NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560477 |
2m5v   |
18242 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5v
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 902
_Distance_constraint_stats_list.Viol_count 1610
_Distance_constraint_stats_list.Viol_total 1984.069
_Distance_constraint_stats_list.Viol_max 0.498
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0616
_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 0.168 0.082 19 0 "[ . 1 . 2]"
1 3 MET 0.168 0.082 19 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ARG 0.643 0.112 17 0 "[ . 1 . 2]"
1 10 LYS 1.293 0.138 2 0 "[ . 1 . 2]"
1 11 PRO 2.047 0.234 17 0 "[ . 1 . 2]"
1 12 ARG 1.453 0.147 4 0 "[ . 1 . 2]"
1 13 GLU 0.297 0.087 17 0 "[ . 1 . 2]"
1 14 ALA 0.230 0.229 17 0 "[ . 1 . 2]"
1 15 LEU 1.228 0.204 17 0 "[ . 1 . 2]"
1 16 LEU 3.197 0.206 16 0 "[ . 1 . 2]"
1 17 TRP 0.277 0.087 17 0 "[ . 1 . 2]"
1 18 ALA 2.820 0.301 16 0 "[ . 1 . 2]"
1 19 LEU 2.735 0.301 16 0 "[ . 1 . 2]"
1 20 SER 2.311 0.206 16 0 "[ . 1 . 2]"
1 21 ASP 0.824 0.067 11 0 "[ . 1 . 2]"
1 22 LEU 4.980 0.166 3 0 "[ . 1 . 2]"
1 23 GLU 3.274 0.184 3 0 "[ . 1 . 2]"
1 24 GLU 0.008 0.004 11 0 "[ . 1 . 2]"
1 25 ASN 2.183 0.209 11 0 "[ . 1 . 2]"
1 26 ASP 9.217 0.299 15 0 "[ . 1 . 2]"
1 27 PHE 1.008 0.199 11 0 "[ . 1 . 2]"
1 28 LYS 1.569 0.498 3 0 "[ . 1 . 2]"
1 29 LYS 3.633 0.209 11 0 "[ . 1 . 2]"
1 30 LEU 2.806 0.199 11 0 "[ . 1 . 2]"
1 31 LYS 7.423 0.264 13 0 "[ . 1 . 2]"
1 32 PHE 4.516 0.264 13 0 "[ . 1 . 2]"
1 33 TYR 1.124 0.088 12 0 "[ . 1 . 2]"
1 34 LEU 0.108 0.048 18 0 "[ . 1 . 2]"
1 35 ARG 4.504 0.259 9 0 "[ . 1 . 2]"
1 36 ASP 3.043 0.208 16 0 "[ . 1 . 2]"
1 37 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 THR 0.137 0.050 15 0 "[ . 1 . 2]"
1 39 LEU 2.730 0.240 11 0 "[ . 1 . 2]"
1 40 SER 0.019 0.019 4 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLN 0.446 0.092 13 0 "[ . 1 . 2]"
1 45 PRO 0.308 0.100 11 0 "[ . 1 . 2]"
1 46 LEU 0.584 0.100 11 0 "[ . 1 . 2]"
1 47 ALA 0.357 0.060 15 0 "[ . 1 . 2]"
1 48 ARG 0.593 0.088 5 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.802 0.098 18 0 "[ . 1 . 2]"
1 51 LEU 2.991 0.125 6 0 "[ . 1 . 2]"
1 52 GLU 0.622 0.088 5 0 "[ . 1 . 2]"
1 53 GLY 0.054 0.018 14 0 "[ . 1 . 2]"
1 54 LEU 2.908 0.198 10 0 "[ . 1 . 2]"
1 55 ILE 2.123 0.304 19 0 "[ . 1 . 2]"
1 56 PRO 0.425 0.065 14 0 "[ . 1 . 2]"
1 57 VAL 1.629 0.103 10 0 "[ . 1 . 2]"
1 58 ASP 6.604 0.304 19 0 "[ . 1 . 2]"
1 59 LEU 2.445 0.091 8 0 "[ . 1 . 2]"
1 60 ALA 1.168 0.219 10 0 "[ . 1 . 2]"
1 61 GLU 1.904 0.219 10 0 "[ . 1 . 2]"
1 62 LEU 2.156 0.172 16 0 "[ . 1 . 2]"
1 63 LEU 0.834 0.096 19 0 "[ . 1 . 2]"
1 64 ILE 0.058 0.019 18 0 "[ . 1 . 2]"
1 65 SER 0.490 0.079 3 0 "[ . 1 . 2]"
1 66 LYS 0.593 0.083 19 0 "[ . 1 . 2]"
1 67 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.557 0.083 19 0 "[ . 1 . 2]"
1 69 GLU 0.598 0.040 3 0 "[ . 1 . 2]"
1 70 LYS 6.124 0.315 14 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 4.053 0.205 8 0 "[ . 1 . 2]"
1 73 VAL 5.731 0.315 14 0 "[ . 1 . 2]"
1 74 LYS 2.084 0.180 6 0 "[ . 1 . 2]"
1 75 VAL 8.584 0.240 11 0 "[ . 1 . 2]"
1 76 VAL 5.440 0.205 8 0 "[ . 1 . 2]"
1 77 LEU 1.084 0.084 20 0 "[ . 1 . 2]"
1 78 LYS 2.400 0.186 9 0 "[ . 1 . 2]"
1 79 GLY 3.783 0.192 11 0 "[ . 1 . 2]"
1 80 LEU 2.164 0.117 12 0 "[ . 1 . 2]"
1 81 LYS 1.931 0.205 11 0 "[ . 1 . 2]"
1 82 VAL 4.847 0.409 19 0 "[ . 1 . 2]"
1 83 MET 5.759 0.409 19 0 "[ . 1 . 2]"
1 84 ASN 1.712 0.205 11 0 "[ . 1 . 2]"
1 85 LEU 6.120 0.299 15 0 "[ . 1 . 2]"
1 86 LEU 0.121 0.046 9 0 "[ . 1 . 2]"
1 87 GLU 0.289 0.058 8 0 "[ . 1 . 2]"
1 88 LEU 6.514 0.206 10 0 "[ . 1 . 2]"
1 89 VAL 1.079 0.107 10 0 "[ . 1 . 2]"
1 90 ASP 2.175 0.206 10 0 "[ . 1 . 2]"
1 91 GLN 0.185 0.178 14 0 "[ . 1 . 2]"
1 92 LEU 6.439 0.172 2 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 HIS 1.306 0.101 20 0 "[ . 1 . 2]"
1 95 ILE 1.569 0.234 17 0 "[ . 1 . 2]"
1 96 CYS 1.381 0.142 17 0 "[ . 1 . 2]"
1 97 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ARG 1.572 0.155 7 0 "[ . 1 . 2]"
1 102 GLU 0.004 0.004 2 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 2 ALA HA 1 3 MET HA . . 4.460 4.432 4.369 4.542 0.082 19 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 MET QG . . 5.060 4.357 2.884 4.966 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET QB 1 4 ALA MB . . 5.330 3.985 3.031 4.978 . 0 0 "[ . 1 . 2]" 1
4 1 4 ALA MB 1 5 MET QB . . 5.500 4.380 3.082 5.163 . 0 0 "[ . 1 . 2]" 1
5 1 5 MET HA 1 6 ALA MB . . 4.950 4.078 3.770 4.434 . 0 0 "[ . 1 . 2]" 1
6 1 5 MET QB 1 6 ALA MB . . 5.500 4.139 3.030 4.680 . 0 0 "[ . 1 . 2]" 1
7 1 5 MET ME 1 5 MET QG . . 3.520 2.220 1.967 2.528 . 0 0 "[ . 1 . 2]" 1
8 1 9 ARG H 1 9 ARG QG . . 4.130 3.026 1.902 4.142 0.012 11 0 "[ . 1 . 2]" 1
9 1 9 ARG HA 1 10 LYS H . . 3.440 2.717 2.144 3.552 0.112 3 0 "[ . 1 . 2]" 1
10 1 9 ARG HA 1 95 ILE MG . . 5.110 4.332 2.770 5.204 0.094 17 0 "[ . 1 . 2]" 1
11 1 9 ARG QB 1 10 LYS H . . 4.030 2.898 1.908 3.901 . 0 0 "[ . 1 . 2]" 1
12 1 9 ARG QB 1 95 ILE MG . . 3.960 3.537 2.566 4.072 0.112 17 0 "[ . 1 . 2]" 1
13 1 9 ARG HB2 1 10 LYS H . . 4.670 3.705 3.085 4.337 . 0 0 "[ . 1 . 2]" 1
14 1 9 ARG HB3 1 10 LYS H . . 4.670 3.275 1.917 4.595 . 0 0 "[ . 1 . 2]" 1
15 1 9 ARG QG 1 10 LYS H . . 5.000 3.618 2.005 4.544 . 0 0 "[ . 1 . 2]" 1
16 1 10 LYS H 1 10 LYS QD . . 5.050 3.936 2.163 4.877 . 0 0 "[ . 1 . 2]" 1
17 1 10 LYS H 1 11 PRO QD . . 4.230 3.900 2.354 4.368 0.138 2 0 "[ . 1 . 2]" 1
18 1 10 LYS H 1 95 ILE MG . . 4.160 4.054 3.401 4.246 0.086 4 0 "[ . 1 . 2]" 1
19 1 10 LYS HA 1 10 LYS QD . . 3.840 3.081 2.084 3.975 0.135 17 0 "[ . 1 . 2]" 1
20 1 11 PRO HA 1 14 ALA MB . . 3.770 2.553 2.137 3.999 0.229 17 0 "[ . 1 . 2]" 1
21 1 11 PRO HA 1 95 ILE MG . . 4.010 2.373 1.926 4.244 0.234 17 0 "[ . 1 . 2]" 1
22 1 11 PRO QB 1 14 ALA MB . . 4.600 3.619 1.772 4.501 . 0 0 "[ . 1 . 2]" 1
23 1 11 PRO QB 1 95 ILE MG . . 3.970 3.025 1.812 3.549 . 0 0 "[ . 1 . 2]" 1
24 1 11 PRO QD 1 95 ILE MG . . 3.910 3.561 1.674 4.021 0.111 6 0 "[ . 1 . 2]" 1
25 1 11 PRO O 1 15 LEU H . . 2.500 2.453 2.145 2.704 0.204 17 0 "[ . 1 . 2]" 1
26 1 11 PRO O 1 15 LEU N . . 3.500 3.320 3.076 3.563 0.063 9 0 "[ . 1 . 2]" 1
27 1 12 ARG H 1 12 ARG HB2 . . 3.640 2.526 2.063 3.588 . 0 0 "[ . 1 . 2]" 1
28 1 12 ARG H 1 12 ARG QB . . 3.010 2.314 2.043 2.646 . 0 0 "[ . 1 . 2]" 1
29 1 12 ARG H 1 12 ARG HB3 . . 3.640 3.195 2.461 3.605 . 0 0 "[ . 1 . 2]" 1
30 1 12 ARG H 1 12 ARG QG . . 4.210 2.857 1.918 3.967 . 0 0 "[ . 1 . 2]" 1
31 1 12 ARG H 1 13 GLU H . . 3.740 2.776 2.550 2.872 . 0 0 "[ . 1 . 2]" 1
32 1 12 ARG QB 1 13 GLU H . . 3.230 2.600 2.380 3.247 0.017 8 0 "[ . 1 . 2]" 1
33 1 12 ARG QB 1 13 GLU QG . . 4.140 3.736 3.079 4.178 0.038 6 0 "[ . 1 . 2]" 1
34 1 12 ARG HB2 1 13 GLU H . . 3.910 3.017 2.422 3.868 . 0 0 "[ . 1 . 2]" 1
35 1 12 ARG HB3 1 13 GLU H . . 3.910 3.188 2.447 3.958 0.048 19 0 "[ . 1 . 2]" 1
36 1 12 ARG QG 1 13 GLU H . . 4.340 3.748 1.845 4.383 0.043 6 0 "[ . 1 . 2]" 1
37 1 12 ARG O 1 16 LEU H . . 2.500 2.551 2.451 2.647 0.147 4 0 "[ . 1 . 2]" 1
38 1 12 ARG O 1 16 LEU N . . 3.500 3.475 3.386 3.546 0.046 4 0 "[ . 1 . 2]" 1
39 1 13 GLU H 1 13 GLU QB . . 3.310 2.225 2.050 2.581 . 0 0 "[ . 1 . 2]" 1
40 1 13 GLU H 1 16 LEU QD . . 4.380 4.013 3.621 4.218 . 0 0 "[ . 1 . 2]" 1
41 1 13 GLU HA 1 13 GLU QG . . 3.470 2.254 2.034 2.517 . 0 0 "[ . 1 . 2]" 1
42 1 13 GLU HA 1 16 LEU QD . . 3.530 2.203 1.824 2.493 . 0 0 "[ . 1 . 2]" 1
43 1 13 GLU QB 1 16 LEU H . . 5.130 4.918 4.761 5.027 . 0 0 "[ . 1 . 2]" 1
44 1 13 GLU QB 1 16 LEU QD . . 4.180 3.727 2.847 4.055 . 0 0 "[ . 1 . 2]" 1
45 1 13 GLU QB 1 16 LEU HG . . 5.340 4.744 3.602 5.361 0.021 9 0 "[ . 1 . 2]" 1
46 1 13 GLU QG 1 16 LEU QD . . 3.380 2.775 2.112 3.234 . 0 0 "[ . 1 . 2]" 1
47 1 13 GLU O 1 17 TRP H . . 2.500 2.182 2.013 2.587 0.087 17 0 "[ . 1 . 2]" 1
48 1 13 GLU O 1 17 TRP N . . 3.500 3.080 2.896 3.340 . 0 0 "[ . 1 . 2]" 1
49 1 14 ALA HA 1 16 LEU H . . 4.670 4.356 4.068 4.445 . 0 0 "[ . 1 . 2]" 1
50 1 14 ALA HA 1 17 TRP HB2 . . 4.140 3.429 2.769 3.993 . 0 0 "[ . 1 . 2]" 1
51 1 14 ALA HA 1 17 TRP QB . . 3.570 2.974 2.605 3.254 . 0 0 "[ . 1 . 2]" 1
52 1 14 ALA HA 1 17 TRP HB3 . . 4.140 3.442 2.648 4.085 . 0 0 "[ . 1 . 2]" 1
53 1 14 ALA MB 1 15 LEU H . . 3.200 2.631 2.480 2.803 . 0 0 "[ . 1 . 2]" 1
54 1 14 ALA MB 1 15 LEU HA . . 3.920 3.728 3.652 3.835 . 0 0 "[ . 1 . 2]" 1
55 1 14 ALA MB 1 15 LEU QB . . 4.080 3.795 3.683 3.897 . 0 0 "[ . 1 . 2]" 1
56 1 14 ALA MB 1 95 ILE HB . . 4.140 3.012 2.636 3.708 . 0 0 "[ . 1 . 2]" 1
