NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601870 |
2mzj   |
19098 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzj
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 1362
_Distance_constraint_stats_list.Viol_count 2761
_Distance_constraint_stats_list.Viol_total 3852.911
_Distance_constraint_stats_list.Viol_max 0.854
_Distance_constraint_stats_list.Viol_rms 0.0303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0698
_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 2 ASN 2.136 0.086 2 0 "[ . 1 . 2]"
1 3 ARG 3.997 0.093 8 0 "[ . 1 . 2]"
1 4 PHE 3.997 0.104 11 0 "[ . 1 . 2]"
1 5 ILE 10.245 0.101 6 0 "[ . 1 . 2]"
1 6 VAL 0.247 0.049 2 0 "[ . 1 . 2]"
1 7 PHE 1.556 0.086 17 0 "[ . 1 . 2]"
1 8 VAL 1.240 0.112 1 0 "[ . 1 . 2]"
1 9 GLY 2.626 0.081 5 0 "[ . 1 . 2]"
1 10 SER 4.049 0.073 4 0 "[ . 1 . 2]"
1 11 LEU 7.905 0.175 18 0 "[ . 1 . 2]"
1 12 PRO 5.453 0.431 10 0 "[ . 1 . 2]"
1 13 ARG 3.113 0.222 7 0 "[ . 1 . 2]"
1 14 ASP 2.070 0.114 7 0 "[ . 1 . 2]"
1 15 ILE 11.152 0.105 4 0 "[ . 1 . 2]"
1 16 THR 4.261 0.093 13 0 "[ . 1 . 2]"
1 17 ALA 1.441 0.093 13 0 "[ . 1 . 2]"
1 18 VAL 3.221 0.080 16 0 "[ . 1 . 2]"
1 19 GLU 3.810 0.093 17 0 "[ . 1 . 2]"
1 20 LEU 7.082 0.650 6 6 "[ .+* -1* * * 2]"
1 21 GLN 2.799 0.092 16 0 "[ . 1 . 2]"
1 22 ASN 4.595 0.158 11 0 "[ . 1 . 2]"
1 23 HIS 3.372 0.070 1 0 "[ . 1 . 2]"
1 24 PHE 4.830 0.085 8 0 "[ . 1 . 2]"
1 25 LYS 13.122 0.669 9 2 "[ - +1 . 2]"
1 26 ASN 0.444 0.072 4 0 "[ . 1 . 2]"
1 27 SER 6.302 0.409 9 0 "[ . 1 . 2]"
1 28 SER 0.890 0.078 6 0 "[ . 1 . 2]"
1 29 PRO 9.336 0.434 2 0 "[ . 1 . 2]"
1 30 ASP 4.080 0.248 4 0 "[ . 1 . 2]"
1 31 GLN 7.917 0.352 11 0 "[ . 1 . 2]"
1 32 ILE 6.831 0.830 18 2 "[ . 1 - . + 2]"
1 33 ARG 4.543 0.830 18 2 "[ . 1 - . + 2]"
1 34 LEU 5.235 0.099 15 0 "[ . 1 . 2]"
1 35 ARG 2.986 0.091 6 0 "[ . 1 . 2]"
1 36 ALA 0.386 0.077 17 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 1.258 0.068 18 0 "[ . 1 . 2]"
1 39 GLY 2.354 0.175 18 0 "[ . 1 . 2]"
1 40 ILE 6.039 0.610 10 1 "[ . + . 2]"
1 41 ALA 0.826 0.187 12 0 "[ . 1 . 2]"
1 42 PHE 8.701 0.610 10 1 "[ . + . 2]"
1 43 LEU 4.714 0.099 11 0 "[ . 1 . 2]"
1 44 GLU 7.423 0.337 5 0 "[ . 1 . 2]"
1 45 PHE 6.404 0.306 11 0 "[ . 1 . 2]"
1 46 ASP 3.555 0.186 20 0 "[ . 1 . 2]"
1 47 ALA 2.226 0.086 2 0 "[ . 1 . 2]"
1 48 ASP 0.488 0.126 2 0 "[ . 1 . 2]"
1 49 LYS 8.232 0.594 12 1 "[ . 1 + . 2]"
1 50 ASP 3.101 0.594 12 1 "[ . 1 + . 2]"
1 51 ARG 2.620 0.103 15 0 "[ . 1 . 2]"
1 52 THR 1.655 0.103 15 0 "[ . 1 . 2]"
1 53 GLY 0.359 0.204 6 0 "[ . 1 . 2]"
1 54 ILE 8.853 0.306 11 0 "[ . 1 . 2]"
1 55 GLN 3.990 0.854 15 1 "[ . 1 + 2]"
1 56 ARG 2.999 0.854 15 1 "[ . 1 + 2]"
1 57 ARG 2.078 0.141 13 0 "[ . 1 . 2]"
1 58 MET 5.319 0.123 20 0 "[ . 1 . 2]"
1 59 ASP 3.044 0.096 14 0 "[ . 1 . 2]"
1 60 ILE 6.267 0.409 9 0 "[ . 1 . 2]"
1 61 ALA 0.573 0.166 10 0 "[ . 1 . 2]"
1 62 LEU 3.767 0.086 2 0 "[ . 1 . 2]"
1 63 LEU 2.759 0.076 15 0 "[ . 1 . 2]"
1 64 GLN 2.257 0.074 10 0 "[ . 1 . 2]"
1 65 HIS 5.182 0.082 2 0 "[ . 1 . 2]"
1 66 GLY 6.497 0.322 5 0 "[ . 1 . 2]"
1 67 THR 0.941 0.089 15 0 "[ . 1 . 2]"
1 68 LEU 9.387 0.120 8 0 "[ . 1 . 2]"
1 69 LEU 2.045 0.083 3 0 "[ . 1 . 2]"
1 70 LYS 9.851 0.440 13 0 "[ . 1 . 2]"
1 71 GLU 7.404 0.263 16 0 "[ . 1 . 2]"
1 72 LYS 2.641 0.093 10 0 "[ . 1 . 2]"
1 73 LYS 8.153 0.120 8 0 "[ . 1 . 2]"
1 74 ILE 6.481 0.322 5 0 "[ . 1 . 2]"
1 75 ASN 6.487 0.098 7 0 "[ . 1 . 2]"
1 76 VAL 2.331 0.076 15 0 "[ . 1 . 2]"
1 77 GLU 1.648 0.086 17 0 "[ . 1 . 2]"
1 78 LEU 1.339 0.080 2 0 "[ . 1 . 2]"
1 79 THR 3.089 0.101 6 0 "[ . 1 . 2]"
1 80 VAL 1.634 0.095 17 0 "[ . 1 . 2]"
1 81 GLY 0.860 0.095 17 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PHE QD 1 47 ALA H . . 5.500 3.952 3.111 4.768 . 0 0 "[ . 1 . 2]" 1
2 1 46 ASP HA 1 47 ALA H . . 3.500 2.114 1.980 2.186 . 0 0 "[ . 1 . 2]" 1
3 1 46 ASP HB3 1 47 ALA H . . 5.370 4.305 3.746 4.458 . 0 0 "[ . 1 . 2]" 1
4 1 3 ARG QB 1 47 ALA H . . 4.780 3.712 2.848 4.835 0.055 19 0 "[ . 1 . 2]" 1
5 1 6 VAL HB 1 7 PHE H . . 5.300 4.196 3.894 4.420 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL H 1 7 PHE H . . 4.690 4.374 4.179 4.549 . 0 0 "[ . 1 . 2]" 1
7 1 7 PHE H 1 77 GLU H . . 4.120 2.985 2.843 3.116 . 0 0 "[ . 1 . 2]" 1
8 1 7 PHE H 1 79 THR H . . 4.460 4.246 3.942 4.499 0.039 16 0 "[ . 1 . 2]" 1
9 1 7 PHE H 1 7 PHE QD . . 4.610 4.212 4.123 4.314 . 0 0 "[ . 1 . 2]" 1
10 1 7 PHE H 1 7 PHE QB . . 3.260 2.267 2.180 2.415 . 0 0 "[ . 1 . 2]" 1
11 1 7 PHE H 1 79 THR MG . . 4.670 3.351 2.376 4.568 . 0 0 "[ . 1 . 2]" 1
12 1 6 VAL MG2 1 7 PHE H . . 4.210 4.059 3.874 4.227 0.017 8 0 "[ . 1 . 2]" 1
13 1 6 VAL H 1 43 LEU MD1 . . 5.500 4.455 4.058 5.001 . 0 0 "[ . 1 . 2]" 1
14 1 6 VAL H 1 45 PHE QD . . 4.560 3.600 3.222 3.894 . 0 0 "[ . 1 . 2]" 1
15 1 6 VAL H 1 43 LEU HB2 . . 4.230 3.365 3.120 3.640 . 0 0 "[ . 1 . 2]" 1
16 1 35 ARG H 1 42 PHE H . . 4.820 4.751 4.308 4.887 0.067 20 0 "[ . 1 . 2]" 1
17 1 35 ARG H 1 36 ALA HA . . 5.090 4.564 4.431 4.731 . 0 0 "[ . 1 . 2]" 1
18 1 35 ARG H 1 35 ARG HB3 . . 3.810 3.606 3.410 3.770 . 0 0 "[ . 1 . 2]" 1
19 1 35 ARG H 1 40 ILE HG13 . . 5.160 3.870 3.441 5.230 0.070 6 0 "[ . 1 . 2]" 1
20 1 34 LEU HB2 1 35 ARG H . . 4.370 4.387 4.283 4.427 0.057 7 0 "[ . 1 . 2]" 1
21 1 35 ARG H 1 41 ALA MB . . 4.170 3.526 3.197 3.873 . 0 0 "[ . 1 . 2]" 1
22 1 34 LEU MD1 1 35 ARG H . . 3.770 3.454 3.197 3.709 . 0 0 "[ . 1 . 2]" 1
23 1 33 ARG H 1 41 ALA MB . . 5.090 3.651 3.253 4.087 . 0 0 "[ . 1 . 2]" 1
24 1 33 ARG H 1 42 PHE QD . . 5.500 4.819 4.562 5.227 . 0 0 "[ . 1 . 2]" 1
25 1 33 ARG H 1 42 PHE HB2 . . 4.630 3.723 3.456 3.931 . 0 0 "[ . 1 . 2]" 1
26 1 33 ARG H 1 42 PHE H . . 3.990 2.840 2.634 3.121 . 0 0 "[ . 1 . 2]" 1
27 1 33 ARG H 1 42 PHE HA . . 5.400 5.001 4.739 5.280 . 0 0 "[ . 1 . 2]" 1
28 1 33 ARG H 1 42 PHE HB3 . . 5.090 4.973 4.605 5.154 0.064 20 0 "[ . 1 . 2]" 1
29 1 33 ARG H 1 33 ARG HB3 . . 3.760 3.143 2.618 3.596 . 0 0 "[ . 1 . 2]" 1
30 1 32 ILE HG12 1 33 ARG H . . 4.700 4.742 4.300 5.530 0.830 18 2 "[ . 1 - . + 2]" 1
31 1 36 ALA H 1 39 GLY H . . 5.460 4.768 4.483 5.041 . 0 0 "[ . 1 . 2]" 1
32 1 35 ARG QD 1 36 ALA H . . 5.500 4.589 3.423 5.577 0.077 17 0 "[ . 1 . 2]" 1
33 1 35 ARG HB3 1 36 ALA H . . 5.390 4.173 4.053 4.319 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE H 1 8 VAL H . . 5.280 4.426 4.070 4.553 . 0 0 "[ . 1 . 2]" 1
35 1 8 VAL H 1 41 ALA H . . 3.860 2.925 2.681 3.230 . 0 0 "[ . 1 . 2]" 1
36 1 7 PHE QE 1 8 VAL H . . 5.290 4.489 3.965 5.221 . 0 0 "[ . 1 . 2]" 1
37 1 7 PHE QD 1 8 VAL H . . 4.640 3.467 2.649 4.143 . 0 0 "[ . 1 . 2]" 1
38 1 7 PHE HA 1 8 VAL H . . 3.160 2.268 2.144 2.335 . 0 0 "[ . 1 . 2]" 1
39 1 7 PHE QB 1 8 VAL H . . 4.210 3.834 3.644 4.087 . 0 0 "[ . 1 . 2]" 1
40 1 8 VAL H 1 8 VAL HB . . 3.650 2.811 2.312 2.952 . 0 0 "[ . 1 . 2]" 1
41 1 8 VAL H 1 8 VAL MG1 . . 4.490 3.947 3.665 4.002 . 0 0 "[ . 1 . 2]" 1
42 1 8 VAL H 1 8 VAL MG2 . . 4.110 2.761 2.484 2.926 . 0 0 "[ . 1 . 2]" 1
43 1 76 VAL H 1 76 VAL HB . . 3.960 2.714 2.572 2.938 . 0 0 "[ . 1 . 2]" 1
44 1 33 ARG H 1 34 LEU H . . 5.070 3.950 3.740 4.170 . 0 0 "[ . 1 . 2]" 1
45 1 34 LEU H 1 34 LEU HB3 . . 3.360 2.384 2.304 2.485 . 0 0 "[ . 1 . 2]" 1
46 1 34 LEU H 1 34 LEU HB2 . . 3.710 2.717 2.473 3.003 . 0 0 "[ . 1 . 2]" 1
47 1 34 LEU H 1 41 ALA MB . . 5.500 4.432 3.927 4.773 . 0 0 "[ . 1 . 2]" 1
48 1 20 LEU QD 1 34 LEU H . . 4.780 3.935 3.717 4.272 . 0 0 "[ . 1 . 2]" 1
49 1 32 ILE MG 1 34 LEU H . . 4.800 3.617 3.322 4.161 . 0 0 "[ . 1 . 2]" 1
50 1 69 LEU H 1 73 LYS HA . . 4.130 3.502 3.078 3.880 . 0 0 "[ . 1 . 2]" 1
51 1 69 LEU H 1 71 GLU HA . . 5.500 4.943 4.502 5.273 . 0 0 "[ . 1 . 2]" 1
52 1 68 LEU HB2 1 69 LEU H . . 4.310 4.347 4.168 4.393 0.083 3 0 "[ . 1 . 2]" 1
53 1 69 LEU H 1 69 LEU HB2 . . 3.660 2.746 2.246 3.282 . 0 0 "[ . 1 . 2]" 1
54 1 68 LEU HB3 1 69 LEU H . . 3.930 3.616 3.156 3.795 . 0 0 "[ . 1 . 2]" 1
55 1 69 LEU H 1 74 ILE MG . . 4.190 3.130 2.739 3.573 . 0 0 "[ . 1 . 2]" 1
56 1 68 LEU MD2 1 69 LEU H . . 4.380 3.684 2.747 3.872 . 0 0 "[ . 1 . 2]" 1
57 1 69 LEU H 1 69 LEU HB3 . . 3.880 2.926 2.411 3.477 . 0 0 "[ . 1 . 2]" 1
58 1 46 ASP H 1 47 ALA H . . 4.970 4.404 4.263 4.528 . 0 0 "[ . 1 . 2]" 1
59 1 45 PHE QD 1 46 ASP H . . 5.030 4.531 4.126 4.814 . 0 0 "[ . 1 . 2]" 1
60 1 45 PHE HB3 1 46 ASP H . . 4.700 3.408 2.940 3.782 . 0 0 "[ . 1 . 2]" 1
61 1 46 ASP H 1 46 ASP HB3 . . 3.400 2.600 2.445 3.448 0.048 14 0 "[ . 1 . 2]" 1
62 1 46 ASP H 1 46 ASP HB2 . . 3.450 2.727 2.193 3.184 . 0 0 "[ . 1 . 2]" 1
63 1 44 GLU QB 1 46 ASP H . . 5.250 4.856 4.242 5.312 0.062 10 0 "[ . 1 . 2]" 1
64 1 46 ASP H 1 54 ILE MD . . 4.990 3.727 3.189 4.176 . 0 0 "[ . 1 . 2]" 1
65 1 69 LEU H 1 70 LYS H . . 4.550 4.258 4.072 4.442 . 0 0 "[ . 1 . 2]" 1
66 1 70 LYS H 1 71 GLU H . . 3.820 2.873 2.745 3.015 . 0 0 "[ . 1 . 2]" 1
67 1 70 LYS H 1 70 LYS QE . . 5.290 4.832 3.293 5.369 0.079 9 0 "[ . 1 . 2]" 1
68 1 70 LYS H 1 70 LYS HB3 . . 4.190 3.987 3.906 4.079 . 0 0 "[ . 1 . 2]" 1
69 1 70 LYS H 1 70 LYS QG . . 3.820 2.547 2.352 2.811 . 0 0 "[ . 1 . 2]" 1
70 1 69 LEU HG 1 70 LYS H . . 4.950 3.893 3.108 4.873 . 0 0 "[ . 1 . 2]" 1
71 1 69 LEU HB3 1 70 LYS H . . 4.370 4.077 3.540 4.433 0.063 18 0 "[ . 1 . 2]" 1
72 1 73 LYS H 1 74 ILE H . . 4.460 4.398 4.186 4.533 0.073 8 0 "[ . 1 . 2]" 1
73 1 72 LYS H 1 73 LYS H . . 4.660 4.284 4.109 4.520 . 0 0 "[ . 1 . 2]" 1
74 1 72 LYS HB3 1 73 LYS H . . 3.910 3.469 2.768 3.841 . 0 0 "[ . 1 . 2]" 1
75 1 73 LYS H 1 73 LYS HB3 . . 3.140 2.610 2.470 2.910 . 0 0 "[ . 1 . 2]" 1
76 1 73 LYS H 1 73 LYS HB2 . . 3.310 2.505 2.294 2.975 . 0 0 "[ . 1 . 2]" 1
77 1 73 LYS H 1 73 LYS QG . . 4.860 3.992 3.904 4.068 . 0 0 "[ . 1 . 2]" 1
78 1 73 LYS H 1 74 ILE MG . . 5.050 4.425 3.833 4.782 . 0 0 "[ . 1 . 2]" 1
79 1 68 LEU MD2 1 73 LYS H . . 4.570 3.096 2.801 3.710 . 0 0 "[ . 1 . 2]" 1
80 1 24 PHE QD 1 61 ALA H . . 5.500 4.893 4.661 5.427 . 0 0 "[ . 1 . 2]" 1
81 1 59 ASP HB2 1 61 ALA H . . 5.370 5.024 4.675 5.310 . 0 0 "[ . 1 . 2]" 1
82 1 60 ILE HG12 1 61 ALA H . . 5.330 5.276 5.157 5.378 0.048 8 0 "[ . 1 . 2]" 1
83 1 61 ALA H 1 62 LEU H . . 3.420 2.548 2.283 2.683 . 0 0 "[ . 1 . 2]" 1
84 1 58 MET H 1 61 ALA H . . 4.980 4.768 4.652 5.014 0.034 8 0 "[ . 1 . 2]" 1
85 1 60 ILE HB 1 61 ALA H . . 3.460 2.874 2.734 3.123 . 0 0 "[ . 1 . 2]" 1
86 1 61 ALA H 1 61 ALA MB . . 3.320 2.257 2.206 2.318 . 0 0 "[ . 1 . 2]" 1
87 1 60 ILE MG 1 61 ALA H . . 4.200 3.543 3.347 3.816 . 0 0 "[ . 1 . 2]" 1
88 1 77 GLU H 1 78 LEU H . . 5.300 4.380 4.321 4.487 . 0 0 "[ . 1 . 2]" 1
89 1 78 LEU H 1 79 THR H . . 4.990 4.581 4.519 4.697 . 0 0 "[ . 1 . 2]" 1
90 1 77 GLU HA 1 78 LEU H . . 2.990 2.547 2.338 2.677 . 0 0 "[ . 1 . 2]" 1
91 1 78 LEU H 1 78 LEU QD . . 3.940 2.975 2.410 3.371 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL MG2 1 43 LEU H . . 4.970 4.108 3.620 4.667 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL H 1 43 LEU H . . 5.480 5.197 4.645 5.530 0.050 13 0 "[ . 1 . 2]" 1
94 1 42 PHE QD 1 43 LEU H . . 4.450 4.244 3.821 4.523 0.073 20 0 "[ . 1 . 2]" 1
95 1 42 PHE HB3 1 43 LEU H . . 4.160 3.289 2.787 3.786 . 0 0 "[ . 1 . 2]" 1
96 1 42 PHE HB2 1 43 LEU H . . 4.480 4.183 3.890 4.450 . 0 0 "[ . 1 . 2]" 1
97 1 6 VAL HB 1 43 LEU H . . 4.310 3.503 2.956 3.847 . 0 0 "[ . 1 . 2]" 1
98 1 43 LEU H 1 43 LEU HB2 . . 3.780 2.674 2.474 2.821 . 0 0 "[ . 1 . 2]" 1
99 1 43 LEU H 1 43 LEU HG . . 3.840 3.823 3.466 3.906 0.066 16 0 "[ . 1 . 2]" 1
100 1 5 ILE MG 1 43 LEU H . . 4.090 2.669 2.232 2.909 . 0 0 "[ . 1 . 2]" 1
101 1 16 THR HB 1 17 ALA H . . 3.620 2.973 2.631 3.518 . 0 0 "[ . 1 . 2]" 1
102 1 17 ALA H 1 18 VAL HB . . 5.290 5.128 4.776 5.348 0.058 12 0 "[ . 1 . 2]" 1
103 1 16 THR MG 1 17 ALA H . . 4.670 3.344 2.308 3.855 . 0 0 "[ . 1 . 2]" 1
104 1 17 ALA H 1 20 LEU QD . . 4.690 4.502 4.319 4.655 . 0 0 "[ . 1 . 2]" 1
105 1 76 VAL H 1 77 GLU H . . 5.150 4.293 3.909 4.454 . 0 0 "[ . 1 . 2]" 1
106 1 7 PHE QD 1 77 GLU H . . 4.750 3.706 3.358 4.623 . 0 0 "[ . 1 . 2]" 1
107 1 77 GLU H 1 78 LEU HA . . 4.970 4.751 4.589 5.017 0.047 19 0 "[ . 1 . 2]" 1
108 1 77 GLU H 1 77 GLU QG . . 4.130 2.685 2.310 3.073 . 0 0 "[ . 1 . 2]" 1
109 1 77 GLU H 1 77 GLU HB2 . . 4.200 3.650 2.967 4.002 . 0 0 "[ . 1 . 2]" 1
110 1 6 VAL MG1 1 77 GLU H . . 4.370 3.211 2.903 3.765 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL HA 1 77 GLU H . . 4.430 3.850 3.652 4.069 . 0 0 "[ . 1 . 2]" 1
112 1 7 PHE QB 1 77 GLU H . . 4.280 2.917 2.372 3.437 . 0 0 "[ . 1 . 2]" 1
113 1 76 VAL MG1 1 77 GLU H . . 4.080 2.573 2.306 3.169 . 0 0 "[ . 1 . 2]" 1
114 1 4 PHE H 1 47 ALA H . . 4.920 4.033 3.733 4.338 . 0 0 "[ . 1 . 2]" 1
115 1 4 PHE H 1 4 PHE QD . . 4.050 2.759 2.288 3.375 . 0 0 "[ . 1 . 2]" 1
116 1 4 PHE H 1 46 ASP HA . . 4.660 4.038 3.690 4.723 0.063 7 0 "[ . 1 . 2]" 1
117 1 4 PHE H 1 4 PHE QB . . 3.440 2.479 2.283 2.714 . 0 0 "[ . 1 . 2]" 1
118 1 3 ARG QD 1 4 PHE H . . 4.510 3.633 2.556 4.568 0.058 5 0 "[ . 1 . 2]" 1
119 1 3 ARG QB 1 4 PHE H . . 3.720 3.083 2.301 3.812 0.092 11 0 "[ . 1 . 2]" 1
120 1 4 PHE H 1 47 ALA MB . . 4.670 4.039 3.454 4.726 0.056 13 0 "[ . 1 . 2]" 1
121 1 4 PHE H 1 54 ILE MD . . 5.200 3.686 3.226 4.255 . 0 0 "[ . 1 . 2]" 1
122 1 4 PHE H 1 5 ILE MD . . 5.500 5.285 4.515 5.567 0.067 18 0 "[ . 1 . 2]" 1
123 1 65 HIS H 1 76 VAL H . . 4.940 4.997 4.966 5.016 0.076 15 0 "[ . 1 . 2]" 1
124 1 65 HIS H 1 66 GLY H . . 4.330 4.397 4.382 4.412 0.082 2 0 "[ . 1 . 2]" 1
125 1 63 LEU H 1 65 HIS H . . 5.220 4.507 4.366 4.627 . 0 0 "[ . 1 . 2]" 1
126 1 62 LEU HA 1 65 HIS H . . 4.620 4.055 3.828 4.372 . 0 0 "[ . 1 . 2]" 1
127 1 65 HIS H 1 65 HIS HB2 . . 3.210 2.434 2.279 2.570 . 0 0 "[ . 1 . 2]" 1
128 1 65 HIS H 1 65 HIS HB3 . . 3.170 2.491 2.263 2.700 . 0 0 "[ . 1 . 2]" 1
129 1 64 GLN HB2 1 65 HIS H . . 4.970 3.803 3.611 4.093 . 0 0 "[ . 1 . 2]" 1
130 1 65 HIS H 1 76 VAL HB . . 3.740 3.237 3.006 3.412 . 0 0 "[ . 1 . 2]" 1
131 1 64 GLN HB3 1 65 HIS H . . 4.550 4.515 4.387 4.601 0.051 15 0 "[ . 1 . 2]" 1
132 1 65 HIS H 1 76 VAL MG2 . . 4.630 3.367 3.063 3.934 . 0 0 "[ . 1 . 2]" 1
133 1 63 LEU QD 1 65 HIS H . . 5.280 4.862 4.766 4.955 . 0 0 "[ . 1 . 2]" 1
134 1 31 GLN H 1 32 ILE H . . 4.660 4.445 4.203 4.589 . 0 0 "[ . 1 . 2]" 1
