NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633715 |
5ovm   |
34175 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ovm
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 905
_Distance_constraint_stats_list.Viol_count 1562
_Distance_constraint_stats_list.Viol_total 1691.471
_Distance_constraint_stats_list.Viol_max 0.849
_Distance_constraint_stats_list.Viol_rms 0.0232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0541
_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 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 1.728 0.172 10 0 "[ . 1 . 2]"
1 10 PRO 0.324 0.091 19 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.065 0.039 17 0 "[ . 1 . 2]"
1 13 PHE 1.057 0.127 5 0 "[ . 1 . 2]"
1 14 ARG 1.910 0.284 8 0 "[ . 1 . 2]"
1 18 VAL 0.287 0.045 16 0 "[ . 1 . 2]"
1 19 ASP 0.050 0.028 16 0 "[ . 1 . 2]"
1 20 GLY 0.050 0.028 16 0 "[ . 1 . 2]"
1 22 PHE 0.291 0.078 10 0 "[ . 1 . 2]"
1 23 SER 2.554 0.738 16 1 "[ . 1 .+ 2]"
1 24 VAL 1.981 0.165 12 0 "[ . 1 . 2]"
1 25 ASP 0.678 0.181 8 0 "[ . 1 . 2]"
1 26 ALA 0.403 0.077 6 0 "[ . 1 . 2]"
1 27 SER 0.237 0.048 7 0 "[ . 1 . 2]"
1 28 GLY 0.869 0.153 6 0 "[ . 1 . 2]"
1 29 ASN 4.736 0.311 19 0 "[ . 1 . 2]"
1 30 LEU 2.734 0.110 4 0 "[ . 1 . 2]"
1 31 LEU 3.732 0.738 16 1 "[ . 1 .+ 2]"
1 32 ILE 0.568 0.057 13 0 "[ . 1 . 2]"
1 33 THR 0.023 0.023 11 0 "[ . 1 . 2]"
1 34 ARG 0.810 0.157 20 0 "[ . 1 . 2]"
1 36 ILE 1.922 0.449 11 0 "[ . 1 . 2]"
1 37 ARG 1.334 0.319 16 0 "[ . 1 . 2]"
1 38 ASN 3.111 0.639 11 1 "[ . 1+ . 2]"
1 39 LEU 1.950 0.639 11 1 "[ . 1+ . 2]"
1 40 PHE 3.252 0.118 2 0 "[ . 1 . 2]"
1 41 ASP 1.505 0.125 6 0 "[ . 1 . 2]"
1 42 TYR 1.352 0.126 2 0 "[ . 1 . 2]"
1 43 PHE 1.118 0.120 20 0 "[ . 1 . 2]"
1 44 LEU 2.884 0.492 18 0 "[ . 1 . 2]"
1 45 SER 0.574 0.122 5 0 "[ . 1 . 2]"
1 46 ALA 1.051 0.492 18 0 "[ . 1 . 2]"
1 47 VAL 0.744 0.124 18 0 "[ . 1 . 2]"
1 48 GLY 0.031 0.031 3 0 "[ . 1 . 2]"
1 49 GLU 0.442 0.124 18 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 0.097 0.058 13 0 "[ . 1 . 2]"
1 52 LEU 1.902 0.377 19 0 "[ . 1 . 2]"
1 53 GLN 3.870 0.150 12 0 "[ . 1 . 2]"
1 54 GLN 4.530 0.185 13 0 "[ . 1 . 2]"
1 55 SER 2.090 0.157 12 0 "[ . 1 . 2]"
1 56 LEU 3.352 0.349 7 0 "[ . 1 . 2]"
1 57 ASP 4.130 0.215 7 0 "[ . 1 . 2]"
1 58 ARG 2.194 0.185 13 0 "[ . 1 . 2]"
1 59 LEU 1.159 0.302 11 0 "[ . 1 . 2]"
1 60 ARG 2.058 0.349 7 0 "[ . 1 . 2]"
1 61 ALA 0.284 0.072 10 0 "[ . 1 . 2]"
1 62 TYR 0.832 0.186 17 0 "[ . 1 . 2]"
1 63 ILE 4.610 0.218 10 0 "[ . 1 . 2]"
1 64 ALA 1.540 0.093 14 0 "[ . 1 . 2]"
1 65 ALA 2.755 0.200 1 0 "[ . 1 . 2]"
1 66 GLU 3.265 0.233 8 0 "[ . 1 . 2]"
1 67 LEU 1.556 0.161 13 0 "[ . 1 . 2]"
1 68 GLN 3.963 0.243 17 0 "[ . 1 . 2]"
1 69 GLU 2.244 0.243 17 0 "[ . 1 . 2]"
1 70 PRO 1.133 0.088 5 0 "[ . 1 . 2]"
1 71 ALA 1.473 0.110 4 0 "[ . 1 . 2]"
1 72 ARG 1.573 0.088 5 0 "[ . 1 . 2]"
1 73 GLY 1.473 0.228 7 0 "[ . 1 . 2]"
1 74 GLN 4.247 0.154 4 0 "[ . 1 . 2]"
1 75 ALA 1.635 0.128 9 0 "[ . 1 . 2]"
1 76 LEU 3.313 0.228 7 0 "[ . 1 . 2]"
1 77 ALA 1.663 0.242 7 0 "[ . 1 . 2]"
1 78 LEU 1.626 0.242 7 0 "[ . 1 . 2]"
1 79 MET 0.619 0.111 19 0 "[ . 1 . 2]"
1 80 GLN 3.582 0.210 20 0 "[ . 1 . 2]"
1 81 GLN 5.510 0.849 3 1 "[ + . 1 . 2]"
1 82 TYR 2.069 0.134 15 0 "[ . 1 . 2]"
1 83 ILE 3.253 0.191 15 0 "[ . 1 . 2]"
1 84 ASP 2.386 0.183 2 0 "[ . 1 . 2]"
1 85 TYR 0.858 0.201 12 0 "[ . 1 . 2]"
1 86 LYS 1.497 0.181 16 0 "[ . 1 . 2]"
1 87 LYS 2.783 0.122 14 0 "[ . 1 . 2]"
1 88 GLU 1.555 0.148 5 0 "[ . 1 . 2]"
1 89 LEU 3.409 0.849 3 1 "[ + . 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 8 HIS H 1 9 LEU H . . 5.500 3.860 2.068 4.637 . 0 0 "[ . 1 . 2]" 1
2 1 8 HIS QB 1 9 LEU H . . 4.530 3.395 2.457 4.007 . 0 0 "[ . 1 . 2]" 1
3 1 9 LEU H 1 9 LEU HB2 . . 3.780 2.588 2.270 3.756 . 0 0 "[ . 1 . 2]" 1
4 1 9 LEU H 1 9 LEU HB3 . . 3.780 3.548 2.503 3.820 0.040 14 0 "[ . 1 . 2]" 1
5 1 9 LEU H 1 9 LEU MD1 . . 4.300 2.933 2.119 4.320 0.020 14 0 "[ . 1 . 2]" 1
6 1 9 LEU H 1 9 LEU QD . . 3.690 2.584 1.899 3.839 0.149 14 0 "[ . 1 . 2]" 1
7 1 9 LEU H 1 9 LEU MD2 . . 4.300 3.883 1.903 4.379 0.079 19 0 "[ . 1 . 2]" 1
8 1 9 LEU H 1 9 LEU HG . . 4.150 3.795 3.458 4.224 0.074 11 0 "[ . 1 . 2]" 1
9 1 9 LEU H 1 14 ARG QD . . 5.390 4.273 2.160 5.445 0.055 17 0 "[ . 1 . 2]" 1
10 1 9 LEU H 1 14 ARG QG . . 5.500 5.021 3.339 5.672 0.172 10 0 "[ . 1 . 2]" 1
11 1 9 LEU HA 1 9 LEU MD1 . . 4.080 3.224 2.125 4.089 0.009 13 0 "[ . 1 . 2]" 1
12 1 9 LEU HA 1 9 LEU QD . . 3.370 2.792 2.078 3.432 0.062 15 0 "[ . 1 . 2]" 1
13 1 9 LEU HA 1 9 LEU MD2 . . 4.080 3.424 2.147 3.776 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU HA 1 9 LEU HG . . 3.840 2.694 2.303 3.764 . 0 0 "[ . 1 . 2]" 1
15 1 9 LEU HA 1 10 PRO HD2 . . 3.230 2.388 2.169 2.612 . 0 0 "[ . 1 . 2]" 1
16 1 9 LEU HA 1 10 PRO HD3 . . 3.230 2.415 2.189 2.575 . 0 0 "[ . 1 . 2]" 1
17 1 9 LEU QB 1 9 LEU QD . . 2.580 1.949 1.912 2.095 . 0 0 "[ . 1 . 2]" 1
18 1 9 LEU QB 1 9 LEU HG . . 2.620 2.412 2.118 2.515 . 0 0 "[ . 1 . 2]" 1
19 1 9 LEU QB 1 10 PRO QD . . 3.970 2.476 2.233 2.893 . 0 0 "[ . 1 . 2]" 1
20 1 9 LEU QD 1 10 PRO QD . . 3.710 3.230 2.324 3.801 0.091 19 0 "[ . 1 . 2]" 1
21 1 9 LEU HG 1 10 PRO HD2 . . 5.100 3.597 2.841 4.692 . 0 0 "[ . 1 . 2]" 1
22 1 9 LEU HG 1 10 PRO HD3 . . 5.100 4.505 3.791 5.181 0.081 11 0 "[ . 1 . 2]" 1
23 1 10 PRO QB 1 46 ALA MB . . 5.280 4.190 2.588 5.312 0.032 12 0 "[ . 1 . 2]" 1
24 1 10 PRO QG 1 46 ALA MB . . 4.730 4.064 2.215 4.667 . 0 0 "[ . 1 . 2]" 1
25 1 11 THR HA 1 11 THR MG . . 3.400 2.672 2.255 3.289 . 0 0 "[ . 1 . 2]" 1
26 1 12 SER QB 1 13 PHE H . . 3.890 3.061 2.149 3.929 0.039 17 0 "[ . 1 . 2]" 1
27 1 13 PHE H 1 13 PHE QB . . 3.630 2.590 2.205 3.443 . 0 0 "[ . 1 . 2]" 1
28 1 13 PHE H 1 13 PHE QD . . 4.290 2.968 2.214 3.651 . 0 0 "[ . 1 . 2]" 1
29 1 13 PHE H 1 13 PHE QE . . 5.130 4.616 4.209 5.196 0.066 10 0 "[ . 1 . 2]" 1
30 1 13 PHE HA 1 13 PHE QD . . 3.830 2.498 2.149 3.000 . 0 0 "[ . 1 . 2]" 1
31 1 13 PHE HA 1 13 PHE QE . . 4.430 4.476 4.429 4.557 0.127 5 0 "[ . 1 . 2]" 1
32 1 14 ARG HA 1 14 ARG QD . . 3.570 3.026 2.079 3.854 0.284 8 0 "[ . 1 . 2]" 1
33 1 14 ARG HA 1 14 ARG QG . . 3.520 2.629 2.221 3.104 . 0 0 "[ . 1 . 2]" 1
34 1 14 ARG QB 1 14 ARG QD . . 3.360 2.380 2.024 2.770 . 0 0 "[ . 1 . 2]" 1
35 1 18 VAL H 1 18 VAL MG1 . . 4.130 3.176 2.051 4.063 . 0 0 "[ . 1 . 2]" 1
36 1 18 VAL H 1 18 VAL QG . . 3.250 2.450 1.924 3.135 . 0 0 "[ . 1 . 2]" 1
37 1 18 VAL H 1 18 VAL MG2 . . 4.130 2.964 2.010 4.090 . 0 0 "[ . 1 . 2]" 1
38 1 18 VAL HA 1 18 VAL QG . . 3.140 2.225 2.116 2.368 . 0 0 "[ . 1 . 2]" 1
39 1 18 VAL QG 1 42 TYR H . . 5.440 4.625 4.018 4.984 . 0 0 "[ . 1 . 2]" 1
40 1 18 VAL MG1 1 42 TYR QE . . 4.560 4.007 2.683 4.605 0.045 16 0 "[ . 1 . 2]" 1
41 1 18 VAL MG2 1 42 TYR QE . . 4.560 3.974 2.761 4.596 0.036 3 0 "[ . 1 . 2]" 1
42 1 19 ASP QB 1 20 GLY H . . 4.030 3.247 2.291 4.058 0.028 16 0 "[ . 1 . 2]" 1
43 1 19 ASP HB2 1 20 GLY H . . 4.730 3.969 2.322 4.511 . 0 0 "[ . 1 . 2]" 1
44 1 19 ASP HB3 1 20 GLY H . . 4.730 3.583 2.533 4.601 . 0 0 "[ . 1 . 2]" 1
45 1 22 PHE HA 1 22 PHE QD . . 3.780 2.808 2.265 3.139 . 0 0 "[ . 1 . 2]" 1
46 1 22 PHE QD 1 39 LEU MD1 . . 4.310 3.703 2.225 4.337 0.027 14 0 "[ . 1 . 2]" 1
47 1 22 PHE QD 1 39 LEU MD2 . . 4.310 3.740 2.055 4.342 0.032 6 0 "[ . 1 . 2]" 1
48 1 22 PHE QE 1 39 LEU H . . 5.500 5.297 4.849 5.578 0.078 10 0 "[ . 1 . 2]" 1
49 1 22 PHE QE 1 39 LEU MD1 . . 4.830 3.463 2.377 4.848 0.018 1 0 "[ . 1 . 2]" 1
50 1 22 PHE QE 1 39 LEU QD . . 3.770 2.990 2.131 3.500 . 0 0 "[ . 1 . 2]" 1
51 1 22 PHE QE 1 39 LEU MD2 . . 4.830 3.701 2.215 4.525 . 0 0 "[ . 1 . 2]" 1
52 1 23 SER HA 1 24 VAL H . . 2.900 2.492 2.174 2.916 0.016 5 0 "[ . 1 . 2]" 1
53 1 23 SER QB 1 24 VAL H . . 3.960 3.515 2.255 4.040 0.080 5 0 "[ . 1 . 2]" 1
54 1 23 SER QB 1 24 VAL QG . . 4.600 4.172 3.713 4.530 . 0 0 "[ . 1 . 2]" 1
55 1 23 SER QB 1 31 LEU H . . 4.470 3.693 3.155 4.508 0.038 10 0 "[ . 1 . 2]" 1
56 1 23 SER QB 1 31 LEU QB . . 4.080 2.684 2.191 3.354 . 0 0 "[ . 1 . 2]" 1
57 1 23 SER QB 1 31 LEU QD . . 3.580 3.238 2.093 4.318 0.738 16 1 "[ . 1 .+ 2]" 1
58 1 23 SER QB 1 33 THR MG . . 3.920 3.181 2.090 3.943 0.023 11 0 "[ . 1 . 2]" 1
59 1 23 SER HB2 1 24 VAL H . . 4.570 4.288 3.495 4.606 0.036 15 0 "[ . 1 . 2]" 1
60 1 23 SER HB2 1 31 LEU H . . 5.110 4.144 3.294 5.057 . 0 0 "[ . 1 . 2]" 1
61 1 23 SER HB3 1 24 VAL H . . 4.570 3.842 2.284 4.617 0.047 18 0 "[ . 1 . 2]" 1
62 1 23 SER HB3 1 31 LEU H . . 5.110 4.385 3.386 5.153 0.043 20 0 "[ . 1 . 2]" 1
63 1 24 VAL H 1 24 VAL HB . . 4.050 3.638 2.736 3.933 . 0 0 "[ . 1 . 2]" 1
64 1 24 VAL H 1 24 VAL MG1 . . 3.780 2.879 2.162 3.875 0.095 11 0 "[ . 1 . 2]" 1
65 1 24 VAL H 1 24 VAL QG . . 3.240 2.161 1.934 2.466 . 0 0 "[ . 1 . 2]" 1
66 1 24 VAL H 1 24 VAL MG2 . . 3.780 2.269 2.117 2.530 . 0 0 "[ . 1 . 2]" 1
67 1 24 VAL H 1 25 ASP H . . 4.630 4.506 4.247 4.662 0.032 3 0 "[ . 1 . 2]" 1
68 1 24 VAL H 1 31 LEU HG . . 5.120 4.958 4.429 5.244 0.124 5 0 "[ . 1 . 2]" 1
69 1 24 VAL HA 1 24 VAL MG1 . . 3.670 2.339 2.221 2.466 . 0 0 "[ . 1 . 2]" 1
70 1 24 VAL HA 1 24 VAL QG . . 3.120 2.277 2.112 2.397 . 0 0 "[ . 1 . 2]" 1
71 1 24 VAL HA 1 24 VAL MG2 . . 3.670 3.167 2.598 3.281 . 0 0 "[ . 1 . 2]" 1
72 1 24 VAL HA 1 25 ASP H . . 3.280 2.153 2.088 2.247 . 0 0 "[ . 1 . 2]" 1
73 1 24 VAL HA 1 31 LEU H . . 4.130 2.971 2.357 3.534 . 0 0 "[ . 1 . 2]" 1
74 1 24 VAL HB 1 25 ASP H . . 3.530 2.970 2.515 3.695 0.165 12 0 "[ . 1 . 2]" 1
