2 48 ILE MD 2 78 LEU MD2 . . 4.090 2.198 1.783 2.771 . 0 0 "[ . 1 . 2]" 1
789 2 48 ILE QG 2 74 THR MG . . 4.030 2.971 2.443 3.618 . 0 0 "[ . 1 . 2]" 1
790 2 48 ILE QG 2 78 LEU MD1 . . 4.380 2.989 2.503 3.391 . 0 0 "[ . 1 . 2]" 1
791 2 48 ILE MG 2 49 GLN H . . 3.410 3.303 3.124 3.437 0.027 19 0 "[ . 1 . 2]" 1
792 2 48 ILE MG 2 49 GLN HA . . 4.490 3.313 3.096 3.541 . 0 0 "[ . 1 . 2]" 1
793 2 48 ILE MG 2 49 GLN QG . . 4.590 3.655 3.296 3.860 . 0 0 "[ . 1 . 2]" 1
794 2 48 ILE MG 2 50 SER H . . 4.740 4.641 4.517 4.746 0.006 1 0 "[ . 1 . 2]" 1
795 2 48 ILE MG 2 51 ARG H . . 4.260 4.266 4.135 4.331 0.071 14 0 "[ . 1 . 2]" 1
796 2 48 ILE MG 2 52 GLU H . . 3.910 3.399 3.281 3.601 . 0 0 "[ . 1 . 2]" 1
797 2 48 ILE MG 2 52 GLU HA . . 4.460 4.472 4.356 4.522 0.062 2 0 "[ . 1 . 2]" 1
798 2 48 ILE MG 2 52 GLU HB3 . . 4.440 3.077 2.944 3.260 . 0 0 "[ . 1 . 2]" 1
799 2 48 ILE MG 2 52 GLU QG . . 2.960 2.325 1.949 2.723 . 0 0 "[ . 1 . 2]" 1
800 2 48 ILE MG 2 54 SER H . . 5.500 5.379 5.096 5.554 0.054 16 0 "[ . 1 . 2]" 1
801 2 48 ILE MG 2 55 LEU HB3 . . 4.050 3.123 2.673 3.601 . 0 0 "[ . 1 . 2]" 1
802 2 48 ILE MG 2 65 ILE HA . . 3.720 3.358 2.486 3.750 0.030 14 0 "[ . 1 . 2]" 1
803 2 48 ILE MG 2 66 ASP H . . 4.180 3.931 3.275 4.232 0.052 20 0 "[ . 1 . 2]" 1
804 2 48 ILE MG 2 70 LEU MD1 . . 4.980 3.061 2.507 3.683 . 0 0 "[ . 1 . 2]" 1
805 2 48 ILE MG 2 74 THR MG . . 4.250 3.365 2.876 3.858 . 0 0 "[ . 1 . 2]" 1
806 2 48 ILE MG 2 78 LEU MD2 . . 4.500 4.176 3.600 4.551 0.051 8 0 "[ . 1 . 2]" 1
807 2 49 GLN H 2 49 GLN HB2 . . 3.050 2.610 2.505 2.681 . 0 0 "[ . 1 . 2]" 1
808 2 49 GLN H 2 49 GLN HB3 . . 3.710 3.603 3.547 3.645 . 0 0 "[ . 1 . 2]" 1
809 2 49 GLN H 2 49 GLN HE21 . . 4.920 4.968 4.946 4.995 0.075 4 0 "[ . 1 . 2]" 1
810 2 49 GLN H 2 49 GLN HG2 . . 3.830 2.958 2.863 3.036 . 0 0 "[ . 1 . 2]" 1
811 2 49 GLN H 2 49 GLN QG . . 3.270 2.047 1.944 2.142 . 0 0 "[ . 1 . 2]" 1
812 2 49 GLN H 2 49 GLN HG3 . . 3.830 2.089 1.969 2.206 . 0 0 "[ . 1 . 2]" 1
813 2 49 GLN H 2 50 SER H . . 3.700 2.726 2.649 2.779 . 0 0 "[ . 1 . 2]" 1
814 2 49 GLN H 2 50 SER HA . . 5.500 5.308 5.215 5.369 . 0 0 "[ . 1 . 2]" 1
815 2 49 GLN H 2 50 SER QB . . 4.980 4.682 4.369 4.853 . 0 0 "[ . 1 . 2]" 1
816 2 49 GLN H 2 51 ARG H . . 4.890 4.448 4.281 4.588 . 0 0 "[ . 1 . 2]" 1
817 2 49 GLN H 2 52 GLU H . . 4.970 4.575 4.468 4.672 . 0 0 "[ . 1 . 2]" 1
818 2 49 GLN H 2 55 LEU HB3 . . 4.700 4.388 4.077 4.648 . 0 0 "[ . 1 . 2]" 1
819 2 49 GLN H 2 74 THR MG . . 5.250 5.017 4.644 5.279 0.029 11 0 "[ . 1 . 2]" 1
820 2 49 GLN HA 2 49 GLN HE21 . . 4.460 3.834 3.753 3.914 . 0 0 "[ . 1 . 2]" 1
821 2 49 GLN HA 2 49 GLN HE22 . . 5.280 5.299 5.242 5.342 0.062 7 0 "[ . 1 . 2]" 1
822 2 49 GLN HA 2 49 GLN HG2 . . 4.020 2.360 2.243 2.431 . 0 0 "[ . 1 . 2]" 1
823 2 49 GLN HA 2 49 GLN QG . . 3.330 2.304 2.192 2.372 . 0 0 "[ . 1 . 2]" 1
824 2 49 GLN HA 2 49 GLN HG3 . . 4.020 3.223 3.076 3.348 . 0 0 "[ . 1 . 2]" 1
825 2 49 GLN HA 2 52 GLU H . . 3.970 3.242 3.015 3.546 . 0 0 "[ . 1 . 2]" 1
826 2 49 GLN HA 2 55 LEU HB3 . . 3.410 2.826 2.437 3.283 . 0 0 "[ . 1 . 2]" 1
827 2 49 GLN HA 2 56 ARG HG3 . . 4.130 2.955 2.599 4.032 . 0 0 "[ . 1 . 2]" 1
828 2 49 GLN HB2 2 50 SER H . . 3.220 2.872 2.787 2.978 . 0 0 "[ . 1 . 2]" 1
829 2 49 GLN HB3 2 49 GLN HE21 . . 4.400 2.855 2.771 2.924 . 0 0 "[ . 1 . 2]" 1
830 2 49 GLN HB3 2 50 SER H . . 4.050 3.875 3.750 3.965 . 0 0 "[ . 1 . 2]" 1
831 2 49 GLN HE21 2 55 LEU QD . . 3.930 2.249 1.999 3.152 . 0 0 "[ . 1 . 2]" 1
832 2 49 GLN HE21 2 56 ARG H . . 2.990 3.058 3.010 3.082 0.092 3 0 "[ . 1 . 2]" 1
833 2 49 GLN HE21 2 56 ARG HA . . 4.500 2.100 1.754 3.116 . 0 0 "[ . 1 . 2]" 1
834 2 49 GLN HE21 2 56 ARG HG3 . . 4.730 2.576 2.202 2.796 . 0 0 "[ . 1 . 2]" 1
835 2 49 GLN HE22 2 55 LEU QD . . 3.980 3.155 2.885 4.076 0.096 8 0 "[ . 1 . 2]" 1
836 2 49 GLN HE22 2 56 ARG HG2 . . 5.500 2.861 2.303 3.147 . 0 0 "[ . 1 . 2]" 1
837 2 49 GLN QG 2 50 SER H . . 4.110 3.979 3.910 4.017 . 0 0 "[ . 1 . 2]" 1
838 2 49 GLN QG 2 55 LEU HB3 . . 4.770 2.530 2.255 3.002 . 0 0 "[ . 1 . 2]" 1
839 2 49 GLN QG 2 55 LEU QD . . 3.220 1.794 1.720 1.905 . 0 0 "[ . 1 . 2]" 1
840 2 49 GLN HG2 2 50 SER H . . 4.770 4.797 4.749 4.828 0.058 12 0 "[ . 1 . 2]" 1
841 2 49 GLN HG3 2 50 SER H . . 4.770 4.249 4.160 4.313 . 0 0 "[ . 1 . 2]" 1
842 2 50 SER H 2 50 SER QB . . 3.410 2.387 2.205 2.513 . 0 0 "[ . 1 . 2]" 1
843 2 50 SER H 2 51 ARG H . . 3.570 2.727 2.562 2.839 . 0 0 "[ . 1 . 2]" 1
844 2 50 SER H 2 52 GLU H . . 4.530 3.878 3.765 3.948 . 0 0 "[ . 1 . 2]" 1
845 2 50 SER H 2 74 THR MG . . 4.950 4.558 4.211 4.836 . 0 0 "[ . 1 . 2]" 1
846 2 50 SER HA 2 52 GLU H . . 5.500 4.774 4.507 4.941 . 0 0 "[ . 1 . 2]" 1
847 2 50 SER QB 2 51 ARG H . . 3.090 2.589 2.517 2.672 . 0 0 "[ . 1 . 2]" 1
848 2 50 SER QB 2 52 GLU H . . 4.380 4.428 4.351 4.498 0.118 6 0 "[ . 1 . 2]" 1
849 2 50 SER HB2 2 51 ARG H . . 3.930 2.896 2.583 3.904 . 0 0 "[ . 1 . 2]" 1
850 2 50 SER HB3 2 51 ARG H . . 3.930 3.522 2.550 3.861 . 0 0 "[ . 1 . 2]" 1
851 2 51 ARG H 2 51 ARG HB2 . . 3.040 2.792 2.449 3.044 0.004 6 0 "[ . 1 . 2]" 1
852 2 51 ARG H 2 51 ARG QB . . 2.620 2.353 2.227 2.436 . 0 0 "[ . 1 . 2]" 1
853 2 51 ARG H 2 51 ARG HB3 . . 3.040 2.552 2.290 2.673 . 0 0 "[ . 1 . 2]" 1
854 2 51 ARG H 2 51 ARG QD . . 4.640 4.417 4.198 4.588 . 0 0 "[ . 1 . 2]" 1
855 2 51 ARG H 2 52 GLU H . . 3.270 2.043 1.967 2.130 . 0 0 "[ . 1 . 2]" 1
856 2 51 ARG H 2 52 GLU HA . . 4.940 4.776 4.733 4.858 . 0 0 "[ . 1 . 2]" 1
