NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624735 |
5y70   |
36112 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5y70
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 535
_Distance_constraint_stats_list.Viol_count 1526
_Distance_constraint_stats_list.Viol_total 2532.675
_Distance_constraint_stats_list.Viol_max 0.617
_Distance_constraint_stats_list.Viol_rms 0.0590
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0210
_Distance_constraint_stats_list.Viol_average_violations_only 0.1106
_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 ALA 0.138 0.091 7 0 "[ . 1 .]"
1 3 THR 11.753 0.493 15 0 "[ . 1 .]"
1 4 THR 0.253 0.091 7 0 "[ . 1 .]"
1 5 TYR 10.554 0.435 12 0 "[ . 1 .]"
1 6 GLU 10.038 0.493 15 0 "[ . 1 .]"
1 7 GLU 11.499 0.435 12 0 "[ . 1 .]"
1 8 PHE 6.312 0.440 14 0 "[ . 1 .]"
1 9 ALA 9.072 0.440 14 0 "[ . 1 .]"
1 10 ALA 4.420 0.440 14 0 "[ . 1 .]"
1 11 LYS 2.999 0.284 11 0 "[ . 1 .]"
1 12 LEU 4.441 0.221 4 0 "[ . 1 .]"
1 13 ASP 1.568 0.221 4 0 "[ . 1 .]"
1 14 ARG 3.619 0.294 10 0 "[ . 1 .]"
1 15 LEU 4.759 0.296 10 0 "[ . 1 .]"
1 16 ASP 7.111 0.393 11 0 "[ . 1 .]"
1 17 ALA 3.396 0.296 10 0 "[ . 1 .]"
1 18 GLU 1.451 0.287 8 0 "[ . 1 .]"
1 19 PHE 6.639 0.312 9 0 "[ . 1 .]"
1 20 ALA 6.352 0.340 9 0 "[ . 1 .]"
1 21 LYS 4.190 0.340 9 0 "[ . 1 .]"
1 22 LYS 0.397 0.139 3 0 "[ . 1 .]"
1 23 MET 0.536 0.137 9 0 "[ . 1 .]"
1 24 GLU 3.166 0.152 6 0 "[ . 1 .]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 26 GLN 1.113 0.189 5 0 "[ . 1 .]"
1 27 ASN 0.806 0.106 6 0 "[ . 1 .]"
1 28 LYS 2.367 0.189 5 0 "[ . 1 .]"
1 29 ARG 0.008 0.008 5 0 "[ . 1 .]"
1 30 PHE 5.467 0.280 11 0 "[ . 1 .]"
1 31 PHE 1.248 0.085 2 0 "[ . 1 .]"
1 32 ALA 0.405 0.095 5 0 "[ . 1 .]"
1 33 ASP 2.604 0.280 11 0 "[ . 1 .]"
1 34 LYS 0.044 0.044 2 0 "[ . 1 .]"
1 35 PRO 0.635 0.319 7 0 "[ . 1 .]"
1 36 ASP 2.682 0.319 7 0 "[ . 1 .]"
1 37 GLU 1.360 0.157 13 0 "[ . 1 .]"
1 38 ALA 2.730 0.201 12 0 "[ . 1 .]"
1 39 THR 6.386 0.511 12 1 "[ . 1 + .]"
1 40 LEU 5.061 0.511 12 1 "[ . 1 + .]"
1 41 SER 12.069 0.391 13 0 "[ . 1 .]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 43 GLU 11.475 0.301 10 0 "[ . 1 .]"
1 44 MET 2.467 0.141 11 0 "[ . 1 .]"
1 45 LYS 3.308 0.279 11 0 "[ . 1 .]"
1 46 GLU 1.664 0.279 11 0 "[ . 1 .]"
1 47 HIS 2.682 0.247 10 0 "[ . 1 .]"
1 48 TYR 8.053 0.204 5 0 "[ . 1 .]"
1 49 GLU 0.394 0.254 15 0 "[ . 1 .]"
1 50 LYS 4.937 0.254 15 0 "[ . 1 .]"
1 51 PHE 11.564 0.371 9 0 "[ . 1 .]"
1 52 GLU 9.897 0.354 8 0 "[ . 1 .]"
1 53 LYS 3.663 0.345 8 0 "[ . 1 .]"
1 54 MET 2.221 0.371 9 0 "[ . 1 .]"
1 55 ILE 5.135 0.485 14 0 "[ . 1 .]"
1 56 GLN 7.913 0.617 8 1 "[ . + 1 .]"
1 57 GLU 0.731 0.409 12 0 "[ . 1 .]"
1 58 HIS 10.797 0.617 8 1 "[ . + 1 .]"
1 59 THR 2.364 0.187 11 0 "[ . 1 .]"
1 60 ASP 0.731 0.409 12 0 "[ . 1 .]"
1 61 LYS 2.124 0.172 8 0 "[ . 1 .]"
1 62 PHE 9.580 0.398 11 0 "[ . 1 .]"
1 63 ASN 8.030 0.393 11 0 "[ . 1 .]"
1 64 LYS 2.755 0.163 8 0 "[ . 1 .]"
1 65 LYS 6.652 0.343 12 0 "[ . 1 .]"
1 66 MET 3.759 0.279 12 0 "[ . 1 .]"
1 67 ARG 3.163 0.343 12 0 "[ . 1 .]"
1 68 GLU 2.488 0.274 9 0 "[ . 1 .]"
1 69 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 70 SER 0.288 0.043 8 0 "[ . 1 .]"
1 71 GLU 1.257 0.113 3 0 "[ . 1 .]"
1 72 HIS 0.186 0.048 7 0 "[ . 1 .]"
1 73 PHE 2.802 0.217 13 0 "[ . 1 .]"
1 74 LYS 0.248 0.048 7 0 "[ . 1 .]"
1 75 ALA 5.008 0.240 6 0 "[ . 1 .]"
1 76 LYS 1.178 0.200 14 0 "[ . 1 .]"
1 77 PHE 10.933 0.437 14 0 "[ . 1 .]"
1 78 ALA 7.831 0.334 4 0 "[ . 1 .]"
1 79 GLU 5.826 0.304 7 0 "[ . 1 .]"
1 80 LEU 5.292 0.437 14 0 "[ . 1 .]"
1 81 LEU 3.441 0.334 4 0 "[ . 1 .]"
1 82 GLU 1.261 0.177 15 0 "[ . 1 .]"
1 83 GLN 1.318 0.130 1 0 "[ . 1 .]"
1 84 GLN 0.514 0.130 1 0 "[ . 1 .]"
1 85 LYS 1.649 0.223 4 0 "[ . 1 .]"
1 86 ASN 0.199 0.083 7 0 "[ . 1 .]"
1 87 ALA 0.159 0.037 6 0 "[ . 1 .]"
1 88 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 89 PHE 0.105 0.037 6 0 "[ . 1 .]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 .]"
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 2 ALA HA 1 4 THR H . . 4.730 4.609 3.989 4.821 0.091 7 0 "[ . 1 .]" 1
2 1 3 THR H 1 4 THR H . . 5.200 2.994 2.763 3.107 . 0 0 "[ . 1 .]" 1
3 1 3 THR H 1 6 GLU HB2 . . 4.990 5.006 4.892 5.104 0.114 11 0 "[ . 1 .]" 1
4 1 3 THR HA 1 4 THR H . . 3.750 3.566 3.536 3.571 . 0 0 "[ . 1 .]" 1
5 1 3 THR HA 1 5 TYR H . . 4.280 4.381 3.628 4.559 0.279 9 0 "[ . 1 .]" 1
6 1 3 THR HA 1 6 GLU H . . 4.330 3.957 3.061 4.637 0.307 13 0 "[ . 1 .]" 1
7 1 3 THR HB 1 85 LYS H . . 6.330 6.426 6.345 6.553 0.223 4 0 "[ . 1 .]" 1
8 1 3 THR HG1 1 5 TYR H . . 5.150 3.959 3.425 5.532 0.382 11 0 "[ . 1 .]" 1
9 1 3 THR HG1 1 6 GLU H . . 4.780 5.129 5.005 5.273 0.493 15 0 "[ . 1 .]" 1
10 1 4 THR H 1 5 TYR H . . 5.040 2.549 2.238 2.964 . 0 0 "[ . 1 .]" 1
11 1 4 THR HA 1 5 TYR H . . 3.720 3.475 3.425 3.555 . 0 0 "[ . 1 .]" 1
12 1 4 THR HA 1 7 GLU H . . 4.080 3.657 3.473 4.055 . 0 0 "[ . 1 .]" 1
13 1 4 THR HG1 1 5 TYR H . . 4.090 3.618 2.377 4.133 0.043 5 0 "[ . 1 .]" 1
14 1 5 TYR H 1 6 GLU H . . 4.240 2.541 2.328 2.644 . 0 0 "[ . 1 .]" 1
15 1 5 TYR H 1 6 GLU HA . . 5.440 5.163 4.995 5.245 . 0 0 "[ . 1 .]" 1
16 1 5 TYR H 1 6 GLU HB2 . . 5.590 4.714 4.140 4.886 . 0 0 "[ . 1 .]" 1
17 1 5 TYR H 1 6 GLU HB3 . . 5.370 4.972 4.521 5.367 . 0 0 "[ . 1 .]" 1
18 1 5 TYR H 1 7 GLU H . . 4.510 3.698 3.568 3.875 . 0 0 "[ . 1 .]" 1
19 1 5 TYR HA 1 6 GLU H . . 3.760 3.548 3.507 3.567 . 0 0 "[ . 1 .]" 1
20 1 5 TYR HA 1 7 GLU H . . 3.920 3.895 3.745 3.984 0.064 9 0 "[ . 1 .]" 1
21 1 5 TYR HA 1 8 PHE H . . 3.210 3.346 3.168 3.591 0.381 14 0 "[ . 1 .]" 1