75 1 24 VAL QG 1 25 ASP H . . 3.630 3.211 2.212 3.577 . 0 0 "[ . 1 . 2]" 1
76 1 24 VAL QG 1 28 GLY H . . 4.230 3.845 3.019 4.383 0.153 6 0 "[ . 1 . 2]" 1
77 1 24 VAL QG 1 28 GLY QA . . 3.610 2.817 1.997 3.475 . 0 0 "[ . 1 . 2]" 1
78 1 24 VAL QG 1 30 LEU HA . . 4.120 3.173 2.583 3.921 . 0 0 "[ . 1 . 2]" 1
79 1 24 VAL QG 1 31 LEU H . . 4.770 4.023 3.487 4.730 . 0 0 "[ . 1 . 2]" 1
80 1 24 VAL MG1 1 25 ASP H . . 4.240 3.582 2.221 4.156 . 0 0 "[ . 1 . 2]" 1
81 1 24 VAL MG1 1 28 GLY HA2 . . 5.500 3.351 2.016 4.417 . 0 0 "[ . 1 . 2]" 1
82 1 24 VAL MG1 1 28 GLY HA3 . . 5.500 4.483 3.348 5.508 0.008 19 0 "[ . 1 . 2]" 1
83 1 24 VAL MG2 1 25 ASP H . . 4.240 3.841 3.605 4.130 . 0 0 "[ . 1 . 2]" 1
84 1 24 VAL MG2 1 28 GLY HA2 . . 5.500 3.479 2.536 4.339 . 0 0 "[ . 1 . 2]" 1
85 1 24 VAL MG2 1 28 GLY HA3 . . 5.500 4.847 3.855 5.562 0.062 11 0 "[ . 1 . 2]" 1
86 1 25 ASP H 1 25 ASP HB2 . . 4.190 2.493 2.295 2.793 . 0 0 "[ . 1 . 2]" 1
87 1 25 ASP H 1 25 ASP QB . . 3.610 2.222 2.112 2.463 . 0 0 "[ . 1 . 2]" 1
88 1 25 ASP H 1 25 ASP HB3 . . 4.190 2.565 2.273 3.641 . 0 0 "[ . 1 . 2]" 1
89 1 25 ASP H 1 28 GLY H . . 4.510 4.145 3.880 4.372 . 0 0 "[ . 1 . 2]" 1
90 1 25 ASP H 1 29 ASN H . . 3.900 3.165 2.494 3.528 . 0 0 "[ . 1 . 2]" 1
91 1 25 ASP H 1 29 ASN HB2 . . 5.500 3.686 3.268 4.027 . 0 0 "[ . 1 . 2]" 1
92 1 25 ASP H 1 29 ASN HB3 . . 5.120 4.925 4.574 5.148 0.028 18 0 "[ . 1 . 2]" 1
93 1 25 ASP H 1 30 LEU HA . . 4.920 3.913 3.623 4.222 . 0 0 "[ . 1 . 2]" 1
94 1 25 ASP H 1 31 LEU H . . 5.030 3.835 3.273 4.216 . 0 0 "[ . 1 . 2]" 1
95 1 25 ASP H 1 31 LEU QD . . 4.200 3.312 3.053 4.060 . 0 0 "[ . 1 . 2]" 1
96 1 25 ASP H 1 31 LEU HG . . 3.930 2.908 2.456 3.916 . 0 0 "[ . 1 . 2]" 1
97 1 25 ASP QB 1 27 SER H . . 4.630 3.056 2.757 3.314 . 0 0 "[ . 1 . 2]" 1
98 1 25 ASP QB 1 28 GLY H . . 4.630 3.429 2.954 3.816 . 0 0 "[ . 1 . 2]" 1
99 1 25 ASP QB 1 29 ASN H . . 4.040 2.298 1.868 2.817 . 0 0 "[ . 1 . 2]" 1
100 1 25 ASP QB 1 31 LEU H . . 5.330 4.589 4.009 5.138 . 0 0 "[ . 1 . 2]" 1
101 1 25 ASP QB 1 31 LEU QB . . 5.180 4.612 4.265 4.959 . 0 0 "[ . 1 . 2]" 1
102 1 25 ASP QB 1 31 LEU QD . . 4.370 2.313 2.100 4.551 0.181 8 0 "[ . 1 . 2]" 1
103 1 26 ALA H 1 27 SER H . . 3.480 2.818 2.645 2.950 . 0 0 "[ . 1 . 2]" 1
104 1 26 ALA H 1 28 GLY H . . 4.250 4.231 4.097 4.327 0.077 6 0 "[ . 1 . 2]" 1
105 1 26 ALA HA 1 28 GLY H . . 5.070 3.689 3.440 3.987 . 0 0 "[ . 1 . 2]" 1
106 1 26 ALA MB 1 27 SER H . . 3.670 2.778 2.505 3.098 . 0 0 "[ . 1 . 2]" 1
107 1 27 SER H 1 27 SER HB2 . . 4.170 2.576 2.436 2.768 . 0 0 "[ . 1 . 2]" 1
108 1 27 SER H 1 27 SER QB . . 3.400 2.403 2.149 2.606 . 0 0 "[ . 1 . 2]" 1
109 1 27 SER H 1 27 SER HB3 . . 4.170 3.196 2.239 3.733 . 0 0 "[ . 1 . 2]" 1
110 1 27 SER H 1 28 GLY QA . . 5.010 4.586 4.387 4.717 . 0 0 "[ . 1 . 2]" 1
111 1 27 SER H 1 29 ASN H . . 3.730 3.645 3.374 3.772 0.042 20 0 "[ . 1 . 2]" 1
112 1 27 SER H 1 29 ASN HB2 . . 5.500 4.906 4.404 5.337 . 0 0 "[ . 1 . 2]" 1
113 1 27 SER H 1 29 ASN QD . . 5.080 4.682 3.635 5.128 0.048 7 0 "[ . 1 . 2]" 1
114 1 27 SER QB 1 28 GLY H . . 4.160 3.569 3.118 3.799 . 0 0 "[ . 1 . 2]" 1
115 1 27 SER QB 1 29 ASN QD . . 3.560 2.669 1.991 3.290 . 0 0 "[ . 1 . 2]" 1
116 1 28 GLY H 1 29 ASN H . . 3.670 2.595 2.259 2.801 . 0 0 "[ . 1 . 2]" 1
117 1 28 GLY H 1 29 ASN HB2 . . 5.500 5.014 4.695 5.345 . 0 0 "[ . 1 . 2]" 1
118 1 28 GLY H 1 29 ASN QD . . 5.340 4.525 3.904 5.359 0.019 3 0 "[ . 1 . 2]" 1
119 1 29 ASN H 1 29 ASN HB3 . . 3.830 3.674 3.572 3.833 0.003 6 0 "[ . 1 . 2]" 1
120 1 29 ASN H 1 29 ASN HD21 . . 4.500 3.068 2.378 4.355 . 0 0 "[ . 1 . 2]" 1
121 1 29 ASN H 1 29 ASN HD22 . . 4.500 3.884 3.341 4.530 0.030 20 0 "[ . 1 . 2]" 1
122 1 29 ASN HA 1 29 ASN HD21 . . 4.170 2.684 2.157 4.025 . 0 0 "[ . 1 . 2]" 1
123 1 29 ASN HA 1 29 ASN QD . . 3.340 2.612 2.145 3.651 0.311 19 0 "[ . 1 . 2]" 1
124 1 29 ASN HA 1 29 ASN HD22 . . 4.170 3.969 3.729 4.268 0.098 7 0 "[ . 1 . 2]" 1
125 1 29 ASN HA 1 30 LEU H . . 3.450 2.317 2.180 2.493 . 0 0 "[ . 1 . 2]" 1
126 1 29 ASN HA 1 71 ALA MB . . 4.420 3.850 3.390 4.317 . 0 0 "[ . 1 . 2]" 1
127 1 29 ASN HA 1 74 GLN HE21 . . 3.890 3.506 3.084 3.923 0.033 14 0 "[ . 1 . 2]" 1
128 1 29 ASN HB2 1 29 ASN QD . . 3.440 3.172 2.196 3.404 . 0 0 "[ . 1 . 2]" 1
129 1 29 ASN HB2 1 30 LEU H . . 4.190 3.804 3.290 4.155 . 0 0 "[ . 1 . 2]" 1
130 1 29 ASN HB2 1 31 LEU H . . 5.500 5.447 4.716 5.605 0.105 16 0 "[ . 1 . 2]" 1
131 1 29 ASN HB2 1 74 GLN HE21 . . 5.500 5.581 5.474 5.654 0.154 4 0 "[ . 1 . 2]" 1
132 1 29 ASN HB3 1 29 ASN QD . . 3.350 2.986 2.234 3.400 0.050 9 0 "[ . 1 . 2]" 1
133 1 29 ASN HB3 1 29 ASN HD22 . . 3.820 3.837 3.519 4.011 0.191 9 0 "[ . 1 . 2]" 1
134 1 29 ASN HB3 1 30 LEU H . . 4.540 2.901 2.545 3.413 . 0 0 "[ . 1 . 2]" 1
135 1 30 LEU H 1 30 LEU HB2 . . 4.100 2.167 2.023 2.255 . 0 0 "[ . 1 . 2]" 1
136 1 30 LEU H 1 30 LEU QB . . 3.570 2.146 2.007 2.231 . 0 0 "[ . 1 . 2]" 1
137 1 30 LEU H 1 30 LEU HB3 . . 4.100 3.468 3.297 3.541 . 0 0 "[ . 1 . 2]" 1
138 1 30 LEU H 1 30 LEU MD1 . . 4.860 4.250 4.110 4.448 . 0 0 "[ . 1 . 2]" 1
139 1 30 LEU H 1 30 LEU MD2 . . 4.340 2.611 2.371 3.101 . 0 0 "[ . 1 . 2]" 1
140 1 30 LEU H 1 30 LEU HG . . 4.170 3.894 3.724 4.184 0.014 6 0 "[ . 1 . 2]" 1
141 1 30 LEU H 1 31 LEU H . . 4.640 4.455 4.156 4.599 . 0 0 "[ . 1 . 2]" 1
142 1 30 LEU H 1 71 ALA HA . . 4.790 3.487 3.166 4.020 . 0 0 "[ . 1 . 2]" 1
143 1 30 LEU H 1 71 ALA MB . . 4.100 4.155 4.114 4.210 0.110 4 0 "[ . 1 . 2]" 1
144 1 30 LEU H 1 74 GLN HE21 . . 4.880 3.598 3.203 4.039 . 0 0 "[ . 1 . 2]" 1
145 1 30 LEU HA 1 30 LEU MD1 . . 3.460 2.368 2.276 2.515 . 0 0 "[ . 1 . 2]" 1
146 1 30 LEU HA 1 30 LEU MD2 . . 3.280 2.155 2.037 2.281 . 0 0 "[ . 1 . 2]" 1
147 1 30 LEU HA 1 30 LEU HG . . 4.040 3.697 3.643 3.731 . 0 0 "[ . 1 . 2]" 1
148 1 30 LEU HA 1 31 LEU H . . 3.360 2.104 2.056 2.159 . 0 0 "[ . 1 . 2]" 1
149 1 30 LEU QB 1 30 LEU MD1 . . 2.960 2.206 2.169 2.245 . 0 0 "[ . 1 . 2]" 1
150 1 30 LEU QB 1 30 LEU MD2 . . 2.910 2.547 2.440 2.625 . 0 0 "[ . 1 . 2]" 1
151 1 30 LEU QB 1 71 ALA HA . . 5.190 3.660 2.908 4.003 . 0 0 "[ . 1 . 2]" 1
152 1 30 LEU HB2 1 30 LEU MD2 . . 3.380 2.662 2.523 2.766 . 0 0 "[ . 1 . 2]" 1
153 1 30 LEU HB3 1 30 LEU MD2 . . 3.380 3.251 3.239 3.267 . 0 0 "[ . 1 . 2]" 1
154 1 30 LEU MD1 1 71 ALA MB . . 4.060 3.916 3.645 4.077 0.017 6 0 "[ . 1 . 2]" 1
155 1 30 LEU MD1 1 75 ALA H . . 4.590 4.327 4.107 4.508 . 0 0 "[ . 1 . 2]" 1
156 1 30 LEU MD2 1 31 LEU H . . 4.160 3.934 3.612 4.093 . 0 0 "[ . 1 . 2]" 1
157 1 30 LEU MD2 1 67 LEU QD . . 4.090 2.032 1.936 2.108 . 0 0 "[ . 1 . 2]" 1
158 1 30 LEU MD2 1 71 ALA HA . . 3.580 2.512 2.255 2.806 . 0 0 "[ . 1 . 2]" 1
159 1 30 LEU MD2 1 71 ALA MB . . 2.800 1.964 1.905 2.002 . 0 0 "[ . 1 . 2]" 1
160 1 30 LEU MD2 1 74 GLN H . . 4.940 4.760 4.489 4.986 0.046 6 0 "[ . 1 . 2]" 1
161 1 30 LEU HG 1 71 ALA HA . . 4.400 3.772 3.426 4.031 . 0 0 "[ . 1 . 2]" 1
162 1 30 LEU HG 1 71 ALA MB . . 3.650 3.436 2.972 3.696 0.046 16 0 "[ . 1 . 2]" 1
163 1 30 LEU HG 1 74 GLN H . . 4.480 4.549 4.512 4.575 0.095 8 0 "[ . 1 . 2]" 1
164 1 30 LEU HG 1 75 ALA H . . 3.380 3.075 2.866 3.249 . 0 0 "[ . 1 . 2]" 1
165 1 30 LEU HG 1 75 ALA HA . . 3.810 3.701 3.357 3.838 0.028 11 0 "[ . 1 . 2]" 1
166 1 31 LEU H 1 31 LEU HB2 . . 3.980 2.494 2.171 2.627 . 0 0 "[ . 1 . 2]" 1
167 1 31 LEU H 1 31 LEU QB . . 3.450 2.449 2.095 2.575 . 0 0 "[ . 1 . 2]" 1
168 1 31 LEU H 1 31 LEU HB3 . . 3.980 3.596 2.758 3.718 . 0 0 "[ . 1 . 2]" 1
169 1 31 LEU H 1 31 LEU MD1 . . 4.460 3.725 3.513 4.153 . 0 0 "[ . 1 . 2]" 1
170 1 31 LEU H 1 31 LEU MD2 . . 4.460 3.500 3.166 4.291 . 0 0 "[ . 1 . 2]" 1
171 1 31 LEU H 1 31 LEU HG . . 4.130 2.514 2.241 4.159 0.029 8 0 "[ . 1 . 2]" 1
172 1 31 LEU H 1 36 ILE MD . . 5.080 4.297 3.189 5.109 0.029 2 0 "[ . 1 . 2]" 1
173 1 31 LEU HA 1 31 LEU MD1 . . 4.150 3.886 3.827 3.945 . 0 0 "[ . 1 . 2]" 1
174 1 31 LEU HA 1 31 LEU QD . . 2.990 2.204 2.102 2.441 . 0 0 "[ . 1 . 2]" 1
175 1 31 LEU HA 1 31 LEU MD2 . . 4.150 2.217 2.111 2.470 . 0 0 "[ . 1 . 2]" 1
176 1 31 LEU HA 1 31 LEU HG . . 3.340 3.168 2.543 3.373 0.033 5 0 "[ . 1 . 2]" 1
177 1 31 LEU HA 1 32 ILE H . . 3.360 2.180 2.039 2.343 . 0 0 "[ . 1 . 2]" 1
178 1 31 LEU HA 1 32 ILE MD . . 3.550 3.339 2.931 3.594 0.044 2 0 "[ . 1 . 2]" 1
179 1 31 LEU HA 1 32 ILE MG . . 5.390 3.780 3.396 4.270 . 0 0 "[ . 1 . 2]" 1
180 1 31 LEU QB 1 31 LEU QD . . 2.600 1.962 1.945 1.980 . 0 0 "[ . 1 . 2]" 1
181 1 31 LEU QB 1 32 ILE H . . 3.970 3.157 2.584 3.984 0.014 8 0 "[ . 1 . 2]" 1
182 1 31 LEU HB2 1 31 LEU MD1 . . 3.550 2.333 2.282 2.388 . 0 0 "[ . 1 . 2]" 1
183 1 31 LEU HB2 1 31 LEU MD2 . . 3.550 3.247 3.232 3.264 . 0 0 "[ . 1 . 2]" 1
184 1 31 LEU HB3 1 31 LEU MD1 . . 3.550 2.396 2.346 2.453 . 0 0 "[ . 1 . 2]" 1
185 1 31 LEU HB3 1 31 LEU MD2 . . 3.550 2.409 2.345 2.528 . 0 0 "[ . 1 . 2]" 1
186 1 31 LEU QD 1 32 ILE H . . 4.680 3.591 2.801 3.952 . 0 0 "[ . 1 . 2]" 1
187 1 32 ILE H 1 32 ILE HB . . 3.700 3.645 3.539 3.757 0.057 13 0 "[ . 1 . 2]" 1
188 1 32 ILE H 1 32 ILE MD . . 2.910 1.975 1.675 2.613 . 0 0 "[ . 1 . 2]" 1
189 1 32 ILE H 1 32 ILE HG12 . . 4.380 3.434 2.821 3.778 . 0 0 "[ . 1 . 2]" 1
190 1 32 ILE H 1 32 ILE QG . . 3.780 2.891 1.941 3.442 . 0 0 "[ . 1 . 2]" 1
191 1 32 ILE H 1 32 ILE HG13 . . 4.380 3.412 1.951 3.986 . 0 0 "[ . 1 . 2]" 1
192 1 32 ILE H 1 32 ILE MG . . 2.720 2.446 2.079 2.768 0.048 17 0 "[ . 1 . 2]" 1
193 1 32 ILE H 1 36 ILE MD . . 5.500 4.759 4.385 5.165 . 0 0 "[ . 1 . 2]" 1
194 1 32 ILE HA 1 32 ILE MD . . 3.950 3.713 3.609 3.808 . 0 0 "[ . 1 . 2]" 1