857 2 51 ARG H 2 70 LEU MD2 . . 5.500 4.632 4.114 5.044 . 0 0 "[ . 1 . 2]" 1
858 2 51 ARG H 2 74 THR MG . . 4.250 3.585 3.217 3.879 . 0 0 "[ . 1 . 2]" 1
859 2 51 ARG HA 2 74 THR MG . . 5.500 5.052 4.442 5.429 . 0 0 "[ . 1 . 2]" 1
860 2 51 ARG QB 2 51 ARG QD . . 2.770 2.244 2.081 2.452 . 0 0 "[ . 1 . 2]" 1
861 2 51 ARG QB 2 52 GLU H . . 3.720 2.674 2.286 3.125 . 0 0 "[ . 1 . 2]" 1
862 2 51 ARG QB 2 74 THR HB . . 4.670 3.834 2.949 4.203 . 0 0 "[ . 1 . 2]" 1
863 2 51 ARG QB 2 74 THR MG . . 3.500 2.647 2.099 3.077 . 0 0 "[ . 1 . 2]" 1
864 2 51 ARG HB2 2 74 THR MG . . 4.180 3.213 2.188 3.701 . 0 0 "[ . 1 . 2]" 1
865 2 51 ARG HB3 2 74 THR MG . . 4.180 2.852 2.195 3.305 . 0 0 "[ . 1 . 2]" 1
866 2 51 ARG QD 2 52 GLU H . . 4.680 4.064 3.581 4.492 . 0 0 "[ . 1 . 2]" 1
867 2 51 ARG QD 2 52 GLU HA . . 4.800 3.943 3.047 4.820 0.020 20 0 "[ . 1 . 2]" 1
868 2 51 ARG QD 2 52 GLU QG . . 3.990 2.899 2.406 4.010 0.020 6 0 "[ . 1 . 2]" 1
869 2 51 ARG QD 2 70 LEU HA . . 3.920 3.233 2.158 3.999 0.079 13 0 "[ . 1 . 2]" 1
870 2 51 ARG QD 2 70 LEU MD2 . . 4.050 2.612 2.012 3.852 . 0 0 "[ . 1 . 2]" 1
871 2 51 ARG QD 2 71 LYS H . . 4.570 2.821 2.174 3.434 . 0 0 "[ . 1 . 2]" 1
872 2 51 ARG QD 2 74 THR H . . 5.340 4.745 3.793 5.467 0.127 17 0 "[ . 1 . 2]" 1
873 2 51 ARG QD 2 74 THR MG . . 4.420 3.732 2.681 4.433 0.013 14 0 "[ . 1 . 2]" 1
874 2 52 GLU H 2 52 GLU HB2 . . 3.670 2.392 2.311 2.513 . 0 0 "[ . 1 . 2]" 1
875 2 52 GLU H 2 52 GLU HB3 . . 3.840 3.617 3.548 3.691 . 0 0 "[ . 1 . 2]" 1
876 2 52 GLU H 2 52 GLU QG . . 3.650 2.862 2.591 3.163 . 0 0 "[ . 1 . 2]" 1
877 2 52 GLU H 2 53 PRO HB3 . . 5.500 5.600 5.556 5.663 0.163 13 0 "[ . 1 . 2]" 1
878 2 52 GLU H 2 55 LEU HB3 . . 5.470 4.964 4.629 5.200 . 0 0 "[ . 1 . 2]" 1
879 2 52 GLU H 2 74 THR MG . . 4.590 4.290 4.049 4.549 . 0 0 "[ . 1 . 2]" 1
880 2 52 GLU HA 2 52 GLU QG . . 3.700 2.876 2.667 3.050 . 0 0 "[ . 1 . 2]" 1
881 2 52 GLU HA 2 53 PRO HD2 . . 3.540 2.178 2.078 2.268 . 0 0 "[ . 1 . 2]" 1
882 2 52 GLU HA 2 53 PRO HG2 . . 4.340 4.318 4.212 4.358 0.018 3 0 "[ . 1 . 2]" 1
883 2 52 GLU HA 2 54 SER H . . 3.210 3.115 2.908 3.249 0.039 3 0 "[ . 1 . 2]" 1
884 2 52 GLU HA 2 55 LEU HB3 . . 5.500 5.431 5.241 5.535 0.035 18 0 "[ . 1 . 2]" 1
885 2 52 GLU HB2 2 55 LEU HB3 . . 3.990 3.452 3.135 3.735 . 0 0 "[ . 1 . 2]" 1
886 2 52 GLU HB3 2 54 SER H . . 3.600 2.964 2.636 3.231 . 0 0 "[ . 1 . 2]" 1
887 2 52 GLU HB3 2 55 LEU HB3 . . 3.610 3.624 3.420 3.718 0.108 12 0 "[ . 1 . 2]" 1
888 2 52 GLU HB3 2 56 ARG H . . 5.500 4.735 4.343 5.076 . 0 0 "[ . 1 . 2]" 1
889 2 52 GLU HB3 2 70 LEU MD2 . . 5.330 4.532 4.138 5.152 . 0 0 "[ . 1 . 2]" 1
890 2 52 GLU QG 2 53 PRO HD2 . . 5.220 4.647 4.282 4.920 . 0 0 "[ . 1 . 2]" 1
891 2 52 GLU QG 2 70 LEU MD2 . . 3.250 2.214 1.969 2.878 . 0 0 "[ . 1 . 2]" 1
892 2 52 GLU QG 2 71 LYS H . . 5.340 5.064 4.389 5.401 0.061 2 0 "[ . 1 . 2]" 1
893 2 52 GLU QG 2 74 THR MG . . 4.300 3.753 3.171 4.291 . 0 0 "[ . 1 . 2]" 1
894 2 53 PRO HA 2 56 ARG QD . . 3.670 2.163 1.856 3.709 0.039 13 0 "[ . 1 . 2]" 1
895 2 53 PRO HA 2 56 ARG HG3 . . 3.380 2.650 2.276 3.265 . 0 0 "[ . 1 . 2]" 1
896 2 53 PRO HB3 2 54 SER H . . 4.590 4.247 4.118 4.330 . 0 0 "[ . 1 . 2]" 1
897 2 53 PRO HD2 2 54 SER H . . 3.250 2.294 2.180 2.452 . 0 0 "[ . 1 . 2]" 1
898 2 53 PRO HG2 2 54 SER H . . 3.430 2.989 2.736 3.191 . 0 0 "[ . 1 . 2]" 1
899 2 54 SER H 2 54 SER QB . . 3.370 2.471 2.199 2.637 . 0 0 "[ . 1 . 2]" 1
900 2 54 SER H 2 55 LEU H . . 4.190 2.387 2.330 2.472 . 0 0 "[ . 1 . 2]" 1
901 2 54 SER H 2 55 LEU HA . . 5.020 5.027 4.982 5.070 0.050 8 0 "[ . 1 . 2]" 1
902 2 54 SER H 2 55 LEU HB3 . . 4.600 4.604 4.417 4.657 0.057 19 0 "[ . 1 . 2]" 1
903 2 54 SER H 2 56 ARG HB2 . . 5.500 4.960 4.654 5.215 . 0 0 "[ . 1 . 2]" 1
904 2 54 SER HA 2 54 SER QB . . 2.520 2.283 2.162 2.420 . 0 0 "[ . 1 . 2]" 1
905 2 54 SER HA 2 57 ASP H . . 4.010 3.353 2.892 4.032 0.022 18 0 "[ . 1 . 2]" 1
906 2 54 SER QB 2 55 LEU H . . 3.830 2.897 2.369 3.480 . 0 0 "[ . 1 . 2]" 1
907 2 55 LEU H 2 55 LEU HB3 . . 3.170 2.488 2.311 2.549 . 0 0 "[ . 1 . 2]" 1
908 2 55 LEU H 2 55 LEU MD1 . . 4.940 4.186 4.061 4.300 . 0 0 "[ . 1 . 2]" 1
909 2 55 LEU H 2 55 LEU QD . . 4.240 3.694 3.601 3.754 . 0 0 "[ . 1 . 2]" 1
910 2 55 LEU H 2 55 LEU MD2 . . 4.940 4.118 3.945 4.257 . 0 0 "[ . 1 . 2]" 1
911 2 55 LEU H 2 56 ARG H . . 4.720 2.524 2.390 2.704 . 0 0 "[ . 1 . 2]" 1
912 2 55 LEU H 2 57 ASP H . . 5.500 3.780 3.537 4.067 . 0 0 "[ . 1 . 2]" 1
913 2 55 LEU HA 2 55 LEU MD1 . . 3.650 3.313 2.190 3.785 0.135 16 0 "[ . 1 . 2]" 1
914 2 55 LEU HA 2 55 LEU MD2 . . 3.650 2.690 2.076 3.773 0.123 8 0 "[ . 1 . 2]" 1
915 2 55 LEU HA 2 56 ARG HG3 . . 5.500 5.429 5.208 5.531 0.031 8 0 "[ . 1 . 2]" 1
916 2 55 LEU HA 2 57 ASP H . . 4.060 4.028 3.694 4.154 0.094 13 0 "[ . 1 . 2]" 1
917 2 55 LEU HA 2 58 SER QB . . 4.210 2.869 2.335 3.939 . 0 0 "[ . 1 . 2]" 1
918 2 55 LEU HB3 2 55 LEU MD1 . . 3.340 2.463 2.295 3.194 . 0 0 "[ . 1 . 2]" 1
919 2 55 LEU HB3 2 55 LEU QD . . 2.880 2.233 1.955 2.456 . 0 0 "[ . 1 . 2]" 1
920 2 55 LEU HB3 2 55 LEU MD2 . . 3.340 2.743 1.972 3.222 . 0 0 "[ . 1 . 2]" 1
921 2 55 LEU HB3 2 56 ARG HB2 . . 5.500 4.955 4.597 5.504 0.004 18 0 "[ . 1 . 2]" 1
922 2 55 LEU QD 2 56 ARG H . . 3.160 3.202 3.159 3.251 0.091 7 0 "[ . 1 . 2]" 1
923 2 55 LEU QD 2 56 ARG HA . . 4.430 3.198 2.969 4.004 . 0 0 "[ . 1 . 2]" 1
924 2 55 LEU QD 2 56 ARG HB3 . . 5.440 5.000 4.839 5.456 0.016 8 0 "[ . 1 . 2]" 1
925 2 55 LEU QD 2 56 ARG HG3 . . 3.620 3.712 3.645 3.788 0.168 10 0 "[ . 1 . 2]" 1