135 1 32 ILE H 1 33 ARG H . . 5.060 4.112 3.899 4.486 . 0 0 "[ . 1 . 2]" 1
136 1 32 ILE H 1 43 LEU HA . . 4.960 4.837 4.486 5.028 0.068 19 0 "[ . 1 . 2]" 1
137 1 31 GLN QG 1 32 ILE H . . 4.110 2.365 1.790 3.445 . 0 0 "[ . 1 . 2]" 1
138 1 32 ILE H 1 32 ILE HB . . 3.500 2.746 2.550 3.010 . 0 0 "[ . 1 . 2]" 1
139 1 32 ILE H 1 32 ILE HG12 . . 4.290 4.277 4.083 4.746 0.456 18 0 "[ . 1 . 2]" 1
140 1 32 ILE H 1 32 ILE MD . . 4.320 3.960 2.306 4.348 0.028 13 0 "[ . 1 . 2]" 1
141 1 50 ASP HA 1 51 ARG H . . 3.300 2.275 2.145 2.497 . 0 0 "[ . 1 . 2]" 1
142 1 51 ARG H 1 51 ARG QD . . 5.320 4.072 2.112 4.604 . 0 0 "[ . 1 . 2]" 1
143 1 50 ASP QB 1 51 ARG H . . 4.570 4.001 3.848 4.098 . 0 0 "[ . 1 . 2]" 1
144 1 51 ARG H 1 51 ARG QB . . 3.360 2.267 2.026 2.627 . 0 0 "[ . 1 . 2]" 1
145 1 51 ARG H 1 51 ARG QG . . 3.910 3.109 2.093 3.983 0.073 7 0 "[ . 1 . 2]" 1
146 1 30 ASP H 1 45 PHE HB2 . . 5.500 5.304 4.981 5.545 0.045 4 0 "[ . 1 . 2]" 1
147 1 30 ASP H 1 44 GLU QB . . 4.630 3.817 3.389 4.221 . 0 0 "[ . 1 . 2]" 1
148 1 23 HIS H 1 25 LYS H . . 4.490 3.990 3.752 4.159 . 0 0 "[ . 1 . 2]" 1
149 1 24 PHE H 1 25 LYS H . . 3.370 2.596 2.282 2.925 . 0 0 "[ . 1 . 2]" 1
150 1 24 PHE QD 1 25 LYS H . . 4.810 4.876 4.784 4.895 0.085 8 0 "[ . 1 . 2]" 1
151 1 22 ASN HA 1 25 LYS H . . 3.980 3.512 3.217 3.778 . 0 0 "[ . 1 . 2]" 1
152 1 24 PHE HB3 1 25 LYS H . . 4.720 4.423 4.357 4.510 . 0 0 "[ . 1 . 2]" 1
153 1 23 HIS HB3 1 25 LYS H . . 5.170 5.040 4.688 5.231 0.061 2 0 "[ . 1 . 2]" 1
154 1 24 PHE HB2 1 25 LYS H . . 4.550 3.846 3.749 3.977 . 0 0 "[ . 1 . 2]" 1
155 1 25 LYS H 1 25 LYS HB3 . . 3.320 2.685 2.053 3.319 . 0 0 "[ . 1 . 2]" 1
156 1 25 LYS H 1 25 LYS HB2 . . 3.290 2.563 1.927 3.399 0.109 15 0 "[ . 1 . 2]" 1
157 1 25 LYS H 1 25 LYS QD . . 4.540 4.050 3.630 4.603 0.063 13 0 "[ . 1 . 2]" 1
158 1 25 LYS H 1 25 LYS HG3 . . 3.660 3.890 3.633 4.329 0.669 9 2 "[ - +1 . 2]" 1
159 1 25 LYS H 1 25 LYS HG2 . . 4.260 3.622 2.672 4.339 0.079 2 0 "[ . 1 . 2]" 1
160 1 30 ASP H 1 45 PHE QD . . 4.530 4.112 3.824 4.351 . 0 0 "[ . 1 . 2]" 1
161 1 30 ASP H 1 46 ASP H . . 4.560 4.397 3.868 4.624 0.064 3 0 "[ . 1 . 2]" 1
162 1 30 ASP H 1 44 GLU H . . 5.270 3.865 3.604 4.149 . 0 0 "[ . 1 . 2]" 1
163 1 30 ASP H 1 45 PHE HA . . 3.840 2.820 2.405 3.074 . 0 0 "[ . 1 . 2]" 1
164 1 30 ASP H 1 30 ASP HB3 . . 3.780 2.498 2.281 2.833 . 0 0 "[ . 1 . 2]" 1
165 1 30 ASP H 1 30 ASP HB2 . . 3.530 2.726 2.455 2.958 . 0 0 "[ . 1 . 2]" 1
166 1 29 PRO HB3 1 30 ASP H . . 4.100 3.599 3.348 3.824 . 0 0 "[ . 1 . 2]" 1
167 1 29 PRO HB2 1 30 ASP H . . 4.110 2.775 2.423 3.047 . 0 0 "[ . 1 . 2]" 1
168 1 68 LEU MD1 1 72 LYS H . . 5.030 5.098 4.961 5.123 0.093 10 0 "[ . 1 . 2]" 1
169 1 40 ILE H 1 41 ALA H . . 4.540 4.381 4.328 4.437 . 0 0 "[ . 1 . 2]" 1
170 1 9 GLY QA 1 41 ALA H . . 4.920 3.599 3.412 3.842 . 0 0 "[ . 1 . 2]" 1
171 1 40 ILE HB 1 41 ALA H . . 3.260 2.401 2.247 2.687 . 0 0 "[ . 1 . 2]" 1
172 1 41 ALA H 1 41 ALA MB . . 3.530 2.654 2.528 2.766 . 0 0 "[ . 1 . 2]" 1
173 1 8 VAL MG2 1 41 ALA H . . 4.770 4.308 3.866 4.701 . 0 0 "[ . 1 . 2]" 1
174 1 11 LEU MD2 1 41 ALA H . . 4.280 3.547 3.193 4.196 . 0 0 "[ . 1 . 2]" 1
175 1 55 GLN H 1 56 ARG H . . 3.530 2.906 2.779 3.042 . 0 0 "[ . 1 . 2]" 1
176 1 54 ILE H 1 55 GLN H . . 3.720 2.809 2.585 3.056 . 0 0 "[ . 1 . 2]" 1
177 1 55 GLN H 1 55 GLN QG . . 3.930 3.925 3.766 3.988 0.058 13 0 "[ . 1 . 2]" 1
178 1 54 ILE HB 1 55 GLN H . . 3.950 3.974 3.845 4.018 0.068 1 0 "[ . 1 . 2]" 1
179 1 55 GLN H 1 55 GLN QB . . 2.900 2.134 2.038 2.245 . 0 0 "[ . 1 . 2]" 1
180 1 55 GLN H 1 56 ARG HB2 . . 5.130 4.888 4.688 5.103 . 0 0 "[ . 1 . 2]" 1
181 1 54 ILE HG12 1 55 GLN H . . 5.110 4.779 4.572 5.099 . 0 0 "[ . 1 . 2]" 1
182 1 54 ILE MG 1 55 GLN H . . 3.480 2.201 2.073 2.387 . 0 0 "[ . 1 . 2]" 1
183 1 69 LEU H 1 72 LYS H . . 3.590 2.869 2.581 3.400 . 0 0 "[ . 1 . 2]" 1
184 1 71 GLU H 1 72 LYS H . . 3.570 2.836 2.607 3.023 . 0 0 "[ . 1 . 2]" 1
185 1 68 LEU HA 1 72 LYS H . . 4.400 3.798 3.285 4.278 . 0 0 "[ . 1 . 2]" 1
186 1 72 LYS H 1 72 LYS HB3 . . 3.670 3.619 3.371 3.723 0.053 9 0 "[ . 1 . 2]" 1
187 1 72 LYS H 1 72 LYS HB2 . . 3.380 2.522 2.367 2.659 . 0 0 "[ . 1 . 2]" 1
188 1 72 LYS H 1 72 LYS QD . . 4.990 4.583 4.335 4.827 . 0 0 "[ . 1 . 2]" 1
189 1 72 LYS H 1 72 LYS HG2 . . 4.060 3.555 3.159 4.131 0.071 4 0 "[ . 1 . 2]" 1
190 1 68 LEU HB3 1 72 LYS H . . 4.730 3.921 3.427 4.651 . 0 0 "[ . 1 . 2]" 1
191 1 68 LEU MD2 1 72 LYS H . . 4.980 3.930 2.413 4.541 . 0 0 "[ . 1 . 2]" 1
192 1 4 PHE QD 1 5 ILE H . . 4.630 3.935 3.727 4.141 . 0 0 "[ . 1 . 2]" 1
193 1 5 ILE H 1 6 VAL H . . 4.780 4.339 4.227 4.420 . 0 0 "[ . 1 . 2]" 1
194 1 4 PHE QB 1 5 ILE H . . 3.740 2.502 2.383 2.743 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLN H 1 23 HIS H . . 5.120 4.359 4.113 4.590 . 0 0 "[ . 1 . 2]" 1
196 1 23 HIS H 1 24 PHE QD . . 4.710 4.443 4.146 4.774 0.064 2 0 "[ . 1 . 2]" 1
197 1 45 PHE H 1 46 ASP H . . 4.910 4.160 3.913 4.360 . 0 0 "[ . 1 . 2]" 1
198 1 45 PHE H 1 45 PHE QD . . 3.770 3.017 2.830 3.306 . 0 0 "[ . 1 . 2]" 1
199 1 4 PHE QB 1 45 PHE H . . 4.300 4.014 3.767 4.383 0.083 16 0 "[ . 1 . 2]" 1
200 1 45 PHE H 1 45 PHE HB3 . . 3.800 3.787 3.676 3.840 0.040 18 0 "[ . 1 . 2]" 1
201 1 44 GLU QB 1 45 PHE H . . 4.050 2.761 2.595 3.051 . 0 0 "[ . 1 . 2]" 1
202 1 5 ILE MG 1 45 PHE H . . 5.240 5.029 4.533 5.307 0.067 12 0 "[ . 1 . 2]" 1
203 1 5 ILE MD 1 45 PHE H . . 5.500 5.279 4.901 5.489 . 0 0 "[ . 1 . 2]" 1
204 1 23 HIS H 1 23 HIS HD2 . . 5.370 5.302 5.070 5.430 0.060 7 0 "[ . 1 . 2]" 1
205 1 21 GLN HA 1 23 HIS H . . 5.140 4.666 4.283 5.117 . 0 0 "[ . 1 . 2]" 1
206 1 23 HIS H 1 23 HIS HB2 . . 3.000 2.142 2.064 2.231 . 0 0 "[ . 1 . 2]" 1
207 1 22 ASN QB 1 23 HIS H . . 3.480 2.706 2.345 3.550 0.070 1 0 "[ . 1 . 2]" 1
208 1 21 GLN QB 1 23 HIS H . . 5.380 4.874 4.571 5.117 . 0 0 "[ . 1 . 2]" 1
209 1 23 HIS H 1 24 PHE HA . . 5.500 5.389 5.275 5.513 0.013 14 0 "[ . 1 . 2]" 1
210 1 44 GLU H 1 45 PHE H . . 4.710 4.585 4.499 4.636 . 0 0 "[ . 1 . 2]" 1
211 1 43 LEU HA 1 44 GLU H . . 3.460 2.141 2.045 2.239 . 0 0 "[ . 1 . 2]" 1
212 1 44 GLU H 1 44 GLU QB . . 3.420 2.445 2.169 2.741 . 0 0 "[ . 1 . 2]" 1
213 1 43 LEU HB3 1 44 GLU H . . 4.310 3.489 3.124 3.672 . 0 0 "[ . 1 . 2]" 1
214 1 43 LEU MD1 1 44 GLU H . . 5.500 5.094 4.925 5.202 . 0 0 "[ . 1 . 2]" 1
215 1 43 LEU H 1 44 GLU H . . 4.870 4.130 3.932 4.301 . 0 0 "[ . 1 . 2]" 1
216 1 75 ASN H 1 76 VAL H . . 4.930 4.492 4.371 4.567 . 0 0 "[ . 1 . 2]" 1
217 1 74 ILE H 1 75 ASN H . . 4.530 4.545 4.473 4.587 0.057 11 0 "[ . 1 . 2]" 1
218 1 74 ILE HB 1 75 ASN H . . 3.370 2.284 2.051 2.472 . 0 0 "[ . 1 . 2]" 1
219 1 74 ILE HG13 1 75 ASN H . . 5.500 3.549 3.117 4.221 . 0 0 "[ . 1 . 2]" 1
220 1 74 ILE HG12 1 75 ASN H . . 4.950 4.573 4.387 4.757 . 0 0 "[ . 1 . 2]" 1
221 1 75 ASN H 1 76 VAL MG2 . . 5.490 4.106 3.813 4.364 . 0 0 "[ . 1 . 2]" 1
222 1 8 VAL MG1 1 75 ASN H . . 4.940 3.461 3.207 4.254 . 0 0 "[ . 1 . 2]" 1
223 1 74 ILE MG 1 75 ASN H . . 4.320 3.720 3.589 3.797 . 0 0 "[ . 1 . 2]" 1
224 1 74 ILE MD 1 75 ASN H . . 4.740 3.802 2.730 4.341 . 0 0 "[ . 1 . 2]" 1
225 1 32 ILE HA 1 44 GLU H . . 4.560 4.265 3.553 4.617 0.057 13 0 "[ . 1 . 2]" 1
226 1 43 LEU HG 1 44 GLU H . . 5.400 4.379 3.953 4.575 . 0 0 "[ . 1 . 2]" 1
227 1 30 ASP HB3 1 44 GLU H . . 5.500 4.224 3.779 4.741 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU H 1 23 HIS H . . 5.000 4.726 4.596 4.885 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU H 1 22 ASN QB . . 5.420 4.774 4.396 5.256 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU H 1 21 GLN H . . 3.350 2.755 2.179 2.928 . 0 0 "[ . 1 . 2]" 1
231 1 17 ALA HA 1 20 LEU H . . 4.020 3.250 3.028 3.452 . 0 0 "[ . 1 . 2]" 1
232 1 19 GLU HB2 1 20 LEU H . . 3.600 2.717 2.317 3.368 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU H 1 20 LEU HB2 . . 3.210 2.288 1.977 2.519 . 0 0 "[ . 1 . 2]" 1
234 1 13 ARG H 1 13 ARG HB2 . . 3.850 2.323 2.043 2.546 . 0 0 "[ . 1 . 2]" 1
235 1 69 LEU H 1 74 ILE H . . 4.690 3.853 3.345 4.706 0.016 8 0 "[ . 1 . 2]" 1
236 1 67 THR H 1 74 ILE H . . 4.770 4.037 3.806 4.595 . 0 0 "[ . 1 . 2]" 1
237 1 68 LEU HA 1 74 ILE H . . 4.000 3.552 3.295 3.956 . 0 0 "[ . 1 . 2]" 1
238 1 66 GLY HA2 1 74 ILE H . . 5.050 3.901 3.254 4.809 . 0 0 "[ . 1 . 2]" 1
239 1 74 ILE H 1 74 ILE HB . . 4.210 3.735 3.621 3.892 . 0 0 "[ . 1 . 2]" 1
240 1 73 LYS HB3 1 74 ILE H . . 4.230 4.157 3.542 4.305 0.075 10 0 "[ . 1 . 2]" 1
241 1 74 ILE H 1 74 ILE HG13 . . 3.300 3.010 2.098 3.366 0.066 15 0 "[ . 1 . 2]" 1
242 1 74 ILE H 1 74 ILE HG12 . . 3.670 2.435 1.924 3.347 . 0 0 "[ . 1 . 2]" 1
243 1 74 ILE H 1 74 ILE MG . . 3.720 2.620 2.247 3.043 . 0 0 "[ . 1 . 2]" 1
244 1 74 ILE H 1 74 ILE MD . . 4.160 3.862 3.488 4.094 . 0 0 "[ . 1 . 2]" 1
245 1 5 ILE HB 1 80 VAL H . . 5.500 5.147 4.443 5.528 0.028 11 0 "[ . 1 . 2]" 1
246 1 3 ARG H 1 4 PHE H . . 4.980 4.281 4.007 4.529 . 0 0 "[ . 1 . 2]" 1
247 1 2 ASN HA 1 3 ARG H . . 3.180 2.988 2.635 3.263 0.083 20 0 "[ . 1 . 2]" 1
248 1 3 ARG H 1 3 ARG QD . . 4.990 4.636 3.921 5.053 0.063 18 0 "[ . 1 . 2]" 1
249 1 2 ASN QB 1 3 ARG H . . 4.350 4.019 3.762 4.157 . 0 0 "[ . 1 . 2]" 1
250 1 3 ARG H 1 3 ARG QB . . 3.680 2.933 2.453 3.382 . 0 0 "[ . 1 . 2]" 1
251 1 15 ILE H 1 16 THR H . . 4.860 4.728 4.603 4.788 . 0 0 "[ . 1 . 2]" 1
252 1 14 ASP HB3 1 15 ILE H . . 4.480 4.140 3.719 4.518 0.038 10 0 "[ . 1 . 2]" 1
253 1 14 ASP HB2 1 15 ILE H . . 4.730 4.305 3.772 4.561 . 0 0 "[ . 1 . 2]" 1
254 1 12 PRO HB3 1 15 ILE H . . 4.890 4.931 4.673 4.959 0.069 11 0 "[ . 1 . 2]" 1
255 1 12 PRO HB2 1 15 ILE H . . 4.040 3.299 3.023 3.394 . 0 0 "[ . 1 . 2]" 1
256 1 15 ILE H 1 15 ILE HB . . 2.970 2.462 2.367 2.629 . 0 0 "[ . 1 . 2]" 1
257 1 15 ILE H 1 15 ILE HG12 . . 4.670 4.610 4.525 4.707 0.037 17 0 "[ . 1 . 2]" 1
258 1 15 ILE H 1 15 ILE MG . . 3.240 2.044 1.914 2.156 . 0 0 "[ . 1 . 2]" 1
259 1 15 ILE H 1 34 LEU MD1 . . 5.500 4.795 4.473 5.075 . 0 0 "[ . 1 . 2]" 1
260 1 12 PRO HD2 1 15 ILE H . . 4.870 4.645 4.248 4.925 0.055 18 0 "[ . 1 . 2]" 1
261 1 62 LEU H 1 63 LEU H . . 3.470 2.655 2.546 2.812 . 0 0 "[ . 1 . 2]" 1
262 1 63 LEU H 1 64 GLN H . . 3.310 2.807 2.574 3.020 . 0 0 "[ . 1 . 2]" 1
263 1 63 LEU H 1 64 GLN HE21 . . 5.230 4.117 3.656 5.299 0.069 15 0 "[ . 1 . 2]" 1
264 1 60 ILE HA 1 63 LEU H . . 3.830 3.492 3.231 3.778 . 0 0 "[ . 1 . 2]" 1
265 1 63 LEU H 1 64 GLN HG2 . . 4.950 4.124 3.875 4.807 . 0 0 "[ . 1 . 2]" 1
266 1 63 LEU H 1 63 LEU HB2 . . 2.820 2.242 2.127 2.325 . 0 0 "[ . 1 . 2]" 1
267 1 63 LEU H 1 63 LEU HB3 . . 3.510 3.531 3.458 3.570 0.060 11 0 "[ . 1 . 2]" 1
268 1 63 LEU H 1 63 LEU QD . . 3.720 3.250 3.138 3.434 . 0 0 "[ . 1 . 2]" 1
269 1 50 ASP H 1 54 ILE H . . 4.810 4.621 4.276 4.855 0.045 2 0 "[ . 1 . 2]" 1
270 1 50 ASP QB 1 54 ILE H . . 4.780 2.916 2.343 3.161 . 0 0 "[ . 1 . 2]" 1
271 1 53 GLY H 1 54 ILE H . . 3.650 2.325 1.993 2.701 . 0 0 "[ . 1 . 2]" 1
272 1 16 THR HA 1 19 GLU H . . 4.610 4.670 4.613 4.687 0.077 1 0 "[ . 1 . 2]" 1
273 1 54 ILE H 1 55 GLN HA . . 5.500 5.414 5.210 5.561 0.061 14 0 "[ . 1 . 2]" 1
274 1 54 ILE H 1 54 ILE HB . . 3.230 2.473 2.344 2.637 . 0 0 "[ . 1 . 2]" 1
275 1 54 ILE H 1 54 ILE HG13 . . 4.580 4.488 4.420 4.595 0.015 9 0 "[ . 1 . 2]" 1
276 1 54 ILE H 1 54 ILE MG . . 3.500 2.080 1.886 2.703 . 0 0 "[ . 1 . 2]" 1
277 1 51 ARG HA 1 54 ILE H . . 4.940 4.332 3.924 4.698 . 0 0 "[ . 1 . 2]" 1
278 1 19 GLU H 1 22 ASN QB . . 5.450 4.670 4.415 5.289 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLN H 1 22 ASN H . . 3.500 2.718 2.558 2.793 . 0 0 "[ . 1 . 2]" 1
280 1 19 GLU H 1 21 GLN H . . 4.650 4.221 4.051 4.353 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLN H 1 22 ASN HA . . 5.300 5.333 5.186 5.367 0.067 8 0 "[ . 1 . 2]" 1
282 1 21 GLN H 1 21 GLN QG . . 3.660 2.626 2.300 3.752 0.092 16 0 "[ . 1 . 2]" 1
283 1 21 GLN H 1 21 GLN QB . . 2.910 2.263 2.016 2.442 . 0 0 "[ . 1 . 2]" 1
284 1 20 LEU HB3 1 21 GLN H . . 3.750 3.252 2.596 3.557 . 0 0 "[ . 1 . 2]" 1
285 1 20 LEU HB2 1 21 GLN H . . 3.530 2.694 2.415 3.017 . 0 0 "[ . 1 . 2]" 1
286 1 21 GLN H 1 32 ILE MD . . 4.330 3.922 3.223 4.409 0.079 8 0 "[ . 1 . 2]" 1
287 1 17 ALA MB 1 21 GLN H . . 5.500 4.201 4.019 4.334 . 0 0 "[ . 1 . 2]" 1
288 1 16 THR MG 1 19 GLU H . . 5.500 4.516 3.693 4.967 . 0 0 "[ . 1 . 2]" 1
289 1 19 GLU H 1 20 LEU H . . 3.310 2.552 2.462 2.617 . 0 0 "[ . 1 . 2]" 1
290 1 16 THR HB 1 19 GLU H . . 4.570 3.283 2.202 3.824 . 0 0 "[ . 1 . 2]" 1
291 1 19 GLU H 1 19 GLU QG . . 3.220 2.415 1.789 3.026 . 0 0 "[ . 1 . 2]" 1
292 1 18 VAL HB 1 19 GLU H . . 4.230 3.594 2.438 4.274 0.044 9 0 "[ . 1 . 2]" 1
293 1 19 GLU H 1 19 GLU HB3 . . 3.610 3.523 3.449 3.579 . 0 0 "[ . 1 . 2]" 1
294 1 15 ILE HG13 1 19 GLU H . . 5.200 5.207 4.960 5.272 0.072 8 0 "[ . 1 . 2]" 1
295 1 18 VAL QG 1 19 GLU H . . 4.180 2.649 2.144 3.371 . 0 0 "[ . 1 . 2]" 1
296 1 55 GLN HA 1 59 ASP H . . 4.580 4.130 4.015 4.346 . 0 0 "[ . 1 . 2]" 1
297 1 59 ASP H 1 59 ASP HB2 . . 3.510 2.227 1.954 2.570 . 0 0 "[ . 1 . 2]" 1
298 1 58 MET HG3 1 59 ASP H . . 5.230 4.800 4.597 5.022 . 0 0 "[ . 1 . 2]" 1
299 1 58 MET HB2 1 59 ASP H . . 3.720 2.887 2.682 3.190 . 0 0 "[ . 1 . 2]" 1
300 1 58 MET HB3 1 59 ASP H . . 4.140 3.333 2.838 3.833 . 0 0 "[ . 1 . 2]" 1
301 1 59 ASP H 1 62 LEU MD1 . . 5.450 4.094 3.664 4.549 . 0 0 "[ . 1 . 2]" 1
302 1 56 ARG HA 1 60 ILE H . . 4.670 3.933 3.674 4.327 . 0 0 "[ . 1 . 2]" 1
303 1 60 ILE H 1 61 ALA MB . . 5.500 4.399 4.312 4.503 . 0 0 "[ . 1 . 2]" 1
304 1 59 ASP H 1 60 ILE H . . 3.530 2.820 2.598 2.990 . 0 0 "[ . 1 . 2]" 1
305 1 58 MET H 1 60 ILE H . . 5.390 4.372 4.163 4.568 . 0 0 "[ . 1 . 2]" 1
306 1 27 SER HB2 1 60 ILE H . . 5.190 5.212 4.748 5.599 0.409 9 0 "[ . 1 . 2]" 1
307 1 58 MET HA 1 60 ILE H . . 4.820 4.532 4.098 4.843 0.023 18 0 "[ . 1 . 2]" 1
308 1 59 ASP HB2 1 60 ILE H . . 3.660 2.743 2.270 3.211 . 0 0 "[ . 1 . 2]" 1
309 1 59 ASP HB3 1 60 ILE H . . 3.850 2.853 2.211 3.503 . 0 0 "[ . 1 . 2]" 1
310 1 60 ILE H 1 60 ILE HB . . 2.910 2.342 2.263 2.464 . 0 0 "[ . 1 . 2]" 1
311 1 60 ILE H 1 60 ILE HG12 . . 3.750 3.687 3.560 3.789 0.039 6 0 "[ . 1 . 2]" 1
312 1 60 ILE H 1 60 ILE MG . . 3.860 3.744 3.693 3.801 . 0 0 "[ . 1 . 2]" 1