57 1 14 ALA MB 1 95 ILE MD . . 4.050 2.601 1.762 4.051 0.001 14 0 "[ . 1 . 2]" 1
58 1 14 ALA O 1 18 ALA H . . 2.500 1.969 1.727 2.448 . 0 0 "[ . 1 . 2]" 1
59 1 14 ALA O 1 18 ALA N . . 3.500 2.811 2.650 3.282 . 0 0 "[ . 1 . 2]" 1
60 1 15 LEU H 1 15 LEU QB . . 2.880 2.205 2.089 2.373 . 0 0 "[ . 1 . 2]" 1
61 1 15 LEU H 1 15 LEU MD1 . . 4.920 4.171 3.985 4.327 . 0 0 "[ . 1 . 2]" 1
62 1 15 LEU H 1 15 LEU QD . . 4.140 3.412 2.825 3.740 . 0 0 "[ . 1 . 2]" 1
63 1 15 LEU H 1 15 LEU MD2 . . 4.920 3.672 2.884 4.167 . 0 0 "[ . 1 . 2]" 1
64 1 15 LEU H 1 16 LEU H . . 3.810 2.599 2.434 2.783 . 0 0 "[ . 1 . 2]" 1
65 1 15 LEU H 1 92 LEU MD2 . . 3.890 3.629 3.405 3.944 0.054 17 0 "[ . 1 . 2]" 1
66 1 15 LEU HA 1 18 ALA H . . 3.820 3.474 3.325 3.674 . 0 0 "[ . 1 . 2]" 1
67 1 15 LEU HA 1 18 ALA MB . . 4.080 2.553 2.361 2.902 . 0 0 "[ . 1 . 2]" 1
68 1 15 LEU HA 1 92 LEU QB . . 5.070 4.601 3.685 4.975 . 0 0 "[ . 1 . 2]" 1
69 1 15 LEU HA 1 92 LEU HG . . 4.070 3.685 3.297 4.080 0.010 20 0 "[ . 1 . 2]" 1
70 1 15 LEU QB 1 73 VAL QG . . 4.260 1.789 1.674 1.924 . 0 0 "[ . 1 . 2]" 1
71 1 15 LEU QD 1 16 LEU H . . 4.480 3.272 2.776 3.838 . 0 0 "[ . 1 . 2]" 1
72 1 15 LEU QD 1 73 VAL H . . 4.250 3.747 3.133 4.174 . 0 0 "[ . 1 . 2]" 1
73 1 15 LEU QD 1 73 VAL HA . . 3.310 2.607 1.893 3.385 0.075 6 0 "[ . 1 . 2]" 1
74 1 15 LEU QD 1 73 VAL QG . . 3.290 1.890 1.653 2.270 . 0 0 "[ . 1 . 2]" 1
75 1 15 LEU O 1 19 LEU H . . 2.500 1.979 1.880 2.225 . 0 0 "[ . 1 . 2]" 1
76 1 15 LEU O 1 19 LEU N . . 3.500 2.899 2.778 3.202 . 0 0 "[ . 1 . 2]" 1
77 1 16 LEU H 1 16 LEU QB . . 3.330 2.598 2.443 2.740 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU H 1 16 LEU MD1 . . 3.910 3.499 3.278 3.699 . 0 0 "[ . 1 . 2]" 1
79 1 16 LEU H 1 16 LEU QD . . 3.200 2.858 2.389 3.097 . 0 0 "[ . 1 . 2]" 1
80 1 16 LEU H 1 16 LEU MD2 . . 3.910 3.064 2.425 3.406 . 0 0 "[ . 1 . 2]" 1
81 1 16 LEU H 1 16 LEU HG . . 3.570 1.999 1.850 2.346 . 0 0 "[ . 1 . 2]" 1
82 1 16 LEU H 1 17 TRP H . . 3.520 2.583 2.453 2.644 . 0 0 "[ . 1 . 2]" 1
83 1 16 LEU H 1 17 TRP QB . . 4.880 4.339 4.207 4.444 . 0 0 "[ . 1 . 2]" 1
84 1 16 LEU HA 1 16 LEU MD1 . . 4.480 3.892 3.406 3.981 . 0 0 "[ . 1 . 2]" 1
85 1 16 LEU HA 1 16 LEU QD . . 3.080 2.429 2.141 3.274 0.194 17 0 "[ . 1 . 2]" 1
86 1 16 LEU HA 1 16 LEU MD2 . . 4.480 2.530 2.151 4.120 . 0 0 "[ . 1 . 2]" 1
87 1 16 LEU QB 1 17 TRP H . . 3.590 2.622 2.427 3.560 . 0 0 "[ . 1 . 2]" 1
88 1 16 LEU QB 1 57 VAL HA . . 4.660 3.361 2.559 3.799 . 0 0 "[ . 1 . 2]" 1
89 1 16 LEU QD 1 17 TRP H . . 4.540 3.788 2.424 4.060 . 0 0 "[ . 1 . 2]" 1
90 1 16 LEU QD 1 57 VAL HA . . 3.190 1.857 1.758 2.082 . 0 0 "[ . 1 . 2]" 1
91 1 16 LEU QD 1 60 ALA MB . . 3.160 2.010 1.776 3.225 0.065 17 0 "[ . 1 . 2]" 1
92 1 16 LEU O 1 20 SER H . . 2.500 2.572 2.520 2.706 0.206 16 0 "[ . 1 . 2]" 1
93 1 16 LEU O 1 20 SER N . . 3.500 3.301 3.231 3.396 . 0 0 "[ . 1 . 2]" 1
94 1 17 TRP H 1 17 TRP HB2 . . 3.300 2.255 2.093 2.614 . 0 0 "[ . 1 . 2]" 1
95 1 17 TRP H 1 17 TRP QB . . 2.880 2.160 2.071 2.275 . 0 0 "[ . 1 . 2]" 1
96 1 17 TRP H 1 17 TRP HB3 . . 3.300 2.957 2.478 3.299 . 0 0 "[ . 1 . 2]" 1
97 1 17 TRP QB 1 18 ALA H . . 4.150 2.820 2.726 3.015 . 0 0 "[ . 1 . 2]" 1
98 1 17 TRP O 1 21 ASP H . . 2.500 2.439 2.314 2.559 0.059 10 0 "[ . 1 . 2]" 1
99 1 17 TRP O 1 21 ASP N . . 3.500 2.991 2.875 3.166 . 0 0 "[ . 1 . 2]" 1
100 1 18 ALA H 1 18 ALA MB . . 2.750 2.197 2.050 2.256 . 0 0 "[ . 1 . 2]" 1
101 1 18 ALA H 1 19 LEU H . . 3.600 2.737 2.644 2.788 . 0 0 "[ . 1 . 2]" 1
102 1 18 ALA H 1 92 LEU MD2 . . 4.580 4.414 4.191 4.624 0.044 20 0 "[ . 1 . 2]" 1
103 1 18 ALA MB 1 19 LEU HA . . 4.080 3.699 3.598 3.758 . 0 0 "[ . 1 . 2]" 1
104 1 18 ALA MB 1 19 LEU HG . . 4.770 4.420 4.079 5.071 0.301 16 0 "[ . 1 . 2]" 1
105 1 18 ALA MB 1 76 VAL HB . . 5.210 5.074 4.849 5.262 0.052 17 0 "[ . 1 . 2]" 1
106 1 18 ALA MB 1 76 VAL MG1 . . 4.270 3.100 2.896 3.213 . 0 0 "[ . 1 . 2]" 1
107 1 18 ALA MB 1 76 VAL QG . . 3.680 3.038 2.856 3.138 . 0 0 "[ . 1 . 2]" 1
108 1 18 ALA MB 1 76 VAL MG2 . . 4.270 4.367 4.326 4.422 0.152 14 0 "[ . 1 . 2]" 1
109 1 18 ALA MB 1 92 LEU HA . . 3.940 3.876 3.585 4.049 0.109 20 0 "[ . 1 . 2]" 1
110 1 18 ALA MB 1 92 LEU QB . . 4.270 2.150 1.940 2.311 . 0 0 "[ . 1 . 2]" 1
111 1 18 ALA MB 1 92 LEU MD1 . . 3.680 3.429 3.247 3.659 . 0 0 "[ . 1 . 2]" 1
112 1 18 ALA MB 1 92 LEU HG . . 3.470 2.205 2.005 2.511 . 0 0 "[ . 1 . 2]" 1
113 1 19 LEU H 1 19 LEU QB . . 3.420 2.312 2.219 2.527 . 0 0 "[ . 1 . 2]" 1
114 1 19 LEU H 1 19 LEU MD1 . . 3.830 3.750 1.806 3.991 0.161 14 0 "[ . 1 . 2]" 1
115 1 19 LEU H 1 19 LEU QD . . 3.240 3.057 1.804 3.199 . 0 0 "[ . 1 . 2]" 1
116 1 19 LEU H 1 19 LEU MD2 . . 3.830 3.344 3.175 4.057 0.227 16 0 "[ . 1 . 2]" 1
117 1 19 LEU H 1 19 LEU HG . . 3.380 2.611 2.064 3.643 0.263 16 0 "[ . 1 . 2]" 1
118 1 19 LEU H 1 20 SER H . . 3.640 2.743 2.643 2.806 . 0 0 "[ . 1 . 2]" 1
119 1 19 LEU HA 1 21 ASP H . . 4.230 4.072 3.996 4.157 . 0 0 "[ . 1 . 2]" 1
120 1 19 LEU HA 1 22 LEU H . . 4.890 4.016 3.721 4.221 . 0 0 "[ . 1 . 2]" 1
121 1 19 LEU HA 1 22 LEU HB3 . . 5.190 5.206 4.991 5.329 0.139 11 0 "[ . 1 . 2]" 1
122 1 19 LEU HA 1 22 LEU QD . . 3.760 1.944 1.863 2.037 . 0 0 "[ . 1 . 2]" 1
123 1 19 LEU QB 1 20 SER H . . 3.880 3.579 3.535 3.680 . 0 0 "[ . 1 . 2]" 1
124 1 19 LEU HB2 1 20 SER H . . 4.420 4.075 3.851 4.318 . 0 0 "[ . 1 . 2]" 1
125 1 19 LEU HB3 1 20 SER H . . 4.420 3.971 3.891 4.141 . 0 0 "[ . 1 . 2]" 1
126 1 19 LEU QD 1 20 SER H . . 3.610 2.611 1.806 2.840 . 0 0 "[ . 1 . 2]" 1
127 1 19 LEU QD 1 20 SER HA . . 3.440 2.496 2.366 2.808 . 0 0 "[ . 1 . 2]" 1
128 1 19 LEU QD 1 20 SER QB . . 3.320 2.373 2.085 2.664 . 0 0 "[ . 1 . 2]" 1
129 1 19 LEU QD 1 21 ASP H . . 4.510 4.208 3.601 4.330 . 0 0 "[ . 1 . 2]" 1
130 1 19 LEU QD 1 56 PRO HA . . 3.620 2.140 1.864 2.807 . 0 0 "[ . 1 . 2]" 1
131 1 19 LEU QD 1 56 PRO HB3 . . 2.950 1.898 1.843 1.977 . 0 0 "[ . 1 . 2]" 1
132 1 19 LEU QD 1 56 PRO QD . . 4.550 3.742 3.531 4.040 . 0 0 "[ . 1 . 2]" 1
133 1 20 SER H 1 20 SER QB . . 3.660 2.319 2.144 2.550 . 0 0 "[ . 1 . 2]" 1
134 1 20 SER H 1 21 ASP H . . 3.420 2.265 2.235 2.305 . 0 0 "[ . 1 . 2]" 1
135 1 20 SER HA 1 56 PRO HB3 . . 3.890 3.887 3.715 3.955 0.065 14 0 "[ . 1 . 2]" 1
136 1 20 SER QB 1 22 LEU QD . . 4.970 4.961 4.815 5.045 0.075 15 0 "[ . 1 . 2]" 1
137 1 21 ASP H 1 21 ASP HB2 . . 3.210 2.174 2.073 2.732 . 0 0 "[ . 1 . 2]" 1
138 1 21 ASP H 1 21 ASP QB . . 2.760 2.090 2.052 2.259 . 0 0 "[ . 1 . 2]" 1
139 1 21 ASP H 1 21 ASP HB3 . . 3.210 3.112 2.372 3.277 0.067 11 0 "[ . 1 . 2]" 1
140 1 21 ASP H 1 22 LEU H . . 3.080 2.563 2.516 2.600 . 0 0 "[ . 1 . 2]" 1
141 1 21 ASP H 1 22 LEU QD . . 3.680 3.232 3.115 3.326 . 0 0 "[ . 1 . 2]" 1
142 1 21 ASP HA 1 22 LEU QD . . 4.610 4.504 4.336 4.651 0.041 8 0 "[ . 1 . 2]" 1
143 1 21 ASP QB 1 22 LEU H . . 4.210 3.090 2.766 3.434 . 0 0 "[ . 1 . 2]" 1
144 1 21 ASP QB 1 22 LEU QD . . 3.600 2.826 2.524 3.082 . 0 0 "[ . 1 . 2]" 1
145 1 21 ASP QB 1 88 LEU HG . . 4.190 1.958 1.846 2.356 . 0 0 "[ . 1 . 2]" 1
146 1 22 LEU H 1 22 LEU HB2 . . 3.900 3.539 3.485 3.601 . 0 0 "[ . 1 . 2]" 1
147 1 22 LEU H 1 22 LEU HB3 . . 3.500 3.238 2.974 3.467 . 0 0 "[ . 1 . 2]" 1
148 1 22 LEU H 1 22 LEU MD1 . . 4.240 3.571 3.503 3.700 . 0 0 "[ . 1 . 2]" 1
149 1 22 LEU H 1 22 LEU QD . . 3.490 2.342 1.989 2.778 . 0 0 "[ . 1 . 2]" 1
150 1 22 LEU H 1 22 LEU MD2 . . 4.240 2.384 1.999 2.913 . 0 0 "[ . 1 . 2]" 1
151 1 22 LEU H 1 51 LEU QD . . 4.080 3.683 3.294 4.004 . 0 0 "[ . 1 . 2]" 1
152 1 22 LEU HA 1 22 LEU QD . . 3.740 3.281 3.227 3.336 . 0 0 "[ . 1 . 2]" 1
153 1 22 LEU HA 1 22 LEU HG . . 4.180 3.620 3.561 3.663 . 0 0 "[ . 1 . 2]" 1
154 1 22 LEU HA 1 23 GLU H . . 2.900 2.347 2.265 2.371 . 0 0 "[ . 1 . 2]" 1
155 1 22 LEU HA 1 23 GLU QG . . 4.270 3.940 3.852 4.123 . 0 0 "[ . 1 . 2]" 1
156 1 22 LEU HA 1 26 ASP HB2 . . 4.470 4.535 4.459 4.636 0.166 3 0 "[ . 1 . 2]" 1
157 1 22 LEU HA 1 85 LEU QD . . 3.680 3.128 2.682 3.449 . 0 0 "[ . 1 . 2]" 1
158 1 22 LEU HB2 1 23 GLU HB2 . . 4.400 4.394 4.339 4.441 0.041 20 0 "[ . 1 . 2]" 1
159 1 22 LEU HB2 1 27 PHE H . . 4.120 3.529 3.436 3.662 . 0 0 "[ . 1 . 2]" 1
160 1 22 LEU HB2 1 51 LEU QD . . 3.990 4.052 3.922 4.115 0.125 6 0 "[ . 1 . 2]" 1
161 1 22 LEU HB3 1 22 LEU QD . . 3.060 2.079 1.924 2.108 . 0 0 "[ . 1 . 2]" 1
162 1 22 LEU HB3 1 23 GLU H . . 3.940 3.511 3.434 3.637 . 0 0 "[ . 1 . 2]" 1
163 1 22 LEU HB3 1 26 ASP HB3 . . 4.280 4.235 3.948 4.306 0.026 20 0 "[ . 1 . 2]" 1
