NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446399 |
2klx   |
16403 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2klx
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 1083
_Distance_constraint_stats_list.Viol_count 1100
_Distance_constraint_stats_list.Viol_total 926.483
_Distance_constraint_stats_list.Viol_max 0.533
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0421
_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 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.033 0.022 8 0 "[ . 1 . 2]"
1 7 GLU 0.254 0.102 15 0 "[ . 1 . 2]"
1 8 ILE 3.012 0.123 8 0 "[ . 1 . 2]"
1 9 ILE 1.699 0.110 13 0 "[ . 1 . 2]"
1 10 LEU 1.979 0.111 16 0 "[ . 1 . 2]"
1 11 TYR 1.095 0.133 13 0 "[ . 1 . 2]"
1 12 THR 0.065 0.040 7 0 "[ . 1 . 2]"
1 13 ARG 0.109 0.064 19 0 "[ . 1 . 2]"
1 14 PRO 0.187 0.073 6 0 "[ . 1 . 2]"
1 15 ASN 0.067 0.067 14 0 "[ . 1 . 2]"
1 16 CYS 0.474 0.073 6 0 "[ . 1 . 2]"
1 18 TYR 0.800 0.271 10 0 "[ . 1 . 2]"
1 19 CYS 0.445 0.271 10 0 "[ . 1 . 2]"
1 20 LYS 1.167 0.211 8 0 "[ . 1 . 2]"
1 21 ARG 0.874 0.211 8 0 "[ . 1 . 2]"
1 22 ALA 0.343 0.077 10 0 "[ . 1 . 2]"
1 23 ARG 0.850 0.111 16 0 "[ . 1 . 2]"
1 24 ASP 0.036 0.036 8 0 "[ . 1 . 2]"
1 25 LEU 3.900 0.248 18 0 "[ . 1 . 2]"
1 26 LEU 4.987 0.248 18 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 1.456 0.185 16 0 "[ . 1 . 2]"
1 30 GLY 3.318 0.243 17 0 "[ . 1 . 2]"
1 31 VAL 7.452 0.243 17 0 "[ . 1 . 2]"
1 32 LYS 3.394 0.231 17 0 "[ . 1 . 2]"
1 33 TYR 1.038 0.083 8 0 "[ . 1 . 2]"
1 34 THR 0.789 0.056 9 0 "[ . 1 . 2]"
1 35 ASP 0.225 0.068 17 0 "[ . 1 . 2]"
1 36 ILE 2.395 0.086 19 0 "[ . 1 . 2]"
1 37 ASP 0.805 0.086 19 0 "[ . 1 . 2]"
1 38 ALA 0.071 0.050 17 0 "[ . 1 . 2]"
1 39 SER 0.286 0.124 15 0 "[ . 1 . 2]"
1 40 THR 0.264 0.124 15 0 "[ . 1 . 2]"
1 42 LEU 0.045 0.017 17 0 "[ . 1 . 2]"
1 43 ARG 0.122 0.050 17 0 "[ . 1 . 2]"
1 44 GLN 0.519 0.214 10 0 "[ . 1 . 2]"
1 45 GLU 1.303 0.123 3 0 "[ . 1 . 2]"
1 46 MET 2.268 0.123 3 0 "[ . 1 . 2]"
1 47 VAL 0.769 0.214 10 0 "[ . 1 . 2]"
1 48 GLN 2.366 0.232 7 0 "[ . 1 . 2]"
1 49 ARG 0.011 0.011 6 0 "[ . 1 . 2]"
1 50 ALA 0.791 0.074 15 0 "[ . 1 . 2]"
1 51 ASN 0.397 0.073 19 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ARG 0.584 0.184 11 0 "[ . 1 . 2]"
1 54 ASN 0.423 0.184 11 0 "[ . 1 . 2]"
1 55 THR 1.359 0.533 18 1 "[ . 1 . + 2]"
1 56 PHE 0.989 0.533 18 1 "[ . 1 . + 2]"
1 58 GLN 1.297 0.133 13 0 "[ . 1 . 2]"
1 59 ILE 0.460 0.125 13 0 "[ . 1 . 2]"
1 60 PHE 1.986 0.127 19 0 "[ . 1 . 2]"
1 61 ILE 1.610 0.127 19 0 "[ . 1 . 2]"
1 62 GLY 0.130 0.078 20 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TYR 2.904 0.155 8 0 "[ . 1 . 2]"
1 65 HIS 1.604 0.155 8 0 "[ . 1 . 2]"
1 66 VAL 1.070 0.089 12 0 "[ . 1 . 2]"
1 67 GLY 0.212 0.039 8 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 CYS 0.024 0.024 16 0 "[ . 1 . 2]"
1 70 ASP 0.362 0.111 20 0 "[ . 1 . 2]"
1 71 ASP 0.049 0.024 16 0 "[ . 1 . 2]"
1 72 LEU 1.578 0.111 20 0 "[ . 1 . 2]"
1 73 TYR 3.084 0.239 20 0 "[ . 1 . 2]"
1 74 ALA 0.119 0.040 3 0 "[ . 1 . 2]"
1 75 LEU 0.215 0.026 15 0 "[ . 1 . 2]"
1 76 GLU 1.102 0.085 3 0 "[ . 1 . 2]"
1 77 ASN 0.710 0.222 16 0 "[ . 1 . 2]"
1 78 LYS 2.478 0.330 16 0 "[ . 1 . 2]"
1 79 GLY 0.009 0.008 20 0 "[ . 1 . 2]"
1 80 LYS 0.244 0.067 15 0 "[ . 1 . 2]"
1 81 LEU 1.816 0.486 20 0 "[ . 1 . 2]"
1 82 ASP 0.406 0.072 3 0 "[ . 1 . 2]"
1 83 SER 0.184 0.051 19 0 "[ . 1 . 2]"
1 84 LEU 2.558 0.113 3 0 "[ . 1 . 2]"
1 85 LEU 1.455 0.196 19 0 "[ . 1 . 2]"
1 86 GLN 0.024 0.013 16 0 "[ . 1 . 2]"
1 87 ASP 0.179 0.027 20 0 "[ . 1 . 2]"
1 88 VAL 2.043 0.084 5 0 "[ . 1 . 2]"
1 89 HIS 0.021 0.013 16 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 5 MET HA 1 5 MET ME . . 4.540 4.205 3.718 4.520 . 0 0 "[ . 1 . 2]" 1
2 1 6 LYS H 1 6 LYS QB . . 3.640 2.467 2.194 3.056 . 0 0 "[ . 1 . 2]" 1
3 1 6 LYS H 1 6 LYS HD2 . . 5.370 4.221 2.229 5.369 . 0 0 "[ . 1 . 2]" 1
4 1 6 LYS H 1 6 LYS QD . . 4.630 3.680 2.186 4.560 . 0 0 "[ . 1 . 2]" 1
5 1 6 LYS H 1 6 LYS HD3 . . 5.370 4.343 2.869 5.358 . 0 0 "[ . 1 . 2]" 1
6 1 6 LYS HA 1 6 LYS HD2 . . 5.500 3.514 2.008 5.485 . 0 0 "[ . 1 . 2]" 1
7 1 6 LYS HA 1 6 LYS QD . . 4.750 2.931 1.994 4.389 . 0 0 "[ . 1 . 2]" 1
8 1 6 LYS HA 1 6 LYS HD3 . . 5.500 3.488 2.052 5.050 . 0 0 "[ . 1 . 2]" 1
9 1 6 LYS HA 1 6 LYS QE . . 4.180 3.527 1.993 4.191 0.011 8 0 "[ . 1 . 2]" 1
10 1 6 LYS QB 1 62 GLY QA . . 3.660 2.734 1.999 3.682 0.022 8 0 "[ . 1 . 2]" 1
11 1 7 GLU H 1 7 GLU QB . . 3.920 2.959 2.505 3.100 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLU H 1 7 GLU HG2 . . 4.300 2.676 2.151 3.745 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLU H 1 7 GLU QG . . 3.520 2.614 2.134 3.548 0.028 20 0 "[ . 1 . 2]" 1
14 1 7 GLU H 1 7 GLU HG3 . . 4.300 3.847 3.390 4.402 0.102 15 0 "[ . 1 . 2]" 1
15 1 7 GLU H 1 62 GLY H . . 4.390 3.729 3.300 4.154 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLU H 1 62 GLY HA2 . . 4.480 2.781 2.387 3.187 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLU H 1 62 GLY QA . . 3.870 2.725 2.345 3.098 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLU H 1 62 GLY HA3 . . 4.480 4.000 3.262 4.425 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLU HA 1 8 ILE H . . 2.800 2.250 2.234 2.260 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLU HA 1 8 ILE MG . . 4.260 3.918 3.716 4.036 . 0 0 "[ . 1 . 2]" 1
21 1 7 GLU QB 1 8 ILE H . . 4.070 2.863 2.775 3.377 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLU QB 1 9 ILE MD . . 5.370 4.294 4.141 4.423 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLU QG 1 8 ILE H . . 3.890 3.557 2.350 3.851 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLU QG 1 9 ILE HG12 . . 3.420 3.183 2.504 3.430 0.010 2 0 "[ . 1 . 2]" 1
25 1 7 GLU QG 1 9 ILE HG13 . . 4.530 2.917 2.665 3.114 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU QG 1 62 GLY H . . 4.670 3.930 3.602 4.284 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE H 1 8 ILE HB . . 3.320 2.844 2.716 3.039 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE H 1 8 ILE MD . . 4.380 4.167 4.077 4.228 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE H 1 8 ILE MG . . 3.510 2.141 2.059 2.222 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE H 1 9 ILE HG12 . . 4.630 4.633 4.457 4.704 0.074 20 0 "[ . 1 . 2]" 1
31 1 8 ILE H 1 31 VAL QG . . 4.940 4.767 4.301 4.962 0.022 9 0 "[ . 1 . 2]" 1
32 1 8 ILE H 1 32 LYS H . . 5.500 5.144 4.670 5.524 0.024 9 0 "[ . 1 . 2]" 1
33 1 8 ILE H 1 32 LYS QB . . 5.500 5.190 4.715 5.529 0.029 11 0 "[ . 1 . 2]" 1
34 1 8 ILE HA 1 8 ILE MD . . 3.740 3.226 3.146 3.350 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE HA 1 8 ILE QG . . 3.730 2.205 2.160 2.262 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE HA 1 8 ILE MG . . 3.650 3.196 3.187 3.202 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE HA 1 9 ILE H . . 2.840 2.190 2.186 2.195 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE HA 1 9 ILE HG12 . . 4.400 4.393 4.298 4.435 0.035 9 0 "[ . 1 . 2]" 1
39 1 8 ILE HA 1 61 ILE HA . . 4.220 2.342 2.251 2.637 . 0 0 "[ . 1 . 2]" 1
40 1 8 ILE HA 1 61 ILE MG . . 4.180 3.376 2.774 3.620 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE HA 1 62 GLY H . . 3.890 2.699 2.286 3.137 . 0 0 "[ . 1 . 2]" 1
42 1 8 ILE HB 1 9 ILE H . . 4.600 4.170 4.119 4.217 . 0 0 "[ . 1 . 2]" 1
43 1 8 ILE HB 1 26 LEU QD . . 5.440 3.431 2.924 3.849 . 0 0 "[ . 1 . 2]" 1
44 1 8 ILE HB 1 61 ILE MG . . 3.770 3.259 2.585 3.698 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE HB 1 87 ASP QB . . 5.340 4.348 3.755 4.776 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE MD 1 9 ILE H . . 3.360 2.606 2.516 2.791 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE MD 1 10 LEU QB . . 4.190 3.204 2.767 4.082 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE MD 1 10 LEU HG . . 4.050 3.988 3.155 4.110 0.060 15 0 "[ . 1 . 2]" 1
49 1 8 ILE MD 1 26 LEU HB2 . . 5.120 4.582 4.025 4.832 . 0 0 "[ . 1 . 2]" 1
50 1 8 ILE MD 1 26 LEU MD1 . . 3.660 2.549 1.839 3.566 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE MD 1 26 LEU QD . . 2.920 1.817 1.689 2.144 . 0 0 "[ . 1 . 2]" 1
52 1 8 ILE MD 1 26 LEU MD2 . . 3.660 2.068 1.818 2.632 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE MD 1 33 TYR HA . . 4.010 3.450 3.256 3.532 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE MD 1 33 TYR HB2 . . 3.720 2.612 2.265 2.856 . 0 0 "[ . 1 . 2]" 1
55 1 8 ILE MD 1 34 THR H . . 4.220 3.459 3.190 3.615 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE MD 1 60 PHE H . . 4.130 3.827 3.404 4.155 0.025 9 0 "[ . 1 . 2]" 1
57 1 8 ILE QG 1 8 ILE MG . . 3.060 2.496 2.470 2.522 . 0 0 "[ . 1 . 2]" 1
58 1 8 ILE QG 1 9 ILE H . . 4.380 2.450 2.314 2.578 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE QG 1 26 LEU QD . . 4.420 2.444 1.926 2.795 . 0 0 "[ . 1 . 2]" 1
60 1 8 ILE QG 1 61 ILE MG . . 4.370 1.974 1.733 3.072 . 0 0 "[ . 1 . 2]" 1
61 1 8 ILE QG 1 62 GLY H . . 5.220 3.975 3.441 4.529 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE HG12 1 33 TYR HA . . 5.500 5.497 5.362 5.583 0.083 8 0 "[ . 1 . 2]" 1
63 1 8 ILE HG13 1 33 TYR HA . . 5.500 5.392 5.325 5.425 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE MG 1 9 ILE H . . 4.190 3.685 3.599 3.809 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE MG 1 9 ILE HA . . 4.370 3.587 3.506 3.726 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE MG 1 26 LEU H . . 5.500 5.538 5.457 5.603 0.103 12 0 "[ . 1 . 2]" 1
67 1 8 ILE MG 1 26 LEU HB2 . . 4.130 4.087 3.839 4.253 0.123 8 0 "[ . 1 . 2]" 1
68 1 8 ILE MG 1 26 LEU MD1 . . 3.630 2.720 1.876 3.404 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE MG 1 26 LEU MD2 . . 3.630 2.254 1.870 3.302 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE MG 1 33 TYR H . . 4.980 3.744 3.647 3.837 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE MG 1 33 TYR HA . . 4.010 1.881 1.860 1.905 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE MG 1 33 TYR QD . . 4.380 3.724 3.636 3.807 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE MG 1 33 TYR QE . . 5.500 5.457 5.400 5.542 0.042 19 0 "[ . 1 . 2]" 1
74 1 8 ILE MG 1 34 THR HA . . 5.350 5.289 5.147 5.406 0.056 9 0 "[ . 1 . 2]" 1
75 1 8 ILE MG 1 61 ILE HA . . 5.090 4.734 4.527 4.873 . 0 0 "[ . 1 . 2]" 1
76 1 8 ILE MG 1 88 VAL HA . . 4.170 3.114 2.723 3.375 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE MG 1 88 VAL HB . . 3.910 2.993 2.774 3.389 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE H 1 9 ILE HB . . 3.460 2.930 2.889 2.980 . 0 0 "[ . 1 . 2]" 1
79 1 9 ILE H 1 9 ILE MD . . 4.310 4.085 4.018 4.149 . 0 0 "[ . 1 . 2]" 1
80 1 9 ILE H 1 9 ILE HG12 . . 4.400 3.622 3.551 3.684 . 0 0 "[ . 1 . 2]" 1
81 1 9 ILE H 1 9 ILE HG13 . . 4.070 2.617 2.539 2.693 . 0 0 "[ . 1 . 2]" 1
82 1 9 ILE H 1 9 ILE MG . . 4.510 3.956 3.945 3.976 . 0 0 "[ . 1 . 2]" 1
83 1 9 ILE H 1 10 LEU H . . 4.730 4.338 4.074 4.438 . 0 0 "[ . 1 . 2]" 1
84 1 9 ILE H 1 59 ILE MG . . 4.940 4.256 3.877 4.582 . 0 0 "[ . 1 . 2]" 1
85 1 9 ILE H 1 60 PHE H . . 4.220 3.931 3.644 4.180 . 0 0 "[ . 1 . 2]" 1
86 1 9 ILE H 1 60 PHE HB2 . . 4.670 4.269 4.048 4.510 . 0 0 "[ . 1 . 2]" 1
87 1 9 ILE H 1 60 PHE HB3 . . 4.710 3.097 2.905 3.279 . 0 0 "[ . 1 . 2]" 1
88 1 9 ILE H 1 61 ILE HA . . 4.050 3.044 2.850 3.253 . 0 0 "[ . 1 . 2]" 1
89 1 9 ILE HA 1 9 ILE MD . . 3.980 3.877 3.855 3.919 . 0 0 "[ . 1 . 2]" 1