22 1 5 TYR HA 1 9 ALA H . . 3.720 3.678 3.487 3.840 0.120 10 0 "[ . 1 .]" 1
23 1 5 TYR HB2 1 6 GLU H . . 3.730 2.541 2.372 2.780 . 0 0 "[ . 1 .]" 1
24 1 5 TYR HB2 1 7 GLU H . . 4.400 4.680 4.549 4.835 0.435 12 0 "[ . 1 .]" 1
25 1 5 TYR QD 1 6 GLU H . . 4.310 4.192 3.630 4.419 0.109 9 0 "[ . 1 .]" 1
26 1 5 TYR QD 1 44 MET H . . 5.210 5.096 4.533 5.351 0.141 11 0 "[ . 1 .]" 1
27 1 6 GLU H 1 7 GLU H . . 3.940 2.588 2.522 2.649 . 0 0 "[ . 1 .]" 1
28 1 6 GLU H 1 7 GLU HA . . 5.140 5.196 5.138 5.261 0.121 11 0 "[ . 1 .]" 1
29 1 6 GLU H 1 8 PHE H . . 4.580 4.241 4.136 4.393 . 0 0 "[ . 1 .]" 1
30 1 6 GLU HA 1 7 GLU H . . 4.140 3.426 3.402 3.444 . 0 0 "[ . 1 .]" 1
31 1 6 GLU HA 1 8 PHE H . . 4.430 4.518 4.455 4.626 0.196 10 0 "[ . 1 .]" 1
32 1 6 GLU HA 1 9 ALA H . . 4.000 3.767 3.668 3.937 . 0 0 "[ . 1 .]" 1
33 1 7 GLU H 1 9 ALA H . . 4.420 3.792 3.701 3.944 . 0 0 "[ . 1 .]" 1
34 1 7 GLU H 1 9 ALA MB . . 4.410 4.540 4.460 4.699 0.289 10 0 "[ . 1 .]" 1
35 1 7 GLU H 1 10 ALA MB . . 4.640 4.749 4.616 4.923 0.283 11 0 "[ . 1 .]" 1
36 1 7 GLU HA 1 8 PHE H . . 3.670 3.524 3.517 3.540 . 0 0 "[ . 1 .]" 1
37 1 7 GLU HA 1 9 ALA H . . 4.490 4.588 4.531 4.700 0.210 14 0 "[ . 1 .]" 1
38 1 7 GLU HA 1 10 ALA H . . 3.840 3.772 3.485 3.973 0.133 14 0 "[ . 1 .]" 1
39 1 7 GLU HB2 1 8 PHE H . . 3.690 3.698 3.610 3.769 0.079 14 0 "[ . 1 .]" 1
40 1 7 GLU HB3 1 8 PHE H . . 3.580 2.679 2.543 2.733 . 0 0 "[ . 1 .]" 1
41 1 7 GLU HB3 1 9 ALA H . . 5.010 5.021 4.872 5.102 0.092 10 0 "[ . 1 .]" 1
42 1 7 GLU HG2 1 8 PHE H . . 4.410 4.377 4.074 4.456 0.046 10 0 "[ . 1 .]" 1
43 1 7 GLU HG3 1 8 PHE H . . 5.290 4.846 4.326 5.172 . 0 0 "[ . 1 .]" 1
44 1 8 PHE H 1 9 ALA H . . 3.550 2.480 2.408 2.690 . 0 0 "[ . 1 .]" 1
45 1 8 PHE H 1 9 ALA HA . . 5.390 5.119 5.056 5.297 . 0 0 "[ . 1 .]" 1
46 1 8 PHE H 1 9 ALA MB . . 4.820 4.111 4.027 4.273 . 0 0 "[ . 1 .]" 1
47 1 8 PHE H 1 10 ALA H . . 4.460 3.836 3.777 3.900 . 0 0 "[ . 1 .]" 1
48 1 8 PHE H 1 10 ALA MB . . 4.840 4.667 4.634 4.721 . 0 0 "[ . 1 .]" 1
49 1 8 PHE H 1 11 LYS H . . 5.270 4.827 4.566 5.154 . 0 0 "[ . 1 .]" 1
50 1 8 PHE HA 1 9 ALA H . . 3.770 3.529 3.521 3.547 . 0 0 "[ . 1 .]" 1
51 1 8 PHE HA 1 11 LYS H . . 3.840 3.228 3.164 3.341 . 0 0 "[ . 1 .]" 1
52 1 8 PHE HA 1 12 LEU H . . 5.330 3.878 3.743 4.016 . 0 0 "[ . 1 .]" 1
53 1 8 PHE HB2 1 9 ALA H . . 3.620 2.954 2.540 4.060 0.440 14 0 "[ . 1 .]" 1
54 1 8 PHE HB2 1 10 ALA H . . 4.840 4.949 4.686 5.280 0.440 14 0 "[ . 1 .]" 1
55 1 8 PHE HB3 1 9 ALA H . . 3.670 3.341 2.841 3.824 0.154 7 0 "[ . 1 .]" 1
56 1 8 PHE QD 1 9 ALA H . . 5.450 4.392 3.102 4.613 . 0 0 "[ . 1 .]" 1
57 1 8 PHE QD 1 10 ALA H . . 5.950 5.389 4.673 5.726 . 0 0 "[ . 1 .]" 1
58 1 8 PHE QD 1 11 LYS H . . 6.070 5.121 4.588 5.482 . 0 0 "[ . 1 .]" 1
59 1 9 ALA H 1 10 ALA H . . 3.610 2.617 2.568 2.675 . 0 0 "[ . 1 .]" 1
60 1 9 ALA H 1 10 ALA MB . . 4.970 4.193 4.162 4.247 . 0 0 "[ . 1 .]" 1
61 1 9 ALA H 1 11 LYS H . . 5.040 4.202 4.064 4.453 . 0 0 "[ . 1 .]" 1
62 1 9 ALA H 1 12 LEU H . . 4.830 4.688 4.637 4.722 . 0 0 "[ . 1 .]" 1
63 1 9 ALA H 1 48 TYR QD . . 6.100 6.212 6.150 6.278 0.178 11 0 "[ . 1 .]" 1
64 1 9 ALA HA 1 10 ALA H . . 3.960 3.425 3.391 3.455 . 0 0 "[ . 1 .]" 1
65 1 9 ALA HA 1 11 LYS H . . 4.490 4.329 4.263 4.415 . 0 0 "[ . 1 .]" 1
66 1 9 ALA HA 1 12 LEU H . . 4.130 3.522 3.331 3.606 . 0 0 "[ . 1 .]" 1
67 1 9 ALA HA 1 13 ASP H . . 5.700 3.950 3.615 4.473 . 0 0 "[ . 1 .]" 1
68 1 9 ALA MB 1 10 ALA H . . 3.310 3.011 2.954 3.088 . 0 0 "[ . 1 .]" 1
69 1 9 ALA MB 1 11 LYS H . . 4.500 4.676 4.592 4.784 0.284 11 0 "[ . 1 .]" 1
70 1 9 ALA MB 1 12 LEU H . . 5.150 4.715 4.575 4.795 . 0 0 "[ . 1 .]" 1
71 1 9 ALA MB 1 13 ASP H . . 5.440 4.757 4.461 5.193 . 0 0 "[ . 1 .]" 1
72 1 9 ALA MB 1 48 TYR H . . 5.920 4.880 4.268 5.362 . 0 0 "[ . 1 .]" 1
73 1 10 ALA H 1 11 LYS H . . 3.740 2.310 2.247 2.499 . 0 0 "[ . 1 .]" 1
74 1 10 ALA H 1 11 LYS HB2 . . 5.810 4.328 4.111 4.620 . 0 0 "[ . 1 .]" 1
75 1 10 ALA H 1 11 LYS HB3 . . 5.810 5.270 4.777 5.738 . 0 0 "[ . 1 .]" 1
76 1 10 ALA H 1 12 LEU HB2 . . 6.160 4.695 4.513 4.862 . 0 0 "[ . 1 .]" 1
77 1 10 ALA H 1 13 ASP H . . 4.740 4.585 4.425 4.839 0.099 8 0 "[ . 1 .]" 1
78 1 10 ALA HA 1 11 LYS H . . 3.780 3.501 3.480 3.535 . 0 0 "[ . 1 .]" 1
79 1 10 ALA HA 1 12 LEU H . . 4.370 4.355 4.015 4.438 0.068 6 0 "[ . 1 .]" 1
80 1 10 ALA HA 1 13 ASP H . . 4.130 3.759 3.575 3.942 . 0 0 "[ . 1 .]" 1
81 1 10 ALA MB 1 11 LYS H . . 3.970 2.838 2.687 2.912 . 0 0 "[ . 1 .]" 1
82 1 10 ALA MB 1 12 LEU H . . 5.150 4.471 4.335 4.559 . 0 0 "[ . 1 .]" 1
83 1 11 LYS H 1 12 LEU HA . . 5.030 4.946 4.915 4.968 . 0 0 "[ . 1 .]" 1
84 1 11 LYS H 1 13 ASP H . . 4.150 3.816 3.702 4.013 . 0 0 "[ . 1 .]" 1
85 1 11 LYS HA 1 12 LEU H . . 3.750 3.468 3.391 3.492 . 0 0 "[ . 1 .]" 1
86 1 11 LYS HA 1 14 ARG H . . 4.030 3.987 3.622 4.133 0.103 15 0 "[ . 1 .]" 1
87 1 12 LEU H 1 13 ASP H . . 3.710 2.399 2.146 2.614 . 0 0 "[ . 1 .]" 1
88 1 12 LEU H 1 13 ASP HA . . 5.710 5.002 4.798 5.228 . 0 0 "[ . 1 .]" 1
89 1 12 LEU H 1 13 ASP HB2 . . 5.570 4.215 3.960 4.425 . 0 0 "[ . 1 .]" 1
90 1 12 LEU H 1 15 LEU HG . . 4.520 4.441 4.252 4.597 0.077 6 0 "[ . 1 .]" 1
91 1 12 LEU HA 1 13 ASP H . . 3.760 3.469 3.443 3.527 . 0 0 "[ . 1 .]" 1
92 1 12 LEU HA 1 14 ARG H . . 4.700 3.465 3.379 3.618 . 0 0 "[ . 1 .]" 1
93 1 12 LEU HA 1 15 LEU H . . 5.680 3.291 3.135 3.452 . 0 0 "[ . 1 .]" 1
94 1 12 LEU HB2 1 13 ASP H . . 3.720 3.088 2.670 3.195 . 0 0 "[ . 1 .]" 1
95 1 12 LEU HB2 1 14 ARG H . . 4.830 4.983 4.749 5.046 0.216 1 0 "[ . 1 .]" 1
96 1 12 LEU HB3 1 13 ASP H . . 3.480 3.556 3.195 3.701 0.221 4 0 "[ . 1 .]" 1
97 1 12 LEU MD1 1 13 ASP H . . 5.050 4.716 4.451 4.915 . 0 0 "[ . 1 .]" 1