164 1 22 LEU QD 1 23 GLU H . . 4.100 3.916 3.792 4.065 . 0 0 "[ . 1 . 2]" 1
165 1 22 LEU QD 1 26 ASP H . . 4.130 4.132 3.882 4.184 0.054 20 0 "[ . 1 . 2]" 1
166 1 22 LEU QD 1 26 ASP HB2 . . 4.760 2.872 2.623 3.096 . 0 0 "[ . 1 . 2]" 1
167 1 22 LEU QD 1 26 ASP HB3 . . 4.720 3.218 2.885 3.385 . 0 0 "[ . 1 . 2]" 1
168 1 22 LEU QD 1 27 PHE H . . 3.590 2.357 2.093 2.530 . 0 0 "[ . 1 . 2]" 1
169 1 22 LEU QD 1 27 PHE HA . . 3.410 2.493 2.293 2.730 . 0 0 "[ . 1 . 2]" 1
170 1 22 LEU QD 1 27 PHE QB . . 3.940 1.737 1.692 1.793 . 0 0 "[ . 1 . 2]" 1
171 1 22 LEU MD1 1 27 PHE HA . . 4.870 2.503 2.301 2.746 . 0 0 "[ . 1 . 2]" 1
172 1 22 LEU MD1 1 27 PHE QB . . 4.480 1.739 1.693 1.795 . 0 0 "[ . 1 . 2]" 1
173 1 22 LEU MD2 1 27 PHE HA . . 4.870 4.731 4.396 4.887 0.017 20 0 "[ . 1 . 2]" 1
174 1 22 LEU MD2 1 27 PHE QB . . 4.480 3.849 3.612 4.101 . 0 0 "[ . 1 . 2]" 1
175 1 22 LEU HG 1 27 PHE QB . . 3.710 3.380 3.047 3.754 0.044 3 0 "[ . 1 . 2]" 1
176 1 22 LEU HG 1 51 LEU QD . . 3.210 3.197 3.026 3.275 0.065 11 0 "[ . 1 . 2]" 1
177 1 23 GLU H 1 23 GLU HB2 . . 3.360 2.356 2.324 2.411 . 0 0 "[ . 1 . 2]" 1
178 1 23 GLU H 1 23 GLU HB3 . . 3.660 3.573 3.567 3.579 . 0 0 "[ . 1 . 2]" 1
179 1 23 GLU H 1 23 GLU QG . . 3.450 2.532 2.347 2.706 . 0 0 "[ . 1 . 2]" 1
180 1 23 GLU H 1 26 ASP HB2 . . 4.160 3.043 2.862 3.238 . 0 0 "[ . 1 . 2]" 1
181 1 23 GLU H 1 51 LEU QD . . 4.350 4.345 4.068 4.422 0.072 15 0 "[ . 1 . 2]" 1
182 1 23 GLU H 1 85 LEU QD . . 4.270 3.841 3.561 4.019 . 0 0 "[ . 1 . 2]" 1
183 1 23 GLU HA 1 23 GLU HG2 . . 3.850 2.560 2.258 3.084 . 0 0 "[ . 1 . 2]" 1
184 1 23 GLU HA 1 23 GLU QG . . 3.330 2.344 2.230 2.417 . 0 0 "[ . 1 . 2]" 1
185 1 23 GLU HA 1 23 GLU HG3 . . 3.850 2.923 2.387 3.472 . 0 0 "[ . 1 . 2]" 1
186 1 23 GLU HA 1 24 GLU H . . 3.010 2.334 2.259 2.447 . 0 0 "[ . 1 . 2]" 1
187 1 23 GLU HA 1 26 ASP HB2 . . 4.970 4.673 4.557 4.793 . 0 0 "[ . 1 . 2]" 1
188 1 23 GLU HB2 1 24 GLU H . . 4.080 3.858 3.666 3.991 . 0 0 "[ . 1 . 2]" 1
189 1 23 GLU HB2 1 25 ASN H . . 4.280 3.552 3.509 3.630 . 0 0 "[ . 1 . 2]" 1
190 1 23 GLU HB2 1 26 ASP H . . 3.540 3.615 3.576 3.724 0.184 3 0 "[ . 1 . 2]" 1
191 1 23 GLU HB3 1 24 GLU H . . 3.570 2.609 2.329 2.814 . 0 0 "[ . 1 . 2]" 1
192 1 23 GLU HB3 1 26 ASP H . . 3.820 3.883 3.845 3.968 0.148 3 0 "[ . 1 . 2]" 1
193 1 23 GLU QG 1 24 GLU H . . 3.920 3.752 3.671 3.924 0.004 4 0 "[ . 1 . 2]" 1
194 1 24 GLU H 1 24 GLU QB . . 3.210 2.488 2.162 2.772 . 0 0 "[ . 1 . 2]" 1
195 1 24 GLU H 1 51 LEU QD . . 4.240 2.769 2.490 3.276 . 0 0 "[ . 1 . 2]" 1
196 1 24 GLU HA 1 24 GLU QG . . 3.680 3.222 2.389 3.462 . 0 0 "[ . 1 . 2]" 1
197 1 24 GLU HA 1 26 ASP H . . 4.510 3.403 3.363 3.424 . 0 0 "[ . 1 . 2]" 1
198 1 24 GLU HA 1 27 PHE H . . 4.030 3.527 3.491 3.568 . 0 0 "[ . 1 . 2]" 1
199 1 24 GLU HA 1 27 PHE QB . . 3.560 3.344 3.084 3.527 . 0 0 "[ . 1 . 2]" 1
200 1 24 GLU QB 1 25 ASN H . . 4.430 3.323 2.699 3.522 . 0 0 "[ . 1 . 2]" 1
201 1 24 GLU QB 1 48 ARG HA . . 3.180 2.716 2.092 3.184 0.004 11 0 "[ . 1 . 2]" 1
202 1 24 GLU O 1 28 LYS H . . 2.500 2.300 2.194 2.419 . 0 0 "[ . 1 . 2]" 1
203 1 24 GLU O 1 28 LYS N . . 3.500 3.206 3.090 3.313 . 0 0 "[ . 1 . 2]" 1
204 1 25 ASN H 1 25 ASN HB2 . . 3.840 2.589 2.093 3.594 . 0 0 "[ . 1 . 2]" 1
205 1 25 ASN H 1 25 ASN QB . . 3.310 2.265 2.071 2.649 . 0 0 "[ . 1 . 2]" 1
206 1 25 ASN H 1 25 ASN HB3 . . 3.840 3.108 2.348 3.607 . 0 0 "[ . 1 . 2]" 1
207 1 25 ASN H 1 26 ASP H . . 3.830 2.658 2.633 2.683 . 0 0 "[ . 1 . 2]" 1
208 1 25 ASN HA 1 28 LYS QB . . 3.470 3.165 3.069 3.504 0.034 3 0 "[ . 1 . 2]" 1
209 1 25 ASN HA 1 29 LYS H . . 4.090 4.193 4.079 4.299 0.209 11 0 "[ . 1 . 2]" 1
210 1 25 ASN HA 1 29 LYS QD . . 3.720 3.326 2.730 3.622 . 0 0 "[ . 1 . 2]" 1
211 1 25 ASN HA 1 29 LYS QE . . 4.350 3.893 2.547 4.342 . 0 0 "[ . 1 . 2]" 1
212 1 25 ASN QB 1 26 ASP H . . 3.860 3.574 3.438 3.895 0.035 15 0 "[ . 1 . 2]" 1
213 1 26 ASP H 1 26 ASP HB2 . . 3.020 2.503 2.425 2.594 . 0 0 "[ . 1 . 2]" 1
214 1 26 ASP H 1 26 ASP HB3 . . 3.670 3.694 3.634 3.737 0.067 12 0 "[ . 1 . 2]" 1
215 1 26 ASP H 1 27 PHE H . . 3.130 2.277 2.241 2.323 . 0 0 "[ . 1 . 2]" 1
216 1 26 ASP H 1 27 PHE QB . . 4.640 3.959 3.861 4.036 . 0 0 "[ . 1 . 2]" 1
217 1 26 ASP H 1 29 LYS H . . 4.930 4.241 4.193 4.312 . 0 0 "[ . 1 . 2]" 1
218 1 26 ASP H 1 51 LEU QD . . 4.790 4.108 3.941 4.436 . 0 0 "[ . 1 . 2]" 1
219 1 26 ASP H 1 85 LEU QD . . 5.400 5.560 5.481 5.699 0.299 15 0 "[ . 1 . 2]" 1
220 1 26 ASP HA 1 29 LYS H . . 4.140 3.643 3.454 3.769 . 0 0 "[ . 1 . 2]" 1
221 1 26 ASP HA 1 29 LYS QB . . 3.300 2.755 2.598 2.883 . 0 0 "[ . 1 . 2]" 1
222 1 26 ASP HA 1 29 LYS QD . . 4.490 3.815 3.416 4.114 . 0 0 "[ . 1 . 2]" 1
223 1 26 ASP HA 1 29 LYS QG . . 4.310 4.115 3.353 4.353 0.043 18 0 "[ . 1 . 2]" 1
224 1 26 ASP HA 1 30 LEU MD2 . . 4.390 3.562 3.163 3.810 . 0 0 "[ . 1 . 2]" 1
225 1 26 ASP HA 1 83 MET ME . . 3.800 1.894 1.800 1.963 . 0 0 "[ . 1 . 2]" 1
226 1 26 ASP HB2 1 27 PHE H . . 3.720 2.331 2.275 2.456 . 0 0 "[ . 1 . 2]" 1
227 1 26 ASP HB2 1 27 PHE HA . . 5.330 4.355 4.207 4.532 . 0 0 "[ . 1 . 2]" 1
228 1 26 ASP HB2 1 30 LEU MD1 . . 5.040 4.829 4.526 5.029 . 0 0 "[ . 1 . 2]" 1
229 1 26 ASP HB2 1 85 LEU QD . . 3.980 3.670 3.587 3.967 . 0 0 "[ . 1 . 2]" 1
230 1 26 ASP HB2 1 85 LEU HG . . 4.930 4.898 4.710 4.992 0.062 8 0 "[ . 1 . 2]" 1
231 1 26 ASP HB3 1 27 PHE H . . 4.090 3.270 3.117 3.407 . 0 0 "[ . 1 . 2]" 1
232 1 26 ASP HB3 1 85 LEU QD . . 4.290 2.704 2.557 3.206 . 0 0 "[ . 1 . 2]" 1
233 1 26 ASP HB3 1 85 LEU HG . . 4.380 4.230 3.705 4.412 0.032 9 0 "[ . 1 . 2]" 1
234 1 26 ASP O 1 30 LEU H . . 2.500 2.434 2.183 2.584 0.084 18 0 "[ . 1 . 2]" 1
235 1 26 ASP O 1 30 LEU N . . 3.500 3.324 3.148 3.444 . 0 0 "[ . 1 . 2]" 1
236 1 27 PHE H 1 27 PHE QB . . 3.030 2.080 2.045 2.231 . 0 0 "[ . 1 . 2]" 1
237 1 27 PHE H 1 28 LYS H . . 3.400 2.694 2.609 2.799 . 0 0 "[ . 1 . 2]" 1
238 1 27 PHE H 1 29 LYS H . . 4.760 4.264 4.182 4.331 . 0 0 "[ . 1 . 2]" 1
239 1 27 PHE HA 1 30 LEU QB . . 4.140 3.657 3.469 3.978 . 0 0 "[ . 1 . 2]" 1
240 1 27 PHE HA 1 30 LEU MD1 . . 3.730 2.221 1.942 2.383 . 0 0 "[ . 1 . 2]" 1
241 1 27 PHE HA 1 30 LEU HG . . 4.250 2.273 2.130 2.354 . 0 0 "[ . 1 . 2]" 1
242 1 27 PHE HA 1 51 LEU QD . . 5.160 4.556 4.225 5.018 . 0 0 "[ . 1 . 2]" 1
243 1 27 PHE QB 1 28 LYS H . . 3.510 3.060 2.359 3.282 . 0 0 "[ . 1 . 2]" 1
244 1 27 PHE QB 1 30 LEU MD1 . . 4.000 3.543 3.351 3.774 . 0 0 "[ . 1 . 2]" 1
245 1 27 PHE QB 1 30 LEU HG . . 4.130 4.172 4.060 4.329 0.199 11 0 "[ . 1 . 2]" 1
246 1 27 PHE QB 1 51 LEU QD . . 3.970 2.278 1.859 2.730 . 0 0 "[ . 1 . 2]" 1
247 1 27 PHE O 1 31 LYS H . . 2.500 2.037 1.955 2.114 . 0 0 "[ . 1 . 2]" 1
248 1 27 PHE O 1 31 LYS N . . 3.500 3.010 2.922 3.093 . 0 0 "[ . 1 . 2]" 1
249 1 28 LYS H 1 28 LYS HB2 . . 3.080 2.680 2.537 2.887 . 0 0 "[ . 1 . 2]" 1
250 1 28 LYS H 1 28 LYS QB . . 2.660 2.242 2.146 2.621 . 0 0 "[ . 1 . 2]" 1
251 1 28 LYS H 1 28 LYS HB3 . . 3.080 2.444 2.214 3.578 0.498 3 0 "[ . 1 . 2]" 1
252 1 28 LYS H 1 29 LYS H . . 3.360 2.681 2.574 2.841 . 0 0 "[ . 1 . 2]" 1
253 1 28 LYS H 1 29 LYS QB . . 4.540 4.328 4.218 4.582 0.042 3 0 "[ . 1 . 2]" 1
254 1 28 LYS H 1 30 LEU H . . 4.240 4.182 4.097 4.343 0.103 11 0 "[ . 1 . 2]" 1
255 1 28 LYS H 1 30 LEU MD1 . . 5.180 5.171 4.867 5.259 0.079 18 0 "[ . 1 . 2]" 1
256 1 28 LYS H 1 51 LEU QD . . 4.470 4.008 3.713 4.434 . 0 0 "[ . 1 . 2]" 1
257 1 28 LYS HA 1 28 LYS QD . . 4.050 3.316 2.077 4.095 0.045 17 0 "[ . 1 . 2]" 1
258 1 28 LYS HA 1 28 LYS QG . . 3.740 2.717 2.436 3.125 . 0 0 "[ . 1 . 2]" 1
259 1 28 LYS HA 1 31 LYS QB . . 3.820 2.658 2.523 2.811 . 0 0 "[ . 1 . 2]" 1
260 1 28 LYS QB 1 29 LYS H . . 3.360 2.571 2.496 2.687 . 0 0 "[ . 1 . 2]" 1
261 1 28 LYS QE 1 46 LEU MD1 . . 4.610 3.328 1.952 4.621 0.011 9 0 "[ . 1 . 2]" 1
262 1 28 LYS QE 1 46 LEU QD . . 3.590 2.621 1.849 3.625 0.035 11 0 "[ . 1 . 2]" 1
263 1 28 LYS QE 1 46 LEU MD2 . . 4.610 3.268 2.136 4.583 . 0 0 "[ . 1 . 2]" 1
264 1 28 LYS QG 1 29 LYS QD . . 3.820 3.494 2.926 3.960 0.140 3 0 "[ . 1 . 2]" 1
265 1 28 LYS QG 1 46 LEU QD . . 3.810 2.748 1.870 3.817 0.007 3 0 "[ . 1 . 2]" 1
266 1 28 LYS O 1 32 PHE H . . 2.500 1.907 1.786 2.102 . 0 0 "[ . 1 . 2]" 1
267 1 28 LYS O 1 32 PHE N . . 3.500 2.733 2.640 2.924 . 0 0 "[ . 1 . 2]" 1
268 1 29 LYS H 1 29 LYS QB . . 3.000 2.076 2.042 2.264 . 0 0 "[ . 1 . 2]" 1
269 1 29 LYS H 1 29 LYS QD . . 3.000 2.557 1.938 2.796 . 0 0 "[ . 1 . 2]" 1
270 1 29 LYS H 1 29 LYS QG . . 3.970 3.726 3.373 3.828 . 0 0 "[ . 1 . 2]" 1