90 1 9 ILE HA 1 10 LEU H . . 2.810 2.213 2.140 2.291 . 0 0 "[ . 1 . 2]" 1
91 1 9 ILE HA 1 34 THR H . . 3.650 2.454 2.246 2.702 . 0 0 "[ . 1 . 2]" 1
92 1 9 ILE HA 1 34 THR MG . . 4.320 3.968 3.636 4.127 . 0 0 "[ . 1 . 2]" 1
93 1 9 ILE HA 1 36 ILE MD . . 5.090 4.926 4.493 5.122 0.032 16 0 "[ . 1 . 2]" 1
94 1 9 ILE HA 1 36 ILE QG . . 5.080 4.133 3.903 4.351 . 0 0 "[ . 1 . 2]" 1
95 1 9 ILE HB 1 9 ILE MD . . 3.390 2.416 2.371 2.449 . 0 0 "[ . 1 . 2]" 1
96 1 9 ILE HB 1 10 LEU H . . 4.660 3.818 3.582 4.166 . 0 0 "[ . 1 . 2]" 1
97 1 9 ILE HB 1 10 LEU HA . . 4.840 4.560 4.411 4.802 . 0 0 "[ . 1 . 2]" 1
98 1 9 ILE HB 1 11 TYR QD . . 4.670 4.104 3.687 4.383 . 0 0 "[ . 1 . 2]" 1
99 1 9 ILE HB 1 11 TYR QE . . 3.280 2.899 2.266 3.271 . 0 0 "[ . 1 . 2]" 1
100 1 9 ILE HB 1 58 GLN QE . . 5.340 5.115 4.897 5.371 0.031 18 0 "[ . 1 . 2]" 1
101 1 9 ILE HB 1 60 PHE H . . 4.710 3.939 3.488 4.201 . 0 0 "[ . 1 . 2]" 1
102 1 9 ILE HB 1 60 PHE HB2 . . 3.230 3.000 2.671 3.280 0.050 14 0 "[ . 1 . 2]" 1
103 1 9 ILE HB 1 60 PHE HB3 . . 3.200 2.411 2.227 2.595 . 0 0 "[ . 1 . 2]" 1
104 1 9 ILE MD 1 9 ILE MG . . 3.050 2.014 1.931 2.114 . 0 0 "[ . 1 . 2]" 1
105 1 9 ILE MD 1 11 TYR QD . . 5.220 5.073 4.786 5.288 0.068 19 0 "[ . 1 . 2]" 1
106 1 9 ILE MD 1 11 TYR QE . . 3.890 3.458 2.974 3.749 . 0 0 "[ . 1 . 2]" 1
107 1 9 ILE MD 1 34 THR HB . . 4.100 3.408 3.218 3.645 . 0 0 "[ . 1 . 2]" 1
108 1 9 ILE MD 1 34 THR MG . . 3.850 3.503 3.142 3.738 . 0 0 "[ . 1 . 2]" 1
109 1 9 ILE MD 1 36 ILE MD . . 3.850 3.598 3.408 3.827 . 0 0 "[ . 1 . 2]" 1
110 1 9 ILE MD 1 46 MET ME . . 5.500 4.645 4.021 5.368 . 0 0 "[ . 1 . 2]" 1
111 1 9 ILE MD 1 60 PHE HB2 . . 4.620 4.374 3.926 4.649 0.029 1 0 "[ . 1 . 2]" 1
112 1 9 ILE MD 1 60 PHE QD . . 4.370 4.275 3.531 4.480 0.110 13 0 "[ . 1 . 2]" 1
113 1 9 ILE MD 1 60 PHE QE . . 5.500 5.287 4.796 5.498 . 0 0 "[ . 1 . 2]" 1
114 1 9 ILE HG12 1 9 ILE MG . . 3.290 2.372 2.294 2.441 . 0 0 "[ . 1 . 2]" 1
115 1 9 ILE HG13 1 11 TYR QE . . 5.190 4.863 4.265 5.188 . 0 0 "[ . 1 . 2]" 1
116 1 9 ILE HG13 1 60 PHE HB2 . . 5.190 4.882 4.533 5.202 0.012 14 0 "[ . 1 . 2]" 1
117 1 9 ILE HG13 1 60 PHE QD . . 5.380 4.679 3.989 5.185 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE MG 1 11 TYR QD . . 5.050 3.803 3.573 4.002 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE MG 1 11 TYR QE . . 4.530 3.135 2.748 3.376 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE MG 1 60 PHE H . . 4.930 4.588 4.234 4.783 . 0 0 "[ . 1 . 2]" 1
121 1 9 ILE MG 1 60 PHE HB2 . . 4.770 4.049 3.822 4.238 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU H 1 10 LEU QD . . 3.850 2.665 2.429 3.083 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU H 1 10 LEU HG . . 3.570 1.975 1.916 2.318 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU H 1 11 TYR H . . 4.680 4.300 4.133 4.514 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU H 1 34 THR H . . 4.510 3.785 3.428 4.165 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU H 1 34 THR HB . . 4.360 4.034 3.815 4.202 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU H 1 34 THR MG . . 4.220 4.222 4.113 4.267 0.047 19 0 "[ . 1 . 2]" 1
128 1 10 LEU H 1 35 ASP HA . . 3.730 3.172 2.897 3.380 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU H 1 36 ILE H . . 4.390 3.603 3.216 4.037 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU H 1 36 ILE MD . . 4.750 4.726 4.523 4.833 0.083 19 0 "[ . 1 . 2]" 1
131 1 10 LEU H 1 59 ILE MG . . 5.240 4.904 4.332 5.244 0.004 4 0 "[ . 1 . 2]" 1
132 1 10 LEU HA 1 10 LEU QD . . 4.180 3.201 2.353 3.461 . 0 0 "[ . 1 . 2]" 1
133 1 10 LEU HA 1 10 LEU HG . . 3.990 3.619 3.375 3.644 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU HA 1 11 TYR H . . 3.330 2.147 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU HA 1 11 TYR QE . . 5.500 5.195 4.996 5.414 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU HA 1 59 ILE QG . . 3.980 3.483 2.878 3.905 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU QB 1 35 ASP HA . . 4.210 3.743 2.225 4.094 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU QB 1 59 ILE QG . . 4.760 3.126 2.569 3.451 . 0 0 "[ . 1 . 2]" 1
139 1 10 LEU HB2 1 35 ASP HA . . 4.800 3.965 2.236 4.519 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU HB3 1 35 ASP HA . . 4.800 4.711 3.979 4.835 0.035 12 0 "[ . 1 . 2]" 1
141 1 10 LEU QD 1 22 ALA MB . . 3.830 3.273 2.491 3.656 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU QD 1 23 ARG H . . 4.170 4.054 3.712 4.195 0.025 13 0 "[ . 1 . 2]" 1
143 1 10 LEU QD 1 23 ARG HA . . 3.660 3.568 2.966 3.771 0.111 16 0 "[ . 1 . 2]" 1
144 1 10 LEU QD 1 26 LEU QD . . 3.250 2.548 2.071 3.026 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU QD 1 33 TYR HB2 . . 4.240 2.084 1.875 2.643 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU QD 1 33 TYR HB3 . . 4.540 3.363 3.143 3.902 . 0 0 "[ . 1 . 2]" 1
147 1 10 LEU QD 1 33 TYR QD . . 3.510 2.033 1.882 2.299 . 0 0 "[ . 1 . 2]" 1
148 1 10 LEU QD 1 33 TYR QE . . 3.800 2.702 2.373 2.997 . 0 0 "[ . 1 . 2]" 1
149 1 10 LEU QD 1 34 THR H . . 5.000 3.307 2.791 4.053 . 0 0 "[ . 1 . 2]" 1
150 1 10 LEU QD 1 35 ASP HA . . 4.320 2.299 1.939 2.794 . 0 0 "[ . 1 . 2]" 1
151 1 10 LEU QD 1 35 ASP QB . . 4.620 2.313 2.070 2.497 . 0 0 "[ . 1 . 2]" 1
152 1 10 LEU QD 1 36 ILE H . . 5.060 3.273 1.973 4.205 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU HG 1 26 LEU QD . . 5.110 4.852 3.870 5.156 0.046 11 0 "[ . 1 . 2]" 1
154 1 10 LEU HG 1 33 TYR QD . . 4.300 3.245 2.614 3.731 . 0 0 "[ . 1 . 2]" 1
155 1 10 LEU HG 1 34 THR HA . . 5.120 4.963 4.832 5.131 0.011 19 0 "[ . 1 . 2]" 1
156 1 10 LEU HG 1 35 ASP HA . . 4.080 2.076 1.979 3.075 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU HG 1 35 ASP QB . . 3.970 3.521 3.332 4.038 0.068 17 0 "[ . 1 . 2]" 1
158 1 11 TYR H 1 12 THR H . . 4.670 4.268 4.083 4.383 . 0 0 "[ . 1 . 2]" 1
159 1 11 TYR H 1 58 GLN H . . 4.570 3.607 3.243 3.839 . 0 0 "[ . 1 . 2]" 1
160 1 11 TYR H 1 59 ILE H . . 5.300 4.839 4.670 5.065 . 0 0 "[ . 1 . 2]" 1
161 1 11 TYR H 1 60 PHE H . . 4.780 3.336 3.060 3.597 . 0 0 "[ . 1 . 2]" 1
162 1 11 TYR HA 1 11 TYR QE . . 4.730 4.595 4.458 4.680 . 0 0 "[ . 1 . 2]" 1
163 1 11 TYR HA 1 36 ILE HB . . 3.820 1.999 1.969 2.148 . 0 0 "[ . 1 . 2]" 1
164 1 11 TYR HA 1 36 ILE MD . . 4.990 4.826 4.666 4.963 . 0 0 "[ . 1 . 2]" 1
165 1 11 TYR HB2 1 58 GLN HB2 . . 5.500 5.342 4.985 5.633 0.133 13 0 "[ . 1 . 2]" 1
166 1 11 TYR HB2 1 58 GLN HB3 . . 5.500 5.215 4.820 5.533 0.033 19 0 "[ . 1 . 2]" 1
167 1 11 TYR HB2 1 58 GLN HE21 . . 5.150 3.921 2.365 5.143 . 0 0 "[ . 1 . 2]" 1
168 1 11 TYR HB2 1 58 GLN QE . . 4.440 3.267 2.346 4.236 . 0 0 "[ . 1 . 2]" 1
169 1 11 TYR HB2 1 58 GLN HE22 . . 5.150 3.891 2.608 5.116 . 0 0 "[ . 1 . 2]" 1
170 1 11 TYR HB3 1 43 ARG QG . . 4.650 2.676 2.227 4.274 . 0 0 "[ . 1 . 2]" 1
171 1 11 TYR HB3 1 58 GLN H . . 3.810 3.199 3.009 3.473 . 0 0 "[ . 1 . 2]" 1
172 1 11 TYR QD 1 36 ILE HB . . 4.190 2.591 2.348 2.807 . 0 0 "[ . 1 . 2]" 1
173 1 11 TYR QD 1 36 ILE MD . . 4.480 4.185 3.995 4.352 . 0 0 "[ . 1 . 2]" 1
174 1 11 TYR QD 1 36 ILE QG . . 4.270 3.192 3.046 3.283 . 0 0 "[ . 1 . 2]" 1
175 1 11 TYR QD 1 43 ARG HA . . 4.550 3.142 2.783 3.841 . 0 0 "[ . 1 . 2]" 1
176 1 11 TYR QD 1 43 ARG HB2 . . 4.820 3.543 3.050 4.280 . 0 0 "[ . 1 . 2]" 1
177 1 11 TYR QD 1 43 ARG HB3 . . 4.870 4.497 4.232 4.876 0.006 15 0 "[ . 1 . 2]" 1
178 1 11 TYR QD 1 43 ARG QG . . 4.200 2.067 1.875 3.829 . 0 0 "[ . 1 . 2]" 1
179 1 11 TYR QD 1 46 MET ME . . 5.500 4.966 3.620 5.516 0.016 15 0 "[ . 1 . 2]" 1
180 1 11 TYR QD 1 47 VAL HA . . 5.210 4.775 4.300 5.013 . 0 0 "[ . 1 . 2]" 1
181 1 11 TYR QD 1 47 VAL QG . . 5.360 3.673 2.521 4.163 . 0 0 "[ . 1 . 2]" 1
182 1 11 TYR QD 1 58 GLN QE . . 4.560 2.266 1.860 2.851 . 0 0 "[ . 1 . 2]" 1
183 1 11 TYR QD 1 59 ILE MG . . 5.500 5.168 4.794 5.514 0.014 12 0 "[ . 1 . 2]" 1
184 1 11 TYR QD 1 60 PHE HB2 . . 4.880 2.313 2.043 2.630 . 0 0 "[ . 1 . 2]" 1
185 1 11 TYR QE 1 34 THR MG . . 5.500 5.475 5.346 5.547 0.047 11 0 "[ . 1 . 2]" 1
186 1 11 TYR QE 1 36 ILE HB . . 4.050 3.729 3.472 3.842 . 0 0 "[ . 1 . 2]" 1
187 1 11 TYR QE 1 36 ILE MD . . 4.220 3.310 3.107 3.652 . 0 0 "[ . 1 . 2]" 1
188 1 11 TYR QE 1 36 ILE HG12 . . 4.470 4.225 4.088 4.288 . 0 0 "[ . 1 . 2]" 1
189 1 11 TYR QE 1 36 ILE QG . . 3.720 2.638 2.441 2.799 . 0 0 "[ . 1 . 2]" 1
190 1 11 TYR QE 1 36 ILE HG13 . . 4.470 2.666 2.460 2.837 . 0 0 "[ . 1 . 2]" 1
191 1 11 TYR QE 1 36 ILE MG . . 3.520 2.155 2.025 2.379 . 0 0 "[ . 1 . 2]" 1
192 1 11 TYR QE 1 43 ARG HA . . 3.690 3.106 2.599 3.525 . 0 0 "[ . 1 . 2]" 1
193 1 11 TYR QE 1 43 ARG QG . . 4.840 3.440 2.924 4.840 . 19 0 "[ . 1 . 2]" 1
194 1 11 TYR QE 1 46 MET H . . 4.920 4.401 4.159 4.844 . 0 0 "[ . 1 . 2]" 1
195 1 11 TYR QE 1 46 MET QB . . 3.930 1.926 1.878 2.081 . 0 0 "[ . 1 . 2]" 1
196 1 11 TYR QE 1 47 VAL HA . . 5.090 3.698 3.316 4.105 . 0 0 "[ . 1 . 2]" 1
197 1 11 TYR QE 1 47 VAL HB . . 4.170 3.730 3.012 4.297 0.127 10 0 "[ . 1 . 2]" 1
198 1 11 TYR QE 1 60 PHE H . . 4.630 4.063 3.849 4.293 . 0 0 "[ . 1 . 2]" 1
199 1 11 TYR QE 1 60 PHE HB2 . . 3.190 1.973 1.928 1.997 . 0 0 "[ . 1 . 2]" 1
200 1 11 TYR QE 1 60 PHE HB3 . . 3.830 2.758 2.477 3.021 . 0 0 "[ . 1 . 2]" 1
201 1 12 THR H 1 12 THR MG . . 3.960 3.809 2.669 3.899 . 0 0 "[ . 1 . 2]" 1
202 1 12 THR H 1 36 ILE HB . . 4.620 3.381 3.242 3.515 . 0 0 "[ . 1 . 2]" 1
203 1 12 THR H 1 37 ASP HA . . 4.770 4.246 4.071 4.386 . 0 0 "[ . 1 . 2]" 1
204 1 12 THR H 1 38 ALA H . . 4.710 4.342 4.144 4.731 0.021 14 0 "[ . 1 . 2]" 1
205 1 12 THR H 1 38 ALA HA . . 5.180 3.843 3.597 4.522 . 0 0 "[ . 1 . 2]" 1
206 1 12 THR HA 1 58 GLN H . . 5.220 4.749 4.157 5.224 0.004 11 0 "[ . 1 . 2]" 1
207 1 12 THR HB 1 13 ARG H . . 3.720 2.246 2.130 3.629 . 0 0 "[ . 1 . 2]" 1
208 1 12 THR MG 1 13 ARG H . . 3.960 2.716 2.586 2.951 . 0 0 "[ . 1 . 2]" 1
209 1 12 THR MG 1 58 GLN H . . 5.230 3.707 2.937 5.270 0.040 7 0 "[ . 1 . 2]" 1
210 1 13 ARG H 1 13 ARG QD . . 4.130 3.302 2.078 4.043 . 0 0 "[ . 1 . 2]" 1
211 1 13 ARG H 1 13 ARG QG . . 4.050 1.998 1.883 2.171 . 0 0 "[ . 1 . 2]" 1
212 1 13 ARG QB 1 16 CYS H . . 5.500 5.133 4.072 5.564 0.064 19 0 "[ . 1 . 2]" 1
213 1 13 ARG QG 1 16 CYS H . . 5.210 4.020 2.601 4.782 . 0 0 "[ . 1 . 2]" 1
214 1 13 ARG QG 1 16 CYS HA . . 4.820 4.115 3.558 4.858 0.038 14 0 "[ . 1 . 2]" 1
215 1 14 PRO HA 1 15 ASN H . . 3.570 3.142 2.386 3.444 . 0 0 "[ . 1 . 2]" 1
216 1 14 PRO QD 1 16 CYS H . . 5.500 5.372 5.025 5.573 0.073 6 0 "[ . 1 . 2]" 1
217 1 14 PRO QG 1 15 ASN QD . . 5.180 3.890 2.487 5.086 . 0 0 "[ . 1 . 2]" 1
218 1 15 ASN HA 1 16 CYS H . . 3.500 2.829 2.536 3.567 0.067 14 0 "[ . 1 . 2]" 1
219 1 15 ASN HB2 1 16 CYS H . . 5.410 4.232 2.447 4.629 . 0 0 "[ . 1 . 2]" 1
220 1 15 ASN HB3 1 16 CYS H . . 5.410 4.319 3.163 4.652 . 0 0 "[ . 1 . 2]" 1
221 1 16 CYS H 1 16 CYS HB2 . . 3.730 3.525 2.612 3.744 0.014 16 0 "[ . 1 . 2]" 1
222 1 16 CYS H 1 16 CYS QB . . 3.070 2.779 2.338 3.058 . 0 0 "[ . 1 . 2]" 1
223 1 16 CYS H 1 16 CYS HB3 . . 3.730 2.927 2.419 3.244 . 0 0 "[ . 1 . 2]" 1
224 1 16 CYS H 1 19 CYS H . . 5.500 5.209 4.947 5.553 0.053 12 0 "[ . 1 . 2]" 1
225 1 16 CYS QB 1 19 CYS H . . 4.200 2.812 2.144 3.829 . 0 0 "[ . 1 . 2]" 1
226 1 16 CYS HB2 1 19 CYS H . . 4.810 3.034 2.154 4.762 . 0 0 "[ . 1 . 2]" 1
227 1 16 CYS HB3 1 19 CYS H . . 4.810 4.207 3.553 4.632 . 0 0 "[ . 1 . 2]" 1