98 1 13 ASP H 1 14 ARG H . . 3.810 2.655 2.621 2.670 . 0 0 "[ . 1 .]" 1
99 1 13 ASP H 1 15 LEU H . . 4.330 4.097 4.062 4.139 . 0 0 "[ . 1 .]" 1
100 1 13 ASP HA 1 14 ARG H . . 3.780 3.387 3.349 3.413 . 0 0 "[ . 1 .]" 1
101 1 13 ASP HA 1 15 LEU H . . 5.890 3.722 3.629 3.820 . 0 0 "[ . 1 .]" 1
102 1 13 ASP HA 1 16 ASP H . . 4.800 3.735 3.589 3.901 . 0 0 "[ . 1 .]" 1
103 1 13 ASP HB2 1 14 ARG H . . 3.830 3.510 3.287 3.759 . 0 0 "[ . 1 .]" 1
104 1 14 ARG H 1 15 LEU H . . 3.630 2.266 2.159 2.356 . 0 0 "[ . 1 .]" 1
105 1 14 ARG H 1 16 ASP H . . 4.800 4.049 3.818 4.354 . 0 0 "[ . 1 .]" 1
106 1 14 ARG HA 1 15 LEU H . . 3.690 3.272 3.265 3.279 . 0 0 "[ . 1 .]" 1
107 1 14 ARG HA 1 16 ASP H . . 4.750 4.804 4.695 5.044 0.294 10 0 "[ . 1 .]" 1
108 1 14 ARG HB2 1 15 LEU H . . 4.030 3.726 3.643 3.821 . 0 0 "[ . 1 .]" 1
109 1 14 ARG HB3 1 15 LEU H . . 4.000 3.892 3.783 4.003 0.003 8 0 "[ . 1 .]" 1
110 1 15 LEU H 1 16 ASP H . . 3.800 2.107 2.012 2.356 . 0 0 "[ . 1 .]" 1
111 1 15 LEU H 1 16 ASP HA . . 5.270 4.326 4.205 4.547 . 0 0 "[ . 1 .]" 1
112 1 15 LEU H 1 16 ASP HB2 . . 4.780 4.779 4.520 4.914 0.134 3 0 "[ . 1 .]" 1
113 1 15 LEU H 1 17 ALA H . . 5.320 4.423 4.323 4.537 . 0 0 "[ . 1 .]" 1
114 1 15 LEU H 1 17 ALA MB . . 5.090 5.290 5.228 5.386 0.296 10 0 "[ . 1 .]" 1
115 1 15 LEU HA 1 16 ASP H . . 3.690 3.544 3.535 3.563 . 0 0 "[ . 1 .]" 1
116 1 15 LEU HB2 1 16 ASP H . . 3.760 2.549 2.359 2.683 . 0 0 "[ . 1 .]" 1
117 1 15 LEU HB2 1 18 GLU H . . 5.130 3.900 3.525 4.321 . 0 0 "[ . 1 .]" 1
118 1 15 LEU MD1 1 16 ASP H . . 5.120 4.308 4.143 4.446 . 0 0 "[ . 1 .]" 1
119 1 15 LEU MD2 1 16 ASP H . . 5.120 4.335 4.252 4.558 . 0 0 "[ . 1 .]" 1
120 1 15 LEU HG 1 16 ASP H . . 5.400 3.612 3.311 4.107 . 0 0 "[ . 1 .]" 1
121 1 15 LEU HG 1 18 GLU H . . 5.970 5.989 5.722 6.071 0.101 11 0 "[ . 1 .]" 1
122 1 16 ASP H 1 17 ALA H . . 4.380 2.776 2.643 2.835 . 0 0 "[ . 1 .]" 1
123 1 16 ASP H 1 17 ALA MB . . 5.170 4.332 4.232 4.395 . 0 0 "[ . 1 .]" 1
124 1 16 ASP H 1 18 GLU H . . 5.580 4.894 4.572 5.017 . 0 0 "[ . 1 .]" 1
125 1 16 ASP H 1 19 PHE H . . 5.620 5.091 4.436 5.415 . 0 0 "[ . 1 .]" 1
126 1 16 ASP H 1 19 PHE HB2 . . 5.960 4.429 3.792 4.917 . 0 0 "[ . 1 .]" 1
127 1 16 ASP H 1 59 THR HG1 . . 5.660 5.355 4.737 5.841 0.181 15 0 "[ . 1 .]" 1
128 1 16 ASP H 1 63 ASN HA . . 6.120 6.327 6.207 6.432 0.312 6 0 "[ . 1 .]" 1
129 1 16 ASP HA 1 17 ALA H . . 4.130 2.893 2.757 3.086 . 0 0 "[ . 1 .]" 1
130 1 16 ASP HA 1 18 GLU H . . 5.250 4.760 4.629 4.965 . 0 0 "[ . 1 .]" 1
131 1 16 ASP HA 1 19 PHE H . . 5.440 4.695 4.310 4.890 . 0 0 "[ . 1 .]" 1
132 1 16 ASP HA 1 20 ALA H . . 5.870 3.019 2.652 3.330 . 0 0 "[ . 1 .]" 1
133 1 16 ASP HA 1 63 ASN H . . 5.720 5.832 5.576 6.113 0.393 11 0 "[ . 1 .]" 1
134 1 16 ASP HB2 1 17 ALA H . . 4.560 4.139 3.966 4.322 . 0 0 "[ . 1 .]" 1
135 1 16 ASP HB3 1 17 ALA H . . 4.500 4.441 4.207 4.530 0.030 10 0 "[ . 1 .]" 1
136 1 17 ALA H 1 18 GLU HB3 . . 5.850 4.749 4.475 5.683 . 0 0 "[ . 1 .]" 1
137 1 17 ALA H 1 19 PHE HB2 . . 5.480 4.475 4.215 4.698 . 0 0 "[ . 1 .]" 1
138 1 17 ALA H 1 20 ALA H . . 5.510 3.675 3.584 3.856 . 0 0 "[ . 1 .]" 1
139 1 17 ALA H 1 63 ASN HA . . 4.880 4.747 4.484 5.052 0.172 6 0 "[ . 1 .]" 1
140 1 17 ALA HA 1 18 GLU H . . 3.940 3.572 3.571 3.574 . 0 0 "[ . 1 .]" 1
141 1 17 ALA MB 1 18 GLU H . . 4.120 2.239 2.126 2.378 . 0 0 "[ . 1 .]" 1
142 1 18 GLU H 1 19 PHE H . . 3.400 2.556 2.450 2.613 . 0 0 "[ . 1 .]" 1
143 1 18 GLU HA 1 20 ALA H . . 4.860 4.288 3.816 4.840 . 0 0 "[ . 1 .]" 1
144 1 18 GLU HA 1 21 LYS H . . 4.620 3.464 3.331 3.689 . 0 0 "[ . 1 .]" 1
145 1 18 GLU HB2 1 19 PHE H . . 4.880 3.661 2.865 3.953 . 0 0 "[ . 1 .]" 1
146 1 18 GLU HB3 1 19 PHE H . . 3.530 2.414 2.107 3.817 0.287 8 0 "[ . 1 .]" 1
147 1 18 GLU HB3 1 20 ALA H . . 5.100 4.818 4.392 5.350 0.250 8 0 "[ . 1 .]" 1
148 1 18 GLU HG2 1 19 PHE H . . 4.310 3.722 2.486 4.338 0.028 9 0 "[ . 1 .]" 1
149 1 19 PHE H 1 20 ALA H . . 3.520 2.803 2.699 2.985 . 0 0 "[ . 1 .]" 1
150 1 19 PHE H 1 20 ALA HA . . 5.260 5.368 5.250 5.511 0.251 6 0 "[ . 1 .]" 1
151 1 19 PHE H 1 20 ALA MB . . 4.680 4.427 4.299 4.524 . 0 0 "[ . 1 .]" 1
152 1 19 PHE H 1 21 LYS H . . 4.900 4.209 3.886 4.559 . 0 0 "[ . 1 .]" 1
153 1 19 PHE H 1 22 LYS H . . 5.420 4.689 4.608 4.754 . 0 0 "[ . 1 .]" 1
154 1 19 PHE H 1 51 PHE QD . . 6.050 6.185 6.094 6.362 0.312 9 0 "[ . 1 .]" 1
155 1 19 PHE H 1 77 PHE QD . . 5.940 5.540 5.215 5.968 0.028 15 0 "[ . 1 .]" 1
156 1 19 PHE HA 1 20 ALA H . . 3.950 3.499 3.420 3.567 . 0 0 "[ . 1 .]" 1
157 1 19 PHE HA 1 22 LYS H . . 4.980 3.276 3.094 3.382 . 0 0 "[ . 1 .]" 1
158 1 19 PHE HB2 1 20 ALA H . . 3.760 3.085 2.793 3.486 . 0 0 "[ . 1 .]" 1
159 1 19 PHE HB3 1 20 ALA H . . 3.930 3.202 2.605 3.675 . 0 0 "[ . 1 .]" 1
160 1 19 PHE QD 1 22 LYS H . . 5.720 5.359 5.154 5.577 . 0 0 "[ . 1 .]" 1
161 1 19 PHE QD 1 51 PHE H . . 6.110 6.020 5.422 6.209 0.099 14 0 "[ . 1 .]" 1
162 1 19 PHE QD 1 77 PHE H . . 6.150 6.304 6.200 6.388 0.238 10 0 "[ . 1 .]" 1
163 1 20 ALA H 1 21 LYS H . . 3.730 2.594 2.447 2.762 . 0 0 "[ . 1 .]" 1
164 1 20 ALA H 1 21 LYS HB2 . . 4.380 4.534 4.422 4.720 0.340 9 0 "[ . 1 .]" 1
165 1 20 ALA H 1 22 LYS H . . 5.830 3.858 3.604 4.219 . 0 0 "[ . 1 .]" 1
166 1 20 ALA H 1 23 MET H . . 5.930 4.735 4.457 5.353 . 0 0 "[ . 1 .]" 1
167 1 20 ALA H 1 59 THR HG1 . . 5.790 5.796 4.991 5.977 0.187 11 0 "[ . 1 .]" 1
168 1 20 ALA HA 1 21 LYS H . . 3.720 3.499 3.443 3.546 . 0 0 "[ . 1 .]" 1
169 1 20 ALA HA 1 22 LYS H . . 5.240 4.189 4.021 4.402 . 0 0 "[ . 1 .]" 1
170 1 20 ALA HA 1 23 MET H . . 4.960 3.736 3.429 3.919 . 0 0 "[ . 1 .]" 1