926 2 55 LEU QD 2 58 SER QB . . 4.530 3.184 2.001 4.019 . 0 0 "[ . 1 . 2]" 1
927 2 55 LEU QD 2 59 ASN H . . 5.440 4.781 3.908 5.449 0.009 12 0 "[ . 1 . 2]" 1
928 2 56 ARG H 2 56 ARG HB3 . . 4.160 3.589 3.548 3.613 . 0 0 "[ . 1 . 2]" 1
929 2 56 ARG H 2 57 ASP H . . 4.380 2.725 2.535 2.917 . 0 0 "[ . 1 . 2]" 1
930 2 56 ARG HA 2 56 ARG QD . . 4.700 4.112 3.852 4.240 . 0 0 "[ . 1 . 2]" 1
931 2 56 ARG HA 2 56 ARG HG2 . . 3.280 2.617 2.453 2.747 . 0 0 "[ . 1 . 2]" 1
932 2 56 ARG HA 2 56 ARG HG3 . . 3.070 3.021 2.884 3.098 0.028 3 0 "[ . 1 . 2]" 1
933 2 56 ARG HB2 2 56 ARG QD . . 2.720 2.297 2.141 2.489 . 0 0 "[ . 1 . 2]" 1
934 2 56 ARG HB2 2 57 ASP H . . 3.700 2.696 2.555 2.882 . 0 0 "[ . 1 . 2]" 1
935 2 56 ARG HB2 2 57 ASP HA . . 4.960 4.311 4.073 4.453 . 0 0 "[ . 1 . 2]" 1
936 2 56 ARG HB3 2 57 ASP H . . 4.130 3.737 3.511 3.912 . 0 0 "[ . 1 . 2]" 1
937 2 56 ARG QD 2 57 ASP H . . 4.660 4.681 4.423 4.816 0.156 13 0 "[ . 1 . 2]" 1
938 2 57 ASP H 2 57 ASP HB2 . . 3.860 2.572 2.152 2.734 . 0 0 "[ . 1 . 2]" 1
939 2 57 ASP H 2 57 ASP QB . . 3.350 2.264 2.131 2.427 . 0 0 "[ . 1 . 2]" 1
940 2 57 ASP H 2 57 ASP HB3 . . 3.860 2.681 2.293 3.637 . 0 0 "[ . 1 . 2]" 1
941 2 57 ASP H 2 58 SER H . . 4.670 2.538 2.346 2.688 . 0 0 "[ . 1 . 2]" 1
942 2 57 ASP H 2 58 SER QB . . 4.750 4.501 4.203 4.817 0.067 17 0 "[ . 1 . 2]" 1
943 2 57 ASP HA 2 57 ASP QB . . 2.420 2.361 2.282 2.493 0.073 20 0 "[ . 1 . 2]" 1
944 2 58 SER HA 2 58 SER QB . . 2.610 2.361 2.185 2.439 . 0 0 "[ . 1 . 2]" 1
945 2 58 SER HA 2 59 ASN H . . 2.830 2.743 2.532 2.878 0.048 11 0 "[ . 1 . 2]" 1
946 2 58 SER QB 2 59 ASN H . . 3.860 2.356 1.900 3.070 . 0 0 "[ . 1 . 2]" 1
947 2 59 ASN H 2 59 ASN HB2 . . 4.040 2.536 2.385 2.912 . 0 0 "[ . 1 . 2]" 1
948 2 59 ASN H 2 59 ASN QB . . 3.450 2.449 2.335 2.581 . 0 0 "[ . 1 . 2]" 1
949 2 59 ASN H 2 59 ASN HB3 . . 4.040 3.548 2.458 3.734 . 0 0 "[ . 1 . 2]" 1
950 2 59 ASN H 2 60 PRO HD3 . . 5.170 4.889 4.527 5.165 . 0 0 "[ . 1 . 2]" 1
951 2 59 ASN H 2 61 ASP H . . 5.240 4.915 4.647 5.245 0.005 9 0 "[ . 1 . 2]" 1
952 2 59 ASN HA 2 59 ASN HD21 . . 4.180 2.658 1.837 3.784 . 0 0 "[ . 1 . 2]" 1
953 2 59 ASN HA 2 59 ASN QD . . 3.470 2.583 1.830 3.530 0.060 4 0 "[ . 1 . 2]" 1
954 2 59 ASN HA 2 59 ASN HD22 . . 4.180 3.789 3.420 4.223 0.043 4 0 "[ . 1 . 2]" 1
955 2 59 ASN HA 2 60 PRO HD2 . . 2.920 2.218 1.983 2.443 . 0 0 "[ . 1 . 2]" 1
956 2 59 ASN HA 2 60 PRO HG2 . . 4.620 4.390 4.215 4.561 . 0 0 "[ . 1 . 2]" 1
957 2 59 ASN HA 2 61 ASP H . . 4.240 3.705 3.408 3.990 . 0 0 "[ . 1 . 2]" 1
958 2 59 ASN QB 2 60 PRO HD2 . . 3.290 2.654 2.224 3.377 0.087 7 0 "[ . 1 . 2]" 1
959 2 59 ASN QB 2 61 ASP H . . 4.350 2.525 2.208 3.675 . 0 0 "[ . 1 . 2]" 1
960 2 59 ASN QB 2 62 GLU H . . 4.180 3.182 2.486 4.031 . 0 0 "[ . 1 . 2]" 1
961 2 59 ASN HB2 2 60 PRO HD2 . . 4.020 3.989 3.606 4.141 0.121 11 0 "[ . 1 . 2]" 1
962 2 59 ASN HB3 2 60 PRO HD2 . . 4.020 2.744 2.240 4.050 0.030 9 0 "[ . 1 . 2]" 1
963 2 59 ASN QD 2 60 PRO HD2 . . 5.340 3.450 2.461 5.020 . 0 0 "[ . 1 . 2]" 1
964 2 60 PRO QB 2 61 ASP H . . 3.900 3.533 3.402 3.640 . 0 0 "[ . 1 . 2]" 1
965 2 60 PRO QB 2 62 GLU H . . 5.340 4.916 4.657 5.316 . 0 0 "[ . 1 . 2]" 1
966 2 60 PRO HD2 2 61 ASP H . . 3.180 2.779 2.353 3.020 . 0 0 "[ . 1 . 2]" 1
967 2 60 PRO HD2 2 61 ASP HA . . 5.460 5.267 4.768 5.494 0.034 5 0 "[ . 1 . 2]" 1
968 2 60 PRO HG2 2 61 ASP H . . 3.280 3.008 2.834 3.235 . 0 0 "[ . 1 . 2]" 1
969 2 61 ASP H 2 61 ASP HB2 . . 3.110 2.445 2.313 2.568 . 0 0 "[ . 1 . 2]" 1
970 2 61 ASP H 2 61 ASP QB . . 2.600 2.215 2.135 2.271 . 0 0 "[ . 1 . 2]" 1
971 2 61 ASP H 2 61 ASP HB3 . . 3.110 2.541 2.445 2.676 . 0 0 "[ . 1 . 2]" 1
972 2 61 ASP H 2 62 GLU H . . 3.250 2.465 2.136 2.716 . 0 0 "[ . 1 . 2]" 1
973 2 61 ASP H 2 62 GLU QB . . 5.050 4.483 3.950 4.967 . 0 0 "[ . 1 . 2]" 1
974 2 61 ASP QB 2 62 GLU H . . 3.020 2.481 2.249 2.671 . 0 0 "[ . 1 . 2]" 1
975 2 61 ASP HB2 2 62 GLU H . . 3.630 3.702 3.655 3.760 0.130 1 0 "[ . 1 . 2]" 1
976 2 61 ASP HB3 2 62 GLU H . . 3.630 2.523 2.270 2.735 . 0 0 "[ . 1 . 2]" 1
977 2 62 GLU H 2 62 GLU HB2 . . 3.680 2.839 2.286 3.710 0.030 11 0 "[ . 1 . 2]" 1
978 2 62 GLU H 2 62 GLU HB3 . . 3.680 2.880 2.422 3.681 0.001 7 0 "[ . 1 . 2]" 1
979 2 62 GLU HA 2 62 GLU QG . . 3.730 2.560 2.396 3.367 . 0 0 "[ . 1 . 2]" 1
980 2 63 ILE HA 2 63 ILE MD . . 3.850 3.858 3.735 3.963 0.113 3 0 "[ . 1 . 2]" 1
981 2 63 ILE HA 2 63 ILE MG . . 3.710 3.204 3.120 3.256 . 0 0 "[ . 1 . 2]" 1
982 2 63 ILE HA 2 64 GLU H . . 2.990 2.142 1.981 2.307 . 0 0 "[ . 1 . 2]" 1
983 2 63 ILE HB 2 65 ILE MD . . 5.500 4.553 3.889 5.501 0.001 14 0 "[ . 1 . 2]" 1
984 2 63 ILE HB 2 65 ILE QG . . 5.340 4.596 4.096 5.362 0.022 15 0 "[ . 1 . 2]" 1
985 2 63 ILE MD 2 65 ILE QG . . 3.720 2.388 1.964 2.881 . 0 0 "[ . 1 . 2]" 1
986 2 63 ILE MD 2 78 LEU HB3 . . 5.500 5.458 5.024 5.679 0.179 14 0 "[ . 1 . 2]" 1
987 2 63 ILE QG 2 63 ILE MG . . 3.240 2.339 2.120 2.461 . 0 0 "[ . 1 . 2]" 1
988 2 63 ILE QG 2 64 GLU H . . 3.000 2.631 2.292 3.003 0.003 17 0 "[ . 1 . 2]" 1
989 2 63 ILE HG12 2 64 GLU H . . 3.870 2.828 2.385 3.304 . 0 0 "[ . 1 . 2]" 1
990 2 63 ILE HG13 2 64 GLU H . . 3.870 3.154 2.877 3.483 . 0 0 "[ . 1 . 2]" 1
991 2 63 ILE MG 2 64 GLU H . . 3.910 3.747 3.310 4.023 0.113 17 0 "[ . 1 . 2]" 1
992 2 63 ILE MG 2 64 GLU HA . . 3.970 3.747 3.227 4.037 0.067 3 0 "[ . 1 . 2]" 1
993 2 63 ILE MG 2 65 ILE QG . . 5.340 2.774 1.823 3.768 . 0 0 "[ . 1 . 2]" 1