228 1 18 TYR H 1 18 TYR HB2 . . 4.130 2.485 2.071 3.655 . 0 0 "[ . 1 . 2]" 1
229 1 18 TYR H 1 18 TYR QB . . 3.320 2.320 2.048 2.896 . 0 0 "[ . 1 . 2]" 1
230 1 18 TYR H 1 18 TYR HB3 . . 4.130 3.354 2.635 3.635 . 0 0 "[ . 1 . 2]" 1
231 1 18 TYR H 1 18 TYR QD . . 3.950 3.104 1.986 3.868 . 0 0 "[ . 1 . 2]" 1
232 1 18 TYR H 1 19 CYS H . . 3.290 2.408 2.144 2.795 . 0 0 "[ . 1 . 2]" 1
233 1 18 TYR H 1 20 LYS H . . 4.640 4.019 3.415 4.314 . 0 0 "[ . 1 . 2]" 1
234 1 18 TYR H 1 20 LYS QD . . 5.470 4.990 3.960 5.674 0.204 6 0 "[ . 1 . 2]" 1
235 1 18 TYR HA 1 18 TYR QD . . 4.030 2.687 2.187 3.739 . 0 0 "[ . 1 . 2]" 1
236 1 18 TYR HA 1 20 LYS H . . 3.910 3.676 3.425 3.892 . 0 0 "[ . 1 . 2]" 1
237 1 18 TYR HA 1 20 LYS QB . . 4.400 4.083 3.811 4.466 0.066 2 0 "[ . 1 . 2]" 1
238 1 18 TYR HA 1 21 ARG H . . 4.220 3.913 3.774 4.071 . 0 0 "[ . 1 . 2]" 1
239 1 18 TYR HA 1 21 ARG HB2 . . 5.000 4.609 4.211 5.001 0.001 10 0 "[ . 1 . 2]" 1
240 1 18 TYR QB 1 19 CYS H . . 3.290 2.963 2.371 3.561 0.271 10 0 "[ . 1 . 2]" 1
241 1 18 TYR QD 1 19 CYS H . . 5.500 4.324 2.822 4.880 . 0 0 "[ . 1 . 2]" 1
242 1 18 TYR QD 1 21 ARG HB2 . . 5.500 4.838 3.036 5.529 0.029 12 0 "[ . 1 . 2]" 1
243 1 18 TYR QD 1 21 ARG QD . . 4.590 3.912 2.634 4.615 0.025 12 0 "[ . 1 . 2]" 1
244 1 19 CYS H 1 20 LYS H . . 3.760 2.673 2.451 2.731 . 0 0 "[ . 1 . 2]" 1
245 1 19 CYS H 1 21 ARG H . . 4.820 4.524 4.417 4.605 . 0 0 "[ . 1 . 2]" 1
246 1 20 LYS H 1 20 LYS QB . . 2.890 2.351 2.113 2.642 . 0 0 "[ . 1 . 2]" 1
247 1 20 LYS H 1 20 LYS HG2 . . 5.070 3.439 1.937 4.385 . 0 0 "[ . 1 . 2]" 1
248 1 20 LYS H 1 20 LYS QG . . 4.400 2.557 1.928 3.963 . 0 0 "[ . 1 . 2]" 1
249 1 20 LYS H 1 20 LYS HG3 . . 5.070 2.980 2.078 4.519 . 0 0 "[ . 1 . 2]" 1
250 1 20 LYS H 1 21 ARG H . . 3.420 2.823 2.767 2.857 . 0 0 "[ . 1 . 2]" 1
251 1 20 LYS HA 1 20 LYS QD . . 4.470 3.898 2.131 4.454 . 0 0 "[ . 1 . 2]" 1
252 1 20 LYS HA 1 22 ALA H . . 4.810 4.668 4.339 4.828 0.018 9 0 "[ . 1 . 2]" 1
253 1 20 LYS HA 1 23 ARG H . . 4.010 3.832 3.645 3.994 . 0 0 "[ . 1 . 2]" 1
254 1 20 LYS HA 1 24 ASP H . . 4.550 3.905 3.808 4.084 . 0 0 "[ . 1 . 2]" 1
255 1 20 LYS QB 1 21 ARG H . . 3.280 2.859 2.581 3.491 0.211 8 0 "[ . 1 . 2]" 1
256 1 21 ARG H 1 21 ARG HB2 . . 2.880 2.325 2.208 2.515 . 0 0 "[ . 1 . 2]" 1
257 1 21 ARG H 1 21 ARG QD . . 5.140 3.224 2.053 4.375 . 0 0 "[ . 1 . 2]" 1
258 1 21 ARG H 1 21 ARG HG2 . . 4.200 3.642 2.238 4.176 . 0 0 "[ . 1 . 2]" 1
259 1 21 ARG H 1 21 ARG QG . . 3.690 2.788 2.190 3.499 . 0 0 "[ . 1 . 2]" 1
260 1 21 ARG H 1 21 ARG HG3 . . 4.200 3.039 2.207 3.870 . 0 0 "[ . 1 . 2]" 1
261 1 21 ARG H 1 22 ALA H . . 3.230 2.735 2.626 2.810 . 0 0 "[ . 1 . 2]" 1
262 1 21 ARG HA 1 21 ARG QG . . 3.160 2.344 2.151 2.663 . 0 0 "[ . 1 . 2]" 1
263 1 21 ARG HA 1 24 ASP H . . 4.200 3.671 3.566 3.816 . 0 0 "[ . 1 . 2]" 1
264 1 21 ARG HA 1 24 ASP QB . . 3.590 2.550 2.406 2.752 . 0 0 "[ . 1 . 2]" 1
265 1 21 ARG HB2 1 22 ALA H . . 3.380 2.514 2.319 2.794 . 0 0 "[ . 1 . 2]" 1
266 1 21 ARG HB2 1 73 TYR QE . . 4.720 4.237 3.032 4.735 0.015 4 0 "[ . 1 . 2]" 1
267 1 21 ARG HB3 1 22 ALA H . . 4.480 3.272 3.077 3.523 . 0 0 "[ . 1 . 2]" 1
268 1 21 ARG HB3 1 25 LEU H . . 5.300 5.127 4.950 5.302 0.002 11 0 "[ . 1 . 2]" 1
269 1 21 ARG HB3 1 72 LEU MD1 . . 5.160 4.682 4.202 5.169 0.009 17 0 "[ . 1 . 2]" 1
270 1 21 ARG QG 1 22 ALA H . . 4.920 4.221 3.892 4.519 . 0 0 "[ . 1 . 2]" 1
271 1 21 ARG QG 1 73 TYR QE . . 4.690 4.159 3.631 4.689 . 0 0 "[ . 1 . 2]" 1
272 1 22 ALA H 1 22 ALA MB . . 2.870 2.192 2.043 2.242 . 0 0 "[ . 1 . 2]" 1
273 1 22 ALA H 1 23 ARG H . . 3.360 2.842 2.736 2.904 . 0 0 "[ . 1 . 2]" 1
274 1 22 ALA H 1 23 ARG QG . . 5.340 4.154 3.774 4.401 . 0 0 "[ . 1 . 2]" 1
275 1 22 ALA H 1 24 ASP H . . 4.790 3.954 3.849 4.020 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA HA 1 24 ASP H . . 4.700 4.229 4.117 4.343 . 0 0 "[ . 1 . 2]" 1
277 1 22 ALA HA 1 25 LEU H . . 4.440 3.524 3.343 3.675 . 0 0 "[ . 1 . 2]" 1
278 1 22 ALA HA 1 25 LEU QD . . 4.580 3.697 3.269 4.286 . 0 0 "[ . 1 . 2]" 1
279 1 22 ALA HA 1 59 ILE MG . . 5.250 5.171 4.801 5.327 0.077 10 0 "[ . 1 . 2]" 1
280 1 22 ALA HA 1 72 LEU MD1 . . 3.470 2.782 2.491 3.395 . 0 0 "[ . 1 . 2]" 1
281 1 22 ALA HA 1 72 LEU MD2 . . 3.320 2.395 1.889 3.031 . 0 0 "[ . 1 . 2]" 1
282 1 22 ALA HA 1 73 TYR QE . . 3.890 3.349 1.952 3.906 0.016 13 0 "[ . 1 . 2]" 1
283 1 22 ALA MB 1 23 ARG H . . 3.240 2.272 2.182 2.385 . 0 0 "[ . 1 . 2]" 1
284 1 22 ALA MB 1 23 ARG HA . . 4.070 3.732 3.606 3.774 . 0 0 "[ . 1 . 2]" 1
285 1 22 ALA MB 1 24 ASP H . . 4.310 4.256 4.208 4.304 . 0 0 "[ . 1 . 2]" 1
286 1 22 ALA MB 1 26 LEU QD . . 4.090 2.906 2.596 3.303 . 0 0 "[ . 1 . 2]" 1
287 1 22 ALA MB 1 59 ILE MD . . 4.150 3.654 2.347 4.174 0.024 4 0 "[ . 1 . 2]" 1
288 1 22 ALA MB 1 59 ILE QG . . 4.160 3.081 2.476 3.531 . 0 0 "[ . 1 . 2]" 1
289 1 22 ALA MB 1 59 ILE MG . . 3.750 3.291 2.715 3.710 . 0 0 "[ . 1 . 2]" 1
290 1 22 ALA MB 1 72 LEU MD1 . . 4.440 3.470 2.959 4.082 . 0 0 "[ . 1 . 2]" 1
291 1 23 ARG H 1 23 ARG QB . . 3.100 2.344 2.220 2.522 . 0 0 "[ . 1 . 2]" 1
292 1 23 ARG H 1 23 ARG HG2 . . 3.860 2.612 2.041 3.439 . 0 0 "[ . 1 . 2]" 1
293 1 23 ARG H 1 23 ARG QG . . 3.250 2.396 2.021 2.672 . 0 0 "[ . 1 . 2]" 1
294 1 23 ARG H 1 23 ARG HG3 . . 3.860 3.389 2.305 3.875 0.015 13 0 "[ . 1 . 2]" 1
295 1 23 ARG H 1 24 ASP H . . 3.380 2.707 2.641 2.785 . 0 0 "[ . 1 . 2]" 1
296 1 23 ARG H 1 25 LEU H . . 4.630 4.368 4.220 4.482 . 0 0 "[ . 1 . 2]" 1
297 1 23 ARG H 1 26 LEU QD . . 5.440 3.902 3.417 4.438 . 0 0 "[ . 1 . 2]" 1
298 1 23 ARG HA 1 26 LEU H . . 4.150 3.686 3.563 3.812 . 0 0 "[ . 1 . 2]" 1
299 1 23 ARG HA 1 26 LEU HB2 . . 3.500 3.015 2.559 3.341 . 0 0 "[ . 1 . 2]" 1
300 1 23 ARG HA 1 26 LEU MD1 . . 4.950 3.348 1.942 5.009 0.059 11 0 "[ . 1 . 2]" 1
301 1 23 ARG HA 1 26 LEU QD . . 3.790 2.378 1.940 2.949 . 0 0 "[ . 1 . 2]" 1
302 1 23 ARG HA 1 26 LEU MD2 . . 4.950 3.569 2.255 4.757 . 0 0 "[ . 1 . 2]" 1
303 1 23 ARG HA 1 27 ASP H . . 4.720 3.739 3.458 3.968 . 0 0 "[ . 1 . 2]" 1
304 1 23 ARG HA 1 33 TYR QE . . 4.240 3.843 3.256 4.238 . 0 0 "[ . 1 . 2]" 1
305 1 23 ARG QB 1 24 ASP H . . 4.040 3.487 3.457 3.532 . 0 0 "[ . 1 . 2]" 1
306 1 23 ARG HB2 1 24 ASP H . . 4.720 3.956 3.832 4.100 . 0 0 "[ . 1 . 2]" 1
307 1 23 ARG HB3 1 24 ASP H . . 4.720 3.881 3.782 4.045 . 0 0 "[ . 1 . 2]" 1
308 1 23 ARG QD 1 33 TYR QE . . 4.730 4.312 3.254 4.738 0.008 19 0 "[ . 1 . 2]" 1
309 1 23 ARG QG 1 24 ASP H . . 4.340 2.190 1.940 2.309 . 0 0 "[ . 1 . 2]" 1
310 1 23 ARG QG 1 24 ASP HA . . 3.860 3.237 3.029 3.896 0.036 8 0 "[ . 1 . 2]" 1
311 1 23 ARG QG 1 24 ASP QB . . 4.440 3.164 3.009 3.539 . 0 0 "[ . 1 . 2]" 1
312 1 23 ARG QG 1 25 LEU H . . 5.160 4.491 4.348 4.618 . 0 0 "[ . 1 . 2]" 1
313 1 24 ASP H 1 24 ASP QB . . 3.190 2.225 2.174 2.253 . 0 0 "[ . 1 . 2]" 1
314 1 24 ASP H 1 25 LEU H . . 3.540 2.643 2.555 2.738 . 0 0 "[ . 1 . 2]" 1
315 1 24 ASP H 1 26 LEU QD . . 5.390 4.625 4.355 5.118 . 0 0 "[ . 1 . 2]" 1
316 1 24 ASP HA 1 27 ASP H . . 4.130 3.847 3.641 4.008 . 0 0 "[ . 1 . 2]" 1
317 1 24 ASP HA 1 28 LYS H . . 4.510 3.895 3.712 4.105 . 0 0 "[ . 1 . 2]" 1
318 1 24 ASP QB 1 25 LEU H . . 3.570 2.566 2.438 2.718 . 0 0 "[ . 1 . 2]" 1
319 1 24 ASP QB 1 25 LEU HB2 . . 5.500 4.189 3.957 4.478 . 0 0 "[ . 1 . 2]" 1
320 1 24 ASP QB 1 25 LEU QB . . 4.760 3.958 3.833 4.075 . 0 0 "[ . 1 . 2]" 1
321 1 24 ASP QB 1 25 LEU HB3 . . 5.500 4.921 4.503 5.290 . 0 0 "[ . 1 . 2]" 1
322 1 25 LEU H 1 25 LEU HB2 . . 3.130 2.410 2.138 2.779 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU H 1 25 LEU HB3 . . 3.130 2.618 2.257 2.955 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU H 1 25 LEU MD1 . . 4.480 4.064 3.521 4.296 . 0 0 "[ . 1 . 2]" 1
325 1 25 LEU H 1 25 LEU MD2 . . 4.480 4.150 3.507 4.371 . 0 0 "[ . 1 . 2]" 1
326 1 25 LEU H 1 26 LEU H . . 3.250 2.768 2.688 2.825 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU H 1 26 LEU HB2 . . 5.500 4.930 4.613 5.223 . 0 0 "[ . 1 . 2]" 1
328 1 25 LEU H 1 26 LEU MD1 . . 5.500 4.503 3.976 5.378 . 0 0 "[ . 1 . 2]" 1
329 1 25 LEU H 1 26 LEU QD . . 4.190 4.065 3.587 4.438 0.248 18 0 "[ . 1 . 2]" 1
330 1 25 LEU H 1 26 LEU MD2 . . 5.500 4.906 3.750 5.553 0.053 6 0 "[ . 1 . 2]" 1
331 1 25 LEU H 1 27 ASP H . . 4.850 4.374 4.094 4.534 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU H 1 28 LYS H . . 4.730 4.592 4.533 4.674 . 0 0 "[ . 1 . 2]" 1
333 1 25 LEU H 1 72 LEU MD1 . . 5.270 4.750 4.329 4.959 . 0 0 "[ . 1 . 2]" 1
334 1 25 LEU H 1 73 TYR QD . . 5.500 5.589 5.531 5.739 0.239 20 0 "[ . 1 . 2]" 1
335 1 25 LEU H 1 73 TYR QE . . 4.720 3.899 3.582 4.510 . 0 0 "[ . 1 . 2]" 1
336 1 25 LEU HA 1 25 LEU QD . . 4.050 2.924 2.078 3.219 . 0 0 "[ . 1 . 2]" 1
337 1 25 LEU QB 1 25 LEU QD . . 2.840 1.804 1.752 1.965 . 0 0 "[ . 1 . 2]" 1
338 1 25 LEU QB 1 26 LEU H . . 3.640 2.359 2.226 2.519 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU QB 1 26 LEU QD . . 3.860 2.808 2.230 3.702 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU QB 1 73 TYR QD . . 5.190 3.805 3.679 3.929 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU HB2 1 73 TYR QE . . 5.120 2.697 2.071 4.209 . 0 0 "[ . 1 . 2]" 1
342 1 25 LEU HB3 1 73 TYR QE . . 5.120 3.819 3.242 4.262 . 0 0 "[ . 1 . 2]" 1
343 1 25 LEU QD 1 26 LEU H . . 4.330 3.155 2.464 3.743 . 0 0 "[ . 1 . 2]" 1
344 1 25 LEU QD 1 26 LEU QD . . 3.230 2.355 1.869 3.251 0.021 13 0 "[ . 1 . 2]" 1
345 1 25 LEU QD 1 72 LEU MD1 . . 3.030 2.102 1.793 2.472 . 0 0 "[ . 1 . 2]" 1
346 1 25 LEU QD 1 72 LEU MD2 . . 3.730 3.576 3.079 3.821 0.091 13 0 "[ . 1 . 2]" 1
347 1 25 LEU QD 1 73 TYR H . . 5.440 4.777 4.388 5.172 . 0 0 "[ . 1 . 2]" 1
348 1 25 LEU QD 1 73 TYR HA . . 3.880 3.287 2.923 3.518 . 0 0 "[ . 1 . 2]" 1
349 1 25 LEU QD 1 73 TYR QD . . 4.270 2.902 2.221 3.190 . 0 0 "[ . 1 . 2]" 1
350 1 25 LEU QD 1 73 TYR QE . . 4.240 2.710 2.152 3.797 . 0 0 "[ . 1 . 2]" 1
351 1 25 LEU QD 1 76 GLU H . . 5.440 4.928 4.492 5.473 0.033 13 0 "[ . 1 . 2]" 1
352 1 25 LEU QD 1 76 GLU HA . . 5.440 5.062 4.390 5.490 0.050 13 0 "[ . 1 . 2]" 1
353 1 25 LEU QD 1 76 GLU QB . . 3.770 3.044 2.480 3.489 . 0 0 "[ . 1 . 2]" 1
354 1 25 LEU QD 1 76 GLU QG . . 4.190 2.943 1.858 3.598 . 0 0 "[ . 1 . 2]" 1
355 1 25 LEU QD 1 84 LEU MD1 . . 5.100 3.429 2.826 4.352 . 0 0 "[ . 1 . 2]" 1
356 1 25 LEU QD 1 88 VAL MG1 . . 4.790 3.549 3.086 4.158 . 0 0 "[ . 1 . 2]" 1
357 1 25 LEU QD 1 88 VAL MG2 . . 4.210 3.740 3.275 4.224 0.014 17 0 "[ . 1 . 2]" 1
358 1 25 LEU MD1 1 26 LEU H . . 4.940 4.591 3.686 4.805 . 0 0 "[ . 1 . 2]" 1
359 1 25 LEU MD1 1 72 LEU MD1 . . 4.450 2.441 1.854 3.268 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU MD1 1 72 LEU MD2 . . 4.610 4.234 3.568 4.634 0.024 20 0 "[ . 1 . 2]" 1
361 1 25 LEU MD2 1 26 LEU H . . 4.940 3.275 2.476 4.732 . 0 0 "[ . 1 . 2]" 1
362 1 25 LEU MD2 1 72 LEU MD1 . . 4.450 2.589 1.882 3.235 . 0 0 "[ . 1 . 2]" 1
363 1 25 LEU MD2 1 72 LEU MD2 . . 4.610 3.972 3.281 4.615 0.005 7 0 "[ . 1 . 2]" 1
364 1 26 LEU H 1 26 LEU HB2 . . 3.010 2.519 2.220 2.784 . 0 0 "[ . 1 . 2]" 1
365 1 26 LEU H 1 26 LEU HB3 . . 3.770 3.559 3.516 3.585 . 0 0 "[ . 1 . 2]" 1
366 1 26 LEU H 1 26 LEU MD1 . . 3.740 2.679 1.970 3.574 . 0 0 "[ . 1 . 2]" 1
367 1 26 LEU H 1 26 LEU MD2 . . 3.740 3.058 2.158 3.529 . 0 0 "[ . 1 . 2]" 1
368 1 26 LEU H 1 27 ASP H . . 3.420 2.821 2.659 2.963 . 0 0 "[ . 1 . 2]" 1
369 1 26 LEU HA 1 26 LEU MD1 . . 4.560 2.944 1.895 3.994 . 0 0 "[ . 1 . 2]" 1