171 1 20 ALA HA 1 24 GLU H . . 4.740 4.749 4.350 4.854 0.114 3 0 "[ . 1 .]" 1
172 1 21 LYS H 1 22 LYS H . . 3.640 2.317 2.300 2.344 . 0 0 "[ . 1 .]" 1
173 1 21 LYS H 1 24 GLU H . . 4.960 5.038 4.786 5.112 0.152 6 0 "[ . 1 .]" 1
174 1 21 LYS H 1 63 ASN HA . . 6.300 5.751 5.350 6.105 . 0 0 "[ . 1 .]" 1
175 1 21 LYS HA 1 23 MET H . . 5.650 4.461 4.245 4.649 . 0 0 "[ . 1 .]" 1
176 1 21 LYS HB2 1 23 MET H . . 5.430 5.434 5.252 5.567 0.137 9 0 "[ . 1 .]" 1
177 1 22 LYS H 1 23 MET H . . 3.870 2.409 2.209 2.750 . 0 0 "[ . 1 .]" 1
178 1 22 LYS H 1 24 GLU H . . 3.940 3.922 3.739 4.079 0.139 3 0 "[ . 1 .]" 1
179 1 22 LYS HB2 1 23 MET H . . 4.170 3.552 3.049 4.052 . 0 0 "[ . 1 .]" 1
180 1 22 LYS HB3 1 24 GLU H . . 5.110 4.962 4.767 5.117 0.007 7 0 "[ . 1 .]" 1
181 1 22 LYS HG2 1 23 MET H . . 5.590 4.681 3.446 5.131 . 0 0 "[ . 1 .]" 1
182 1 23 MET HA 1 24 GLU H . . 3.820 3.497 3.461 3.528 . 0 0 "[ . 1 .]" 1
183 1 23 MET HB3 1 24 GLU H . . 4.610 3.083 2.754 3.854 . 0 0 "[ . 1 .]" 1
184 1 24 GLU H 1 25 GLU H . . 4.120 2.596 2.340 2.891 . 0 0 "[ . 1 .]" 1
185 1 24 GLU HA 1 26 GLN H . . 4.780 3.564 3.371 3.929 . 0 0 "[ . 1 .]" 1
186 1 24 GLU HA 1 27 ASN H . . 4.600 4.633 4.304 4.706 0.106 6 0 "[ . 1 .]" 1
187 1 24 GLU HB2 1 25 GLU H . . 4.210 3.679 3.004 4.191 . 0 0 "[ . 1 .]" 1
188 1 26 GLN H 1 27 ASN H . . 4.630 2.765 2.587 2.898 . 0 0 "[ . 1 .]" 1
189 1 26 GLN H 1 28 LYS H . . 4.130 4.203 4.119 4.319 0.189 5 0 "[ . 1 .]" 1
190 1 26 GLN HA 1 27 ASN H . . 4.070 3.519 3.478 3.551 . 0 0 "[ . 1 .]" 1
191 1 26 GLN HB2 1 27 ASN H . . 4.330 3.760 2.887 4.112 . 0 0 "[ . 1 .]" 1
192 1 26 GLN HG2 1 27 ASN H . . 4.940 4.394 3.585 4.936 . 0 0 "[ . 1 .]" 1
193 1 27 ASN H 1 28 LYS H . . 4.830 2.716 2.673 2.812 . 0 0 "[ . 1 .]" 1
194 1 27 ASN HA 1 28 LYS H . . 4.690 3.478 3.429 3.525 . 0 0 "[ . 1 .]" 1
195 1 27 ASN HA 1 29 ARG H . . 5.050 4.201 3.589 5.058 0.008 5 0 "[ . 1 .]" 1
196 1 27 ASN HA 1 30 PHE H . . 4.920 4.157 3.449 4.471 . 0 0 "[ . 1 .]" 1
197 1 27 ASN HB2 1 28 LYS H . . 4.040 3.595 3.101 4.020 . 0 0 "[ . 1 .]" 1
198 1 27 ASN HB3 1 28 LYS H . . 4.030 3.135 2.703 3.936 . 0 0 "[ . 1 .]" 1
199 1 28 LYS H 1 30 PHE H . . 4.740 4.095 3.572 4.439 . 0 0 "[ . 1 .]" 1
200 1 28 LYS HA 1 30 PHE H . . 4.730 3.574 3.359 4.277 . 0 0 "[ . 1 .]" 1
201 1 28 LYS HB2 1 29 ARG H . . 4.160 2.989 2.308 3.238 . 0 0 "[ . 1 .]" 1
202 1 28 LYS HB2 1 30 PHE H . . 4.800 4.843 4.543 4.941 0.141 10 0 "[ . 1 .]" 1
203 1 29 ARG H 1 30 PHE H . . 4.420 2.698 2.464 2.769 . 0 0 "[ . 1 .]" 1
204 1 29 ARG H 1 31 PHE H . . 5.210 4.553 4.021 4.772 . 0 0 "[ . 1 .]" 1
205 1 29 ARG HA 1 30 PHE H . . 3.780 3.438 3.427 3.445 . 0 0 "[ . 1 .]" 1
206 1 29 ARG HA 1 32 ALA H . . 4.780 3.503 2.950 3.811 . 0 0 "[ . 1 .]" 1
207 1 30 PHE H 1 31 PHE H . . 4.150 2.580 2.473 2.639 . 0 0 "[ . 1 .]" 1
208 1 30 PHE H 1 31 PHE HB2 . . 4.840 4.877 4.773 4.923 0.083 2 0 "[ . 1 .]" 1
209 1 30 PHE H 1 31 PHE HB3 . . 4.840 4.871 4.691 4.925 0.085 2 0 "[ . 1 .]" 1
210 1 30 PHE H 1 32 ALA H . . 4.900 3.692 3.537 3.916 . 0 0 "[ . 1 .]" 1
211 1 30 PHE H 1 32 ALA MB . . 4.820 4.778 4.595 4.915 0.095 5 0 "[ . 1 .]" 1
212 1 30 PHE H 1 33 ASP H . . 4.300 4.466 4.225 4.580 0.280 11 0 "[ . 1 .]" 1
213 1 31 PHE H 1 32 ALA H . . 3.960 2.463 1.820 2.728 . 0 0 "[ . 1 .]" 1
214 1 31 PHE HB2 1 32 ALA H . . 4.280 4.013 3.940 4.175 . 0 0 "[ . 1 .]" 1
215 1 32 ALA H 1 33 ASP H . . 4.700 2.226 2.018 2.339 . 0 0 "[ . 1 .]" 1
216 1 32 ALA H 1 34 LYS H . . 5.300 4.175 3.132 4.530 . 0 0 "[ . 1 .]" 1
217 1 32 ALA HA 1 33 ASP H . . 3.670 3.278 3.154 3.535 . 0 0 "[ . 1 .]" 1
218 1 32 ALA HA 1 34 LYS H . . 5.270 3.335 3.169 4.001 . 0 0 "[ . 1 .]" 1
219 1 33 ASP H 1 34 LYS H . . 4.460 2.630 2.308 2.706 . 0 0 "[ . 1 .]" 1
220 1 33 ASP HB2 1 34 LYS H . . 4.500 3.987 3.716 4.544 0.044 2 0 "[ . 1 .]" 1
221 1 33 ASP HB3 1 34 LYS H . . 4.410 3.543 3.132 4.282 . 0 0 "[ . 1 .]" 1
222 1 35 PRO HA 1 36 ASP H . . 3.170 2.408 2.158 3.489 0.319 7 0 "[ . 1 .]" 1
223 1 36 ASP H 1 37 GLU H . . 4.240 2.400 1.896 2.855 . 0 0 "[ . 1 .]" 1
224 1 36 ASP H 1 38 ALA H . . 4.200 3.706 2.779 4.308 0.108 7 0 "[ . 1 .]" 1
225 1 36 ASP H 1 39 THR HA . . 4.960 4.024 3.091 4.892 . 0 0 "[ . 1 .]" 1
226 1 36 ASP H 1 39 THR HB . . 5.520 5.253 4.192 5.627 0.107 13 0 "[ . 1 .]" 1
227 1 36 ASP HA 1 37 GLU H . . 3.570 3.137 2.896 3.564 . 0 0 "[ . 1 .]" 1
228 1 36 ASP HA 1 38 ALA H . . 4.890 4.592 4.192 4.925 0.035 6 0 "[ . 1 .]" 1
229 1 36 ASP HA 1 39 THR H . . 5.270 5.062 4.373 5.384 0.114 10 0 "[ . 1 .]" 1
230 1 36 ASP HB2 1 37 GLU H . . 3.960 3.869 2.798 4.117 0.157 13 0 "[ . 1 .]" 1
231 1 37 GLU H 1 39 THR H . . 4.650 3.756 3.158 4.765 0.115 7 0 "[ . 1 .]" 1
232 1 37 GLU HA 1 38 ALA H . . 3.760 3.535 3.455 3.570 . 0 0 "[ . 1 .]" 1
233 1 37 GLU HB2 1 38 ALA H . . 4.540 3.457 2.998 4.046 . 0 0 "[ . 1 .]" 1
234 1 37 GLU HB3 1 38 ALA H . . 4.410 2.729 2.210 4.076 . 0 0 "[ . 1 .]" 1
235 1 37 GLU HG2 1 38 ALA H . . 4.650 4.162 2.596 4.640 . 0 0 "[ . 1 .]" 1
236 1 38 ALA H 1 39 THR H . . 4.700 2.598 2.213 2.861 . 0 0 "[ . 1 .]" 1
237 1 38 ALA H 1 40 LEU H . . 5.040 4.813 4.252 5.199 0.159 13 0 "[ . 1 .]" 1
238 1 38 ALA HA 1 39 THR H . . 3.370 3.500 3.282 3.571 0.201 12 0 "[ . 1 .]" 1
239 1 38 ALA MB 1 39 THR H . . 3.840 2.647 2.165 3.282 . 0 0 "[ . 1 .]" 1
240 1 38 ALA MB 1 40 LEU H . . 4.170 2.813 2.289 4.028 . 0 0 "[ . 1 .]" 1
241 1 39 THR H 1 40 LEU HB3 . . 5.390 5.280 4.778 5.727 0.337 15 0 "[ . 1 .]" 1
242 1 39 THR H 1 40 LEU MD1 . . 5.840 5.901 5.481 6.220 0.380 13 0 "[ . 1 .]" 1
243 1 39 THR HA 1 40 LEU H . . 3.330 2.927 2.481 3.565 0.235 13 0 "[ . 1 .]" 1