313 1 56 ARG H 1 57 ARG H . . 3.700 2.870 2.738 2.990 . 0 0 "[ . 1 . 2]" 1
314 1 53 GLY HA3 1 56 ARG H . . 4.870 4.682 4.423 5.074 0.204 6 0 "[ . 1 . 2]" 1
315 1 56 ARG H 1 56 ARG HD3 . . 5.320 3.949 1.969 5.072 . 0 0 "[ . 1 . 2]" 1
316 1 55 GLN QG 1 56 ARG H . . 4.740 3.792 2.896 4.266 . 0 0 "[ . 1 . 2]" 1
317 1 55 GLN QB 1 56 ARG H . . 3.310 2.324 2.149 2.615 . 0 0 "[ . 1 . 2]" 1
318 1 56 ARG H 1 56 ARG HB2 . . 2.980 2.427 2.084 2.672 . 0 0 "[ . 1 . 2]" 1
319 1 56 ARG H 1 56 ARG HG3 . . 4.460 3.473 2.163 4.353 . 0 0 "[ . 1 . 2]" 1
320 1 54 ILE MG 1 56 ARG H . . 5.360 4.643 4.404 4.932 . 0 0 "[ . 1 . 2]" 1
321 1 56 ARG H 1 59 ASP HB2 . . 5.500 4.772 4.413 5.176 . 0 0 "[ . 1 . 2]" 1
322 1 58 MET H 1 59 ASP H . . 3.650 2.719 2.598 2.805 . 0 0 "[ . 1 . 2]" 1
323 1 56 ARG H 1 58 MET H . . 4.540 4.409 4.273 4.536 . 0 0 "[ . 1 . 2]" 1
324 1 57 ARG H 1 58 MET H . . 3.710 2.791 2.410 3.037 . 0 0 "[ . 1 . 2]" 1
325 1 55 GLN HA 1 58 MET H . . 3.980 3.572 3.398 3.748 . 0 0 "[ . 1 . 2]" 1
326 1 58 MET H 1 59 ASP HB2 . . 4.880 4.603 4.289 4.885 0.005 15 0 "[ . 1 . 2]" 1
327 1 57 ARG HB3 1 58 MET H . . 4.270 3.514 3.240 3.777 . 0 0 "[ . 1 . 2]" 1
328 1 58 MET H 1 58 MET HG3 . . 3.640 2.902 2.363 3.339 . 0 0 "[ . 1 . 2]" 1
329 1 58 MET H 1 58 MET HB2 . . 3.320 2.264 2.105 2.441 . 0 0 "[ . 1 . 2]" 1
330 1 57 ARG HB2 1 58 MET H . . 3.520 2.621 2.474 2.870 . 0 0 "[ . 1 . 2]" 1
331 1 58 MET H 1 58 MET HG2 . . 4.070 3.812 3.234 4.139 0.069 7 0 "[ . 1 . 2]" 1
332 1 54 ILE MD 1 58 MET H . . 5.050 4.041 3.608 4.654 . 0 0 "[ . 1 . 2]" 1
333 1 45 PHE QD 1 58 MET H . . 5.300 5.010 4.315 5.358 0.058 15 0 "[ . 1 . 2]" 1
334 1 56 ARG HA 1 58 MET H . . 5.170 4.500 4.213 4.823 . 0 0 "[ . 1 . 2]" 1
335 1 54 ILE HA 1 58 MET H . . 4.740 4.111 3.991 4.379 . 0 0 "[ . 1 . 2]" 1
336 1 47 ALA H 1 49 LYS H . . 5.170 4.116 3.932 4.336 . 0 0 "[ . 1 . 2]" 1
337 1 48 ASP H 1 49 LYS H . . 3.350 2.426 2.183 2.645 . 0 0 "[ . 1 . 2]" 1
338 1 46 ASP HA 1 49 LYS H . . 4.300 4.361 4.289 4.380 0.080 20 0 "[ . 1 . 2]" 1
339 1 47 ALA HA 1 49 LYS H . . 4.880 4.048 3.758 4.458 . 0 0 "[ . 1 . 2]" 1
340 1 48 ASP HB3 1 49 LYS H . . 3.970 3.006 2.661 3.300 . 0 0 "[ . 1 . 2]" 1
341 1 49 LYS H 1 49 LYS HB3 . . 3.650 2.772 2.159 3.350 . 0 0 "[ . 1 . 2]" 1
342 1 49 LYS H 1 49 LYS HB2 . . 3.370 2.253 2.093 2.759 . 0 0 "[ . 1 . 2]" 1
343 1 49 LYS H 1 49 LYS HG3 . . 4.040 4.196 3.443 4.502 0.462 12 0 "[ . 1 . 2]" 1
344 1 49 LYS H 1 54 ILE MD . . 5.500 4.989 4.444 5.569 0.069 17 0 "[ . 1 . 2]" 1
345 1 59 ASP HA 1 62 LEU H . . 3.890 3.509 3.330 3.759 . 0 0 "[ . 1 . 2]" 1
346 1 62 LEU H 1 62 LEU HB2 . . 3.210 2.292 2.196 2.451 . 0 0 "[ . 1 . 2]" 1
347 1 61 ALA MB 1 62 LEU H . . 3.640 2.593 2.490 2.727 . 0 0 "[ . 1 . 2]" 1
348 1 62 LEU H 1 76 VAL MG1 . . 5.090 4.011 3.791 4.208 . 0 0 "[ . 1 . 2]" 1
349 1 62 LEU H 1 62 LEU MD1 . . 3.980 3.477 3.301 3.744 . 0 0 "[ . 1 . 2]" 1
350 1 58 MET HA 1 62 LEU H . . 4.960 3.936 3.775 4.072 . 0 0 "[ . 1 . 2]" 1
351 1 59 ASP HB2 1 62 LEU H . . 5.460 5.532 5.515 5.546 0.086 2 0 "[ . 1 . 2]" 1
352 1 5 ILE HA 1 79 THR H . . 5.500 5.324 4.885 5.572 0.072 19 0 "[ . 1 . 2]" 1
353 1 6 VAL H 1 79 THR H . . 5.500 5.193 4.875 5.534 0.034 1 0 "[ . 1 . 2]" 1
354 1 79 THR H 1 80 VAL H . . 4.240 3.985 3.385 4.305 0.065 16 0 "[ . 1 . 2]" 1
355 1 7 PHE QB 1 79 THR H . . 5.380 4.475 3.958 4.830 . 0 0 "[ . 1 . 2]" 1
356 1 78 LEU HB3 1 79 THR H . . 4.210 3.100 2.768 3.396 . 0 0 "[ . 1 . 2]" 1
357 1 78 LEU HG 1 79 THR H . . 4.720 4.535 3.732 4.789 0.069 11 0 "[ . 1 . 2]" 1
358 1 79 THR H 1 79 THR MG . . 4.180 3.077 2.297 3.982 . 0 0 "[ . 1 . 2]" 1
359 1 68 LEU H 1 69 LEU H . . 4.560 4.255 4.060 4.498 . 0 0 "[ . 1 . 2]" 1
360 1 68 LEU H 1 73 LYS HA . . 4.510 4.577 4.554 4.597 0.087 1 0 "[ . 1 . 2]" 1
361 1 68 LEU H 1 68 LEU HB2 . . 3.260 2.424 2.228 2.551 . 0 0 "[ . 1 . 2]" 1
362 1 68 LEU H 1 68 LEU HG . . 3.690 2.830 2.471 3.757 0.067 3 0 "[ . 1 . 2]" 1
363 1 67 THR MG 1 68 LEU H . . 3.940 3.714 3.508 3.953 0.013 9 0 "[ . 1 . 2]" 1
364 1 68 LEU H 1 68 LEU HB3 . . 3.650 3.613 3.318 3.694 0.044 8 0 "[ . 1 . 2]" 1
365 1 68 LEU H 1 68 LEU MD2 . . 4.760 3.525 3.022 4.332 . 0 0 "[ . 1 . 2]" 1
366 1 57 ARG H 1 59 ASP H . . 5.500 4.152 3.849 4.305 . 0 0 "[ . 1 . 2]" 1
367 1 53 GLY HA3 1 57 ARG H . . 5.170 4.646 4.315 5.150 . 0 0 "[ . 1 . 2]" 1
368 1 54 ILE HA 1 57 ARG H . . 4.310 3.524 3.344 3.879 . 0 0 "[ . 1 . 2]" 1
369 1 57 ARG H 1 57 ARG HD2 . . 4.800 3.977 3.550 4.364 . 0 0 "[ . 1 . 2]" 1
370 1 57 ARG H 1 57 ARG HB3 . . 3.930 3.581 3.496 3.636 . 0 0 "[ . 1 . 2]" 1
371 1 57 ARG H 1 57 ARG QG . . 3.330 2.377 2.144 2.681 . 0 0 "[ . 1 . 2]" 1
372 1 57 ARG H 1 57 ARG HB2 . . 3.560 2.419 2.257 2.656 . 0 0 "[ . 1 . 2]" 1
373 1 54 ILE MG 1 57 ARG H . . 5.500 5.156 4.979 5.300 . 0 0 "[ . 1 . 2]" 1
374 1 57 ARG H 1 60 ILE MD . . 5.500 4.159 3.770 5.055 . 0 0 "[ . 1 . 2]" 1
375 1 50 ASP H 1 51 ARG H . . 4.540 3.506 3.109 3.888 . 0 0 "[ . 1 . 2]" 1
376 1 48 ASP H 1 50 ASP H . . 4.580 4.219 3.830 4.451 . 0 0 "[ . 1 . 2]" 1
377 1 48 ASP HA 1 50 ASP H . . 4.890 4.075 3.630 4.951 0.061 14 0 "[ . 1 . 2]" 1
378 1 50 ASP H 1 50 ASP QB . . 3.490 2.799 2.396 3.032 . 0 0 "[ . 1 . 2]" 1
379 1 49 LYS HB3 1 50 ASP H . . 3.990 2.971 2.398 3.619 . 0 0 "[ . 1 . 2]" 1
380 1 49 LYS HB2 1 50 ASP H . . 4.020 3.858 3.530 4.076 0.056 15 0 "[ . 1 . 2]" 1
381 1 47 ALA MB 1 50 ASP H . . 5.500 4.639 4.134 5.139 . 0 0 "[ . 1 . 2]" 1
382 1 50 ASP H 1 54 ILE MG . . 5.220 4.571 4.248 5.105 . 0 0 "[ . 1 . 2]" 1
383 1 17 ALA H 1 18 VAL H . . 4.180 2.689 2.524 2.800 . 0 0 "[ . 1 . 2]" 1
384 1 18 VAL H 1 21 GLN H . . 5.500 4.734 4.675 4.865 . 0 0 "[ . 1 . 2]" 1
385 1 18 VAL H 1 19 GLU H . . 3.530 2.716 2.593 2.882 . 0 0 "[ . 1 . 2]" 1
386 1 16 THR HA 1 18 VAL H . . 4.010 4.044 3.938 4.082 0.072 7 0 "[ . 1 . 2]" 1
387 1 16 THR HB 1 18 VAL H . . 3.550 2.632 2.446 2.847 . 0 0 "[ . 1 . 2]" 1
388 1 18 VAL H 1 18 VAL HB . . 3.140 2.663 2.441 2.868 . 0 0 "[ . 1 . 2]" 1
389 1 17 ALA MB 1 18 VAL H . . 3.700 2.767 2.534 2.957 . 0 0 "[ . 1 . 2]" 1
390 1 16 THR MG 1 18 VAL H . . 4.770 3.945 2.264 4.415 . 0 0 "[ . 1 . 2]" 1
391 1 16 THR H 1 18 VAL H . . 4.880 4.880 4.699 4.947 0.067 3 0 "[ . 1 . 2]" 1
392 1 36 ALA HA 1 38 LYS H . . 4.070 3.781 3.528 4.124 0.054 12 0 "[ . 1 . 2]" 1
393 1 37 ASP QB 1 38 LYS H . . 4.670 2.844 2.474 3.702 . 0 0 "[ . 1 . 2]" 1
394 1 38 LYS H 1 38 LYS HB3 . . 3.840 3.704 3.533 3.858 0.018 9 0 "[ . 1 . 2]" 1
395 1 35 ARG HB3 1 38 LYS H . . 4.050 3.486 3.172 4.069 0.019 3 0 "[ . 1 . 2]" 1
396 1 38 LYS H 1 38 LYS HB2 . . 3.410 2.621 2.440 2.787 . 0 0 "[ . 1 . 2]" 1
397 1 38 LYS H 1 38 LYS QG . . 3.800 3.517 3.190 3.665 . 0 0 "[ . 1 . 2]" 1
398 1 38 LYS H 1 40 ILE HG12 . . 5.500 3.785 3.296 5.104 . 0 0 "[ . 1 . 2]" 1
399 1 38 LYS H 1 39 GLY HA2 . . 4.740 4.139 3.926 4.405 . 0 0 "[ . 1 . 2]" 1
400 1 26 ASN H 1 27 SER HA . . 5.500 5.299 5.021 5.493 . 0 0 "[ . 1 . 2]" 1
401 1 48 ASP H 1 49 LYS HB3 . . 5.500 4.974 4.073 5.557 0.057 11 0 "[ . 1 . 2]" 1
402 1 48 ASP H 1 49 LYS HB2 . . 4.790 4.426 4.109 4.916 0.126 2 0 "[ . 1 . 2]" 1
403 1 66 GLY H 1 74 ILE HB . . 5.330 5.250 4.797 5.414 0.084 19 0 "[ . 1 . 2]" 1
404 1 47 ALA H 1 48 ASP H . . 3.580 2.564 2.420 2.860 . 0 0 "[ . 1 . 2]" 1
405 1 46 ASP HA 1 48 ASP H . . 4.220 3.582 3.320 3.977 . 0 0 "[ . 1 . 2]" 1
406 1 48 ASP H 1 48 ASP HB3 . . 3.290 2.625 2.406 2.989 . 0 0 "[ . 1 . 2]" 1
407 1 47 ALA MB 1 48 ASP H . . 4.050 2.955 2.673 3.204 . 0 0 "[ . 1 . 2]" 1
408 1 48 ASP H 1 54 ILE MD . . 5.500 4.889 4.572 5.384 . 0 0 "[ . 1 . 2]" 1
409 1 48 ASP H 1 49 LYS HA . . 5.480 5.037 4.872 5.206 . 0 0 "[ . 1 . 2]" 1
410 1 66 GLY H 1 76 VAL H . . 4.490 3.977 3.634 4.517 0.027 19 0 "[ . 1 . 2]" 1
411 1 66 GLY H 1 75 ASN HA . . 4.140 2.671 2.369 3.453 . 0 0 "[ . 1 . 2]" 1
412 1 66 GLY H 1 76 VAL HB . . 4.680 4.691 4.214 4.751 0.071 12 0 "[ . 1 . 2]" 1
413 1 66 GLY H 1 74 ILE HG13 . . 4.850 3.530 2.718 4.097 . 0 0 "[ . 1 . 2]" 1
414 1 66 GLY H 1 74 ILE HG12 . . 4.590 4.557 3.754 4.912 0.322 5 0 "[ . 1 . 2]" 1
415 1 66 GLY H 1 76 VAL MG2 . . 4.330 3.651 3.340 4.311 . 0 0 "[ . 1 . 2]" 1
416 1 66 GLY H 1 74 ILE MD . . 5.500 4.589 2.415 5.343 . 0 0 "[ . 1 . 2]" 1
417 1 55 GLN QE 1 56 ARG HG2 . . 5.260 4.379 2.914 6.114 0.854 15 1 "[ . 1 + 2]" 1
418 1 55 GLN QE 1 56 ARG H . . 3.980 3.786 3.568 3.965 . 0 0 "[ . 1 . 2]" 1
419 1 41 ALA H 1 42 PHE H . . 4.440 4.308 4.038 4.375 . 0 0 "[ . 1 . 2]" 1
420 1 32 ILE MG 1 42 PHE H . . 5.470 4.660 4.085 5.218 . 0 0 "[ . 1 . 2]" 1
421 1 42 PHE H 1 43 LEU H . . 5.090 4.295 3.974 4.601 . 0 0 "[ . 1 . 2]" 1
422 1 42 PHE H 1 42 PHE QE . . 5.500 4.997 4.404 5.434 . 0 0 "[ . 1 . 2]" 1
423 1 42 PHE H 1 42 PHE QD . . 4.090 2.957 2.389 3.449 . 0 0 "[ . 1 . 2]" 1
424 1 32 ILE HA 1 42 PHE H . . 4.970 4.547 4.142 5.001 0.031 17 0 "[ . 1 . 2]" 1
425 1 34 LEU HA 1 42 PHE H . . 4.260 3.901 3.734 4.096 . 0 0 "[ . 1 . 2]" 1
426 1 42 PHE H 1 42 PHE HB2 . . 3.790 2.647 2.421 2.795 . 0 0 "[ . 1 . 2]" 1
427 1 33 ARG HB3 1 42 PHE H . . 4.100 3.352 2.897 4.003 . 0 0 "[ . 1 . 2]" 1
428 1 41 ALA MB 1 42 PHE H . . 3.670 2.611 2.302 3.367 . 0 0 "[ . 1 . 2]" 1
429 1 14 ASP H 1 15 ILE H . . 3.370 2.898 2.672 3.024 . 0 0 "[ . 1 . 2]" 1
430 1 14 ASP H 1 14 ASP HB3 . . 3.860 3.121 2.617 3.625 . 0 0 "[ . 1 . 2]" 1
431 1 14 ASP H 1 14 ASP HB2 . . 3.760 2.312 2.080 2.709 . 0 0 "[ . 1 . 2]" 1
432 1 12 PRO HB2 1 14 ASP H . . 4.160 2.583 2.313 2.848 . 0 0 "[ . 1 . 2]" 1
433 1 14 ASP H 1 15 ILE MG . . 4.860 4.440 4.264 4.649 . 0 0 "[ . 1 . 2]" 1
434 1 13 ARG H 1 14 ASP H . . 4.390 2.601 2.385 2.913 . 0 0 "[ . 1 . 2]" 1
435 1 12 PRO HB3 1 14 ASP H . . 4.450 4.086 3.699 4.390 . 0 0 "[ . 1 . 2]" 1
436 1 20 LEU HA 1 22 ASN H . . 4.490 4.464 4.296 4.558 0.068 1 0 "[ . 1 . 2]" 1
437 1 21 GLN QB 1 22 ASN H . . 3.210 2.575 2.346 2.864 . 0 0 "[ . 1 . 2]" 1
438 1 55 GLN QE 1 59 ASP HA . . 4.860 3.862 3.229 4.321 . 0 0 "[ . 1 . 2]" 1
439 1 80 VAL QG 1 82 GLY H . . 4.950 4.252 2.872 4.892 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLN HA 1 55 GLN QE . . 5.500 3.296 2.539 3.868 . 0 0 "[ . 1 . 2]" 1
441 1 21 GLN QG 1 22 ASN H . . 4.350 4.110 3.365 4.406 0.056 9 0 "[ . 1 . 2]" 1
442 1 55 GLN QE 1 59 ASP HB2 . . 5.240 2.934 2.119 4.177 . 0 0 "[ . 1 . 2]" 1
443 1 10 SER H 1 11 LEU H . . 3.500 2.524 2.322 2.666 . 0 0 "[ . 1 . 2]" 1
444 1 11 LEU H 1 40 ILE H . . 5.260 4.929 4.759 5.173 . 0 0 "[ . 1 . 2]" 1
445 1 11 LEU H 1 40 ILE HA . . 4.570 3.732 3.581 4.116 . 0 0 "[ . 1 . 2]" 1
446 1 9 GLY QA 1 11 LEU H . . 4.090 2.955 2.839 3.076 . 0 0 "[ . 1 . 2]" 1
447 1 10 SER HA 1 11 LEU H . . 3.260 3.069 2.913 3.192 . 0 0 "[ . 1 . 2]" 1
448 1 11 LEU H 1 39 GLY HA3 . . 4.240 3.428 3.031 3.685 . 0 0 "[ . 1 . 2]" 1
449 1 11 LEU H 1 12 PRO HD2 . . 4.840 4.821 4.736 4.899 0.059 3 0 "[ . 1 . 2]" 1
450 1 11 LEU H 1 11 LEU HB3 . . 3.590 3.557 3.499 3.595 0.005 18 0 "[ . 1 . 2]" 1
451 1 11 LEU H 1 11 LEU HG . . 4.130 3.864 3.691 3.939 . 0 0 "[ . 1 . 2]" 1
452 1 11 LEU H 1 11 LEU MD2 . . 4.110 3.683 3.593 3.760 . 0 0 "[ . 1 . 2]" 1
453 1 24 PHE HA 1 27 SER H . . 4.050 3.181 2.963 3.449 . 0 0 "[ . 1 . 2]" 1
454 1 27 SER H 1 28 SER HA . . 5.020 4.559 4.185 5.004 . 0 0 "[ . 1 . 2]" 1
455 1 26 ASN HB2 1 27 SER H . . 5.240 3.565 2.607 4.366 . 0 0 "[ . 1 . 2]" 1
456 1 27 SER H 1 60 ILE MG . . 5.400 3.020 2.550 3.591 . 0 0 "[ . 1 . 2]" 1
457 1 25 LYS HB2 1 27 SER H . . 5.500 5.620 5.385 5.804 0.304 4 0 "[ . 1 . 2]" 1
458 1 37 ASP H 1 38 LYS H . . 3.980 2.898 2.793 3.005 . 0 0 "[ . 1 . 2]" 1
459 1 37 ASP H 1 37 ASP QB . . 3.850 2.403 2.266 2.574 . 0 0 "[ . 1 . 2]" 1
460 1 36 ALA MB 1 37 ASP H . . 4.440 2.847 2.690 3.009 . 0 0 "[ . 1 . 2]" 1
461 1 2 ASN HD22 1 48 ASP H . . 5.130 3.878 1.979 4.688 . 0 0 "[ . 1 . 2]" 1
462 1 2 ASN HD22 1 47 ALA MB . . 5.500 5.147 3.352 5.573 0.073 6 0 "[ . 1 . 2]" 1
463 1 16 THR H 1 19 GLU H . . 4.780 3.667 3.432 3.812 . 0 0 "[ . 1 . 2]" 1
464 1 16 THR H 1 19 GLU HB2 . . 3.730 2.711 2.485 2.886 . 0 0 "[ . 1 . 2]" 1
465 1 16 THR H 1 19 GLU HB3 . . 4.120 4.135 3.831 4.189 0.069 19 0 "[ . 1 . 2]" 1
466 1 15 ILE HG13 1 16 THR H . . 3.730 2.577 2.438 2.736 . 0 0 "[ . 1 . 2]" 1
467 1 16 THR H 1 16 THR MG . . 3.770 3.327 2.847 3.861 0.091 8 0 "[ . 1 . 2]" 1
468 1 15 ILE MD 1 16 THR H . . 3.800 2.472 2.196 2.966 . 0 0 "[ . 1 . 2]" 1
469 1 16 THR H 1 70 LYS QE . . 5.500 2.498 2.003 3.265 . 0 0 "[ . 1 . 2]" 1
470 1 31 GLN H 1 44 GLU H . . 3.660 2.693 2.460 2.910 . 0 0 "[ . 1 . 2]" 1
471 1 30 ASP H 1 31 GLN H . . 3.360 2.154 1.928 2.286 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLN H 1 44 GLU HA . . 5.110 4.761 4.565 5.005 . 0 0 "[ . 1 . 2]" 1
473 1 31 GLN H 1 45 PHE HA . . 5.140 4.437 4.077 5.018 . 0 0 "[ . 1 . 2]" 1
474 1 29 PRO HA 1 31 GLN H . . 4.170 4.205 4.062 4.244 0.074 12 0 "[ . 1 . 2]" 1
475 1 30 ASP HB3 1 31 GLN H . . 3.960 2.550 2.252 2.873 . 0 0 "[ . 1 . 2]" 1
476 1 30 ASP HB2 1 31 GLN H . . 3.760 3.784 3.642 4.008 0.248 4 0 "[ . 1 . 2]" 1
477 1 31 GLN H 1 31 GLN QG . . 4.730 4.204 4.095 4.365 . 0 0 "[ . 1 . 2]" 1
478 1 31 GLN H 1 31 GLN HB2 . . 3.270 2.962 2.625 3.336 0.066 8 0 "[ . 1 . 2]" 1
479 1 29 PRO HB3 1 31 GLN H . . 4.430 4.451 4.147 4.755 0.325 6 0 "[ . 1 . 2]" 1
480 1 31 GLN H 1 32 ILE MD . . 5.340 5.143 3.632 5.420 0.080 2 0 "[ . 1 . 2]" 1
481 1 2 ASN HD21 1 48 ASP H . . 5.000 2.578 2.197 2.994 . 0 0 "[ . 1 . 2]" 1
482 1 2 ASN HD21 1 46 ASP HA . . 3.740 3.540 3.034 3.790 0.050 15 0 "[ . 1 . 2]" 1
483 1 2 ASN HD21 1 47 ALA MB . . 5.500 3.786 1.768 4.214 . 0 0 "[ . 1 . 2]" 1
484 1 24 PHE QE 1 64 GLN H . . 4.750 4.508 4.075 4.822 0.072 8 0 "[ . 1 . 2]" 1
485 1 62 LEU H 1 64 GLN H . . 5.050 4.196 4.070 4.360 . 0 0 "[ . 1 . 2]" 1
486 1 64 GLN H 1 65 HIS HB2 . . 4.830 4.496 4.301 4.696 . 0 0 "[ . 1 . 2]" 1
487 1 64 GLN H 1 64 GLN HB2 . . 3.650 2.659 2.533 2.741 . 0 0 "[ . 1 . 2]" 1
488 1 63 LEU HB2 1 64 GLN H . . 3.630 3.552 3.426 3.690 0.060 18 0 "[ . 1 . 2]" 1
489 1 63 LEU HB3 1 64 GLN H . . 4.300 4.077 3.892 4.241 . 0 0 "[ . 1 . 2]" 1
490 1 2 ASN HD22 1 48 ASP HB3 . . 5.500 3.604 2.224 5.202 . 0 0 "[ . 1 . 2]" 1
491 1 22 ASN HD22 1 23 HIS H . . 5.500 4.773 3.687 5.547 0.047 10 0 "[ . 1 . 2]" 1