271 1 29 LYS H 1 30 LEU H . . 3.370 2.771 2.712 2.812 . 0 0 "[ . 1 . 2]" 1
272 1 29 LYS H 1 30 LEU MD2 . . 3.890 3.823 3.659 3.953 0.063 15 0 "[ . 1 . 2]" 1
273 1 29 LYS H 1 30 LEU HG . . 4.150 3.885 3.707 3.942 . 0 0 "[ . 1 . 2]" 1
274 1 29 LYS HA 1 32 PHE H . . 3.930 3.753 3.673 3.821 . 0 0 "[ . 1 . 2]" 1
275 1 29 LYS HA 1 32 PHE QB . . 3.850 2.713 2.590 2.832 . 0 0 "[ . 1 . 2]" 1
276 1 29 LYS QB 1 30 LEU HG . . 3.900 3.688 3.614 3.722 . 0 0 "[ . 1 . 2]" 1
277 1 29 LYS QD 1 83 MET ME . . 4.110 3.964 3.463 4.138 0.028 18 0 "[ . 1 . 2]" 1
278 1 29 LYS O 1 33 TYR H . . 2.500 2.552 2.410 2.588 0.088 12 0 "[ . 1 . 2]" 1
279 1 29 LYS O 1 33 TYR N . . 3.500 3.462 3.355 3.502 0.002 15 0 "[ . 1 . 2]" 1
280 1 30 LEU H 1 30 LEU QB . . 3.130 2.815 2.757 2.919 . 0 0 "[ . 1 . 2]" 1
281 1 30 LEU H 1 30 LEU MD1 . . 4.290 3.539 3.408 3.594 . 0 0 "[ . 1 . 2]" 1
282 1 30 LEU H 1 30 LEU HG . . 3.400 1.835 1.672 1.906 . 0 0 "[ . 1 . 2]" 1
283 1 30 LEU H 1 31 LYS H . . 3.620 2.672 2.613 2.757 . 0 0 "[ . 1 . 2]" 1
284 1 30 LEU H 1 32 PHE H . . 4.140 3.772 3.658 3.958 . 0 0 "[ . 1 . 2]" 1
285 1 30 LEU HA 1 30 LEU MD2 . . 2.810 2.431 2.177 2.865 0.055 11 0 "[ . 1 . 2]" 1
286 1 30 LEU QB 1 31 LYS H . . 3.670 2.332 2.247 2.577 . 0 0 "[ . 1 . 2]" 1
287 1 30 LEU MD1 1 31 LYS H . . 4.210 4.022 3.547 4.152 . 0 0 "[ . 1 . 2]" 1
288 1 30 LEU MD1 1 31 LYS QE . . 5.120 4.478 3.526 5.186 0.066 17 0 "[ . 1 . 2]" 1
289 1 30 LEU MD1 1 79 GLY H . . 4.290 3.705 3.223 4.251 . 0 0 "[ . 1 . 2]" 1
290 1 30 LEU MD1 1 79 GLY QA . . 4.050 2.764 2.197 3.479 . 0 0 "[ . 1 . 2]" 1
291 1 30 LEU MD1 1 80 LEU H . . 3.490 2.866 2.696 3.098 . 0 0 "[ . 1 . 2]" 1
292 1 30 LEU MD1 1 80 LEU HA . . 2.830 2.069 1.879 2.635 . 0 0 "[ . 1 . 2]" 1
293 1 30 LEU MD1 1 80 LEU QB . . 3.770 3.138 2.263 3.471 . 0 0 "[ . 1 . 2]" 1
294 1 30 LEU MD1 1 80 LEU HG . . 3.870 2.800 1.930 3.987 0.117 12 0 "[ . 1 . 2]" 1
295 1 30 LEU MD1 1 81 LYS H . . 5.500 4.486 4.340 4.731 . 0 0 "[ . 1 . 2]" 1
296 1 30 LEU HG 1 79 GLY QA . . 4.840 4.611 4.283 4.873 0.033 12 0 "[ . 1 . 2]" 1
297 1 30 LEU HG 1 80 LEU HA . . 5.000 4.733 4.489 5.022 0.022 3 0 "[ . 1 . 2]" 1
298 1 30 LEU HG 1 83 MET ME . . 4.700 4.183 3.065 4.815 0.115 15 0 "[ . 1 . 2]" 1
299 1 30 LEU O 1 34 LEU H . . 2.500 1.755 1.634 1.865 . 0 0 "[ . 1 . 2]" 1
300 1 30 LEU O 1 34 LEU N . . 3.500 2.480 2.409 2.611 . 0 0 "[ . 1 . 2]" 1
301 1 31 LYS H 1 31 LYS QG . . 3.690 2.226 1.999 3.556 . 0 0 "[ . 1 . 2]" 1
302 1 31 LYS H 1 32 PHE H . . 3.270 2.689 2.650 2.738 . 0 0 "[ . 1 . 2]" 1
303 1 31 LYS H 1 75 VAL QG . . 4.870 4.601 4.212 4.894 0.024 11 0 "[ . 1 . 2]" 1
304 1 31 LYS HA 1 31 LYS QD . . 3.970 1.983 1.849 2.367 . 0 0 "[ . 1 . 2]" 1
305 1 31 LYS HA 1 35 ARG H . . 4.020 2.298 2.199 2.400 . 0 0 "[ . 1 . 2]" 1
306 1 31 LYS HA 1 35 ARG QB . . 3.860 1.967 1.754 2.348 . 0 0 "[ . 1 . 2]" 1
307 1 31 LYS HA 1 35 ARG QG . . 4.320 3.443 2.741 4.027 . 0 0 "[ . 1 . 2]" 1
308 1 31 LYS HA 1 39 LEU QD . . 5.060 4.817 4.405 5.082 0.022 10 0 "[ . 1 . 2]" 1
309 1 31 LYS HA 1 75 VAL QG . . 3.200 3.203 3.017 3.349 0.149 8 0 "[ . 1 . 2]" 1
310 1 31 LYS QB 1 32 PHE H . . 3.470 2.848 2.715 2.897 . 0 0 "[ . 1 . 2]" 1
311 1 31 LYS QB 1 32 PHE HA . . 4.140 3.927 3.810 3.949 . 0 0 "[ . 1 . 2]" 1
312 1 31 LYS QB 1 35 ARG HA . . 5.150 5.257 5.032 5.409 0.259 9 0 "[ . 1 . 2]" 1
313 1 31 LYS QB 1 75 VAL QG . . 4.320 4.195 4.065 4.354 0.034 15 0 "[ . 1 . 2]" 1
314 1 31 LYS QD 1 32 PHE H . . 4.740 4.764 4.243 4.864 0.124 8 0 "[ . 1 . 2]" 1
315 1 31 LYS QD 1 35 ARG QG . . 4.250 2.522 1.971 3.988 . 0 0 "[ . 1 . 2]" 1
316 1 31 LYS QD 1 63 LEU HG . . 4.630 3.846 3.072 4.655 0.025 13 0 "[ . 1 . 2]" 1
317 1 31 LYS QD 1 75 VAL MG1 . . 4.140 2.214 1.892 2.617 . 0 0 "[ . 1 . 2]" 1
318 1 31 LYS QD 1 75 VAL QG . . 3.370 2.166 1.890 2.376 . 0 0 "[ . 1 . 2]" 1
319 1 31 LYS QD 1 75 VAL MG2 . . 4.140 3.622 2.716 4.274 0.134 5 0 "[ . 1 . 2]" 1
320 1 31 LYS QE 1 35 ARG QG . . 4.590 3.880 2.460 4.614 0.024 13 0 "[ . 1 . 2]" 1
321 1 31 LYS QE 1 63 LEU QD . . 4.160 2.501 1.729 3.829 . 0 0 "[ . 1 . 2]" 1
322 1 31 LYS QG 1 32 PHE H . . 4.300 4.195 4.029 4.564 0.264 13 0 "[ . 1 . 2]" 1
323 1 31 LYS QG 1 35 ARG H . . 4.890 4.932 4.063 5.064 0.174 12 0 "[ . 1 . 2]" 1
324 1 31 LYS O 1 35 ARG N . . 3.500 3.179 2.713 3.525 0.025 9 0 "[ . 1 . 2]" 1
325 1 32 PHE H 1 32 PHE HB2 . . 3.330 2.579 2.230 2.744 . 0 0 "[ . 1 . 2]" 1
326 1 32 PHE H 1 32 PHE QB . . 2.900 2.238 2.161 2.268 . 0 0 "[ . 1 . 2]" 1
327 1 32 PHE H 1 32 PHE HB3 . . 3.330 2.502 2.336 2.896 . 0 0 "[ . 1 . 2]" 1
328 1 32 PHE H 1 33 TYR H . . 3.560 2.691 2.616 2.817 . 0 0 "[ . 1 . 2]" 1
329 1 32 PHE QB 1 33 TYR H . . 3.050 2.470 2.332 2.645 . 0 0 "[ . 1 . 2]" 1
330 1 32 PHE QB 1 46 LEU QD . . 4.340 3.305 2.339 4.279 . 0 0 "[ . 1 . 2]" 1
331 1 32 PHE O 1 36 ASP N . . 3.500 3.652 3.608 3.708 0.208 16 0 "[ . 1 . 2]" 1
332 1 33 TYR O 1 37 MET H . . 2.500 2.178 2.074 2.317 . 0 0 "[ . 1 . 2]" 1
333 1 33 TYR O 1 37 MET N . . 3.500 3.119 3.021 3.242 . 0 0 "[ . 1 . 2]" 1
334 1 34 LEU QB 1 75 VAL HB . . 5.040 4.733 4.404 5.088 0.048 18 0 "[ . 1 . 2]" 1
335 1 34 LEU QB 1 75 VAL QG . . 3.930 2.023 1.829 2.287 . 0 0 "[ . 1 . 2]" 1
336 1 34 LEU QD 1 78 LYS QD . . 4.710 2.525 1.749 3.466 . 0 0 "[ . 1 . 2]" 1
337 1 34 LEU QD 1 78 LYS QE . . 4.330 1.880 1.729 2.322 . 0 0 "[ . 1 . 2]" 1
338 1 34 LEU O 1 38 THR H . . 2.500 2.043 1.897 2.231 . 0 0 "[ . 1 . 2]" 1
339 1 34 LEU O 1 38 THR N . . 3.500 2.728 2.600 2.903 . 0 0 "[ . 1 . 2]" 1
340 1 35 ARG H 1 39 LEU QD . . 4.510 4.232 3.809 4.451 . 0 0 "[ . 1 . 2]" 1
341 1 35 ARG HA 1 35 ARG QD . . 4.370 3.638 2.762 4.053 . 0 0 "[ . 1 . 2]" 1
342 1 35 ARG HA 1 35 ARG QG . . 3.850 2.119 2.003 2.289 . 0 0 "[ . 1 . 2]" 1
343 1 35 ARG HA 1 39 LEU QB . . 3.390 2.281 1.928 2.704 . 0 0 "[ . 1 . 2]" 1
344 1 35 ARG HA 1 75 VAL QG . . 4.130 2.732 2.430 3.126 . 0 0 "[ . 1 . 2]" 1
345 1 35 ARG QB 1 36 ASP H . . 4.060 2.726 2.545 2.950 . 0 0 "[ . 1 . 2]" 1
346 1 35 ARG QB 1 39 LEU QD . . 3.730 3.429 3.280 3.613 . 0 0 "[ . 1 . 2]" 1
347 1 35 ARG QB 1 75 VAL QG . . 3.580 3.209 3.012 3.450 . 0 0 "[ . 1 . 2]" 1
348 1 35 ARG QD 1 39 LEU QB . . 4.400 2.691 1.789 3.835 . 0 0 "[ . 1 . 2]" 1
349 1 35 ARG QD 1 39 LEU QD . . 4.020 2.511 1.824 3.333 . 0 0 "[ . 1 . 2]" 1
350 1 35 ARG QD 1 75 VAL QG . . 4.610 4.059 3.229 4.601 . 0 0 "[ . 1 . 2]" 1
351 1 35 ARG QG 1 75 VAL HB . . 4.620 4.508 3.783 4.707 0.087 15 0 "[ . 1 . 2]" 1
352 1 36 ASP H 1 36 ASP QB . . 3.650 2.116 2.051 2.190 . 0 0 "[ . 1 . 2]" 1
353 1 36 ASP QB 1 37 MET H . . 3.770 2.578 2.423 2.694 . 0 0 "[ . 1 . 2]" 1
354 1 37 MET H 1 37 MET QG . . 4.180 3.393 1.808 4.016 . 0 0 "[ . 1 . 2]" 1
355 1 37 MET HA 1 38 THR MG . . 5.300 4.955 4.873 5.091 . 0 0 "[ . 1 . 2]" 1
356 1 37 MET QB 1 38 THR H . . 4.080 2.187 1.991 2.595 . 0 0 "[ . 1 . 2]" 1
357 1 37 MET QB 1 38 THR MG . . 4.380 3.027 2.827 3.428 . 0 0 "[ . 1 . 2]" 1
358 1 38 THR H 1 38 THR MG . . 3.930 1.939 1.833 2.106 . 0 0 "[ . 1 . 2]" 1
359 1 38 THR H 1 75 VAL QG . . 5.280 4.528 4.298 4.969 . 0 0 "[ . 1 . 2]" 1
360 1 38 THR HA 1 38 THR MG . . 3.260 2.410 2.295 2.464 . 0 0 "[ . 1 . 2]" 1
361 1 38 THR MG 1 75 VAL QG . . 3.720 2.783 2.466 3.298 . 0 0 "[ . 1 . 2]" 1
362 1 38 THR MG 1 78 LYS QB . . 4.650 4.322 3.942 4.684 0.034 18 0 "[ . 1 . 2]" 1
363 1 38 THR MG 1 78 LYS QD . . 4.980 4.014 3.101 5.030 0.050 15 0 "[ . 1 . 2]" 1
364 1 39 LEU H 1 39 LEU HG . . 4.210 4.029 3.499 4.264 0.054 12 0 "[ . 1 . 2]" 1
365 1 39 LEU HA 1 40 SER H . . 3.560 2.681 2.291 3.458 . 0 0 "[ . 1 . 2]" 1
366 1 39 LEU QB 1 66 LYS QG . . 4.390 2.819 2.300 3.365 . 0 0 "[ . 1 . 2]" 1
367 1 39 LEU QD 1 40 SER H . . 3.980 3.228 2.592 3.819 . 0 0 "[ . 1 . 2]" 1
368 1 39 LEU QD 1 66 LYS QB . . 3.120 2.712 2.337 3.138 0.018 1 0 "[ . 1 . 2]" 1
369 1 39 LEU QD 1 72 ALA H . . 5.030 4.376 4.095 4.728 . 0 0 "[ . 1 . 2]" 1
370 1 39 LEU QD 1 75 VAL H . . 4.290 4.418 4.349 4.530 0.240 11 0 "[ . 1 . 2]" 1
371 1 39 LEU QD 1 75 VAL HA . . 5.300 4.456 4.348 4.585 . 0 0 "[ . 1 . 2]" 1
372 1 39 LEU QD 1 75 VAL HB . . 3.520 3.052 2.677 3.519 . 0 0 "[ . 1 . 2]" 1
373 1 39 LEU MD1 1 40 SER H . . 4.860 4.138 2.609 4.625 . 0 0 "[ . 1 . 2]" 1
374 1 39 LEU MD2 1 40 SER H . . 4.860 3.620 2.927 4.468 . 0 0 "[ . 1 . 2]" 1
375 1 39 LEU HG 1 40 SER H . . 4.390 3.895 3.415 4.409 0.019 4 0 "[ . 1 . 2]" 1
376 1 39 LEU HG 1 66 LYS QG . . 5.030 3.623 2.519 4.728 . 0 0 "[ . 1 . 2]" 1
377 1 41 GLU H 1 41 GLU QB . . 3.840 2.533 2.043 3.338 . 0 0 "[ . 1 . 2]" 1
378 1 41 GLU HA 1 41 GLU QG . . 3.520 2.447 2.015 3.340 . 0 0 "[ . 1 . 2]" 1