370 1 26 LEU HA 1 26 LEU QD . . 3.130 2.196 1.888 2.629 . 0 0 "[ . 1 . 2]" 1
371 1 26 LEU HA 1 26 LEU MD2 . . 4.560 3.113 2.276 3.812 . 0 0 "[ . 1 . 2]" 1
372 1 26 LEU HA 1 29 LYS H . . 4.150 3.446 3.215 3.701 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU HA 1 88 VAL MG2 . . 4.090 3.797 3.517 4.127 0.037 3 0 "[ . 1 . 2]" 1
374 1 26 LEU HB2 1 26 LEU QD . . 2.890 2.054 1.909 2.284 . 0 0 "[ . 1 . 2]" 1
375 1 26 LEU HB2 1 27 ASP H . . 3.570 2.347 2.181 2.507 . 0 0 "[ . 1 . 2]" 1
376 1 26 LEU HB2 1 33 TYR QD . . 4.220 2.792 2.163 3.279 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU HB2 1 33 TYR QE . . 4.450 4.063 3.379 4.463 0.013 1 0 "[ . 1 . 2]" 1
378 1 26 LEU HB2 1 88 VAL HB . . 5.500 5.536 5.446 5.584 0.084 5 0 "[ . 1 . 2]" 1
379 1 26 LEU HB2 1 88 VAL MG1 . . 5.500 4.965 4.707 5.228 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU HB3 1 27 ASP H . . 3.960 3.357 2.949 3.705 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU HB3 1 33 TYR HB3 . . 3.660 2.939 2.675 3.193 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU HB3 1 33 TYR QD . . 4.050 2.941 2.159 3.507 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU HB3 1 88 VAL HB . . 4.880 4.027 3.727 4.429 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU QD 1 27 ASP H . . 5.250 3.632 3.424 3.824 . 0 0 "[ . 1 . 2]" 1
385 1 26 LEU QD 1 29 LYS H . . 5.030 4.861 4.420 5.215 0.185 16 0 "[ . 1 . 2]" 1
386 1 26 LEU QD 1 33 TYR HA . . 4.730 3.797 3.495 4.659 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU QD 1 33 TYR HB2 . . 4.340 2.500 2.214 3.412 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU QD 1 33 TYR HB3 . . 4.640 2.117 1.874 3.100 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU QD 1 33 TYR QD . . 3.600 3.003 2.722 3.293 . 0 0 "[ . 1 . 2]" 1
390 1 26 LEU QD 1 33 TYR QE . . 4.580 4.129 3.829 4.461 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU QD 1 88 VAL HB . . 3.790 2.885 2.427 3.276 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU QD 1 88 VAL MG1 . . 2.630 1.953 1.806 2.232 . 0 0 "[ . 1 . 2]" 1
393 1 26 LEU MD1 1 33 TYR HB2 . . 5.030 3.702 2.252 5.097 0.067 10 0 "[ . 1 . 2]" 1
394 1 26 LEU MD1 1 33 TYR QD . . 5.120 3.830 2.745 4.992 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU MD2 1 33 TYR HB2 . . 5.030 3.394 2.218 4.495 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU MD2 1 33 TYR QD . . 5.120 3.849 2.960 4.713 . 0 0 "[ . 1 . 2]" 1
397 1 27 ASP H 1 27 ASP QB . . 3.260 2.226 2.148 2.258 . 0 0 "[ . 1 . 2]" 1
398 1 27 ASP H 1 28 LYS H . . 3.390 2.703 2.611 2.793 . 0 0 "[ . 1 . 2]" 1
399 1 27 ASP H 1 28 LYS QB . . 4.830 4.485 4.367 4.709 . 0 0 "[ . 1 . 2]" 1
400 1 27 ASP H 1 33 TYR QD . . 5.140 3.790 3.237 4.207 . 0 0 "[ . 1 . 2]" 1
401 1 27 ASP H 1 33 TYR QE . . 4.480 3.886 3.013 4.376 . 0 0 "[ . 1 . 2]" 1
402 1 27 ASP QB 1 28 LYS H . . 3.450 2.734 2.492 2.976 . 0 0 "[ . 1 . 2]" 1
403 1 28 LYS H 1 28 LYS QB . . 2.770 2.234 2.154 2.271 . 0 0 "[ . 1 . 2]" 1
404 1 28 LYS H 1 28 LYS QD . . 4.510 4.229 4.065 4.470 . 0 0 "[ . 1 . 2]" 1
405 1 28 LYS H 1 28 LYS QG . . 4.600 3.589 2.706 4.047 . 0 0 "[ . 1 . 2]" 1
406 1 28 LYS H 1 29 LYS H . . 3.290 2.567 2.416 2.773 . 0 0 "[ . 1 . 2]" 1
407 1 28 LYS H 1 29 LYS QB . . 4.880 4.395 4.078 4.853 . 0 0 "[ . 1 . 2]" 1
408 1 28 LYS HA 1 28 LYS QD . . 3.710 2.904 2.001 3.708 . 0 0 "[ . 1 . 2]" 1
409 1 28 LYS HA 1 30 GLY H . . 4.400 4.260 4.111 4.392 . 0 0 "[ . 1 . 2]" 1
410 1 28 LYS QB 1 29 LYS H . . 3.170 2.674 2.562 2.917 . 0 0 "[ . 1 . 2]" 1
411 1 29 LYS H 1 29 LYS QB . . 3.350 2.201 2.055 2.451 . 0 0 "[ . 1 . 2]" 1
412 1 29 LYS H 1 29 LYS HD2 . . 4.300 3.363 2.328 4.327 0.027 4 0 "[ . 1 . 2]" 1
413 1 29 LYS H 1 29 LYS QD . . 3.730 3.037 2.313 3.722 . 0 0 "[ . 1 . 2]" 1
414 1 29 LYS H 1 29 LYS HD3 . . 4.300 3.751 3.007 4.343 0.043 16 0 "[ . 1 . 2]" 1
415 1 29 LYS H 1 29 LYS QG . . 3.850 3.229 2.282 3.910 0.060 11 0 "[ . 1 . 2]" 1
416 1 29 LYS H 1 30 GLY H . . 3.270 2.507 2.437 2.525 . 0 0 "[ . 1 . 2]" 1
417 1 29 LYS H 1 31 VAL H . . 4.490 4.363 4.072 4.496 0.006 13 0 "[ . 1 . 2]" 1
418 1 29 LYS H 1 31 VAL MG1 . . 5.500 5.354 4.445 5.534 0.034 20 0 "[ . 1 . 2]" 1
419 1 29 LYS H 1 31 VAL MG2 . . 5.500 3.830 3.706 4.461 . 0 0 "[ . 1 . 2]" 1
420 1 29 LYS QB 1 30 GLY H . . 3.550 2.827 2.754 2.884 . 0 0 "[ . 1 . 2]" 1
421 1 29 LYS QB 1 31 VAL H . . 4.210 3.755 3.384 4.061 . 0 0 "[ . 1 . 2]" 1
422 1 29 LYS QB 1 88 VAL MG2 . . 3.580 3.246 2.958 3.471 . 0 0 "[ . 1 . 2]" 1
423 1 29 LYS HB2 1 30 GLY H . . 4.150 3.059 2.821 3.347 . 0 0 "[ . 1 . 2]" 1
424 1 29 LYS HB3 1 30 GLY H . . 4.150 3.470 3.105 3.860 . 0 0 "[ . 1 . 2]" 1
425 1 29 LYS QE 1 85 LEU HB3 . . 5.500 4.985 3.381 5.574 0.074 17 0 "[ . 1 . 2]" 1
426 1 29 LYS QG 1 85 LEU HA . . 4.450 3.908 3.101 4.468 0.018 4 0 "[ . 1 . 2]" 1
427 1 29 LYS QG 1 88 VAL HB . . 5.500 5.460 5.190 5.543 0.043 6 0 "[ . 1 . 2]" 1
428 1 29 LYS QG 1 88 VAL MG2 . . 3.690 3.337 2.834 3.610 . 0 0 "[ . 1 . 2]" 1
429 1 30 GLY H 1 31 VAL H . . 3.200 2.330 2.116 2.461 . 0 0 "[ . 1 . 2]" 1
430 1 30 GLY H 1 31 VAL HA . . 5.240 4.920 4.832 4.972 . 0 0 "[ . 1 . 2]" 1
431 1 30 GLY H 1 31 VAL HB . . 5.500 5.666 5.605 5.743 0.243 17 0 "[ . 1 . 2]" 1
432 1 30 GLY H 1 31 VAL MG1 . . 4.930 4.183 3.472 4.331 . 0 0 "[ . 1 . 2]" 1
433 1 30 GLY H 1 31 VAL QG . . 4.160 2.967 2.861 3.170 . 0 0 "[ . 1 . 2]" 1
434 1 30 GLY H 1 31 VAL MG2 . . 4.930 3.053 2.910 3.662 . 0 0 "[ . 1 . 2]" 1
435 1 31 VAL H 1 31 VAL HB . . 3.850 3.713 3.655 3.859 0.009 17 0 "[ . 1 . 2]" 1
436 1 31 VAL H 1 31 VAL MG1 . . 3.450 3.260 2.826 3.364 . 0 0 "[ . 1 . 2]" 1
437 1 31 VAL H 1 31 VAL QG . . 2.850 2.027 1.929 2.132 . 0 0 "[ . 1 . 2]" 1
438 1 31 VAL H 1 31 VAL MG2 . . 3.450 2.049 1.943 2.205 . 0 0 "[ . 1 . 2]" 1
439 1 31 VAL H 1 32 LYS H . . 4.930 4.442 4.393 4.470 . 0 0 "[ . 1 . 2]" 1
440 1 31 VAL H 1 88 VAL HB . . 5.500 5.541 5.516 5.565 0.065 16 0 "[ . 1 . 2]" 1
441 1 31 VAL HA 1 32 LYS H . . 2.760 2.510 2.425 2.630 . 0 0 "[ . 1 . 2]" 1
442 1 31 VAL HA 1 32 LYS QB . . 4.260 4.147 3.957 4.259 . 0 0 "[ . 1 . 2]" 1
443 1 31 VAL HB 1 32 LYS H . . 3.990 2.165 2.039 2.344 . 0 0 "[ . 1 . 2]" 1
444 1 31 VAL HB 1 88 VAL HA . . 4.810 4.282 4.174 4.554 . 0 0 "[ . 1 . 2]" 1
445 1 31 VAL HB 1 89 HIS H . . 5.500 5.269 4.706 5.462 . 0 0 "[ . 1 . 2]" 1
446 1 31 VAL QG 1 32 LYS H . . 3.670 2.973 2.645 3.055 . 0 0 "[ . 1 . 2]" 1
447 1 31 VAL QG 1 32 LYS HA . . 4.150 4.141 3.581 4.240 0.090 14 0 "[ . 1 . 2]" 1
448 1 31 VAL QG 1 33 TYR H . . 5.440 4.195 3.597 4.465 . 0 0 "[ . 1 . 2]" 1
449 1 31 VAL QG 1 33 TYR HB3 . . 3.760 3.735 3.231 3.795 0.035 8 0 "[ . 1 . 2]" 1
450 1 31 VAL QG 1 33 TYR QD . . 4.710 3.748 3.195 3.892 . 0 0 "[ . 1 . 2]" 1
451 1 31 VAL QG 1 33 TYR QE . . 5.440 5.312 4.705 5.450 0.010 2 0 "[ . 1 . 2]" 1
452 1 31 VAL QG 1 88 VAL H . . 5.120 4.217 4.030 4.358 . 0 0 "[ . 1 . 2]" 1
453 1 31 VAL QG 1 88 VAL HB . . 3.120 1.925 1.867 1.973 . 0 0 "[ . 1 . 2]" 1
454 1 31 VAL MG1 1 32 LYS H . . 4.490 3.225 3.119 3.667 . 0 0 "[ . 1 . 2]" 1
455 1 31 VAL MG1 1 32 LYS HA . . 5.240 5.360 5.315 5.471 0.231 17 0 "[ . 1 . 2]" 1
456 1 31 VAL MG2 1 32 LYS H . . 4.490 3.548 2.713 3.703 . 0 0 "[ . 1 . 2]" 1
457 1 31 VAL MG2 1 32 LYS HA . . 5.240 4.315 3.630 4.456 . 0 0 "[ . 1 . 2]" 1
458 1 32 LYS H 1 32 LYS QB . . 3.050 2.313 2.271 2.404 . 0 0 "[ . 1 . 2]" 1
459 1 32 LYS H 1 32 LYS QD . . 4.600 3.749 2.565 4.614 0.014 16 0 "[ . 1 . 2]" 1
460 1 32 LYS H 1 32 LYS QE . . 5.500 4.813 3.789 5.499 . 0 0 "[ . 1 . 2]" 1
461 1 32 LYS H 1 32 LYS QG . . 4.040 3.700 3.348 4.160 0.120 11 0 "[ . 1 . 2]" 1
462 1 32 LYS H 1 33 TYR H . . 4.410 4.191 3.992 4.320 . 0 0 "[ . 1 . 2]" 1
463 1 32 LYS HA 1 32 LYS QD . . 3.120 2.745 2.345 3.108 . 0 0 "[ . 1 . 2]" 1
464 1 32 LYS HA 1 32 LYS QG . . 3.470 2.241 2.059 2.372 . 0 0 "[ . 1 . 2]" 1
465 1 32 LYS HA 1 33 TYR H . . 2.650 2.161 2.140 2.234 . 0 0 "[ . 1 . 2]" 1
466 1 32 LYS HA 1 33 TYR HB3 . . 4.860 4.614 4.509 4.852 . 0 0 "[ . 1 . 2]" 1
467 1 32 LYS HA 1 33 TYR QD . . 4.300 3.986 3.840 4.256 . 0 0 "[ . 1 . 2]" 1
468 1 32 LYS QB 1 32 LYS QE . . 4.290 2.847 1.961 3.747 . 0 0 "[ . 1 . 2]" 1
469 1 32 LYS QB 1 33 TYR H . . 4.020 3.625 3.467 3.875 . 0 0 "[ . 1 . 2]" 1
470 1 32 LYS QB 1 33 TYR HA . . 5.200 4.331 4.218 4.454 . 0 0 "[ . 1 . 2]" 1
471 1 32 LYS QB 1 34 THR H . . 5.500 5.485 5.328 5.529 0.029 7 0 "[ . 1 . 2]" 1
472 1 32 LYS QG 1 33 TYR H . . 4.260 4.033 3.384 4.275 0.015 19 0 "[ . 1 . 2]" 1
473 1 33 TYR H 1 33 TYR QD . . 3.250 2.503 2.282 2.677 . 0 0 "[ . 1 . 2]" 1
474 1 33 TYR H 1 34 THR H . . 5.460 4.541 4.496 4.583 . 0 0 "[ . 1 . 2]" 1
475 1 33 TYR HA 1 33 TYR QD . . 3.850 3.728 3.718 3.736 . 0 0 "[ . 1 . 2]" 1
476 1 33 TYR HA 1 34 THR H . . 2.970 2.230 2.194 2.258 . 0 0 "[ . 1 . 2]" 1
477 1 33 TYR HB2 1 34 THR H . . 3.360 2.918 2.833 3.061 . 0 0 "[ . 1 . 2]" 1
478 1 33 TYR HB3 1 34 THR H . . 4.240 4.073 3.996 4.164 . 0 0 "[ . 1 . 2]" 1
479 1 33 TYR QD 1 34 THR H . . 4.380 3.600 3.433 3.780 . 0 0 "[ . 1 . 2]" 1
480 1 33 TYR QD 1 34 THR HA . . 4.860 3.772 3.609 3.922 . 0 0 "[ . 1 . 2]" 1
481 1 33 TYR QD 1 35 ASP H . . 4.380 3.586 3.314 3.844 . 0 0 "[ . 1 . 2]" 1
482 1 33 TYR QD 1 35 ASP HA . . 4.790 3.763 3.537 4.041 . 0 0 "[ . 1 . 2]" 1
483 1 33 TYR QD 1 35 ASP HB2 . . 4.820 3.920 3.187 4.845 0.025 19 0 "[ . 1 . 2]" 1
484 1 33 TYR QD 1 35 ASP QB . . 4.210 3.309 3.072 3.568 . 0 0 "[ . 1 . 2]" 1
485 1 33 TYR QD 1 35 ASP HB3 . . 4.820 4.127 3.110 4.709 . 0 0 "[ . 1 . 2]" 1
486 1 33 TYR QE 1 35 ASP HA . . 5.320 4.539 4.156 5.026 . 0 0 "[ . 1 . 2]" 1
487 1 33 TYR QE 1 35 ASP HB2 . . 4.690 3.325 2.289 4.482 . 0 0 "[ . 1 . 2]" 1
488 1 33 TYR QE 1 35 ASP QB . . 4.110 2.729 2.271 3.358 . 0 0 "[ . 1 . 2]" 1
489 1 33 TYR QE 1 35 ASP HB3 . . 4.690 3.553 2.370 4.545 . 0 0 "[ . 1 . 2]" 1
490 1 34 THR H 1 34 THR HB . . 3.250 2.522 2.483 2.572 . 0 0 "[ . 1 . 2]" 1
491 1 34 THR H 1 34 THR MG . . 4.180 3.801 3.784 3.823 . 0 0 "[ . 1 . 2]" 1
492 1 34 THR H 1 35 ASP H . . 4.590 4.348 4.231 4.436 . 0 0 "[ . 1 . 2]" 1
493 1 34 THR HA 1 34 THR MG . . 3.060 2.398 2.346 2.442 . 0 0 "[ . 1 . 2]" 1
494 1 34 THR HA 1 35 ASP H . . 2.800 2.144 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
495 1 34 THR HA 1 35 ASP QB . . 4.560 4.189 4.056 4.493 . 0 0 "[ . 1 . 2]" 1
496 1 34 THR HA 1 36 ILE MD . . 4.980 4.833 4.535 4.999 0.019 7 0 "[ . 1 . 2]" 1
497 1 34 THR MG 1 35 ASP H . . 3.410 2.808 2.463 3.045 . 0 0 "[ . 1 . 2]" 1
498 1 34 THR MG 1 35 ASP HA . . 4.360 3.956 3.787 4.071 . 0 0 "[ . 1 . 2]" 1
499 1 34 THR MG 1 36 ILE H . . 4.740 4.167 3.835 4.619 . 0 0 "[ . 1 . 2]" 1
500 1 34 THR MG 1 36 ILE MD . . 4.010 1.928 1.823 2.099 . 0 0 "[ . 1 . 2]" 1
501 1 35 ASP H 1 35 ASP HB2 . . 3.780 3.146 2.708 3.675 . 0 0 "[ . 1 . 2]" 1
502 1 35 ASP H 1 35 ASP QB . . 3.080 2.388 2.191 2.714 . 0 0 "[ . 1 . 2]" 1
503 1 35 ASP H 1 35 ASP HB3 . . 3.780 2.480 2.264 2.800 . 0 0 "[ . 1 . 2]" 1
504 1 35 ASP H 1 36 ILE H . . 4.900 4.455 4.342 4.577 . 0 0 "[ . 1 . 2]" 1
505 1 35 ASP HA 1 36 ILE H . . 2.960 2.153 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
506 1 35 ASP HA 1 36 ILE QG . . 4.490 3.652 3.461 3.797 . 0 0 "[ . 1 . 2]" 1
507 1 35 ASP QB 1 36 ILE MD . . 5.340 5.020 4.735 5.244 . 0 0 "[ . 1 . 2]" 1
508 1 36 ILE H 1 36 ILE HB . . 3.530 2.616 2.521 2.729 . 0 0 "[ . 1 . 2]" 1