244 1 39 THR HB 1 40 LEU H . . 4.770 4.265 2.348 4.649 . 0 0 "[ . 1 .]" 1
245 1 39 THR HG1 1 40 LEU H . . 4.170 4.199 3.863 4.681 0.511 12 1 "[ . 1 + .]" 1
246 1 40 LEU H 1 41 SER H . . 4.720 4.512 4.040 4.646 . 0 0 "[ . 1 .]" 1
247 1 40 LEU HA 1 41 SER H . . 3.080 2.443 2.164 2.774 . 0 0 "[ . 1 .]" 1
248 1 40 LEU HB2 1 41 SER H . . 4.040 3.047 1.837 4.142 0.102 13 0 "[ . 1 .]" 1
249 1 40 LEU HB3 1 41 SER H . . 4.430 3.633 3.323 4.173 . 0 0 "[ . 1 .]" 1
250 1 40 LEU MD1 1 41 SER H . . 3.620 3.093 1.918 3.655 0.035 14 0 "[ . 1 .]" 1
251 1 40 LEU HG 1 41 SER H . . 3.990 2.951 1.947 4.381 0.391 13 0 "[ . 1 .]" 1
252 1 41 SER H 1 43 GLU HB2 . . 5.950 6.128 6.101 6.164 0.214 15 0 "[ . 1 .]" 1
253 1 41 SER H 1 43 GLU HB3 . . 4.210 4.466 4.425 4.511 0.301 10 0 "[ . 1 .]" 1
254 1 41 SER H 1 43 GLU HG2 . . 4.410 4.523 4.450 4.626 0.216 8 0 "[ . 1 .]" 1
255 1 41 SER HA 1 43 GLU H . . 3.810 3.938 3.930 3.947 0.137 15 0 "[ . 1 .]" 1
256 1 41 SER HB2 1 43 GLU H . . 4.410 2.199 2.178 2.246 . 0 0 "[ . 1 .]" 1
257 1 41 SER HB2 1 44 MET H . . 4.700 4.759 4.651 4.828 0.128 13 0 "[ . 1 .]" 1
258 1 42 PRO HA 1 45 LYS H . . 4.440 2.822 2.705 3.061 . 0 0 "[ . 1 .]" 1
259 1 43 GLU H 1 44 MET H . . 4.150 2.775 2.727 2.863 . 0 0 "[ . 1 .]" 1
260 1 43 GLU H 1 44 MET HA . . 5.310 5.373 5.323 5.432 0.122 10 0 "[ . 1 .]" 1
261 1 43 GLU H 1 45 LYS H . . 5.340 3.988 3.813 4.193 . 0 0 "[ . 1 .]" 1
262 1 43 GLU HA 1 44 MET H . . 3.860 3.499 3.462 3.541 . 0 0 "[ . 1 .]" 1
263 1 43 GLU HA 1 45 LYS H . . 4.280 4.278 4.088 4.341 0.061 7 0 "[ . 1 .]" 1
264 1 43 GLU HG3 1 45 LYS H . . 5.710 4.824 4.323 5.292 . 0 0 "[ . 1 .]" 1
265 1 44 MET H 1 45 LYS H . . 3.850 2.274 2.208 2.398 . 0 0 "[ . 1 .]" 1
266 1 44 MET H 1 45 LYS HB2 . . 4.650 4.601 4.366 4.749 0.099 5 0 "[ . 1 .]" 1
267 1 44 MET H 1 47 HIS H . . 5.580 4.920 4.691 5.141 . 0 0 "[ . 1 .]" 1
268 1 44 MET HA 1 45 LYS H . . 4.050 3.454 3.418 3.493 . 0 0 "[ . 1 .]" 1
269 1 44 MET HA 1 47 HIS H . . 5.250 3.280 2.961 3.643 . 0 0 "[ . 1 .]" 1
270 1 44 MET HB2 1 45 LYS H . . 4.720 3.859 3.061 4.162 . 0 0 "[ . 1 .]" 1
271 1 44 MET HB3 1 45 LYS H . . 4.870 3.932 3.008 4.166 . 0 0 "[ . 1 .]" 1
272 1 45 LYS H 1 46 GLU H . . 3.790 2.523 2.375 2.713 . 0 0 "[ . 1 .]" 1
273 1 45 LYS H 1 46 GLU HB2 . . 5.040 4.438 4.263 4.606 . 0 0 "[ . 1 .]" 1
274 1 45 LYS H 1 47 HIS H . . 5.170 4.108 3.934 4.335 . 0 0 "[ . 1 .]" 1
275 1 45 LYS H 1 47 HIS HB3 . . 5.890 5.808 5.030 6.137 0.247 10 0 "[ . 1 .]" 1
276 1 45 LYS H 1 48 TYR H . . 4.660 4.724 4.522 4.809 0.149 13 0 "[ . 1 .]" 1
277 1 45 LYS HA 1 46 GLU H . . 3.980 3.453 3.427 3.564 . 0 0 "[ . 1 .]" 1
278 1 45 LYS HA 1 47 HIS H . . 5.020 4.407 4.160 4.667 . 0 0 "[ . 1 .]" 1
279 1 45 LYS HA 1 48 TYR H . . 3.850 3.758 3.342 3.893 0.043 6 0 "[ . 1 .]" 1
280 1 45 LYS HB3 1 46 GLU H . . 4.530 3.268 2.438 4.127 . 0 0 "[ . 1 .]" 1
281 1 45 LYS HG2 1 46 GLU H . . 4.580 4.491 4.005 4.859 0.279 11 0 "[ . 1 .]" 1
282 1 45 LYS HG3 1 46 GLU H . . 4.390 4.429 4.366 4.559 0.169 11 0 "[ . 1 .]" 1
283 1 46 GLU H 1 47 HIS H . . 3.940 2.371 2.330 2.598 . 0 0 "[ . 1 .]" 1
284 1 46 GLU H 1 47 HIS HA . . 5.440 5.049 5.008 5.217 . 0 0 "[ . 1 .]" 1
285 1 46 GLU H 1 47 HIS HB2 . . 4.790 4.518 4.424 4.859 0.069 5 0 "[ . 1 .]" 1
286 1 46 GLU H 1 48 TYR H . . 4.930 3.948 3.750 4.192 . 0 0 "[ . 1 .]" 1
287 1 46 GLU H 1 48 TYR HB2 . . 4.810 4.828 4.689 5.014 0.204 5 0 "[ . 1 .]" 1
288 1 46 GLU H 1 48 TYR QD . . 6.400 5.754 5.377 6.102 . 0 0 "[ . 1 .]" 1
289 1 46 GLU H 1 49 GLU H . . 5.450 4.887 4.679 5.312 . 0 0 "[ . 1 .]" 1
290 1 46 GLU HA 1 47 HIS H . . 4.040 3.512 3.493 3.538 . 0 0 "[ . 1 .]" 1
291 1 46 GLU HA 1 49 GLU H . . 4.180 3.943 3.658 4.156 . 0 0 "[ . 1 .]" 1
292 1 46 GLU HB2 1 47 HIS H . . 3.940 3.187 2.820 3.806 . 0 0 "[ . 1 .]" 1
293 1 46 GLU HB3 1 47 HIS H . . 3.870 3.171 2.801 3.724 . 0 0 "[ . 1 .]" 1
294 1 46 GLU HG2 1 47 HIS H . . 5.320 4.903 4.377 5.231 . 0 0 "[ . 1 .]" 1
295 1 46 GLU HG3 1 47 HIS H . . 5.320 4.978 4.550 5.204 . 0 0 "[ . 1 .]" 1
296 1 47 HIS H 1 48 TYR H . . 4.010 2.473 2.320 2.716 . 0 0 "[ . 1 .]" 1
297 1 47 HIS H 1 48 TYR QD . . 4.750 4.414 4.119 4.760 0.010 5 0 "[ . 1 .]" 1
298 1 47 HIS H 1 49 GLU H . . 4.970 3.847 3.738 4.027 . 0 0 "[ . 1 .]" 1
299 1 47 HIS HA 1 48 TYR H . . 4.120 3.543 3.492 3.557 . 0 0 "[ . 1 .]" 1
300 1 47 HIS HA 1 49 GLU H . . 4.140 3.755 3.556 3.861 . 0 0 "[ . 1 .]" 1
301 1 47 HIS HA 1 50 LYS H . . 4.220 3.778 3.672 3.860 . 0 0 "[ . 1 .]" 1
302 1 47 HIS HA 1 51 PHE H . . 5.500 5.645 5.556 5.735 0.235 15 0 "[ . 1 .]" 1
303 1 47 HIS HB3 1 49 GLU H . . 5.050 4.701 4.647 4.821 . 0 0 "[ . 1 .]" 1
304 1 48 TYR H 1 50 LYS H . . 4.860 4.281 4.213 4.356 . 0 0 "[ . 1 .]" 1
305 1 48 TYR H 1 51 PHE H . . 5.680 5.214 5.124 5.286 . 0 0 "[ . 1 .]" 1
306 1 48 TYR HA 1 49 GLU H . . 4.050 3.452 3.444 3.459 . 0 0 "[ . 1 .]" 1
307 1 48 TYR HA 1 50 LYS H . . 4.200 3.539 3.502 3.575 . 0 0 "[ . 1 .]" 1
308 1 48 TYR HA 1 51 PHE H . . 4.890 3.134 2.994 3.247 . 0 0 "[ . 1 .]" 1
309 1 48 TYR HA 1 52 GLU H . . 5.260 4.380 4.126 4.735 . 0 0 "[ . 1 .]" 1
310 1 48 TYR HB2 1 50 LYS H . . 4.940 5.072 5.026 5.125 0.185 15 0 "[ . 1 .]" 1
311 1 48 TYR HB3 1 50 LYS H . . 4.920 4.974 4.945 5.024 0.104 6 0 "[ . 1 .]" 1
312 1 48 TYR QD 1 49 GLU H . . 5.070 4.466 4.419 4.530 . 0 0 "[ . 1 .]" 1
313 1 48 TYR QD 1 50 LYS H . . 5.020 5.136 5.074 5.166 0.146 5 0 "[ . 1 .]" 1
314 1 49 GLU H 1 50 LYS H . . 3.880 2.643 2.593 2.691 . 0 0 "[ . 1 .]" 1
315 1 49 GLU H 1 51 PHE H . . 5.080 4.124 4.096 4.151 . 0 0 "[ . 1 .]" 1
316 1 49 GLU H 1 52 GLU H . . 5.600 5.050 4.881 5.257 . 0 0 "[ . 1 .]" 1