492 1 64 GLN H 1 64 GLN HE21 . . 5.500 3.559 3.099 4.684 . 0 0 "[ . 1 . 2]" 1
493 1 64 GLN H 1 64 GLN HG2 . . 3.640 2.461 2.237 3.082 . 0 0 "[ . 1 . 2]" 1
494 1 64 GLN H 1 64 GLN HG3 . . 4.020 3.695 2.197 4.011 . 0 0 "[ . 1 . 2]" 1
495 1 63 LEU QD 1 64 GLN H . . 5.390 4.515 4.448 4.566 . 0 0 "[ . 1 . 2]" 1
496 1 22 ASN HA 1 22 ASN HD22 . . 5.500 4.760 4.562 5.218 . 0 0 "[ . 1 . 2]" 1
497 1 22 ASN HD22 1 23 HIS HE1 . . 5.500 5.359 4.849 5.570 0.070 3 0 "[ . 1 . 2]" 1
498 1 22 ASN HD22 1 23 HIS HA . . 5.500 4.406 3.573 5.234 . 0 0 "[ . 1 . 2]" 1
499 1 19 GLU HA 1 22 ASN HD22 . . 5.090 4.900 3.833 5.163 0.073 19 0 "[ . 1 . 2]" 1
500 1 22 ASN QB 1 22 ASN HD22 . . 3.720 3.295 3.225 3.414 . 0 0 "[ . 1 . 2]" 1
501 1 18 VAL QG 1 22 ASN HD21 . . 5.180 5.045 4.874 5.185 0.005 1 0 "[ . 1 . 2]" 1
502 1 10 SER HB2 1 75 ASN HD21 . . 5.500 5.294 4.571 5.561 0.061 15 0 "[ . 1 . 2]" 1
503 1 27 SER H 1 28 SER H . . 3.690 2.367 2.005 2.770 . 0 0 "[ . 1 . 2]" 1
504 1 24 PHE HA 1 28 SER H . . 4.530 4.530 4.272 4.608 0.078 6 0 "[ . 1 . 2]" 1
505 1 28 SER H 1 29 PRO HD3 . . 3.700 2.986 2.614 3.254 . 0 0 "[ . 1 . 2]" 1
506 1 28 SER H 1 28 SER QB . . 3.880 3.126 2.667 3.427 . 0 0 "[ . 1 . 2]" 1
507 1 28 SER H 1 29 PRO HD2 . . 3.810 3.185 2.909 3.620 . 0 0 "[ . 1 . 2]" 1
508 1 28 SER H 1 60 ILE MG . . 5.500 4.788 4.609 5.104 . 0 0 "[ . 1 . 2]" 1
509 1 10 SER HB2 1 75 ASN HD22 . . 5.120 4.361 3.486 4.831 . 0 0 "[ . 1 . 2]" 1
510 1 75 ASN HD22 1 77 GLU QG . . 5.350 4.305 3.614 5.226 . 0 0 "[ . 1 . 2]" 1
511 1 75 ASN HD21 1 77 GLU QG . . 5.500 3.121 2.500 4.052 . 0 0 "[ . 1 . 2]" 1
512 1 81 GLY H 1 82 GLY H . . 5.430 2.688 1.693 4.331 . 0 0 "[ . 1 . 2]" 1
513 1 80 VAL HA 1 81 GLY H . . 3.450 2.713 2.144 3.527 0.077 20 0 "[ . 1 . 2]" 1
514 1 80 VAL HB 1 81 GLY H . . 4.740 3.987 2.190 4.619 . 0 0 "[ . 1 . 2]" 1
515 1 80 VAL QG 1 81 GLY H . . 4.550 2.726 1.627 3.566 . 0 0 "[ . 1 . 2]" 1
516 1 24 PHE H 1 24 PHE QE . . 5.500 4.684 4.362 5.000 . 0 0 "[ . 1 . 2]" 1
517 1 23 HIS HD2 1 24 PHE H . . 5.500 5.222 4.361 5.558 0.058 20 0 "[ . 1 . 2]" 1
518 1 26 ASN HD22 1 60 ILE MG . . 5.500 4.354 2.868 5.540 0.040 14 0 "[ . 1 . 2]" 1
519 1 22 ASN HA 1 24 PHE H . . 4.970 4.596 4.076 5.028 0.058 1 0 "[ . 1 . 2]" 1
520 1 23 HIS H 1 24 PHE H . . 3.470 2.750 2.637 2.886 . 0 0 "[ . 1 . 2]" 1
521 1 24 PHE H 1 24 PHE QD . . 3.670 2.802 2.475 3.222 . 0 0 "[ . 1 . 2]" 1
522 1 21 GLN HA 1 24 PHE H . . 4.450 3.908 3.622 4.206 . 0 0 "[ . 1 . 2]" 1
523 1 24 PHE H 1 24 PHE HB3 . . 3.710 3.663 3.544 3.762 0.052 2 0 "[ . 1 . 2]" 1
524 1 23 HIS HB3 1 24 PHE H . . 3.620 3.019 2.247 3.472 . 0 0 "[ . 1 . 2]" 1
525 1 24 PHE H 1 24 PHE HB2 . . 3.400 2.480 2.376 2.627 . 0 0 "[ . 1 . 2]" 1
526 1 53 GLY H 1 54 ILE HB . . 5.120 4.547 4.117 5.062 . 0 0 "[ . 1 . 2]" 1
527 1 52 THR MG 1 53 GLY H . . 5.270 4.192 2.624 4.506 . 0 0 "[ . 1 . 2]" 1
528 1 53 GLY H 1 54 ILE MG . . 5.300 3.608 3.136 4.169 . 0 0 "[ . 1 . 2]" 1
529 1 9 GLY H 1 10 SER H . . 4.350 4.399 4.372 4.410 0.060 18 0 "[ . 1 . 2]" 1
530 1 9 GLY H 1 75 ASN H . . 4.020 2.687 2.587 2.858 . 0 0 "[ . 1 . 2]" 1
531 1 7 PHE QD 1 9 GLY H . . 5.430 4.384 3.778 5.033 . 0 0 "[ . 1 . 2]" 1
532 1 9 GLY H 1 75 ASN HA . . 5.230 4.667 4.563 4.789 . 0 0 "[ . 1 . 2]" 1
533 1 9 GLY H 1 76 VAL HA . . 4.290 3.957 3.742 4.209 . 0 0 "[ . 1 . 2]" 1
534 1 8 VAL HB 1 9 GLY H . . 4.730 4.179 3.954 4.540 . 0 0 "[ . 1 . 2]" 1
535 1 31 GLN HB2 1 31 GLN HE22 . . 4.970 4.110 3.348 5.054 0.084 6 0 "[ . 1 . 2]" 1
536 1 38 LYS HB3 1 40 ILE H . . 4.950 4.419 4.101 5.000 0.050 16 0 "[ . 1 . 2]" 1
537 1 64 GLN HE21 1 67 THR MG . . 5.500 4.870 4.022 5.459 . 0 0 "[ . 1 . 2]" 1
538 1 64 GLN HA 1 64 GLN HE21 . . 5.500 4.020 3.136 5.104 . 0 0 "[ . 1 . 2]" 1
539 1 23 HIS HD2 1 64 GLN HE21 . . 5.500 5.150 4.519 5.549 0.049 19 0 "[ . 1 . 2]" 1
540 1 7 PHE QE 1 9 GLY H . . 5.310 4.320 3.544 5.044 . 0 0 "[ . 1 . 2]" 1
541 1 9 GLY H 1 75 ASN HB3 . . 5.090 4.660 4.425 4.966 . 0 0 "[ . 1 . 2]" 1
542 1 35 ARG H 1 40 ILE H . . 4.180 3.541 3.385 3.688 . 0 0 "[ . 1 . 2]" 1
543 1 38 LYS H 1 40 ILE H . . 4.320 3.383 3.209 3.601 . 0 0 "[ . 1 . 2]" 1
544 1 40 ILE H 1 40 ILE HG12 . . 3.730 2.711 2.037 3.790 0.060 6 0 "[ . 1 . 2]" 1
545 1 11 LEU MD2 1 40 ILE H . . 4.810 3.794 3.410 4.184 . 0 0 "[ . 1 . 2]" 1
546 1 10 SER H 1 75 ASN H . . 5.210 4.993 4.867 5.179 . 0 0 "[ . 1 . 2]" 1
547 1 9 GLY QA 1 10 SER H . . 3.270 2.245 2.206 2.296 . 0 0 "[ . 1 . 2]" 1
548 1 10 SER H 1 10 SER HA . . 2.860 2.230 2.192 2.299 . 0 0 "[ . 1 . 2]" 1
549 1 21 GLN HE22 1 32 ILE MD . . 5.500 3.145 2.192 4.826 . 0 0 "[ . 1 . 2]" 1
550 1 37 ASP H 1 39 GLY H . . 4.810 3.895 3.687 4.051 . 0 0 "[ . 1 . 2]" 1
551 1 38 LYS H 1 39 GLY H . . 3.240 1.954 1.729 2.133 . 0 0 "[ . 1 . 2]" 1
552 1 39 GLY H 1 40 ILE H . . 3.510 2.738 2.407 2.932 . 0 0 "[ . 1 . 2]" 1
553 1 37 ASP HA 1 39 GLY H . . 5.360 4.441 4.220 4.787 . 0 0 "[ . 1 . 2]" 1
554 1 38 LYS HB3 1 39 GLY H . . 4.820 4.244 4.067 4.450 . 0 0 "[ . 1 . 2]" 1
555 1 38 LYS HB2 1 39 GLY H . . 4.280 3.851 3.452 4.049 . 0 0 "[ . 1 . 2]" 1
556 1 36 ALA MB 1 39 GLY H . . 5.290 4.097 3.858 4.412 . 0 0 "[ . 1 . 2]" 1
557 1 11 LEU HB2 1 39 GLY H . . 5.350 4.936 4.779 5.323 . 0 0 "[ . 1 . 2]" 1
558 1 11 LEU MD2 1 39 GLY H . . 5.500 5.450 5.122 5.573 0.073 6 0 "[ . 1 . 2]" 1
559 1 66 GLY H 1 67 THR H . . 3.630 2.574 2.376 2.912 . 0 0 "[ . 1 . 2]" 1
560 1 67 THR H 1 68 LEU H . . 4.660 4.637 4.544 4.688 0.028 12 0 "[ . 1 . 2]" 1
561 1 64 GLN HB2 1 67 THR H . . 5.430 5.205 4.973 5.491 0.061 18 0 "[ . 1 . 2]" 1
562 1 64 GLN HB3 1 67 THR H . . 4.920 4.408 4.078 4.844 . 0 0 "[ . 1 . 2]" 1
563 1 67 THR H 1 74 ILE HG13 . . 4.230 3.451 2.574 4.203 . 0 0 "[ . 1 . 2]" 1
564 1 67 THR H 1 67 THR MG . . 3.620 2.450 2.302 2.637 . 0 0 "[ . 1 . 2]" 1
565 1 67 THR H 1 74 ILE MD . . 4.710 4.142 2.824 4.799 0.089 15 0 "[ . 1 . 2]" 1
566 1 68 LEU MD2 1 71 GLU H . . 5.500 5.001 3.121 5.553 0.053 8 0 "[ . 1 . 2]" 1
567 1 69 LEU H 1 71 GLU H . . 5.280 4.290 3.838 4.579 . 0 0 "[ . 1 . 2]" 1
568 1 27 SER HB3 1 60 ILE HB . . 3.920 2.264 2.062 2.552 . 0 0 "[ . 1 . 2]" 1
569 1 27 SER HB3 1 61 ALA H . . 4.560 3.025 2.561 3.392 . 0 0 "[ . 1 . 2]" 1
570 1 27 SER HB3 1 45 PHE QE . . 4.230 3.877 3.683 4.196 . 0 0 "[ . 1 . 2]" 1
571 1 24 PHE HA 1 27 SER HB3 . . 4.880 4.420 4.129 4.720 . 0 0 "[ . 1 . 2]" 1
572 1 27 SER HB3 1 61 ALA MB . . 3.940 3.036 2.637 3.386 . 0 0 "[ . 1 . 2]" 1
573 1 27 SER HB3 1 60 ILE MG . . 4.260 2.294 2.112 2.632 . 0 0 "[ . 1 . 2]" 1
574 1 27 SER HB2 1 61 ALA H . . 4.040 3.783 3.330 4.206 0.166 10 0 "[ . 1 . 2]" 1
575 1 27 SER HB2 1 45 PHE QE . . 4.500 2.224 1.981 2.657 . 0 0 "[ . 1 . 2]" 1
576 1 27 SER HB2 1 57 ARG HB3 . . 4.820 3.405 2.940 3.833 . 0 0 "[ . 1 . 2]" 1
577 1 27 SER HB2 1 60 ILE HB . . 3.770 3.691 3.335 3.971 0.201 9 0 "[ . 1 . 2]" 1
578 1 27 SER HB2 1 61 ALA MB . . 3.970 2.721 2.344 3.098 . 0 0 "[ . 1 . 2]" 1
579 1 27 SER HB2 1 60 ILE MG . . 3.850 3.749 3.579 3.929 0.079 2 0 "[ . 1 . 2]" 1
580 1 18 VAL HA 1 21 GLN H . . 3.550 3.555 3.429 3.620 0.070 11 0 "[ . 1 . 2]" 1
581 1 18 VAL HA 1 22 ASN H . . 4.160 3.963 3.709 4.220 0.060 9 0 "[ . 1 . 2]" 1
582 1 18 VAL HA 1 21 GLN QG . . 3.600 3.485 3.135 3.680 0.080 16 0 "[ . 1 . 2]" 1
583 1 18 VAL HA 1 21 GLN QB . . 2.870 2.691 2.293 2.925 0.055 12 0 "[ . 1 . 2]" 1
584 1 17 ALA MB 1 18 VAL HA . . 5.030 3.903 3.804 4.041 . 0 0 "[ . 1 . 2]" 1
585 1 18 VAL HA 1 18 VAL QG . . 3.210 2.322 2.175 2.512 . 0 0 "[ . 1 . 2]" 1
586 1 60 ILE HA 1 62 LEU H . . 4.440 4.493 4.449 4.513 0.073 1 0 "[ . 1 . 2]" 1
587 1 59 ASP HA 1 60 ILE HA . . 5.080 4.838 4.761 4.875 . 0 0 "[ . 1 . 2]" 1
588 1 59 ASP HB3 1 60 ILE HA . . 4.900 3.964 3.762 4.286 . 0 0 "[ . 1 . 2]" 1
589 1 60 ILE HA 1 60 ILE HG12 . . 3.300 2.711 2.381 2.907 . 0 0 "[ . 1 . 2]" 1
590 1 60 ILE HA 1 60 ILE MG . . 3.240 2.546 2.462 2.628 . 0 0 "[ . 1 . 2]" 1
591 1 52 THR HA 1 52 THR MG . . 3.060 2.303 2.110 3.160 0.100 6 0 "[ . 1 . 2]" 1
592 1 54 ILE HA 1 57 ARG HD3 . . 3.920 3.522 2.186 3.982 0.062 18 0 "[ . 1 . 2]" 1
593 1 51 ARG QB 1 52 THR HA . . 4.040 4.070 3.913 4.128 0.088 12 0 "[ . 1 . 2]" 1
594 1 47 ALA HA 1 54 ILE HA . . 4.280 4.294 4.176 4.340 0.060 5 0 "[ . 1 . 2]" 1
595 1 54 ILE HA 1 57 ARG HD2 . . 3.700 2.572 2.090 3.765 0.065 17 0 "[ . 1 . 2]" 1
596 1 54 ILE HA 1 57 ARG HB3 . . 4.170 4.107 3.858 4.233 0.063 8 0 "[ . 1 . 2]" 1
597 1 54 ILE HA 1 57 ARG QG . . 4.420 3.444 2.672 4.021 . 0 0 "[ . 1 . 2]" 1
598 1 54 ILE HA 1 57 ARG HB2 . . 3.560 2.564 2.356 2.697 . 0 0 "[ . 1 . 2]" 1
599 1 54 ILE HA 1 54 ILE HG13 . . 3.550 3.110 2.819 3.276 . 0 0 "[ . 1 . 2]" 1
600 1 54 ILE HA 1 54 ILE HG12 . . 3.950 3.799 3.702 3.857 . 0 0 "[ . 1 . 2]" 1
601 1 10 SER H 1 10 SER HB3 . . 4.040 4.032 3.803 4.111 0.071 10 0 "[ . 1 . 2]" 1
602 1 10 SER HB3 1 75 ASN H . . 3.940 3.799 3.281 4.007 0.067 10 0 "[ . 1 . 2]" 1
603 1 10 SER HB3 1 74 ILE HB . . 4.070 3.982 3.222 4.139 0.069 9 0 "[ . 1 . 2]" 1
604 1 10 SER HB2 1 75 ASN H . . 3.870 3.213 2.607 3.792 . 0 0 "[ . 1 . 2]" 1
605 1 10 SER HB2 1 74 ILE HB . . 4.420 4.241 3.471 4.493 0.073 4 0 "[ . 1 . 2]" 1
606 1 10 SER HB2 1 74 ILE MG . . 4.680 4.020 3.625 4.432 . 0 0 "[ . 1 . 2]" 1
607 1 29 PRO HA 1 43 LEU MD2 . . 5.500 4.381 4.232 4.645 . 0 0 "[ . 1 . 2]" 1
608 1 29 PRO HA 1 30 ASP H . . 3.010 2.374 2.248 2.530 . 0 0 "[ . 1 . 2]" 1
609 1 29 PRO HA 1 45 PHE QE . . 3.540 3.109 2.707 3.602 0.062 11 0 "[ . 1 . 2]" 1
610 1 29 PRO HA 1 45 PHE HA . . 4.460 3.614 3.088 4.066 . 0 0 "[ . 1 . 2]" 1
611 1 29 PRO HA 1 30 ASP HA . . 4.730 4.417 4.381 4.474 . 0 0 "[ . 1 . 2]" 1
612 1 29 PRO HA 1 30 ASP HB2 . . 5.040 4.444 4.150 4.648 . 0 0 "[ . 1 . 2]" 1
613 1 29 PRO HA 1 43 LEU HB3 . . 4.700 4.259 4.002 4.560 . 0 0 "[ . 1 . 2]" 1
614 1 10 SER HB3 1 74 ILE HA . . 3.260 2.149 1.869 2.602 . 0 0 "[ . 1 . 2]" 1
615 1 10 SER H 1 10 SER HB2 . . 3.800 3.285 3.203 3.394 . 0 0 "[ . 1 . 2]" 1
616 1 10 SER HB2 1 74 ILE HA . . 3.280 2.777 2.214 3.217 . 0 0 "[ . 1 . 2]" 1
617 1 28 SER QB 1 45 PHE QE . . 5.090 4.642 4.095 4.929 . 0 0 "[ . 1 . 2]" 1
618 1 29 PRO HA 1 30 ASP HB3 . . 5.210 4.765 4.441 5.106 . 0 0 "[ . 1 . 2]" 1
619 1 12 PRO HA 1 72 LYS QE . . 4.080 2.749 2.189 3.952 . 0 0 "[ . 1 . 2]" 1
620 1 12 PRO HA 1 72 LYS HG3 . . 3.870 2.404 2.023 3.248 . 0 0 "[ . 1 . 2]" 1
621 1 79 THR HA 1 80 VAL HA . . 4.470 4.353 4.249 4.447 . 0 0 "[ . 1 . 2]" 1
622 1 80 VAL HA 1 80 VAL QG . . 3.140 2.232 2.049 2.532 . 0 0 "[ . 1 . 2]" 1
623 1 76 VAL HA 1 77 GLU H . . 2.900 2.275 2.202 2.380 . 0 0 "[ . 1 . 2]" 1
624 1 8 VAL HA 1 76 VAL HA . . 3.370 2.446 2.342 2.602 . 0 0 "[ . 1 . 2]" 1
625 1 76 VAL HA 1 76 VAL MG1 . . 3.370 2.408 2.213 2.700 . 0 0 "[ . 1 . 2]" 1
626 1 32 ILE HA 1 43 LEU HG . . 3.400 2.654 2.175 2.953 . 0 0 "[ . 1 . 2]" 1
627 1 6 VAL HA 1 7 PHE H . . 2.920 2.171 2.112 2.295 . 0 0 "[ . 1 . 2]" 1
628 1 32 ILE HA 1 32 ILE HG12 . . 3.760 2.799 2.447 3.664 . 0 0 "[ . 1 . 2]" 1
629 1 74 ILE HA 1 75 ASN H . . 2.900 2.460 2.318 2.549 . 0 0 "[ . 1 . 2]" 1
630 1 74 ILE HA 1 74 ILE HB . . 2.980 2.360 2.257 2.477 . 0 0 "[ . 1 . 2]" 1
631 1 67 THR HA 1 68 LEU H . . 2.800 2.289 2.164 2.484 . 0 0 "[ . 1 . 2]" 1
632 1 67 THR HA 1 67 THR MG . . 3.030 2.329 2.238 2.449 . 0 0 "[ . 1 . 2]" 1
633 1 32 ILE HA 1 33 ARG H . . 3.000 2.223 2.110 2.303 . 0 0 "[ . 1 . 2]" 1
634 1 74 ILE HA 1 74 ILE MG . . 3.380 2.312 2.230 2.395 . 0 0 "[ . 1 . 2]" 1
635 1 27 SER HA 1 57 ARG HA . . 3.610 2.640 2.404 2.998 . 0 0 "[ . 1 . 2]" 1
636 1 27 SER HB3 1 57 ARG HA . . 4.470 3.449 2.817 4.277 . 0 0 "[ . 1 . 2]" 1
637 1 27 SER HB2 1 57 ARG HA . . 3.970 3.546 3.038 4.029 0.059 12 0 "[ . 1 . 2]" 1
638 1 57 ARG HA 1 57 ARG QG . . 2.930 2.411 2.273 2.535 . 0 0 "[ . 1 . 2]" 1
639 1 57 ARG HA 1 60 ILE MD . . 3.660 2.647 2.169 3.517 . 0 0 "[ . 1 . 2]" 1
640 1 65 HIS HA 1 66 GLY H . . 3.100 2.124 2.042 2.187 . 0 0 "[ . 1 . 2]" 1
641 1 65 HIS HA 1 75 ASN HA . . 3.900 2.960 2.737 3.339 . 0 0 "[ . 1 . 2]" 1
642 1 65 HIS HA 1 76 VAL HB . . 3.400 2.636 2.231 2.851 . 0 0 "[ . 1 . 2]" 1
643 1 65 HIS HA 1 76 VAL MG2 . . 3.480 2.439 2.163 3.253 . 0 0 "[ . 1 . 2]" 1
644 1 25 LYS HA 1 25 LYS HB3 . . 2.860 2.817 2.539 3.042 0.182 17 0 "[ . 1 . 2]" 1
645 1 25 LYS HA 1 25 LYS HG2 . . 3.890 3.035 2.237 3.902 0.012 10 0 "[ . 1 . 2]" 1
646 1 57 ARG HA 1 60 ILE H . . 3.890 3.738 3.375 3.944 0.054 2 0 "[ . 1 . 2]" 1
647 1 45 PHE QE 1 57 ARG HA . . 4.930 4.251 3.782 4.990 0.060 12 0 "[ . 1 . 2]" 1
648 1 5 ILE HA 1 45 PHE QD . . 4.680 3.205 2.825 3.681 . 0 0 "[ . 1 . 2]" 1
649 1 65 HIS HA 1 76 VAL H . . 3.770 2.793 2.639 3.044 . 0 0 "[ . 1 . 2]" 1
650 1 5 ILE HA 1 6 VAL H . . 2.910 2.218 2.106 2.298 . 0 0 "[ . 1 . 2]" 1
651 1 5 ILE HA 1 5 ILE MD . . 4.120 3.890 3.674 4.023 . 0 0 "[ . 1 . 2]" 1
652 1 8 VAL HA 1 9 GLY H . . 2.930 2.338 2.273 2.393 . 0 0 "[ . 1 . 2]" 1
653 1 27 SER HA 1 57 ARG HB3 . . 3.930 3.799 3.315 3.998 0.068 17 0 "[ . 1 . 2]" 1
654 1 27 SER HA 1 60 ILE HB . . 3.170 2.961 2.316 3.228 0.058 19 0 "[ . 1 . 2]" 1
655 1 27 SER HA 1 60 ILE MD . . 3.700 2.914 2.255 3.599 . 0 0 "[ . 1 . 2]" 1
656 1 21 GLN HA 1 32 ILE MD . . 3.410 2.708 2.298 3.316 . 0 0 "[ . 1 . 2]" 1
657 1 27 SER HA 1 45 PHE QE . . 4.460 4.021 3.790 4.240 . 0 0 "[ . 1 . 2]" 1
658 1 21 GLN HA 1 25 LYS H . . 4.820 4.516 4.270 4.865 0.045 14 0 "[ . 1 . 2]" 1
659 1 45 PHE QE 1 58 MET HA . . 4.440 4.380 3.581 4.530 0.090 6 0 "[ . 1 . 2]" 1
660 1 45 PHE HZ 1 58 MET HA . . 4.910 4.757 3.557 4.974 0.064 9 0 "[ . 1 . 2]" 1
661 1 58 MET HA 1 59 ASP HA . . 5.060 4.928 4.834 5.020 . 0 0 "[ . 1 . 2]" 1
662 1 58 MET HA 1 61 ALA H . . 3.810 3.313 2.941 3.549 . 0 0 "[ . 1 . 2]" 1
663 1 58 MET HA 1 58 MET HG3 . . 3.690 2.890 2.649 3.205 . 0 0 "[ . 1 . 2]" 1
664 1 58 MET HA 1 58 MET HG2 . . 3.630 2.276 2.149 2.432 . 0 0 "[ . 1 . 2]" 1
665 1 19 GLU HA 1 19 GLU QG . . 2.990 2.721 2.356 3.083 0.093 17 0 "[ . 1 . 2]" 1
666 1 18 VAL QG 1 19 GLU HA . . 4.280 3.381 3.185 3.773 . 0 0 "[ . 1 . 2]" 1
667 1 19 GLU HA 1 22 ASN H . . 3.710 3.517 3.254 3.774 0.064 17 0 "[ . 1 . 2]" 1
668 1 56 ARG HA 1 59 ASP HB2 . . 2.980 2.374 2.194 2.721 . 0 0 "[ . 1 . 2]" 1
669 1 54 ILE MG 1 55 GLN HA . . 4.170 3.498 3.245 3.739 . 0 0 "[ . 1 . 2]" 1