195 1 32 ILE HA 1 32 ILE QG . . 3.710 3.544 3.492 3.586 . 0 0 "[ . 1 . 2]" 1
196 1 32 ILE HA 1 32 ILE MG . . 3.350 2.299 2.114 2.468 . 0 0 "[ . 1 . 2]" 1
197 1 32 ILE HA 1 36 ILE MD . . 4.290 2.889 2.293 4.059 . 0 0 "[ . 1 . 2]" 1
198 1 32 ILE HA 1 36 ILE MG . . 5.180 4.995 4.682 5.199 0.019 12 0 "[ . 1 . 2]" 1
199 1 32 ILE HA 1 78 LEU QD . . 4.030 2.435 1.983 3.051 . 0 0 "[ . 1 . 2]" 1
200 1 32 ILE HB 1 32 ILE MD . . 3.540 3.115 2.551 3.306 . 0 0 "[ . 1 . 2]" 1
201 1 32 ILE QG 1 32 ILE MG . . 2.930 2.268 2.041 2.470 . 0 0 "[ . 1 . 2]" 1
202 1 32 ILE HG12 1 32 ILE MG . . 3.350 3.025 2.312 3.263 . 0 0 "[ . 1 . 2]" 1
203 1 32 ILE HG13 1 32 ILE MG . . 3.350 2.369 2.227 2.558 . 0 0 "[ . 1 . 2]" 1
204 1 33 THR HA 1 33 THR MG . . 3.380 2.832 2.183 3.278 . 0 0 "[ . 1 . 2]" 1
205 1 34 ARG HA 1 34 ARG QD . . 4.210 4.015 2.389 4.270 0.060 5 0 "[ . 1 . 2]" 1
206 1 34 ARG QB 1 34 ARG QD . . 3.150 2.296 2.103 2.421 . 0 0 "[ . 1 . 2]" 1
207 1 34 ARG QD 1 38 ASN QD . . 4.670 4.169 3.265 4.714 0.044 8 0 "[ . 1 . 2]" 1
208 1 34 ARG QG 1 38 ASN HD21 . . 4.520 3.867 2.576 4.677 0.157 20 0 "[ . 1 . 2]" 1
209 1 34 ARG QG 1 38 ASN QD . . 3.950 3.194 2.199 3.966 0.016 6 0 "[ . 1 . 2]" 1
210 1 34 ARG QG 1 38 ASN HD22 . . 4.520 3.461 2.288 4.523 0.003 13 0 "[ . 1 . 2]" 1
211 1 36 ILE H 1 36 ILE HB . . 3.760 2.448 2.366 2.615 . 0 0 "[ . 1 . 2]" 1
212 1 36 ILE H 1 36 ILE MD . . 3.910 3.420 3.271 3.631 . 0 0 "[ . 1 . 2]" 1
213 1 36 ILE H 1 36 ILE HG12 . . 3.670 3.579 3.337 3.715 0.045 2 0 "[ . 1 . 2]" 1
214 1 36 ILE H 1 36 ILE HG13 . . 4.850 2.212 2.039 2.350 . 0 0 "[ . 1 . 2]" 1
215 1 36 ILE H 1 36 ILE MG . . 4.390 3.781 3.741 3.828 . 0 0 "[ . 1 . 2]" 1
216 1 36 ILE H 1 38 ASN H . . 4.500 4.229 3.909 4.448 . 0 0 "[ . 1 . 2]" 1
217 1 36 ILE H 1 39 LEU H . . 5.110 4.843 4.628 5.202 0.092 2 0 "[ . 1 . 2]" 1
218 1 36 ILE H 1 39 LEU QD . . 4.850 4.187 3.686 5.299 0.449 11 0 "[ . 1 . 2]" 1
219 1 36 ILE HA 1 36 ILE MD . . 4.520 3.892 3.845 3.950 . 0 0 "[ . 1 . 2]" 1
220 1 36 ILE HA 1 36 ILE HG13 . . 4.170 2.852 2.708 3.130 . 0 0 "[ . 1 . 2]" 1
221 1 36 ILE HA 1 38 ASN H . . 5.480 4.063 3.699 4.477 . 0 0 "[ . 1 . 2]" 1
222 1 36 ILE HA 1 39 LEU H . . 4.050 3.166 2.970 3.418 . 0 0 "[ . 1 . 2]" 1
223 1 36 ILE HA 1 39 LEU QD . . 4.730 2.672 2.017 3.489 . 0 0 "[ . 1 . 2]" 1
224 1 36 ILE HA 1 39 LEU HG . . 5.500 3.863 3.018 5.528 0.028 11 0 "[ . 1 . 2]" 1
225 1 36 ILE MD 1 36 ILE MG . . 3.200 2.114 2.082 2.162 . 0 0 "[ . 1 . 2]" 1
226 1 36 ILE MD 1 40 PHE HZ . . 4.940 4.734 4.345 4.967 0.027 11 0 "[ . 1 . 2]" 1
227 1 36 ILE MD 1 75 ALA HA . . 4.990 4.688 3.936 5.118 0.128 9 0 "[ . 1 . 2]" 1
228 1 36 ILE MD 1 78 LEU MD1 . . 4.180 2.320 2.041 3.025 . 0 0 "[ . 1 . 2]" 1
229 1 36 ILE MD 1 78 LEU QD . . 3.230 2.199 1.854 2.683 . 0 0 "[ . 1 . 2]" 1
230 1 36 ILE MD 1 78 LEU MD2 . . 4.180 3.175 2.125 4.197 0.017 10 0 "[ . 1 . 2]" 1
231 1 36 ILE HG12 1 36 ILE MG . . 3.070 2.354 2.241 2.440 . 0 0 "[ . 1 . 2]" 1
232 1 36 ILE HG12 1 40 PHE HZ . . 5.500 5.493 5.186 5.574 0.074 2 0 "[ . 1 . 2]" 1
233 1 36 ILE MG 1 37 ARG H . . 4.280 3.542 3.340 3.800 . 0 0 "[ . 1 . 2]" 1
234 1 36 ILE MG 1 38 ASN H . . 5.500 4.908 4.665 5.137 . 0 0 "[ . 1 . 2]" 1
235 1 36 ILE MG 1 39 LEU H . . 5.500 4.449 3.912 4.768 . 0 0 "[ . 1 . 2]" 1
236 1 36 ILE MG 1 40 PHE H . . 5.050 4.078 3.531 4.506 . 0 0 "[ . 1 . 2]" 1
237 1 36 ILE MG 1 40 PHE QE . . 4.390 2.482 2.150 2.803 . 0 0 "[ . 1 . 2]" 1
238 1 36 ILE MG 1 40 PHE HZ . . 3.920 2.522 2.245 2.804 . 0 0 "[ . 1 . 2]" 1
239 1 36 ILE MG 1 75 ALA HA . . 5.500 4.757 3.539 5.552 0.052 2 0 "[ . 1 . 2]" 1
240 1 36 ILE MG 1 78 LEU QD . . 3.030 2.197 1.930 3.077 0.047 17 0 "[ . 1 . 2]" 1
241 1 37 ARG H 1 37 ARG QD . . 4.450 4.250 3.637 4.769 0.319 16 0 "[ . 1 . 2]" 1
242 1 37 ARG H 1 37 ARG QG . . 4.640 3.483 2.125 4.113 . 0 0 "[ . 1 . 2]" 1
243 1 37 ARG H 1 38 ASN H . . 4.400 2.657 2.371 2.781 . 0 0 "[ . 1 . 2]" 1
244 1 37 ARG HA 1 37 ARG QD . . 4.330 3.338 2.206 4.339 0.009 13 0 "[ . 1 . 2]" 1
245 1 37 ARG HA 1 37 ARG QG . . 3.740 2.703 2.312 3.504 . 0 0 "[ . 1 . 2]" 1
246 1 37 ARG HA 1 39 LEU H . . 5.500 4.384 4.136 4.634 . 0 0 "[ . 1 . 2]" 1
247 1 37 ARG HA 1 40 PHE H . . 4.110 3.613 3.237 3.916 . 0 0 "[ . 1 . 2]" 1
248 1 37 ARG HA 1 40 PHE QB . . 4.070 3.377 2.858 3.753 . 0 0 "[ . 1 . 2]" 1
249 1 37 ARG HA 1 40 PHE QD . . 4.660 2.418 2.182 2.782 . 0 0 "[ . 1 . 2]" 1
250 1 37 ARG HA 1 40 PHE QE . . 4.890 3.569 3.041 4.446 . 0 0 "[ . 1 . 2]" 1
251 1 37 ARG HA 1 41 ASP H . . 5.140 4.845 4.034 5.265 0.125 6 0 "[ . 1 . 2]" 1
252 1 37 ARG QB 1 38 ASN H . . 3.950 2.897 2.593 3.996 0.046 1 0 "[ . 1 . 2]" 1
253 1 37 ARG QB 1 38 ASN QD . . 5.080 3.263 2.597 4.613 . 0 0 "[ . 1 . 2]" 1
254 1 37 ARG QB 1 40 PHE QD . . 5.500 4.180 3.272 4.658 . 0 0 "[ . 1 . 2]" 1
255 1 37 ARG QG 1 38 ASN H . . 4.190 3.966 3.328 4.251 0.061 8 0 "[ . 1 . 2]" 1
256 1 37 ARG QG 1 38 ASN QD . . 4.610 4.106 3.082 4.678 0.068 19 0 "[ . 1 . 2]" 1
257 1 37 ARG QG 1 40 PHE QD . . 5.500 4.040 2.943 5.177 . 0 0 "[ . 1 . 2]" 1
258 1 38 ASN H 1 38 ASN HB2 . . 4.060 2.458 2.321 2.582 . 0 0 "[ . 1 . 2]" 1
259 1 38 ASN H 1 38 ASN QB . . 3.510 2.420 2.293 2.531 . 0 0 "[ . 1 . 2]" 1
260 1 38 ASN H 1 38 ASN HB3 . . 4.060 3.631 3.579 3.690 . 0 0 "[ . 1 . 2]" 1
261 1 38 ASN H 1 38 ASN HD21 . . 4.730 2.597 2.071 3.990 . 0 0 "[ . 1 . 2]" 1
262 1 38 ASN H 1 38 ASN QD . . 4.070 2.542 2.045 3.774 . 0 0 "[ . 1 . 2]" 1
263 1 38 ASN H 1 38 ASN HD22 . . 4.730 3.884 3.164 4.652 . 0 0 "[ . 1 . 2]" 1
264 1 38 ASN H 1 39 LEU QD . . 5.440 4.033 3.556 5.408 . 0 0 "[ . 1 . 2]" 1
265 1 38 ASN H 1 40 PHE H . . 4.510 4.287 4.019 4.541 0.031 10 0 "[ . 1 . 2]" 1
266 1 38 ASN HA 1 38 ASN HD21 . . 4.070 3.243 1.966 3.906 . 0 0 "[ . 1 . 2]" 1
267 1 38 ASN HA 1 38 ASN QD . . 3.500 3.060 1.957 3.591 0.091 8 0 "[ . 1 . 2]" 1
268 1 38 ASN HA 1 38 ASN HD22 . . 4.070 3.990 3.549 4.211 0.141 8 0 "[ . 1 . 2]" 1
269 1 38 ASN HA 1 40 PHE H . . 4.740 4.484 4.180 4.761 0.021 4 0 "[ . 1 . 2]" 1
270 1 38 ASN HA 1 41 ASP H . . 4.590 3.395 3.015 3.729 . 0 0 "[ . 1 . 2]" 1
271 1 38 ASN QB 1 39 LEU QD . . 3.990 3.238 2.593 4.629 0.639 11 1 "[ . 1+ . 2]" 1
272 1 38 ASN HB2 1 39 LEU H . . 4.000 2.964 2.775 3.199 . 0 0 "[ . 1 . 2]" 1
273 1 38 ASN HB3 1 39 LEU H . . 4.000 3.821 3.587 4.020 0.020 2 0 "[ . 1 . 2]" 1
274 1 38 ASN QD 1 39 LEU H . . 5.340 4.419 3.891 5.064 . 0 0 "[ . 1 . 2]" 1
275 1 39 LEU H 1 39 LEU QB . . 3.230 2.249 2.123 2.422 . 0 0 "[ . 1 . 2]" 1
276 1 39 LEU H 1 39 LEU MD1 . . 4.220 3.667 2.417 4.134 . 0 0 "[ . 1 . 2]" 1
277 1 39 LEU H 1 39 LEU QD . . 3.610 2.528 2.240 3.550 . 0 0 "[ . 1 . 2]" 1
278 1 39 LEU H 1 39 LEU MD2 . . 4.220 2.870 2.254 4.315 0.095 11 0 "[ . 1 . 2]" 1
279 1 39 LEU H 1 39 LEU HG . . 4.440 3.876 2.395 4.416 . 0 0 "[ . 1 . 2]" 1
280 1 39 LEU H 1 40 PHE H . . 3.340 2.891 2.704 3.025 . 0 0 "[ . 1 . 2]" 1
281 1 39 LEU H 1 40 PHE QD . . 5.500 5.186 4.964 5.380 . 0 0 "[ . 1 . 2]" 1
282 1 39 LEU H 1 41 ASP H . . 4.610 4.294 4.056 4.496 . 0 0 "[ . 1 . 2]" 1
283 1 39 LEU H 1 42 TYR QD . . 5.500 4.959 4.420 5.440 . 0 0 "[ . 1 . 2]" 1
284 1 39 LEU H 1 42 TYR QE . . 5.500 5.098 4.680 5.532 0.032 15 0 "[ . 1 . 2]" 1
285 1 39 LEU HA 1 39 LEU MD1 . . 3.880 2.388 2.104 3.885 0.005 13 0 "[ . 1 . 2]" 1
286 1 39 LEU HA 1 39 LEU QD . . 3.400 2.138 1.963 2.600 . 0 0 "[ . 1 . 2]" 1
287 1 39 LEU HA 1 39 LEU MD2 . . 3.880 2.767 2.130 3.775 . 0 0 "[ . 1 . 2]" 1
288 1 39 LEU HA 1 39 LEU HG . . 3.930 3.375 2.324 3.787 . 0 0 "[ . 1 . 2]" 1
289 1 39 LEU HA 1 42 TYR H . . 3.990 3.653 3.111 4.021 0.031 16 0 "[ . 1 . 2]" 1
290 1 39 LEU QB 1 40 PHE H . . 3.490 2.701 2.549 2.941 . 0 0 "[ . 1 . 2]" 1
291 1 39 LEU QD 1 42 TYR H . . 5.440 4.752 4.281 5.344 . 0 0 "[ . 1 . 2]" 1
292 1 39 LEU QD 1 42 TYR QE . . 4.950 3.156 2.230 4.643 . 0 0 "[ . 1 . 2]" 1
293 1 39 LEU MD1 1 40 PHE H . . 5.500 4.725 4.456 4.923 . 0 0 "[ . 1 . 2]" 1
294 1 39 LEU MD2 1 40 PHE H . . 5.500 4.512 4.178 4.921 . 0 0 "[ . 1 . 2]" 1
295 1 40 PHE H 1 40 PHE HB2 . . 3.870 2.608 2.567 2.727 . 0 0 "[ . 1 . 2]" 1
296 1 40 PHE H 1 40 PHE QB . . 3.330 2.552 2.516 2.656 . 0 0 "[ . 1 . 2]" 1
297 1 40 PHE H 1 40 PHE HB3 . . 3.870 3.624 3.606 3.657 . 0 0 "[ . 1 . 2]" 1
298 1 40 PHE H 1 40 PHE QD . . 4.360 3.116 3.030 3.180 . 0 0 "[ . 1 . 2]" 1
299 1 40 PHE H 1 40 PHE QE . . 4.400 4.412 4.310 4.434 0.034 12 0 "[ . 1 . 2]" 1
300 1 40 PHE H 1 40 PHE HZ . . 5.500 5.535 5.424 5.603 0.103 4 0 "[ . 1 . 2]" 1
301 1 40 PHE H 1 41 ASP H . . 3.750 2.902 2.731 3.014 . 0 0 "[ . 1 . 2]" 1
302 1 40 PHE HA 1 40 PHE QE . . 4.420 4.453 4.419 4.524 0.104 20 0 "[ . 1 . 2]" 1
303 1 40 PHE HA 1 42 TYR H . . 4.450 4.104 3.823 4.299 . 0 0 "[ . 1 . 2]" 1
304 1 40 PHE HA 1 43 PHE H . . 4.340 3.381 3.134 3.649 . 0 0 "[ . 1 . 2]" 1
305 1 40 PHE HA 1 44 LEU H . . 4.650 4.175 3.955 4.493 . 0 0 "[ . 1 . 2]" 1
306 1 40 PHE QB 1 41 ASP H . . 3.820 2.801 2.572 2.991 . 0 0 "[ . 1 . 2]" 1
307 1 40 PHE QD 1 41 ASP H . . 4.540 4.552 4.361 4.658 0.118 2 0 "[ . 1 . 2]" 1
308 1 40 PHE QD 1 43 PHE H . . 5.500 5.180 4.806 5.513 0.013 15 0 "[ . 1 . 2]" 1
309 1 41 ASP H 1 41 ASP QB . . 3.540 2.230 2.018 2.535 . 0 0 "[ . 1 . 2]" 1
310 1 41 ASP H 1 42 TYR H . . 3.900 2.840 2.749 2.972 . 0 0 "[ . 1 . 2]" 1
311 1 41 ASP H 1 44 LEU H . . 4.900 4.830 4.732 4.980 0.080 16 0 "[ . 1 . 2]" 1
312 1 41 ASP HA 1 44 LEU H . . 3.570 3.406 3.123 3.615 0.045 3 0 "[ . 1 . 2]" 1