317 1 49 GLU HA 1 52 GLU H . . 4.550 3.605 3.464 3.713 . 0 0 "[ . 1 .]" 1
318 1 49 GLU HB2 1 50 LYS H . . 3.810 3.486 3.083 4.064 0.254 15 0 "[ . 1 .]" 1
319 1 49 GLU HB3 1 50 LYS H . . 4.030 3.607 3.289 4.107 0.077 15 0 "[ . 1 .]" 1
320 1 49 GLU HG2 1 50 LYS H . . 5.210 4.925 4.149 5.184 . 0 0 "[ . 1 .]" 1
321 1 50 LYS H 1 51 PHE H . . 3.750 2.306 2.261 2.349 . 0 0 "[ . 1 .]" 1
322 1 50 LYS H 1 52 GLU H . . 4.560 4.098 3.873 4.323 . 0 0 "[ . 1 .]" 1
323 1 50 LYS HA 1 51 PHE H . . 3.640 3.439 3.431 3.447 . 0 0 "[ . 1 .]" 1
324 1 50 LYS HB2 1 51 PHE H . . 3.820 3.533 3.132 3.781 . 0 0 "[ . 1 .]" 1
325 1 51 PHE H 1 52 GLU H . . 3.870 2.422 2.313 2.556 . 0 0 "[ . 1 .]" 1
326 1 51 PHE H 1 52 GLU HA . . 5.630 5.047 4.938 5.158 . 0 0 "[ . 1 .]" 1
327 1 51 PHE H 1 52 GLU HB2 . . 5.630 5.874 5.823 5.926 0.296 10 0 "[ . 1 .]" 1
328 1 51 PHE H 1 52 GLU HG2 . . 3.970 3.805 3.351 4.017 0.047 2 0 "[ . 1 .]" 1
329 1 51 PHE H 1 53 LYS H . . 3.980 4.021 3.933 4.091 0.111 6 0 "[ . 1 .]" 1
330 1 51 PHE H 1 54 MET HB2 . . 5.240 5.349 4.969 5.611 0.371 9 0 "[ . 1 .]" 1
331 1 51 PHE HA 1 52 GLU H . . 4.030 3.539 3.494 3.563 . 0 0 "[ . 1 .]" 1
332 1 51 PHE HA 1 53 LYS H . . 4.800 4.276 3.773 4.517 . 0 0 "[ . 1 .]" 1
333 1 51 PHE HA 1 54 MET H . . 5.610 3.440 3.087 3.652 . 0 0 "[ . 1 .]" 1
334 1 51 PHE HB2 1 52 GLU H . . 3.810 3.458 3.320 4.157 0.347 9 0 "[ . 1 .]" 1
335 1 51 PHE HB3 1 52 GLU H . . 3.750 2.690 2.440 3.122 . 0 0 "[ . 1 .]" 1
336 1 51 PHE QD 1 52 GLU H . . 5.650 4.171 2.895 4.666 . 0 0 "[ . 1 .]" 1
337 1 51 PHE QD 1 54 MET H . . 4.980 4.618 3.991 5.109 0.129 10 0 "[ . 1 .]" 1
338 1 52 GLU H 1 53 LYS H . . 3.780 2.803 2.575 2.857 . 0 0 "[ . 1 .]" 1
339 1 52 GLU H 1 54 MET H . . 4.760 4.093 3.906 4.221 . 0 0 "[ . 1 .]" 1
340 1 52 GLU HA 1 53 LYS H . . 4.190 3.532 3.470 3.548 . 0 0 "[ . 1 .]" 1
341 1 52 GLU HA 1 54 MET H . . 4.880 3.898 3.688 4.187 . 0 0 "[ . 1 .]" 1
342 1 52 GLU HA 1 55 ILE H . . 4.230 3.174 3.035 3.511 . 0 0 "[ . 1 .]" 1
343 1 52 GLU HB2 1 53 LYS H . . 3.870 3.501 3.338 3.920 0.050 12 0 "[ . 1 .]" 1
344 1 52 GLU HB2 1 56 GLN H . . 4.900 5.132 4.995 5.254 0.354 8 0 "[ . 1 .]" 1
345 1 52 GLU HB3 1 53 LYS H . . 3.870 4.005 3.928 4.104 0.234 8 0 "[ . 1 .]" 1
346 1 52 GLU HG2 1 53 LYS H . . 3.840 3.276 2.584 3.587 . 0 0 "[ . 1 .]" 1
347 1 53 LYS H 1 55 ILE H . . 4.210 4.110 3.773 4.256 0.046 9 0 "[ . 1 .]" 1
348 1 53 LYS HA 1 54 MET H . . 3.670 3.466 3.434 3.513 . 0 0 "[ . 1 .]" 1
349 1 53 LYS HA 1 55 ILE H . . 4.260 4.260 4.012 4.605 0.345 8 0 "[ . 1 .]" 1
350 1 54 MET H 1 55 ILE H . . 3.720 2.354 2.264 2.540 . 0 0 "[ . 1 .]" 1
351 1 54 MET H 1 55 ILE HA . . 5.130 4.968 4.854 5.136 0.006 15 0 "[ . 1 .]" 1
352 1 54 MET H 1 55 ILE HB . . 5.200 4.642 4.263 4.974 . 0 0 "[ . 1 .]" 1
353 1 54 MET H 1 56 GLN H . . 4.920 4.500 4.003 4.787 . 0 0 "[ . 1 .]" 1
354 1 54 MET HA 1 55 ILE H . . 4.120 3.482 3.423 3.538 . 0 0 "[ . 1 .]" 1
355 1 54 MET HA 1 56 GLN H . . 4.920 4.727 4.136 4.982 0.062 15 0 "[ . 1 .]" 1
356 1 54 MET HA 1 58 HIS H . . 5.700 4.168 3.835 4.748 . 0 0 "[ . 1 .]" 1
357 1 54 MET HB2 1 55 ILE H . . 3.740 3.307 3.054 3.619 . 0 0 "[ . 1 .]" 1
358 1 54 MET HB3 1 55 ILE H . . 4.020 3.244 3.004 3.617 . 0 0 "[ . 1 .]" 1
359 1 54 MET HG2 1 55 ILE H . . 5.180 5.087 4.966 5.216 0.036 12 0 "[ . 1 .]" 1
360 1 54 MET HG3 1 55 ILE H . . 5.180 5.062 4.941 5.177 . 0 0 "[ . 1 .]" 1
361 1 55 ILE H 1 58 HIS H . . 4.660 4.941 4.788 5.145 0.485 14 0 "[ . 1 .]" 1
362 1 55 ILE HA 1 56 GLN H . . 4.200 3.563 3.520 3.572 . 0 0 "[ . 1 .]" 1
363 1 55 ILE HA 1 58 HIS H . . 4.770 3.851 3.632 4.154 . 0 0 "[ . 1 .]" 1
364 1 55 ILE HB 1 56 GLN H . . 4.290 2.593 2.060 3.936 . 0 0 "[ . 1 .]" 1
365 1 56 GLN HA 1 58 HIS H . . 4.050 4.341 4.248 4.667 0.617 8 1 "[ . + 1 .]" 1
366 1 57 GLU H 1 58 HIS H . . 5.710 2.551 2.416 2.766 . 0 0 "[ . 1 .]" 1
367 1 57 GLU H 1 60 ASP H . . 5.860 4.970 4.281 6.269 0.409 12 0 "[ . 1 .]" 1
368 1 57 GLU HB3 1 58 HIS H . . 4.100 2.724 2.384 2.924 . 0 0 "[ . 1 .]" 1
369 1 57 GLU HG2 1 58 HIS H . . 5.120 4.452 3.508 5.110 . 0 0 "[ . 1 .]" 1
370 1 58 HIS H 1 59 THR H . . 4.230 1.931 1.704 2.279 . 0 0 "[ . 1 .]" 1
371 1 58 HIS HA 1 59 THR H . . 4.210 3.210 2.621 3.508 . 0 0 "[ . 1 .]" 1
372 1 58 HIS HA 1 61 LYS H . . 4.560 3.737 3.387 3.998 . 0 0 "[ . 1 .]" 1
373 1 58 HIS HA 1 62 PHE H . . 4.990 5.080 4.718 5.388 0.398 11 0 "[ . 1 .]" 1
374 1 58 HIS HB2 1 59 THR H . . 4.820 3.793 3.248 4.529 . 0 0 "[ . 1 .]" 1
375 1 58 HIS HB3 1 59 THR H . . 4.570 3.631 2.875 4.660 0.090 14 0 "[ . 1 .]" 1
376 1 59 THR H 1 60 ASP H . . 5.090 2.617 2.315 2.857 . 0 0 "[ . 1 .]" 1
377 1 59 THR H 1 60 ASP HA . . 5.860 5.182 4.915 5.396 . 0 0 "[ . 1 .]" 1
378 1 59 THR HA 1 60 ASP H . . 4.560 3.493 3.433 3.520 . 0 0 "[ . 1 .]" 1
379 1 59 THR HA 1 61 LYS H . . 5.160 3.925 3.767 4.168 . 0 0 "[ . 1 .]" 1
380 1 59 THR HB 1 60 ASP H . . 4.410 3.250 2.825 4.188 . 0 0 "[ . 1 .]" 1
381 1 59 THR HB 1 62 PHE H . . 5.400 5.335 4.749 5.506 0.106 7 0 "[ . 1 .]" 1
382 1 60 ASP H 1 61 LYS H . . 4.550 2.797 2.676 2.928 . 0 0 "[ . 1 .]" 1
383 1 60 ASP H 1 62 PHE H . . 5.330 4.131 3.963 4.267 . 0 0 "[ . 1 .]" 1
384 1 60 ASP HA 1 61 LYS H . . 4.170 3.512 3.488 3.556 . 0 0 "[ . 1 .]" 1
385 1 60 ASP HA 1 62 PHE H . . 4.790 4.528 4.338 4.716 . 0 0 "[ . 1 .]" 1
386 1 60 ASP HB2 1 61 LYS H . . 4.260 4.001 3.789 4.120 . 0 0 "[ . 1 .]" 1
387 1 60 ASP HB3 1 61 LYS H . . 4.240 3.068 2.558 4.088 . 0 0 "[ . 1 .]" 1
388 1 61 LYS H 1 62 PHE H . . 4.090 2.378 2.311 2.584 . 0 0 "[ . 1 .]" 1
389 1 61 LYS H 1 62 PHE HB2 . . 5.170 4.308 4.182 4.609 . 0 0 "[ . 1 .]" 1