670 1 51 ARG HA 1 51 ARG QD . . 3.820 3.144 2.285 3.899 0.079 19 0 "[ . 1 . 2]" 1
671 1 51 ARG HA 1 51 ARG QB . . 2.800 2.482 2.348 2.592 . 0 0 "[ . 1 . 2]" 1
672 1 56 ARG HA 1 56 ARG HD3 . . 3.830 3.257 2.115 3.899 0.069 10 0 "[ . 1 . 2]" 1
673 1 51 ARG HA 1 52 THR MG . . 5.500 4.966 4.261 5.603 0.103 15 0 "[ . 1 . 2]" 1
674 1 51 ARG HA 1 54 ILE HB . . 4.520 4.434 4.089 4.599 0.079 20 0 "[ . 1 . 2]" 1
675 1 51 ARG HA 1 51 ARG QG . . 3.250 2.414 2.200 2.732 . 0 0 "[ . 1 . 2]" 1
676 1 47 ALA MB 1 51 ARG HA . . 4.430 4.089 3.625 4.495 0.065 14 0 "[ . 1 . 2]" 1
677 1 51 ARG HA 1 54 ILE MG . . 3.600 3.159 2.763 3.660 0.060 17 0 "[ . 1 . 2]" 1
678 1 56 ARG HA 1 59 ASP H . . 4.000 3.297 2.970 3.516 . 0 0 "[ . 1 . 2]" 1
679 1 9 GLY QA 1 10 SER HA . . 4.680 4.078 4.022 4.125 . 0 0 "[ . 1 . 2]" 1
680 1 10 SER HA 1 10 SER HB2 . . 2.910 2.849 2.634 2.979 0.069 3 0 "[ . 1 . 2]" 1
681 1 39 GLY HA2 1 40 ILE HA . . 4.560 4.480 4.386 4.565 0.005 17 0 "[ . 1 . 2]" 1
682 1 40 ILE HA 1 41 ALA H . . 2.820 2.416 2.314 2.513 . 0 0 "[ . 1 . 2]" 1
683 1 10 SER H 1 40 ILE HA . . 4.120 3.930 3.696 4.157 0.037 3 0 "[ . 1 . 2]" 1
684 1 9 GLY QA 1 40 ILE HA . . 3.410 1.985 1.868 2.072 . 0 0 "[ . 1 . 2]" 1
685 1 40 ILE HA 1 40 ILE HG13 . . 3.910 3.663 3.522 3.727 . 0 0 "[ . 1 . 2]" 1
686 1 40 ILE HA 1 40 ILE MG . . 3.270 2.349 2.257 2.444 . 0 0 "[ . 1 . 2]" 1
687 1 11 LEU MD2 1 40 ILE HA . . 3.940 2.998 2.722 3.280 . 0 0 "[ . 1 . 2]" 1
688 1 15 ILE HA 1 16 THR H . . 2.760 2.322 2.174 2.394 . 0 0 "[ . 1 . 2]" 1
689 1 15 ILE HA 1 15 ILE HB . . 2.900 2.446 2.397 2.508 . 0 0 "[ . 1 . 2]" 1
690 1 15 ILE HA 1 15 ILE HG12 . . 3.700 3.745 3.689 3.770 0.070 4 0 "[ . 1 . 2]" 1
691 1 15 ILE HA 1 15 ILE MD . . 2.900 2.175 2.078 2.302 . 0 0 "[ . 1 . 2]" 1
692 1 20 LEU HA 1 23 HIS H . . 3.910 3.495 3.240 3.795 . 0 0 "[ . 1 . 2]" 1
693 1 20 LEU HA 1 23 HIS HB2 . . 3.200 3.116 2.882 3.263 0.063 12 0 "[ . 1 . 2]" 1
694 1 20 LEU HA 1 20 LEU HG . . 3.080 2.948 2.500 3.142 0.062 19 0 "[ . 1 . 2]" 1
695 1 20 LEU HA 1 20 LEU QD . . 3.320 2.082 2.032 2.150 . 0 0 "[ . 1 . 2]" 1
696 1 71 GLU HA 1 71 GLU HB2 . . 2.880 3.024 2.856 3.045 0.165 2 0 "[ . 1 . 2]" 1
697 1 68 LEU HB3 1 71 GLU HA . . 3.950 3.301 2.804 4.006 0.056 1 0 "[ . 1 . 2]" 1
698 1 20 LEU HA 1 24 PHE QD . . 4.190 3.232 2.854 3.656 . 0 0 "[ . 1 . 2]" 1
699 1 62 LEU HA 1 64 GLN H . . 4.450 3.546 3.447 3.632 . 0 0 "[ . 1 . 2]" 1
700 1 62 LEU HA 1 62 LEU MD2 . . 3.070 2.159 2.096 2.288 . 0 0 "[ . 1 . 2]" 1
701 1 71 GLU H 1 71 GLU HA . . 2.810 2.236 2.163 2.283 . 0 0 "[ . 1 . 2]" 1
702 1 68 LEU MD2 1 71 GLU HA . . 4.520 3.921 2.178 4.595 0.075 5 0 "[ . 1 . 2]" 1
703 1 30 ASP HA 1 45 PHE HA . . 4.620 4.558 4.111 4.684 0.064 6 0 "[ . 1 . 2]" 1
704 1 62 LEU HA 1 77 GLU HA . . 5.470 5.248 4.525 5.539 0.069 7 0 "[ . 1 . 2]" 1
705 1 13 ARG HA 1 14 ASP H . . 3.550 3.540 3.497 3.589 0.039 8 0 "[ . 1 . 2]" 1
706 1 13 ARG HA 1 15 ILE H . . 4.150 3.734 3.546 3.970 . 0 0 "[ . 1 . 2]" 1
707 1 13 ARG HA 1 13 ARG QD . . 3.260 2.690 2.112 3.345 0.085 2 0 "[ . 1 . 2]" 1
708 1 13 ARG HA 1 13 ARG HB2 . . 2.840 2.907 2.409 3.062 0.222 7 0 "[ . 1 . 2]" 1
709 1 70 LYS H 1 70 LYS HA . . 2.820 2.274 2.223 2.315 . 0 0 "[ . 1 . 2]" 1
710 1 70 LYS HA 1 70 LYS QG . . 3.300 2.399 2.197 2.546 . 0 0 "[ . 1 . 2]" 1
711 1 70 LYS HA 1 70 LYS QE . . 4.670 4.657 4.018 4.754 0.084 2 0 "[ . 1 . 2]" 1
712 1 44 GLU HA 1 45 PHE HA . . 4.710 4.565 4.521 4.619 . 0 0 "[ . 1 . 2]" 1
713 1 45 PHE HA 1 46 ASP H . . 3.060 2.229 2.161 2.347 . 0 0 "[ . 1 . 2]" 1
714 1 4 PHE HA 1 5 ILE H . . 2.760 2.421 2.296 2.527 . 0 0 "[ . 1 . 2]" 1
715 1 4 PHE HA 1 80 VAL QG . . 3.770 3.195 2.057 3.806 0.036 6 0 "[ . 1 . 2]" 1
716 1 4 PHE HA 1 5 ILE MD . . 3.960 3.864 2.819 4.053 0.093 5 0 "[ . 1 . 2]" 1
717 1 49 LYS HA 1 49 LYS HB3 . . 3.010 3.017 2.867 3.053 0.043 6 0 "[ . 1 . 2]" 1
718 1 49 LYS HA 1 49 LYS HG2 . . 3.830 2.891 2.368 3.850 0.020 8 0 "[ . 1 . 2]" 1
719 1 4 PHE HA 1 4 PHE QD . . 3.680 3.101 2.562 3.310 . 0 0 "[ . 1 . 2]" 1
720 1 44 GLU QB 1 45 PHE HA . . 4.060 4.033 3.911 4.121 0.061 9 0 "[ . 1 . 2]" 1
721 1 63 LEU HA 1 65 HIS HB2 . . 4.930 4.977 4.869 5.006 0.076 15 0 "[ . 1 . 2]" 1
722 1 63 LEU HA 1 63 LEU HG . . 2.980 2.703 2.542 3.042 0.062 17 0 "[ . 1 . 2]" 1
723 1 63 LEU HA 1 63 LEU HB3 . . 2.970 2.672 2.601 2.779 . 0 0 "[ . 1 . 2]" 1
724 1 63 LEU HA 1 63 LEU MD2 . . 2.910 2.138 2.055 2.210 . 0 0 "[ . 1 . 2]" 1
725 1 48 ASP HA 1 48 ASP HB2 . . 2.930 2.523 2.389 2.773 . 0 0 "[ . 1 . 2]" 1
726 1 22 ASN HA 1 22 ASN QB . . 2.720 2.329 2.174 2.407 . 0 0 "[ . 1 . 2]" 1
727 1 22 ASN HA 1 25 LYS QD . . 4.370 2.795 2.124 4.439 0.069 20 0 "[ . 1 . 2]" 1
728 1 36 ALA HA 1 39 GLY H . . 3.710 2.823 2.530 3.143 . 0 0 "[ . 1 . 2]" 1
729 1 42 PHE HA 1 43 LEU H . . 2.820 2.201 2.120 2.288 . 0 0 "[ . 1 . 2]" 1
730 1 42 PHE HA 1 42 PHE QD . . 3.730 2.940 2.622 3.263 . 0 0 "[ . 1 . 2]" 1
731 1 42 PHE HA 1 43 LEU HB2 . . 4.510 4.545 4.470 4.569 0.059 20 0 "[ . 1 . 2]" 1
732 1 5 ILE MG 1 42 PHE HA . . 3.960 3.193 2.742 3.565 . 0 0 "[ . 1 . 2]" 1
733 1 8 VAL H 1 42 PHE HA . . 4.090 3.994 3.466 4.162 0.072 4 0 "[ . 1 . 2]" 1
734 1 68 LEU MD2 1 73 LYS HA . . 3.770 2.145 1.985 3.020 . 0 0 "[ . 1 . 2]" 1
735 1 73 LYS HA 1 74 ILE H . . 2.750 2.186 2.088 2.299 . 0 0 "[ . 1 . 2]" 1
736 1 24 PHE QD 1 61 ALA HA . . 3.280 2.702 2.311 3.266 . 0 0 "[ . 1 . 2]" 1
737 1 24 PHE QE 1 61 ALA HA . . 3.660 2.701 2.270 3.027 . 0 0 "[ . 1 . 2]" 1
738 1 61 ALA HA 1 64 GLN HG2 . . 4.100 2.675 2.306 4.110 0.010 10 0 "[ . 1 . 2]" 1
739 1 60 ILE MG 1 61 ALA HA . . 4.370 3.592 3.335 3.920 . 0 0 "[ . 1 . 2]" 1
740 1 17 ALA HA 1 21 GLN H . . 4.700 3.831 3.669 3.966 . 0 0 "[ . 1 . 2]" 1
741 1 17 ALA HA 1 18 VAL H . . 3.560 3.541 3.491 3.578 0.018 6 0 "[ . 1 . 2]" 1
742 1 16 THR HA 1 17 ALA HA . . 4.340 4.321 4.227 4.391 0.051 8 0 "[ . 1 . 2]" 1
743 1 17 ALA HA 1 20 LEU HB2 . . 3.290 2.391 2.171 2.479 . 0 0 "[ . 1 . 2]" 1
744 1 17 ALA HA 1 20 LEU QD . . 3.480 2.671 2.375 2.906 . 0 0 "[ . 1 . 2]" 1
745 1 36 ALA HA 1 40 ILE H . . 4.100 3.786 3.409 4.125 0.025 12 0 "[ . 1 . 2]" 1
746 1 34 LEU MD1 1 36 ALA HA . . 3.670 3.122 2.780 3.683 0.013 15 0 "[ . 1 . 2]" 1
747 1 7 PHE H 1 78 LEU HA . . 3.810 3.448 3.143 3.731 . 0 0 "[ . 1 . 2]" 1
748 1 78 LEU HA 1 79 THR H . . 2.910 2.276 2.154 2.382 . 0 0 "[ . 1 . 2]" 1
749 1 78 LEU HA 1 78 LEU QD . . 3.080 2.046 1.958 2.900 . 0 0 "[ . 1 . 2]" 1
750 1 37 ASP HA 1 37 ASP QB . . 2.610 2.408 2.137 2.468 . 0 0 "[ . 1 . 2]" 1
751 1 36 ALA MB 1 37 ASP HA . . 4.580 3.977 3.882 4.104 . 0 0 "[ . 1 . 2]" 1
752 1 26 ASN HA 1 26 ASN HB3 . . 3.010 2.812 2.406 3.058 0.048 7 0 "[ . 1 . 2]" 1
753 1 31 GLN HA 1 32 ILE H . . 2.830 2.361 2.234 2.446 . 0 0 "[ . 1 . 2]" 1
754 1 30 ASP H 1 31 GLN HA . . 4.730 4.792 4.676 4.809 0.079 6 0 "[ . 1 . 2]" 1
755 1 31 GLN HA 1 31 GLN HG2 . . 3.510 3.340 2.422 3.862 0.352 11 0 "[ . 1 . 2]" 1
756 1 3 ARG HA 1 4 PHE H . . 2.870 2.180 1.965 2.425 . 0 0 "[ . 1 . 2]" 1
757 1 3 ARG HA 1 47 ALA H . . 3.580 2.540 1.966 3.447 . 0 0 "[ . 1 . 2]" 1
758 1 3 ARG HA 1 4 PHE QD . . 3.890 3.313 2.771 3.952 0.062 12 0 "[ . 1 . 2]" 1
759 1 31 GLN HA 1 31 GLN HB2 . . 2.910 2.614 2.445 2.895 . 0 0 "[ . 1 . 2]" 1
760 1 31 GLN HA 1 32 ILE MD . . 4.890 4.417 2.571 4.964 0.074 15 0 "[ . 1 . 2]" 1
761 1 44 GLU HA 1 45 PHE H . . 2.940 2.344 2.259 2.419 . 0 0 "[ . 1 . 2]" 1
762 1 44 GLU HA 1 45 PHE QD . . 4.050 3.141 2.827 3.492 . 0 0 "[ . 1 . 2]" 1
763 1 5 ILE MG 1 44 GLU HA . . 5.060 3.166 2.570 3.684 . 0 0 "[ . 1 . 2]" 1
764 1 5 ILE MD 1 44 GLU HA . . 4.400 4.360 3.847 4.495 0.095 4 0 "[ . 1 . 2]" 1
765 1 3 ARG HA 1 46 ASP HA . . 3.400 2.747 2.287 3.415 0.015 7 0 "[ . 1 . 2]" 1
766 1 3 ARG HA 1 3 ARG QG . . 3.960 2.927 2.147 3.524 . 0 0 "[ . 1 . 2]" 1
767 1 38 LYS HA 1 38 LYS QG . . 3.240 2.444 2.130 2.876 . 0 0 "[ . 1 . 2]" 1
768 1 33 ARG HA 1 34 LEU H . . 2.660 2.190 2.092 2.273 . 0 0 "[ . 1 . 2]" 1
769 1 38 LYS HA 1 38 LYS HB2 . . 2.940 2.995 2.979 3.008 0.068 18 0 "[ . 1 . 2]" 1
770 1 34 LEU HA 1 35 ARG H . . 2.950 2.219 2.171 2.274 . 0 0 "[ . 1 . 2]" 1
771 1 34 LEU HA 1 41 ALA HA . . 3.650 2.525 2.339 2.688 . 0 0 "[ . 1 . 2]" 1
772 1 34 LEU HA 1 41 ALA MB . . 3.540 2.501 2.113 2.766 . 0 0 "[ . 1 . 2]" 1
773 1 34 LEU HA 1 34 LEU MD1 . . 3.410 3.476 3.444 3.494 0.084 15 0 "[ . 1 . 2]" 1
774 1 47 ALA HA 1 50 ASP H . . 4.000 3.563 3.046 3.980 . 0 0 "[ . 1 . 2]" 1
775 1 47 ALA HA 1 54 ILE HB . . 3.970 2.197 2.044 2.310 . 0 0 "[ . 1 . 2]" 1
776 1 47 ALA HA 1 54 ILE MD . . 3.210 2.369 2.105 2.817 . 0 0 "[ . 1 . 2]" 1
777 1 68 LEU HA 1 73 LYS HA . . 3.260 2.350 2.167 2.559 . 0 0 "[ . 1 . 2]" 1
778 1 64 GLN HA 1 67 THR MG . . 3.150 2.082 1.988 2.259 . 0 0 "[ . 1 . 2]" 1
779 1 72 LYS HA 1 73 LYS H . . 2.710 2.173 2.097 2.357 . 0 0 "[ . 1 . 2]" 1
780 1 72 LYS HA 1 72 LYS QD . . 3.210 2.312 2.028 2.841 . 0 0 "[ . 1 . 2]" 1
781 1 69 LEU HA 1 70 LYS H . . 2.760 2.180 2.065 2.316 . 0 0 "[ . 1 . 2]" 1
782 1 69 LEU HA 1 71 GLU H . . 4.210 4.046 3.853 4.265 0.055 2 0 "[ . 1 . 2]" 1
783 1 69 LEU HA 1 72 LYS H . . 4.840 4.460 4.256 4.770 . 0 0 "[ . 1 . 2]" 1
784 1 47 ALA HA 1 54 ILE HG12 . . 3.890 2.477 2.225 3.061 . 0 0 "[ . 1 . 2]" 1
785 1 68 LEU HA 1 69 LEU H . . 2.670 2.113 1.897 2.215 . 0 0 "[ . 1 . 2]" 1
786 1 43 LEU HA 1 43 LEU HG . . 2.400 2.340 2.130 2.466 0.066 17 0 "[ . 1 . 2]" 1
787 1 11 LEU HA 1 12 PRO HD3 . . 3.140 2.308 2.175 2.439 . 0 0 "[ . 1 . 2]" 1
788 1 11 LEU HA 1 12 PRO HD2 . . 3.270 2.354 2.261 2.487 . 0 0 "[ . 1 . 2]" 1
789 1 11 LEU HA 1 11 LEU HG . . 3.130 2.529 2.461 2.588 . 0 0 "[ . 1 . 2]" 1
790 1 11 LEU HA 1 11 LEU MD2 . . 4.370 3.804 3.769 3.847 . 0 0 "[ . 1 . 2]" 1
791 1 11 LEU HA 1 12 PRO HG3 . . 4.540 4.466 4.335 4.560 0.020 5 0 "[ . 1 . 2]" 1
792 1 14 ASP HA 1 15 ILE MG . . 4.650 4.282 3.993 4.612 . 0 0 "[ . 1 . 2]" 1
793 1 14 ASP HA 1 15 ILE H . . 3.350 3.129 2.858 3.353 0.003 3 0 "[ . 1 . 2]" 1
794 1 14 ASP HA 1 14 ASP HB3 . . 2.800 2.811 2.429 2.914 0.114 7 0 "[ . 1 . 2]" 1
795 1 14 ASP HA 1 14 ASP HB2 . . 2.830 2.757 2.495 2.917 0.087 17 0 "[ . 1 . 2]" 1
796 1 75 ASN HA 1 76 VAL HA . . 4.940 4.493 4.438 4.527 . 0 0 "[ . 1 . 2]" 1
797 1 65 HIS HB2 1 75 ASN HA . . 4.560 4.630 4.613 4.639 0.079 20 0 "[ . 1 . 2]" 1
798 1 75 ASN HA 1 76 VAL HB . . 4.750 4.412 4.071 4.624 . 0 0 "[ . 1 . 2]" 1
799 1 75 ASN HA 1 76 VAL MG2 . . 4.280 3.559 3.355 4.068 . 0 0 "[ . 1 . 2]" 1
800 1 75 ASN HA 1 76 VAL H . . 2.850 2.316 2.258 2.366 . 0 0 "[ . 1 . 2]" 1
801 1 41 ALA HA 1 42 PHE H . . 3.010 2.338 2.141 2.465 . 0 0 "[ . 1 . 2]" 1
802 1 29 PRO HD3 1 45 PHE QE . . 4.830 3.686 3.044 4.679 . 0 0 "[ . 1 . 2]" 1
803 1 29 PRO HD3 1 45 PHE HZ . . 4.910 3.821 3.163 4.959 0.049 11 0 "[ . 1 . 2]" 1
804 1 24 PHE HA 1 29 PRO HD3 . . 4.130 4.170 4.035 4.198 0.068 10 0 "[ . 1 . 2]" 1
805 1 28 SER HA 1 29 PRO HD3 . . 3.530 3.075 2.814 3.355 . 0 0 "[ . 1 . 2]" 1
806 1 24 PHE HB2 1 29 PRO HD3 . . 4.390 3.273 2.994 3.628 . 0 0 "[ . 1 . 2]" 1
807 1 28 SER HA 1 29 PRO HD2 . . 3.170 2.155 2.040 2.241 . 0 0 "[ . 1 . 2]" 1
808 1 29 PRO HD2 1 32 ILE MD . . 4.990 3.848 3.413 4.327 . 0 0 "[ . 1 . 2]" 1
809 1 11 LEU HB3 1 12 PRO HD3 . . 4.150 3.768 3.552 3.880 . 0 0 "[ . 1 . 2]" 1
810 1 11 LEU MD1 1 12 PRO HD3 . . 4.540 4.382 4.178 4.511 . 0 0 "[ . 1 . 2]" 1
811 1 11 LEU HB3 1 12 PRO HD2 . . 3.730 2.402 2.162 2.575 . 0 0 "[ . 1 . 2]" 1
812 1 12 PRO HD2 1 15 ILE MD . . 4.240 2.212 2.075 2.327 . 0 0 "[ . 1 . 2]" 1
813 1 11 LEU HB2 1 39 GLY HA2 . . 3.690 2.774 2.577 3.143 . 0 0 "[ . 1 . 2]" 1
814 1 11 LEU MD2 1 39 GLY HA2 . . 4.830 3.987 3.771 4.116 . 0 0 "[ . 1 . 2]" 1
815 1 39 GLY HA3 1 40 ILE HA . . 5.130 4.665 4.619 4.721 . 0 0 "[ . 1 . 2]" 1
816 1 11 LEU HB2 1 39 GLY HA3 . . 3.790 3.378 3.133 3.729 . 0 0 "[ . 1 . 2]" 1
817 1 11 LEU MD2 1 39 GLY HA3 . . 4.930 4.864 4.631 5.001 0.071 15 0 "[ . 1 . 2]" 1
818 1 53 GLY HA3 1 57 ARG QG . . 4.350 3.911 3.426 4.382 0.032 20 0 "[ . 1 . 2]" 1
819 1 53 GLY HA2 1 57 ARG QG . . 4.580 4.294 3.728 4.637 0.057 20 0 "[ . 1 . 2]" 1
820 1 66 GLY HA3 1 73 LYS QE . . 3.940 3.400 2.171 4.027 0.087 6 0 "[ . 1 . 2]" 1
821 1 65 HIS HA 1 66 GLY HA2 . . 4.500 4.366 4.318 4.411 . 0 0 "[ . 1 . 2]" 1
822 1 66 GLY HA2 1 73 LYS QD . . 4.190 3.425 2.638 3.765 . 0 0 "[ . 1 . 2]" 1
823 1 66 GLY HA2 1 73 LYS QE . . 4.710 3.127 1.975 4.197 . 0 0 "[ . 1 . 2]" 1
824 1 57 ARG H 1 57 ARG HD3 . . 4.610 4.551 3.769 4.751 0.141 13 0 "[ . 1 . 2]" 1
825 1 45 PHE QD 1 57 ARG HD3 . . 5.400 2.622 2.084 3.541 . 0 0 "[ . 1 . 2]" 1
826 1 57 ARG HB2 1 57 ARG HD3 . . 4.190 2.700 2.261 2.895 . 0 0 "[ . 1 . 2]" 1
827 1 54 ILE MD 1 57 ARG HD3 . . 5.500 3.483 2.642 4.248 . 0 0 "[ . 1 . 2]" 1
828 1 54 ILE MD 1 57 ARG HD2 . . 5.500 3.362 2.277 4.644 . 0 0 "[ . 1 . 2]" 1
829 1 80 VAL QG 1 81 GLY HA3 . . 4.030 3.861 3.164 4.125 0.095 17 0 "[ . 1 . 2]" 1
830 1 80 VAL QG 1 81 GLY HA2 . . 4.140 3.645 3.242 4.089 . 0 0 "[ . 1 . 2]" 1
831 1 33 ARG HA 1 34 LEU HB3 . . 4.880 4.539 4.351 4.660 . 0 0 "[ . 1 . 2]" 1
832 1 69 LEU HB2 1 70 LYS H . . 4.800 4.474 4.318 4.654 . 0 0 "[ . 1 . 2]" 1
833 1 68 LEU HA 1 69 LEU HB2 . . 4.780 4.432 4.071 4.800 0.020 7 0 "[ . 1 . 2]" 1
834 1 69 LEU HB3 1 74 ILE MG . . 4.190 2.937 2.170 3.631 . 0 0 "[ . 1 . 2]" 1
835 1 9 GLY QA 1 40 ILE HG13 . . 5.090 4.910 4.363 5.098 0.008 18 0 "[ . 1 . 2]" 1
836 1 7 PHE HZ 1 9 GLY QA . . 4.170 3.817 3.115 4.123 . 0 0 "[ . 1 . 2]" 1
837 1 9 GLY QA 1 40 ILE MG . . 4.020 1.914 1.832 2.081 . 0 0 "[ . 1 . 2]" 1
838 1 7 PHE QE 1 9 GLY QA . . 4.150 3.305 2.557 3.979 . 0 0 "[ . 1 . 2]" 1
839 1 33 ARG HA 1 33 ARG HD2 . . 4.450 3.799 2.139 4.504 0.054 11 0 "[ . 1 . 2]" 1
840 1 33 ARG HB2 1 33 ARG HD2 . . 4.060 3.387 2.354 4.257 0.197 16 0 "[ . 1 . 2]" 1
841 1 3 ARG QD 1 46 ASP HA . . 4.170 4.006 3.122 4.262 0.092 18 0 "[ . 1 . 2]" 1
842 1 3 ARG QD 1 5 ILE HG13 . . 3.240 3.173 2.669 3.328 0.088 17 0 "[ . 1 . 2]" 1
843 1 3 ARG HA 1 3 ARG QD . . 4.070 3.650 2.679 4.150 0.080 17 0 "[ . 1 . 2]" 1
844 1 3 ARG QD 1 44 GLU QB . . 3.880 2.227 1.963 2.623 . 0 0 "[ . 1 . 2]" 1
845 1 3 ARG QD 1 5 ILE MD . . 4.660 3.540 2.732 4.193 . 0 0 "[ . 1 . 2]" 1
846 1 67 THR HA 1 68 LEU HB2 . . 4.600 4.574 4.139 4.659 0.059 2 0 "[ . 1 . 2]" 1