313 1 41 ASP HA 1 44 LEU QB . . 3.620 2.473 2.183 3.700 0.080 8 0 "[ . 1 . 2]" 1
314 1 41 ASP HA 1 44 LEU QD . . 4.160 2.527 2.153 3.038 . 0 0 "[ . 1 . 2]" 1
315 1 42 TYR H 1 42 TYR QB . . 3.230 2.435 2.351 2.529 . 0 0 "[ . 1 . 2]" 1
316 1 42 TYR H 1 42 TYR QD . . 4.430 2.670 1.865 3.372 . 0 0 "[ . 1 . 2]" 1
317 1 42 TYR H 1 42 TYR QE . . 4.950 4.491 4.102 4.905 . 0 0 "[ . 1 . 2]" 1
318 1 42 TYR H 1 43 PHE QE . . 5.180 5.178 4.767 5.300 0.120 20 0 "[ . 1 . 2]" 1
319 1 42 TYR HA 1 42 TYR QD . . 4.090 2.650 2.193 3.189 . 0 0 "[ . 1 . 2]" 1
320 1 42 TYR HA 1 42 TYR QE . . 4.650 4.614 4.466 4.776 0.126 2 0 "[ . 1 . 2]" 1
321 1 42 TYR QB 1 43 PHE H . . 3.810 2.632 2.372 3.013 . 0 0 "[ . 1 . 2]" 1
322 1 42 TYR QD 1 43 PHE H . . 5.500 4.343 4.085 4.671 . 0 0 "[ . 1 . 2]" 1
323 1 43 PHE H 1 43 PHE QB . . 3.230 2.478 2.418 2.522 . 0 0 "[ . 1 . 2]" 1
324 1 43 PHE H 1 43 PHE QD . . 3.820 2.408 2.039 2.852 . 0 0 "[ . 1 . 2]" 1
325 1 43 PHE H 1 43 PHE QE . . 4.290 4.253 4.090 4.354 0.064 1 0 "[ . 1 . 2]" 1
326 1 43 PHE H 1 44 LEU H . . 3.430 2.577 2.220 2.704 . 0 0 "[ . 1 . 2]" 1
327 1 43 PHE H 1 45 SER H . . 4.110 4.044 3.786 4.215 0.105 20 0 "[ . 1 . 2]" 1
328 1 43 PHE H 1 59 LEU QD . . 5.140 4.428 3.878 4.787 . 0 0 "[ . 1 . 2]" 1
329 1 43 PHE HA 1 43 PHE QD . . 3.970 2.824 2.391 3.192 . 0 0 "[ . 1 . 2]" 1
330 1 43 PHE HA 1 43 PHE QE . . 5.200 4.694 4.461 4.848 . 0 0 "[ . 1 . 2]" 1
331 1 43 PHE QB 1 44 LEU H . . 3.540 2.732 2.496 3.089 . 0 0 "[ . 1 . 2]" 1
332 1 43 PHE QB 1 45 SER H . . 4.910 4.639 4.344 4.913 0.003 7 0 "[ . 1 . 2]" 1
333 1 43 PHE QB 1 59 LEU HA . . 5.500 4.542 3.006 5.151 . 0 0 "[ . 1 . 2]" 1
334 1 43 PHE QB 1 59 LEU QD . . 3.800 2.197 1.929 2.550 . 0 0 "[ . 1 . 2]" 1
335 1 43 PHE QD 1 44 LEU H . . 4.580 4.171 3.876 4.546 . 0 0 "[ . 1 . 2]" 1
336 1 43 PHE QD 1 59 LEU QD . . 4.020 2.999 2.041 3.591 . 0 0 "[ . 1 . 2]" 1
337 1 44 LEU H 1 44 LEU HB2 . . 3.660 2.446 2.245 3.667 0.007 8 0 "[ . 1 . 2]" 1
338 1 44 LEU H 1 44 LEU HB3 . . 3.660 3.433 1.966 3.586 . 0 0 "[ . 1 . 2]" 1
339 1 44 LEU H 1 44 LEU MD1 . . 4.520 3.526 3.378 4.361 . 0 0 "[ . 1 . 2]" 1
340 1 44 LEU H 1 44 LEU QD . . 3.840 3.199 3.117 3.518 . 0 0 "[ . 1 . 2]" 1
341 1 44 LEU H 1 44 LEU MD2 . . 4.520 3.718 3.272 3.963 . 0 0 "[ . 1 . 2]" 1
342 1 44 LEU H 1 44 LEU HG . . 3.460 2.542 2.337 3.582 0.122 20 0 "[ . 1 . 2]" 1
343 1 44 LEU H 1 45 SER H . . 3.360 2.738 2.410 2.944 . 0 0 "[ . 1 . 2]" 1
344 1 44 LEU H 1 59 LEU QD . . 4.730 4.225 2.967 5.032 0.302 11 0 "[ . 1 . 2]" 1
345 1 44 LEU HA 1 44 LEU MD1 . . 3.960 3.834 3.037 3.912 . 0 0 "[ . 1 . 2]" 1
346 1 44 LEU HA 1 44 LEU QD . . 3.060 2.265 2.142 3.351 0.291 8 0 "[ . 1 . 2]" 1
347 1 44 LEU HA 1 44 LEU MD2 . . 3.960 2.365 2.152 4.057 0.097 8 0 "[ . 1 . 2]" 1
348 1 44 LEU HA 1 44 LEU HG . . 3.650 2.974 2.651 3.714 0.064 8 0 "[ . 1 . 2]" 1
349 1 44 LEU HA 1 46 ALA H . . 5.420 3.886 3.212 5.448 0.028 20 0 "[ . 1 . 2]" 1
350 1 44 LEU QB 1 44 LEU QD . . 2.620 1.941 1.895 1.957 . 0 0 "[ . 1 . 2]" 1
351 1 44 LEU HB2 1 45 SER H . . 4.230 3.351 2.672 4.290 0.060 20 0 "[ . 1 . 2]" 1
352 1 44 LEU HB3 1 45 SER H . . 4.230 3.967 3.406 4.352 0.122 5 0 "[ . 1 . 2]" 1
353 1 44 LEU QD 1 46 ALA H . . 5.440 5.001 3.674 5.932 0.492 18 0 "[ . 1 . 2]" 1
354 1 44 LEU MD1 1 45 SER H . . 5.500 4.835 3.294 5.420 . 0 0 "[ . 1 . 2]" 1
355 1 44 LEU MD2 1 45 SER H . . 5.500 4.863 4.073 5.015 . 0 0 "[ . 1 . 2]" 1
356 1 45 SER H 1 45 SER QB . . 3.140 2.325 2.190 2.519 . 0 0 "[ . 1 . 2]" 1
357 1 45 SER H 1 46 ALA MB . . 4.640 4.300 3.769 4.706 0.066 20 0 "[ . 1 . 2]" 1
358 1 45 SER HA 1 45 SER QB . . 2.740 2.350 2.153 2.511 . 0 0 "[ . 1 . 2]" 1
359 1 45 SER QB 1 46 ALA H . . 4.900 3.484 2.435 4.080 . 0 0 "[ . 1 . 2]" 1
360 1 46 ALA H 1 46 ALA MB . . 3.370 2.418 2.182 2.794 . 0 0 "[ . 1 . 2]" 1
361 1 46 ALA MB 1 47 VAL H . . 3.840 3.021 2.078 3.800 . 0 0 "[ . 1 . 2]" 1
362 1 47 VAL H 1 47 VAL HB . . 4.100 3.361 2.513 3.954 . 0 0 "[ . 1 . 2]" 1
363 1 47 VAL H 1 47 VAL MG1 . . 4.110 3.369 2.269 3.997 . 0 0 "[ . 1 . 2]" 1
364 1 47 VAL H 1 47 VAL QG . . 3.390 2.501 1.863 3.148 . 0 0 "[ . 1 . 2]" 1
365 1 47 VAL H 1 47 VAL MG2 . . 4.110 2.743 1.867 4.030 . 0 0 "[ . 1 . 2]" 1
366 1 47 VAL H 1 48 GLY H . . 4.510 3.748 2.095 4.541 0.031 3 0 "[ . 1 . 2]" 1
367 1 47 VAL H 1 49 GLU H . . 5.500 5.203 4.188 5.624 0.124 18 0 "[ . 1 . 2]" 1
368 1 47 VAL HA 1 47 VAL MG1 . . 3.230 2.468 2.254 3.252 0.022 12 0 "[ . 1 . 2]" 1
369 1 47 VAL HA 1 47 VAL QG . . 2.780 2.228 2.140 2.352 . 0 0 "[ . 1 . 2]" 1
370 1 47 VAL HA 1 47 VAL MG2 . . 3.230 2.791 2.317 3.272 0.042 16 0 "[ . 1 . 2]" 1
371 1 47 VAL HB 1 48 GLY H . . 4.580 3.243 1.976 4.424 . 0 0 "[ . 1 . 2]" 1
372 1 47 VAL QG 1 48 GLY H . . 3.940 2.970 2.049 3.840 . 0 0 "[ . 1 . 2]" 1
373 1 47 VAL MG1 1 48 GLY H . . 4.890 3.466 2.304 4.361 . 0 0 "[ . 1 . 2]" 1
374 1 47 VAL MG2 1 48 GLY H . . 4.890 3.594 2.064 4.268 . 0 0 "[ . 1 . 2]" 1
375 1 49 GLU H 1 49 GLU QG . . 5.010 3.663 2.389 4.533 . 0 0 "[ . 1 . 2]" 1
376 1 49 GLU H 1 50 GLU H . . 4.650 2.732 1.896 4.206 . 0 0 "[ . 1 . 2]" 1
377 1 49 GLU HA 1 49 GLU QG . . 3.330 2.638 2.232 3.372 0.042 9 0 "[ . 1 . 2]" 1
378 1 49 GLU QB 1 49 GLU QG . . 2.280 2.030 1.983 2.106 . 0 0 "[ . 1 . 2]" 1
379 1 49 GLU HB2 1 49 GLU QG . . 2.800 2.282 2.137 2.516 . 0 0 "[ . 1 . 2]" 1
380 1 49 GLU HB3 1 49 GLU QG . . 2.800 2.329 2.128 2.583 . 0 0 "[ . 1 . 2]" 1
381 1 50 GLU HA 1 51 PRO HD2 . . 3.920 2.459 2.159 2.847 . 0 0 "[ . 1 . 2]" 1
382 1 50 GLU HA 1 51 PRO HD3 . . 3.920 2.432 2.247 3.147 . 0 0 "[ . 1 . 2]" 1
383 1 51 PRO QB 1 54 GLN QB . . 4.180 4.054 3.638 4.238 0.058 13 0 "[ . 1 . 2]" 1
384 1 51 PRO QD 1 54 GLN H . . 4.510 3.956 3.661 4.529 0.019 12 0 "[ . 1 . 2]" 1
385 1 51 PRO QD 1 54 GLN QB . . 3.460 2.442 2.202 3.042 . 0 0 "[ . 1 . 2]" 1
386 1 51 PRO QG 1 54 GLN H . . 4.310 2.634 2.270 3.078 . 0 0 "[ . 1 . 2]" 1
387 1 52 LEU HA 1 52 LEU MD1 . . 4.060 3.044 2.138 4.070 0.010 14 0 "[ . 1 . 2]" 1
388 1 52 LEU HA 1 52 LEU QD . . 3.110 2.592 2.106 3.487 0.377 19 0 "[ . 1 . 2]" 1
389 1 52 LEU HA 1 52 LEU MD2 . . 4.060 3.391 2.165 4.051 . 0 0 "[ . 1 . 2]" 1
390 1 52 LEU HA 1 52 LEU HG . . 3.810 2.973 2.432 3.814 0.004 5 0 "[ . 1 . 2]" 1
391 1 52 LEU HA 1 55 SER H . . 3.740 3.499 3.254 3.674 . 0 0 "[ . 1 . 2]" 1
392 1 52 LEU QB 1 52 LEU QD . . 2.840 1.963 1.905 2.103 . 0 0 "[ . 1 . 2]" 1
393 1 52 LEU QB 1 53 GLN HA . . 4.350 4.029 3.868 4.439 0.089 19 0 "[ . 1 . 2]" 1
394 1 52 LEU QB 1 53 GLN QE . . 5.180 5.075 3.941 5.298 0.118 5 0 "[ . 1 . 2]" 1
395 1 52 LEU MD1 1 53 GLN H . . 4.890 4.305 2.937 4.876 . 0 0 "[ . 1 . 2]" 1
396 1 52 LEU MD2 1 53 GLN H . . 4.890 4.539 3.600 4.898 0.008 2 0 "[ . 1 . 2]" 1
397 1 52 LEU HG 1 53 GLN H . . 5.140 4.488 2.105 5.180 0.040 3 0 "[ . 1 . 2]" 1
398 1 53 GLN H 1 53 GLN QB . . 3.690 2.258 2.092 2.535 . 0 0 "[ . 1 . 2]" 1
399 1 53 GLN H 1 53 GLN QE . . 4.420 4.358 3.519 4.570 0.150 12 0 "[ . 1 . 2]" 1
400 1 53 GLN H 1 53 GLN QG . . 4.400 3.163 2.136 4.082 . 0 0 "[ . 1 . 2]" 1
401 1 53 GLN H 1 55 SER QB . . 5.280 4.826 4.495 5.336 0.056 12 0 "[ . 1 . 2]" 1
402 1 53 GLN HA 1 53 GLN HE21 . . 4.350 2.102 1.794 2.769 . 0 0 "[ . 1 . 2]" 1
403 1 53 GLN HA 1 53 GLN QE . . 3.550 2.069 1.788 2.666 . 0 0 "[ . 1 . 2]" 1
404 1 53 GLN HA 1 53 GLN HE22 . . 4.350 3.355 2.965 3.712 . 0 0 "[ . 1 . 2]" 1
405 1 53 GLN HA 1 53 GLN QG . . 3.380 2.746 2.285 3.111 . 0 0 "[ . 1 . 2]" 1
406 1 53 GLN HA 1 56 LEU H . . 4.170 3.722 3.471 4.008 . 0 0 "[ . 1 . 2]" 1
407 1 53 GLN HA 1 57 ASP H . . 3.990 4.028 3.943 4.126 0.136 6 0 "[ . 1 . 2]" 1
408 1 53 GLN QB 1 53 GLN QE . . 3.720 2.812 2.053 3.357 . 0 0 "[ . 1 . 2]" 1
409 1 53 GLN QB 1 54 GLN HE21 . . 4.560 4.053 3.573 4.356 . 0 0 "[ . 1 . 2]" 1
410 1 53 GLN QB 1 54 GLN HE22 . . 5.330 5.179 4.554 5.389 0.059 7 0 "[ . 1 . 2]" 1
411 1 53 GLN HB2 1 53 GLN HE22 . . 5.350 4.777 4.014 5.149 . 0 0 "[ . 1 . 2]" 1
412 1 53 GLN HB3 1 53 GLN HE22 . . 5.350 4.200 3.486 5.105 . 0 0 "[ . 1 . 2]" 1
413 1 53 GLN QE 1 56 LEU HB3 . . 5.340 4.966 3.441 5.355 0.015 15 0 "[ . 1 . 2]" 1
414 1 53 GLN QE 1 56 LEU QD . . 3.620 2.362 2.051 3.272 . 0 0 "[ . 1 . 2]" 1
415 1 53 GLN QG 1 54 GLN H . . 4.350 4.174 3.555 4.446 0.096 5 0 "[ . 1 . 2]" 1
416 1 54 GLN H 1 54 GLN QB . . 3.500 2.142 1.952 2.299 . 0 0 "[ . 1 . 2]" 1
417 1 54 GLN H 1 54 GLN HE21 . . 3.360 3.432 3.372 3.502 0.142 18 0 "[ . 1 . 2]" 1
418 1 54 GLN H 1 54 GLN HE22 . . 5.500 5.029 4.428 5.176 . 0 0 "[ . 1 . 2]" 1
419 1 54 GLN H 1 54 GLN QG . . 4.480 3.972 2.613 4.102 . 0 0 "[ . 1 . 2]" 1
420 1 54 GLN H 1 55 SER H . . 3.780 2.671 2.476 3.000 . 0 0 "[ . 1 . 2]" 1
421 1 54 GLN HA 1 54 GLN HE21 . . 4.120 2.354 1.859 3.566 . 0 0 "[ . 1 . 2]" 1
422 1 54 GLN HA 1 54 GLN HE22 . . 4.600 3.418 3.152 3.741 . 0 0 "[ . 1 . 2]" 1
423 1 54 GLN HA 1 54 GLN QG . . 3.200 2.739 2.416 2.942 . 0 0 "[ . 1 . 2]" 1
424 1 54 GLN HA 1 57 ASP H . . 3.700 3.308 2.986 3.630 . 0 0 "[ . 1 . 2]" 1
425 1 54 GLN HA 1 57 ASP QB . . 3.650 2.591 2.154 3.084 . 0 0 "[ . 1 . 2]" 1
426 1 54 GLN HB2 1 55 SER H . . 3.590 3.642 3.016 3.747 0.157 12 0 "[ . 1 . 2]" 1
427 1 54 GLN HB3 1 55 SER H . . 3.590 2.690 2.499 3.673 0.083 13 0 "[ . 1 . 2]" 1
428 1 54 GLN HE21 1 58 ARG HB2 . . 5.050 4.715 4.044 5.091 0.041 10 0 "[ . 1 . 2]" 1
429 1 54 GLN HE22 1 54 GLN QG . . 3.780 3.526 3.395 3.564 . 0 0 "[ . 1 . 2]" 1
430 1 54 GLN HE22 1 58 ARG HB2 . . 5.140 4.731 3.545 5.190 0.050 20 0 "[ . 1 . 2]" 1
431 1 54 GLN QG 1 55 SER H . . 4.820 4.076 3.817 4.494 . 0 0 "[ . 1 . 2]" 1