390 1 61 LYS H 1 62 PHE HB3 . . 5.060 5.126 4.967 5.204 0.144 9 0 "[ . 1 .]" 1
391 1 61 LYS H 1 63 ASN H . . 4.960 4.116 3.855 4.363 . 0 0 "[ . 1 .]" 1
392 1 61 LYS H 1 63 ASN HB3 . . 5.410 5.276 4.920 5.582 0.172 8 0 "[ . 1 .]" 1
393 1 61 LYS H 1 64 LYS H . . 5.580 5.026 4.694 5.362 . 0 0 "[ . 1 .]" 1
394 1 61 LYS HA 1 62 PHE H . . 4.200 3.511 3.477 3.538 . 0 0 "[ . 1 .]" 1
395 1 61 LYS HA 1 64 LYS H . . 5.150 3.712 3.524 3.904 . 0 0 "[ . 1 .]" 1
396 1 61 LYS HB2 1 62 PHE H . . 3.990 3.995 3.881 4.086 0.096 5 0 "[ . 1 .]" 1
397 1 61 LYS HD2 1 62 PHE H . . 5.380 5.083 3.300 5.413 0.033 10 0 "[ . 1 .]" 1
398 1 61 LYS HG2 1 62 PHE H . . 4.660 3.871 2.108 4.710 0.050 1 0 "[ . 1 .]" 1
399 1 61 LYS HG3 1 62 PHE H . . 4.640 4.136 2.083 4.690 0.050 10 0 "[ . 1 .]" 1
400 1 62 PHE H 1 63 ASN H . . 4.270 2.677 2.477 2.820 . 0 0 "[ . 1 .]" 1
401 1 62 PHE H 1 63 ASN HB2 . . 5.160 5.127 4.627 5.386 0.226 10 0 "[ . 1 .]" 1
402 1 62 PHE H 1 63 ASN HB3 . . 5.160 4.771 4.296 5.219 0.059 8 0 "[ . 1 .]" 1
403 1 62 PHE H 1 64 LYS HB2 . . 5.530 5.065 4.576 5.453 . 0 0 "[ . 1 .]" 1
404 1 62 PHE H 1 65 LYS H . . 4.940 4.959 4.829 5.094 0.154 1 0 "[ . 1 .]" 1
405 1 62 PHE HB2 1 64 LYS H . . 5.160 5.259 5.155 5.323 0.163 8 0 "[ . 1 .]" 1
406 1 62 PHE HB2 1 66 MET H . . 5.590 5.713 5.534 5.869 0.279 12 0 "[ . 1 .]" 1
407 1 62 PHE QD 1 63 ASN H . . 5.190 4.237 3.834 4.523 . 0 0 "[ . 1 .]" 1
408 1 62 PHE QD 1 66 MET H . . 5.590 3.531 2.413 4.623 . 0 0 "[ . 1 .]" 1
409 1 63 ASN H 1 64 LYS H . . 4.490 2.736 2.559 2.840 . 0 0 "[ . 1 .]" 1
410 1 63 ASN H 1 65 LYS H . . 5.040 4.293 4.159 4.479 . 0 0 "[ . 1 .]" 1
411 1 63 ASN H 1 66 MET H . . 5.710 4.804 4.692 4.891 . 0 0 "[ . 1 .]" 1
412 1 63 ASN HA 1 64 LYS H . . 4.160 3.455 3.428 3.509 . 0 0 "[ . 1 .]" 1
413 1 63 ASN HA 1 65 LYS H . . 4.220 4.288 4.234 4.375 0.155 7 0 "[ . 1 .]" 1
414 1 63 ASN HA 1 66 MET H . . 4.270 3.708 3.494 3.900 . 0 0 "[ . 1 .]" 1
415 1 63 ASN HB2 1 64 LYS H . . 5.080 4.128 3.824 4.351 . 0 0 "[ . 1 .]" 1
416 1 63 ASN HB3 1 64 LYS H . . 4.880 3.053 2.813 3.295 . 0 0 "[ . 1 .]" 1
417 1 64 LYS H 1 65 LYS H . . 4.870 2.449 2.287 2.706 . 0 0 "[ . 1 .]" 1
418 1 64 LYS H 1 65 LYS HA . . 5.590 5.114 4.974 5.321 . 0 0 "[ . 1 .]" 1
419 1 64 LYS H 1 65 LYS HB2 . . 5.930 5.355 4.972 6.069 0.139 13 0 "[ . 1 .]" 1
420 1 64 LYS H 1 65 LYS HG2 . . 5.920 3.654 3.349 4.297 . 0 0 "[ . 1 .]" 1
421 1 64 LYS H 1 66 MET H . . 5.200 4.097 3.893 4.215 . 0 0 "[ . 1 .]" 1
422 1 64 LYS H 1 67 ARG H . . 5.860 4.600 4.548 4.690 . 0 0 "[ . 1 .]" 1
423 1 64 LYS HA 1 65 LYS H . . 4.240 3.508 3.477 3.538 . 0 0 "[ . 1 .]" 1
424 1 64 LYS HA 1 66 MET H . . 4.910 4.948 4.782 5.025 0.115 5 0 "[ . 1 .]" 1
425 1 64 LYS HB2 1 65 LYS H . . 5.410 3.235 2.821 3.825 . 0 0 "[ . 1 .]" 1
426 1 65 LYS H 1 66 MET H . . 3.770 2.469 2.391 2.528 . 0 0 "[ . 1 .]" 1
427 1 65 LYS HB2 1 66 MET H . . 3.910 2.696 2.340 3.602 . 0 0 "[ . 1 .]" 1
428 1 65 LYS HB2 1 68 GLU H . . 5.530 5.658 5.545 5.804 0.274 9 0 "[ . 1 .]" 1
429 1 65 LYS HG2 1 66 MET H . . 4.490 3.338 2.301 4.094 . 0 0 "[ . 1 .]" 1
430 1 65 LYS HG2 1 67 ARG H . . 4.960 5.103 4.569 5.303 0.343 12 0 "[ . 1 .]" 1
431 1 65 LYS HG3 1 66 MET H . . 4.680 3.703 1.937 4.474 . 0 0 "[ . 1 .]" 1
432 1 66 MET H 1 67 ARG H . . 4.010 2.597 2.548 2.626 . 0 0 "[ . 1 .]" 1
433 1 66 MET HA 1 67 ARG H . . 4.020 3.352 3.315 3.385 . 0 0 "[ . 1 .]" 1
434 1 66 MET HA 1 68 GLU H . . 5.870 3.391 3.280 3.501 . 0 0 "[ . 1 .]" 1
435 1 66 MET HB2 1 68 GLU H . . 5.210 5.233 5.113 5.438 0.228 5 0 "[ . 1 .]" 1
436 1 66 MET HG2 1 67 ARG H . . 4.870 4.831 4.460 4.994 0.124 5 0 "[ . 1 .]" 1
437 1 67 ARG HB2 1 68 GLU H . . 4.330 3.834 3.434 4.234 . 0 0 "[ . 1 .]" 1
438 1 68 GLU H 1 69 HIS H . . 4.770 2.643 2.383 2.968 . 0 0 "[ . 1 .]" 1
439 1 68 GLU H 1 70 SER H . . 4.960 3.775 3.613 3.960 . 0 0 "[ . 1 .]" 1
440 1 69 HIS H 1 70 SER H . . 4.310 2.301 2.062 2.537 . 0 0 "[ . 1 .]" 1
441 1 69 HIS HB2 1 70 SER H . . 4.580 3.603 3.084 3.818 . 0 0 "[ . 1 .]" 1
442 1 70 SER H 1 71 GLU H . . 4.740 2.617 2.552 2.755 . 0 0 "[ . 1 .]" 1
443 1 70 SER H 1 73 PHE H . . 4.900 4.855 4.640 4.943 0.043 8 0 "[ . 1 .]" 1
444 1 70 SER HA 1 72 HIS H . . 5.190 4.209 4.074 4.600 . 0 0 "[ . 1 .]" 1
445 1 70 SER HA 1 73 PHE H . . 3.590 3.069 2.974 3.257 . 0 0 "[ . 1 .]" 1
446 1 70 SER HA 1 74 LYS H . . 4.610 3.273 2.874 3.658 . 0 0 "[ . 1 .]" 1
447 1 70 SER HB2 1 74 LYS H . . 4.440 4.069 3.724 4.483 0.043 7 0 "[ . 1 .]" 1
448 1 71 GLU H 1 73 PHE H . . 3.620 3.704 3.642 3.733 0.113 3 0 "[ . 1 .]" 1
449 1 72 HIS H 1 74 LYS H . . 4.540 4.263 4.094 4.358 . 0 0 "[ . 1 .]" 1
450 1 72 HIS HA 1 73 PHE H . . 4.290 3.436 3.432 3.444 . 0 0 "[ . 1 .]" 1
451 1 72 HIS HA 1 74 LYS H . . 4.770 4.741 4.473 4.818 0.048 7 0 "[ . 1 .]" 1
452 1 72 HIS HA 1 75 ALA H . . 4.130 3.725 3.657 3.823 . 0 0 "[ . 1 .]" 1
453 1 72 HIS HA 1 76 LYS H . . 5.610 4.754 4.260 5.170 . 0 0 "[ . 1 .]" 1
454 1 73 PHE H 1 74 LYS H . . 3.910 2.543 2.438 2.632 . 0 0 "[ . 1 .]" 1
455 1 73 PHE H 1 74 LYS HB2 . . 5.240 5.033 4.919 5.122 . 0 0 "[ . 1 .]" 1
456 1 73 PHE H 1 75 ALA H . . 5.010 3.754 3.661 3.895 . 0 0 "[ . 1 .]" 1
457 1 73 PHE H 1 76 LYS H . . 4.940 4.763 4.560 4.975 0.035 15 0 "[ . 1 .]" 1
458 1 73 PHE HA 1 74 LYS H . . 4.260 3.557 3.532 3.563 . 0 0 "[ . 1 .]" 1
459 1 73 PHE HA 1 76 LYS H . . 3.420 3.210 3.067 3.442 0.022 15 0 "[ . 1 .]" 1
460 1 73 PHE HB2 1 74 LYS H . . 3.310 2.481 2.369 2.656 . 0 0 "[ . 1 .]" 1
461 1 73 PHE HB2 1 75 ALA H . . 4.630 4.711 4.619 4.847 0.217 13 0 "[ . 1 .]" 1
462 1 73 PHE QD 1 74 LYS H . . 5.040 4.311 4.220 4.413 . 0 0 "[ . 1 .]" 1