509 1 36 ILE H 1 36 ILE MD . . 4.740 3.636 3.305 3.888 . 0 0 "[ . 1 . 2]" 1
510 1 36 ILE H 1 36 ILE QG . . 3.920 2.552 2.246 2.778 . 0 0 "[ . 1 . 2]" 1
511 1 36 ILE H 1 36 ILE MG . . 3.910 3.838 3.797 3.893 . 0 0 "[ . 1 . 2]" 1
512 1 36 ILE H 1 37 ASP H . . 5.060 4.342 4.258 4.441 . 0 0 "[ . 1 . 2]" 1
513 1 36 ILE HA 1 36 ILE MG . . 3.020 2.275 2.205 2.345 . 0 0 "[ . 1 . 2]" 1
514 1 36 ILE HA 1 37 ASP H . . 2.800 2.139 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
515 1 36 ILE HA 1 46 MET ME . . 4.060 4.021 3.622 4.092 0.032 4 0 "[ . 1 . 2]" 1
516 1 36 ILE HB 1 36 ILE MD . . 3.560 3.221 3.214 3.230 . 0 0 "[ . 1 . 2]" 1
517 1 36 ILE MD 1 36 ILE MG . . 2.900 2.057 1.977 2.111 . 0 0 "[ . 1 . 2]" 1
518 1 36 ILE MD 1 43 ARG HA . . 4.850 4.463 4.096 4.637 . 0 0 "[ . 1 . 2]" 1
519 1 36 ILE MD 1 46 MET HA . . 5.500 5.544 5.516 5.583 0.083 8 0 "[ . 1 . 2]" 1
520 1 36 ILE MD 1 46 MET ME . . 3.720 1.910 1.768 2.127 . 0 0 "[ . 1 . 2]" 1
521 1 36 ILE MD 1 46 MET QG . . 4.080 2.927 2.370 3.493 . 0 0 "[ . 1 . 2]" 1
522 1 36 ILE QG 1 46 MET ME . . 4.210 3.496 3.037 3.846 . 0 0 "[ . 1 . 2]" 1
523 1 36 ILE HG12 1 37 ASP H . . 5.500 5.085 5.011 5.222 . 0 0 "[ . 1 . 2]" 1
524 1 36 ILE HG13 1 37 ASP H . . 5.500 5.540 5.513 5.586 0.086 19 0 "[ . 1 . 2]" 1
525 1 36 ILE MG 1 37 ASP H . . 3.380 2.696 2.511 2.838 . 0 0 "[ . 1 . 2]" 1
526 1 36 ILE MG 1 37 ASP QB . . 5.310 3.821 3.631 4.444 . 0 0 "[ . 1 . 2]" 1
527 1 36 ILE MG 1 43 ARG H . . 4.910 3.901 3.587 4.039 . 0 0 "[ . 1 . 2]" 1
528 1 36 ILE MG 1 43 ARG HA . . 3.600 2.398 2.034 2.588 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE MG 1 46 MET H . . 5.280 4.697 4.448 4.912 . 0 0 "[ . 1 . 2]" 1
530 1 36 ILE MG 1 46 MET ME . . 4.160 2.619 1.781 3.117 . 0 0 "[ . 1 . 2]" 1
531 1 37 ASP H 1 37 ASP HB2 . . 3.660 2.521 2.212 3.579 . 0 0 "[ . 1 . 2]" 1
532 1 37 ASP H 1 37 ASP QB . . 3.000 2.351 2.149 2.689 . 0 0 "[ . 1 . 2]" 1
533 1 37 ASP H 1 37 ASP HB3 . . 3.660 3.364 2.700 3.592 . 0 0 "[ . 1 . 2]" 1
534 1 37 ASP H 1 39 SER H . . 5.170 5.004 4.906 5.073 . 0 0 "[ . 1 . 2]" 1
535 1 38 ALA H 1 39 SER H . . 3.750 2.717 2.629 3.603 . 0 0 "[ . 1 . 2]" 1
536 1 38 ALA H 1 43 ARG HB2 . . 5.500 5.152 4.899 5.550 0.050 17 0 "[ . 1 . 2]" 1
537 1 38 ALA HA 1 39 SER H . . 3.520 3.377 2.566 3.455 . 0 0 "[ . 1 . 2]" 1
538 1 38 ALA MB 1 39 SER HA . . 4.310 3.933 3.798 4.184 . 0 0 "[ . 1 . 2]" 1
539 1 39 SER H 1 39 SER HB2 . . 3.940 2.583 2.209 3.588 . 0 0 "[ . 1 . 2]" 1
540 1 39 SER H 1 39 SER QB . . 3.410 2.408 2.149 2.792 . 0 0 "[ . 1 . 2]" 1
541 1 39 SER H 1 39 SER HB3 . . 3.940 3.136 2.401 3.844 . 0 0 "[ . 1 . 2]" 1
542 1 39 SER H 1 40 THR H . . 4.450 4.356 4.038 4.471 0.021 11 0 "[ . 1 . 2]" 1
543 1 39 SER H 1 40 THR MG . . 5.500 5.372 5.158 5.624 0.124 15 0 "[ . 1 . 2]" 1
544 1 39 SER H 1 43 ARG HB2 . . 4.560 4.187 2.460 4.582 0.022 14 0 "[ . 1 . 2]" 1
545 1 39 SER H 1 43 ARG HB3 . . 5.500 4.804 3.697 5.100 . 0 0 "[ . 1 . 2]" 1
546 1 40 THR H 1 40 THR MG . . 3.960 2.189 1.894 2.667 . 0 0 "[ . 1 . 2]" 1
547 1 40 THR HA 1 40 THR MG . . 3.240 2.425 2.044 3.188 . 0 0 "[ . 1 . 2]" 1
548 1 42 LEU H 1 42 LEU QB . . 3.540 2.488 2.385 2.655 . 0 0 "[ . 1 . 2]" 1
549 1 42 LEU H 1 42 LEU QD . . 4.440 3.273 2.498 3.886 . 0 0 "[ . 1 . 2]" 1
550 1 42 LEU H 1 42 LEU HG . . 4.830 4.023 2.821 4.760 . 0 0 "[ . 1 . 2]" 1
551 1 42 LEU H 1 43 ARG H . . 3.910 1.881 1.818 1.954 . 0 0 "[ . 1 . 2]" 1
552 1 42 LEU H 1 43 ARG HB2 . . 5.500 4.309 3.904 4.764 . 0 0 "[ . 1 . 2]" 1
553 1 42 LEU HA 1 43 ARG H . . 3.510 3.505 3.464 3.527 0.017 17 0 "[ . 1 . 2]" 1
554 1 42 LEU QB 1 46 MET H . . 5.120 4.661 4.521 5.109 . 0 0 "[ . 1 . 2]" 1
555 1 43 ARG H 1 43 ARG HB2 . . 3.860 2.588 2.228 3.002 . 0 0 "[ . 1 . 2]" 1
556 1 43 ARG H 1 43 ARG HB3 . . 3.440 2.483 2.147 2.861 . 0 0 "[ . 1 . 2]" 1
557 1 43 ARG H 1 43 ARG QD . . 4.920 4.400 3.835 4.738 . 0 0 "[ . 1 . 2]" 1
558 1 43 ARG H 1 44 GLN H . . 3.810 2.662 2.531 2.748 . 0 0 "[ . 1 . 2]" 1
559 1 43 ARG HA 1 46 MET H . . 4.500 3.510 3.402 3.766 . 0 0 "[ . 1 . 2]" 1
560 1 43 ARG HB2 1 44 GLN H . . 4.600 3.902 3.737 4.105 . 0 0 "[ . 1 . 2]" 1
561 1 43 ARG HB3 1 44 GLN H . . 3.650 2.649 2.461 2.873 . 0 0 "[ . 1 . 2]" 1
562 1 44 GLN H 1 44 GLN HB2 . . 3.530 2.400 2.234 2.605 . 0 0 "[ . 1 . 2]" 1
563 1 44 GLN H 1 44 GLN QB . . 3.020 2.221 2.158 2.258 . 0 0 "[ . 1 . 2]" 1
564 1 44 GLN H 1 44 GLN HB3 . . 3.530 2.664 2.446 2.856 . 0 0 "[ . 1 . 2]" 1
565 1 44 GLN H 1 44 GLN HG2 . . 5.250 4.495 4.234 4.636 . 0 0 "[ . 1 . 2]" 1
566 1 44 GLN H 1 44 GLN QG . . 4.540 3.955 3.836 4.057 . 0 0 "[ . 1 . 2]" 1
567 1 44 GLN H 1 44 GLN HG3 . . 5.250 4.398 4.244 4.534 . 0 0 "[ . 1 . 2]" 1
568 1 44 GLN H 1 45 GLU H . . 4.010 2.694 2.567 2.791 . 0 0 "[ . 1 . 2]" 1
569 1 44 GLN H 1 45 GLU QG . . 3.990 3.863 3.720 4.000 0.010 5 0 "[ . 1 . 2]" 1
570 1 44 GLN H 1 47 VAL H . . 4.820 4.744 4.638 4.862 0.042 5 0 "[ . 1 . 2]" 1
571 1 44 GLN H 1 47 VAL QG . . 5.440 3.957 3.857 4.533 . 0 0 "[ . 1 . 2]" 1
572 1 44 GLN HA 1 44 GLN QB . . 2.600 2.403 2.326 2.460 . 0 0 "[ . 1 . 2]" 1
573 1 44 GLN HA 1 47 VAL H . . 3.920 3.836 3.671 3.938 0.018 13 0 "[ . 1 . 2]" 1
574 1 44 GLN HA 1 47 VAL HB . . 4.110 3.986 2.845 4.170 0.060 12 0 "[ . 1 . 2]" 1
575 1 44 GLN HA 1 47 VAL QG . . 3.220 2.065 1.902 3.434 0.214 10 0 "[ . 1 . 2]" 1
576 1 44 GLN QB 1 45 GLU H . . 3.160 2.543 2.414 2.656 . 0 0 "[ . 1 . 2]" 1
577 1 45 GLU H 1 46 MET H . . 3.480 2.625 2.516 2.689 . 0 0 "[ . 1 . 2]" 1
578 1 45 GLU QB 1 46 MET H . . 4.020 2.654 2.318 3.505 . 0 0 "[ . 1 . 2]" 1
579 1 45 GLU QG 1 46 MET H . . 3.540 3.311 1.931 3.663 0.123 3 0 "[ . 1 . 2]" 1
580 1 46 MET H 1 47 VAL H . . 3.600 2.735 2.546 2.828 . 0 0 "[ . 1 . 2]" 1
581 1 46 MET H 1 47 VAL HB . . 5.500 5.021 4.707 5.185 . 0 0 "[ . 1 . 2]" 1
582 1 46 MET H 1 47 VAL QG . . 5.380 3.921 3.684 4.524 . 0 0 "[ . 1 . 2]" 1
583 1 46 MET QB 1 46 MET ME . . 4.150 2.791 2.053 3.425 . 0 0 "[ . 1 . 2]" 1
584 1 47 VAL H 1 47 VAL HB . . 3.390 2.424 2.312 2.481 . 0 0 "[ . 1 . 2]" 1
585 1 47 VAL H 1 47 VAL MG1 . . 3.900 2.316 2.147 3.695 . 0 0 "[ . 1 . 2]" 1
586 1 47 VAL H 1 47 VAL QG . . 2.940 2.242 2.135 2.537 . 0 0 "[ . 1 . 2]" 1
587 1 47 VAL H 1 47 VAL MG2 . . 3.900 3.686 2.584 3.757 . 0 0 "[ . 1 . 2]" 1
588 1 47 VAL H 1 50 ALA MB . . 4.490 4.181 4.029 4.475 . 0 0 "[ . 1 . 2]" 1
589 1 47 VAL HA 1 47 VAL MG1 . . 3.450 3.165 2.572 3.200 . 0 0 "[ . 1 . 2]" 1
590 1 47 VAL HA 1 47 VAL MG2 . . 3.450 2.242 2.090 2.353 . 0 0 "[ . 1 . 2]" 1
591 1 47 VAL HA 1 50 ALA H . . 3.610 3.395 3.256 3.535 . 0 0 "[ . 1 . 2]" 1
592 1 47 VAL HA 1 50 ALA MB . . 3.980 2.188 1.938 2.656 . 0 0 "[ . 1 . 2]" 1
593 1 47 VAL HA 1 51 ASN H . . 4.320 3.816 3.490 4.125 . 0 0 "[ . 1 . 2]" 1
594 1 47 VAL QG 1 48 GLN H . . 3.590 2.128 1.956 2.738 . 0 0 "[ . 1 . 2]" 1
595 1 47 VAL QG 1 54 ASN QB . . 3.810 2.362 1.645 3.828 0.018 11 0 "[ . 1 . 2]" 1
596 1 47 VAL QG 1 54 ASN QD . . 4.620 3.168 1.827 4.624 0.004 13 0 "[ . 1 . 2]" 1
597 1 47 VAL QG 1 60 PHE QD . . 4.960 3.197 2.556 4.130 . 0 0 "[ . 1 . 2]" 1
598 1 47 VAL QG 1 60 PHE QE . . 5.440 2.613 1.947 3.294 . 0 0 "[ . 1 . 2]" 1
599 1 47 VAL MG1 1 48 GLN H . . 4.110 2.140 1.963 2.789 . 0 0 "[ . 1 . 2]" 1
600 1 47 VAL MG1 1 54 ASN HA . . 4.380 3.514 1.943 4.410 0.030 19 0 "[ . 1 . 2]" 1
601 1 47 VAL MG2 1 48 GLN H . . 4.110 3.845 3.700 3.990 . 0 0 "[ . 1 . 2]" 1
602 1 47 VAL MG2 1 54 ASN HA . . 4.380 3.973 3.034 4.406 0.026 1 0 "[ . 1 . 2]" 1
603 1 48 GLN H 1 48 GLN QB . . 2.910 2.203 2.106 2.396 . 0 0 "[ . 1 . 2]" 1
604 1 48 GLN H 1 48 GLN HG2 . . 4.310 3.668 2.384 4.498 0.188 18 0 "[ . 1 . 2]" 1
605 1 48 GLN H 1 48 GLN QG . . 3.570 3.080 2.350 3.802 0.232 7 0 "[ . 1 . 2]" 1
606 1 48 GLN H 1 48 GLN HG3 . . 4.310 3.574 2.447 4.415 0.105 20 0 "[ . 1 . 2]" 1
607 1 48 GLN H 1 49 ARG H . . 3.370 2.668 2.465 2.835 . 0 0 "[ . 1 . 2]" 1
608 1 48 GLN H 1 49 ARG QB . . 5.340 4.494 4.262 4.794 . 0 0 "[ . 1 . 2]" 1
609 1 48 GLN H 1 50 ALA H . . 4.450 3.666 3.592 3.784 . 0 0 "[ . 1 . 2]" 1
610 1 48 GLN H 1 50 ALA MB . . 4.670 4.378 4.255 4.679 0.009 16 0 "[ . 1 . 2]" 1
611 1 48 GLN H 1 51 ASN QD . . 5.340 4.830 3.905 5.362 0.022 17 0 "[ . 1 . 2]" 1
612 1 48 GLN HA 1 48 GLN QG . . 3.560 2.673 2.161 3.450 . 0 0 "[ . 1 . 2]" 1
613 1 48 GLN HA 1 50 ALA H . . 4.100 3.955 3.855 4.051 . 0 0 "[ . 1 . 2]" 1
614 1 48 GLN HA 1 51 ASN QD . . 5.340 3.207 2.339 3.860 . 0 0 "[ . 1 . 2]" 1
615 1 48 GLN QB 1 49 ARG H . . 3.470 2.742 2.491 3.481 0.011 6 0 "[ . 1 . 2]" 1
616 1 49 ARG H 1 49 ARG HB2 . . 3.730 2.472 2.133 2.746 . 0 0 "[ . 1 . 2]" 1
617 1 49 ARG H 1 49 ARG QB . . 3.030 2.256 2.112 2.312 . 0 0 "[ . 1 . 2]" 1
618 1 49 ARG H 1 49 ARG HB3 . . 3.730 2.751 2.389 3.578 . 0 0 "[ . 1 . 2]" 1
619 1 49 ARG H 1 50 ALA H . . 3.390 2.440 2.406 2.519 . 0 0 "[ . 1 . 2]" 1
620 1 49 ARG H 1 50 ALA MB . . 4.230 4.080 4.039 4.152 . 0 0 "[ . 1 . 2]" 1
621 1 49 ARG QB 1 50 ALA H . . 3.940 3.175 3.085 3.235 . 0 0 "[ . 1 . 2]" 1
622 1 50 ALA H 1 50 ALA MB . . 3.060 2.253 2.188 2.331 . 0 0 "[ . 1 . 2]" 1
623 1 50 ALA H 1 51 ASN H . . 3.870 2.367 2.181 2.525 . 0 0 "[ . 1 . 2]" 1
624 1 50 ALA H 1 51 ASN QD . . 5.340 4.788 3.773 5.413 0.073 19 0 "[ . 1 . 2]" 1
625 1 50 ALA H 1 60 PHE HZ . . 5.500 5.425 4.805 5.574 0.074 15 0 "[ . 1 . 2]" 1
626 1 50 ALA MB 1 51 ASN H . . 4.250 2.569 2.526 2.658 . 0 0 "[ . 1 . 2]" 1
627 1 50 ALA MB 1 60 PHE QD . . 3.910 3.521 3.213 3.785 . 0 0 "[ . 1 . 2]" 1
628 1 50 ALA MB 1 60 PHE QE . . 3.550 2.830 2.378 3.251 . 0 0 "[ . 1 . 2]" 1
629 1 50 ALA MB 1 60 PHE HZ . . 3.590 3.087 2.526 3.566 . 0 0 "[ . 1 . 2]" 1
630 1 51 ASN H 1 51 ASN QB . . 3.650 2.673 2.198 3.183 . 0 0 "[ . 1 . 2]" 1
631 1 51 ASN H 1 52 GLY H . . 3.870 2.071 1.797 2.291 . 0 0 "[ . 1 . 2]" 1
632 1 51 ASN QD 1 53 ARG QB . . 5.260 3.589 2.054 4.271 . 0 0 "[ . 1 . 2]" 1
633 1 51 ASN QD 1 54 ASN H . . 5.340 3.658 2.343 4.938 . 0 0 "[ . 1 . 2]" 1
634 1 52 GLY H 1 53 ARG H . . 3.890 2.479 1.861 3.392 . 0 0 "[ . 1 . 2]" 1
635 1 53 ARG H 1 53 ARG QB . . 3.490 2.880 2.500 3.305 . 0 0 "[ . 1 . 2]" 1
636 1 53 ARG H 1 53 ARG QD . . 5.200 4.863 4.092 5.208 0.008 18 0 "[ . 1 . 2]" 1
637 1 53 ARG H 1 53 ARG QG . . 4.250 3.929 1.982 4.280 0.030 18 0 "[ . 1 . 2]" 1
638 1 53 ARG HA 1 54 ASN H . . 3.200 2.303 2.141 3.384 0.184 11 0 "[ . 1 . 2]" 1
639 1 53 ARG QB 1 54 ASN H . . 4.130 3.563 2.547 4.027 . 0 0 "[ . 1 . 2]" 1
640 1 53 ARG QG 1 54 ASN H . . 4.780 3.135 1.963 4.226 . 0 0 "[ . 1 . 2]" 1
641 1 53 ARG QG 1 55 THR H . . 5.190 5.171 4.648 5.237 0.047 12 0 "[ . 1 . 2]" 1
642 1 54 ASN H 1 55 THR H . . 4.600 4.370 3.452 4.646 0.046 13 0 "[ . 1 . 2]" 1
643 1 55 THR H 1 55 THR MG . . 4.090 2.972 2.105 4.037 . 0 0 "[ . 1 . 2]" 1
644 1 55 THR H 1 56 PHE H . . 5.110 3.102 1.921 4.363 . 0 0 "[ . 1 . 2]" 1
645 1 55 THR HA 1 55 THR MG . . 3.320 2.719 2.000 3.207 . 0 0 "[ . 1 . 2]" 1
646 1 55 THR HA 1 56 PHE H . . 3.030 2.801 2.605 3.563 0.533 18 1 "[ . 1 . + 2]" 1
647 1 55 THR MG 1 56 PHE H . . 4.080 3.202 1.849 4.175 0.095 17 0 "[ . 1 . 2]" 1
648 1 55 THR MG 1 56 PHE QD . . 3.990 2.941 1.940 4.024 0.034 17 0 "[ . 1 . 2]" 1
649 1 55 THR MG 1 56 PHE QE . . 4.400 3.437 2.175 4.409 0.009 18 0 "[ . 1 . 2]" 1
650 1 56 PHE H 1 56 PHE QB . . 3.450 2.664 2.193 3.269 . 0 0 "[ . 1 . 2]" 1
651 1 56 PHE H 1 56 PHE QD . . 3.480 3.027 1.942 3.512 0.032 18 0 "[ . 1 . 2]" 1
652 1 58 GLN H 1 58 GLN QB . . 3.550 3.309 3.158 3.430 . 0 0 "[ . 1 . 2]" 1