432 1 54 GLN QG 1 58 ARG HB2 . . 3.380 2.462 2.089 3.565 0.185 13 0 "[ . 1 . 2]" 1
433 1 55 SER H 1 55 SER QB . . 3.390 2.262 2.078 2.701 . 0 0 "[ . 1 . 2]" 1
434 1 55 SER H 1 56 LEU H . . 3.510 3.019 2.874 3.138 . 0 0 "[ . 1 . 2]" 1
435 1 55 SER H 1 57 ASP H . . 4.340 4.311 4.086 4.408 0.068 6 0 "[ . 1 . 2]" 1
436 1 55 SER HA 1 57 ASP H . . 5.050 4.902 4.719 5.034 . 0 0 "[ . 1 . 2]" 1
437 1 55 SER HA 1 58 ARG H . . 5.480 4.510 4.268 4.914 . 0 0 "[ . 1 . 2]" 1
438 1 55 SER HA 1 59 LEU H . . 5.120 4.436 4.107 4.748 . 0 0 "[ . 1 . 2]" 1
439 1 55 SER QB 1 56 LEU H . . 3.780 2.932 2.271 3.609 . 0 0 "[ . 1 . 2]" 1
440 1 56 LEU H 1 56 LEU HB2 . . 3.740 3.647 2.571 3.851 0.111 15 0 "[ . 1 . 2]" 1
441 1 56 LEU H 1 56 LEU HB3 . . 3.280 2.765 2.173 3.535 0.255 7 0 "[ . 1 . 2]" 1
442 1 56 LEU H 1 56 LEU MD1 . . 4.190 3.912 3.515 4.258 0.068 6 0 "[ . 1 . 2]" 1
443 1 56 LEU H 1 56 LEU QD . . 3.640 3.008 2.046 3.755 0.115 6 0 "[ . 1 . 2]" 1
444 1 56 LEU H 1 56 LEU MD2 . . 4.190 3.202 2.050 4.175 . 0 0 "[ . 1 . 2]" 1
445 1 56 LEU H 1 56 LEU HG . . 3.730 2.635 2.046 4.014 0.284 6 0 "[ . 1 . 2]" 1
446 1 56 LEU H 1 57 ASP H . . 3.480 2.379 1.981 2.790 . 0 0 "[ . 1 . 2]" 1
447 1 56 LEU HA 1 56 LEU MD1 . . 4.240 3.651 2.261 4.029 . 0 0 "[ . 1 . 2]" 1
448 1 56 LEU HA 1 56 LEU QD . . 3.510 3.307 2.246 3.503 . 0 0 "[ . 1 . 2]" 1
449 1 56 LEU HA 1 56 LEU MD2 . . 4.240 3.949 2.284 4.121 . 0 0 "[ . 1 . 2]" 1
450 1 56 LEU HA 1 56 LEU HG . . 3.790 3.715 3.312 3.808 0.018 5 0 "[ . 1 . 2]" 1
451 1 56 LEU HA 1 59 LEU H . . 4.110 3.604 3.211 4.002 . 0 0 "[ . 1 . 2]" 1
452 1 56 LEU HA 1 59 LEU QB . . 3.540 2.484 2.146 2.901 . 0 0 "[ . 1 . 2]" 1
453 1 56 LEU HA 1 60 ARG H . . 4.310 3.983 3.676 4.341 0.031 19 0 "[ . 1 . 2]" 1
454 1 56 LEU HB2 1 56 LEU QD . . 3.120 2.158 2.108 2.316 . 0 0 "[ . 1 . 2]" 1
455 1 56 LEU HB2 1 60 ARG QD . . 5.500 4.559 3.440 5.483 . 0 0 "[ . 1 . 2]" 1
456 1 56 LEU HB3 1 56 LEU MD1 . . 3.630 3.059 2.355 3.242 . 0 0 "[ . 1 . 2]" 1
457 1 56 LEU HB3 1 56 LEU QD . . 2.920 2.165 2.132 2.285 . 0 0 "[ . 1 . 2]" 1
458 1 56 LEU HB3 1 56 LEU MD2 . . 3.630 2.234 2.192 2.496 . 0 0 "[ . 1 . 2]" 1
459 1 56 LEU HB3 1 57 ASP H . . 4.040 3.988 2.805 4.157 0.117 5 0 "[ . 1 . 2]" 1
460 1 56 LEU QD 1 57 ASP H . . 3.760 2.932 2.285 3.938 0.178 7 0 "[ . 1 . 2]" 1
461 1 56 LEU QD 1 60 ARG H . . 4.950 4.493 3.679 5.299 0.349 7 0 "[ . 1 . 2]" 1
462 1 56 LEU QD 1 60 ARG QD . . 4.080 2.983 2.129 3.933 . 0 0 "[ . 1 . 2]" 1
463 1 56 LEU HG 1 57 ASP H . . 3.670 2.582 2.240 3.885 0.215 7 0 "[ . 1 . 2]" 1
464 1 57 ASP H 1 57 ASP HB2 . . 3.360 2.339 2.185 2.511 . 0 0 "[ . 1 . 2]" 1
465 1 57 ASP H 1 57 ASP QB . . 2.860 2.225 2.125 2.301 . 0 0 "[ . 1 . 2]" 1
466 1 57 ASP H 1 57 ASP HB3 . . 3.360 2.923 2.556 3.502 0.142 14 0 "[ . 1 . 2]" 1
467 1 57 ASP H 1 58 ARG H . . 3.460 2.787 2.640 3.005 . 0 0 "[ . 1 . 2]" 1
468 1 57 ASP H 1 59 LEU H . . 4.590 4.047 3.874 4.219 . 0 0 "[ . 1 . 2]" 1
469 1 57 ASP HA 1 60 ARG H . . 3.960 3.398 3.075 3.868 . 0 0 "[ . 1 . 2]" 1
470 1 57 ASP HA 1 60 ARG QB . . 3.720 3.202 2.335 3.830 0.110 2 0 "[ . 1 . 2]" 1
471 1 57 ASP HB2 1 58 ARG H . . 3.690 3.649 2.975 3.849 0.159 13 0 "[ . 1 . 2]" 1
472 1 57 ASP HB3 1 58 ARG H . . 3.690 2.823 2.369 3.684 . 0 0 "[ . 1 . 2]" 1
473 1 58 ARG H 1 58 ARG HB2 . . 3.150 2.410 2.122 2.598 . 0 0 "[ . 1 . 2]" 1
474 1 58 ARG H 1 58 ARG HB3 . . 3.330 2.656 2.446 3.019 . 0 0 "[ . 1 . 2]" 1
475 1 58 ARG H 1 58 ARG QD . . 4.510 4.420 3.902 4.640 0.130 13 0 "[ . 1 . 2]" 1
476 1 58 ARG H 1 58 ARG QG . . 4.060 4.003 3.787 4.099 0.039 19 0 "[ . 1 . 2]" 1
477 1 58 ARG HA 1 58 ARG QD . . 4.070 3.305 2.075 4.103 0.033 13 0 "[ . 1 . 2]" 1
478 1 58 ARG HA 1 58 ARG QG . . 3.960 2.515 2.264 3.082 . 0 0 "[ . 1 . 2]" 1
479 1 58 ARG HA 1 60 ARG H . . 4.710 4.608 4.295 4.754 0.044 14 0 "[ . 1 . 2]" 1
480 1 58 ARG HA 1 61 ALA H . . 3.790 3.366 3.016 3.800 0.010 17 0 "[ . 1 . 2]" 1
481 1 58 ARG HA 1 61 ALA MB . . 3.300 2.446 2.124 3.333 0.033 17 0 "[ . 1 . 2]" 1
482 1 58 ARG HB2 1 58 ARG QD . . 3.820 2.656 2.280 3.543 . 0 0 "[ . 1 . 2]" 1
483 1 58 ARG HB2 1 59 LEU H . . 4.250 3.914 3.684 4.099 . 0 0 "[ . 1 . 2]" 1
484 1 58 ARG HB3 1 59 LEU H . . 3.910 2.865 2.696 3.120 . 0 0 "[ . 1 . 2]" 1
485 1 58 ARG QD 1 59 LEU H . . 5.500 4.765 3.560 5.471 . 0 0 "[ . 1 . 2]" 1
486 1 58 ARG QG 1 59 LEU H . . 5.200 4.174 3.883 4.784 . 0 0 "[ . 1 . 2]" 1
487 1 59 LEU H 1 59 LEU HB2 . . 3.620 2.394 2.051 2.573 . 0 0 "[ . 1 . 2]" 1
488 1 59 LEU H 1 59 LEU QB . . 3.090 2.171 2.030 2.242 . 0 0 "[ . 1 . 2]" 1
489 1 59 LEU H 1 59 LEU HB3 . . 3.620 2.621 2.353 3.270 . 0 0 "[ . 1 . 2]" 1
490 1 59 LEU H 1 59 LEU MD1 . . 4.320 4.242 4.089 4.343 0.023 18 0 "[ . 1 . 2]" 1
491 1 59 LEU H 1 59 LEU MD2 . . 4.320 3.979 2.989 4.294 . 0 0 "[ . 1 . 2]" 1
492 1 59 LEU H 1 59 LEU HG . . 4.980 4.510 4.202 4.596 . 0 0 "[ . 1 . 2]" 1
493 1 59 LEU H 1 60 ARG H . . 3.610 2.821 2.646 2.934 . 0 0 "[ . 1 . 2]" 1
494 1 59 LEU H 1 60 ARG QG . . 5.440 4.623 4.174 5.398 . 0 0 "[ . 1 . 2]" 1
495 1 59 LEU HA 1 59 LEU MD1 . . 4.720 2.991 2.189 3.370 . 0 0 "[ . 1 . 2]" 1
496 1 59 LEU HA 1 59 LEU QD . . 3.510 2.193 1.966 3.057 . 0 0 "[ . 1 . 2]" 1
497 1 59 LEU HA 1 59 LEU MD2 . . 4.720 2.358 2.139 3.866 . 0 0 "[ . 1 . 2]" 1
498 1 59 LEU HA 1 62 TYR H . . 3.860 3.513 3.270 3.879 0.019 14 0 "[ . 1 . 2]" 1
499 1 59 LEU HA 1 62 TYR QB . . 4.530 3.191 2.729 3.934 . 0 0 "[ . 1 . 2]" 1
500 1 59 LEU HA 1 62 TYR QD . . 4.650 2.517 2.194 2.952 . 0 0 "[ . 1 . 2]" 1
501 1 59 LEU QB 1 60 ARG H . . 3.020 2.559 2.344 2.847 . 0 0 "[ . 1 . 2]" 1
502 1 59 LEU QD 1 60 ARG H . . 4.140 3.318 2.847 3.972 . 0 0 "[ . 1 . 2]" 1
503 1 59 LEU QD 1 62 TYR H . . 4.520 4.250 3.970 4.706 0.186 17 0 "[ . 1 . 2]" 1
504 1 59 LEU QD 1 62 TYR QD . . 4.870 3.293 2.617 4.188 . 0 0 "[ . 1 . 2]" 1
505 1 59 LEU MD1 1 60 ARG H . . 5.170 3.561 2.886 5.038 . 0 0 "[ . 1 . 2]" 1
506 1 59 LEU MD1 1 62 TYR H . . 5.500 4.888 4.410 5.536 0.036 5 0 "[ . 1 . 2]" 1
507 1 59 LEU MD2 1 60 ARG H . . 5.170 4.428 3.393 4.846 . 0 0 "[ . 1 . 2]" 1
508 1 59 LEU MD2 1 62 TYR H . . 5.500 4.743 4.227 5.551 0.051 17 0 "[ . 1 . 2]" 1
509 1 60 ARG H 1 60 ARG QB . . 3.290 2.376 2.048 2.652 . 0 0 "[ . 1 . 2]" 1
510 1 60 ARG H 1 60 ARG QD . . 4.030 3.729 3.348 4.154 0.124 18 0 "[ . 1 . 2]" 1
511 1 60 ARG H 1 60 ARG QG . . 3.470 2.519 2.078 3.349 . 0 0 "[ . 1 . 2]" 1
512 1 60 ARG H 1 61 ALA H . . 3.340 2.777 2.541 2.955 . 0 0 "[ . 1 . 2]" 1
513 1 60 ARG H 1 63 ILE MD . . 5.140 4.433 4.011 5.042 . 0 0 "[ . 1 . 2]" 1
514 1 60 ARG HA 1 60 ARG QD . . 4.520 4.219 2.515 4.536 0.016 15 0 "[ . 1 . 2]" 1
515 1 60 ARG HA 1 60 ARG QG . . 3.530 3.008 2.397 3.390 . 0 0 "[ . 1 . 2]" 1
516 1 60 ARG HA 1 63 ILE H . . 4.070 3.776 3.461 4.153 0.083 1 0 "[ . 1 . 2]" 1
517 1 60 ARG HA 1 63 ILE HB . . 3.730 3.307 2.854 3.733 0.003 18 0 "[ . 1 . 2]" 1
518 1 60 ARG HA 1 63 ILE MD . . 3.140 2.773 2.091 3.276 0.136 10 0 "[ . 1 . 2]" 1
519 1 60 ARG QB 1 60 ARG QD . . 3.360 2.255 2.052 2.409 . 0 0 "[ . 1 . 2]" 1
520 1 60 ARG QB 1 61 ALA H . . 3.650 3.258 2.485 3.722 0.072 10 0 "[ . 1 . 2]" 1
521 1 61 ALA H 1 61 ALA MB . . 2.640 2.218 2.187 2.271 . 0 0 "[ . 1 . 2]" 1
522 1 61 ALA H 1 62 TYR H . . 3.220 2.847 2.551 2.975 . 0 0 "[ . 1 . 2]" 1
523 1 61 ALA HA 1 64 ALA MB . . 3.170 2.486 2.181 2.766 . 0 0 "[ . 1 . 2]" 1
524 1 61 ALA MB 1 62 TYR H . . 3.320 2.696 2.561 2.863 . 0 0 "[ . 1 . 2]" 1
525 1 62 TYR H 1 62 TYR QB . . 3.030 2.322 2.242 2.422 . 0 0 "[ . 1 . 2]" 1
526 1 62 TYR H 1 62 TYR QD . . 3.830 3.078 2.632 3.368 . 0 0 "[ . 1 . 2]" 1
527 1 62 TYR H 1 62 TYR QE . . 5.190 4.914 4.731 5.174 . 0 0 "[ . 1 . 2]" 1
528 1 62 TYR H 1 63 ILE H . . 3.460 2.913 2.663 3.142 . 0 0 "[ . 1 . 2]" 1
529 1 62 TYR HA 1 62 TYR QD . . 3.570 2.455 2.222 2.872 . 0 0 "[ . 1 . 2]" 1
530 1 62 TYR HA 1 62 TYR QE . . 4.620 4.396 4.318 4.501 . 0 0 "[ . 1 . 2]" 1
531 1 62 TYR HA 1 65 ALA H . . 3.920 3.454 3.192 3.749 . 0 0 "[ . 1 . 2]" 1
532 1 62 TYR HA 1 65 ALA MB . . 3.030 2.560 2.237 2.885 . 0 0 "[ . 1 . 2]" 1
533 1 62 TYR HA 1 66 GLU H . . 4.290 3.962 3.631 4.238 . 0 0 "[ . 1 . 2]" 1
534 1 62 TYR QB 1 63 ILE H . . 3.530 2.569 2.344 2.771 . 0 0 "[ . 1 . 2]" 1
535 1 62 TYR QD 1 63 ILE H . . 4.770 4.519 4.259 4.679 . 0 0 "[ . 1 . 2]" 1
536 1 62 TYR QD 1 66 GLU H . . 5.080 5.014 4.749 5.149 0.069 2 0 "[ . 1 . 2]" 1
537 1 63 ILE H 1 63 ILE HB . . 2.980 2.398 2.278 2.769 . 0 0 "[ . 1 . 2]" 1
538 1 63 ILE H 1 63 ILE MD . . 2.460 2.182 1.835 2.564 0.104 13 0 "[ . 1 . 2]" 1
539 1 63 ILE H 1 63 ILE QG . . 3.800 2.892 1.864 3.333 . 0 0 "[ . 1 . 2]" 1
540 1 63 ILE H 1 63 ILE MG . . 3.970 3.769 3.711 3.817 . 0 0 "[ . 1 . 2]" 1
541 1 63 ILE H 1 64 ALA H . . 3.440 2.798 2.706 2.920 . 0 0 "[ . 1 . 2]" 1
542 1 63 ILE H 1 65 ALA H . . 4.620 4.048 3.844 4.216 . 0 0 "[ . 1 . 2]" 1
543 1 63 ILE HA 1 63 ILE MD . . 3.800 3.344 2.422 3.802 0.002 17 0 "[ . 1 . 2]" 1
544 1 63 ILE HA 1 63 ILE QG . . 3.690 2.394 2.211 3.255 . 0 0 "[ . 1 . 2]" 1
545 1 63 ILE HA 1 63 ILE MG . . 3.210 2.528 2.348 2.623 . 0 0 "[ . 1 . 2]" 1
546 1 63 ILE HA 1 64 ALA MB . . 5.500 5.026 5.003 5.055 . 0 0 "[ . 1 . 2]" 1
547 1 63 ILE HA 1 65 ALA H . . 4.230 3.871 3.689 4.275 0.045 10 0 "[ . 1 . 2]" 1
548 1 63 ILE HA 1 66 GLU H . . 4.260 3.585 3.243 3.982 . 0 0 "[ . 1 . 2]" 1
549 1 63 ILE HA 1 66 GLU QB . . 4.090 3.454 2.577 4.178 0.088 17 0 "[ . 1 . 2]" 1
550 1 63 ILE HA 1 67 LEU H . . 4.190 3.679 3.301 3.984 . 0 0 "[ . 1 . 2]" 1