994 2 64 GLU H 2 64 GLU HB2 . . 3.920 2.944 2.301 3.711 . 0 0 "[ . 1 . 2]" 1
995 2 64 GLU H 2 64 GLU QB . . 3.190 2.513 2.272 2.900 . 0 0 "[ . 1 . 2]" 1
996 2 64 GLU H 2 64 GLU HB3 . . 3.920 2.927 2.495 3.752 . 0 0 "[ . 1 . 2]" 1
997 2 64 GLU H 2 65 ILE H . . 4.210 4.005 3.734 4.201 . 0 0 "[ . 1 . 2]" 1
998 2 64 GLU H 2 65 ILE QG . . 4.860 4.002 3.327 4.733 . 0 0 "[ . 1 . 2]" 1
999 2 64 GLU QB 2 65 ILE H . . 4.410 3.769 3.354 3.967 . 0 0 "[ . 1 . 2]" 1
1000 2 65 ILE H 2 65 ILE HB . . 3.620 2.712 2.547 2.849 . 0 0 "[ . 1 . 2]" 1
1001 2 65 ILE H 2 65 ILE MD . . 5.500 3.381 1.786 4.148 . 0 0 "[ . 1 . 2]" 1
1002 2 65 ILE H 2 66 ASP H . . 4.730 4.125 3.799 4.403 . 0 0 "[ . 1 . 2]" 1
1003 2 65 ILE HA 2 65 ILE MD . . 4.200 3.806 3.331 3.991 . 0 0 "[ . 1 . 2]" 1
1004 2 65 ILE HA 2 66 ASP H . . 3.180 2.137 2.011 2.306 . 0 0 "[ . 1 . 2]" 1
1005 2 65 ILE HB 2 65 ILE MD . . 3.700 2.401 2.273 2.527 . 0 0 "[ . 1 . 2]" 1
1006 2 65 ILE HB 2 66 ASP H . . 4.260 4.230 4.006 4.304 0.044 9 0 "[ . 1 . 2]" 1
1007 2 65 ILE MD 2 65 ILE MG . . 3.590 2.209 1.862 3.199 . 0 0 "[ . 1 . 2]" 1
1008 2 65 ILE MD 2 67 PHE HE1 . . 5.440 3.945 2.477 5.065 . 0 0 "[ . 1 . 2]" 1
1009 2 65 ILE QG 2 66 ASP H . . 4.680 4.392 4.058 4.661 . 0 0 "[ . 1 . 2]" 1
1010 2 65 ILE MG 2 66 ASP H . . 3.920 3.092 2.589 3.455 . 0 0 "[ . 1 . 2]" 1
1011 2 65 ILE MG 2 70 LEU MD1 . . 4.490 2.246 1.993 2.752 . 0 0 "[ . 1 . 2]" 1
1012 2 65 ILE MG 2 70 LEU MD2 . . 4.540 4.090 3.655 4.585 0.045 16 0 "[ . 1 . 2]" 1
1013 2 66 ASP H 2 66 ASP QB . . 3.470 2.434 2.273 3.162 . 0 0 "[ . 1 . 2]" 1
1014 2 66 ASP H 2 70 LEU MD1 . . 3.520 2.886 2.539 3.260 . 0 0 "[ . 1 . 2]" 1
1015 2 66 ASP H 2 70 LEU MD2 . . 4.130 4.104 3.793 4.163 0.033 19 0 "[ . 1 . 2]" 1
1016 2 66 ASP H 2 70 LEU HG . . 3.810 3.282 2.955 3.685 . 0 0 "[ . 1 . 2]" 1
1017 2 66 ASP H 2 75 LEU MD2 . . 5.500 5.217 4.541 5.523 0.023 17 0 "[ . 1 . 2]" 1
1018 2 68 GLU HA 2 68 GLU QG . . 3.720 2.919 2.394 3.142 . 0 0 "[ . 1 . 2]" 1
1019 2 68 GLU HA 2 70 LEU H . . 5.500 4.268 3.862 4.608 . 0 0 "[ . 1 . 2]" 1
1020 2 68 GLU QB 2 69 THR H . . 3.590 2.467 2.172 2.738 . 0 0 "[ . 1 . 2]" 1
1021 2 68 GLU QB 2 69 THR MG . . 4.050 3.564 2.943 4.051 0.001 20 0 "[ . 1 . 2]" 1
1022 2 68 GLU HB2 2 69 THR H . . 4.130 2.518 2.194 2.810 . 0 0 "[ . 1 . 2]" 1
1023 2 68 GLU HB2 2 70 LEU H . . 5.500 4.683 4.475 4.933 . 0 0 "[ . 1 . 2]" 1
1024 2 68 GLU HB3 2 69 THR H . . 4.130 3.579 3.302 3.940 . 0 0 "[ . 1 . 2]" 1
1025 2 68 GLU HB3 2 70 LEU H . . 5.500 5.348 5.052 5.520 0.020 9 0 "[ . 1 . 2]" 1
1026 2 68 GLU QG 2 69 THR H . . 4.740 3.933 3.606 4.349 . 0 0 "[ . 1 . 2]" 1
1027 2 68 GLU QG 2 69 THR MG . . 5.340 5.137 4.462 5.570 0.230 4 0 "[ . 1 . 2]" 1
1028 2 69 THR H 2 69 THR HB . . 3.910 3.207 2.667 3.685 . 0 0 "[ . 1 . 2]" 1
1029 2 69 THR H 2 69 THR MG . . 3.450 3.140 2.444 3.571 0.121 18 0 "[ . 1 . 2]" 1
1030 2 69 THR H 2 70 LEU H . . 3.270 2.393 2.298 2.574 . 0 0 "[ . 1 . 2]" 1
1031 2 69 THR H 2 70 LEU HB2 . . 4.370 4.384 4.325 4.404 0.034 10 0 "[ . 1 . 2]" 1
1032 2 69 THR H 2 70 LEU MD1 . . 5.320 5.077 4.819 5.257 . 0 0 "[ . 1 . 2]" 1
1033 2 69 THR H 2 70 LEU HG . . 4.730 4.493 4.114 4.735 0.005 20 0 "[ . 1 . 2]" 1
1034 2 69 THR HA 2 69 THR MG . . 3.270 2.161 2.042 2.349 . 0 0 "[ . 1 . 2]" 1
1035 2 69 THR HA 2 70 LEU HB2 . . 5.500 5.470 5.296 5.538 0.038 20 0 "[ . 1 . 2]" 1
1036 2 69 THR HB 2 70 LEU MD2 . . 5.500 5.067 4.537 5.540 0.040 7 0 "[ . 1 . 2]" 1
1037 2 69 THR MG 2 70 LEU H . . 4.430 4.215 4.030 4.464 0.034 11 0 "[ . 1 . 2]" 1
1038 2 70 LEU H 2 70 LEU HB2 . . 3.700 2.256 2.203 2.316 . 0 0 "[ . 1 . 2]" 1
1039 2 70 LEU H 2 70 LEU HB3 . . 3.590 3.534 3.507 3.570 . 0 0 "[ . 1 . 2]" 1
1040 2 70 LEU H 2 70 LEU MD1 . . 4.480 3.702 3.566 3.925 . 0 0 "[ . 1 . 2]" 1
1041 2 70 LEU H 2 70 LEU MD2 . . 4.260 3.853 3.605 4.062 . 0 0 "[ . 1 . 2]" 1
1042 2 70 LEU H 2 70 LEU HG . . 3.750 2.872 2.527 3.241 . 0 0 "[ . 1 . 2]" 1
1043 2 70 LEU H 2 71 LYS H . . 4.590 4.549 4.496 4.593 0.003 7 0 "[ . 1 . 2]" 1
1044 2 70 LEU HA 2 70 LEU HB3 . . 2.920 2.598 2.527 2.650 . 0 0 "[ . 1 . 2]" 1
1045 2 70 LEU HA 2 70 LEU MD1 . . 4.010 3.822 3.793 3.852 . 0 0 "[ . 1 . 2]" 1
1046 2 70 LEU HA 2 70 LEU MD2 . . 2.780 2.031 1.952 2.072 . 0 0 "[ . 1 . 2]" 1
1047 2 70 LEU HA 2 70 LEU HG . . 4.270 2.832 2.732 2.979 . 0 0 "[ . 1 . 2]" 1
1048 2 70 LEU HA 2 71 LYS H . . 3.340 2.158 2.100 2.292 . 0 0 "[ . 1 . 2]" 1
1049 2 70 LEU HA 2 74 THR MG . . 5.500 4.625 4.144 4.980 . 0 0 "[ . 1 . 2]" 1
1050 2 70 LEU HA 2 75 LEU H . . 5.470 5.408 5.167 5.539 0.069 15 0 "[ . 1 . 2]" 1
1051 2 70 LEU HB2 2 71 LYS H . . 4.180 4.038 3.816 4.154 . 0 0 "[ . 1 . 2]" 1
1052 2 70 LEU HB2 2 74 THR HB . . 5.500 4.602 4.306 4.841 . 0 0 "[ . 1 . 2]" 1
1053 2 70 LEU HB2 2 75 LEU MD1 . . 5.500 2.941 2.637 3.138 . 0 0 "[ . 1 . 2]" 1
1054 2 70 LEU HB2 2 78 LEU MD1 . . 5.500 4.490 4.278 4.779 . 0 0 "[ . 1 . 2]" 1
1055 2 70 LEU HB3 2 70 LEU MD2 . . 2.400 2.244 2.203 2.287 . 0 0 "[ . 1 . 2]" 1
1056 2 70 LEU HB3 2 71 LYS H . . 3.000 2.839 2.472 3.001 0.001 3 0 "[ . 1 . 2]" 1
1057 2 70 LEU HB3 2 74 THR HB . . 4.430 2.873 2.558 3.125 . 0 0 "[ . 1 . 2]" 1
1058 2 70 LEU MD1 2 71 LYS H . . 4.670 4.570 4.132 4.718 0.048 19 0 "[ . 1 . 2]" 1
1059 2 70 LEU MD1 2 74 THR H . . 5.500 5.474 5.236 5.549 0.049 10 0 "[ . 1 . 2]" 1
1060 2 70 LEU MD1 2 74 THR HB . . 4.820 3.469 3.295 3.783 . 0 0 "[ . 1 . 2]" 1
1061 2 70 LEU MD1 2 74 THR MG . . 3.980 2.883 2.626 3.029 . 0 0 "[ . 1 . 2]" 1