379 1 43 GLN H 1 43 GLN QB . . 3.530 2.793 2.151 3.290 . 0 0 "[ . 1 . 2]" 1
380 1 43 GLN H 1 43 GLN QG . . 3.230 2.553 1.934 3.322 0.092 13 0 "[ . 1 . 2]" 1
381 1 43 GLN HA 1 62 LEU MD1 . . 3.860 3.592 2.532 3.869 0.009 3 0 "[ . 1 . 2]" 1
382 1 43 GLN HA 1 62 LEU QD . . 3.200 3.114 2.500 3.235 0.035 13 0 "[ . 1 . 2]" 1
383 1 43 GLN HA 1 62 LEU MD2 . . 3.860 3.516 3.088 3.921 0.061 20 0 "[ . 1 . 2]" 1
384 1 43 GLN QB 1 62 LEU QD . . 3.480 2.861 1.940 3.487 0.007 9 0 "[ . 1 . 2]" 1
385 1 45 PRO HA 1 46 LEU H . . 3.050 2.406 2.169 2.701 . 0 0 "[ . 1 . 2]" 1
386 1 45 PRO HA 1 46 LEU MD1 . . 5.310 4.696 3.364 5.410 0.100 11 0 "[ . 1 . 2]" 1
387 1 45 PRO HA 1 46 LEU QD . . 4.480 3.804 2.886 4.538 0.058 8 0 "[ . 1 . 2]" 1
388 1 45 PRO HA 1 46 LEU MD2 . . 5.310 4.387 3.007 5.335 0.025 18 0 "[ . 1 . 2]" 1
389 1 45 PRO QB 1 46 LEU H . . 3.180 2.584 1.929 3.204 0.024 15 0 "[ . 1 . 2]" 1
390 1 45 PRO HB2 1 46 LEU H . . 3.910 2.681 1.946 3.401 . 0 0 "[ . 1 . 2]" 1
391 1 45 PRO HB3 1 46 LEU H . . 3.910 3.517 3.162 3.914 0.004 15 0 "[ . 1 . 2]" 1
392 1 46 LEU H 1 46 LEU MD1 . . 3.900 3.122 2.028 3.778 . 0 0 "[ . 1 . 2]" 1
393 1 46 LEU H 1 46 LEU QD . . 3.320 2.496 1.852 2.966 . 0 0 "[ . 1 . 2]" 1
394 1 46 LEU H 1 46 LEU MD2 . . 3.900 3.039 1.889 3.907 0.007 13 0 "[ . 1 . 2]" 1
395 1 46 LEU HA 1 46 LEU MD1 . . 4.020 3.341 1.964 4.102 0.082 11 0 "[ . 1 . 2]" 1
396 1 46 LEU HA 1 46 LEU QD . . 3.300 2.469 1.952 3.366 0.066 5 0 "[ . 1 . 2]" 1
397 1 46 LEU HA 1 46 LEU MD2 . . 4.020 2.895 2.059 4.034 0.014 5 0 "[ . 1 . 2]" 1
398 1 46 LEU HA 1 47 ALA MB . . 4.390 3.927 3.843 4.057 . 0 0 "[ . 1 . 2]" 1
399 1 47 ALA H 1 47 ALA MB . . 3.310 2.730 2.568 2.790 . 0 0 "[ . 1 . 2]" 1
400 1 47 ALA HA 1 50 GLU H . . 4.690 4.572 4.378 4.698 0.008 16 0 "[ . 1 . 2]" 1
401 1 47 ALA MB 1 48 ARG HA . . 4.580 4.446 4.186 4.558 . 0 0 "[ . 1 . 2]" 1
402 1 47 ALA MB 1 48 ARG QB . . 5.150 4.671 3.671 5.152 0.002 18 0 "[ . 1 . 2]" 1
403 1 47 ALA MB 1 50 GLU H . . 3.610 2.866 2.649 3.055 . 0 0 "[ . 1 . 2]" 1
404 1 47 ALA MB 1 50 GLU HB2 . . 4.240 2.909 2.420 3.569 . 0 0 "[ . 1 . 2]" 1
405 1 47 ALA MB 1 50 GLU QB . . 3.650 2.843 2.308 3.398 . 0 0 "[ . 1 . 2]" 1
406 1 47 ALA MB 1 50 GLU HB3 . . 4.240 4.160 2.915 4.300 0.060 15 0 "[ . 1 . 2]" 1
407 1 47 ALA MB 1 50 GLU QG . . 4.110 2.950 1.855 4.129 0.019 18 0 "[ . 1 . 2]" 1
408 1 48 ARG H 1 50 GLU H . . 4.980 4.099 3.769 4.232 . 0 0 "[ . 1 . 2]" 1
409 1 48 ARG HA 1 48 ARG QD . . 4.480 4.131 3.659 4.461 . 0 0 "[ . 1 . 2]" 1
410 1 48 ARG HA 1 48 ARG QG . . 3.760 3.071 2.184 3.413 . 0 0 "[ . 1 . 2]" 1
411 1 48 ARG HA 1 50 GLU H . . 3.950 3.579 3.421 3.835 . 0 0 "[ . 1 . 2]" 1
412 1 48 ARG QB 1 48 ARG QD . . 3.270 2.072 1.925 2.330 . 0 0 "[ . 1 . 2]" 1
413 1 48 ARG O 1 52 GLU H . . 2.500 2.500 2.188 2.588 0.088 5 0 "[ . 1 . 2]" 1
414 1 48 ARG O 1 52 GLU N . . 3.500 3.413 3.144 3.512 0.012 15 0 "[ . 1 . 2]" 1
415 1 49 GLY H 1 50 GLU H . . 4.140 2.569 2.463 2.686 . 0 0 "[ . 1 . 2]" 1
416 1 50 GLU H 1 50 GLU QG . . 3.780 3.406 2.573 3.878 0.098 18 0 "[ . 1 . 2]" 1
417 1 50 GLU HA 1 50 GLU QG . . 3.250 2.307 2.007 2.633 . 0 0 "[ . 1 . 2]" 1
418 1 50 GLU HA 1 54 LEU H . . 4.250 3.467 2.970 3.689 . 0 0 "[ . 1 . 2]" 1
419 1 50 GLU HA 1 54 LEU QB . . 3.640 3.203 2.356 3.651 0.011 9 0 "[ . 1 . 2]" 1
420 1 50 GLU HA 1 54 LEU QD . . 3.180 2.200 1.860 3.011 . 0 0 "[ . 1 . 2]" 1
421 1 50 GLU QG 1 54 LEU QD . . 3.640 2.756 2.036 3.584 . 0 0 "[ . 1 . 2]" 1
422 1 51 LEU H 1 51 LEU QD . . 4.600 3.731 3.549 3.862 . 0 0 "[ . 1 . 2]" 1
423 1 51 LEU HA 1 51 LEU QD . . 3.260 2.724 2.074 3.165 . 0 0 "[ . 1 . 2]" 1
424 1 51 LEU HA 1 54 LEU H . . 5.020 4.426 4.094 4.534 . 0 0 "[ . 1 . 2]" 1
425 1 51 LEU HA 1 59 LEU MD1 . . 3.060 3.112 3.072 3.151 0.091 8 0 "[ . 1 . 2]" 1
426 1 52 GLU QB 1 53 GLY HA2 . . 4.520 4.182 4.071 4.360 . 0 0 "[ . 1 . 2]" 1
427 1 52 GLU QG 1 53 GLY HA2 . . 4.050 3.503 3.287 3.819 . 0 0 "[ . 1 . 2]" 1
428 1 52 GLU QG 1 53 GLY HA3 . . 4.540 4.345 3.593 4.558 0.018 14 0 "[ . 1 . 2]" 1
429 1 53 GLY HA3 1 54 LEU QD . . 3.950 3.569 3.124 3.961 0.011 2 0 "[ . 1 . 2]" 1
430 1 54 LEU H 1 54 LEU HB2 . . 3.880 2.606 2.240 2.801 . 0 0 "[ . 1 . 2]" 1
431 1 54 LEU H 1 54 LEU QB . . 3.150 2.546 2.217 2.705 . 0 0 "[ . 1 . 2]" 1
432 1 54 LEU H 1 54 LEU HB3 . . 3.880 3.604 3.527 3.668 . 0 0 "[ . 1 . 2]" 1
433 1 54 LEU H 1 54 LEU QD . . 3.440 2.809 2.402 3.358 . 0 0 "[ . 1 . 2]" 1
434 1 54 LEU H 1 54 LEU HG . . 3.260 2.276 1.894 3.241 . 0 0 "[ . 1 . 2]" 1
435 1 54 LEU HA 1 54 LEU QD . . 3.510 2.253 1.980 2.966 . 0 0 "[ . 1 . 2]" 1
436 1 54 LEU HA 1 55 ILE H . . 3.020 2.684 2.201 2.787 . 0 0 "[ . 1 . 2]" 1
437 1 54 LEU HA 1 55 ILE HA . . 4.590 4.462 4.448 4.498 . 0 0 "[ . 1 . 2]" 1
438 1 54 LEU HA 1 58 ASP QB . . 4.730 4.829 4.312 4.928 0.198 10 0 "[ . 1 . 2]" 1
439 1 54 LEU QD 1 55 ILE H . . 3.720 3.369 2.802 3.726 0.006 19 0 "[ . 1 . 2]" 1
440 1 54 LEU QD 1 58 ASP QB . . 4.160 3.667 2.805 3.931 . 0 0 "[ . 1 . 2]" 1
441 1 54 LEU QD 1 59 LEU H . . 4.610 4.318 3.795 4.645 0.035 18 0 "[ . 1 . 2]" 1
442 1 55 ILE H 1 55 ILE QG . . 3.470 2.089 1.900 3.272 . 0 0 "[ . 1 . 2]" 1
443 1 55 ILE H 1 55 ILE MG . . 3.250 2.922 1.856 3.145 . 0 0 "[ . 1 . 2]" 1
444 1 55 ILE H 1 58 ASP QB . . 4.070 2.923 2.678 4.374 0.304 19 0 "[ . 1 . 2]" 1
445 1 55 ILE HA 1 55 ILE MD . . 4.250 4.068 3.519 4.179 . 0 0 "[ . 1 . 2]" 1
446 1 55 ILE HA 1 55 ILE MG . . 3.440 2.223 2.119 2.397 . 0 0 "[ . 1 . 2]" 1
447 1 55 ILE HB 1 55 ILE MD . . 3.700 2.573 2.418 3.186 . 0 0 "[ . 1 . 2]" 1
448 1 55 ILE HB 1 57 VAL QG . . 4.090 3.583 2.889 3.829 . 0 0 "[ . 1 . 2]" 1
449 1 55 ILE MD 1 55 ILE MG . . 3.060 1.980 1.848 2.069 . 0 0 "[ . 1 . 2]" 1
450 1 55 ILE MD 1 58 ASP H . . 3.620 3.474 3.366 3.642 0.022 19 0 "[ . 1 . 2]" 1
451 1 55 ILE MD 1 58 ASP HA . . 4.620 4.137 3.986 4.569 . 0 0 "[ . 1 . 2]" 1
452 1 55 ILE QG 1 57 VAL H . . 3.670 3.208 2.490 3.402 . 0 0 "[ . 1 . 2]" 1
453 1 55 ILE QG 1 57 VAL HB . . 3.840 3.192 2.273 3.383 . 0 0 "[ . 1 . 2]" 1
454 1 55 ILE QG 1 57 VAL QG . . 4.340 3.712 2.745 3.887 . 0 0 "[ . 1 . 2]" 1
455 1 55 ILE QG 1 59 LEU H . . 4.680 3.464 3.202 4.089 . 0 0 "[ . 1 . 2]" 1
456 1 55 ILE HG12 1 58 ASP H . . 3.580 3.375 2.027 3.613 0.033 16 0 "[ . 1 . 2]" 1
457 1 55 ILE HG13 1 58 ASP H . . 3.580 2.185 1.966 3.492 . 0 0 "[ . 1 . 2]" 1
458 1 55 ILE MG 1 57 VAL HB . . 4.570 4.617 4.469 4.673 0.103 10 0 "[ . 1 . 2]" 1
459 1 56 PRO HA 1 59 LEU HB3 . . 4.120 3.379 3.227 3.479 . 0 0 "[ . 1 . 2]" 1
460 1 56 PRO HA 1 59 LEU MD2 . . 3.720 1.840 1.809 1.865 . 0 0 "[ . 1 . 2]" 1
461 1 56 PRO HA 1 59 LEU HG . . 4.800 4.575 4.533 4.610 . 0 0 "[ . 1 . 2]" 1
462 1 56 PRO HB2 1 57 VAL QG . . 4.280 3.547 3.415 3.961 . 0 0 "[ . 1 . 2]" 1
463 1 56 PRO QD 1 57 VAL QG . . 4.510 3.467 3.057 3.612 . 0 0 "[ . 1 . 2]" 1
464 1 56 PRO QG 1 57 VAL H . . 3.340 2.157 2.020 2.449 . 0 0 "[ . 1 . 2]" 1
465 1 56 PRO O 1 60 ALA H . . 2.500 1.899 1.757 1.995 . 0 0 "[ . 1 . 2]" 1
466 1 56 PRO O 1 60 ALA N . . 3.500 2.772 2.647 2.856 . 0 0 "[ . 1 . 2]" 1
467 1 57 VAL H 1 57 VAL HB . . 3.080 2.567 2.508 2.657 . 0 0 "[ . 1 . 2]" 1
468 1 57 VAL H 1 57 VAL QG . . 2.980 2.161 1.932 2.297 . 0 0 "[ . 1 . 2]" 1
469 1 57 VAL H 1 58 ASP H . . 3.500 2.624 2.582 2.678 . 0 0 "[ . 1 . 2]" 1
470 1 57 VAL H 1 59 LEU MD2 . . 4.810 4.362 4.340 4.393 . 0 0 "[ . 1 . 2]" 1
471 1 57 VAL H 1 60 ALA H . . 4.730 4.752 4.675 4.796 0.066 20 0 "[ . 1 . 2]" 1
472 1 57 VAL HA 1 57 VAL MG1 . . 3.740 2.302 2.217 2.371 . 0 0 "[ . 1 . 2]" 1
473 1 57 VAL HA 1 57 VAL MG2 . . 3.740 2.360 2.284 2.427 . 0 0 "[ . 1 . 2]" 1
474 1 57 VAL HA 1 60 ALA MB . . 3.580 2.844 2.705 2.986 . 0 0 "[ . 1 . 2]" 1
475 1 57 VAL HB 1 58 ASP H . . 3.800 3.122 3.088 3.157 . 0 0 "[ . 1 . 2]" 1
476 1 57 VAL QG 1 60 ALA MB . . 4.690 3.724 3.595 3.841 . 0 0 "[ . 1 . 2]" 1
477 1 58 ASP H 1 58 ASP QB . . 3.250 2.310 2.149 2.362 . 0 0 "[ . 1 . 2]" 1
478 1 58 ASP H 1 59 LEU H . . 3.150 2.502 2.386 2.545 . 0 0 "[ . 1 . 2]" 1
479 1 58 ASP H 1 59 LEU HB3 . . 4.440 4.261 4.192 4.336 . 0 0 "[ . 1 . 2]" 1
480 1 58 ASP H 1 59 LEU MD2 . . 3.750 3.777 3.766 3.796 0.046 10 0 "[ . 1 . 2]" 1
481 1 58 ASP H 1 60 ALA MB . . 4.580 4.233 4.162 4.360 . 0 0 "[ . 1 . 2]" 1
482 1 58 ASP HA 1 61 GLU H . . 3.890 3.659 3.559 3.839 . 0 0 "[ . 1 . 2]" 1
483 1 58 ASP HA 1 61 GLU QB . . 3.560 3.088 2.802 3.666 0.106 10 0 "[ . 1 . 2]" 1
484 1 58 ASP QB 1 59 LEU H . . 3.870 2.211 2.126 2.357 . 0 0 "[ . 1 . 2]" 1