551 1 63 ILE HA 1 67 LEU QD . . 4.370 3.624 3.319 3.848 . 0 0 "[ . 1 . 2]" 1
552 1 63 ILE HA 1 72 ARG QG . . 5.500 5.065 4.595 5.528 0.028 12 0 "[ . 1 . 2]" 1
553 1 63 ILE HA 1 75 ALA MB . . 5.500 4.937 4.546 5.246 . 0 0 "[ . 1 . 2]" 1
554 1 63 ILE HB 1 63 ILE MD . . 2.970 2.344 2.182 3.188 0.218 10 0 "[ . 1 . 2]" 1
555 1 63 ILE HB 1 64 ALA H . . 3.280 2.708 2.289 2.922 . 0 0 "[ . 1 . 2]" 1
556 1 63 ILE HB 1 65 ALA H . . 4.760 4.880 4.731 4.960 0.200 1 0 "[ . 1 . 2]" 1
557 1 63 ILE HB 1 67 LEU QD . . 4.870 4.574 4.326 4.862 . 0 0 "[ . 1 . 2]" 1
558 1 63 ILE QG 1 63 ILE MG . . 3.050 2.079 2.021 2.264 . 0 0 "[ . 1 . 2]" 1
559 1 63 ILE MG 1 64 ALA H . . 3.350 3.368 3.269 3.428 0.078 10 0 "[ . 1 . 2]" 1
560 1 63 ILE MG 1 64 ALA MB . . 3.980 3.834 3.585 3.996 0.016 8 0 "[ . 1 . 2]" 1
561 1 63 ILE MG 1 67 LEU H . . 4.190 4.110 3.957 4.249 0.059 15 0 "[ . 1 . 2]" 1
562 1 63 ILE MG 1 67 LEU QB . . 4.450 3.132 2.888 3.390 . 0 0 "[ . 1 . 2]" 1
563 1 63 ILE MG 1 67 LEU QD . . 3.570 2.075 2.008 2.195 . 0 0 "[ . 1 . 2]" 1
564 1 63 ILE MG 1 67 LEU HG . . 4.760 2.944 2.668 3.402 . 0 0 "[ . 1 . 2]" 1
565 1 63 ILE MG 1 72 ARG HA . . 3.510 2.768 2.228 3.285 . 0 0 "[ . 1 . 2]" 1
566 1 63 ILE MG 1 72 ARG QG . . 3.730 2.364 2.081 2.886 . 0 0 "[ . 1 . 2]" 1
567 1 63 ILE MG 1 75 ALA MB . . 2.930 2.256 2.089 2.465 . 0 0 "[ . 1 . 2]" 1
568 1 64 ALA H 1 64 ALA MB . . 2.770 2.211 2.181 2.239 . 0 0 "[ . 1 . 2]" 1
569 1 64 ALA H 1 65 ALA H . . 3.300 2.679 2.526 2.795 . 0 0 "[ . 1 . 2]" 1
570 1 64 ALA HA 1 67 LEU H . . 4.500 3.945 3.561 4.345 . 0 0 "[ . 1 . 2]" 1
571 1 64 ALA HA 1 72 ARG HD2 . . 4.440 2.704 2.253 3.392 . 0 0 "[ . 1 . 2]" 1
572 1 64 ALA HA 1 72 ARG QD . . 3.690 2.670 2.240 3.297 . 0 0 "[ . 1 . 2]" 1
573 1 64 ALA HA 1 72 ARG HD3 . . 4.440 4.239 3.940 4.487 0.047 11 0 "[ . 1 . 2]" 1
574 1 64 ALA HA 1 72 ARG QG . . 3.240 2.628 2.209 3.272 0.032 8 0 "[ . 1 . 2]" 1
575 1 64 ALA MB 1 65 ALA H . . 3.260 3.170 2.798 3.353 0.093 14 0 "[ . 1 . 2]" 1
576 1 64 ALA MB 1 72 ARG HD2 . . 3.710 2.449 2.254 2.605 . 0 0 "[ . 1 . 2]" 1
577 1 64 ALA MB 1 72 ARG HD3 . . 3.710 3.736 3.651 3.781 0.071 3 0 "[ . 1 . 2]" 1
578 1 65 ALA H 1 65 ALA MB . . 2.900 2.342 2.252 2.452 . 0 0 "[ . 1 . 2]" 1
579 1 65 ALA H 1 66 GLU H . . 3.070 2.283 2.044 2.686 . 0 0 "[ . 1 . 2]" 1
580 1 65 ALA MB 1 66 GLU H . . 3.500 2.663 2.285 2.933 . 0 0 "[ . 1 . 2]" 1
581 1 66 GLU H 1 66 GLU HB2 . . 3.850 2.756 2.179 3.673 . 0 0 "[ . 1 . 2]" 1
582 1 66 GLU H 1 66 GLU QB . . 3.350 2.379 2.159 2.560 . 0 0 "[ . 1 . 2]" 1
583 1 66 GLU H 1 66 GLU HB3 . . 3.850 3.259 2.370 3.679 . 0 0 "[ . 1 . 2]" 1
584 1 66 GLU H 1 66 GLU HG2 . . 3.830 2.766 2.144 3.833 0.003 18 0 "[ . 1 . 2]" 1
585 1 66 GLU H 1 66 GLU QG . . 3.360 2.456 2.129 2.915 . 0 0 "[ . 1 . 2]" 1
586 1 66 GLU H 1 66 GLU HG3 . . 3.830 3.437 2.397 3.931 0.101 4 0 "[ . 1 . 2]" 1
587 1 66 GLU H 1 67 LEU H . . 3.450 2.588 2.360 2.891 . 0 0 "[ . 1 . 2]" 1
588 1 66 GLU HA 1 66 GLU HG2 . . 3.910 3.063 2.259 3.714 . 0 0 "[ . 1 . 2]" 1
589 1 66 GLU HA 1 66 GLU QG . . 3.060 2.852 2.213 3.293 0.233 8 0 "[ . 1 . 2]" 1
590 1 66 GLU HA 1 66 GLU HG3 . . 3.910 3.533 2.689 3.829 . 0 0 "[ . 1 . 2]" 1
591 1 66 GLU QB 1 67 LEU H . . 3.440 3.030 2.455 3.601 0.161 13 0 "[ . 1 . 2]" 1
592 1 67 LEU H 1 67 LEU HB2 . . 3.990 2.633 2.538 2.776 . 0 0 "[ . 1 . 2]" 1
593 1 67 LEU H 1 67 LEU QB . . 3.290 2.581 2.492 2.710 . 0 0 "[ . 1 . 2]" 1
594 1 67 LEU H 1 67 LEU HB3 . . 3.990 3.713 3.620 3.788 . 0 0 "[ . 1 . 2]" 1
595 1 67 LEU H 1 67 LEU MD1 . . 4.070 3.932 3.686 4.092 0.022 20 0 "[ . 1 . 2]" 1
596 1 67 LEU H 1 67 LEU QD . . 3.460 3.198 2.940 3.409 . 0 0 "[ . 1 . 2]" 1
597 1 67 LEU H 1 67 LEU MD2 . . 4.070 3.387 3.066 3.652 . 0 0 "[ . 1 . 2]" 1
598 1 67 LEU H 1 67 LEU HG . . 4.210 2.603 2.237 2.918 . 0 0 "[ . 1 . 2]" 1
599 1 67 LEU H 1 68 GLN H . . 4.760 4.547 4.447 4.639 . 0 0 "[ . 1 . 2]" 1
600 1 67 LEU HA 1 67 LEU MD1 . . 4.270 3.830 3.768 3.890 . 0 0 "[ . 1 . 2]" 1
601 1 67 LEU HA 1 67 LEU QD . . 3.290 2.237 2.161 2.363 . 0 0 "[ . 1 . 2]" 1
602 1 67 LEU HA 1 67 LEU MD2 . . 4.270 2.253 2.173 2.383 . 0 0 "[ . 1 . 2]" 1
603 1 67 LEU HA 1 68 GLN H . . 3.060 2.258 2.061 2.629 . 0 0 "[ . 1 . 2]" 1
604 1 67 LEU HA 1 71 ALA MB . . 4.800 3.484 3.261 3.741 . 0 0 "[ . 1 . 2]" 1
605 1 67 LEU QB 1 68 GLN H . . 3.630 2.552 1.952 2.805 . 0 0 "[ . 1 . 2]" 1
606 1 67 LEU QB 1 71 ALA MB . . 5.090 2.147 2.025 2.272 . 0 0 "[ . 1 . 2]" 1
607 1 67 LEU QB 1 72 ARG H . . 3.420 2.904 2.755 3.201 . 0 0 "[ . 1 . 2]" 1
608 1 67 LEU QB 1 72 ARG HA . . 3.840 3.150 2.815 3.592 . 0 0 "[ . 1 . 2]" 1
609 1 67 LEU QB 1 72 ARG QB . . 4.880 2.569 2.217 3.056 . 0 0 "[ . 1 . 2]" 1
610 1 67 LEU QB 1 75 ALA MB . . 5.340 3.919 3.479 4.429 . 0 0 "[ . 1 . 2]" 1
611 1 67 LEU QD 1 68 GLN H . . 3.930 3.497 3.307 3.659 . 0 0 "[ . 1 . 2]" 1
612 1 67 LEU QD 1 72 ARG H . . 4.330 3.562 3.373 3.943 . 0 0 "[ . 1 . 2]" 1
613 1 67 LEU QD 1 72 ARG HA . . 4.030 2.474 2.263 2.980 . 0 0 "[ . 1 . 2]" 1
614 1 67 LEU QD 1 72 ARG QB . . 5.280 3.405 2.735 3.722 . 0 0 "[ . 1 . 2]" 1
615 1 67 LEU QD 1 75 ALA H . . 4.490 3.692 3.396 4.125 . 0 0 "[ . 1 . 2]" 1
616 1 67 LEU QD 1 75 ALA MB . . 3.960 2.168 1.954 2.571 . 0 0 "[ . 1 . 2]" 1
617 1 67 LEU MD1 1 68 GLN H . . 4.560 4.445 3.916 4.644 0.084 6 0 "[ . 1 . 2]" 1
618 1 67 LEU MD1 1 71 ALA MB . . 3.950 2.538 2.278 2.820 . 0 0 "[ . 1 . 2]" 1
619 1 67 LEU MD2 1 68 GLN H . . 4.560 3.668 3.477 3.869 . 0 0 "[ . 1 . 2]" 1
620 1 67 LEU MD2 1 71 ALA MB . . 3.950 2.779 2.472 3.146 . 0 0 "[ . 1 . 2]" 1
621 1 67 LEU HG 1 71 ALA MB . . 5.500 4.492 4.322 4.657 . 0 0 "[ . 1 . 2]" 1
622 1 68 GLN H 1 68 GLN HB2 . . 4.080 2.455 2.283 2.811 . 0 0 "[ . 1 . 2]" 1
623 1 68 GLN H 1 68 GLN QB . . 3.340 2.417 2.257 2.731 . 0 0 "[ . 1 . 2]" 1
624 1 68 GLN H 1 68 GLN HB3 . . 4.080 3.623 3.545 3.742 . 0 0 "[ . 1 . 2]" 1
625 1 68 GLN H 1 68 GLN HE21 . . 4.970 3.085 2.390 4.582 . 0 0 "[ . 1 . 2]" 1
626 1 68 GLN H 1 68 GLN QE . . 4.240 2.823 2.209 4.125 . 0 0 "[ . 1 . 2]" 1
627 1 68 GLN H 1 68 GLN HE22 . . 4.970 3.359 2.599 5.086 0.116 11 0 "[ . 1 . 2]" 1
628 1 68 GLN H 1 68 GLN QG . . 3.680 3.340 2.516 3.777 0.097 4 0 "[ . 1 . 2]" 1
629 1 68 GLN H 1 71 ALA H . . 4.600 4.132 3.688 4.538 . 0 0 "[ . 1 . 2]" 1
630 1 68 GLN H 1 71 ALA MB . . 3.840 2.381 1.904 2.767 . 0 0 "[ . 1 . 2]" 1
631 1 68 GLN H 1 72 ARG QB . . 4.910 4.679 4.072 4.959 0.049 18 0 "[ . 1 . 2]" 1
632 1 68 GLN HA 1 68 GLN HE21 . . 4.970 4.145 2.774 4.623 . 0 0 "[ . 1 . 2]" 1
633 1 68 GLN HA 1 68 GLN QE . . 4.140 3.883 2.627 4.267 0.127 2 0 "[ . 1 . 2]" 1
634 1 68 GLN HA 1 68 GLN HE22 . . 4.970 4.738 3.201 5.049 0.079 8 0 "[ . 1 . 2]" 1
635 1 68 GLN HA 1 68 GLN QG . . 3.670 2.455 2.270 3.315 . 0 0 "[ . 1 . 2]" 1
636 1 68 GLN HA 1 69 GLU H . . 3.460 2.452 2.334 2.634 . 0 0 "[ . 1 . 2]" 1
637 1 68 GLN QB 1 68 GLN QE . . 3.900 2.605 1.989 3.743 . 0 0 "[ . 1 . 2]" 1
638 1 68 GLN QB 1 69 GLU H . . 3.730 2.371 1.900 2.551 . 0 0 "[ . 1 . 2]" 1
639 1 68 GLN QB 1 70 PRO QD . . 4.060 2.463 2.230 2.739 . 0 0 "[ . 1 . 2]" 1
640 1 68 GLN QB 1 71 ALA H . . 4.050 3.302 3.061 3.525 . 0 0 "[ . 1 . 2]" 1
641 1 68 GLN QB 1 71 ALA MB . . 3.850 2.798 2.569 3.042 . 0 0 "[ . 1 . 2]" 1
642 1 68 GLN HB2 1 68 GLN HE22 . . 5.280 4.001 3.594 5.178 . 0 0 "[ . 1 . 2]" 1
643 1 68 GLN HB3 1 68 GLN HE22 . . 5.280 4.980 4.106 5.309 0.029 6 0 "[ . 1 . 2]" 1
644 1 68 GLN QG 1 69 GLU H . . 3.620 3.712 3.604 3.863 0.243 17 0 "[ . 1 . 2]" 1
645 1 69 GLU H 1 69 GLU QB . . 3.760 2.404 2.241 2.600 . 0 0 "[ . 1 . 2]" 1
646 1 69 GLU H 1 69 GLU QG . . 3.500 2.478 2.197 2.813 . 0 0 "[ . 1 . 2]" 1
647 1 69 GLU H 1 70 PRO HG3 . . 5.390 5.395 5.261 5.438 0.048 10 0 "[ . 1 . 2]" 1
648 1 69 GLU H 1 71 ALA MB . . 5.280 4.807 4.504 4.954 . 0 0 "[ . 1 . 2]" 1
649 1 69 GLU H 1 72 ARG H . . 4.930 4.802 4.716 4.956 0.026 9 0 "[ . 1 . 2]" 1
650 1 69 GLU H 1 72 ARG QB . . 5.340 4.666 4.243 5.116 . 0 0 "[ . 1 . 2]" 1
651 1 69 GLU HA 1 69 GLU HG2 . . 3.940 2.589 2.271 3.548 . 0 0 "[ . 1 . 2]" 1
652 1 69 GLU HA 1 69 GLU QG . . 3.370 2.356 2.191 2.708 . 0 0 "[ . 1 . 2]" 1
653 1 69 GLU HA 1 69 GLU HG3 . . 3.940 2.935 2.251 3.751 . 0 0 "[ . 1 . 2]" 1
654 1 69 GLU HA 1 71 ALA H . . 4.700 4.220 4.076 4.564 . 0 0 "[ . 1 . 2]" 1
655 1 69 GLU HA 1 72 ARG H . . 4.030 3.757 3.505 4.018 . 0 0 "[ . 1 . 2]" 1
656 1 69 GLU HA 1 73 GLY H . . 4.840 4.012 3.758 4.173 . 0 0 "[ . 1 . 2]" 1
657 1 70 PRO HA 1 72 ARG H . . 4.610 4.630 4.500 4.698 0.088 5 0 "[ . 1 . 2]" 1
658 1 70 PRO HA 1 73 GLY H . . 4.310 3.313 3.114 3.453 . 0 0 "[ . 1 . 2]" 1
659 1 70 PRO HA 1 74 GLN HE21 . . 5.120 4.237 3.951 4.680 . 0 0 "[ . 1 . 2]" 1
660 1 70 PRO QB 1 74 GLN HE21 . . 3.810 3.304 3.031 3.564 . 0 0 "[ . 1 . 2]" 1
661 1 70 PRO HD2 1 71 ALA H . . 4.000 2.891 2.782 2.957 . 0 0 "[ . 1 . 2]" 1
662 1 70 PRO HD3 1 71 ALA H . . 4.000 4.003 3.946 4.037 0.037 18 0 "[ . 1 . 2]" 1
663 1 70 PRO HG2 1 74 GLN HE21 . . 5.220 4.819 4.631 5.125 . 0 0 "[ . 1 . 2]" 1
664 1 70 PRO HG3 1 71 ALA H . . 4.660 4.285 4.033 4.422 . 0 0 "[ . 1 . 2]" 1
665 1 71 ALA H 1 71 ALA MB . . 3.050 2.206 2.160 2.248 . 0 0 "[ . 1 . 2]" 1
666 1 71 ALA H 1 72 ARG H . . 3.200 2.437 2.290 2.700 . 0 0 "[ . 1 . 2]" 1
667 1 71 ALA H 1 74 GLN HE21 . . 4.960 4.579 4.368 5.029 0.069 16 0 "[ . 1 . 2]" 1
668 1 71 ALA HA 1 74 GLN H . . 3.890 3.439 3.235 3.667 . 0 0 "[ . 1 . 2]" 1
669 1 71 ALA HA 1 74 GLN HE21 . . 4.460 2.914 2.554 3.558 . 0 0 "[ . 1 . 2]" 1