1062 2 70 LEU MD1 2 75 LEU H . . 4.510 3.981 3.808 4.167 . 0 0 "[ . 1 . 2]" 1
1063 2 70 LEU MD1 2 75 LEU HA . . 4.290 3.227 2.982 3.509 . 0 0 "[ . 1 . 2]" 1
1064 2 70 LEU MD1 2 75 LEU MD2 . . 4.620 2.163 2.045 2.277 . 0 0 "[ . 1 . 2]" 1
1065 2 70 LEU MD1 2 78 LEU MD1 . . 4.560 2.135 1.903 2.403 . 0 0 "[ . 1 . 2]" 1
1066 2 70 LEU MD2 2 71 LYS H . . 3.920 2.877 2.420 3.221 . 0 0 "[ . 1 . 2]" 1
1067 2 70 LEU MD2 2 74 THR HB . . 4.280 2.275 2.055 2.473 . 0 0 "[ . 1 . 2]" 1
1068 2 70 LEU MD2 2 74 THR MG . . 3.950 2.014 1.872 2.216 . 0 0 "[ . 1 . 2]" 1
1069 2 70 LEU MD2 2 75 LEU H . . 3.890 3.934 3.862 3.992 0.102 17 0 "[ . 1 . 2]" 1
1070 2 70 LEU MD2 2 75 LEU HA . . 4.440 4.492 4.339 4.546 0.106 20 0 "[ . 1 . 2]" 1
1071 2 70 LEU MD2 2 75 LEU MD1 . . 5.180 4.685 4.510 4.861 . 0 0 "[ . 1 . 2]" 1
1072 2 70 LEU MD2 2 75 LEU MD2 . . 5.500 3.803 3.660 3.915 . 0 0 "[ . 1 . 2]" 1
1073 2 70 LEU MD2 2 75 LEU HG . . 5.500 3.767 3.592 3.951 . 0 0 "[ . 1 . 2]" 1
1074 2 70 LEU MD2 2 78 LEU MD2 . . 5.500 3.922 3.488 4.337 . 0 0 "[ . 1 . 2]" 1
1075 2 71 LYS H 2 73 THR H . . 5.500 4.913 4.528 5.341 . 0 0 "[ . 1 . 2]" 1
1076 2 71 LYS H 2 74 THR H . . 4.430 3.974 3.690 4.290 . 0 0 "[ . 1 . 2]" 1
1077 2 71 LYS H 2 75 LEU H . . 4.810 4.243 3.976 4.485 . 0 0 "[ . 1 . 2]" 1
1078 2 72 PRO HA 2 75 LEU H . . 4.170 3.631 3.404 4.103 . 0 0 "[ . 1 . 2]" 1
1079 2 72 PRO HA 2 75 LEU HB2 . . 3.960 2.314 2.051 3.094 . 0 0 "[ . 1 . 2]" 1
1080 2 72 PRO HA 2 75 LEU MD1 . . 3.730 2.526 2.115 3.058 . 0 0 "[ . 1 . 2]" 1
1081 2 72 PRO HB2 2 73 THR H . . 3.820 3.180 2.838 3.402 . 0 0 "[ . 1 . 2]" 1
1082 2 72 PRO QD 2 73 THR H . . 4.960 3.212 2.998 3.476 . 0 0 "[ . 1 . 2]" 1
1083 2 72 PRO HG2 2 73 THR H . . 3.360 2.854 2.298 3.121 . 0 0 "[ . 1 . 2]" 1
1084 2 72 PRO HG2 2 73 THR HA . . 5.000 4.778 4.285 5.025 0.025 5 0 "[ . 1 . 2]" 1
1085 2 72 PRO HG2 2 73 THR MG . . 4.230 3.522 2.904 4.322 0.092 3 0 "[ . 1 . 2]" 1
1086 2 73 THR H 2 73 THR MG . . 3.920 2.598 2.202 3.369 . 0 0 "[ . 1 . 2]" 1
1087 2 73 THR H 2 74 THR H . . 4.260 2.639 2.512 2.742 . 0 0 "[ . 1 . 2]" 1
1088 2 73 THR H 2 74 THR HB . . 4.810 4.861 4.826 4.890 0.080 17 0 "[ . 1 . 2]" 1
1089 2 73 THR H 2 75 LEU H . . 4.850 4.041 3.895 4.207 . 0 0 "[ . 1 . 2]" 1
1090 2 73 THR H 2 75 LEU HB2 . . 5.080 4.791 4.567 5.082 0.002 11 0 "[ . 1 . 2]" 1
1091 2 73 THR H 2 76 ARG H . . 5.080 4.629 4.511 4.762 . 0 0 "[ . 1 . 2]" 1
1092 2 73 THR HA 2 73 THR MG . . 3.350 2.238 2.114 2.362 . 0 0 "[ . 1 . 2]" 1
1093 2 73 THR HA 2 75 LEU H . . 5.240 4.859 4.759 5.023 . 0 0 "[ . 1 . 2]" 1
1094 2 73 THR HA 2 76 ARG H . . 4.450 4.061 3.678 4.416 . 0 0 "[ . 1 . 2]" 1
1095 2 73 THR HA 2 76 ARG HB3 . . 5.160 3.529 2.834 3.968 . 0 0 "[ . 1 . 2]" 1
1096 2 73 THR HB 2 74 THR H . . 4.020 3.074 2.227 3.458 . 0 0 "[ . 1 . 2]" 1
1097 2 73 THR MG 2 74 THR H . . 4.060 3.922 3.769 4.086 0.026 10 0 "[ . 1 . 2]" 1
1098 2 74 THR H 2 74 THR HB . . 3.570 2.499 2.414 2.584 . 0 0 "[ . 1 . 2]" 1
1099 2 74 THR H 2 74 THR MG . . 4.000 3.688 3.566 3.735 . 0 0 "[ . 1 . 2]" 1
1100 2 74 THR H 2 75 LEU H . . 3.590 2.522 2.334 2.660 . 0 0 "[ . 1 . 2]" 1
1101 2 74 THR H 2 76 ARG H . . 4.360 4.130 3.879 4.354 . 0 0 "[ . 1 . 2]" 1
1102 2 74 THR HA 2 74 THR MG . . 3.630 2.305 2.218 2.376 . 0 0 "[ . 1 . 2]" 1
1103 2 74 THR HA 2 76 ARG HB3 . . 5.470 5.436 4.959 5.586 0.116 1 0 "[ . 1 . 2]" 1
1104 2 74 THR HA 2 77 GLU H . . 3.500 3.396 3.192 3.533 0.033 20 0 "[ . 1 . 2]" 1
1105 2 74 THR HA 2 77 GLU HB3 . . 4.480 2.893 2.547 3.596 . 0 0 "[ . 1 . 2]" 1
1106 2 74 THR HB 2 75 LEU H . . 3.990 2.369 2.220 2.590 . 0 0 "[ . 1 . 2]" 1
1107 2 74 THR HB 2 75 LEU HB2 . . 5.500 4.716 4.543 4.967 . 0 0 "[ . 1 . 2]" 1
1108 2 74 THR HB 2 76 ARG H . . 5.340 5.019 4.843 5.286 . 0 0 "[ . 1 . 2]" 1
1109 2 74 THR MG 2 75 LEU H . . 3.570 3.505 3.438 3.559 . 0 0 "[ . 1 . 2]" 1
1110 2 74 THR MG 2 75 LEU HG . . 4.400 4.404 4.333 4.438 0.038 19 0 "[ . 1 . 2]" 1
1111 2 74 THR MG 2 76 ARG H . . 5.500 5.191 5.109 5.264 . 0 0 "[ . 1 . 2]" 1
1112 2 74 THR MG 2 77 GLU H . . 4.560 4.564 4.430 4.617 0.057 9 0 "[ . 1 . 2]" 1
1113 2 74 THR MG 2 77 GLU HB2 . . 4.800 4.496 3.548 4.834 0.034 20 0 "[ . 1 . 2]" 1
1114 2 74 THR MG 2 77 GLU HB3 . . 4.390 3.685 3.288 4.079 . 0 0 "[ . 1 . 2]" 1
1115 2 74 THR MG 2 78 LEU H . . 4.360 4.109 3.815 4.382 0.022 11 0 "[ . 1 . 2]" 1
1116 2 74 THR MG 2 78 LEU MD1 . . 3.800 3.103 2.743 3.504 . 0 0 "[ . 1 . 2]" 1
1117 2 74 THR MG 2 78 LEU MD2 . . 3.900 2.329 2.054 2.929 . 0 0 "[ . 1 . 2]" 1
1118 2 75 LEU H 2 75 LEU HB2 . . 2.700 2.432 2.384 2.506 . 0 0 "[ . 1 . 2]" 1
1119 2 75 LEU H 2 75 LEU HB3 . . 3.660 3.587 3.561 3.603 . 0 0 "[ . 1 . 2]" 1
1120 2 75 LEU H 2 75 LEU MD1 . . 4.280 3.537 3.452 3.591 . 0 0 "[ . 1 . 2]" 1
1121 2 75 LEU H 2 75 LEU MD2 . . 4.700 3.562 3.398 3.694 . 0 0 "[ . 1 . 2]" 1
1122 2 75 LEU H 2 75 LEU HG . . 3.410 2.384 2.170 2.526 . 0 0 "[ . 1 . 2]" 1
1123 2 75 LEU H 2 76 ARG H . . 4.030 2.886 2.794 2.959 . 0 0 "[ . 1 . 2]" 1
1124 2 75 LEU HA 2 75 LEU MD2 . . 2.880 2.052 2.002 2.115 . 0 0 "[ . 1 . 2]" 1
1125 2 75 LEU HA 2 78 LEU HB2 . . 4.280 3.493 3.283 3.880 . 0 0 "[ . 1 . 2]" 1
1126 2 75 LEU HA 2 78 LEU MD1 . . 4.060 2.196 2.018 2.419 . 0 0 "[ . 1 . 2]" 1
1127 2 75 LEU HA 2 78 LEU MD2 . . 4.750 3.806 3.596 3.940 . 0 0 "[ . 1 . 2]" 1
1128 2 75 LEU HB2 2 76 ARG H . . 3.390 2.509 2.339 2.663 . 0 0 "[ . 1 . 2]" 1
1129 2 75 LEU HB3 2 78 LEU MD1 . . 5.500 3.847 3.585 4.144 . 0 0 "[ . 1 . 2]" 1
1130 2 75 LEU MD2 2 78 LEU HB2 . . 5.110 4.291 4.002 4.654 . 0 0 "[ . 1 . 2]" 1