653 1 58 GLN H 1 58 GLN QG . . 4.790 3.066 2.409 3.870 . 0 0 "[ . 1 . 2]" 1
654 1 58 GLN H 1 59 ILE H . . 4.990 4.361 4.358 4.377 . 0 0 "[ . 1 . 2]" 1
655 1 58 GLN HA 1 58 GLN QE . . 4.790 4.386 3.923 4.805 0.015 9 0 "[ . 1 . 2]" 1
656 1 58 GLN HA 1 59 ILE H . . 3.000 2.576 2.535 2.614 . 0 0 "[ . 1 . 2]" 1
657 1 58 GLN HA 1 59 ILE MD . . 4.490 2.956 2.578 4.509 0.019 8 0 "[ . 1 . 2]" 1
658 1 58 GLN HA 1 67 GLY QA . . 4.970 3.830 3.002 4.275 . 0 0 "[ . 1 . 2]" 1
659 1 58 GLN QB 1 58 GLN QE . . 3.800 3.026 1.916 3.717 . 0 0 "[ . 1 . 2]" 1
660 1 58 GLN QB 1 59 ILE H . . 4.390 2.154 2.024 2.400 . 0 0 "[ . 1 . 2]" 1
661 1 58 GLN QB 1 67 GLY QA . . 3.600 2.108 1.914 2.552 . 0 0 "[ . 1 . 2]" 1
662 1 58 GLN QE 1 60 PHE HA . . 4.420 2.667 2.147 3.224 . 0 0 "[ . 1 . 2]" 1
663 1 58 GLN QE 1 60 PHE HB2 . . 4.530 2.480 2.088 2.813 . 0 0 "[ . 1 . 2]" 1
664 1 58 GLN QE 1 60 PHE HB3 . . 5.290 3.833 3.458 4.193 . 0 0 "[ . 1 . 2]" 1
665 1 58 GLN QE 1 60 PHE QD . . 3.570 1.958 1.859 2.382 . 0 0 "[ . 1 . 2]" 1
666 1 58 GLN QE 1 60 PHE QE . . 4.270 3.615 3.224 4.209 . 0 0 "[ . 1 . 2]" 1
667 1 58 GLN QE 1 61 ILE H . . 5.110 4.658 4.120 5.218 0.108 8 0 "[ . 1 . 2]" 1
668 1 58 GLN QE 1 65 HIS HA . . 3.560 2.940 2.080 3.575 0.015 20 0 "[ . 1 . 2]" 1
669 1 58 GLN QE 1 65 HIS QB . . 4.200 2.768 2.368 3.329 . 0 0 "[ . 1 . 2]" 1
670 1 58 GLN QE 1 66 VAL H . . 4.120 3.402 2.154 4.166 0.046 7 0 "[ . 1 . 2]" 1
671 1 58 GLN QE 1 66 VAL MG2 . . 5.340 4.845 3.959 5.368 0.028 8 0 "[ . 1 . 2]" 1
672 1 58 GLN QE 1 67 GLY H . . 4.780 4.210 2.428 4.819 0.039 8 0 "[ . 1 . 2]" 1
673 1 58 GLN QG 1 59 ILE H . . 4.770 3.468 2.391 4.087 . 0 0 "[ . 1 . 2]" 1
674 1 58 GLN QG 1 60 PHE HA . . 5.500 4.883 3.740 5.577 0.077 19 0 "[ . 1 . 2]" 1
675 1 58 GLN QG 1 65 HIS QB . . 4.440 2.740 1.972 3.955 . 0 0 "[ . 1 . 2]" 1
676 1 59 ILE H 1 59 ILE HB . . 3.320 2.516 2.453 2.640 . 0 0 "[ . 1 . 2]" 1
677 1 59 ILE H 1 59 ILE MD . . 3.750 2.373 1.928 3.448 . 0 0 "[ . 1 . 2]" 1
678 1 59 ILE H 1 59 ILE QG . . 3.940 3.152 2.528 3.383 . 0 0 "[ . 1 . 2]" 1
679 1 59 ILE H 1 66 VAL H . . 5.270 3.861 3.054 4.506 . 0 0 "[ . 1 . 2]" 1
680 1 59 ILE H 1 66 VAL HB . . 3.960 3.279 2.801 3.874 . 0 0 "[ . 1 . 2]" 1
681 1 59 ILE H 1 67 GLY H . . 4.160 2.377 1.926 2.747 . 0 0 "[ . 1 . 2]" 1
682 1 59 ILE H 1 67 GLY QA . . 4.740 3.557 2.745 4.039 . 0 0 "[ . 1 . 2]" 1
683 1 59 ILE H 1 68 GLY H . . 5.500 4.579 3.293 5.254 . 0 0 "[ . 1 . 2]" 1
684 1 59 ILE HA 1 59 ILE QG . . 3.420 2.324 2.272 2.451 . 0 0 "[ . 1 . 2]" 1
685 1 59 ILE HA 1 60 PHE H . . 2.950 2.150 2.138 2.220 . 0 0 "[ . 1 . 2]" 1
686 1 59 ILE HB 1 59 ILE MD . . 3.140 2.151 2.052 2.204 . 0 0 "[ . 1 . 2]" 1
687 1 59 ILE HB 1 66 VAL H . . 4.910 3.877 3.396 4.199 . 0 0 "[ . 1 . 2]" 1
688 1 59 ILE HB 1 67 GLY H . . 4.070 3.157 2.549 4.015 . 0 0 "[ . 1 . 2]" 1
689 1 59 ILE MD 1 60 PHE H . . 5.240 5.008 4.890 5.365 0.125 13 0 "[ . 1 . 2]" 1
690 1 59 ILE MD 1 66 VAL HB . . 4.130 3.370 2.836 3.885 . 0 0 "[ . 1 . 2]" 1
691 1 59 ILE MD 1 67 GLY HA2 . . 5.500 4.558 3.624 5.305 . 0 0 "[ . 1 . 2]" 1
692 1 59 ILE MD 1 67 GLY QA . . 4.720 4.168 3.390 4.726 0.006 13 0 "[ . 1 . 2]" 1
693 1 59 ILE MD 1 67 GLY HA3 . . 5.500 4.842 4.077 5.439 . 0 0 "[ . 1 . 2]" 1
694 1 59 ILE MD 1 68 GLY QA . . 4.890 2.896 2.511 3.622 . 0 0 "[ . 1 . 2]" 1
695 1 59 ILE QG 1 69 CYS HA . . 4.020 3.131 2.634 4.008 . 0 0 "[ . 1 . 2]" 1
696 1 59 ILE MG 1 60 PHE H . . 3.500 2.678 2.019 2.957 . 0 0 "[ . 1 . 2]" 1
697 1 59 ILE MG 1 60 PHE HB2 . . 5.310 4.640 4.274 4.819 . 0 0 "[ . 1 . 2]" 1
698 1 59 ILE MG 1 66 VAL H . . 4.430 4.116 3.809 4.441 0.011 17 0 "[ . 1 . 2]" 1
699 1 60 PHE H 1 60 PHE HB2 . . 3.830 2.335 2.229 2.564 . 0 0 "[ . 1 . 2]" 1
700 1 60 PHE H 1 60 PHE HB3 . . 4.190 3.112 2.919 3.285 . 0 0 "[ . 1 . 2]" 1
701 1 60 PHE H 1 60 PHE QD . . 4.940 4.003 3.749 4.272 . 0 0 "[ . 1 . 2]" 1
702 1 60 PHE H 1 61 ILE H . . 5.050 4.527 4.424 4.572 . 0 0 "[ . 1 . 2]" 1
703 1 60 PHE H 1 66 VAL HB . . 5.500 5.466 5.232 5.589 0.089 12 0 "[ . 1 . 2]" 1
704 1 60 PHE HA 1 60 PHE QD . . 3.910 2.873 2.595 3.036 . 0 0 "[ . 1 . 2]" 1
705 1 60 PHE HA 1 60 PHE QE . . 5.380 4.399 4.289 4.499 . 0 0 "[ . 1 . 2]" 1
706 1 60 PHE HA 1 61 ILE H . . 2.950 2.212 2.168 2.296 . 0 0 "[ . 1 . 2]" 1
707 1 60 PHE HA 1 65 HIS HA . . 2.880 2.211 1.983 2.529 . 0 0 "[ . 1 . 2]" 1
708 1 60 PHE HA 1 66 VAL H . . 3.730 3.109 2.766 3.464 . 0 0 "[ . 1 . 2]" 1
709 1 60 PHE HA 1 66 VAL MG2 . . 4.330 3.820 3.491 4.378 0.048 12 0 "[ . 1 . 2]" 1
710 1 60 PHE HB2 1 61 ILE H . . 4.440 4.323 4.187 4.423 . 0 0 "[ . 1 . 2]" 1
711 1 60 PHE HB3 1 61 ILE H . . 3.960 3.461 3.131 3.742 . 0 0 "[ . 1 . 2]" 1
712 1 60 PHE HB3 1 61 ILE HA . . 4.360 4.162 4.026 4.400 0.040 17 0 "[ . 1 . 2]" 1
713 1 60 PHE QD 1 61 ILE H . . 4.700 2.459 1.988 3.651 . 0 0 "[ . 1 . 2]" 1
714 1 60 PHE QD 1 61 ILE HA . . 4.560 4.117 3.716 4.687 0.127 19 0 "[ . 1 . 2]" 1
715 1 60 PHE QD 1 65 HIS HA . . 4.210 3.521 2.781 3.863 . 0 0 "[ . 1 . 2]" 1
716 1 60 PHE QD 1 66 VAL H . . 5.160 4.925 4.305 5.180 0.020 2 0 "[ . 1 . 2]" 1
717 1 61 ILE H 1 61 ILE HB . . 4.070 3.685 2.768 3.933 . 0 0 "[ . 1 . 2]" 1
718 1 61 ILE H 1 61 ILE MD . . 4.280 3.658 2.400 4.183 . 0 0 "[ . 1 . 2]" 1
719 1 61 ILE H 1 61 ILE HG12 . . 4.180 2.902 2.296 4.198 0.018 20 0 "[ . 1 . 2]" 1
720 1 61 ILE H 1 61 ILE QG . . 3.620 2.313 2.056 2.912 . 0 0 "[ . 1 . 2]" 1
721 1 61 ILE H 1 61 ILE HG13 . . 4.180 2.799 2.076 4.003 . 0 0 "[ . 1 . 2]" 1
722 1 61 ILE H 1 61 ILE MG . . 4.000 3.338 2.996 3.922 . 0 0 "[ . 1 . 2]" 1
723 1 61 ILE H 1 63 ASP H . . 5.430 4.446 3.811 5.355 . 0 0 "[ . 1 . 2]" 1
724 1 61 ILE H 1 64 TYR H . . 4.310 2.802 2.316 3.257 . 0 0 "[ . 1 . 2]" 1
725 1 61 ILE H 1 64 TYR HA . . 5.200 4.646 4.296 4.892 . 0 0 "[ . 1 . 2]" 1
726 1 61 ILE H 1 64 TYR HB3 . . 4.290 3.925 3.248 4.315 0.025 3 0 "[ . 1 . 2]" 1
727 1 61 ILE H 1 64 TYR QD . . 5.040 4.036 3.661 4.425 . 0 0 "[ . 1 . 2]" 1
728 1 61 ILE H 1 65 HIS HA . . 4.650 3.301 2.818 3.553 . 0 0 "[ . 1 . 2]" 1
729 1 61 ILE H 1 66 VAL H . . 4.720 4.226 3.680 4.739 0.019 12 0 "[ . 1 . 2]" 1
730 1 61 ILE HA 1 61 ILE MD . . 4.220 3.863 2.295 4.181 . 0 0 "[ . 1 . 2]" 1
731 1 61 ILE HA 1 61 ILE QG . . 3.710 3.223 2.415 3.414 . 0 0 "[ . 1 . 2]" 1
732 1 61 ILE HA 1 61 ILE MG . . 3.390 2.294 2.187 2.396 . 0 0 "[ . 1 . 2]" 1
733 1 61 ILE HA 1 62 GLY H . . 2.950 2.163 2.143 2.248 . 0 0 "[ . 1 . 2]" 1
734 1 61 ILE HB 1 61 ILE MD . . 3.260 2.399 2.002 3.222 . 0 0 "[ . 1 . 2]" 1
735 1 61 ILE HB 1 62 GLY H . . 5.500 3.618 3.203 4.460 . 0 0 "[ . 1 . 2]" 1
736 1 61 ILE HB 1 64 TYR QD . . 4.780 4.205 2.096 4.772 . 0 0 "[ . 1 . 2]" 1
737 1 61 ILE MD 1 61 ILE MG . . 3.830 2.275 1.839 2.995 . 0 0 "[ . 1 . 2]" 1
738 1 61 ILE MD 1 62 GLY H . . 5.500 4.883 4.052 5.578 0.078 20 0 "[ . 1 . 2]" 1
739 1 61 ILE MD 1 64 TYR QD . . 4.310 2.214 1.937 4.282 . 0 0 "[ . 1 . 2]" 1
740 1 61 ILE MD 1 64 TYR QE . . 4.600 3.211 2.576 4.628 0.028 17 0 "[ . 1 . 2]" 1
741 1 61 ILE MD 1 87 ASP QB . . 4.580 3.191 2.151 4.329 . 0 0 "[ . 1 . 2]" 1
742 1 61 ILE QG 1 64 TYR QE . . 4.410 3.866 3.136 4.423 0.013 20 0 "[ . 1 . 2]" 1
743 1 61 ILE QG 1 84 LEU MD2 . . 3.760 3.801 3.618 3.873 0.113 3 0 "[ . 1 . 2]" 1
744 1 61 ILE QG 1 87 ASP QB . . 4.570 3.742 2.670 4.422 . 0 0 "[ . 1 . 2]" 1
745 1 61 ILE MG 1 62 GLY H . . 4.220 3.835 3.073 4.044 . 0 0 "[ . 1 . 2]" 1
746 1 61 ILE MG 1 84 LEU HA . . 4.120 3.717 2.766 4.148 0.028 9 0 "[ . 1 . 2]" 1
747 1 61 ILE MG 1 84 LEU MD1 . . 3.350 2.375 2.029 2.815 . 0 0 "[ . 1 . 2]" 1
748 1 61 ILE MG 1 87 ASP QB . . 4.210 3.018 1.823 3.776 . 0 0 "[ . 1 . 2]" 1
749 1 62 GLY H 1 64 TYR H . . 5.000 4.312 4.080 4.641 . 0 0 "[ . 1 . 2]" 1
750 1 62 GLY QA 1 64 TYR H . . 5.170 3.810 3.694 3.943 . 0 0 "[ . 1 . 2]" 1
751 1 63 ASP H 1 64 TYR H . . 4.510 2.495 2.087 2.808 . 0 0 "[ . 1 . 2]" 1
752 1 63 ASP HA 1 64 TYR H . . 3.220 2.926 2.792 3.095 . 0 0 "[ . 1 . 2]" 1
753 1 63 ASP QB 1 64 TYR HA . . 4.950 4.393 4.295 4.522 . 0 0 "[ . 1 . 2]" 1
754 1 64 TYR H 1 64 TYR HB2 . . 3.650 3.411 3.192 3.589 . 0 0 "[ . 1 . 2]" 1
755 1 64 TYR H 1 64 TYR HB3 . . 3.120 2.710 2.559 2.855 . 0 0 "[ . 1 . 2]" 1
756 1 64 TYR H 1 64 TYR QD . . 4.660 4.192 3.986 4.348 . 0 0 "[ . 1 . 2]" 1
757 1 64 TYR H 1 65 HIS H . . 4.450 4.158 3.904 4.433 . 0 0 "[ . 1 . 2]" 1
758 1 64 TYR HA 1 64 TYR QD . . 3.970 2.858 2.612 3.029 . 0 0 "[ . 1 . 2]" 1
759 1 64 TYR HA 1 64 TYR QE . . 5.500 4.775 4.623 4.892 . 0 0 "[ . 1 . 2]" 1
760 1 64 TYR HA 1 65 HIS H . . 2.950 2.190 2.139 2.267 . 0 0 "[ . 1 . 2]" 1
761 1 64 TYR HA 1 65 HIS HE1 . . 4.790 4.865 4.759 4.945 0.155 8 0 "[ . 1 . 2]" 1
762 1 64 TYR HB3 1 65 HIS H . . 4.770 4.285 3.982 4.492 . 0 0 "[ . 1 . 2]" 1
763 1 64 TYR QD 1 65 HIS H . . 4.470 3.455 2.606 4.034 . 0 0 "[ . 1 . 2]" 1
764 1 64 TYR QD 1 66 VAL H . . 4.920 4.441 3.674 4.962 0.042 5 0 "[ . 1 . 2]" 1
765 1 64 TYR QD 1 66 VAL HA . . 4.340 4.086 3.646 4.356 0.016 12 0 "[ . 1 . 2]" 1
766 1 64 TYR QD 1 66 VAL HB . . 5.500 5.451 5.054 5.556 0.056 7 0 "[ . 1 . 2]" 1
767 1 64 TYR QD 1 66 VAL MG2 . . 3.390 2.763 2.435 3.203 . 0 0 "[ . 1 . 2]" 1
768 1 64 TYR QD 1 84 LEU MD1 . . 4.860 4.876 4.826 4.947 0.087 15 0 "[ . 1 . 2]" 1
769 1 64 TYR QD 1 84 LEU MD2 . . 4.700 4.418 3.811 4.718 0.018 17 0 "[ . 1 . 2]" 1
770 1 64 TYR QE 1 66 VAL HA . . 3.430 2.756 1.988 3.457 0.027 12 0 "[ . 1 . 2]" 1
771 1 64 TYR QE 1 66 VAL HB . . 5.310 4.871 4.254 5.306 . 0 0 "[ . 1 . 2]" 1
772 1 64 TYR QE 1 66 VAL MG1 . . 4.440 3.593 3.196 4.021 . 0 0 "[ . 1 . 2]" 1
773 1 64 TYR QE 1 66 VAL MG2 . . 3.370 2.397 1.959 2.858 . 0 0 "[ . 1 . 2]" 1
774 1 64 TYR QE 1 84 LEU MD1 . . 5.110 5.080 4.633 5.178 0.068 16 0 "[ . 1 . 2]" 1
775 1 64 TYR QE 1 84 LEU MD2 . . 4.470 4.270 3.546 4.516 0.046 12 0 "[ . 1 . 2]" 1
776 1 65 HIS H 1 65 HIS HB2 . . 3.720 3.627 3.577 3.729 0.009 2 0 "[ . 1 . 2]" 1
777 1 65 HIS H 1 65 HIS QB . . 3.100 2.792 2.578 2.996 . 0 0 "[ . 1 . 2]" 1
778 1 65 HIS H 1 65 HIS HB3 . . 3.720 2.908 2.642 3.157 . 0 0 "[ . 1 . 2]" 1
779 1 65 HIS H 1 65 HIS HE1 . . 4.970 3.985 3.940 4.044 . 0 0 "[ . 1 . 2]" 1
780 1 65 HIS HA 1 66 VAL H . . 3.130 2.176 2.139 2.224 . 0 0 "[ . 1 . 2]" 1
781 1 65 HIS HA 1 67 GLY H . . 4.730 4.646 3.939 4.749 0.019 9 0 "[ . 1 . 2]" 1
782 1 65 HIS QB 1 65 HIS HD2 . . 3.350 2.704 2.666 2.730 . 0 0 "[ . 1 . 2]" 1
783 1 65 HIS HB2 1 66 VAL H . . 4.600 3.314 2.940 3.767 . 0 0 "[ . 1 . 2]" 1
784 1 65 HIS HB3 1 66 VAL H . . 4.600 4.133 3.922 4.380 . 0 0 "[ . 1 . 2]" 1
785 1 66 VAL H 1 66 VAL HB . . 3.280 2.521 2.416 2.588 . 0 0 "[ . 1 . 2]" 1
786 1 66 VAL H 1 66 VAL MG1 . . 4.100 3.779 3.737 3.820 . 0 0 "[ . 1 . 2]" 1
787 1 66 VAL H 1 66 VAL MG2 . . 3.250 2.431 1.966 2.795 . 0 0 "[ . 1 . 2]" 1
788 1 66 VAL H 1 67 GLY H . . 3.430 2.816 2.081 3.211 . 0 0 "[ . 1 . 2]" 1
789 1 66 VAL HA 1 66 VAL MG1 . . 3.540 2.371 2.305 2.437 . 0 0 "[ . 1 . 2]" 1
790 1 66 VAL HA 1 66 VAL MG2 . . 3.330 2.337 2.228 2.429 . 0 0 "[ . 1 . 2]" 1
791 1 66 VAL HB 1 67 GLY H . . 3.330 2.037 1.933 2.847 . 0 0 "[ . 1 . 2]" 1
792 1 66 VAL MG1 1 67 GLY H . . 3.770 2.752 2.417 3.619 . 0 0 "[ . 1 . 2]" 1
793 1 66 VAL MG1 1 68 GLY H . . 4.910 2.705 1.905 4.232 . 0 0 "[ . 1 . 2]" 1
794 1 66 VAL MG1 1 72 LEU H . . 3.660 2.846 2.295 3.244 . 0 0 "[ . 1 . 2]" 1
795 1 66 VAL MG1 1 72 LEU HA . . 3.470 2.945 2.385 3.484 0.014 12 0 "[ . 1 . 2]" 1
796 1 66 VAL MG2 1 67 GLY H . . 3.890 3.640 3.582 3.916 0.026 16 0 "[ . 1 . 2]" 1