485 1 58 ASP QB 1 59 LEU MD2 . . 4.360 4.399 4.343 4.441 0.081 20 0 "[ . 1 . 2]" 1
486 1 58 ASP O 1 62 LEU H . . 2.500 2.546 2.444 2.664 0.164 18 0 "[ . 1 . 2]" 1
487 1 58 ASP O 1 62 LEU N . . 3.500 3.406 3.288 3.566 0.066 18 0 "[ . 1 . 2]" 1
488 1 59 LEU H 1 59 LEU HB2 . . 3.440 3.284 3.254 3.344 . 0 0 "[ . 1 . 2]" 1
489 1 59 LEU H 1 59 LEU HB3 . . 3.440 2.042 2.038 2.069 . 0 0 "[ . 1 . 2]" 1
490 1 59 LEU H 1 59 LEU MD2 . . 3.410 2.687 2.544 2.771 . 0 0 "[ . 1 . 2]" 1
491 1 59 LEU HA 1 59 LEU HG . . 3.840 3.295 3.278 3.310 . 0 0 "[ . 1 . 2]" 1
492 1 59 LEU HA 1 60 ALA HA . . 4.960 4.804 4.763 4.815 . 0 0 "[ . 1 . 2]" 1
493 1 59 LEU HB3 1 59 LEU MD1 . . 3.610 2.528 2.476 2.583 . 0 0 "[ . 1 . 2]" 1
494 1 59 LEU HB3 1 60 ALA H . . 3.730 3.330 3.268 3.418 . 0 0 "[ . 1 . 2]" 1
495 1 59 LEU MD2 1 60 ALA H . . 3.270 1.912 1.853 2.011 . 0 0 "[ . 1 . 2]" 1
496 1 59 LEU MD2 1 60 ALA HA . . 3.270 2.611 2.499 2.741 . 0 0 "[ . 1 . 2]" 1
497 1 59 LEU MD2 1 60 ALA MB . . 3.310 2.370 2.196 2.496 . 0 0 "[ . 1 . 2]" 1
498 1 59 LEU MD2 1 61 GLU H . . 4.630 4.229 4.138 4.316 . 0 0 "[ . 1 . 2]" 1
499 1 59 LEU HG 1 60 ALA HA . . 3.860 3.190 3.135 3.250 . 0 0 "[ . 1 . 2]" 1
500 1 59 LEU HG 1 63 LEU QB . . 4.070 3.515 3.209 3.877 . 0 0 "[ . 1 . 2]" 1
501 1 59 LEU O 1 63 LEU H . . 2.500 2.142 2.006 2.326 . 0 0 "[ . 1 . 2]" 1
502 1 59 LEU O 1 63 LEU N . . 3.500 3.078 2.952 3.260 . 0 0 "[ . 1 . 2]" 1
503 1 60 ALA H 1 60 ALA MB . . 2.770 2.233 2.220 2.239 . 0 0 "[ . 1 . 2]" 1
504 1 60 ALA H 1 61 GLU H . . 3.440 2.706 2.640 2.807 . 0 0 "[ . 1 . 2]" 1
505 1 60 ALA HA 1 63 LEU H . . 4.000 3.328 3.273 3.392 . 0 0 "[ . 1 . 2]" 1
506 1 60 ALA HA 1 63 LEU QB . . 3.900 2.738 2.610 2.871 . 0 0 "[ . 1 . 2]" 1
507 1 60 ALA MB 1 61 GLU H . . 3.000 2.458 2.268 2.551 . 0 0 "[ . 1 . 2]" 1
508 1 60 ALA MB 1 61 GLU QG . . 4.300 3.958 3.427 4.519 0.219 10 0 "[ . 1 . 2]" 1
509 1 60 ALA MB 1 62 LEU H . . 4.600 4.362 4.213 4.511 . 0 0 "[ . 1 . 2]" 1
510 1 60 ALA MB 1 63 LEU QB . . 4.150 3.948 3.785 4.130 . 0 0 "[ . 1 . 2]" 1
511 1 60 ALA O 1 64 ILE H . . 2.500 1.897 1.799 2.030 . 0 0 "[ . 1 . 2]" 1
512 1 60 ALA O 1 64 ILE N . . 3.500 2.873 2.768 3.009 . 0 0 "[ . 1 . 2]" 1
513 1 61 GLU H 1 61 GLU QB . . 2.870 2.163 2.082 2.344 . 0 0 "[ . 1 . 2]" 1
514 1 61 GLU H 1 61 GLU QG . . 3.180 2.887 2.399 3.122 . 0 0 "[ . 1 . 2]" 1
515 1 61 GLU H 1 62 LEU H . . 3.370 2.724 2.701 2.749 . 0 0 "[ . 1 . 2]" 1
516 1 61 GLU H 1 64 ILE MG . . 5.010 4.532 4.259 4.709 . 0 0 "[ . 1 . 2]" 1
517 1 61 GLU HA 1 61 GLU QG . . 3.630 2.454 2.068 3.392 . 0 0 "[ . 1 . 2]" 1
518 1 61 GLU HA 1 62 LEU HA . . 5.160 4.734 4.725 4.746 . 0 0 "[ . 1 . 2]" 1
519 1 61 GLU HA 1 64 ILE H . . 4.160 3.858 3.777 3.946 . 0 0 "[ . 1 . 2]" 1
520 1 61 GLU HA 1 64 ILE HB . . 5.460 4.748 4.640 4.900 . 0 0 "[ . 1 . 2]" 1
521 1 61 GLU HA 1 64 ILE MD . . 4.180 2.211 1.932 2.851 . 0 0 "[ . 1 . 2]" 1
522 1 61 GLU QB 1 62 LEU H . . 3.330 2.949 2.722 3.502 0.172 16 0 "[ . 1 . 2]" 1
523 1 61 GLU QB 1 64 ILE MD . . 4.430 3.560 2.952 4.035 . 0 0 "[ . 1 . 2]" 1
524 1 61 GLU O 1 65 SER H . . 2.500 2.485 2.323 2.579 0.079 3 0 "[ . 1 . 2]" 1
525 1 61 GLU O 1 65 SER N . . 3.500 3.260 3.084 3.344 . 0 0 "[ . 1 . 2]" 1
526 1 62 LEU H 1 62 LEU HB2 . . 3.200 2.732 2.442 2.878 . 0 0 "[ . 1 . 2]" 1
527 1 62 LEU H 1 62 LEU HB3 . . 3.160 2.341 2.220 2.613 . 0 0 "[ . 1 . 2]" 1
528 1 62 LEU H 1 62 LEU QD . . 4.340 3.601 3.510 3.715 . 0 0 "[ . 1 . 2]" 1
529 1 62 LEU H 1 63 LEU H . . 3.200 2.553 2.500 2.581 . 0 0 "[ . 1 . 2]" 1
530 1 62 LEU HA 1 62 LEU MD1 . . 3.730 3.434 3.274 3.592 . 0 0 "[ . 1 . 2]" 1
531 1 62 LEU HA 1 62 LEU QD . . 3.190 2.928 2.023 3.205 0.015 9 0 "[ . 1 . 2]" 1
532 1 62 LEU HA 1 62 LEU MD2 . . 3.730 3.319 2.042 3.744 0.014 3 0 "[ . 1 . 2]" 1
533 1 62 LEU HA 1 63 LEU HA . . 5.500 4.794 4.772 4.816 . 0 0 "[ . 1 . 2]" 1
534 1 62 LEU HB3 1 63 LEU QB . . 4.280 4.047 3.915 4.221 . 0 0 "[ . 1 . 2]" 1
535 1 62 LEU QD 1 63 LEU H . . 3.190 2.742 2.482 3.074 . 0 0 "[ . 1 . 2]" 1
536 1 63 LEU H 1 63 LEU QB . . 2.910 2.109 2.025 2.229 . 0 0 "[ . 1 . 2]" 1
537 1 63 LEU H 1 63 LEU MD1 . . 4.970 4.084 3.356 4.252 . 0 0 "[ . 1 . 2]" 1
538 1 63 LEU H 1 63 LEU QD . . 4.350 3.438 3.056 3.756 . 0 0 "[ . 1 . 2]" 1
539 1 63 LEU H 1 63 LEU MD2 . . 4.970 3.840 3.134 4.404 . 0 0 "[ . 1 . 2]" 1
540 1 63 LEU H 1 64 ILE H . . 3.660 2.772 2.694 2.823 . 0 0 "[ . 1 . 2]" 1
541 1 63 LEU HA 1 72 ALA MB . . 4.690 4.720 4.604 4.786 0.096 19 0 "[ . 1 . 2]" 1
542 1 63 LEU QB 1 64 ILE H . . 3.510 2.373 2.297 2.530 . 0 0 "[ . 1 . 2]" 1
543 1 63 LEU QB 1 64 ILE MG . . 4.420 3.084 2.878 3.321 . 0 0 "[ . 1 . 2]" 1
544 1 63 LEU QB 1 65 SER H . . 4.480 4.431 4.353 4.513 0.033 8 0 "[ . 1 . 2]" 1
545 1 63 LEU QB 1 72 ALA MB . . 3.570 3.042 2.739 3.429 . 0 0 "[ . 1 . 2]" 1
546 1 63 LEU QD 1 72 ALA H . . 4.930 4.458 3.877 4.939 0.009 1 0 "[ . 1 . 2]" 1
547 1 64 ILE H 1 64 ILE HB . . 3.690 3.612 3.610 3.614 . 0 0 "[ . 1 . 2]" 1
548 1 64 ILE H 1 64 ILE QG . . 3.380 2.153 2.046 2.245 . 0 0 "[ . 1 . 2]" 1
549 1 64 ILE H 1 65 SER H . . 3.320 2.690 2.605 2.725 . 0 0 "[ . 1 . 2]" 1
550 1 64 ILE H 1 69 GLU HA . . 4.980 4.500 4.344 4.631 . 0 0 "[ . 1 . 2]" 1
551 1 64 ILE H 1 72 ALA MB . . 3.720 3.559 3.466 3.739 0.019 18 0 "[ . 1 . 2]" 1
552 1 64 ILE HA 1 64 ILE QG . . 3.590 3.324 3.304 3.384 . 0 0 "[ . 1 . 2]" 1
553 1 64 ILE HA 1 69 GLU HA . . 4.110 2.364 2.210 2.708 . 0 0 "[ . 1 . 2]" 1
554 1 64 ILE HA 1 72 ALA MB . . 3.690 2.303 2.034 2.464 . 0 0 "[ . 1 . 2]" 1
555 1 64 ILE HB 1 64 ILE MD . . 3.250 2.280 2.015 2.439 . 0 0 "[ . 1 . 2]" 1
556 1 64 ILE HB 1 65 SER HA . . 5.500 4.521 4.400 4.627 . 0 0 "[ . 1 . 2]" 1
557 1 64 ILE HB 1 68 GLY QA . . 5.340 4.336 3.847 4.653 . 0 0 "[ . 1 . 2]" 1
558 1 64 ILE HB 1 72 ALA MB . . 3.940 3.647 3.419 3.861 . 0 0 "[ . 1 . 2]" 1
559 1 64 ILE MD 1 69 GLU HA . . 4.130 3.975 3.731 4.141 0.011 19 0 "[ . 1 . 2]" 1
560 1 64 ILE MD 1 69 GLU QB . . 4.820 2.739 2.490 2.958 . 0 0 "[ . 1 . 2]" 1
561 1 64 ILE MD 1 69 GLU QG . . 4.530 4.292 3.931 4.537 0.007 16 0 "[ . 1 . 2]" 1
562 1 64 ILE QG 1 65 SER H . . 3.240 2.128 1.912 2.270 . 0 0 "[ . 1 . 2]" 1
563 1 64 ILE HG12 1 65 SER H . . 3.820 3.054 2.500 3.800 . 0 0 "[ . 1 . 2]" 1
564 1 64 ILE HG13 1 65 SER H . . 3.820 2.221 1.919 2.489 . 0 0 "[ . 1 . 2]" 1
565 1 65 SER H 1 66 LYS H . . 3.340 2.406 2.371 2.432 . 0 0 "[ . 1 . 2]" 1
566 1 65 SER H 1 67 TYR H . . 5.090 4.828 4.730 4.927 . 0 0 "[ . 1 . 2]" 1
567 1 65 SER QB 1 66 LYS H . . 4.150 2.992 2.902 3.422 . 0 0 "[ . 1 . 2]" 1
568 1 66 LYS H 1 66 LYS QB . . 3.210 2.224 2.145 2.253 . 0 0 "[ . 1 . 2]" 1
569 1 66 LYS H 1 66 LYS QG . . 4.300 3.977 3.847 4.032 . 0 0 "[ . 1 . 2]" 1
570 1 66 LYS H 1 67 TYR H . . 3.450 3.057 2.906 3.105 . 0 0 "[ . 1 . 2]" 1
571 1 66 LYS HA 1 66 LYS QD . . 3.230 2.118 1.956 2.479 . 0 0 "[ . 1 . 2]" 1
572 1 66 LYS HA 1 66 LYS HG2 . . 3.890 3.835 3.754 3.888 . 0 0 "[ . 1 . 2]" 1
573 1 66 LYS HA 1 66 LYS QG . . 3.330 3.125 2.985 3.258 . 0 0 "[ . 1 . 2]" 1
574 1 66 LYS HA 1 66 LYS HG3 . . 3.890 3.315 3.111 3.497 . 0 0 "[ . 1 . 2]" 1
575 1 66 LYS QB 1 67 TYR H . . 3.290 2.219 2.138 2.361 . 0 0 "[ . 1 . 2]" 1
576 1 66 LYS HB2 1 67 TYR H . . 3.850 3.702 3.654 3.762 . 0 0 "[ . 1 . 2]" 1
577 1 66 LYS HB3 1 67 TYR H . . 3.850 2.236 2.153 2.386 . 0 0 "[ . 1 . 2]" 1
578 1 66 LYS QG 1 67 TYR HA . . 3.910 3.677 3.442 3.908 . 0 0 "[ . 1 . 2]" 1
579 1 66 LYS QG 1 67 TYR QB . . 4.300 2.361 2.183 2.556 . 0 0 "[ . 1 . 2]" 1
580 1 66 LYS QG 1 68 GLY H . . 4.310 4.317 4.170 4.393 0.083 19 0 "[ . 1 . 2]" 1
581 1 67 TYR H 1 67 TYR HB2 . . 3.950 2.670 2.451 2.956 . 0 0 "[ . 1 . 2]" 1
582 1 67 TYR H 1 67 TYR QB . . 3.320 2.508 2.372 2.640 . 0 0 "[ . 1 . 2]" 1
583 1 67 TYR H 1 67 TYR HB3 . . 3.950 3.108 2.829 3.474 . 0 0 "[ . 1 . 2]" 1
584 1 67 TYR QB 1 68 GLY H . . 4.120 2.665 2.591 2.747 . 0 0 "[ . 1 . 2]" 1
585 1 68 GLY H 1 69 GLU H . . 4.420 4.190 4.139 4.231 . 0 0 "[ . 1 . 2]" 1
586 1 68 GLY QA 1 69 GLU H . . 2.900 2.172 2.156 2.205 . 0 0 "[ . 1 . 2]" 1
587 1 68 GLY HA2 1 69 GLU H . . 3.400 2.232 2.208 2.288 . 0 0 "[ . 1 . 2]" 1
588 1 68 GLY HA3 1 69 GLU H . . 3.400 2.977 2.887 3.018 . 0 0 "[ . 1 . 2]" 1
589 1 68 GLY O 1 72 ALA H . . 2.500 2.349 2.135 2.482 . 0 0 "[ . 1 . 2]" 1
590 1 68 GLY O 1 72 ALA N . . 3.500 3.143 2.987 3.245 . 0 0 "[ . 1 . 2]" 1
591 1 69 GLU H 1 69 GLU HB2 . . 3.680 3.590 3.576 3.598 . 0 0 "[ . 1 . 2]" 1
592 1 69 GLU H 1 69 GLU QB . . 3.220 2.567 2.446 2.638 . 0 0 "[ . 1 . 2]" 1
593 1 69 GLU H 1 69 GLU HB3 . . 3.680 2.631 2.489 2.717 . 0 0 "[ . 1 . 2]" 1