847 1 68 LEU HB3 1 71 GLU H . . 4.520 3.824 3.492 4.180 . 0 0 "[ . 1 . 2]" 1
848 1 56 ARG H 1 56 ARG HD2 . . 4.950 4.229 2.271 5.075 0.125 1 0 "[ . 1 . 2]" 1
849 1 33 ARG HA 1 33 ARG HD3 . . 4.390 3.338 2.150 4.509 0.119 14 0 "[ . 1 . 2]" 1
850 1 56 ARG QB 1 56 ARG HD2 . . 3.260 2.713 2.216 3.577 0.317 18 0 "[ . 1 . 2]" 1
851 1 43 LEU HB2 1 44 GLU H . . 5.290 4.355 4.066 4.475 . 0 0 "[ . 1 . 2]" 1
852 1 43 LEU HB2 1 45 PHE QE . . 4.100 2.496 2.181 2.794 . 0 0 "[ . 1 . 2]" 1
853 1 9 GLY QA 1 40 ILE HB . . 5.030 3.594 3.225 3.837 . 0 0 "[ . 1 . 2]" 1
854 1 8 VAL H 1 40 ILE HB . . 5.170 4.120 3.741 4.519 . 0 0 "[ . 1 . 2]" 1
855 1 40 ILE HB 1 42 PHE QE . . 4.470 4.410 3.418 4.551 0.081 10 0 "[ . 1 . 2]" 1
856 1 40 ILE H 1 40 ILE HB . . 3.610 3.672 3.644 3.682 0.072 5 0 "[ . 1 . 2]" 1
857 1 43 LEU H 1 43 LEU HB3 . . 4.060 3.764 3.659 3.837 . 0 0 "[ . 1 . 2]" 1
858 1 43 LEU HB3 1 45 PHE QE . . 4.050 2.575 2.339 2.975 . 0 0 "[ . 1 . 2]" 1
859 1 43 LEU HB3 1 45 PHE HZ . . 4.890 3.709 3.331 4.213 . 0 0 "[ . 1 . 2]" 1
860 1 6 VAL HB 1 43 LEU HB3 . . 3.890 3.785 3.548 3.939 0.049 2 0 "[ . 1 . 2]" 1
861 1 29 PRO HG3 1 43 LEU HB3 . . 4.460 4.068 3.586 4.328 . 0 0 "[ . 1 . 2]" 1
862 1 40 ILE HB 1 40 ILE MD . . 3.230 2.354 2.257 2.494 . 0 0 "[ . 1 . 2]" 1
863 1 35 ARG QD 1 42 PHE QE . . 4.780 3.617 2.105 4.871 0.091 6 0 "[ . 1 . 2]" 1
864 1 78 LEU H 1 78 LEU HB3 . . 3.480 3.234 2.903 3.532 0.052 1 0 "[ . 1 . 2]" 1
865 1 78 LEU H 1 78 LEU HB2 . . 3.420 2.133 2.020 2.304 . 0 0 "[ . 1 . 2]" 1
866 1 78 LEU HB2 1 79 THR H . . 4.500 4.207 4.022 4.285 . 0 0 "[ . 1 . 2]" 1
867 1 35 ARG H 1 35 ARG QD . . 4.770 4.161 2.601 4.676 . 0 0 "[ . 1 . 2]" 1
868 1 35 ARG HA 1 35 ARG QD . . 3.640 2.798 2.050 3.727 0.087 17 0 "[ . 1 . 2]" 1
869 1 35 ARG QD 1 40 ILE MD . . 4.500 3.913 2.729 4.588 0.088 15 0 "[ . 1 . 2]" 1
870 1 20 LEU H 1 20 LEU HB3 . . 3.570 3.495 3.255 3.623 0.053 19 0 "[ . 1 . 2]" 1
871 1 17 ALA HA 1 20 LEU HB3 . . 4.000 3.842 3.326 4.071 0.071 4 0 "[ . 1 . 2]" 1
872 1 20 LEU HB2 1 20 LEU HG . . 2.400 2.627 2.431 3.050 0.650 6 6 "[ .+* -1* * * 2]" 1
873 1 72 LYS HA 1 72 LYS QE . . 4.000 3.783 3.404 4.081 0.081 14 0 "[ . 1 . 2]" 1
874 1 72 LYS QE 1 72 LYS HG2 . . 3.290 3.038 2.256 3.340 0.050 18 0 "[ . 1 . 2]" 1
875 1 63 LEU HB3 1 64 GLN HE21 . . 5.220 3.803 2.999 5.283 0.063 10 0 "[ . 1 . 2]" 1
876 1 72 LYS QE 1 73 LYS H . . 5.090 4.651 3.925 5.172 0.082 19 0 "[ . 1 . 2]" 1
877 1 45 PHE H 1 45 PHE HB2 . . 3.910 2.709 2.514 2.797 . 0 0 "[ . 1 . 2]" 1
878 1 15 ILE HA 1 70 LYS QE . . 4.790 1.882 1.737 2.232 . 0 0 "[ . 1 . 2]" 1
879 1 30 ASP HB2 1 44 GLU QB . . 4.520 4.081 3.493 4.569 0.049 15 0 "[ . 1 . 2]" 1
880 1 30 ASP HB2 1 46 ASP H . . 4.320 2.522 1.942 2.923 . 0 0 "[ . 1 . 2]" 1
881 1 30 ASP HB2 1 45 PHE HA . . 4.330 2.596 2.166 3.207 . 0 0 "[ . 1 . 2]" 1
882 1 63 LEU HB2 1 63 LEU MD1 . . 3.470 2.281 2.244 2.377 . 0 0 "[ . 1 . 2]" 1
883 1 63 LEU HB2 1 64 GLN HE21 . . 5.500 3.070 2.459 4.608 . 0 0 "[ . 1 . 2]" 1
884 1 60 ILE HA 1 63 LEU HB2 . . 3.780 2.652 2.386 2.826 . 0 0 "[ . 1 . 2]" 1
885 1 60 ILE HA 1 63 LEU HB3 . . 4.190 4.181 3.908 4.254 0.064 8 0 "[ . 1 . 2]" 1
886 1 63 LEU HB3 1 63 LEU MD2 . . 3.300 2.334 2.268 2.499 . 0 0 "[ . 1 . 2]" 1
887 1 4 PHE QB 1 44 GLU HA . . 5.120 5.119 4.885 5.199 0.079 3 0 "[ . 1 . 2]" 1
888 1 45 PHE HB3 1 54 ILE MD . . 4.060 2.144 2.015 2.278 . 0 0 "[ . 1 . 2]" 1
889 1 42 PHE H 1 42 PHE HB3 . . 3.860 3.769 3.599 3.851 . 0 0 "[ . 1 . 2]" 1
890 1 70 LYS HB3 1 70 LYS QE . . 4.160 3.327 2.572 4.099 . 0 0 "[ . 1 . 2]" 1
891 1 45 PHE HB2 1 54 ILE MD . . 3.480 2.516 2.317 2.875 . 0 0 "[ . 1 . 2]" 1
892 1 70 LYS HB2 1 70 LYS QE . . 3.510 3.007 2.154 3.950 0.440 13 0 "[ . 1 . 2]" 1
893 1 9 GLY H 1 75 ASN HB2 . . 4.110 4.186 4.182 4.191 0.081 5 0 "[ . 1 . 2]" 1
894 1 75 ASN H 1 75 ASN HB2 . . 3.710 3.737 3.670 3.770 0.060 11 0 "[ . 1 . 2]" 1
895 1 75 ASN HB2 1 76 VAL H . . 4.140 2.676 2.522 2.843 . 0 0 "[ . 1 . 2]" 1
896 1 33 ARG HB2 1 42 PHE HB2 . . 3.880 3.285 2.481 3.708 . 0 0 "[ . 1 . 2]" 1
897 1 30 ASP HB3 1 46 ASP H . . 4.010 3.656 3.007 4.196 0.186 20 0 "[ . 1 . 2]" 1
898 1 75 ASN H 1 75 ASN HB3 . . 3.660 3.308 3.082 3.567 . 0 0 "[ . 1 . 2]" 1
899 1 74 ILE HA 1 75 ASN HB3 . . 4.820 4.545 4.394 4.822 0.002 8 0 "[ . 1 . 2]" 1
900 1 75 ASN HB3 1 76 VAL H . . 4.170 3.843 3.611 4.046 . 0 0 "[ . 1 . 2]" 1
901 1 7 PHE H 1 7 PHE HB2 . . 3.540 2.799 2.662 3.011 . 0 0 "[ . 1 . 2]" 1
902 1 7 PHE HB2 1 79 THR HB . . 4.920 3.394 1.989 4.518 . 0 0 "[ . 1 . 2]" 1
903 1 7 PHE HB2 1 77 GLU QG . . 5.020 3.744 3.010 4.908 . 0 0 "[ . 1 . 2]" 1
904 1 7 PHE HB2 1 79 THR MG . . 4.540 2.290 2.064 3.050 . 0 0 "[ . 1 . 2]" 1
905 1 7 PHE H 1 7 PHE HB3 . . 3.680 2.399 2.297 2.589 . 0 0 "[ . 1 . 2]" 1
906 1 5 ILE MG 1 42 PHE HB2 . . 4.130 4.084 3.774 4.217 0.087 2 0 "[ . 1 . 2]" 1
907 1 46 ASP HB2 1 47 ALA H . . 4.610 4.347 4.142 4.596 . 0 0 "[ . 1 . 2]" 1
908 1 7 PHE HB2 1 77 GLU HB2 . . 5.210 4.775 3.223 5.282 0.072 5 0 "[ . 1 . 2]" 1
909 1 7 PHE HB3 1 8 VAL H . . 4.990 4.233 4.022 4.516 . 0 0 "[ . 1 . 2]" 1
910 1 11 LEU HB2 1 12 PRO HD3 . . 5.200 4.877 4.729 4.956 . 0 0 "[ . 1 . 2]" 1
911 1 11 LEU HB2 1 15 ILE HB . . 5.020 4.503 4.171 4.718 . 0 0 "[ . 1 . 2]" 1
912 1 11 LEU H 1 11 LEU HB2 . . 4.100 2.325 2.243 2.379 . 0 0 "[ . 1 . 2]" 1
913 1 11 LEU HB2 1 12 PRO HD2 . . 4.470 3.913 3.713 4.043 . 0 0 "[ . 1 . 2]" 1
914 1 59 ASP HA 1 62 LEU HB2 . . 3.710 2.637 2.407 2.901 . 0 0 "[ . 1 . 2]" 1
915 1 62 LEU HB2 1 62 LEU MD1 . . 3.540 2.266 2.241 2.345 . 0 0 "[ . 1 . 2]" 1
916 1 62 LEU HB3 1 63 LEU HA . . 4.450 4.270 4.117 4.455 0.005 16 0 "[ . 1 . 2]" 1
917 1 62 LEU H 1 62 LEU HB3 . . 3.720 3.556 3.510 3.613 . 0 0 "[ . 1 . 2]" 1
918 1 62 LEU HB3 1 63 LEU H . . 4.280 3.586 3.179 3.789 . 0 0 "[ . 1 . 2]" 1
919 1 47 ALA MB 1 48 ASP HB3 . . 5.500 4.995 4.677 5.210 . 0 0 "[ . 1 . 2]" 1
920 1 62 LEU HB3 1 64 GLN H . . 4.940 4.971 4.884 5.005 0.065 13 0 "[ . 1 . 2]" 1
921 1 48 ASP H 1 48 ASP HB2 . . 3.480 2.569 2.219 2.900 . 0 0 "[ . 1 . 2]" 1
922 1 48 ASP HB2 1 49 LYS H . . 4.170 4.017 3.694 4.231 0.061 5 0 "[ . 1 . 2]" 1
923 1 47 ALA MB 1 48 ASP HB2 . . 5.500 4.216 3.907 4.515 . 0 0 "[ . 1 . 2]" 1
924 1 50 ASP QB 1 53 GLY H . . 4.010 2.924 2.187 3.317 . 0 0 "[ . 1 . 2]" 1
925 1 49 LYS HG2 1 50 ASP QB . . 5.090 4.359 2.814 5.684 0.594 12 1 "[ . 1 + . 2]" 1
926 1 50 ASP QB 1 54 ILE MG . . 4.270 4.208 3.693 4.371 0.101 20 0 "[ . 1 . 2]" 1
927 1 32 ILE HB 1 33 ARG H . . 4.900 4.318 4.011 4.548 . 0 0 "[ . 1 . 2]" 1
928 1 31 GLN HA 1 32 ILE HB . . 4.800 4.452 4.180 4.720 . 0 0 "[ . 1 . 2]" 1
929 1 9 GLY H 1 74 ILE HB . . 4.590 3.810 3.541 3.953 . 0 0 "[ . 1 . 2]" 1
930 1 5 ILE HB 1 6 VAL H . . 4.860 3.952 3.706 4.197 . 0 0 "[ . 1 . 2]" 1
931 1 5 ILE H 1 5 ILE HB . . 3.640 2.764 2.657 2.933 . 0 0 "[ . 1 . 2]" 1
932 1 4 PHE HA 1 5 ILE HB . . 4.690 4.487 4.211 4.751 0.061 1 0 "[ . 1 . 2]" 1
933 1 59 ASP HB2 1 60 ILE HB . . 5.290 4.916 4.302 5.355 0.065 8 0 "[ . 1 . 2]" 1
934 1 59 ASP H 1 59 ASP HB3 . . 3.650 3.366 2.904 3.676 0.026 13 0 "[ . 1 . 2]" 1
935 1 56 ARG HA 1 59 ASP HB3 . . 3.880 3.516 2.923 3.945 0.065 20 0 "[ . 1 . 2]" 1
936 1 59 ASP HB3 1 60 ILE HB . . 5.500 4.957 4.258 5.547 0.047 11 0 "[ . 1 . 2]" 1
937 1 5 ILE HB 1 79 THR HB . . 4.580 3.921 2.151 4.671 0.091 14 0 "[ . 1 . 2]" 1
938 1 5 ILE HB 1 80 VAL HB . . 3.850 3.315 2.410 3.904 0.054 1 0 "[ . 1 . 2]" 1
939 1 11 LEU HA 1 15 ILE HB . . 5.230 4.559 4.353 4.770 . 0 0 "[ . 1 . 2]" 1
940 1 12 PRO HD3 1 15 ILE HB . . 5.000 4.137 3.974 4.301 . 0 0 "[ . 1 . 2]" 1
941 1 12 PRO HD2 1 15 ILE HB . . 4.410 2.587 2.392 2.805 . 0 0 "[ . 1 . 2]" 1
942 1 15 ILE HB 1 16 THR H . . 4.430 4.223 4.149 4.292 . 0 0 "[ . 1 . 2]" 1
943 1 2 ASN QB 1 47 ALA H . . 4.510 3.684 3.200 3.899 . 0 0 "[ . 1 . 2]" 1
944 1 2 ASN QB 1 48 ASP H . . 4.460 2.996 2.564 4.004 . 0 0 "[ . 1 . 2]" 1
945 1 2 ASN QB 1 47 ALA HA . . 5.020 5.086 4.995 5.106 0.086 2 0 "[ . 1 . 2]" 1
946 1 2 ASN QB 1 47 ALA MB . . 3.540 2.652 2.233 2.911 . 0 0 "[ . 1 . 2]" 1
947 1 37 ASP QB 1 38 LYS QG . . 5.330 3.254 2.662 3.993 . 0 0 "[ . 1 . 2]" 1
948 1 37 ASP QB 1 38 LYS HA . . 4.970 4.332 4.061 4.769 . 0 0 "[ . 1 . 2]" 1
949 1 21 GLN H 1 22 ASN QB . . 4.580 4.410 4.208 4.639 0.059 1 0 "[ . 1 . 2]" 1
950 1 22 ASN H 1 22 ASN QB . . 2.820 2.183 2.107 2.236 . 0 0 "[ . 1 . 2]" 1
951 1 19 GLU HA 1 22 ASN QB . . 3.430 2.516 2.113 3.506 0.076 1 0 "[ . 1 . 2]" 1
952 1 24 PHE HB2 1 43 LEU MD1 . . 5.480 4.826 4.506 5.048 . 0 0 "[ . 1 . 2]" 1
953 1 24 PHE HB3 1 29 PRO HD3 . . 4.660 2.330 2.170 2.489 . 0 0 "[ . 1 . 2]" 1
954 1 24 PHE HB3 1 29 PRO HG3 . . 4.870 2.853 2.454 3.154 . 0 0 "[ . 1 . 2]" 1
955 1 24 PHE HB3 1 43 LEU MD2 . . 5.410 2.887 2.605 3.243 . 0 0 "[ . 1 . 2]" 1
956 1 19 GLU QG 1 20 LEU H . . 4.910 4.135 3.653 4.590 . 0 0 "[ . 1 . 2]" 1
957 1 15 ILE MD 1 19 GLU QG . . 4.360 3.515 2.878 4.422 0.062 20 0 "[ . 1 . 2]" 1
958 1 19 GLU QG 1 70 LYS QE . . 4.570 2.332 1.804 4.393 . 0 0 "[ . 1 . 2]" 1
959 1 26 ASN HB3 1 60 ILE MG . . 3.670 2.316 2.118 2.732 . 0 0 "[ . 1 . 2]" 1
960 1 26 ASN HB2 1 60 ILE MG . . 3.810 3.127 2.234 3.882 0.072 4 0 "[ . 1 . 2]" 1
961 1 50 ASP QB 1 54 ILE HB . . 4.110 3.596 2.942 3.970 . 0 0 "[ . 1 . 2]" 1
962 1 71 GLU H 1 71 GLU HG3 . . 4.040 3.056 2.652 4.118 0.078 2 0 "[ . 1 . 2]" 1
963 1 71 GLU H 1 71 GLU HG2 . . 3.860 3.061 2.568 4.098 0.238 11 0 "[ . 1 . 2]" 1
964 1 71 GLU HA 1 71 GLU HG2 . . 3.470 2.453 2.144 2.884 . 0 0 "[ . 1 . 2]" 1
965 1 5 ILE MG 1 44 GLU QG . . 5.500 2.944 2.258 3.758 . 0 0 "[ . 1 . 2]" 1
966 1 44 GLU QG 1 45 PHE H . . 4.590 4.113 3.706 4.510 . 0 0 "[ . 1 . 2]" 1
967 1 44 GLU H 1 44 GLU QG . . 4.450 2.688 2.193 3.632 . 0 0 "[ . 1 . 2]" 1
968 1 5 ILE MD 1 44 GLU QG . . 4.770 3.276 2.306 3.659 . 0 0 "[ . 1 . 2]" 1
969 1 76 VAL HA 1 77 GLU QG . . 5.470 3.633 3.432 3.888 . 0 0 "[ . 1 . 2]" 1
970 1 7 PHE HB3 1 77 GLU QG . . 5.010 2.472 1.941 3.502 . 0 0 "[ . 1 . 2]" 1
971 1 7 PHE QD 1 77 GLU QG . . 5.110 2.131 2.020 2.263 . 0 0 "[ . 1 . 2]" 1
972 1 77 GLU QG 1 78 LEU H . . 5.010 3.946 3.269 4.544 . 0 0 "[ . 1 . 2]" 1
973 1 76 VAL HB 1 77 GLU H . . 4.830 4.190 3.969 4.425 . 0 0 "[ . 1 . 2]" 1
974 1 65 HIS HB3 1 76 VAL HB . . 3.870 3.822 3.727 3.904 0.034 6 0 "[ . 1 . 2]" 1
975 1 77 GLU HB3 1 78 LEU H . . 4.310 3.239 2.176 3.781 . 0 0 "[ . 1 . 2]" 1
976 1 6 VAL H 1 6 VAL HB . . 3.560 2.521 2.271 2.649 . 0 0 "[ . 1 . 2]" 1
977 1 6 VAL HB 1 45 PHE QE . . 3.850 2.581 2.138 3.201 . 0 0 "[ . 1 . 2]" 1
978 1 6 VAL HB 1 43 LEU HB2 . . 3.640 2.317 2.105 2.486 . 0 0 "[ . 1 . 2]" 1
979 1 77 GLU HB2 1 78 LEU QD . . 5.250 4.770 4.020 5.222 . 0 0 "[ . 1 . 2]" 1
980 1 77 GLU HB2 1 78 LEU H . . 4.220 2.571 2.088 3.320 . 0 0 "[ . 1 . 2]" 1
981 1 7 PHE QD 1 77 GLU HB2 . . 4.840 4.096 2.243 4.926 0.086 17 0 "[ . 1 . 2]" 1
982 1 7 PHE HB3 1 77 GLU HB2 . . 4.470 3.547 2.184 4.314 . 0 0 "[ . 1 . 2]" 1
983 1 38 LYS HB2 1 40 ILE HG13 . . 5.320 3.090 2.282 3.847 . 0 0 "[ . 1 . 2]" 1
984 1 72 LYS HB3 1 74 ILE MG . . 5.440 3.132 2.589 4.228 . 0 0 "[ . 1 . 2]" 1
985 1 69 LEU H 1 72 LYS HB2 . . 5.320 4.046 3.780 4.557 . 0 0 "[ . 1 . 2]" 1
986 1 38 LYS HB2 1 40 ILE H . . 4.780 4.014 3.529 4.403 . 0 0 "[ . 1 . 2]" 1
987 1 12 PRO HD3 1 72 LYS HB3 . . 4.770 3.091 2.513 3.632 . 0 0 "[ . 1 . 2]" 1
988 1 72 LYS HB2 1 72 LYS QE . . 5.010 3.548 2.741 4.431 . 0 0 "[ . 1 . 2]" 1
989 1 72 LYS HB2 1 73 LYS H . . 4.540 4.422 4.000 4.594 0.054 16 0 "[ . 1 . 2]" 1
990 1 12 PRO HD3 1 72 LYS HB2 . . 4.490 2.644 2.126 3.179 . 0 0 "[ . 1 . 2]" 1
991 1 72 LYS HB2 1 74 ILE MG . . 4.680 3.611 2.849 4.306 . 0 0 "[ . 1 . 2]" 1
992 1 31 GLN HG2 1 32 ILE H . . 4.440 3.293 2.113 4.123 . 0 0 "[ . 1 . 2]" 1
993 1 72 LYS HB3 1 72 LYS QE . . 4.490 2.648 1.979 4.056 . 0 0 "[ . 1 . 2]" 1
994 1 21 GLN HA 1 21 GLN QG . . 3.900 2.565 2.226 3.161 . 0 0 "[ . 1 . 2]" 1
995 1 21 GLN QG 1 32 ILE MD . . 4.060 2.515 1.933 3.772 . 0 0 "[ . 1 . 2]" 1
996 1 55 GLN QG 1 56 ARG HA . . 4.950 4.509 3.468 5.033 0.083 8 0 "[ . 1 . 2]" 1
997 1 55 GLN HA 1 55 GLN QG . . 3.440 2.755 2.436 3.288 . 0 0 "[ . 1 . 2]" 1
998 1 54 ILE MG 1 55 GLN QG . . 4.530 4.528 4.185 4.635 0.105 11 0 "[ . 1 . 2]" 1
999 1 8 VAL HB 1 41 ALA H . . 3.900 3.151 2.801 3.583 . 0 0 "[ . 1 . 2]" 1
1000 1 8 VAL HB 1 11 LEU MD2 . . 4.360 3.552 3.132 4.000 . 0 0 "[ . 1 . 2]" 1
1001 1 5 ILE H 1 80 VAL HB . . 4.360 3.281 2.366 3.857 . 0 0 "[ . 1 . 2]" 1
1002 1 24 PHE QD 1 64 GLN HG2 . . 5.040 4.175 3.221 5.114 0.074 10 0 "[ . 1 . 2]" 1
1003 1 24 PHE QE 1 64 GLN HG2 . . 4.610 3.442 2.804 4.545 . 0 0 "[ . 1 . 2]" 1
1004 1 31 GLN HB3 1 44 GLU H . . 4.180 2.793 1.791 3.910 . 0 0 "[ . 1 . 2]" 1
1005 1 24 PHE QD 1 64 GLN HG3 . . 4.700 3.636 2.942 4.346 . 0 0 "[ . 1 . 2]" 1
1006 1 23 HIS HD2 1 64 GLN HG3 . . 5.130 3.260 2.137 5.175 0.045 15 0 "[ . 1 . 2]" 1
1007 1 24 PHE QE 1 64 GLN HG3 . . 4.430 3.072 2.680 3.899 . 0 0 "[ . 1 . 2]" 1
1008 1 61 ALA HA 1 64 GLN HG3 . . 4.400 3.258 2.365 3.713 . 0 0 "[ . 1 . 2]" 1
1009 1 66 GLY HA2 1 73 LYS HB2 . . 5.470 5.274 5.074 5.498 0.028 19 0 "[ . 1 . 2]" 1
1010 1 5 ILE MD 1 44 GLU QB . . 5.060 4.460 3.558 5.014 . 0 0 "[ . 1 . 2]" 1
1011 1 3 ARG QB 1 46 ASP HA . . 4.310 2.944 1.986 4.382 0.072 3 0 "[ . 1 . 2]" 1
1012 1 66 GLY HA2 1 73 LYS HB3 . . 4.980 4.898 4.461 5.049 0.069 4 0 "[ . 1 . 2]" 1
1013 1 73 LYS HB2 1 73 LYS QE . . 4.550 3.778 2.490 4.102 . 0 0 "[ . 1 . 2]" 1
1014 1 23 HIS HB2 1 24 PHE H . . 4.220 3.326 2.598 3.749 . 0 0 "[ . 1 . 2]" 1
1015 1 23 HIS HB2 1 24 PHE QD . . 4.310 3.993 3.443 4.353 0.043 18 0 "[ . 1 . 2]" 1
1016 1 23 HIS H 1 23 HIS HB3 . . 3.650 3.256 2.895 3.558 . 0 0 "[ . 1 . 2]" 1
1017 1 22 ASN HA 1 25 LYS HB3 . . 3.780 3.251 2.333 3.849 0.069 13 0 "[ . 1 . 2]" 1
1018 1 22 ASN HA 1 25 LYS HB2 . . 3.690 2.917 2.236 3.848 0.158 11 0 "[ . 1 . 2]" 1
1019 1 55 GLN HA 1 58 MET HB2 . . 4.170 2.838 2.583 3.059 . 0 0 "[ . 1 . 2]" 1
1020 1 54 ILE MD 1 58 MET HB2 . . 5.500 4.658 4.112 5.452 . 0 0 "[ . 1 . 2]" 1
1021 1 55 GLN HA 1 58 MET HB3 . . 4.570 4.374 4.026 4.632 0.062 17 0 "[ . 1 . 2]" 1
1022 1 12 PRO HB2 1 70 LYS QE . . 5.000 3.855 2.713 5.070 0.070 13 0 "[ . 1 . 2]" 1