463 1 74 LYS H 1 75 ALA H . . 3.720 2.717 2.673 2.765 . 0 0 "[ . 1 .]" 1
464 1 74 LYS H 1 75 ALA MB . . 5.580 4.368 4.273 4.452 . 0 0 "[ . 1 .]" 1
465 1 74 LYS H 1 76 LYS H . . 4.330 4.233 4.158 4.342 0.012 10 0 "[ . 1 .]" 1
466 1 74 LYS HA 1 75 ALA H . . 4.120 3.451 3.436 3.473 . 0 0 "[ . 1 .]" 1
467 1 74 LYS HA 1 77 PHE H . . 4.580 3.947 3.688 4.087 . 0 0 "[ . 1 .]" 1
468 1 74 LYS HB2 1 75 ALA H . . 4.560 4.175 4.128 4.213 . 0 0 "[ . 1 .]" 1
469 1 75 ALA H 1 76 LYS H . . 3.580 2.385 2.311 2.525 . 0 0 "[ . 1 .]" 1
470 1 75 ALA H 1 76 LYS HB3 . . 4.870 4.821 4.255 4.973 0.103 4 0 "[ . 1 .]" 1
471 1 75 ALA H 1 77 PHE H . . 4.400 4.198 3.886 4.338 . 0 0 "[ . 1 .]" 1
472 1 75 ALA H 1 77 PHE HB2 . . 5.140 5.238 5.158 5.363 0.223 9 0 "[ . 1 .]" 1
473 1 75 ALA H 1 78 ALA H . . 5.350 5.482 5.380 5.590 0.240 6 0 "[ . 1 .]" 1
474 1 75 ALA HA 1 76 LYS H . . 4.140 3.497 3.479 3.540 . 0 0 "[ . 1 .]" 1
475 1 76 LYS H 1 77 PHE H . . 3.850 2.796 2.722 2.876 . 0 0 "[ . 1 .]" 1
476 1 76 LYS H 1 78 ALA H . . 4.510 4.387 4.282 4.488 . 0 0 "[ . 1 .]" 1
477 1 76 LYS HA 1 78 ALA H . . 3.940 3.984 3.827 4.140 0.200 14 0 "[ . 1 .]" 1
478 1 76 LYS HA 1 79 GLU H . . 4.210 3.203 3.076 3.271 . 0 0 "[ . 1 .]" 1
479 1 77 PHE H 1 78 ALA H . . 3.630 2.826 2.711 2.889 . 0 0 "[ . 1 .]" 1
480 1 77 PHE H 1 79 GLU H . . 5.150 4.276 3.939 4.371 . 0 0 "[ . 1 .]" 1
481 1 77 PHE H 1 80 LEU HA . . 6.250 6.528 6.467 6.687 0.437 14 0 "[ . 1 .]" 1
482 1 77 PHE HA 1 78 ALA H . . 3.770 3.519 3.502 3.532 . 0 0 "[ . 1 .]" 1
483 1 77 PHE HA 1 79 GLU H . . 4.610 4.284 4.211 4.495 . 0 0 "[ . 1 .]" 1
484 1 77 PHE HA 1 80 LEU H . . 5.550 3.236 3.144 3.750 . 0 0 "[ . 1 .]" 1
485 1 77 PHE HA 1 81 LEU H . . 5.440 4.545 4.094 5.223 . 0 0 "[ . 1 .]" 1
486 1 77 PHE HB2 1 78 ALA H . . 3.650 3.172 2.625 3.454 . 0 0 "[ . 1 .]" 1
487 1 77 PHE HB2 1 79 GLU H . . 5.190 5.361 5.036 5.494 0.304 7 0 "[ . 1 .]" 1
488 1 77 PHE HB3 1 78 ALA H . . 3.490 3.105 2.758 3.689 0.199 10 0 "[ . 1 .]" 1
489 1 77 PHE QD 1 78 ALA H . . 5.220 4.540 4.340 4.664 . 0 0 "[ . 1 .]" 1
490 1 78 ALA H 1 79 GLU H . . 3.550 2.631 2.340 2.708 . 0 0 "[ . 1 .]" 1
491 1 78 ALA H 1 79 GLU HA . . 5.430 5.263 5.014 5.325 . 0 0 "[ . 1 .]" 1
492 1 78 ALA H 1 79 GLU HB3 . . 4.580 4.705 4.446 4.774 0.194 7 0 "[ . 1 .]" 1
493 1 78 ALA H 1 81 LEU H . . 5.240 5.431 5.262 5.574 0.334 4 0 "[ . 1 .]" 1
494 1 78 ALA HA 1 79 GLU H . . 3.710 3.524 3.498 3.538 . 0 0 "[ . 1 .]" 1
495 1 78 ALA MB 1 79 GLU H . . 2.940 2.674 2.576 2.840 . 0 0 "[ . 1 .]" 1
496 1 79 GLU H 1 80 LEU H . . 3.170 2.292 2.257 2.408 . 0 0 "[ . 1 .]" 1
497 1 79 GLU H 1 80 LEU HB2 . . 5.260 4.270 4.037 4.746 . 0 0 "[ . 1 .]" 1
498 1 79 GLU H 1 81 LEU H . . 4.860 4.433 4.299 4.554 . 0 0 "[ . 1 .]" 1
499 1 79 GLU H 1 83 GLN H . . 5.920 5.993 5.958 6.050 0.130 1 0 "[ . 1 .]" 1
500 1 79 GLU HA 1 81 LEU H . . 5.240 4.159 3.951 4.427 . 0 0 "[ . 1 .]" 1
501 1 80 LEU H 1 82 GLU H . . 4.050 4.070 3.801 4.227 0.177 15 0 "[ . 1 .]" 1
502 1 80 LEU HA 1 81 LEU H . . 3.800 3.547 3.526 3.563 . 0 0 "[ . 1 .]" 1
503 1 80 LEU HA 1 83 GLN H . . 4.110 3.257 3.008 3.619 . 0 0 "[ . 1 .]" 1
504 1 80 LEU HB2 1 81 LEU H . . 3.720 3.226 2.468 3.882 0.162 12 0 "[ . 1 .]" 1
505 1 81 LEU H 1 82 GLU H . . 3.490 2.656 2.454 2.828 . 0 0 "[ . 1 .]" 1
506 1 81 LEU H 1 82 GLU HB2 . . 5.510 4.932 4.685 5.140 . 0 0 "[ . 1 .]" 1
507 1 81 LEU H 1 83 GLN H . . 4.290 4.077 3.928 4.274 . 0 0 "[ . 1 .]" 1
508 1 81 LEU H 1 83 GLN HB2 . . 5.390 5.255 4.870 5.440 0.050 9 0 "[ . 1 .]" 1
509 1 81 LEU HA 1 82 GLU H . . 3.772 3.487 3.410 3.523 . 0 0 "[ . 1 .]" 1
510 1 81 LEU HA 1 83 GLN H . . 4.710 4.415 4.035 4.725 0.015 9 0 "[ . 1 .]" 1
511 1 81 LEU HA 1 84 GLN H . . 5.120 4.126 3.651 4.425 . 0 0 "[ . 1 .]" 1
512 1 82 GLU H 1 83 GLN H . . 3.540 2.347 2.281 2.557 . 0 0 "[ . 1 .]" 1
513 1 82 GLU H 1 84 GLN H . . 4.560 4.289 3.738 4.690 0.130 1 0 "[ . 1 .]" 1
514 1 82 GLU H 1 85 LYS H . . 5.710 5.260 4.918 5.724 0.014 4 0 "[ . 1 .]" 1
515 1 82 GLU HA 1 83 GLN H . . 3.710 3.494 3.441 3.554 . 0 0 "[ . 1 .]" 1
516 1 82 GLU HA 1 85 LYS H . . 4.290 3.773 3.482 4.071 . 0 0 "[ . 1 .]" 1
517 1 82 GLU HG2 1 83 GLN H . . 4.430 4.285 3.965 4.425 . 0 0 "[ . 1 .]" 1
518 1 84 GLN H 1 85 LYS H . . 3.610 2.710 2.468 3.191 . 0 0 "[ . 1 .]" 1
519 1 84 GLN H 1 87 ALA H . . 4.980 4.779 4.378 5.002 0.022 4 0 "[ . 1 .]" 1
520 1 84 GLN HA 1 85 LYS H . . 3.950 3.540 3.487 3.566 . 0 0 "[ . 1 .]" 1
521 1 84 GLN HA 1 86 ASN H . . 5.040 4.585 3.944 5.018 . 0 0 "[ . 1 .]" 1
522 1 84 GLN HA 1 87 ALA H . . 5.440 3.641 2.979 4.349 . 0 0 "[ . 1 .]" 1
523 1 84 GLN HB2 1 85 LYS H . . 4.640 3.490 2.554 4.076 . 0 0 "[ . 1 .]" 1
524 1 84 GLN HG2 1 85 LYS H . . 5.140 4.299 2.171 4.959 . 0 0 "[ . 1 .]" 1
525 1 85 LYS H 1 86 ASN HA . . 5.520 5.307 4.979 5.603 0.083 7 0 "[ . 1 .]" 1
526 1 85 LYS H 1 87 ALA H . . 4.510 4.119 3.807 4.512 0.002 12 0 "[ . 1 .]" 1
527 1 85 LYS HA 1 86 ASN H . . 4.600 3.541 3.498 3.572 . 0 0 "[ . 1 .]" 1
528 1 86 ASN H 1 87 ALA H . . 4.970 2.695 2.225 2.936 . 0 0 "[ . 1 .]" 1
529 1 86 ASN HA 1 87 ALA H . . 4.470 3.523 3.485 3.567 . 0 0 "[ . 1 .]" 1
530 1 86 ASN HB2 1 87 ALA H . . 5.510 3.597 2.497 4.102 . 0 0 "[ . 1 .]" 1
531 1 86 ASN HB3 1 87 ALA H . . 5.770 2.840 2.273 3.560 . 0 0 "[ . 1 .]" 1
532 1 87 ALA HA 1 89 PHE H . . 4.010 3.970 3.543 4.047 0.037 6 0 "[ . 1 .]" 1
533 1 88 GLN HB2 1 89 PHE H . . 5.080 4.192 3.367 4.446 . 0 0 "[ . 1 .]" 1
534 1 90 PRO HA 1 91 GLY H . . 4.690 2.555 2.169 3.570 . 0 0 "[ . 1 .]" 1
535 1 91 GLY HA2 1 92 LYS H . . 3.770 3.031 2.140 3.558 . 0 0 "[ . 1 .]" 1
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