797 1 66 VAL MG2 1 72 LEU HA . . 3.920 3.634 3.117 3.919 . 0 0 "[ . 1 . 2]" 1
798 1 67 GLY H 1 68 GLY H . . 4.700 3.322 2.084 4.271 . 0 0 "[ . 1 . 2]" 1
799 1 67 GLY QA 1 68 GLY H . . 3.020 2.422 2.113 2.913 . 0 0 "[ . 1 . 2]" 1
800 1 67 GLY QA 1 68 GLY QA . . 5.180 3.617 3.578 3.678 . 0 0 "[ . 1 . 2]" 1
801 1 67 GLY QA 1 71 ASP QB . . 4.550 4.009 3.194 4.563 0.013 17 0 "[ . 1 . 2]" 1
802 1 68 GLY H 1 71 ASP H . . 4.640 4.100 3.593 4.631 . 0 0 "[ . 1 . 2]" 1
803 1 68 GLY H 1 71 ASP QB . . 3.300 2.507 1.937 3.185 . 0 0 "[ . 1 . 2]" 1
804 1 68 GLY QA 1 71 ASP H . . 4.920 3.291 3.125 3.473 . 0 0 "[ . 1 . 2]" 1
805 1 69 CYS H 1 69 CYS HB2 . . 4.030 2.775 2.067 3.595 . 0 0 "[ . 1 . 2]" 1
806 1 69 CYS H 1 69 CYS HB3 . . 4.030 3.057 2.402 3.627 . 0 0 "[ . 1 . 2]" 1
807 1 69 CYS H 1 71 ASP QB . . 4.780 4.565 4.258 4.804 0.024 16 0 "[ . 1 . 2]" 1
808 1 69 CYS HA 1 71 ASP H . . 5.500 4.016 3.879 4.168 . 0 0 "[ . 1 . 2]" 1
809 1 70 ASP H 1 70 ASP HB2 . . 3.960 3.049 2.243 3.599 . 0 0 "[ . 1 . 2]" 1
810 1 70 ASP H 1 70 ASP QB . . 3.310 2.385 2.211 2.644 . 0 0 "[ . 1 . 2]" 1
811 1 70 ASP H 1 70 ASP HB3 . . 3.960 2.768 2.271 3.590 . 0 0 "[ . 1 . 2]" 1
812 1 70 ASP H 1 71 ASP H . . 4.710 2.643 2.442 2.724 . 0 0 "[ . 1 . 2]" 1
813 1 70 ASP HA 1 72 LEU MD1 . . 5.500 5.084 4.782 5.611 0.111 20 0 "[ . 1 . 2]" 1
814 1 70 ASP HA 1 72 LEU HG . . 5.070 4.130 3.772 4.599 . 0 0 "[ . 1 . 2]" 1
815 1 70 ASP HA 1 73 TYR QD . . 5.470 3.546 1.897 4.343 . 0 0 "[ . 1 . 2]" 1
816 1 70 ASP HA 1 74 ALA MB . . 4.810 4.670 4.108 4.850 0.040 3 0 "[ . 1 . 2]" 1
817 1 71 ASP H 1 71 ASP QB . . 3.150 2.238 2.070 2.525 . 0 0 "[ . 1 . 2]" 1
818 1 71 ASP H 1 72 LEU H . . 3.560 2.825 2.542 2.938 . 0 0 "[ . 1 . 2]" 1
819 1 71 ASP H 1 72 LEU HB3 . . 5.240 4.946 4.556 5.120 . 0 0 "[ . 1 . 2]" 1
820 1 71 ASP H 1 73 TYR H . . 4.510 4.077 3.953 4.175 . 0 0 "[ . 1 . 2]" 1
821 1 71 ASP HA 1 74 ALA H . . 3.950 3.652 3.502 3.876 . 0 0 "[ . 1 . 2]" 1
822 1 71 ASP QB 1 72 LEU H . . 3.300 2.435 2.234 2.796 . 0 0 "[ . 1 . 2]" 1
823 1 71 ASP QB 1 74 ALA MB . . 4.950 4.614 4.391 4.835 . 0 0 "[ . 1 . 2]" 1
824 1 72 LEU H 1 72 LEU HB2 . . 3.730 3.540 3.518 3.560 . 0 0 "[ . 1 . 2]" 1
825 1 72 LEU H 1 72 LEU HB3 . . 3.130 2.276 2.221 2.334 . 0 0 "[ . 1 . 2]" 1
826 1 72 LEU H 1 72 LEU MD1 . . 4.150 4.035 3.969 4.113 . 0 0 "[ . 1 . 2]" 1
827 1 72 LEU H 1 72 LEU MD2 . . 4.220 3.264 3.152 3.405 . 0 0 "[ . 1 . 2]" 1
828 1 72 LEU H 1 72 LEU HG . . 3.160 2.763 2.635 2.921 . 0 0 "[ . 1 . 2]" 1
829 1 72 LEU H 1 73 TYR H . . 3.430 2.685 2.539 2.794 . 0 0 "[ . 1 . 2]" 1
830 1 72 LEU H 1 73 TYR QD . . 5.500 5.130 4.710 5.388 . 0 0 "[ . 1 . 2]" 1
831 1 72 LEU H 1 74 ALA H . . 5.130 4.456 4.329 4.523 . 0 0 "[ . 1 . 2]" 1
832 1 72 LEU H 1 75 LEU H . . 4.990 4.873 4.680 4.997 0.007 8 0 "[ . 1 . 2]" 1
833 1 72 LEU H 1 75 LEU QD . . 4.830 4.109 3.582 4.748 . 0 0 "[ . 1 . 2]" 1
834 1 72 LEU HA 1 72 LEU MD1 . . 4.180 3.494 3.361 3.540 . 0 0 "[ . 1 . 2]" 1
835 1 72 LEU HA 1 72 LEU HG . . 3.890 3.691 3.680 3.699 . 0 0 "[ . 1 . 2]" 1
836 1 72 LEU HA 1 75 LEU H . . 4.070 3.841 3.607 3.999 . 0 0 "[ . 1 . 2]" 1
837 1 72 LEU HA 1 75 LEU HB2 . . 4.620 2.879 2.611 3.041 . 0 0 "[ . 1 . 2]" 1
838 1 72 LEU HA 1 75 LEU HG . . 4.630 4.267 3.688 4.632 0.002 14 0 "[ . 1 . 2]" 1
839 1 72 LEU HB2 1 72 LEU MD2 . . 3.450 2.645 2.586 2.705 . 0 0 "[ . 1 . 2]" 1
840 1 72 LEU HB2 1 73 TYR H . . 4.280 3.979 3.903 4.083 . 0 0 "[ . 1 . 2]" 1
841 1 72 LEU HB2 1 84 LEU MD1 . . 3.740 2.345 1.951 3.124 . 0 0 "[ . 1 . 2]" 1
842 1 72 LEU HB3 1 73 TYR H . . 3.870 3.739 3.620 3.782 . 0 0 "[ . 1 . 2]" 1
843 1 72 LEU HB3 1 73 TYR HA . . 5.500 5.542 5.482 5.568 0.068 5 0 "[ . 1 . 2]" 1
844 1 72 LEU MD1 1 73 TYR H . . 4.050 2.850 2.675 3.132 . 0 0 "[ . 1 . 2]" 1
845 1 72 LEU MD1 1 73 TYR QB . . 3.860 3.422 3.188 3.838 . 0 0 "[ . 1 . 2]" 1
846 1 72 LEU MD1 1 73 TYR QD . . 4.520 2.085 1.920 2.367 . 0 0 "[ . 1 . 2]" 1
847 1 72 LEU MD1 1 73 TYR QE . . 3.990 3.052 2.266 3.488 . 0 0 "[ . 1 . 2]" 1
848 1 72 LEU MD1 1 76 GLU H . . 4.920 4.336 4.213 4.435 . 0 0 "[ . 1 . 2]" 1
849 1 72 LEU MD2 1 73 TYR QD . . 4.890 3.437 3.147 3.647 . 0 0 "[ . 1 . 2]" 1
850 1 72 LEU MD2 1 73 TYR QE . . 4.500 4.001 2.421 4.512 0.012 12 0 "[ . 1 . 2]" 1
851 1 72 LEU HG 1 73 TYR H . . 3.890 1.984 1.932 2.067 . 0 0 "[ . 1 . 2]" 1
852 1 72 LEU HG 1 73 TYR QD . . 3.460 2.816 2.380 3.019 . 0 0 "[ . 1 . 2]" 1
853 1 73 TYR H 1 73 TYR HB2 . . 4.040 2.204 2.069 2.609 . 0 0 "[ . 1 . 2]" 1
854 1 73 TYR H 1 73 TYR QB . . 3.380 2.174 2.048 2.551 . 0 0 "[ . 1 . 2]" 1
855 1 73 TYR H 1 73 TYR HB3 . . 4.040 3.361 3.259 3.602 . 0 0 "[ . 1 . 2]" 1
856 1 73 TYR H 1 73 TYR QD . . 3.280 3.180 2.943 3.284 0.004 11 0 "[ . 1 . 2]" 1
857 1 73 TYR H 1 73 TYR QE . . 5.500 5.186 4.351 5.515 0.015 11 0 "[ . 1 . 2]" 1
858 1 73 TYR H 1 76 GLU H . . 5.030 4.679 4.583 4.834 . 0 0 "[ . 1 . 2]" 1
859 1 73 TYR HA 1 73 TYR QD . . 4.060 2.692 2.106 2.973 . 0 0 "[ . 1 . 2]" 1
860 1 73 TYR HA 1 73 TYR QE . . 4.660 4.410 4.348 4.487 . 0 0 "[ . 1 . 2]" 1
861 1 73 TYR HA 1 74 ALA HA . . 4.910 4.813 4.784 4.837 . 0 0 "[ . 1 . 2]" 1
862 1 73 TYR HA 1 76 GLU H . . 3.810 3.709 3.586 3.834 0.024 7 0 "[ . 1 . 2]" 1
863 1 73 TYR HA 1 76 GLU HB2 . . 4.760 4.048 3.619 4.830 0.070 3 0 "[ . 1 . 2]" 1
864 1 73 TYR HA 1 76 GLU QB . . 3.930 2.874 2.553 3.850 . 0 0 "[ . 1 . 2]" 1
865 1 73 TYR HA 1 76 GLU HB3 . . 4.760 2.949 2.605 4.045 . 0 0 "[ . 1 . 2]" 1
866 1 73 TYR HA 1 77 ASN H . . 4.640 4.224 4.112 4.326 . 0 0 "[ . 1 . 2]" 1
867 1 73 TYR QB 1 74 ALA H . . 3.480 2.434 2.274 2.521 . 0 0 "[ . 1 . 2]" 1
868 1 73 TYR QB 1 74 ALA MB . . 4.320 3.683 3.586 3.731 . 0 0 "[ . 1 . 2]" 1
869 1 73 TYR HB2 1 74 ALA H . . 4.150 2.799 2.302 2.994 . 0 0 "[ . 1 . 2]" 1
870 1 73 TYR HB3 1 74 ALA H . . 4.150 2.885 2.627 3.546 . 0 0 "[ . 1 . 2]" 1
871 1 73 TYR QD 1 74 ALA MB . . 5.370 5.222 4.968 5.398 0.028 13 0 "[ . 1 . 2]" 1
872 1 74 ALA H 1 74 ALA MB . . 2.790 2.084 2.026 2.231 . 0 0 "[ . 1 . 2]" 1
873 1 74 ALA H 1 75 LEU H . . 3.210 2.824 2.693 2.909 . 0 0 "[ . 1 . 2]" 1
874 1 74 ALA HA 1 76 GLU H . . 5.130 4.706 4.626 4.907 . 0 0 "[ . 1 . 2]" 1
875 1 74 ALA HA 1 77 ASN H . . 3.850 3.608 3.559 3.666 . 0 0 "[ . 1 . 2]" 1
876 1 74 ALA HA 1 77 ASN HB3 . . 3.360 3.033 2.585 3.303 . 0 0 "[ . 1 . 2]" 1
877 1 74 ALA MB 1 75 LEU H . . 3.300 2.454 2.301 2.728 . 0 0 "[ . 1 . 2]" 1
878 1 74 ALA MB 1 75 LEU HA . . 4.520 3.687 3.638 3.778 . 0 0 "[ . 1 . 2]" 1
879 1 74 ALA MB 1 77 ASN HB3 . . 4.930 4.417 4.083 4.653 . 0 0 "[ . 1 . 2]" 1
880 1 75 LEU H 1 75 LEU HB2 . . 3.180 2.398 2.154 2.540 . 0 0 "[ . 1 . 2]" 1
881 1 75 LEU H 1 75 LEU HB3 . . 3.590 3.562 3.474 3.585 . 0 0 "[ . 1 . 2]" 1
882 1 75 LEU H 1 75 LEU MD1 . . 4.130 3.478 3.136 3.822 . 0 0 "[ . 1 . 2]" 1
883 1 75 LEU H 1 75 LEU QD . . 3.590 3.160 2.960 3.434 . 0 0 "[ . 1 . 2]" 1
884 1 75 LEU H 1 75 LEU MD2 . . 4.130 3.647 3.440 3.889 . 0 0 "[ . 1 . 2]" 1
885 1 75 LEU H 1 75 LEU HG . . 3.150 2.424 2.132 2.973 . 0 0 "[ . 1 . 2]" 1
886 1 75 LEU HA 1 75 LEU QD . . 3.530 2.190 1.989 2.457 . 0 0 "[ . 1 . 2]" 1
887 1 75 LEU HA 1 77 ASN H . . 5.190 4.200 4.021 4.394 . 0 0 "[ . 1 . 2]" 1
888 1 75 LEU HA 1 78 LYS H . . 4.290 3.188 3.120 3.255 . 0 0 "[ . 1 . 2]" 1
889 1 75 LEU HA 1 78 LYS QB . . 3.260 2.162 2.016 2.402 . 0 0 "[ . 1 . 2]" 1
890 1 75 LEU HA 1 80 LYS H . . 4.150 3.844 3.720 3.897 . 0 0 "[ . 1 . 2]" 1
891 1 75 LEU HA 1 80 LYS HB2 . . 3.680 3.226 2.959 3.584 . 0 0 "[ . 1 . 2]" 1
892 1 75 LEU HB2 1 76 GLU H . . 3.250 2.472 2.251 2.686 . 0 0 "[ . 1 . 2]" 1
893 1 75 LEU HB3 1 76 GLU H . . 3.500 3.357 2.978 3.526 0.026 15 0 "[ . 1 . 2]" 1
894 1 75 LEU HB3 1 80 LYS H . . 4.630 3.904 3.797 4.063 . 0 0 "[ . 1 . 2]" 1
895 1 75 LEU HB3 1 80 LYS HB2 . . 4.210 2.021 1.975 2.094 . 0 0 "[ . 1 . 2]" 1
896 1 75 LEU HB3 1 81 LEU H . . 5.500 5.418 5.110 5.521 0.021 19 0 "[ . 1 . 2]" 1
897 1 75 LEU QD 1 76 GLU H . . 4.230 3.944 3.777 4.036 . 0 0 "[ . 1 . 2]" 1
898 1 75 LEU QD 1 77 ASN H . . 5.440 5.307 5.102 5.436 . 0 0 "[ . 1 . 2]" 1
899 1 75 LEU QD 1 80 LYS H . . 4.510 4.192 3.502 4.523 0.013 6 0 "[ . 1 . 2]" 1
900 1 75 LEU QD 1 80 LYS HB2 . . 3.820 2.924 2.006 3.367 . 0 0 "[ . 1 . 2]" 1
901 1 75 LEU QD 1 80 LYS QE . . 4.570 2.835 2.092 3.672 . 0 0 "[ . 1 . 2]" 1
902 1 75 LEU MD1 1 76 GLU H . . 5.270 4.278 4.000 4.499 . 0 0 "[ . 1 . 2]" 1
903 1 75 LEU MD2 1 76 GLU H . . 5.270 4.645 4.476 4.757 . 0 0 "[ . 1 . 2]" 1
904 1 76 GLU H 1 76 GLU HB2 . . 3.500 2.842 2.540 3.585 0.085 3 0 "[ . 1 . 2]" 1
905 1 76 GLU H 1 76 GLU QB . . 2.930 2.243 2.070 2.410 . 0 0 "[ . 1 . 2]" 1
906 1 76 GLU H 1 76 GLU HB3 . . 3.500 2.396 2.089 2.506 . 0 0 "[ . 1 . 2]" 1
907 1 76 GLU H 1 76 GLU QG . . 4.430 3.664 2.320 4.040 . 0 0 "[ . 1 . 2]" 1
908 1 76 GLU H 1 77 ASN H . . 3.510 2.729 2.685 2.779 . 0 0 "[ . 1 . 2]" 1
909 1 76 GLU H 1 77 ASN HB2 . . 5.500 5.063 4.821 5.343 . 0 0 "[ . 1 . 2]" 1
910 1 76 GLU H 1 77 ASN HB3 . . 5.500 5.169 4.833 5.507 0.007 16 0 "[ . 1 . 2]" 1
911 1 76 GLU HA 1 80 LYS H . . 4.430 3.265 3.108 3.582 . 0 0 "[ . 1 . 2]" 1
912 1 76 GLU QB 1 77 ASN H . . 4.180 2.891 2.558 3.587 . 0 0 "[ . 1 . 2]" 1
913 1 76 GLU HB2 1 77 ASN H . . 4.790 4.033 3.908 4.223 . 0 0 "[ . 1 . 2]" 1
914 1 76 GLU HB3 1 77 ASN H . . 4.790 3.005 2.593 4.017 . 0 0 "[ . 1 . 2]" 1
915 1 76 GLU QG 1 77 ASN H . . 4.190 3.424 2.292 4.091 . 0 0 "[ . 1 . 2]" 1
916 1 76 GLU QG 1 77 ASN HA . . 4.490 3.681 3.067 4.410 . 0 0 "[ . 1 . 2]" 1
917 1 76 GLU HG2 1 77 ASN H . . 4.770 3.686 2.357 4.427 . 0 0 "[ . 1 . 2]" 1
918 1 76 GLU HG3 1 77 ASN H . . 4.770 4.280 2.377 4.830 0.060 17 0 "[ . 1 . 2]" 1
919 1 77 ASN H 1 77 ASN HB2 . . 3.300 2.560 2.297 2.874 . 0 0 "[ . 1 . 2]" 1
920 1 77 ASN H 1 77 ASN HB3 . . 3.490 2.627 2.347 2.909 . 0 0 "[ . 1 . 2]" 1
921 1 77 ASN H 1 78 LYS H . . 3.550 2.343 2.295 2.420 . 0 0 "[ . 1 . 2]" 1
922 1 77 ASN H 1 78 LYS QB . . 5.050 4.104 3.986 4.261 . 0 0 "[ . 1 . 2]" 1
923 1 77 ASN H 1 79 GLY H . . 4.440 3.944 3.837 4.050 . 0 0 "[ . 1 . 2]" 1
924 1 77 ASN H 1 80 LYS H . . 5.500 4.740 4.536 4.885 . 0 0 "[ . 1 . 2]" 1
925 1 77 ASN HA 1 77 ASN QD . . 3.960 3.263 1.971 3.920 . 0 0 "[ . 1 . 2]" 1
926 1 77 ASN HA 1 79 GLY H . . 4.130 3.931 3.885 3.979 . 0 0 "[ . 1 . 2]" 1
927 1 77 ASN HA 1 81 LEU QB . . 4.360 4.255 4.049 4.394 0.034 6 0 "[ . 1 . 2]" 1
928 1 77 ASN HB3 1 78 LYS H . . 3.840 3.110 3.004 3.317 . 0 0 "[ . 1 . 2]" 1
929 1 77 ASN HB3 1 78 LYS QG . . 5.500 4.537 3.538 5.722 0.222 16 0 "[ . 1 . 2]" 1
930 1 77 ASN HB3 1 79 GLY H . . 5.220 5.095 5.047 5.221 0.001 20 0 "[ . 1 . 2]" 1
931 1 78 LYS H 1 78 LYS QB . . 3.620 2.159 2.081 2.271 . 0 0 "[ . 1 . 2]" 1
932 1 78 LYS H 1 78 LYS QD . . 3.820 3.349 2.613 4.008 0.188 16 0 "[ . 1 . 2]" 1
933 1 78 LYS H 1 78 LYS QG . . 3.730 3.422 2.680 4.060 0.330 16 0 "[ . 1 . 2]" 1
934 1 78 LYS H 1 79 GLY H . . 3.170 2.385 2.303 2.440 . 0 0 "[ . 1 . 2]" 1
935 1 78 LYS H 1 80 LYS H . . 4.290 3.458 3.394 3.559 . 0 0 "[ . 1 . 2]" 1
936 1 78 LYS H 1 81 LEU H . . 5.000 4.905 4.702 5.026 0.026 3 0 "[ . 1 . 2]" 1
937 1 78 LYS H 1 81 LEU QB . . 5.340 5.315 5.209 5.371 0.031 8 0 "[ . 1 . 2]" 1
938 1 78 LYS HA 1 78 LYS QD . . 3.630 2.480 1.916 3.669 0.039 20 0 "[ . 1 . 2]" 1
939 1 78 LYS HA 1 78 LYS QG . . 3.480 2.452 2.015 2.765 . 0 0 "[ . 1 . 2]" 1
940 1 78 LYS QB 1 79 GLY H . . 4.230 3.024 2.983 3.059 . 0 0 "[ . 1 . 2]" 1