1131 2 75 LEU MD2 2 78 LEU MD1 . . 3.830 2.243 1.971 2.584 . 0 0 "[ . 1 . 2]" 1
1132 2 75 LEU HG 2 76 ARG H . . 5.000 4.479 4.353 4.595 . 0 0 "[ . 1 . 2]" 1
1133 2 75 LEU HG 2 78 LEU MD2 . . 5.500 5.531 5.448 5.566 0.066 12 0 "[ . 1 . 2]" 1
1134 2 76 ARG H 2 76 ARG HB2 . . 2.710 2.426 2.230 2.568 . 0 0 "[ . 1 . 2]" 1
1135 2 76 ARG H 2 76 ARG HB3 . . 3.920 2.584 2.410 2.790 . 0 0 "[ . 1 . 2]" 1
1136 2 76 ARG H 2 77 GLU H . . 3.730 2.616 2.519 2.822 . 0 0 "[ . 1 . 2]" 1
1137 2 76 ARG H 2 78 LEU H . . 4.890 4.157 4.030 4.359 . 0 0 "[ . 1 . 2]" 1
1138 2 76 ARG H 2 79 GLU H . . 5.230 4.850 4.649 4.972 . 0 0 "[ . 1 . 2]" 1
1139 2 76 ARG H 2 79 GLU QB . . 5.340 4.871 4.507 5.296 . 0 0 "[ . 1 . 2]" 1
1140 2 76 ARG HA 2 79 GLU H . . 3.710 3.377 3.045 3.720 0.010 20 0 "[ . 1 . 2]" 1
1141 2 76 ARG HA 2 80 ARG H . . 4.310 3.910 3.774 4.116 . 0 0 "[ . 1 . 2]" 1
1142 2 76 ARG HB3 2 77 GLU H . . 2.870 2.767 2.590 2.876 0.006 10 0 "[ . 1 . 2]" 1
1143 2 77 GLU H 2 77 GLU HB2 . . 2.850 2.329 1.784 2.558 . 0 0 "[ . 1 . 2]" 1
1144 2 77 GLU H 2 77 GLU HB3 . . 2.880 2.691 2.563 3.167 0.287 13 0 "[ . 1 . 2]" 1
1145 2 77 GLU H 2 78 LEU H . . 3.500 2.551 2.444 2.674 . 0 0 "[ . 1 . 2]" 1
1146 2 77 GLU H 2 78 LEU MD2 . . 5.000 4.656 4.463 4.957 . 0 0 "[ . 1 . 2]" 1
1147 2 77 GLU H 2 79 GLU H . . 4.490 4.158 4.002 4.362 . 0 0 "[ . 1 . 2]" 1
1148 2 77 GLU HA 2 80 ARG H . . 4.510 3.382 3.164 3.566 . 0 0 "[ . 1 . 2]" 1
1149 2 77 GLU HA 2 80 ARG QB . . 3.390 2.386 2.079 2.846 . 0 0 "[ . 1 . 2]" 1
1150 2 77 GLU HA 2 80 ARG QD . . 4.720 2.651 2.086 4.062 . 0 0 "[ . 1 . 2]" 1
1151 2 77 GLU HB3 2 78 LEU H . . 2.820 2.718 2.535 2.894 0.074 13 0 "[ . 1 . 2]" 1
1152 2 77 GLU HB3 2 78 LEU MD1 . . 5.500 5.278 5.137 5.563 0.063 13 0 "[ . 1 . 2]" 1
1153 2 78 LEU H 2 78 LEU HB2 . . 2.990 2.797 2.696 2.960 . 0 0 "[ . 1 . 2]" 1
1154 2 78 LEU H 2 78 LEU MD2 . . 3.210 2.841 2.722 3.016 . 0 0 "[ . 1 . 2]" 1
1155 2 78 LEU H 2 78 LEU HG . . 2.620 2.044 1.926 2.131 . 0 0 "[ . 1 . 2]" 1
1156 2 78 LEU H 2 79 GLU H . . 3.720 2.684 2.577 2.855 . 0 0 "[ . 1 . 2]" 1
1157 2 78 LEU H 2 80 ARG H . . 4.740 4.049 3.945 4.175 . 0 0 "[ . 1 . 2]" 1
1158 2 78 LEU HA 2 78 LEU MD2 . . 3.480 2.335 2.231 2.418 . 0 0 "[ . 1 . 2]" 1
1159 2 78 LEU HA 2 81 TYR HB2 . . 5.010 4.323 4.053 4.718 . 0 0 "[ . 1 . 2]" 1
1160 2 78 LEU HA 2 81 TYR HB3 . . 4.650 3.129 2.939 3.340 . 0 0 "[ . 1 . 2]" 1
1161 2 78 LEU HA 2 81 TYR HD1 . . 4.340 4.325 4.131 4.389 0.049 1 0 "[ . 1 . 2]" 1
1162 2 78 LEU HA 2 82 VAL H . . 4.430 4.141 3.988 4.292 . 0 0 "[ . 1 . 2]" 1
1163 2 78 LEU HA 2 82 VAL MG1 . . 3.910 3.649 3.532 3.835 . 0 0 "[ . 1 . 2]" 1
1164 2 78 LEU HB2 2 78 LEU MD1 . . 3.130 2.298 2.248 2.328 . 0 0 "[ . 1 . 2]" 1
1165 2 78 LEU HB2 2 79 GLU H . . 2.580 2.173 2.033 2.339 . 0 0 "[ . 1 . 2]" 1
1166 2 78 LEU HB3 2 79 GLU H . . 3.870 3.534 3.379 3.717 . 0 0 "[ . 1 . 2]" 1
1167 2 78 LEU HB3 2 82 VAL MG1 . . 4.370 3.504 3.367 3.744 . 0 0 "[ . 1 . 2]" 1
1168 2 78 LEU MD1 2 79 GLU H . . 4.380 3.986 3.850 4.119 . 0 0 "[ . 1 . 2]" 1
1169 2 78 LEU MD2 2 81 TYR HB3 . . 4.950 4.816 4.559 4.957 0.007 9 0 "[ . 1 . 2]" 1
1170 2 79 GLU H 2 79 GLU HB2 . . 2.950 2.415 2.368 2.459 . 0 0 "[ . 1 . 2]" 1
1171 2 79 GLU H 2 79 GLU HB3 . . 2.950 2.633 2.468 2.794 . 0 0 "[ . 1 . 2]" 1
1172 2 79 GLU H 2 80 ARG H . . 3.810 2.684 2.597 2.756 . 0 0 "[ . 1 . 2]" 1
1173 2 79 GLU H 2 80 ARG HA . . 5.340 5.315 5.238 5.359 0.019 10 0 "[ . 1 . 2]" 1
1174 2 79 GLU H 2 82 VAL H . . 5.500 4.789 4.684 4.848 . 0 0 "[ . 1 . 2]" 1
1175 2 79 GLU H 2 82 VAL MG1 . . 4.560 4.530 4.430 4.583 0.023 14 0 "[ . 1 . 2]" 1
1176 2 79 GLU HA 2 79 GLU HG2 . . 3.790 2.843 2.591 3.120 . 0 0 "[ . 1 . 2]" 1
1177 2 79 GLU HA 2 79 GLU QG . . 2.950 2.404 2.338 2.468 . 0 0 "[ . 1 . 2]" 1
1178 2 79 GLU HA 2 79 GLU HG3 . . 3.790 2.612 2.493 3.028 . 0 0 "[ . 1 . 2]" 1
1179 2 79 GLU HA 2 81 TYR H . . 5.500 4.140 4.076 4.225 . 0 0 "[ . 1 . 2]" 1
1180 2 79 GLU HA 2 82 VAL H . . 4.380 3.590 3.461 3.693 . 0 0 "[ . 1 . 2]" 1
1181 2 79 GLU HA 2 82 VAL MG1 . . 4.110 3.372 3.286 3.465 . 0 0 "[ . 1 . 2]" 1
1182 2 79 GLU HA 2 82 VAL MG2 . . 3.450 1.866 1.795 1.951 . 0 0 "[ . 1 . 2]" 1
1183 2 79 GLU HA 2 83 LYS HB3 . . 4.820 4.483 4.199 4.590 . 0 0 "[ . 1 . 2]" 1
1184 2 79 GLU QB 2 80 ARG H . . 3.810 2.414 2.192 2.536 . 0 0 "[ . 1 . 2]" 1
1185 2 79 GLU QB 2 81 TYR H . . 5.340 4.515 4.391 4.583 . 0 0 "[ . 1 . 2]" 1
1186 2 79 GLU QG 2 80 ARG H . . 4.510 3.696 3.455 3.862 . 0 0 "[ . 1 . 2]" 1
1187 2 79 GLU QG 2 82 VAL H . . 5.340 5.002 4.860 5.064 . 0 0 "[ . 1 . 2]" 1
1188 2 79 GLU QG 2 82 VAL MG2 . . 2.950 2.985 2.805 3.079 0.129 7 0 "[ . 1 . 2]" 1
1189 2 79 GLU QG 2 83 LYS QE . . 4.450 2.328 1.889 4.290 . 0 0 "[ . 1 . 2]" 1
1190 2 80 ARG H 2 80 ARG QB . . 2.560 2.255 2.000 2.554 . 0 0 "[ . 1 . 2]" 1
1191 2 80 ARG H 2 80 ARG HD2 . . 5.500 4.509 4.039 5.616 0.116 16 0 "[ . 1 . 2]" 1
1192 2 80 ARG H 2 80 ARG QD . . 4.640 3.944 3.216 4.395 . 0 0 "[ . 1 . 2]" 1
1193 2 80 ARG H 2 80 ARG HD3 . . 5.500 4.508 3.292 5.658 0.158 14 0 "[ . 1 . 2]" 1
1194 2 80 ARG H 2 80 ARG QG . . 4.680 3.214 2.119 3.938 . 0 0 "[ . 1 . 2]" 1
1195 2 80 ARG H 2 81 TYR HA . . 5.440 5.222 5.163 5.275 . 0 0 "[ . 1 . 2]" 1
1196 2 80 ARG H 2 81 TYR HB2 . . 5.500 5.235 5.081 5.468 . 0 0 "[ . 1 . 2]" 1
1197 2 80 ARG H 2 81 TYR HB3 . . 5.150 4.805 4.606 4.888 . 0 0 "[ . 1 . 2]" 1
1198 2 80 ARG H 2 82 VAL H . . 4.640 4.343 4.148 4.400 . 0 0 "[ . 1 . 2]" 1