670 1 71 ALA MB 1 72 ARG H . . 2.900 2.553 2.404 2.767 . 0 0 "[ . 1 . 2]" 1
671 1 71 ALA MB 1 73 GLY H . . 4.840 4.525 4.383 4.639 . 0 0 "[ . 1 . 2]" 1
672 1 71 ALA MB 1 74 GLN H . . 4.750 4.585 4.455 4.699 . 0 0 "[ . 1 . 2]" 1
673 1 72 ARG H 1 72 ARG HB2 . . 3.860 2.533 2.387 2.787 . 0 0 "[ . 1 . 2]" 1
674 1 72 ARG H 1 72 ARG QB . . 3.190 2.207 2.122 2.277 . 0 0 "[ . 1 . 2]" 1
675 1 72 ARG H 1 72 ARG HB3 . . 3.860 2.457 2.234 2.668 . 0 0 "[ . 1 . 2]" 1
676 1 72 ARG H 1 72 ARG HD2 . . 5.190 4.982 4.799 5.227 0.037 11 0 "[ . 1 . 2]" 1
677 1 72 ARG H 1 72 ARG QD . . 4.510 4.292 3.886 4.499 . 0 0 "[ . 1 . 2]" 1
678 1 72 ARG H 1 72 ARG HD3 . . 5.190 4.720 4.088 5.200 0.010 1 0 "[ . 1 . 2]" 1
679 1 72 ARG H 1 72 ARG QG . . 4.820 4.017 3.957 4.119 . 0 0 "[ . 1 . 2]" 1
680 1 72 ARG H 1 73 GLY H . . 3.480 2.735 2.641 2.834 . 0 0 "[ . 1 . 2]" 1
681 1 72 ARG HA 1 72 ARG HD2 . . 4.860 4.693 4.501 4.916 0.056 11 0 "[ . 1 . 2]" 1
682 1 72 ARG HA 1 72 ARG QD . . 4.210 4.079 3.813 4.162 . 0 0 "[ . 1 . 2]" 1
683 1 72 ARG HA 1 72 ARG HD3 . . 4.860 4.517 4.011 4.733 . 0 0 "[ . 1 . 2]" 1
684 1 72 ARG HA 1 72 ARG QG . . 3.760 2.524 2.399 2.670 . 0 0 "[ . 1 . 2]" 1
685 1 72 ARG HA 1 75 ALA H . . 4.420 3.309 3.043 3.514 . 0 0 "[ . 1 . 2]" 1
686 1 72 ARG HA 1 75 ALA MB . . 4.110 2.331 2.142 2.467 . 0 0 "[ . 1 . 2]" 1
687 1 72 ARG QB 1 72 ARG QD . . 3.090 2.135 2.008 2.198 . 0 0 "[ . 1 . 2]" 1
688 1 72 ARG QB 1 73 GLY H . . 3.580 2.591 2.427 2.898 . 0 0 "[ . 1 . 2]" 1
689 1 72 ARG QB 1 75 ALA H . . 5.340 5.028 4.841 5.129 . 0 0 "[ . 1 . 2]" 1
690 1 72 ARG QD 1 73 GLY H . . 4.560 3.858 3.034 4.445 . 0 0 "[ . 1 . 2]" 1
691 1 72 ARG QD 1 73 GLY HA2 . . 5.210 4.439 3.374 5.091 . 0 0 "[ . 1 . 2]" 1
692 1 72 ARG QG 1 73 GLY H . . 4.470 3.799 3.503 4.139 . 0 0 "[ . 1 . 2]" 1
693 1 73 GLY H 1 74 GLN H . . 3.520 2.952 2.897 3.050 . 0 0 "[ . 1 . 2]" 1
694 1 73 GLY HA2 1 76 LEU H . . 4.000 3.983 3.689 4.067 0.067 6 0 "[ . 1 . 2]" 1
695 1 73 GLY HA2 1 76 LEU QB . . 4.670 3.621 2.832 4.164 . 0 0 "[ . 1 . 2]" 1
696 1 73 GLY HA2 1 76 LEU QD . . 3.650 2.188 2.046 2.411 . 0 0 "[ . 1 . 2]" 1
697 1 73 GLY HA3 1 76 LEU QD . . 3.680 3.671 3.437 3.908 0.228 7 0 "[ . 1 . 2]" 1
698 1 74 GLN H 1 74 GLN HB2 . . 3.250 2.332 2.167 2.419 . 0 0 "[ . 1 . 2]" 1
699 1 74 GLN H 1 74 GLN HB3 . . 3.740 3.601 3.483 3.657 . 0 0 "[ . 1 . 2]" 1
700 1 74 GLN H 1 74 GLN HE21 . . 4.460 3.694 3.205 3.959 . 0 0 "[ . 1 . 2]" 1
701 1 74 GLN H 1 74 GLN HG2 . . 4.020 3.960 3.823 4.075 0.055 6 0 "[ . 1 . 2]" 1
702 1 74 GLN H 1 74 GLN HG3 . . 4.020 2.804 2.595 3.967 . 0 0 "[ . 1 . 2]" 1
703 1 74 GLN H 1 75 ALA H . . 3.390 2.350 2.148 2.572 . 0 0 "[ . 1 . 2]" 1
704 1 74 GLN H 1 75 ALA MB . . 4.140 3.995 3.798 4.179 0.039 16 0 "[ . 1 . 2]" 1
705 1 74 GLN HA 1 74 GLN HE21 . . 5.190 4.903 4.660 5.047 . 0 0 "[ . 1 . 2]" 1
706 1 74 GLN HA 1 74 GLN HG2 . . 3.490 2.598 2.455 3.567 0.077 16 0 "[ . 1 . 2]" 1
707 1 74 GLN HA 1 74 GLN QG . . 2.730 2.372 2.291 2.468 . 0 0 "[ . 1 . 2]" 1
708 1 74 GLN HA 1 74 GLN HG3 . . 3.490 2.829 2.319 2.941 . 0 0 "[ . 1 . 2]" 1
709 1 74 GLN HB2 1 74 GLN HE21 . . 3.160 3.022 2.715 3.237 0.077 4 0 "[ . 1 . 2]" 1
710 1 74 GLN HB2 1 75 ALA H . . 3.450 2.771 2.580 2.961 . 0 0 "[ . 1 . 2]" 1
711 1 74 GLN HB3 1 74 GLN HE21 . . 4.160 4.106 3.901 4.257 0.097 4 0 "[ . 1 . 2]" 1
712 1 74 GLN HB3 1 75 ALA H . . 4.010 3.636 3.324 3.796 . 0 0 "[ . 1 . 2]" 1
713 1 74 GLN QG 1 75 ALA H . . 4.410 4.289 4.216 4.529 0.119 16 0 "[ . 1 . 2]" 1
714 1 74 GLN HG2 1 75 ALA H . . 5.230 5.165 5.120 5.241 0.011 5 0 "[ . 1 . 2]" 1
715 1 74 GLN HG3 1 75 ALA H . . 5.230 4.586 4.484 5.046 . 0 0 "[ . 1 . 2]" 1
716 1 75 ALA H 1 75 ALA MB . . 2.970 2.201 2.182 2.213 . 0 0 "[ . 1 . 2]" 1
717 1 75 ALA H 1 76 LEU H . . 3.360 2.841 2.751 2.932 . 0 0 "[ . 1 . 2]" 1
718 1 75 ALA H 1 77 ALA H . . 4.460 4.502 4.380 4.566 0.106 2 0 "[ . 1 . 2]" 1
719 1 75 ALA HA 1 78 LEU H . . 4.530 3.463 3.146 3.742 . 0 0 "[ . 1 . 2]" 1
720 1 75 ALA HA 1 78 LEU QD . . 4.090 2.476 2.128 3.765 . 0 0 "[ . 1 . 2]" 1
721 1 75 ALA MB 1 76 LEU H . . 3.320 2.800 2.619 2.979 . 0 0 "[ . 1 . 2]" 1
722 1 76 LEU H 1 76 LEU HB2 . . 3.540 2.748 2.224 3.602 0.062 11 0 "[ . 1 . 2]" 1
723 1 76 LEU H 1 76 LEU QB . . 2.910 2.304 2.202 2.406 . 0 0 "[ . 1 . 2]" 1
724 1 76 LEU H 1 76 LEU HB3 . . 3.540 3.151 2.384 3.582 0.042 20 0 "[ . 1 . 2]" 1
725 1 76 LEU H 1 76 LEU MD1 . . 4.300 3.635 3.330 3.957 . 0 0 "[ . 1 . 2]" 1
726 1 76 LEU H 1 76 LEU QD . . 3.570 3.177 2.989 3.295 . 0 0 "[ . 1 . 2]" 1
727 1 76 LEU H 1 76 LEU MD2 . . 4.300 3.620 3.100 3.993 . 0 0 "[ . 1 . 2]" 1
728 1 76 LEU H 1 76 LEU HG . . 3.180 2.558 2.385 2.789 . 0 0 "[ . 1 . 2]" 1
729 1 76 LEU H 1 77 ALA H . . 3.450 2.898 2.784 2.968 . 0 0 "[ . 1 . 2]" 1
730 1 76 LEU HA 1 76 LEU QD . . 3.310 2.592 2.094 3.448 0.138 17 0 "[ . 1 . 2]" 1
731 1 76 LEU HA 1 76 LEU HG . . 3.690 3.088 2.555 3.754 0.064 19 0 "[ . 1 . 2]" 1
732 1 76 LEU HA 1 79 MET H . . 3.900 3.204 2.872 3.630 . 0 0 "[ . 1 . 2]" 1
733 1 76 LEU HA 1 79 MET QG . . 4.070 2.640 1.998 4.070 0.000 2 0 "[ . 1 . 2]" 1
734 1 76 LEU QB 1 76 LEU QD . . 2.420 1.934 1.909 1.950 . 0 0 "[ . 1 . 2]" 1
735 1 76 LEU QB 1 77 ALA H . . 3.710 3.183 2.744 3.777 0.067 8 0 "[ . 1 . 2]" 1
736 1 76 LEU HB2 1 76 LEU MD1 . . 3.280 2.286 2.262 2.316 . 0 0 "[ . 1 . 2]" 1
737 1 76 LEU HB2 1 76 LEU MD2 . . 3.280 3.014 2.574 3.259 . 0 0 "[ . 1 . 2]" 1
738 1 76 LEU HB3 1 76 LEU MD1 . . 3.280 2.742 2.407 3.225 . 0 0 "[ . 1 . 2]" 1
739 1 76 LEU HB3 1 76 LEU MD2 . . 3.280 2.276 2.168 2.378 . 0 0 "[ . 1 . 2]" 1
740 1 76 LEU QD 1 77 ALA H . . 4.620 3.847 2.787 4.413 . 0 0 "[ . 1 . 2]" 1
741 1 77 ALA H 1 77 ALA MB . . 2.850 2.216 2.194 2.240 . 0 0 "[ . 1 . 2]" 1
742 1 77 ALA H 1 78 LEU QD . . 4.830 4.323 3.437 5.072 0.242 7 0 "[ . 1 . 2]" 1
743 1 77 ALA HA 1 79 MET H . . 4.570 4.414 3.776 4.605 0.035 18 0 "[ . 1 . 2]" 1
744 1 77 ALA HA 1 80 GLN H . . 4.280 3.541 3.339 3.881 . 0 0 "[ . 1 . 2]" 1
745 1 77 ALA HA 1 80 GLN HB2 . . 3.750 2.792 2.320 3.382 . 0 0 "[ . 1 . 2]" 1
746 1 77 ALA MB 1 78 LEU H . . 3.270 2.681 2.524 2.864 . 0 0 "[ . 1 . 2]" 1
747 1 78 LEU H 1 78 LEU QB . . 3.310 2.438 2.289 2.620 . 0 0 "[ . 1 . 2]" 1
748 1 78 LEU H 1 78 LEU MD1 . . 4.120 3.209 2.018 3.803 . 0 0 "[ . 1 . 2]" 1
749 1 78 LEU H 1 78 LEU QD . . 3.320 2.761 1.974 3.264 . 0 0 "[ . 1 . 2]" 1
750 1 78 LEU H 1 78 LEU MD2 . . 4.120 3.516 1.981 4.164 0.044 5 0 "[ . 1 . 2]" 1
751 1 78 LEU H 1 78 LEU HG . . 3.570 2.615 2.022 3.641 0.071 12 0 "[ . 1 . 2]" 1
752 1 78 LEU H 1 79 MET H . . 3.780 2.588 2.286 2.829 . 0 0 "[ . 1 . 2]" 1
753 1 78 LEU HA 1 78 LEU MD1 . . 3.960 3.694 2.312 3.992 0.032 13 0 "[ . 1 . 2]" 1
754 1 78 LEU HA 1 78 LEU QD . . 3.460 2.416 2.134 3.073 . 0 0 "[ . 1 . 2]" 1
755 1 78 LEU HA 1 78 LEU MD2 . . 3.960 2.530 2.144 3.318 . 0 0 "[ . 1 . 2]" 1
756 1 78 LEU HA 1 78 LEU HG . . 3.890 2.997 2.431 3.833 . 0 0 "[ . 1 . 2]" 1
757 1 78 LEU HA 1 81 GLN H . . 3.950 3.778 3.452 4.055 0.105 10 0 "[ . 1 . 2]" 1
758 1 78 LEU HA 1 81 GLN QB . . 4.090 3.364 2.800 4.016 . 0 0 "[ . 1 . 2]" 1
759 1 78 LEU QB 1 78 LEU QD . . 2.730 1.947 1.888 2.087 . 0 0 "[ . 1 . 2]" 1
760 1 78 LEU QB 1 79 MET H . . 3.380 2.712 2.429 3.272 . 0 0 "[ . 1 . 2]" 1
761 1 78 LEU QD 1 79 MET H . . 4.300 4.051 3.655 4.411 0.111 19 0 "[ . 1 . 2]" 1
762 1 78 LEU HG 1 79 MET H . . 4.680 4.550 4.047 4.786 0.106 14 0 "[ . 1 . 2]" 1
763 1 79 MET H 1 79 MET HB2 . . 3.800 2.851 2.427 3.722 . 0 0 "[ . 1 . 2]" 1
764 1 79 MET H 1 79 MET QB . . 3.240 2.552 2.393 2.728 . 0 0 "[ . 1 . 2]" 1
765 1 79 MET H 1 79 MET HB3 . . 3.800 3.420 2.593 3.703 . 0 0 "[ . 1 . 2]" 1
766 1 79 MET H 1 79 MET QG . . 3.250 2.334 2.092 3.172 . 0 0 "[ . 1 . 2]" 1
767 1 79 MET H 1 80 GLN H . . 3.620 2.725 2.415 2.924 . 0 0 "[ . 1 . 2]" 1
768 1 79 MET HA 1 79 MET HG2 . . 4.190 3.069 2.425 3.860 . 0 0 "[ . 1 . 2]" 1
769 1 79 MET HA 1 79 MET HG3 . . 4.190 3.369 2.324 3.841 . 0 0 "[ . 1 . 2]" 1
770 1 79 MET QB 1 79 MET QG . . 2.330 2.077 1.986 2.117 . 0 0 "[ . 1 . 2]" 1
771 1 79 MET QB 1 80 GLN H . . 3.820 2.887 2.256 3.885 0.065 6 0 "[ . 1 . 2]" 1
772 1 79 MET QB 1 80 GLN HE21 . . 4.840 3.291 2.121 4.462 . 0 0 "[ . 1 . 2]" 1
773 1 80 GLN H 1 80 GLN HB2 . . 2.870 2.197 2.076 2.613 . 0 0 "[ . 1 . 2]" 1
774 1 80 GLN H 1 80 GLN HB3 . . 3.630 3.465 3.302 3.645 0.015 15 0 "[ . 1 . 2]" 1
775 1 80 GLN H 1 80 GLN HE21 . . 3.500 2.741 2.164 3.099 . 0 0 "[ . 1 . 2]" 1
776 1 80 GLN H 1 80 GLN HE22 . . 3.550 3.531 3.096 3.760 0.210 20 0 "[ . 1 . 2]" 1
777 1 80 GLN H 1 80 GLN QG . . 3.700 3.556 2.132 3.787 0.087 8 0 "[ . 1 . 2]" 1
778 1 80 GLN HA 1 80 GLN HE21 . . 4.600 2.202 1.913 3.037 . 0 0 "[ . 1 . 2]" 1
779 1 80 GLN HA 1 80 GLN HE22 . . 4.350 3.714 3.084 4.011 . 0 0 "[ . 1 . 2]" 1
780 1 80 GLN HA 1 80 GLN QG . . 3.480 2.387 2.129 3.121 . 0 0 "[ . 1 . 2]" 1
781 1 80 GLN HA 1 83 ILE H . . 3.940 3.312 3.178 3.388 . 0 0 "[ . 1 . 2]" 1
782 1 80 GLN HA 1 83 ILE HB . . 3.350 2.266 2.033 2.643 . 0 0 "[ . 1 . 2]" 1
783 1 80 GLN HA 1 83 ILE MD . . 2.920 2.239 2.066 2.404 . 0 0 "[ . 1 . 2]" 1
784 1 80 GLN HB2 1 80 GLN HE21 . . 4.290 3.381 2.478 3.830 . 0 0 "[ . 1 . 2]" 1
785 1 80 GLN HB2 1 80 GLN HE22 . . 4.700 4.127 3.477 4.891 0.191 20 0 "[ . 1 . 2]" 1
786 1 80 GLN HB2 1 83 ILE MD . . 4.490 4.513 4.352 4.560 0.070 12 0 "[ . 1 . 2]" 1
787 1 80 GLN HB3 1 80 GLN HE22 . . 5.100 4.998 4.447 5.124 0.024 9 0 "[ . 1 . 2]" 1
788 1 80 GLN HE21 1 81 GLN H . . 5.020 4.984 4.530 5.087 0.067 5 0 "[ . 1 . 2]" 1