1023 1 33 ARG HB3 1 42 PHE HB2 . . 4.150 2.783 2.121 3.399 . 0 0 "[ . 1 . 2]" 1
1024 1 33 ARG HB3 1 42 PHE QD . . 4.660 2.977 2.600 3.303 . 0 0 "[ . 1 . 2]" 1
1025 1 33 ARG HB2 1 42 PHE QD . . 4.520 4.326 3.663 4.664 0.144 8 0 "[ . 1 . 2]" 1
1026 1 33 ARG HB2 1 42 PHE HB3 . . 5.050 4.733 3.987 5.118 0.068 11 0 "[ . 1 . 2]" 1
1027 1 33 ARG HB2 1 42 PHE H . . 5.090 4.169 3.642 4.620 . 0 0 "[ . 1 . 2]" 1
1028 1 65 HIS HB2 1 76 VAL HB . . 3.480 2.165 2.072 2.358 . 0 0 "[ . 1 . 2]" 1
1029 1 65 HIS HB2 1 76 VAL MG2 . . 4.330 3.518 3.291 3.988 . 0 0 "[ . 1 . 2]" 1
1030 1 65 HIS HB2 1 76 VAL H . . 4.330 3.206 3.058 3.384 . 0 0 "[ . 1 . 2]" 1
1031 1 65 HIS HB2 1 66 GLY H . . 4.440 4.368 4.056 4.457 0.017 11 0 "[ . 1 . 2]" 1
1032 1 65 HIS HB3 1 66 GLY H . . 4.730 4.285 4.065 4.368 . 0 0 "[ . 1 . 2]" 1
1033 1 65 HIS HB3 1 76 VAL H . . 4.770 4.404 4.257 4.508 . 0 0 "[ . 1 . 2]" 1
1034 1 12 PRO HB3 1 72 LYS HG3 . . 4.750 2.333 2.124 3.119 . 0 0 "[ . 1 . 2]" 1
1035 1 12 PRO HB2 1 15 ILE MD . . 4.540 4.501 4.093 4.621 0.081 3 0 "[ . 1 . 2]" 1
1036 1 33 ARG HB3 1 42 PHE HB3 . . 4.940 4.490 3.797 5.102 0.162 20 0 "[ . 1 . 2]" 1
1037 1 33 ARG H 1 33 ARG HB2 . . 4.150 2.837 2.627 3.318 . 0 0 "[ . 1 . 2]" 1
1038 1 45 PHE QD 1 58 MET HG2 . . 5.130 4.540 3.486 5.204 0.074 7 0 "[ . 1 . 2]" 1
1039 1 58 MET HG2 1 78 LEU QD . . 4.970 3.449 2.203 4.565 . 0 0 "[ . 1 . 2]" 1
1040 1 29 PRO HB3 1 45 PHE QE . . 5.120 3.247 2.786 3.855 . 0 0 "[ . 1 . 2]" 1
1041 1 29 PRO HB3 1 43 LEU MD1 . . 5.240 4.719 4.508 4.944 . 0 0 "[ . 1 . 2]" 1
1042 1 29 PRO HB3 1 44 GLU H . . 4.530 4.767 4.374 4.867 0.337 5 0 "[ . 1 . 2]" 1
1043 1 29 PRO HB3 1 43 LEU HA . . 4.910 4.408 4.088 4.756 . 0 0 "[ . 1 . 2]" 1
1044 1 29 PRO HB3 1 32 ILE MD . . 4.680 4.448 4.078 5.114 0.434 2 0 "[ . 1 . 2]" 1
1045 1 29 PRO HB3 1 43 LEU MD2 . . 4.920 2.379 2.173 2.743 . 0 0 "[ . 1 . 2]" 1
1046 1 29 PRO HB2 1 44 GLU H . . 4.800 3.933 3.661 4.157 . 0 0 "[ . 1 . 2]" 1
1047 1 29 PRO HB2 1 45 PHE QE . . 5.440 4.427 4.143 4.920 . 0 0 "[ . 1 . 2]" 1
1048 1 29 PRO HB2 1 43 LEU HB3 . . 4.310 3.042 2.771 3.434 . 0 0 "[ . 1 . 2]" 1
1049 1 45 PHE QD 1 57 ARG HB3 . . 4.230 2.583 2.255 3.014 . 0 0 "[ . 1 . 2]" 1
1050 1 45 PHE QD 1 57 ARG HB2 . . 5.070 3.424 2.928 4.009 . 0 0 "[ . 1 . 2]" 1
1051 1 29 PRO HB2 1 43 LEU MD1 . . 5.200 5.178 5.023 5.290 0.090 5 0 "[ . 1 . 2]" 1
1052 1 29 PRO HB2 1 31 GLN H . . 5.240 2.994 2.639 3.384 . 0 0 "[ . 1 . 2]" 1
1053 1 29 PRO HB2 1 32 ILE MD . . 5.160 3.673 3.010 4.120 . 0 0 "[ . 1 . 2]" 1
1054 1 15 ILE MD 1 19 GLU HB2 . . 4.370 2.730 2.377 3.218 . 0 0 "[ . 1 . 2]" 1
1055 1 19 GLU H 1 19 GLU HB2 . . 4.000 2.327 2.134 2.703 . 0 0 "[ . 1 . 2]" 1
1056 1 50 ASP HA 1 51 ARG QB . . 5.230 4.229 3.991 4.582 . 0 0 "[ . 1 . 2]" 1
1057 1 15 ILE MD 1 19 GLU HB3 . . 4.300 3.134 2.855 3.501 . 0 0 "[ . 1 . 2]" 1
1058 1 12 PRO HG3 1 70 LYS HB3 . . 3.560 3.573 2.418 3.991 0.431 10 0 "[ . 1 . 2]" 1
1059 1 70 LYS HB3 1 71 GLU H . . 4.270 4.389 4.250 4.533 0.263 16 0 "[ . 1 . 2]" 1
1060 1 56 ARG H 1 56 ARG QB . . 3.480 2.388 2.059 2.611 . 0 0 "[ . 1 . 2]" 1
1061 1 56 ARG QB 1 57 ARG H . . 4.170 2.674 2.272 3.052 . 0 0 "[ . 1 . 2]" 1
1062 1 60 ILE HA 1 60 ILE HG13 . . 3.650 2.757 2.638 2.881 . 0 0 "[ . 1 . 2]" 1
1063 1 70 LYS HB2 1 71 GLU H . . 4.500 4.340 4.299 4.435 . 0 0 "[ . 1 . 2]" 1
1064 1 60 ILE H 1 60 ILE HG13 . . 3.670 2.300 2.150 2.429 . 0 0 "[ . 1 . 2]" 1
1065 1 15 ILE H 1 15 ILE HG13 . . 4.660 4.471 4.415 4.552 . 0 0 "[ . 1 . 2]" 1
1066 1 15 ILE HA 1 15 ILE HG13 . . 3.850 2.945 2.642 3.059 . 0 0 "[ . 1 . 2]" 1
1067 1 15 ILE HG13 1 70 LYS QE . . 3.860 3.951 3.919 3.965 0.105 4 0 "[ . 1 . 2]" 1
1068 1 15 ILE HG13 1 34 LEU HG . . 3.010 3.078 3.043 3.094 0.084 4 0 "[ . 1 . 2]" 1
1069 1 15 ILE HA 1 70 LYS QD . . 5.200 3.221 2.198 4.139 . 0 0 "[ . 1 . 2]" 1
1070 1 70 LYS HA 1 70 LYS QD . . 4.880 3.894 3.106 4.191 . 0 0 "[ . 1 . 2]" 1
1071 1 12 PRO HG3 1 70 LYS QD . . 4.350 3.423 2.428 4.428 0.078 3 0 "[ . 1 . 2]" 1
1072 1 12 PRO HD2 1 15 ILE HG12 . . 5.300 3.620 3.454 3.828 . 0 0 "[ . 1 . 2]" 1
1073 1 15 ILE HG12 1 16 THR H . . 4.630 4.178 4.085 4.318 . 0 0 "[ . 1 . 2]" 1
1074 1 38 LYS HB3 1 38 LYS QD . . 3.850 2.332 2.161 2.822 . 0 0 "[ . 1 . 2]" 1
1075 1 4 PHE QD 1 54 ILE HG13 . . 5.240 3.833 2.703 4.990 . 0 0 "[ . 1 . 2]" 1
1076 1 47 ALA HA 1 54 ILE HG13 . . 5.220 3.938 3.733 4.392 . 0 0 "[ . 1 . 2]" 1
1077 1 45 PHE HB2 1 54 ILE HG13 . . 4.680 4.752 4.179 4.986 0.306 11 0 "[ . 1 . 2]" 1
1078 1 45 PHE HB3 1 54 ILE HG13 . . 4.920 4.562 3.858 4.739 . 0 0 "[ . 1 . 2]" 1
1079 1 54 ILE HG13 1 58 MET HG3 . . 4.540 3.404 2.902 3.716 . 0 0 "[ . 1 . 2]" 1
1080 1 15 ILE HG12 1 34 LEU HG . . 3.730 3.082 2.911 3.226 . 0 0 "[ . 1 . 2]" 1
1081 1 54 ILE H 1 54 ILE HG12 . . 4.940 4.631 4.545 4.720 . 0 0 "[ . 1 . 2]" 1
1082 1 4 PHE QD 1 54 ILE HG12 . . 5.380 3.063 2.462 4.468 . 0 0 "[ . 1 . 2]" 1
1083 1 45 PHE HB2 1 54 ILE HG12 . . 5.170 4.947 4.504 5.172 0.002 8 0 "[ . 1 . 2]" 1
1084 1 54 ILE HG12 1 58 MET HG3 . . 4.970 4.830 4.296 5.037 0.067 13 0 "[ . 1 . 2]" 1
1085 1 35 ARG HB2 1 38 LYS H . . 5.050 4.449 3.977 4.930 . 0 0 "[ . 1 . 2]" 1
1086 1 35 ARG HB3 1 40 ILE H . . 5.280 4.183 3.659 4.887 . 0 0 "[ . 1 . 2]" 1
1087 1 35 ARG HB2 1 40 ILE HG13 . . 4.450 2.696 2.161 4.517 0.067 4 0 "[ . 1 . 2]" 1
1088 1 61 ALA HA 1 64 GLN HB2 . . 5.260 3.998 3.753 4.246 . 0 0 "[ . 1 . 2]" 1
1089 1 64 GLN HB3 1 74 ILE MD . . 5.260 3.662 2.359 4.609 . 0 0 "[ . 1 . 2]" 1
1090 1 64 GLN HB2 1 74 ILE MD . . 4.900 4.201 2.953 4.963 0.063 9 0 "[ . 1 . 2]" 1
1091 1 24 PHE QE 1 64 GLN HB2 . . 4.340 3.016 2.290 3.574 . 0 0 "[ . 1 . 2]" 1
1092 1 64 GLN HB2 1 76 VAL MG2 . . 4.660 2.193 2.020 2.434 . 0 0 "[ . 1 . 2]" 1
1093 1 12 PRO HG3 1 70 LYS QE . . 5.200 3.455 2.059 5.025 . 0 0 "[ . 1 . 2]" 1
1094 1 72 LYS QD 1 73 LYS H . . 4.620 3.329 2.961 3.865 . 0 0 "[ . 1 . 2]" 1
1095 1 20 LEU H 1 21 GLN QB . . 5.160 4.534 3.964 4.898 . 0 0 "[ . 1 . 2]" 1
1096 1 21 GLN QB 1 22 ASN HA . . 4.840 3.970 3.789 4.599 . 0 0 "[ . 1 . 2]" 1
1097 1 21 GLN QB 1 22 ASN QB . . 4.600 3.879 3.632 4.157 . 0 0 "[ . 1 . 2]" 1
1098 1 54 ILE H 1 55 GLN QB . . 5.150 4.421 4.110 4.864 . 0 0 "[ . 1 . 2]" 1
1099 1 33 ARG QG 1 42 PHE QD . . 4.930 4.264 2.699 4.779 . 0 0 "[ . 1 . 2]" 1
1100 1 66 GLY HA3 1 73 LYS QD . . 4.060 3.784 2.927 4.144 0.084 8 0 "[ . 1 . 2]" 1
1101 1 33 ARG H 1 33 ARG QG . . 4.490 4.139 3.971 4.222 . 0 0 "[ . 1 . 2]" 1
1102 1 33 ARG HA 1 33 ARG QG . . 3.980 2.314 2.131 2.597 . 0 0 "[ . 1 . 2]" 1
1103 1 62 LEU H 1 62 LEU HG . . 3.530 2.674 2.491 2.878 . 0 0 "[ . 1 . 2]" 1
1104 1 27 SER HA 1 57 ARG QG . . 4.560 3.200 2.262 3.860 . 0 0 "[ . 1 . 2]" 1
1105 1 68 LEU HA 1 68 LEU HG . . 4.030 3.189 2.180 3.542 . 0 0 "[ . 1 . 2]" 1
1106 1 5 ILE HG13 1 6 VAL H . . 5.020 4.779 4.597 4.980 . 0 0 "[ . 1 . 2]" 1
1107 1 5 ILE H 1 5 ILE HG13 . . 4.180 3.265 3.002 3.497 . 0 0 "[ . 1 . 2]" 1
1108 1 5 ILE HA 1 5 ILE HG13 . . 4.090 2.777 2.626 3.076 . 0 0 "[ . 1 . 2]" 1
1109 1 3 ARG QG 1 4 PHE H . . 4.890 3.681 2.681 4.539 . 0 0 "[ . 1 . 2]" 1
1110 1 3 ARG QG 1 46 ASP HA . . 4.400 3.527 2.093 4.493 0.093 8 0 "[ . 1 . 2]" 1
1111 1 5 ILE HA 1 5 ILE HG12 . . 3.990 3.014 2.732 3.587 . 0 0 "[ . 1 . 2]" 1
1112 1 5 ILE H 1 5 ILE HG12 . . 4.430 4.450 4.268 4.504 0.074 4 0 "[ . 1 . 2]" 1
1113 1 4 PHE HA 1 5 ILE HG12 . . 5.310 5.235 4.778 5.375 0.065 17 0 "[ . 1 . 2]" 1
1114 1 78 LEU H 1 78 LEU HG . . 4.230 4.230 3.722 4.310 0.080 2 0 "[ . 1 . 2]" 1
1115 1 78 LEU HA 1 78 LEU HG . . 4.250 3.611 2.147 3.755 . 0 0 "[ . 1 . 2]" 1
1116 1 56 ARG HG3 1 57 ARG H . . 5.200 4.901 4.370 5.249 0.049 13 0 "[ . 1 . 2]" 1
1117 1 56 ARG H 1 56 ARG HG2 . . 4.410 3.047 2.086 4.478 0.068 16 0 "[ . 1 . 2]" 1
1118 1 56 ARG HA 1 56 ARG HG2 . . 4.170 2.927 2.108 3.718 . 0 0 "[ . 1 . 2]" 1
1119 1 63 LEU H 1 63 LEU HG . . 3.800 2.736 2.412 3.085 . 0 0 "[ . 1 . 2]" 1
1120 1 60 ILE HA 1 63 LEU HG . . 4.390 3.933 3.378 4.422 0.032 7 0 "[ . 1 . 2]" 1
1121 1 32 ILE MG 1 43 LEU HG . . 3.520 3.087 2.169 3.584 0.064 13 0 "[ . 1 . 2]" 1
1122 1 11 LEU MD2 1 12 PRO HD2 . . 5.500 3.799 3.502 3.989 . 0 0 "[ . 1 . 2]" 1
1123 1 11 LEU MD2 1 15 ILE HG12 . . 3.460 2.120 2.004 2.200 . 0 0 "[ . 1 . 2]" 1
1124 1 11 LEU HB3 1 11 LEU MD2 . . 3.530 2.372 2.303 2.437 . 0 0 "[ . 1 . 2]" 1
1125 1 35 ARG HG3 1 42 PHE QE . . 5.470 3.436 2.271 5.012 . 0 0 "[ . 1 . 2]" 1
1126 1 35 ARG HG2 1 42 PHE QE . . 5.500 4.067 2.232 5.540 0.040 10 0 "[ . 1 . 2]" 1
1127 1 35 ARG H 1 35 ARG HG2 . . 4.750 3.873 3.072 4.801 0.051 17 0 "[ . 1 . 2]" 1
1128 1 38 LYS HB3 1 40 ILE HG12 . . 4.730 2.525 2.120 3.159 . 0 0 "[ . 1 . 2]" 1
1129 1 11 LEU MD1 1 39 GLY HA3 . . 4.490 4.564 4.502 4.665 0.175 18 0 "[ . 1 . 2]" 1
1130 1 11 LEU MD1 1 15 ILE HG12 . . 4.850 4.633 4.563 4.700 . 0 0 "[ . 1 . 2]" 1
1131 1 11 LEU MD1 1 75 ASN HD22 . . 4.610 4.700 4.684 4.708 0.098 7 0 "[ . 1 . 2]" 1
1132 1 10 SER H 1 11 LEU MD2 . . 5.500 5.262 5.020 5.473 . 0 0 "[ . 1 . 2]" 1
1133 1 11 LEU MD2 1 15 ILE MD . . 3.580 3.087 2.925 3.201 . 0 0 "[ . 1 . 2]" 1
1134 1 40 ILE H 1 40 ILE HG13 . . 4.200 2.295 2.129 2.901 . 0 0 "[ . 1 . 2]" 1
1135 1 40 ILE HG12 1 41 ALA H . . 4.920 4.877 4.618 5.107 0.187 12 0 "[ . 1 . 2]" 1
1136 1 40 ILE HG12 1 42 PHE QE . . 5.320 5.220 4.454 5.930 0.610 10 1 "[ . + . 2]" 1
1137 1 20 LEU QD 1 24 PHE QD . . 4.280 3.527 3.104 3.983 . 0 0 "[ . 1 . 2]" 1
1138 1 20 LEU QD 1 24 PHE QE . . 4.510 2.897 2.496 3.554 . 0 0 "[ . 1 . 2]" 1
1139 1 20 LEU QD 1 34 LEU HB3 . . 3.480 3.300 3.160 3.520 0.040 19 0 "[ . 1 . 2]" 1
1140 1 20 LEU QD 1 34 LEU HG . . 3.220 2.369 2.159 2.655 . 0 0 "[ . 1 . 2]" 1
1141 1 20 LEU QD 1 34 LEU HB2 . . 3.370 2.070 1.986 2.268 . 0 0 "[ . 1 . 2]" 1
1142 1 20 LEU QD 1 43 LEU MD2 . . 4.430 3.723 3.346 4.028 . 0 0 "[ . 1 . 2]" 1
1143 1 20 LEU QD 1 43 LEU MD1 . . 5.110 3.337 2.686 3.876 . 0 0 "[ . 1 . 2]" 1
1144 1 69 LEU QD 1 70 LYS H . . 3.850 2.707 2.264 3.106 . 0 0 "[ . 1 . 2]" 1
1145 1 23 HIS HD2 1 69 LEU QD . . 5.380 3.952 2.984 4.787 . 0 0 "[ . 1 . 2]" 1
1146 1 23 HIS HB2 1 69 LEU QD . . 3.680 2.980 2.290 3.559 . 0 0 "[ . 1 . 2]" 1
1147 1 15 ILE MD 1 69 LEU QD . . 3.480 2.247 1.875 2.660 . 0 0 "[ . 1 . 2]" 1
1148 1 69 LEU QD 1 74 ILE MD . . 3.450 2.312 1.897 3.516 0.066 17 0 "[ . 1 . 2]" 1
1149 1 49 LYS HA 1 49 LYS HG3 . . 4.060 2.744 2.212 3.691 . 0 0 "[ . 1 . 2]" 1
1150 1 49 LYS H 1 49 LYS HG2 . . 4.720 4.325 3.807 4.636 . 0 0 "[ . 1 . 2]" 1
1151 1 69 LEU HA 1 70 LYS QG . . 4.620 3.985 3.593 4.666 0.046 17 0 "[ . 1 . 2]" 1
1152 1 70 LYS QG 1 71 GLU H . . 4.980 4.434 4.267 4.570 . 0 0 "[ . 1 . 2]" 1
1153 1 12 PRO HG3 1 70 LYS QG . . 4.680 3.761 2.504 4.538 . 0 0 "[ . 1 . 2]" 1
1154 1 78 LEU HB3 1 78 LEU QD . . 3.050 2.290 2.119 2.374 . 0 0 "[ . 1 . 2]" 1
1155 1 63 LEU H 1 63 LEU MD1 . . 4.540 3.491 3.338 3.868 . 0 0 "[ . 1 . 2]" 1
1156 1 59 ASP HA 1 62 LEU MD1 . . 3.990 2.632 2.311 3.094 . 0 0 "[ . 1 . 2]" 1
1157 1 60 ILE HA 1 63 LEU MD1 . . 3.720 2.294 2.146 2.642 . 0 0 "[ . 1 . 2]" 1
1158 1 68 LEU MD1 1 71 GLU H . . 5.050 5.043 4.764 5.140 0.090 3 0 "[ . 1 . 2]" 1
1159 1 68 LEU H 1 68 LEU MD1 . . 4.680 3.968 3.564 4.246 . 0 0 "[ . 1 . 2]" 1
1160 1 68 LEU HA 1 68 LEU MD1 . . 4.360 3.769 3.648 3.907 . 0 0 "[ . 1 . 2]" 1
1161 1 68 LEU MD1 1 71 GLU HA . . 4.000 3.810 3.368 4.081 0.081 1 0 "[ . 1 . 2]" 1
1162 1 68 LEU MD1 1 73 LYS QE . . 5.050 4.902 2.458 5.168 0.118 14 0 "[ . 1 . 2]" 1
1163 1 68 LEU HB3 1 68 LEU MD1 . . 3.430 2.335 2.259 2.593 . 0 0 "[ . 1 . 2]" 1
1164 1 68 LEU MD1 1 73 LYS HA . . 4.770 4.617 4.026 4.857 0.087 19 0 "[ . 1 . 2]" 1
1165 1 68 LEU MD1 1 73 LYS QD . . 3.510 3.583 3.362 3.630 0.120 8 0 "[ . 1 . 2]" 1
1166 1 11 LEU HG 1 15 ILE MD . . 2.930 2.968 2.645 3.009 0.079 4 0 "[ . 1 . 2]" 1
1167 1 66 GLY HA3 1 73 LYS QG . . 4.620 3.552 3.301 3.805 . 0 0 "[ . 1 . 2]" 1
1168 1 66 GLY HA2 1 73 LYS QG . . 4.180 2.373 2.153 2.541 . 0 0 "[ . 1 . 2]" 1
1169 1 78 LEU QD 1 79 THR H . . 3.910 2.433 1.858 3.617 . 0 0 "[ . 1 . 2]" 1
1170 1 4 PHE QD 1 78 LEU QD . . 4.450 3.042 2.142 4.455 0.005 18 0 "[ . 1 . 2]" 1
1171 1 4 PHE QB 1 78 LEU QD . . 4.060 3.063 2.345 4.078 0.018 19 0 "[ . 1 . 2]" 1
1172 1 72 LYS HA 1 72 LYS HG2 . . 3.690 2.572 2.063 2.979 . 0 0 "[ . 1 . 2]" 1
1173 1 12 PRO HD3 1 72 LYS HG2 . . 5.310 4.853 3.998 5.360 0.050 8 0 "[ . 1 . 2]" 1
1174 1 67 THR H 1 74 ILE HG12 . . 4.850 3.773 3.030 4.417 . 0 0 "[ . 1 . 2]" 1
1175 1 40 ILE HA 1 41 ALA MB . . 4.390 3.807 3.691 3.953 . 0 0 "[ . 1 . 2]" 1
1176 1 11 LEU HG 1 12 PRO HD3 . . 3.890 3.872 3.496 3.951 0.061 15 0 "[ . 1 . 2]" 1
1177 1 11 LEU HG 1 12 PRO HD2 . . 3.710 2.810 2.524 3.055 . 0 0 "[ . 1 . 2]" 1
1178 1 11 LEU HG 1 15 ILE HG12 . . 3.320 3.378 3.336 3.390 0.070 14 0 "[ . 1 . 2]" 1
1179 1 72 LYS H 1 72 LYS HG3 . . 4.630 4.328 3.751 4.682 0.052 16 0 "[ . 1 . 2]" 1
1180 1 72 LYS HA 1 72 LYS HG3 . . 4.030 3.657 3.436 3.820 . 0 0 "[ . 1 . 2]" 1
1181 1 11 LEU MD2 1 41 ALA MB . . 3.890 2.145 1.926 2.791 . 0 0 "[ . 1 . 2]" 1
1182 1 43 LEU H 1 43 LEU MD1 . . 4.530 2.782 2.443 3.061 . 0 0 "[ . 1 . 2]" 1
1183 1 24 PHE QE 1 43 LEU MD1 . . 4.740 3.054 2.585 3.309 . 0 0 "[ . 1 . 2]" 1
1184 1 24 PHE HZ 1 43 LEU MD1 . . 4.420 3.564 3.176 3.976 . 0 0 "[ . 1 . 2]" 1
1185 1 43 LEU MD1 1 45 PHE HZ . . 5.320 4.850 4.398 5.390 0.070 2 0 "[ . 1 . 2]" 1
1186 1 42 PHE HA 1 43 LEU MD1 . . 5.170 3.206 2.893 3.583 . 0 0 "[ . 1 . 2]" 1
1187 1 43 LEU HA 1 43 LEU MD1 . . 4.590 3.410 3.239 3.545 . 0 0 "[ . 1 . 2]" 1
1188 1 32 ILE HA 1 43 LEU MD1 . . 5.040 4.061 3.482 4.462 . 0 0 "[ . 1 . 2]" 1
1189 1 24 PHE HB3 1 43 LEU MD1 . . 5.220 4.971 4.690 5.278 0.058 19 0 "[ . 1 . 2]" 1
1190 1 6 VAL HB 1 43 LEU MD1 . . 4.200 3.277 2.774 3.746 . 0 0 "[ . 1 . 2]" 1
1191 1 43 LEU HB3 1 43 LEU MD1 . . 3.470 3.168 3.132 3.203 . 0 0 "[ . 1 . 2]" 1
1192 1 6 VAL MG1 1 43 LEU MD1 . . 4.040 3.281 2.272 3.953 . 0 0 "[ . 1 . 2]" 1
1193 1 8 VAL MG2 1 43 LEU MD1 . . 3.980 2.040 1.917 2.376 . 0 0 "[ . 1 . 2]" 1
1194 1 34 LEU HA 1 34 LEU MD2 . . 3.570 2.173 2.115 2.285 . 0 0 "[ . 1 . 2]" 1
1195 1 34 LEU MD2 1 41 ALA HA . . 3.510 3.416 3.258 3.582 0.072 18 0 "[ . 1 . 2]" 1
1196 1 20 LEU QD 1 34 LEU MD2 . . 3.240 2.332 2.058 2.622 . 0 0 "[ . 1 . 2]" 1