1199 2 80 ARG H 2 82 VAL MG1 . . 5.150 5.171 5.076 5.199 0.049 19 0 "[ . 1 . 2]" 1
1200 2 80 ARG H 2 82 VAL MG2 . . 4.190 4.195 4.062 4.240 0.050 6 0 "[ . 1 . 2]" 1
1201 2 80 ARG H 2 83 LYS QE . . 5.300 3.609 3.393 4.342 . 0 0 "[ . 1 . 2]" 1
1202 2 80 ARG HA 2 80 ARG HD2 . . 5.020 4.556 4.282 4.914 . 0 0 "[ . 1 . 2]" 1
1203 2 80 ARG HA 2 80 ARG QD . . 4.310 4.045 3.824 4.245 . 0 0 "[ . 1 . 2]" 1
1204 2 80 ARG HA 2 80 ARG HD3 . . 5.020 4.570 4.034 4.874 . 0 0 "[ . 1 . 2]" 1
1205 2 80 ARG HA 2 80 ARG HG2 . . 4.110 2.923 2.344 3.360 . 0 0 "[ . 1 . 2]" 1
1206 2 80 ARG HA 2 80 ARG QG . . 3.610 2.470 2.257 2.556 . 0 0 "[ . 1 . 2]" 1
1207 2 80 ARG HA 2 80 ARG HG3 . . 4.110 2.757 2.500 3.095 . 0 0 "[ . 1 . 2]" 1
1208 2 80 ARG HA 2 82 VAL H . . 5.010 4.867 4.629 4.951 . 0 0 "[ . 1 . 2]" 1
1209 2 80 ARG HA 2 83 LYS H . . 3.960 3.887 3.615 3.984 0.024 2 0 "[ . 1 . 2]" 1
1210 2 80 ARG HA 2 83 LYS HB2 . . 4.830 4.861 4.716 4.929 0.099 17 0 "[ . 1 . 2]" 1
1211 2 80 ARG HA 2 83 LYS HB3 . . 4.410 4.012 3.755 4.254 . 0 0 "[ . 1 . 2]" 1
1212 2 80 ARG HA 2 83 LYS QD . . 4.210 2.578 2.348 3.125 . 0 0 "[ . 1 . 2]" 1
1213 2 80 ARG QB 2 80 ARG QD . . 3.290 2.126 1.985 2.371 . 0 0 "[ . 1 . 2]" 1
1214 2 80 ARG QB 2 81 TYR H . . 3.420 2.712 2.503 3.007 . 0 0 "[ . 1 . 2]" 1
1215 2 80 ARG HB2 2 81 TYR H . . 4.160 3.409 2.714 4.024 . 0 0 "[ . 1 . 2]" 1
1216 2 80 ARG HB3 2 81 TYR H . . 4.160 3.168 2.563 3.824 . 0 0 "[ . 1 . 2]" 1
1217 2 80 ARG QD 2 80 ARG QG . . 2.340 2.052 1.977 2.097 . 0 0 "[ . 1 . 2]" 1
1218 2 80 ARG QD 2 81 TYR H . . 5.340 4.771 4.477 5.374 0.034 16 0 "[ . 1 . 2]" 1
1219 2 80 ARG QG 2 81 TYR H . . 5.280 4.014 3.599 4.340 . 0 0 "[ . 1 . 2]" 1
1220 2 80 ARG QG 2 83 LYS QE . . 5.180 3.451 2.414 4.216 . 0 0 "[ . 1 . 2]" 1
1221 2 81 TYR H 2 81 TYR HB2 . . 3.510 2.846 2.737 2.990 . 0 0 "[ . 1 . 2]" 1
1222 2 81 TYR H 2 81 TYR HB3 . . 3.460 2.408 2.320 2.443 . 0 0 "[ . 1 . 2]" 1
1223 2 81 TYR H 2 81 TYR HD1 . . 4.460 4.443 4.353 4.486 0.026 16 0 "[ . 1 . 2]" 1
1224 2 81 TYR H 2 82 VAL H . . 3.590 2.495 2.449 2.542 . 0 0 "[ . 1 . 2]" 1
1225 2 81 TYR H 2 82 VAL HA . . 5.500 5.068 5.016 5.119 . 0 0 "[ . 1 . 2]" 1
1226 2 81 TYR H 2 82 VAL MG1 . . 4.200 3.982 3.925 4.054 . 0 0 "[ . 1 . 2]" 1
1227 2 81 TYR H 2 82 VAL MG2 . . 3.780 3.775 3.715 3.808 0.028 11 0 "[ . 1 . 2]" 1
1228 2 81 TYR H 2 83 LYS HB3 . . 5.500 5.577 5.559 5.602 0.102 20 0 "[ . 1 . 2]" 1
1229 2 81 TYR HA 2 82 VAL HA . . 5.090 4.707 4.664 4.737 . 0 0 "[ . 1 . 2]" 1
1230 2 81 TYR HA 2 84 SER H . . 3.530 3.370 3.266 3.454 . 0 0 "[ . 1 . 2]" 1
1231 2 81 TYR HA 2 84 SER QB . . 4.450 2.882 2.500 3.897 . 0 0 "[ . 1 . 2]" 1
1232 2 81 TYR HB2 2 82 VAL H . . 4.280 3.896 3.808 4.069 . 0 0 "[ . 1 . 2]" 1
1233 2 81 TYR HB2 2 84 SER H . . 5.500 5.562 5.524 5.599 0.099 17 0 "[ . 1 . 2]" 1
1234 2 81 TYR HB3 2 82 VAL H . . 3.870 2.541 2.443 2.743 . 0 0 "[ . 1 . 2]" 1
1235 2 81 TYR HB3 2 82 VAL MG1 . . 4.100 3.345 3.228 3.476 . 0 0 "[ . 1 . 2]" 1
1236 2 81 TYR HB3 2 84 SER H . . 5.500 5.476 5.413 5.526 0.026 13 0 "[ . 1 . 2]" 1
1237 2 81 TYR HD1 2 82 VAL H . . 4.220 3.115 3.015 3.233 . 0 0 "[ . 1 . 2]" 1
1238 2 81 TYR HD1 2 82 VAL MG1 . . 4.610 2.708 2.570 2.840 . 0 0 "[ . 1 . 2]" 1
1239 2 81 TYR HE1 2 82 VAL H . . 5.190 5.242 5.211 5.273 0.083 13 0 "[ . 1 . 2]" 1
1240 2 81 TYR HE1 2 82 VAL MG1 . . 3.870 3.843 3.614 3.911 0.041 12 0 "[ . 1 . 2]" 1
1241 2 82 VAL H 2 82 VAL HB . . 3.690 3.656 3.639 3.678 . 0 0 "[ . 1 . 2]" 1
1242 2 82 VAL H 2 82 VAL MG1 . . 3.370 2.084 2.038 2.179 . 0 0 "[ . 1 . 2]" 1
1243 2 82 VAL H 2 82 VAL MG2 . . 3.510 2.295 2.177 2.363 . 0 0 "[ . 1 . 2]" 1
1244 2 82 VAL H 2 83 LYS H . . 3.850 2.776 2.703 2.815 . 0 0 "[ . 1 . 2]" 1
1245 2 82 VAL H 2 83 LYS HA . . 5.500 5.321 5.267 5.370 . 0 0 "[ . 1 . 2]" 1
1246 2 82 VAL H 2 83 LYS HB3 . . 5.260 4.999 4.858 5.071 . 0 0 "[ . 1 . 2]" 1
1247 2 82 VAL H 2 83 LYS HG2 . . 4.460 4.438 4.338 4.481 0.021 20 0 "[ . 1 . 2]" 1
1248 2 82 VAL H 2 84 SER H . . 4.150 4.151 4.080 4.211 0.061 8 0 "[ . 1 . 2]" 1
1249 2 82 VAL H 2 85 CYS H . . 5.370 4.786 4.565 5.022 . 0 0 "[ . 1 . 2]" 1
1250 2 82 VAL H 2 86 LEU QD . . 5.390 5.375 5.199 5.458 0.068 20 0 "[ . 1 . 2]" 1
1251 2 82 VAL HA 2 82 VAL HB . . 2.710 2.429 2.413 2.453 . 0 0 "[ . 1 . 2]" 1
1252 2 82 VAL HA 2 82 VAL MG1 . . 3.630 2.429 2.404 2.457 . 0 0 "[ . 1 . 2]" 1
1253 2 82 VAL HA 2 82 VAL MG2 . . 3.370 3.234 3.217 3.263 . 0 0 "[ . 1 . 2]" 1
1254 2 82 VAL HA 2 84 SER H . . 4.750 4.224 3.979 4.347 . 0 0 "[ . 1 . 2]" 1
1255 2 82 VAL HA 2 85 CYS H . . 4.140 3.339 3.158 3.482 . 0 0 "[ . 1 . 2]" 1
1256 2 82 VAL HA 2 85 CYS HB2 . . 4.600 3.495 2.520 3.972 . 0 0 "[ . 1 . 2]" 1
1257 2 82 VAL HA 2 85 CYS HB3 . . 4.480 2.944 2.425 4.193 . 0 0 "[ . 1 . 2]" 1
1258 2 82 VAL HA 2 86 LEU H . . 4.430 4.009 3.635 4.364 . 0 0 "[ . 1 . 2]" 1
1259 2 82 VAL HA 2 86 LEU QD . . 5.050 3.866 3.206 4.339 . 0 0 "[ . 1 . 2]" 1
1260 2 82 VAL HB 2 83 LYS H . . 3.860 3.873 3.813 3.916 0.056 18 0 "[ . 1 . 2]" 1
1261 2 82 VAL HB 2 86 LEU QD . . 4.690 2.951 2.702 3.386 . 0 0 "[ . 1 . 2]" 1
1262 2 82 VAL MG1 2 83 LYS H . . 4.050 3.904 3.864 3.962 . 0 0 "[ . 1 . 2]" 1
1263 2 82 VAL MG1 2 84 SER H . . 5.470 5.367 5.228 5.466 . 0 0 "[ . 1 . 2]" 1
1264 2 82 VAL MG1 2 85 CYS H . . 5.340 5.199 5.014 5.310 . 0 0 "[ . 1 . 2]" 1
1265 2 82 VAL MG1 2 86 LEU QD . . 4.780 4.028 3.812 4.306 . 0 0 "[ . 1 . 2]" 1
1266 2 82 VAL MG2 2 83 LYS H . . 3.780 2.210 2.135 2.266 . 0 0 "[ . 1 . 2]" 1