941 1 78 LYS QB 1 80 LYS H . . 4.810 3.297 3.176 3.409 . 0 0 "[ . 1 . 2]" 1
942 1 78 LYS QD 1 79 GLY H . . 5.220 4.719 3.340 5.228 0.008 20 0 "[ . 1 . 2]" 1
943 1 78 LYS QG 1 79 GLY H . . 5.170 4.592 4.349 4.756 . 0 0 "[ . 1 . 2]" 1
944 1 79 GLY H 1 80 LYS QD . . 5.500 4.587 3.945 5.200 . 0 0 "[ . 1 . 2]" 1
945 1 79 GLY H 1 81 LEU H . . 4.560 3.105 3.000 3.213 . 0 0 "[ . 1 . 2]" 1
946 1 80 LYS H 1 80 LYS HB2 . . 3.710 2.270 2.111 2.674 . 0 0 "[ . 1 . 2]" 1
947 1 80 LYS H 1 80 LYS QD . . 3.620 3.149 2.706 3.617 . 0 0 "[ . 1 . 2]" 1
948 1 80 LYS H 1 80 LYS QE . . 5.500 4.960 4.594 5.342 . 0 0 "[ . 1 . 2]" 1
949 1 80 LYS H 1 80 LYS HG2 . . 4.690 3.669 2.055 4.529 . 0 0 "[ . 1 . 2]" 1
950 1 80 LYS H 1 80 LYS HG3 . . 4.690 4.158 3.567 4.480 . 0 0 "[ . 1 . 2]" 1
951 1 80 LYS H 1 81 LEU H . . 3.080 2.561 2.539 2.607 . 0 0 "[ . 1 . 2]" 1
952 1 80 LYS H 1 82 ASP H . . 4.970 4.922 4.842 5.037 0.067 15 0 "[ . 1 . 2]" 1
953 1 80 LYS H 1 84 LEU MD2 . . 5.500 5.043 4.791 5.358 . 0 0 "[ . 1 . 2]" 1
954 1 80 LYS HA 1 80 LYS QD . . 3.620 2.238 2.123 2.389 . 0 0 "[ . 1 . 2]" 1
955 1 80 LYS HA 1 80 LYS QG . . 3.600 2.604 2.339 3.082 . 0 0 "[ . 1 . 2]" 1
956 1 80 LYS HA 1 82 ASP H . . 4.580 3.776 3.653 3.936 . 0 0 "[ . 1 . 2]" 1
957 1 80 LYS HA 1 83 SER H . . 4.510 3.363 3.270 3.437 . 0 0 "[ . 1 . 2]" 1
958 1 80 LYS HA 1 84 LEU H . . 4.860 4.537 4.277 4.660 . 0 0 "[ . 1 . 2]" 1
959 1 80 LYS HB2 1 80 LYS QD . . 3.500 2.661 2.218 3.484 . 0 0 "[ . 1 . 2]" 1
960 1 80 LYS HB2 1 81 LEU H . . 4.220 3.800 3.521 4.013 . 0 0 "[ . 1 . 2]" 1
961 1 80 LYS HB2 1 84 LEU H . . 5.500 5.214 4.513 5.538 0.038 7 0 "[ . 1 . 2]" 1
962 1 80 LYS HB3 1 80 LYS QD . . 3.870 3.010 2.318 3.306 . 0 0 "[ . 1 . 2]" 1
963 1 80 LYS HB3 1 81 LEU H . . 4.630 4.055 3.612 4.474 . 0 0 "[ . 1 . 2]" 1
964 1 80 LYS HB3 1 82 ASP H . . 5.500 5.361 5.269 5.490 . 0 0 "[ . 1 . 2]" 1
965 1 80 LYS QD 1 81 LEU H . . 4.840 4.700 4.446 4.854 0.014 10 0 "[ . 1 . 2]" 1
966 1 80 LYS QD 1 83 SER H . . 5.240 4.867 4.337 5.229 . 0 0 "[ . 1 . 2]" 1
967 1 81 LEU H 1 81 LEU HB2 . . 3.090 2.702 2.524 3.576 0.486 20 0 "[ . 1 . 2]" 1
968 1 81 LEU H 1 81 LEU HB3 . . 3.090 2.382 2.243 2.675 . 0 0 "[ . 1 . 2]" 1
969 1 81 LEU H 1 81 LEU MD1 . . 5.160 4.236 3.629 4.352 . 0 0 "[ . 1 . 2]" 1
970 1 81 LEU H 1 81 LEU QD . . 4.450 3.592 2.700 3.727 . 0 0 "[ . 1 . 2]" 1
971 1 81 LEU H 1 81 LEU MD2 . . 5.160 3.897 2.785 4.169 . 0 0 "[ . 1 . 2]" 1
972 1 81 LEU H 1 81 LEU HG . . 4.540 4.335 2.017 4.485 . 0 0 "[ . 1 . 2]" 1
973 1 81 LEU H 1 82 ASP H . . 3.200 2.809 2.714 2.893 . 0 0 "[ . 1 . 2]" 1
974 1 81 LEU H 1 83 SER H . . 4.810 4.428 4.270 4.528 . 0 0 "[ . 1 . 2]" 1
975 1 81 LEU HA 1 81 LEU QD . . 3.920 3.092 2.655 3.440 . 0 0 "[ . 1 . 2]" 1
976 1 81 LEU HA 1 81 LEU HG . . 3.660 2.777 2.627 3.607 . 0 0 "[ . 1 . 2]" 1
977 1 81 LEU HA 1 84 LEU H . . 3.880 3.461 3.310 3.590 . 0 0 "[ . 1 . 2]" 1
978 1 81 LEU HA 1 84 LEU MD2 . . 3.920 3.768 3.478 3.934 0.014 5 0 "[ . 1 . 2]" 1
979 1 81 LEU HA 1 84 LEU HG . . 3.870 3.852 3.490 3.935 0.065 5 0 "[ . 1 . 2]" 1
980 1 81 LEU HA 1 85 LEU H . . 4.930 3.691 3.408 4.015 . 0 0 "[ . 1 . 2]" 1
981 1 81 LEU HA 1 85 LEU QD . . 3.570 3.398 3.064 3.707 0.137 19 0 "[ . 1 . 2]" 1
982 1 81 LEU QB 1 82 ASP H . . 3.200 2.639 2.453 3.270 0.070 20 0 "[ . 1 . 2]" 1
983 1 81 LEU QD 1 82 ASP H . . 4.030 2.866 2.380 3.495 . 0 0 "[ . 1 . 2]" 1
984 1 81 LEU QD 1 82 ASP HA . . 3.520 2.810 2.377 3.534 0.014 2 0 "[ . 1 . 2]" 1
985 1 81 LEU QD 1 83 SER H . . 5.440 4.801 4.485 5.309 . 0 0 "[ . 1 . 2]" 1
986 1 81 LEU QD 1 84 LEU H . . 5.280 5.046 4.772 5.234 . 0 0 "[ . 1 . 2]" 1
987 1 81 LEU HG 1 82 ASP H . . 4.130 3.893 2.136 4.171 0.041 14 0 "[ . 1 . 2]" 1
988 1 82 ASP H 1 82 ASP QB . . 3.520 2.348 2.145 2.699 . 0 0 "[ . 1 . 2]" 1
989 1 82 ASP H 1 83 SER H . . 3.930 2.846 2.816 2.915 . 0 0 "[ . 1 . 2]" 1
990 1 82 ASP H 1 83 SER HB2 . . 5.500 5.358 5.008 5.503 0.003 10 0 "[ . 1 . 2]" 1
991 1 82 ASP H 1 83 SER HB3 . . 5.500 5.028 4.879 5.363 . 0 0 "[ . 1 . 2]" 1
992 1 82 ASP H 1 84 LEU H . . 4.560 4.348 4.180 4.443 . 0 0 "[ . 1 . 2]" 1
993 1 82 ASP H 1 84 LEU MD2 . . 5.500 5.339 5.113 5.572 0.072 3 0 "[ . 1 . 2]" 1
994 1 82 ASP H 1 85 LEU HB2 . . 5.500 4.971 4.764 5.509 0.009 3 0 "[ . 1 . 2]" 1
995 1 82 ASP HA 1 85 LEU HB2 . . 4.100 3.129 2.832 3.409 . 0 0 "[ . 1 . 2]" 1
996 1 82 ASP HA 1 86 GLN H . . 4.430 3.986 3.759 4.183 . 0 0 "[ . 1 . 2]" 1
997 1 82 ASP QB 1 83 SER H . . 3.670 2.585 2.350 3.336 . 0 0 "[ . 1 . 2]" 1
998 1 82 ASP HB2 1 83 SER H . . 4.330 3.094 2.393 3.928 . 0 0 "[ . 1 . 2]" 1
999 1 82 ASP HB3 1 83 SER H . . 4.330 3.156 2.382 4.020 . 0 0 "[ . 1 . 2]" 1
1000 1 83 SER H 1 83 SER HB2 . . 3.780 2.622 2.295 2.789 . 0 0 "[ . 1 . 2]" 1
1001 1 83 SER H 1 83 SER QB . . 3.190 2.250 2.199 2.267 . 0 0 "[ . 1 . 2]" 1
1002 1 83 SER H 1 83 SER HB3 . . 3.780 2.475 2.335 2.815 . 0 0 "[ . 1 . 2]" 1
1003 1 83 SER H 1 84 LEU H . . 3.590 2.681 2.593 2.761 . 0 0 "[ . 1 . 2]" 1
1004 1 83 SER H 1 84 LEU HB2 . . 4.870 4.470 4.349 4.570 . 0 0 "[ . 1 . 2]" 1
1005 1 83 SER H 1 85 LEU H . . 4.550 4.222 4.009 4.328 . 0 0 "[ . 1 . 2]" 1
1006 1 83 SER H 1 85 LEU QD . . 5.440 5.340 4.899 5.491 0.051 19 0 "[ . 1 . 2]" 1
1007 1 83 SER HA 1 86 GLN H . . 4.140 3.549 3.375 3.793 . 0 0 "[ . 1 . 2]" 1
1008 1 83 SER HA 1 86 GLN QB . . 3.470 2.546 2.384 2.801 . 0 0 "[ . 1 . 2]" 1
1009 1 83 SER HA 1 87 ASP H . . 4.200 4.169 4.040 4.224 0.024 18 0 "[ . 1 . 2]" 1
1010 1 83 SER QB 1 84 LEU H . . 3.830 2.422 2.349 2.587 . 0 0 "[ . 1 . 2]" 1
1011 1 83 SER HB2 1 84 LEU H . . 4.400 3.814 3.559 3.905 . 0 0 "[ . 1 . 2]" 1
1012 1 83 SER HB3 1 84 LEU H . . 4.400 2.450 2.374 2.625 . 0 0 "[ . 1 . 2]" 1
1013 1 84 LEU H 1 84 LEU HB2 . . 2.990 2.167 2.105 2.228 . 0 0 "[ . 1 . 2]" 1
1014 1 84 LEU H 1 84 LEU HB3 . . 3.680 3.482 3.426 3.521 . 0 0 "[ . 1 . 2]" 1
1015 1 84 LEU H 1 84 LEU MD1 . . 4.230 4.019 3.924 4.136 . 0 0 "[ . 1 . 2]" 1
1016 1 84 LEU H 1 84 LEU MD2 . . 3.820 2.036 1.916 2.236 . 0 0 "[ . 1 . 2]" 1
1017 1 84 LEU H 1 84 LEU HG . . 3.960 3.901 3.777 3.976 0.016 3 0 "[ . 1 . 2]" 1
1018 1 84 LEU H 1 85 LEU H . . 3.150 2.835 2.725 2.903 . 0 0 "[ . 1 . 2]" 1
1019 1 84 LEU H 1 85 LEU QD . . 5.440 4.496 4.174 4.905 . 0 0 "[ . 1 . 2]" 1
1020 1 84 LEU HA 1 84 LEU MD1 . . 3.480 2.223 2.069 2.402 . 0 0 "[ . 1 . 2]" 1
1021 1 84 LEU HA 1 84 LEU MD2 . . 3.550 2.337 2.240 2.479 . 0 0 "[ . 1 . 2]" 1
1022 1 84 LEU HA 1 87 ASP H . . 3.980 3.580 3.408 3.742 . 0 0 "[ . 1 . 2]" 1
1023 1 84 LEU HA 1 87 ASP QB . . 3.610 2.673 2.400 3.066 . 0 0 "[ . 1 . 2]" 1
1024 1 84 LEU HB2 1 84 LEU MD2 . . 3.430 2.389 2.329 2.456 . 0 0 "[ . 1 . 2]" 1
1025 1 84 LEU HB2 1 85 LEU H . . 4.080 2.716 2.562 2.988 . 0 0 "[ . 1 . 2]" 1
1026 1 84 LEU HB3 1 84 LEU MD2 . . 3.330 3.182 3.175 3.187 . 0 0 "[ . 1 . 2]" 1
1027 1 84 LEU HB3 1 85 LEU H . . 4.740 3.060 2.830 3.392 . 0 0 "[ . 1 . 2]" 1
1028 1 84 LEU HB3 1 85 LEU HA . . 4.900 3.951 3.856 4.066 . 0 0 "[ . 1 . 2]" 1
1029 1 84 LEU MD2 1 87 ASP H . . 5.500 5.166 5.072 5.319 . 0 0 "[ . 1 . 2]" 1
1030 1 85 LEU H 1 85 LEU HB2 . . 2.900 2.195 2.047 2.579 . 0 0 "[ . 1 . 2]" 1
1031 1 85 LEU H 1 85 LEU HB3 . . 4.050 3.420 3.269 3.589 . 0 0 "[ . 1 . 2]" 1
1032 1 85 LEU H 1 85 LEU QD . . 3.190 2.531 2.065 2.954 . 0 0 "[ . 1 . 2]" 1
1033 1 85 LEU H 1 86 GLN H . . 3.320 2.686 2.554 2.843 . 0 0 "[ . 1 . 2]" 1
1034 1 85 LEU H 1 86 GLN QB . . 4.690 4.443 4.309 4.679 . 0 0 "[ . 1 . 2]" 1
1035 1 85 LEU HA 1 85 LEU MD1 . . 3.570 3.000 2.263 3.766 0.196 19 0 "[ . 1 . 2]" 1
1036 1 85 LEU HA 1 85 LEU QD . . 2.900 2.463 1.911 2.858 . 0 0 "[ . 1 . 2]" 1
1037 1 85 LEU HA 1 85 LEU MD2 . . 3.570 2.999 1.919 3.751 0.181 11 0 "[ . 1 . 2]" 1
1038 1 85 LEU HB2 1 85 LEU QD . . 2.780 2.161 1.972 2.506 . 0 0 "[ . 1 . 2]" 1
1039 1 85 LEU HB2 1 86 GLN H . . 3.650 2.811 2.332 3.129 . 0 0 "[ . 1 . 2]" 1
1040 1 85 LEU HB3 1 86 GLN H . . 4.120 3.127 2.644 3.741 . 0 0 "[ . 1 . 2]" 1
1041 1 85 LEU QD 1 86 GLN H . . 4.550 3.987 3.834 4.116 . 0 0 "[ . 1 . 2]" 1
1042 1 85 LEU MD1 1 86 GLN H . . 5.250 4.501 4.248 4.772 . 0 0 "[ . 1 . 2]" 1
1043 1 85 LEU MD2 1 86 GLN H . . 5.250 4.478 4.169 4.781 . 0 0 "[ . 1 . 2]" 1
1044 1 86 GLN H 1 86 GLN QB . . 2.930 2.247 2.198 2.424 . 0 0 "[ . 1 . 2]" 1
1045 1 86 GLN H 1 86 GLN HG2 . . 4.910 4.209 2.527 4.622 . 0 0 "[ . 1 . 2]" 1
1046 1 86 GLN H 1 86 GLN QG . . 4.200 3.688 2.335 4.060 . 0 0 "[ . 1 . 2]" 1
1047 1 86 GLN H 1 86 GLN HG3 . . 4.910 4.213 2.356 4.617 . 0 0 "[ . 1 . 2]" 1
1048 1 86 GLN H 1 87 ASP H . . 3.730 2.602 2.481 2.692 . 0 0 "[ . 1 . 2]" 1
1049 1 86 GLN HA 1 86 GLN HG2 . . 3.900 3.183 2.493 3.749 . 0 0 "[ . 1 . 2]" 1
1050 1 86 GLN HA 1 86 GLN QG . . 3.370 2.585 2.306 3.160 . 0 0 "[ . 1 . 2]" 1
1051 1 86 GLN HA 1 86 GLN HG3 . . 3.900 2.877 2.420 3.679 . 0 0 "[ . 1 . 2]" 1
1052 1 86 GLN HA 1 89 HIS QB . . 4.650 2.740 2.520 2.911 . 0 0 "[ . 1 . 2]" 1
1053 1 86 GLN QB 1 86 GLN HE21 . . 3.560 2.558 1.946 3.550 . 0 0 "[ . 1 . 2]" 1
1054 1 86 GLN QB 1 87 ASP H . . 3.120 2.942 2.756 3.005 . 0 0 "[ . 1 . 2]" 1
1055 1 86 GLN QB 1 87 ASP QB . . 5.180 4.401 3.946 4.643 . 0 0 "[ . 1 . 2]" 1
1056 1 86 GLN QB 1 89 HIS QB . . 4.690 4.499 4.325 4.703 0.013 16 0 "[ . 1 . 2]" 1
1057 1 86 GLN HB2 1 86 GLN HE21 . . 4.180 3.354 2.085 4.122 . 0 0 "[ . 1 . 2]" 1
1058 1 86 GLN HB3 1 86 GLN HE21 . . 4.180 2.815 1.980 3.919 . 0 0 "[ . 1 . 2]" 1
1059 1 86 GLN HE21 1 87 ASP H . . 5.500 5.072 4.134 5.503 0.003 15 0 "[ . 1 . 2]" 1
1060 1 86 GLN QG 1 87 ASP H . . 4.630 3.970 3.656 4.456 . 0 0 "[ . 1 . 2]" 1
1061 1 86 GLN HG2 1 87 ASP H . . 5.470 4.411 3.879 5.348 . 0 0 "[ . 1 . 2]" 1
1062 1 86 GLN HG3 1 87 ASP H . . 5.470 4.739 3.769 5.321 . 0 0 "[ . 1 . 2]" 1
1063 1 87 ASP H 1 87 ASP HB2 . . 3.820 2.314 2.201 2.533 . 0 0 "[ . 1 . 2]" 1
1064 1 87 ASP H 1 87 ASP QB . . 3.240 2.270 2.155 2.455 . 0 0 "[ . 1 . 2]" 1
1065 1 87 ASP H 1 87 ASP HB3 . . 3.820 3.451 2.624 3.615 . 0 0 "[ . 1 . 2]" 1
1066 1 87 ASP H 1 88 VAL H . . 3.690 2.523 2.275 2.774 . 0 0 "[ . 1 . 2]" 1
1067 1 87 ASP H 1 88 VAL MG1 . . 4.260 4.129 3.886 4.287 0.027 20 0 "[ . 1 . 2]" 1
1068 1 87 ASP H 1 88 VAL MG2 . . 3.890 3.596 3.470 3.721 . 0 0 "[ . 1 . 2]" 1
1069 1 87 ASP H 1 89 HIS H . . 4.380 3.604 3.510 3.755 . 0 0 "[ . 1 . 2]" 1
1070 1 87 ASP QB 1 88 VAL H . . 4.430 2.406 1.950 2.828 . 0 0 "[ . 1 . 2]" 1
1071 1 87 ASP QB 1 88 VAL MG1 . . 4.100 2.985 2.797 3.115 . 0 0 "[ . 1 . 2]" 1
1072 1 87 ASP QB 1 88 VAL MG2 . . 5.170 3.948 3.773 4.155 . 0 0 "[ . 1 . 2]" 1
1073 1 88 VAL H 1 88 VAL HB . . 3.660 3.626 3.613 3.663 0.003 9 0 "[ . 1 . 2]" 1
1074 1 88 VAL H 1 88 VAL MG1 . . 3.210 2.207 1.959 2.539 . 0 0 "[ . 1 . 2]" 1
1075 1 88 VAL H 1 88 VAL MG2 . . 3.850 2.135 1.921 2.308 . 0 0 "[ . 1 . 2]" 1
1076 1 88 VAL H 1 89 HIS H . . 3.710 2.582 2.271 2.782 . 0 0 "[ . 1 . 2]" 1
1077 1 88 VAL HA 1 88 VAL MG1 . . 3.300 2.383 2.296 2.445 . 0 0 "[ . 1 . 2]" 1
1078 1 88 VAL HA 1 88 VAL MG2 . . 3.290 3.194 3.185 3.203 . 0 0 "[ . 1 . 2]" 1
1079 1 88 VAL HB 1 89 HIS H . . 4.190 3.944 3.805 4.090 . 0 0 "[ . 1 . 2]" 1
1080 1 88 VAL HB 1 89 HIS HA . . 5.010 4.595 4.482 4.740 . 0 0 "[ . 1 . 2]" 1
1081 1 88 VAL MG1 1 89 HIS H . . 4.150 3.957 3.882 4.004 . 0 0 "[ . 1 . 2]" 1
1082 1 88 VAL MG2 1 89 HIS H . . 3.620 2.142 1.923 2.437 . 0 0 "[ . 1 . 2]" 1
1083 1 89 HIS H 1 89 HIS QB . . 3.450 2.260 2.139 2.377 . 0 0 "[ . 1 . 2]" 1
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