789 1 80 GLN HE21 1 83 ILE HB . . 5.110 3.739 3.295 4.670 . 0 0 "[ . 1 . 2]" 1
790 1 80 GLN HE21 1 83 ILE MD . . 4.030 2.140 1.812 2.778 . 0 0 "[ . 1 . 2]" 1
791 1 80 GLN HE21 1 83 ILE MG . . 4.480 4.087 3.601 4.586 0.106 15 0 "[ . 1 . 2]" 1
792 1 80 GLN HE22 1 80 GLN QG . . 3.820 3.413 3.261 3.510 . 0 0 "[ . 1 . 2]" 1
793 1 80 GLN HE22 1 83 ILE MD . . 3.870 3.082 1.881 3.877 0.007 3 0 "[ . 1 . 2]" 1
794 1 80 GLN QG 1 83 ILE MD . . 3.590 3.527 2.817 3.781 0.191 15 0 "[ . 1 . 2]" 1
795 1 81 GLN H 1 81 GLN QB . . 3.180 2.067 1.990 2.211 . 0 0 "[ . 1 . 2]" 1
796 1 81 GLN H 1 81 GLN QE . . 5.210 4.928 4.539 5.241 0.031 5 0 "[ . 1 . 2]" 1
797 1 81 GLN H 1 81 GLN QG . . 4.100 3.689 3.296 4.042 . 0 0 "[ . 1 . 2]" 1
798 1 81 GLN H 1 82 TYR H . . 3.850 2.968 2.819 3.089 . 0 0 "[ . 1 . 2]" 1
799 1 81 GLN HA 1 81 GLN HE21 . . 4.400 2.639 1.969 3.049 . 0 0 "[ . 1 . 2]" 1
800 1 81 GLN HA 1 81 GLN QE . . 3.610 2.594 1.960 2.953 . 0 0 "[ . 1 . 2]" 1
801 1 81 GLN HA 1 81 GLN HE22 . . 4.400 3.939 3.346 4.552 0.152 3 0 "[ . 1 . 2]" 1
802 1 81 GLN HA 1 81 GLN QG . . 3.400 2.434 2.140 3.127 . 0 0 "[ . 1 . 2]" 1
803 1 81 GLN HA 1 84 ASP H . . 3.820 3.716 3.482 3.861 0.041 2 0 "[ . 1 . 2]" 1
804 1 81 GLN QB 1 81 GLN HE22 . . 4.580 4.115 3.641 4.403 . 0 0 "[ . 1 . 2]" 1
805 1 81 GLN QB 1 82 TYR H . . 3.710 2.623 2.408 2.909 . 0 0 "[ . 1 . 2]" 1
806 1 81 GLN QB 1 84 ASP H . . 5.080 5.177 5.090 5.263 0.183 2 0 "[ . 1 . 2]" 1
807 1 81 GLN QE 1 82 TYR HA . . 5.040 4.218 3.118 5.063 0.023 16 0 "[ . 1 . 2]" 1
808 1 81 GLN QE 1 85 TYR H . . 4.680 3.994 3.510 4.467 . 0 0 "[ . 1 . 2]" 1
809 1 81 GLN QE 1 85 TYR QD . . 4.090 2.405 2.021 2.880 . 0 0 "[ . 1 . 2]" 1
810 1 81 GLN QE 1 89 LEU QB . . 4.420 3.987 2.680 4.444 0.024 16 0 "[ . 1 . 2]" 1
811 1 81 GLN QE 1 89 LEU QD . . 3.310 2.341 1.756 4.159 0.849 3 1 "[ + . 1 . 2]" 1
812 1 81 GLN QE 1 89 LEU HG . . 4.720 3.998 2.201 4.747 0.027 16 0 "[ . 1 . 2]" 1
813 1 81 GLN HE21 1 85 TYR H . . 5.500 4.402 3.587 5.200 . 0 0 "[ . 1 . 2]" 1
814 1 81 GLN HE21 1 85 TYR QB . . 5.130 4.653 3.765 5.165 0.035 12 0 "[ . 1 . 2]" 1
815 1 81 GLN HE21 1 89 LEU QB . . 5.030 4.420 3.149 5.059 0.029 14 0 "[ . 1 . 2]" 1
816 1 81 GLN HE21 1 89 LEU HG . . 5.500 4.372 2.980 5.226 . 0 0 "[ . 1 . 2]" 1
817 1 81 GLN HE22 1 85 TYR H . . 5.500 4.767 4.188 5.518 0.018 3 0 "[ . 1 . 2]" 1
818 1 81 GLN HE22 1 85 TYR QB . . 5.130 4.431 3.925 5.169 0.039 14 0 "[ . 1 . 2]" 1
819 1 81 GLN HE22 1 89 LEU QB . . 5.030 4.648 2.903 5.142 0.112 5 0 "[ . 1 . 2]" 1
820 1 81 GLN HE22 1 89 LEU HG . . 5.500 4.728 2.267 5.571 0.071 6 0 "[ . 1 . 2]" 1
821 1 81 GLN QG 1 82 TYR H . . 4.480 4.426 3.467 4.591 0.111 15 0 "[ . 1 . 2]" 1
822 1 82 TYR H 1 82 TYR QB . . 3.380 2.582 2.395 2.776 . 0 0 "[ . 1 . 2]" 1
823 1 82 TYR H 1 82 TYR QD . . 4.100 2.729 2.385 2.942 . 0 0 "[ . 1 . 2]" 1
824 1 82 TYR H 1 82 TYR QE . . 5.500 4.363 3.833 4.828 . 0 0 "[ . 1 . 2]" 1
825 1 82 TYR H 1 83 ILE H . . 3.520 2.504 2.304 2.715 . 0 0 "[ . 1 . 2]" 1
826 1 82 TYR HA 1 82 TYR QD . . 4.050 3.197 2.562 3.708 . 0 0 "[ . 1 . 2]" 1
827 1 82 TYR HA 1 85 TYR QB . . 4.530 2.569 2.266 3.154 . 0 0 "[ . 1 . 2]" 1
828 1 82 TYR HA 1 85 TYR QD . . 4.250 2.963 2.423 3.651 . 0 0 "[ . 1 . 2]" 1
829 1 82 TYR QB 1 83 ILE H . . 3.770 3.254 2.500 3.789 0.019 2 0 "[ . 1 . 2]" 1
830 1 82 TYR QD 1 83 ILE H . . 4.120 3.751 3.436 4.051 . 0 0 "[ . 1 . 2]" 1
831 1 82 TYR QD 1 83 ILE MD . . 4.220 4.283 4.226 4.354 0.134 15 0 "[ . 1 . 2]" 1
832 1 83 ILE H 1 83 ILE HB . . 3.280 2.342 2.167 2.453 . 0 0 "[ . 1 . 2]" 1
833 1 83 ILE H 1 83 ILE MD . . 3.720 3.284 2.996 3.564 . 0 0 "[ . 1 . 2]" 1
834 1 83 ILE H 1 83 ILE HG12 . . 3.830 3.794 3.575 3.891 0.061 10 0 "[ . 1 . 2]" 1
835 1 83 ILE H 1 83 ILE QG . . 3.300 2.400 2.256 2.503 . 0 0 "[ . 1 . 2]" 1
836 1 83 ILE H 1 83 ILE HG13 . . 3.830 2.427 2.281 2.534 . 0 0 "[ . 1 . 2]" 1
837 1 83 ILE H 1 83 ILE MG . . 3.780 3.753 3.670 3.788 0.008 6 0 "[ . 1 . 2]" 1
838 1 83 ILE H 1 84 ASP H . . 3.220 2.603 2.446 2.774 . 0 0 "[ . 1 . 2]" 1
839 1 83 ILE HA 1 83 ILE MD . . 3.880 3.884 3.837 3.911 0.031 6 0 "[ . 1 . 2]" 1
840 1 83 ILE HA 1 83 ILE HG12 . . 3.820 2.691 2.610 2.861 . 0 0 "[ . 1 . 2]" 1
841 1 83 ILE HA 1 83 ILE QG . . 3.320 2.413 2.358 2.463 . 0 0 "[ . 1 . 2]" 1
842 1 83 ILE HA 1 83 ILE HG13 . . 3.820 2.741 2.551 3.022 . 0 0 "[ . 1 . 2]" 1
843 1 83 ILE HA 1 83 ILE MG . . 3.350 2.523 2.433 2.677 . 0 0 "[ . 1 . 2]" 1
844 1 83 ILE HA 1 85 TYR H . . 4.800 4.345 4.140 4.604 . 0 0 "[ . 1 . 2]" 1
845 1 83 ILE HA 1 86 LYS H . . 5.090 3.727 3.329 4.086 . 0 0 "[ . 1 . 2]" 1
846 1 83 ILE HB 1 83 ILE MD . . 2.760 2.312 2.265 2.398 . 0 0 "[ . 1 . 2]" 1
847 1 83 ILE HB 1 84 ASP H . . 3.540 2.662 2.523 2.822 . 0 0 "[ . 1 . 2]" 1
848 1 83 ILE MD 1 83 ILE MG . . 2.550 2.207 2.127 2.360 . 0 0 "[ . 1 . 2]" 1
849 1 83 ILE QG 1 83 ILE MG . . 3.040 2.281 2.205 2.355 . 0 0 "[ . 1 . 2]" 1
850 1 83 ILE HG12 1 83 ILE MG . . 3.550 2.332 2.249 2.417 . 0 0 "[ . 1 . 2]" 1
851 1 83 ILE HG13 1 83 ILE MG . . 3.550 3.224 3.177 3.255 . 0 0 "[ . 1 . 2]" 1
852 1 83 ILE MG 1 84 ASP H . . 3.740 3.319 3.137 3.485 . 0 0 "[ . 1 . 2]" 1
853 1 83 ILE MG 1 87 LYS QE . . 4.390 3.765 2.181 4.444 0.054 7 0 "[ . 1 . 2]" 1
854 1 84 ASP H 1 84 ASP QB . . 3.500 2.319 2.142 2.514 . 0 0 "[ . 1 . 2]" 1
855 1 84 ASP H 1 85 TYR H . . 3.640 2.751 2.617 2.915 . 0 0 "[ . 1 . 2]" 1
856 1 84 ASP H 1 89 LEU HG . . 5.310 5.167 4.646 5.386 0.076 12 0 "[ . 1 . 2]" 1
857 1 84 ASP HA 1 88 GLU H . . 4.480 3.260 2.366 4.609 0.129 16 0 "[ . 1 . 2]" 1
858 1 84 ASP QB 1 85 TYR H . . 3.650 2.907 2.461 3.360 . 0 0 "[ . 1 . 2]" 1
859 1 85 TYR H 1 85 TYR QB . . 2.950 2.099 1.991 2.265 . 0 0 "[ . 1 . 2]" 1
860 1 85 TYR H 1 85 TYR QD . . 3.950 3.399 3.194 3.643 . 0 0 "[ . 1 . 2]" 1
861 1 85 TYR H 1 85 TYR QE . . 5.500 5.399 5.074 5.557 0.057 17 0 "[ . 1 . 2]" 1
862 1 85 TYR HA 1 85 TYR QD . . 3.240 2.563 2.288 3.010 . 0 0 "[ . 1 . 2]" 1
863 1 85 TYR HA 1 85 TYR QE . . 4.530 4.349 4.213 4.505 . 0 0 "[ . 1 . 2]" 1
864 1 85 TYR QB 1 89 LEU QD . . 4.730 3.800 2.989 4.931 0.201 12 0 "[ . 1 . 2]" 1
865 1 86 LYS H 1 86 LYS QB . . 3.180 2.477 2.256 2.657 . 0 0 "[ . 1 . 2]" 1
866 1 86 LYS H 1 86 LYS QD . . 3.460 2.922 2.306 3.524 0.064 11 0 "[ . 1 . 2]" 1
867 1 86 LYS H 1 86 LYS QE . . 4.630 4.520 3.642 4.726 0.096 19 0 "[ . 1 . 2]" 1
868 1 86 LYS H 1 86 LYS QG . . 3.690 3.211 2.184 3.783 0.093 16 0 "[ . 1 . 2]" 1
869 1 86 LYS HA 1 86 LYS QD . . 3.280 2.679 2.193 3.323 0.043 15 0 "[ . 1 . 2]" 1
870 1 86 LYS HA 1 86 LYS QE . . 4.470 3.966 2.566 4.651 0.181 16 0 "[ . 1 . 2]" 1
871 1 86 LYS HA 1 86 LYS QG . . 3.430 2.708 2.164 3.250 . 0 0 "[ . 1 . 2]" 1
872 1 86 LYS QB 1 86 LYS QD . . 3.260 2.598 2.304 2.973 . 0 0 "[ . 1 . 2]" 1
873 1 86 LYS QB 1 86 LYS QE . . 4.390 3.222 1.995 3.919 . 0 0 "[ . 1 . 2]" 1
874 1 86 LYS QB 1 87 LYS H . . 4.030 3.200 2.550 3.546 . 0 0 "[ . 1 . 2]" 1
875 1 87 LYS H 1 87 LYS QB . . 3.260 2.694 2.193 3.351 0.091 16 0 "[ . 1 . 2]" 1
876 1 87 LYS H 1 87 LYS QD . . 4.680 4.534 3.198 4.802 0.122 14 0 "[ . 1 . 2]" 1
877 1 87 LYS H 1 87 LYS QE . . 5.010 4.425 3.249 5.033 0.023 11 0 "[ . 1 . 2]" 1
878 1 87 LYS H 1 87 LYS QG . . 3.960 3.342 2.286 4.081 0.121 18 0 "[ . 1 . 2]" 1
879 1 87 LYS HA 1 87 LYS QD . . 4.340 4.212 3.884 4.447 0.107 4 0 "[ . 1 . 2]" 1
880 1 87 LYS HA 1 87 LYS QE . . 4.460 4.366 4.041 4.559 0.099 9 0 "[ . 1 . 2]" 1
881 1 87 LYS HA 1 87 LYS QG . . 3.410 2.761 2.270 3.426 0.016 19 0 "[ . 1 . 2]" 1
882 1 87 LYS QB 1 87 LYS QD . . 2.940 2.329 2.181 2.482 . 0 0 "[ . 1 . 2]" 1
883 1 87 LYS QB 1 87 LYS QE . . 4.410 2.160 1.958 2.886 . 0 0 "[ . 1 . 2]" 1
884 1 87 LYS QE 1 87 LYS QG . . 3.370 2.449 2.104 2.883 . 0 0 "[ . 1 . 2]" 1
885 1 87 LYS QE 1 88 GLU H . . 4.200 3.973 2.676 4.295 0.095 10 0 "[ . 1 . 2]" 1
886 1 88 GLU H 1 88 GLU QB . . 3.380 2.830 2.162 3.335 . 0 0 "[ . 1 . 2]" 1
887 1 88 GLU H 1 88 GLU QG . . 4.330 3.869 2.580 4.392 0.062 13 0 "[ . 1 . 2]" 1
888 1 88 GLU HA 1 88 GLU QG . . 3.460 2.688 2.227 3.489 0.029 14 0 "[ . 1 . 2]" 1
889 1 88 GLU HA 1 89 LEU H . . 3.510 2.724 2.157 3.578 0.068 11 0 "[ . 1 . 2]" 1
890 1 88 GLU QB 1 89 LEU H . . 4.190 3.175 2.392 4.132 . 0 0 "[ . 1 . 2]" 1
891 1 88 GLU HB2 1 89 LEU H . . 4.860 3.793 2.633 4.687 . 0 0 "[ . 1 . 2]" 1
892 1 88 GLU HB3 1 89 LEU H . . 4.860 3.654 2.416 4.592 . 0 0 "[ . 1 . 2]" 1
893 1 88 GLU QG 1 89 LEU H . . 4.260 3.565 2.326 4.408 0.148 5 0 "[ . 1 . 2]" 1
894 1 89 LEU H 1 89 LEU QB . . 3.510 2.456 2.213 2.690 . 0 0 "[ . 1 . 2]" 1
895 1 89 LEU H 1 89 LEU MD1 . . 4.230 2.962 1.867 4.031 . 0 0 "[ . 1 . 2]" 1
896 1 89 LEU H 1 89 LEU QD . . 3.470 2.539 1.864 3.529 0.059 20 0 "[ . 1 . 2]" 1
897 1 89 LEU H 1 89 LEU MD2 . . 4.230 3.672 1.944 4.274 0.044 20 0 "[ . 1 . 2]" 1
898 1 89 LEU H 1 89 LEU HG . . 3.690 3.112 2.204 3.800 0.110 3 0 "[ . 1 . 2]" 1
899 1 89 LEU HA 1 89 LEU QB . . 2.740 2.373 2.282 2.505 . 0 0 "[ . 1 . 2]" 1
900 1 89 LEU HA 1 89 LEU MD1 . . 4.010 3.447 2.251 3.931 . 0 0 "[ . 1 . 2]" 1
901 1 89 LEU HA 1 89 LEU MD2 . . 4.010 2.900 2.168 3.807 . 0 0 "[ . 1 . 2]" 1
902 1 89 LEU HA 1 89 LEU HG . . 4.070 2.901 2.449 3.826 . 0 0 "[ . 1 . 2]" 1
903 1 89 LEU QB 1 89 LEU MD1 . . 2.830 2.191 2.084 2.404 . 0 0 "[ . 1 . 2]" 1
904 1 89 LEU QB 1 89 LEU QD . . 2.400 1.955 1.899 2.086 . 0 0 "[ . 1 . 2]" 1
905 1 89 LEU QB 1 89 LEU MD2 . . 2.830 2.230 2.051 2.510 . 0 0 "[ . 1 . 2]" 1
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