594 1 69 GLU H 1 69 GLU HG2 . . 3.780 2.290 1.944 2.852 . 0 0 "[ . 1 . 2]" 1
595 1 69 GLU H 1 69 GLU QG . . 3.230 2.134 1.913 2.361 . 0 0 "[ . 1 . 2]" 1
596 1 69 GLU H 1 69 GLU HG3 . . 3.780 2.931 2.222 3.769 . 0 0 "[ . 1 . 2]" 1
597 1 69 GLU H 1 70 LYS H . . 3.800 2.581 2.552 2.707 . 0 0 "[ . 1 . 2]" 1
598 1 69 GLU HA 1 69 GLU HG2 . . 4.100 3.811 3.562 4.108 0.008 19 0 "[ . 1 . 2]" 1
599 1 69 GLU HA 1 69 GLU QG . . 3.570 3.340 3.316 3.362 . 0 0 "[ . 1 . 2]" 1
600 1 69 GLU HA 1 69 GLU HG3 . . 4.100 3.739 3.567 4.098 . 0 0 "[ . 1 . 2]" 1
601 1 69 GLU QB 1 70 LYS H . . 3.750 3.551 3.487 3.615 . 0 0 "[ . 1 . 2]" 1
602 1 69 GLU HB2 1 70 LYS H . . 4.370 3.894 3.781 4.040 . 0 0 "[ . 1 . 2]" 1
603 1 69 GLU HB3 1 70 LYS H . . 4.370 4.100 3.996 4.217 . 0 0 "[ . 1 . 2]" 1
604 1 69 GLU QG 1 70 LYS H . . 3.570 2.174 1.977 2.418 . 0 0 "[ . 1 . 2]" 1
605 1 69 GLU QG 1 70 LYS QB . . 4.120 3.585 3.167 4.016 . 0 0 "[ . 1 . 2]" 1
606 1 69 GLU HG2 1 70 LYS H . . 4.070 3.068 2.081 3.772 . 0 0 "[ . 1 . 2]" 1
607 1 69 GLU HG3 1 70 LYS H . . 4.070 2.520 1.985 3.603 . 0 0 "[ . 1 . 2]" 1
608 1 69 GLU O 1 73 VAL H . . 2.500 2.525 2.489 2.540 0.040 3 0 "[ . 1 . 2]" 1
609 1 69 GLU O 1 73 VAL N . . 3.500 3.486 3.430 3.512 0.012 1 0 "[ . 1 . 2]" 1
610 1 70 LYS H 1 70 LYS QD . . 3.800 3.244 2.256 3.931 0.131 19 0 "[ . 1 . 2]" 1
611 1 70 LYS H 1 70 LYS QG . . 4.090 3.295 1.920 4.062 . 0 0 "[ . 1 . 2]" 1
612 1 70 LYS H 1 71 GLU H . . 3.250 3.158 3.107 3.225 . 0 0 "[ . 1 . 2]" 1
613 1 70 LYS HA 1 73 VAL HB . . 4.020 4.256 4.218 4.335 0.315 14 0 "[ . 1 . 2]" 1
614 1 70 LYS HA 1 73 VAL MG2 . . 4.750 4.441 4.151 4.769 0.019 13 0 "[ . 1 . 2]" 1
615 1 70 LYS QB 1 71 GLU H . . 3.430 1.904 1.747 2.020 . 0 0 "[ . 1 . 2]" 1
616 1 70 LYS QE 1 73 VAL QG . . 5.000 4.756 4.362 5.068 0.068 19 0 "[ . 1 . 2]" 1
617 1 70 LYS O 1 74 LYS H . . 2.500 2.538 2.497 2.595 0.095 5 0 "[ . 1 . 2]" 1
618 1 70 LYS O 1 74 LYS N . . 3.500 3.500 3.460 3.551 0.051 5 0 "[ . 1 . 2]" 1
619 1 71 GLU H 1 71 GLU QB . . 3.190 2.385 2.201 2.636 . 0 0 "[ . 1 . 2]" 1
620 1 71 GLU H 1 72 ALA H . . 3.310 2.772 2.762 2.784 . 0 0 "[ . 1 . 2]" 1
621 1 71 GLU H 1 72 ALA MB . . 4.590 4.337 4.308 4.428 . 0 0 "[ . 1 . 2]" 1
622 1 71 GLU HA 1 71 GLU QG . . 3.870 2.907 2.238 3.414 . 0 0 "[ . 1 . 2]" 1
623 1 71 GLU HA 1 74 LYS H . . 3.650 3.337 3.235 3.483 . 0 0 "[ . 1 . 2]" 1
624 1 71 GLU HA 1 74 LYS QB . . 4.260 2.230 2.013 2.519 . 0 0 "[ . 1 . 2]" 1
625 1 71 GLU HA 1 75 VAL H . . 4.900 3.922 3.850 4.009 . 0 0 "[ . 1 . 2]" 1
626 1 71 GLU QB 1 72 ALA H . . 3.760 3.208 2.838 3.583 . 0 0 "[ . 1 . 2]" 1
627 1 71 GLU QG 1 72 ALA H . . 4.110 3.074 2.094 4.104 . 0 0 "[ . 1 . 2]" 1
628 1 71 GLU QG 1 72 ALA HA . . 4.830 3.727 3.081 4.278 . 0 0 "[ . 1 . 2]" 1
629 1 71 GLU O 1 75 VAL H . . 2.500 1.752 1.707 1.844 . 0 0 "[ . 1 . 2]" 1
630 1 71 GLU O 1 75 VAL N . . 3.500 2.650 2.618 2.692 . 0 0 "[ . 1 . 2]" 1
631 1 72 ALA H 1 73 VAL H . . 3.310 3.084 3.070 3.094 . 0 0 "[ . 1 . 2]" 1
632 1 72 ALA H 1 73 VAL HB . . 5.280 5.057 4.965 5.116 . 0 0 "[ . 1 . 2]" 1
633 1 72 ALA HA 1 75 VAL HB . . 4.170 3.174 2.869 3.962 . 0 0 "[ . 1 . 2]" 1
634 1 72 ALA MB 1 73 VAL H . . 3.280 2.257 2.071 2.329 . 0 0 "[ . 1 . 2]" 1
635 1 72 ALA MB 1 73 VAL QG . . 4.190 3.107 2.971 3.345 . 0 0 "[ . 1 . 2]" 1
636 1 72 ALA MB 1 75 VAL HB . . 5.500 4.597 4.328 5.338 . 0 0 "[ . 1 . 2]" 1
637 1 72 ALA MB 1 75 VAL QG . . 4.320 3.861 3.499 4.196 . 0 0 "[ . 1 . 2]" 1
638 1 72 ALA MB 1 76 VAL HB . . 5.500 5.492 5.354 5.550 0.050 2 0 "[ . 1 . 2]" 1
639 1 72 ALA O 1 76 VAL H . . 2.500 2.650 2.587 2.705 0.205 8 0 "[ . 1 . 2]" 1
640 1 72 ALA O 1 76 VAL N . . 3.500 3.362 3.307 3.443 . 0 0 "[ . 1 . 2]" 1
641 1 73 VAL H 1 73 VAL HB . . 2.960 2.388 2.264 2.462 . 0 0 "[ . 1 . 2]" 1
642 1 73 VAL H 1 73 VAL MG1 . . 4.510 3.728 3.662 3.753 . 0 0 "[ . 1 . 2]" 1
643 1 73 VAL H 1 73 VAL QG . . 3.060 2.431 2.322 2.659 . 0 0 "[ . 1 . 2]" 1
644 1 73 VAL H 1 73 VAL MG2 . . 4.510 2.465 2.345 2.730 . 0 0 "[ . 1 . 2]" 1
645 1 73 VAL HA 1 73 VAL MG1 . . 3.500 2.481 2.413 2.624 . 0 0 "[ . 1 . 2]" 1
646 1 73 VAL HA 1 73 VAL QG . . 3.050 2.050 1.965 2.127 . 0 0 "[ . 1 . 2]" 1
647 1 73 VAL HA 1 73 VAL MG2 . . 3.500 2.189 2.029 2.303 . 0 0 "[ . 1 . 2]" 1
648 1 73 VAL HA 1 76 VAL HB . . 3.790 2.813 2.585 2.929 . 0 0 "[ . 1 . 2]" 1
649 1 73 VAL HB 1 74 LYS H . . 3.370 2.755 2.519 2.914 . 0 0 "[ . 1 . 2]" 1
650 1 73 VAL QG 1 74 LYS H . . 3.660 3.105 2.833 3.298 . 0 0 "[ . 1 . 2]" 1
651 1 73 VAL QG 1 76 VAL QG . . 4.380 3.284 3.154 3.393 . 0 0 "[ . 1 . 2]" 1
652 1 73 VAL MG1 1 74 LYS H . . 4.210 3.236 2.899 3.490 . 0 0 "[ . 1 . 2]" 1
653 1 73 VAL MG2 1 74 LYS H . . 4.210 4.024 3.901 4.129 . 0 0 "[ . 1 . 2]" 1
654 1 73 VAL O 1 77 LEU H . . 2.500 2.310 2.163 2.394 . 0 0 "[ . 1 . 2]" 1
655 1 73 VAL O 1 77 LEU N . . 3.500 3.263 3.114 3.340 . 0 0 "[ . 1 . 2]" 1
656 1 74 LYS H 1 74 LYS QB . . 3.130 2.294 2.043 2.654 . 0 0 "[ . 1 . 2]" 1
657 1 74 LYS H 1 74 LYS QD . . 4.180 3.677 2.629 4.241 0.061 9 0 "[ . 1 . 2]" 1
658 1 74 LYS H 1 74 LYS QG . . 3.860 3.004 1.996 4.040 0.180 6 0 "[ . 1 . 2]" 1
659 1 74 LYS H 1 75 VAL H . . 3.430 2.667 2.603 2.773 . 0 0 "[ . 1 . 2]" 1
660 1 74 LYS H 1 77 LEU MD2 . . 4.280 3.736 3.413 3.953 . 0 0 "[ . 1 . 2]" 1
661 1 74 LYS HA 1 74 LYS QD . . 4.150 3.811 2.281 4.165 0.015 10 0 "[ . 1 . 2]" 1
662 1 74 LYS HA 1 74 LYS QG . . 3.670 2.391 2.104 2.671 . 0 0 "[ . 1 . 2]" 1
663 1 74 LYS HA 1 76 VAL H . . 4.180 3.819 3.740 3.914 . 0 0 "[ . 1 . 2]" 1
664 1 74 LYS HA 1 77 LEU H . . 3.940 3.449 3.378 3.594 . 0 0 "[ . 1 . 2]" 1
665 1 74 LYS HA 1 77 LEU MD1 . . 3.300 2.734 2.389 3.202 . 0 0 "[ . 1 . 2]" 1
666 1 74 LYS HA 1 77 LEU MD2 . . 3.060 1.980 1.910 2.126 . 0 0 "[ . 1 . 2]" 1
667 1 74 LYS HA 1 77 LEU HG . . 3.370 2.187 2.057 2.512 . 0 0 "[ . 1 . 2]" 1
668 1 74 LYS HA 1 78 LYS H . . 3.810 3.570 3.388 3.804 . 0 0 "[ . 1 . 2]" 1
669 1 74 LYS QB 1 74 LYS QD . . 3.300 2.090 1.952 2.396 . 0 0 "[ . 1 . 2]" 1
670 1 74 LYS QB 1 75 VAL H . . 3.430 2.634 2.497 2.794 . 0 0 "[ . 1 . 2]" 1
671 1 74 LYS QB 1 75 VAL HA . . 4.320 3.940 3.767 4.344 0.024 9 0 "[ . 1 . 2]" 1
672 1 74 LYS QB 1 75 VAL QG . . 4.260 3.780 3.043 4.376 0.116 6 0 "[ . 1 . 2]" 1
673 1 74 LYS QB 1 76 VAL H . . 4.680 4.451 4.291 4.593 . 0 0 "[ . 1 . 2]" 1
674 1 74 LYS QB 1 77 LEU MD2 . . 3.940 3.671 3.267 3.864 . 0 0 "[ . 1 . 2]" 1
675 1 74 LYS QG 1 77 LEU MD1 . . 3.830 3.057 2.142 3.845 0.015 4 0 "[ . 1 . 2]" 1
676 1 74 LYS QG 1 77 LEU MD2 . . 3.490 3.034 2.476 3.513 0.023 2 0 "[ . 1 . 2]" 1
677 1 74 LYS O 1 78 LYS H . . 2.500 1.872 1.780 2.077 . 0 0 "[ . 1 . 2]" 1
678 1 74 LYS O 1 78 LYS N . . 3.500 2.790 2.686 3.008 . 0 0 "[ . 1 . 2]" 1
679 1 75 VAL H 1 75 VAL HB . . 3.110 2.317 2.143 2.519 . 0 0 "[ . 1 . 2]" 1
680 1 75 VAL H 1 75 VAL MG1 . . 4.010 3.229 2.473 3.763 . 0 0 "[ . 1 . 2]" 1
681 1 75 VAL H 1 75 VAL QG . . 2.980 2.560 2.211 2.821 . 0 0 "[ . 1 . 2]" 1
682 1 75 VAL H 1 75 VAL MG2 . . 4.010 3.062 2.226 3.744 . 0 0 "[ . 1 . 2]" 1
683 1 75 VAL H 1 76 VAL H . . 3.400 2.625 2.531 2.697 . 0 0 "[ . 1 . 2]" 1
684 1 75 VAL H 1 77 LEU MD2 . . 4.720 4.731 4.513 4.780 0.060 20 0 "[ . 1 . 2]" 1
685 1 75 VAL H 1 78 LYS H . . 4.900 4.892 4.849 4.950 0.050 20 0 "[ . 1 . 2]" 1
686 1 75 VAL HA 1 75 VAL QG . . 3.080 2.031 1.896 2.147 . 0 0 "[ . 1 . 2]" 1
687 1 75 VAL HA 1 78 LYS H . . 4.320 3.993 3.856 4.131 . 0 0 "[ . 1 . 2]" 1
688 1 75 VAL HA 1 78 LYS QB . . 3.540 2.822 2.559 2.956 . 0 0 "[ . 1 . 2]" 1
689 1 75 VAL QG 1 76 VAL H . . 3.600 2.816 2.203 3.479 . 0 0 "[ . 1 . 2]" 1
690 1 75 VAL O 1 79 GLY H . . 2.500 2.647 2.580 2.692 0.192 11 0 "[ . 1 . 2]" 1
691 1 75 VAL O 1 79 GLY N . . 3.500 3.504 3.446 3.538 0.038 12 0 "[ . 1 . 2]" 1
692 1 76 VAL H 1 76 VAL HB . . 2.830 2.205 2.159 2.264 . 0 0 "[ . 1 . 2]" 1
693 1 76 VAL H 1 76 VAL QG . . 3.760 2.809 2.683 2.907 . 0 0 "[ . 1 . 2]" 1
694 1 76 VAL H 1 77 LEU H . . 3.350 2.552 2.526 2.575 . 0 0 "[ . 1 . 2]" 1
695 1 76 VAL H 1 78 LYS H . . 4.140 3.960 3.827 4.058 . 0 0 "[ . 1 . 2]" 1
696 1 76 VAL HA 1 76 VAL MG1 . . 3.320 2.676 2.586 2.771 . 0 0 "[ . 1 . 2]" 1
697 1 76 VAL HA 1 76 VAL QG . . 2.910 2.021 1.932 2.107 . 0 0 "[ . 1 . 2]" 1
698 1 76 VAL HA 1 76 VAL MG2 . . 3.320 2.095 1.972 2.231 . 0 0 "[ . 1 . 2]" 1
699 1 76 VAL HA 1 78 LYS H . . 5.030 4.876 4.754 5.000 . 0 0 "[ . 1 . 2]" 1
700 1 76 VAL HA 1 79 GLY H . . 4.210 3.970 3.844 4.097 . 0 0 "[ . 1 . 2]" 1
701 1 76 VAL HB 1 77 LEU H . . 3.500 2.653 2.548 2.813 . 0 0 "[ . 1 . 2]" 1