1197 1 62 LEU H 1 62 LEU MD2 . . 4.220 3.875 3.465 4.046 . 0 0 "[ . 1 . 2]" 1
1198 1 62 LEU MD2 1 77 GLU HA . . 3.680 2.979 2.320 3.576 . 0 0 "[ . 1 . 2]" 1
1199 1 62 LEU HB3 1 62 LEU MD2 . . 3.220 2.321 2.244 2.455 . 0 0 "[ . 1 . 2]" 1
1200 1 34 LEU MD1 1 40 ILE H . . 5.300 5.048 4.733 5.282 . 0 0 "[ . 1 . 2]" 1
1201 1 34 LEU MD1 1 35 ARG HA . . 4.190 3.451 3.181 3.654 . 0 0 "[ . 1 . 2]" 1
1202 1 34 LEU MD1 1 36 ALA H . . 3.540 2.268 2.075 2.693 . 0 0 "[ . 1 . 2]" 1
1203 1 34 LEU HB2 1 34 LEU MD1 . . 3.660 3.158 3.090 3.199 . 0 0 "[ . 1 . 2]" 1
1204 1 69 LEU HA 1 69 LEU QD . . 3.380 2.236 2.071 2.749 . 0 0 "[ . 1 . 2]" 1
1205 1 69 LEU QD 1 70 LYS HA . . 4.710 4.339 3.876 4.713 0.003 20 0 "[ . 1 . 2]" 1
1206 1 69 LEU QD 1 70 LYS QG . . 4.570 2.746 2.203 3.916 . 0 0 "[ . 1 . 2]" 1
1207 1 43 LEU H 1 43 LEU MD2 . . 4.730 4.558 4.402 4.670 . 0 0 "[ . 1 . 2]" 1
1208 1 33 ARG H 1 43 LEU MD2 . . 5.330 4.977 4.696 5.393 0.063 19 0 "[ . 1 . 2]" 1
1209 1 43 LEU MD2 1 44 GLU H . . 4.710 4.681 4.239 4.775 0.065 3 0 "[ . 1 . 2]" 1
1210 1 24 PHE QD 1 43 LEU MD2 . . 4.980 2.493 2.206 2.769 . 0 0 "[ . 1 . 2]" 1
1211 1 43 LEU HA 1 43 LEU MD2 . . 3.740 3.421 3.309 3.551 . 0 0 "[ . 1 . 2]" 1
1212 1 24 PHE HB2 1 43 LEU MD2 . . 5.170 2.808 2.581 2.987 . 0 0 "[ . 1 . 2]" 1
1213 1 32 ILE MD 1 43 LEU MD2 . . 3.340 3.297 2.700 3.439 0.099 11 0 "[ . 1 . 2]" 1
1214 1 63 LEU H 1 63 LEU MD2 . . 4.470 3.907 3.588 4.071 . 0 0 "[ . 1 . 2]" 1
1215 1 60 ILE HA 1 63 LEU MD2 . . 5.440 4.824 4.636 5.013 . 0 0 "[ . 1 . 2]" 1
1216 1 15 ILE MG 1 34 LEU MD1 . . 3.010 2.041 1.943 2.204 . 0 0 "[ . 1 . 2]" 1
1217 1 23 HIS H 1 69 LEU QD . . 4.940 4.221 3.851 4.744 . 0 0 "[ . 1 . 2]" 1
1218 1 6 VAL H 1 6 VAL MG2 . . 3.800 2.686 2.376 2.858 . 0 0 "[ . 1 . 2]" 1
1219 1 6 VAL MG2 1 45 PHE QE . . 3.430 2.279 2.039 2.550 . 0 0 "[ . 1 . 2]" 1
1220 1 6 VAL HA 1 6 VAL MG2 . . 3.230 2.411 2.272 2.503 . 0 0 "[ . 1 . 2]" 1
1221 1 8 VAL MG1 1 76 VAL MG2 . . 3.370 2.076 1.980 2.620 . 0 0 "[ . 1 . 2]" 1
1222 1 16 THR MG 1 18 VAL QG . . 3.430 3.223 2.387 3.485 0.055 16 0 "[ . 1 . 2]" 1
1223 1 8 VAL MG1 1 24 PHE QE . . 4.230 3.071 2.537 3.598 . 0 0 "[ . 1 . 2]" 1
1224 1 8 VAL MG1 1 9 GLY H . . 3.730 2.739 2.524 3.157 . 0 0 "[ . 1 . 2]" 1
1225 1 8 VAL HA 1 8 VAL MG1 . . 3.540 2.372 2.249 2.551 . 0 0 "[ . 1 . 2]" 1
1226 1 8 VAL MG1 1 11 LEU MD2 . . 4.300 3.216 2.244 3.571 . 0 0 "[ . 1 . 2]" 1
1227 1 6 VAL MG1 1 7 PHE H . . 3.910 2.726 2.347 3.150 . 0 0 "[ . 1 . 2]" 1
1228 1 6 VAL MG1 1 45 PHE QE . . 4.450 3.664 3.120 3.956 . 0 0 "[ . 1 . 2]" 1
1229 1 6 VAL MG1 1 76 VAL HA . . 4.410 3.699 3.322 4.182 . 0 0 "[ . 1 . 2]" 1
1230 1 6 VAL HA 1 6 VAL MG1 . . 3.500 2.441 2.358 2.674 . 0 0 "[ . 1 . 2]" 1
1231 1 6 VAL MG1 1 7 PHE HB3 . . 4.910 4.400 4.123 4.741 . 0 0 "[ . 1 . 2]" 1
1232 1 76 VAL MG2 1 77 GLU H . . 4.700 4.041 3.644 4.347 . 0 0 "[ . 1 . 2]" 1
1233 1 9 GLY H 1 76 VAL MG2 . . 5.500 4.261 3.853 4.531 . 0 0 "[ . 1 . 2]" 1
1234 1 24 PHE QE 1 76 VAL MG2 . . 4.040 3.263 2.871 3.830 . 0 0 "[ . 1 . 2]" 1
1235 1 24 PHE HZ 1 76 VAL MG2 . . 3.750 2.850 2.384 3.356 . 0 0 "[ . 1 . 2]" 1
1236 1 76 VAL HA 1 76 VAL MG2 . . 3.630 2.442 2.254 2.558 . 0 0 "[ . 1 . 2]" 1
1237 1 8 VAL HA 1 76 VAL MG2 . . 4.370 3.164 2.624 3.514 . 0 0 "[ . 1 . 2]" 1
1238 1 8 VAL MG2 1 76 VAL MG2 . . 3.550 2.275 2.087 2.575 . 0 0 "[ . 1 . 2]" 1
1239 1 76 VAL H 1 76 VAL MG2 . . 4.200 3.077 2.949 3.466 . 0 0 "[ . 1 . 2]" 1
1240 1 18 VAL H 1 18 VAL QG . . 3.600 1.970 1.825 2.154 . 0 0 "[ . 1 . 2]" 1
1241 1 6 VAL MG1 1 76 VAL MG2 . . 5.440 3.349 2.538 3.841 . 0 0 "[ . 1 . 2]" 1
1242 1 8 VAL MG2 1 9 GLY H . . 4.410 4.361 4.169 4.467 0.057 9 0 "[ . 1 . 2]" 1
1243 1 8 VAL MG2 1 76 VAL HA . . 4.330 3.050 2.639 3.433 . 0 0 "[ . 1 . 2]" 1
1244 1 7 PHE HA 1 8 VAL MG2 . . 4.830 3.603 3.362 3.946 . 0 0 "[ . 1 . 2]" 1
1245 1 8 VAL MG2 1 11 LEU MD2 . . 4.540 4.468 4.063 4.652 0.112 1 0 "[ . 1 . 2]" 1
1246 1 8 VAL MG2 1 43 LEU MD2 . . 4.320 3.624 3.308 3.885 . 0 0 "[ . 1 . 2]" 1
1247 1 42 PHE QE 1 79 THR MG . . 4.660 3.809 2.484 4.748 0.088 2 0 "[ . 1 . 2]" 1
1248 1 7 PHE HB3 1 79 THR MG . . 3.970 3.301 2.735 4.044 0.074 12 0 "[ . 1 . 2]" 1
1249 1 16 THR HA 1 16 THR MG . . 3.300 2.252 2.161 2.436 . 0 0 "[ . 1 . 2]" 1
1250 1 18 VAL QG 1 22 ASN QB . . 4.750 3.304 3.030 3.730 . 0 0 "[ . 1 . 2]" 1
1251 1 79 THR MG 1 80 VAL QG . . 3.890 3.542 2.253 3.921 0.031 16 0 "[ . 1 . 2]" 1
1252 1 15 ILE MG 1 70 LYS QE . . 5.500 4.426 4.296 4.650 . 0 0 "[ . 1 . 2]" 1
1253 1 12 PRO HD2 1 15 ILE MG . . 4.560 3.841 3.635 4.117 . 0 0 "[ . 1 . 2]" 1
1254 1 15 ILE MG 1 34 LEU HG . . 3.620 2.487 2.233 2.777 . 0 0 "[ . 1 . 2]" 1
1255 1 15 ILE HG12 1 15 ILE MG . . 3.430 2.302 2.240 2.358 . 0 0 "[ . 1 . 2]" 1
1256 1 11 LEU MD2 1 15 ILE MG . . 4.170 2.910 2.654 3.161 . 0 0 "[ . 1 . 2]" 1
1257 1 47 ALA H 1 47 ALA MB . . 3.330 2.244 2.208 2.307 . 0 0 "[ . 1 . 2]" 1
1258 1 4 PHE QD 1 47 ALA MB . . 3.540 2.515 2.151 3.260 . 0 0 "[ . 1 . 2]" 1
1259 1 3 ARG HA 1 47 ALA MB . . 4.610 3.273 2.360 4.338 . 0 0 "[ . 1 . 2]" 1
1260 1 46 ASP HA 1 47 ALA MB . . 4.210 3.972 3.852 4.081 . 0 0 "[ . 1 . 2]" 1
1261 1 47 ALA MB 1 54 ILE MD . . 3.760 3.034 2.588 3.439 . 0 0 "[ . 1 . 2]" 1
1262 1 5 ILE MG 1 6 VAL H . . 3.660 2.379 2.179 2.692 . 0 0 "[ . 1 . 2]" 1
1263 1 5 ILE MG 1 7 PHE HA . . 5.040 3.898 3.562 4.175 . 0 0 "[ . 1 . 2]" 1
1264 1 5 ILE MG 1 6 VAL HA . . 4.870 3.883 3.664 4.041 . 0 0 "[ . 1 . 2]" 1
1265 1 5 ILE MG 1 42 PHE QE . . 4.620 4.158 3.726 4.512 . 0 0 "[ . 1 . 2]" 1
1266 1 5 ILE HA 1 5 ILE MG . . 3.360 2.460 2.342 2.585 . 0 0 "[ . 1 . 2]" 1
1267 1 5 ILE MG 1 79 THR HB . . 4.570 3.952 2.545 4.650 0.080 1 0 "[ . 1 . 2]" 1
1268 1 5 ILE MG 1 42 PHE HB3 . . 3.780 2.663 2.363 2.824 . 0 0 "[ . 1 . 2]" 1
1269 1 5 ILE MG 1 6 VAL HB . . 4.800 4.290 3.995 4.540 . 0 0 "[ . 1 . 2]" 1
1270 1 5 ILE MG 1 79 THR MG . . 3.930 3.023 2.031 4.031 0.101 6 0 "[ . 1 . 2]" 1
1271 1 36 ALA MB 1 37 ASP QB . . 4.920 4.602 4.214 4.711 . 0 0 "[ . 1 . 2]" 1
1272 1 68 LEU HA 1 74 ILE MG . . 5.420 4.174 3.833 4.578 . 0 0 "[ . 1 . 2]" 1
1273 1 11 LEU HA 1 74 ILE MG . . 4.100 2.152 1.997 2.763 . 0 0 "[ . 1 . 2]" 1
1274 1 40 ILE MG 1 41 ALA H . . 4.010 3.352 3.108 3.838 . 0 0 "[ . 1 . 2]" 1
1275 1 7 PHE QE 1 40 ILE MG . . 3.690 2.728 2.001 3.491 . 0 0 "[ . 1 . 2]" 1
1276 1 38 LYS HB3 1 40 ILE MG . . 4.660 3.241 2.483 3.758 . 0 0 "[ . 1 . 2]" 1
1277 1 10 SER H 1 40 ILE MG . . 4.440 2.923 2.797 3.073 . 0 0 "[ . 1 . 2]" 1
1278 1 39 GLY HA2 1 40 ILE MG . . 4.840 4.668 4.345 4.882 0.042 6 0 "[ . 1 . 2]" 1
1279 1 47 ALA MB 1 54 ILE MG . . 3.540 2.388 2.163 2.704 . 0 0 "[ . 1 . 2]" 1
1280 1 54 ILE HG12 1 54 ILE MG . . 3.420 2.260 2.103 2.340 . 0 0 "[ . 1 . 2]" 1
1281 1 54 ILE MG 1 55 GLN QB . . 4.150 3.079 2.837 3.522 . 0 0 "[ . 1 . 2]" 1
1282 1 16 THR HA 1 17 ALA MB . . 4.290 4.034 3.921 4.130 . 0 0 "[ . 1 . 2]" 1
1283 1 16 THR HB 1 17 ALA MB . . 4.400 4.272 3.960 4.493 0.093 13 0 "[ . 1 . 2]" 1
1284 1 24 PHE QE 1 61 ALA MB . . 4.140 2.645 2.292 3.284 . 0 0 "[ . 1 . 2]" 1
1285 1 45 PHE QE 1 61 ALA MB . . 4.110 3.169 2.980 3.393 . 0 0 "[ . 1 . 2]" 1
1286 1 24 PHE HB3 1 61 ALA MB . . 5.030 4.319 3.755 4.846 . 0 0 "[ . 1 . 2]" 1
1287 1 58 MET HA 1 61 ALA MB . . 3.630 2.512 2.186 2.718 . 0 0 "[ . 1 . 2]" 1
1288 1 61 ALA MB 1 62 LEU HG . . 3.640 3.548 3.334 3.698 0.058 8 0 "[ . 1 . 2]" 1
1289 1 32 ILE MG 1 43 LEU MD1 . . 5.440 3.546 2.433 4.260 . 0 0 "[ . 1 . 2]" 1
1290 1 32 ILE MG 1 33 ARG H . . 4.050 2.961 2.535 3.349 . 0 0 "[ . 1 . 2]" 1
1291 1 32 ILE H 1 32 ILE MG . . 4.500 3.904 3.782 4.023 . 0 0 "[ . 1 . 2]" 1
1292 1 32 ILE HA 1 32 ILE MG . . 3.660 2.505 2.368 2.687 . 0 0 "[ . 1 . 2]" 1
1293 1 21 GLN HA 1 32 ILE MG . . 5.500 4.307 3.875 4.851 . 0 0 "[ . 1 . 2]" 1
1294 1 32 ILE MG 1 34 LEU HB2 . . 4.360 3.517 3.238 3.901 . 0 0 "[ . 1 . 2]" 1
1295 1 32 ILE MG 1 43 LEU MD2 . . 4.100 3.117 2.571 3.746 . 0 0 "[ . 1 . 2]" 1
1296 1 58 MET H 1 58 MET ME . . 4.860 3.923 3.777 4.134 . 0 0 "[ . 1 . 2]" 1
1297 1 4 PHE QD 1 58 MET ME . . 3.670 2.674 2.137 3.023 . 0 0 "[ . 1 . 2]" 1
1298 1 55 GLN QE 1 58 MET ME . . 5.500 5.041 4.026 5.372 . 0 0 "[ . 1 . 2]" 1
1299 1 55 GLN HA 1 58 MET ME . . 3.680 3.017 2.507 3.707 0.027 11 0 "[ . 1 . 2]" 1
1300 1 4 PHE QB 1 58 MET ME . . 3.380 2.519 2.262 2.878 . 0 0 "[ . 1 . 2]" 1
1301 1 58 MET ME 1 58 MET HG3 . . 3.480 2.351 2.142 2.941 . 0 0 "[ . 1 . 2]" 1
1302 1 58 MET HB2 1 58 MET ME . . 3.050 2.688 2.317 3.128 0.078 20 0 "[ . 1 . 2]" 1
1303 1 54 ILE MD 1 58 MET ME . . 3.010 2.854 2.450 3.133 0.123 20 0 "[ . 1 . 2]" 1
1304 1 5 ILE H 1 58 MET ME . . 5.130 5.212 5.174 5.227 0.097 4 0 "[ . 1 . 2]" 1
1305 1 15 ILE H 1 15 ILE MD . . 4.700 4.097 4.006 4.286 . 0 0 "[ . 1 . 2]" 1
1306 1 11 LEU HA 1 15 ILE MD . . 4.490 4.022 3.837 4.306 . 0 0 "[ . 1 . 2]" 1
1307 1 12 PRO HD3 1 15 ILE MD . . 5.260 3.550 3.418 3.654 . 0 0 "[ . 1 . 2]" 1
1308 1 15 ILE MD 1 70 LYS QE . . 4.670 2.263 1.994 2.836 . 0 0 "[ . 1 . 2]" 1
1309 1 12 PRO HG3 1 15 ILE MD . . 4.820 3.345 3.021 3.641 . 0 0 "[ . 1 . 2]" 1
1310 1 12 PRO HG2 1 15 ILE MD . . 3.260 2.567 2.238 2.748 . 0 0 "[ . 1 . 2]" 1
1311 1 15 ILE MD 1 34 LEU HG . . 4.250 4.338 4.322 4.349 0.099 15 0 "[ . 1 . 2]" 1
1312 1 11 LEU HB3 1 15 ILE MD . . 3.370 3.285 3.099 3.428 0.058 1 0 "[ . 1 . 2]" 1
1313 1 16 THR H 1 16 THR HB . . 4.170 3.514 2.843 3.752 . 0 0 "[ . 1 . 2]" 1
1314 1 16 THR HA 1 16 THR HB . . 3.020 2.642 2.432 2.989 . 0 0 "[ . 1 . 2]" 1
1315 1 67 THR HB 1 68 LEU H . . 3.160 2.793 2.377 3.217 0.057 9 0 "[ . 1 . 2]" 1
1316 1 24 PHE QE 1 74 ILE MD . . 4.300 3.988 3.661 4.309 0.009 17 0 "[ . 1 . 2]" 1
1317 1 24 PHE HZ 1 74 ILE MD . . 4.010 3.710 3.053 4.076 0.066 9 0 "[ . 1 . 2]" 1
1318 1 74 ILE HA 1 74 ILE MD . . 4.660 4.094 3.712 4.211 . 0 0 "[ . 1 . 2]" 1
1319 1 74 ILE HB 1 74 ILE MD . . 3.570 2.376 2.187 2.550 . 0 0 "[ . 1 . 2]" 1
1320 1 74 ILE MD 1 76 VAL MG2 . . 3.840 3.117 2.039 3.751 . 0 0 "[ . 1 . 2]" 1
1321 1 11 LEU MD1 1 74 ILE MD . . 3.540 2.837 2.059 3.552 0.012 8 0 "[ . 1 . 2]" 1
1322 1 47 ALA H 1 54 ILE MD . . 4.510 3.443 3.177 3.877 . 0 0 "[ . 1 . 2]" 1
1323 1 54 ILE HA 1 54 ILE MD . . 3.840 2.166 2.048 2.318 . 0 0 "[ . 1 . 2]" 1
1324 1 4 PHE QD 1 54 ILE MD . . 3.610 3.078 2.173 3.714 0.104 11 0 "[ . 1 . 2]" 1
1325 1 59 ASP HB2 1 60 ILE MD . . 4.550 4.465 3.931 4.646 0.096 14 0 "[ . 1 . 2]" 1
1326 1 60 ILE H 1 60 ILE MD . . 4.290 3.240 3.005 3.589 . 0 0 "[ . 1 . 2]" 1
1327 1 27 SER HB2 1 60 ILE MD . . 5.500 4.648 4.143 5.208 . 0 0 "[ . 1 . 2]" 1
1328 1 24 PHE QD 1 32 ILE MD . . 5.500 4.614 3.779 5.255 . 0 0 "[ . 1 . 2]" 1
1329 1 24 PHE HB2 1 32 ILE MD . . 5.500 3.999 3.366 4.443 . 0 0 "[ . 1 . 2]" 1
1330 1 21 GLN QB 1 32 ILE MD . . 3.950 3.640 2.391 4.013 0.063 1 0 "[ . 1 . 2]" 1
1331 1 32 ILE MD 1 43 LEU HG . . 5.110 4.462 3.914 4.973 . 0 0 "[ . 1 . 2]" 1
1332 1 32 ILE MD 1 43 LEU MD1 . . 5.500 4.975 4.312 5.392 . 0 0 "[ . 1 . 2]" 1
1333 1 5 ILE MD 1 42 PHE QE . . 5.500 5.408 4.794 5.593 0.093 18 0 "[ . 1 . 2]" 1
1334 1 5 ILE MD 1 6 VAL H . . 5.500 5.081 4.926 5.276 . 0 0 "[ . 1 . 2]" 1
1335 1 5 ILE H 1 5 ILE MD . . 4.620 3.568 2.629 3.898 . 0 0 "[ . 1 . 2]" 1
1336 1 5 ILE MD 1 42 PHE QD . . 5.210 4.385 3.884 4.748 . 0 0 "[ . 1 . 2]" 1
1337 1 5 ILE MD 1 42 PHE HB3 . . 5.180 4.751 4.102 5.275 0.095 1 0 "[ . 1 . 2]" 1
1338 1 5 ILE MD 1 5 ILE MG . . 3.360 2.356 2.130 3.019 . 0 0 "[ . 1 . 2]" 1
1339 1 65 HIS HB3 1 65 HIS HD2 . . 3.550 2.705 2.534 3.019 . 0 0 "[ . 1 . 2]" 1
1340 1 23 HIS HB3 1 24 PHE QD . . 4.010 3.403 2.677 3.935 . 0 0 "[ . 1 . 2]" 1
1341 1 24 PHE QD 1 61 ALA MB . . 3.750 2.785 2.567 3.195 . 0 0 "[ . 1 . 2]" 1
1342 1 24 PHE QD 1 43 LEU MD1 . . 4.540 3.627 3.318 3.867 . 0 0 "[ . 1 . 2]" 1
1343 1 6 VAL MG2 1 45 PHE QD . . 4.080 2.692 2.328 2.931 . 0 0 "[ . 1 . 2]" 1
1344 1 24 PHE HA 1 24 PHE QD . . 3.880 2.591 2.417 2.805 . 0 0 "[ . 1 . 2]" 1
1345 1 23 HIS HD2 1 64 GLN HB3 . . 4.230 3.152 2.209 4.286 0.056 19 0 "[ . 1 . 2]" 1
1346 1 23 HIS HB3 1 23 HIS HD2 . . 3.840 2.733 2.558 3.205 . 0 0 "[ . 1 . 2]" 1
1347 1 5 ILE MG 1 42 PHE QD . . 3.480 2.487 2.157 2.805 . 0 0 "[ . 1 . 2]" 1
1348 1 8 VAL MG2 1 24 PHE QE . . 4.200 2.975 2.731 3.208 . 0 0 "[ . 1 . 2]" 1
1349 1 7 PHE HZ 1 40 ILE MG . . 3.770 2.407 2.048 3.410 . 0 0 "[ . 1 . 2]" 1
1350 1 8 VAL MG1 1 24 PHE HZ . . 4.800 2.607 2.253 3.064 . 0 0 "[ . 1 . 2]" 1
1351 1 8 VAL MG2 1 24 PHE HZ . . 4.110 2.310 2.172 2.484 . 0 0 "[ . 1 . 2]" 1
1352 1 6 VAL MG2 1 45 PHE HZ . . 4.350 3.395 2.957 3.817 . 0 0 "[ . 1 . 2]" 1
1353 1 43 LEU HB2 1 45 PHE HZ . . 4.530 4.161 3.819 4.581 0.051 2 0 "[ . 1 . 2]" 1
1354 1 27 SER HB3 1 45 PHE HZ . . 4.630 4.404 3.971 4.804 0.174 11 0 "[ . 1 . 2]" 1
1355 1 45 PHE HZ 1 61 ALA MB . . 3.740 2.533 2.246 2.941 . 0 0 "[ . 1 . 2]" 1
1356 1 23 HIS HE1 1 69 LEU HA . . 3.980 3.897 3.468 4.045 0.065 20 0 "[ . 1 . 2]" 1
1357 1 23 HIS HE1 1 69 LEU QD . . 4.850 2.863 2.470 3.311 . 0 0 "[ . 1 . 2]" 1
1358 1 65 HIS HE1 1 75 ASN HA . . 3.950 3.084 2.872 3.252 . 0 0 "[ . 1 . 2]" 1
1359 1 65 HIS HE1 1 75 ASN HB3 . . 3.870 2.859 2.500 3.227 . 0 0 "[ . 1 . 2]" 1
1360 1 65 HIS HE1 1 76 VAL H . . 3.550 3.131 2.846 3.385 . 0 0 "[ . 1 . 2]" 1
1361 1 65 HIS HE1 1 75 ASN HB2 . . 3.920 2.512 2.201 2.791 . 0 0 "[ . 1 . 2]" 1
1362 1 23 HIS HB2 1 23 HIS HE1 . . 4.810 4.838 4.785 4.872 0.062 5 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 73.810
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0772
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0461
_Distance_constraint_stats_list.Viol_average_violations_only 0.0820
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 65 HIS 3.691 0.331 17 0 "[ . 1 . 2]"
1 76 VAL 3.691 0.331 17 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 65 HIS HE2 1 76 VAL N . . 5.800 5.454 4.352 6.058 0.258 17 0 "[ . 1 . 2]" 2
2 1 65 HIS HD2 1 76 VAL N . . 5.800 5.562 4.653 6.131 0.331 17 0 "[ . 1 . 2]" 2
3 1 65 HIS ND1 1 76 VAL H . . 2.000 2.039 1.939 2.073 0.073 20 0 "[ . 1 . 2]" 2
4 1 65 HIS ND1 1 76 VAL N . . 3.000 3.004 2.915 3.040 0.040 13 0 "[ . 1 . 2]" 2
stop_
save_
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