1267 2 82 VAL MG2 2 85 CYS H . . 5.200 4.963 4.859 5.088 . 0 0 "[ . 1 . 2]" 1
1268 2 82 VAL MG2 2 86 LEU H . . 4.930 4.914 4.804 4.991 0.061 20 0 "[ . 1 . 2]" 1
1269 2 82 VAL MG2 2 86 LEU QD . . 4.050 3.168 2.949 3.587 . 0 0 "[ . 1 . 2]" 1
1270 2 83 LYS H 2 83 LYS HB2 . . 3.690 3.605 3.549 3.652 . 0 0 "[ . 1 . 2]" 1
1271 2 83 LYS H 2 83 LYS HB3 . . 3.250 2.379 2.324 2.457 . 0 0 "[ . 1 . 2]" 1
1272 2 83 LYS H 2 83 LYS QE . . 4.560 3.747 3.482 4.618 0.058 18 0 "[ . 1 . 2]" 1
1273 2 83 LYS H 2 83 LYS HG2 . . 3.900 2.399 2.317 2.481 . 0 0 "[ . 1 . 2]" 1
1274 2 83 LYS H 2 83 LYS HG3 . . 3.520 3.539 3.500 3.573 0.053 18 0 "[ . 1 . 2]" 1
1275 2 83 LYS H 2 84 SER H . . 3.590 2.633 2.603 2.694 . 0 0 "[ . 1 . 2]" 1
1276 2 83 LYS H 2 85 CYS H . . 4.290 4.055 3.898 4.205 . 0 0 "[ . 1 . 2]" 1
1277 2 83 LYS HA 2 83 LYS HB2 . . 2.550 2.424 2.391 2.454 . 0 0 "[ . 1 . 2]" 1
1278 2 83 LYS HA 2 83 LYS HG2 . . 4.040 3.833 3.791 3.861 . 0 0 "[ . 1 . 2]" 1
1279 2 83 LYS HA 2 83 LYS HG3 . . 4.040 3.749 3.688 3.818 . 0 0 "[ . 1 . 2]" 1
1280 2 83 LYS HA 2 84 SER H . . 3.520 3.516 3.471 3.550 0.030 8 0 "[ . 1 . 2]" 1
1281 2 83 LYS HA 2 85 CYS H . . 4.540 4.179 3.898 4.543 0.003 11 0 "[ . 1 . 2]" 1
1282 2 83 LYS HA 2 86 LEU H . . 3.990 3.327 3.058 3.663 . 0 0 "[ . 1 . 2]" 1
1283 2 83 LYS HA 2 86 LEU HB3 . . 4.310 4.148 3.051 4.341 0.031 9 0 "[ . 1 . 2]" 1
1284 2 83 LYS HA 2 86 LEU MD1 . . 5.280 3.532 2.025 5.310 0.030 5 0 "[ . 1 . 2]" 1
1285 2 83 LYS HA 2 86 LEU QD . . 3.970 3.007 2.021 3.789 . 0 0 "[ . 1 . 2]" 1
1286 2 83 LYS HA 2 86 LEU MD2 . . 5.280 4.482 2.627 5.310 0.030 15 0 "[ . 1 . 2]" 1
1287 2 83 LYS HA 2 86 LEU HG . . 4.740 4.103 2.643 4.745 0.005 13 0 "[ . 1 . 2]" 1
1288 2 83 LYS HB2 2 83 LYS QD . . 3.510 2.394 2.209 2.467 . 0 0 "[ . 1 . 2]" 1
1289 2 83 LYS HB2 2 84 SER H . . 4.080 4.058 3.960 4.127 0.047 16 0 "[ . 1 . 2]" 1
1290 2 83 LYS HB3 2 83 LYS QE . . 4.980 2.453 1.931 3.966 . 0 0 "[ . 1 . 2]" 1
1291 2 83 LYS HB3 2 84 SER H . . 4.070 3.914 3.797 4.031 . 0 0 "[ . 1 . 2]" 1
1292 2 83 LYS QD 2 84 SER H . . 4.550 4.366 4.133 4.614 0.064 17 0 "[ . 1 . 2]" 1
1293 2 83 LYS QE 2 83 LYS HG2 . . 2.680 2.417 2.360 2.550 . 0 0 "[ . 1 . 2]" 1
1294 2 83 LYS QE 2 83 LYS HG3 . . 3.410 3.235 2.463 3.452 0.042 20 0 "[ . 1 . 2]" 1
1295 2 83 LYS QE 2 84 SER H . . 5.340 4.736 4.620 5.042 . 0 0 "[ . 1 . 2]" 1
1296 2 83 LYS HG2 2 84 SER H . . 4.260 2.699 2.563 2.858 . 0 0 "[ . 1 . 2]" 1
1297 2 83 LYS HG3 2 84 SER H . . 3.600 2.704 2.426 3.048 . 0 0 "[ . 1 . 2]" 1
1298 2 84 SER H 2 84 SER QB . . 3.100 2.443 2.200 2.822 . 0 0 "[ . 1 . 2]" 1
1299 2 84 SER H 2 85 CYS H . . 2.900 2.524 2.263 2.600 . 0 0 "[ . 1 . 2]" 1
1300 2 84 SER H 2 85 CYS HA . . 5.500 5.147 4.917 5.218 . 0 0 "[ . 1 . 2]" 1
1301 2 84 SER H 2 85 CYS HB2 . . 4.860 4.771 4.199 4.903 0.043 1 0 "[ . 1 . 2]" 1
1302 2 84 SER H 2 85 CYS HB3 . . 5.500 4.931 4.711 5.680 0.180 16 0 "[ . 1 . 2]" 1
1303 2 84 SER HA 2 87 GLN HB2 . . 5.150 3.445 2.330 5.233 0.083 9 0 "[ . 1 . 2]" 1
1304 2 84 SER HA 2 87 GLN QG . . 4.300 3.569 2.128 4.334 0.034 2 0 "[ . 1 . 2]" 1
1305 2 84 SER QB 2 85 CYS H . . 3.840 2.855 2.350 3.565 . 0 0 "[ . 1 . 2]" 1
1306 2 85 CYS H 2 85 CYS HB2 . . 3.810 2.501 2.230 2.643 . 0 0 "[ . 1 . 2]" 1
1307 2 85 CYS H 2 85 CYS HB3 . . 3.660 2.615 2.419 3.485 . 0 0 "[ . 1 . 2]" 1
1308 2 85 CYS H 2 86 LEU H . . 3.060 2.424 2.333 2.551 . 0 0 "[ . 1 . 2]" 1
1309 2 85 CYS H 2 86 LEU HB2 . . 4.470 4.459 3.959 4.506 0.036 11 0 "[ . 1 . 2]" 1
1310 2 85 CYS H 2 87 GLN H . . 4.180 3.856 3.509 4.200 0.020 13 0 "[ . 1 . 2]" 1
1311 2 85 CYS HB2 2 86 LEU H . . 3.980 3.795 2.628 4.022 0.042 13 0 "[ . 1 . 2]" 1
1312 2 85 CYS HB3 2 86 LEU H . . 3.990 2.859 2.446 3.887 . 0 0 "[ . 1 . 2]" 1
1313 2 85 CYS HB3 2 86 LEU QD . . 4.720 3.689 2.544 4.548 . 0 0 "[ . 1 . 2]" 1
1314 2 86 LEU H 2 86 LEU HB2 . . 2.510 2.293 1.963 2.448 . 0 0 "[ . 1 . 2]" 1
1315 2 86 LEU H 2 86 LEU HB3 . . 3.970 3.522 2.834 3.598 . 0 0 "[ . 1 . 2]" 1
1316 2 86 LEU H 2 86 LEU QD . . 3.470 3.022 2.276 3.321 . 0 0 "[ . 1 . 2]" 1
1317 2 86 LEU H 2 86 LEU HG . . 4.190 3.065 2.316 4.315 0.125 13 0 "[ . 1 . 2]" 1
1318 2 86 LEU H 2 87 GLN H . . 3.550 2.548 2.339 2.722 . 0 0 "[ . 1 . 2]" 1
1319 2 86 LEU H 2 88 LYS H . . 5.500 4.421 3.904 5.186 . 0 0 "[ . 1 . 2]" 1
1320 2 86 LEU HA 2 86 LEU QD . . 3.040 2.015 1.858 2.132 . 0 0 "[ . 1 . 2]" 1
1321 2 87 GLN H 2 87 GLN HB2 . . 2.990 2.433 2.077 3.080 0.090 14 0 "[ . 1 . 2]" 1
1322 2 87 GLN H 2 87 GLN QG . . 3.830 2.913 2.220 3.910 0.080 3 0 "[ . 1 . 2]" 1
1323 2 87 GLN H 2 88 LYS H . . 3.330 2.715 2.321 3.397 0.067 8 0 "[ . 1 . 2]" 1
1324 2 87 GLN HA 2 87 GLN HB2 . . 2.850 2.844 2.468 2.970 0.120 16 0 "[ . 1 . 2]" 1
1325 2 87 GLN HA 2 87 GLN QG . . 2.640 2.481 2.161 2.728 0.088 19 0 "[ . 1 . 2]" 1
1326 2 87 GLN HB2 2 87 GLN QG . . 2.420 2.258 2.108 2.416 . 0 0 "[ . 1 . 2]" 1
1327 2 88 LYS H 2 88 LYS QB . . 3.680 2.726 2.216 3.391 . 0 0 "[ . 1 . 2]" 1
1328 2 88 LYS HA 2 88 LYS QB . . 2.520 2.380 2.315 2.445 . 0 0 "[ . 1 . 2]" 1
1329 2 88 LYS HA 2 88 LYS QG . . 3.200 2.631 2.382 3.111 . 0 0 "[ . 1 . 2]" 1
1330 2 88 LYS QB 2 89 LYS H . . 4.130 3.227 1.780 4.053 . 0 0 "[ . 1 . 2]" 1
1331 2 90 GLN HA 2 90 GLN QB . . 2.420 2.302 2.126 2.465 0.045 7 0 "[ . 1 . 2]" 1
1332 2 90 GLN HA 2 90 GLN QG . . 3.650 2.964 2.284 3.410 . 0 0 "[ . 1 . 2]" 1
1333 2 90 GLN HE21 2 90 GLN QG . . 2.560 2.231 2.116 2.663 0.103 12 0 "[ . 1 . 2]" 1
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