702 1 76 VAL HB 1 77 LEU HG . . 4.480 4.344 4.191 4.535 0.055 20 0 "[ . 1 . 2]" 1
703 1 76 VAL QG 1 77 LEU H . . 4.030 2.476 2.353 2.657 . 0 0 "[ . 1 . 2]" 1
704 1 76 VAL QG 1 77 LEU HA . . 4.210 2.865 2.801 2.954 . 0 0 "[ . 1 . 2]" 1
705 1 76 VAL QG 1 77 LEU HB3 . . 4.310 3.203 3.073 3.480 . 0 0 "[ . 1 . 2]" 1
706 1 76 VAL QG 1 92 LEU HG . . 5.100 3.379 2.673 3.637 . 0 0 "[ . 1 . 2]" 1
707 1 76 VAL O 1 80 LEU H . . 2.500 2.168 2.021 2.333 . 0 0 "[ . 1 . 2]" 1
708 1 76 VAL O 1 80 LEU N . . 3.500 2.837 2.714 2.987 . 0 0 "[ . 1 . 2]" 1
709 1 77 LEU H 1 77 LEU HB2 . . 3.600 3.573 3.551 3.590 . 0 0 "[ . 1 . 2]" 1
710 1 77 LEU H 1 77 LEU HB3 . . 3.180 2.730 2.612 2.822 . 0 0 "[ . 1 . 2]" 1
711 1 77 LEU H 1 77 LEU MD1 . . 4.040 3.588 3.492 3.702 . 0 0 "[ . 1 . 2]" 1
712 1 77 LEU H 1 77 LEU MD2 . . 3.450 2.762 2.425 2.973 . 0 0 "[ . 1 . 2]" 1
713 1 77 LEU H 1 77 LEU HG . . 3.410 1.958 1.868 2.135 . 0 0 "[ . 1 . 2]" 1
714 1 77 LEU H 1 78 LYS H . . 3.490 2.661 2.589 2.724 . 0 0 "[ . 1 . 2]" 1
715 1 77 LEU H 1 92 LEU MD1 . . 4.330 3.635 3.008 4.124 . 0 0 "[ . 1 . 2]" 1
716 1 77 LEU HA 1 80 LEU H . . 4.320 3.156 3.073 3.254 . 0 0 "[ . 1 . 2]" 1
717 1 77 LEU HA 1 80 LEU QD . . 3.890 2.635 2.311 3.070 . 0 0 "[ . 1 . 2]" 1
718 1 77 LEU HB2 1 78 LYS H . . 3.680 3.397 3.200 3.565 . 0 0 "[ . 1 . 2]" 1
719 1 77 LEU HB2 1 92 LEU MD1 . . 4.380 3.462 3.148 3.942 . 0 0 "[ . 1 . 2]" 1
720 1 77 LEU HB3 1 77 LEU MD2 . . 3.640 2.047 1.923 2.140 . 0 0 "[ . 1 . 2]" 1
721 1 77 LEU MD1 1 78 LYS H . . 3.510 2.286 1.931 2.777 . 0 0 "[ . 1 . 2]" 1
722 1 77 LEU MD1 1 101 ARG QD . . 3.790 2.404 1.884 3.099 . 0 0 "[ . 1 . 2]" 1
723 1 77 LEU MD2 1 78 LYS H . . 4.130 3.670 3.617 3.725 . 0 0 "[ . 1 . 2]" 1
724 1 77 LEU MD2 1 101 ARG QB . . 4.330 3.700 3.003 4.414 0.084 20 0 "[ . 1 . 2]" 1
725 1 77 LEU MD2 1 101 ARG QD . . 4.370 4.333 4.103 4.429 0.059 7 0 "[ . 1 . 2]" 1
726 1 77 LEU HG 1 101 ARG QD . . 4.640 4.247 3.812 4.683 0.043 7 0 "[ . 1 . 2]" 1
727 1 77 LEU O 1 81 LYS H . . 2.500 2.039 1.808 2.258 . 0 0 "[ . 1 . 2]" 1
728 1 77 LEU O 1 81 LYS N . . 3.500 2.898 2.725 3.111 . 0 0 "[ . 1 . 2]" 1
729 1 78 LYS H 1 78 LYS QB . . 2.780 2.136 2.081 2.205 . 0 0 "[ . 1 . 2]" 1
730 1 78 LYS H 1 78 LYS QG . . 3.940 3.794 3.660 3.935 . 0 0 "[ . 1 . 2]" 1
731 1 78 LYS H 1 79 GLY QA . . 4.770 4.728 4.680 4.776 0.006 12 0 "[ . 1 . 2]" 1
732 1 78 LYS HA 1 78 LYS QD . . 3.910 3.268 2.068 4.096 0.186 9 0 "[ . 1 . 2]" 1
733 1 78 LYS HA 1 78 LYS QE . . 4.290 3.631 3.063 4.252 . 0 0 "[ . 1 . 2]" 1
734 1 78 LYS HA 1 81 LYS QB . . 3.860 3.537 3.244 3.907 0.047 18 0 "[ . 1 . 2]" 1
735 1 78 LYS QB 1 78 LYS QD . . 3.280 2.292 1.946 2.816 . 0 0 "[ . 1 . 2]" 1
736 1 78 LYS QB 1 78 LYS QE . . 3.800 2.547 1.917 3.603 . 0 0 "[ . 1 . 2]" 1
737 1 78 LYS QB 1 79 GLY H . . 3.210 2.523 2.404 2.639 . 0 0 "[ . 1 . 2]" 1
738 1 78 LYS QB 1 101 ARG QB . . 3.990 3.966 3.451 4.145 0.155 7 0 "[ . 1 . 2]" 1
739 1 78 LYS QB 1 101 ARG QG . . 4.500 3.574 2.442 4.508 0.008 18 0 "[ . 1 . 2]" 1
740 1 78 LYS QD 1 101 ARG QD . . 3.930 3.619 2.924 3.975 0.045 1 0 "[ . 1 . 2]" 1
741 1 78 LYS QE 1 79 GLY H . . 3.800 3.712 3.260 3.884 0.084 19 0 "[ . 1 . 2]" 1
742 1 78 LYS QE 1 79 GLY QA . . 3.430 2.940 2.391 3.471 0.041 14 0 "[ . 1 . 2]" 1
743 1 78 LYS QG 1 79 GLY QA . . 4.920 4.398 2.934 4.934 0.014 15 0 "[ . 1 . 2]" 1
744 1 78 LYS QG 1 81 LYS QB . . 5.300 4.646 4.246 5.009 . 0 0 "[ . 1 . 2]" 1
745 1 78 LYS QG 1 101 ARG QB . . 4.900 4.017 3.293 4.968 0.068 2 0 "[ . 1 . 2]" 1
746 1 79 GLY H 1 80 LEU H . . 3.460 2.409 2.311 2.501 . 0 0 "[ . 1 . 2]" 1
747 1 79 GLY QA 1 82 VAL HB . . 4.210 4.165 3.924 4.240 0.030 7 0 "[ . 1 . 2]" 1
748 1 79 GLY QA 1 82 VAL QG . . 4.220 3.169 3.002 3.439 . 0 0 "[ . 1 . 2]" 1
749 1 80 LEU H 1 80 LEU QB . . 3.350 2.100 2.040 2.238 . 0 0 "[ . 1 . 2]" 1
750 1 80 LEU H 1 80 LEU QD . . 3.820 3.262 2.654 3.642 . 0 0 "[ . 1 . 2]" 1
751 1 80 LEU H 1 81 LYS H . . 3.560 2.474 2.462 2.497 . 0 0 "[ . 1 . 2]" 1
752 1 80 LEU H 1 82 VAL QG . . 4.920 4.997 4.969 5.027 0.107 20 0 "[ . 1 . 2]" 1
753 1 80 LEU HA 1 83 MET H . . 3.880 3.517 3.472 3.581 . 0 0 "[ . 1 . 2]" 1
754 1 80 LEU HA 1 83 MET ME . . 5.070 4.705 3.226 5.134 0.064 12 0 "[ . 1 . 2]" 1
755 1 80 LEU QB 1 81 LYS H . . 3.090 2.869 2.758 2.910 . 0 0 "[ . 1 . 2]" 1
756 1 81 LYS H 1 81 LYS QB . . 3.120 2.203 2.063 2.430 . 0 0 "[ . 1 . 2]" 1
757 1 81 LYS H 1 81 LYS QD . . 4.650 4.286 2.896 4.577 . 0 0 "[ . 1 . 2]" 1
758 1 81 LYS H 1 81 LYS QG . . 3.570 2.845 2.391 3.402 . 0 0 "[ . 1 . 2]" 1
759 1 81 LYS H 1 82 VAL H . . 3.440 2.964 2.919 2.998 . 0 0 "[ . 1 . 2]" 1
760 1 81 LYS HA 1 81 LYS QD . . 3.720 3.150 2.325 3.732 0.012 16 0 "[ . 1 . 2]" 1
761 1 81 LYS HA 1 81 LYS QG . . 4.020 2.214 2.046 2.515 . 0 0 "[ . 1 . 2]" 1
762 1 81 LYS HA 1 84 ASN H . . 3.890 3.385 3.309 3.518 . 0 0 "[ . 1 . 2]" 1
763 1 81 LYS HA 1 84 ASN HA . . 3.980 4.064 3.986 4.185 0.205 11 0 "[ . 1 . 2]" 1
764 1 81 LYS HA 1 85 LEU H . . 4.090 3.553 3.247 3.835 . 0 0 "[ . 1 . 2]" 1
765 1 81 LYS QB 1 82 VAL H . . 3.990 2.370 2.230 2.486 . 0 0 "[ . 1 . 2]" 1
766 1 81 LYS QG 1 89 VAL MG2 . . 4.380 4.331 3.989 4.407 0.027 5 0 "[ . 1 . 2]" 1
767 1 82 VAL H 1 82 VAL HB . . 3.050 2.609 2.168 2.814 . 0 0 "[ . 1 . 2]" 1
768 1 82 VAL H 1 82 VAL MG1 . . 3.850 3.453 2.768 3.741 . 0 0 "[ . 1 . 2]" 1
769 1 82 VAL H 1 82 VAL MG2 . . 3.850 2.391 1.861 3.600 . 0 0 "[ . 1 . 2]" 1
770 1 82 VAL H 1 83 MET H . . 3.380 2.732 2.717 2.758 . 0 0 "[ . 1 . 2]" 1
771 1 82 VAL HA 1 82 VAL MG1 . . 3.530 2.454 2.113 3.132 . 0 0 "[ . 1 . 2]" 1
772 1 82 VAL HA 1 82 VAL QG . . 2.940 2.053 2.009 2.098 . 0 0 "[ . 1 . 2]" 1
773 1 82 VAL HA 1 82 VAL MG2 . . 3.530 2.381 2.091 2.513 . 0 0 "[ . 1 . 2]" 1
774 1 82 VAL HB 1 83 MET H . . 3.620 3.622 3.429 4.029 0.409 19 0 "[ . 1 . 2]" 1
775 1 82 VAL QG 1 83 MET H . . 3.640 3.341 2.738 3.604 . 0 0 "[ . 1 . 2]" 1
776 1 82 VAL QG 1 84 ASN H . . 5.120 4.403 4.115 4.564 . 0 0 "[ . 1 . 2]" 1
777 1 82 VAL MG1 1 83 MET H . . 4.190 3.767 2.768 4.193 0.003 5 0 "[ . 1 . 2]" 1
778 1 82 VAL MG2 1 83 MET H . . 4.190 4.030 3.865 4.338 0.148 11 0 "[ . 1 . 2]" 1
779 1 83 MET H 1 83 MET HB2 . . 3.890 2.601 2.300 2.797 . 0 0 "[ . 1 . 2]" 1
780 1 83 MET H 1 83 MET QB . . 3.230 2.389 2.272 2.527 . 0 0 "[ . 1 . 2]" 1
781 1 83 MET H 1 83 MET HB3 . . 3.890 3.009 2.590 3.708 . 0 0 "[ . 1 . 2]" 1
782 1 83 MET H 1 83 MET QG . . 4.110 3.708 2.579 4.142 0.032 3 0 "[ . 1 . 2]" 1
783 1 83 MET H 1 84 ASN H . . 3.250 2.143 2.098 2.225 . 0 0 "[ . 1 . 2]" 1
784 1 83 MET HA 1 83 MET QG . . 3.660 2.730 2.250 2.981 . 0 0 "[ . 1 . 2]" 1
785 1 83 MET QB 1 83 MET ME . . 3.620 2.708 2.019 3.340 . 0 0 "[ . 1 . 2]" 1
786 1 83 MET ME 1 85 LEU QD . . 3.000 3.077 2.791 3.221 0.221 9 0 "[ . 1 . 2]" 1
787 1 84 ASN H 1 84 ASN HA . . 2.790 2.279 2.274 2.288 . 0 0 "[ . 1 . 2]" 1
788 1 84 ASN H 1 84 ASN HB2 . . 4.160 3.332 3.089 3.807 . 0 0 "[ . 1 . 2]" 1
789 1 84 ASN H 1 84 ASN QB . . 3.580 3.166 2.957 3.480 . 0 0 "[ . 1 . 2]" 1
790 1 84 ASN H 1 84 ASN HB3 . . 4.160 4.001 3.778 4.097 . 0 0 "[ . 1 . 2]" 1
791 1 84 ASN H 1 85 LEU QD . . 4.100 3.910 3.647 4.125 0.025 12 0 "[ . 1 . 2]" 1
792 1 84 ASN HA 1 85 LEU H . . 3.540 2.830 2.512 2.940 . 0 0 "[ . 1 . 2]" 1
793 1 84 ASN QB 1 85 LEU QD . . 4.080 3.712 3.482 3.860 . 0 0 "[ . 1 . 2]" 1
794 1 85 LEU H 1 85 LEU QB . . 3.240 2.177 2.104 2.391 . 0 0 "[ . 1 . 2]" 1
795 1 85 LEU H 1 85 LEU QD . . 3.390 2.751 2.357 3.080 . 0 0 "[ . 1 . 2]" 1
796 1 85 LEU H 1 86 LEU H . . 4.200 2.805 2.478 2.950 . 0 0 "[ . 1 . 2]" 1
797 1 85 LEU H 1 89 VAL MG2 . . 4.550 4.272 3.671 4.621 0.071 8 0 "[ . 1 . 2]" 1
798 1 85 LEU HA 1 85 LEU QD . . 3.270 1.888 1.837 2.071 . 0 0 "[ . 1 . 2]" 1
799 1 85 LEU HA 1 86 LEU H . . 2.960 2.946 2.923 3.006 0.046 9 0 "[ . 1 . 2]" 1
800 1 85 LEU HA 1 87 GLU H . . 3.890 2.982 2.901 3.081 . 0 0 "[ . 1 . 2]" 1
801 1 85 LEU HA 1 87 GLU QB . . 3.700 3.531 3.471 3.567 . 0 0 "[ . 1 . 2]" 1
802 1 85 LEU HA 1 88 LEU H . . 4.950 4.537 4.355 4.739 . 0 0 "[ . 1 . 2]" 1
803 1 85 LEU QB 1 88 LEU H . . 4.410 4.372 4.095 4.465 0.055 20 0 "[ . 1 . 2]" 1
804 1 85 LEU QB 1 89 VAL MG2 . . 4.310 2.471 2.005 3.005 . 0 0 "[ . 1 . 2]" 1
805 1 85 LEU QD 1 86 LEU H . . 4.130 3.989 3.966 4.007 . 0 0 "[ . 1 . 2]" 1
806 1 85 LEU QD 1 87 GLU H . . 3.830 3.561 3.262 3.784 . 0 0 "[ . 1 . 2]" 1
807 1 85 LEU QD 1 88 LEU H . . 3.560 3.360 3.124 3.580 0.020 15 0 "[ . 1 . 2]" 1
808 1 85 LEU O 1 89 VAL H . . 2.500 2.325 2.080 2.471 . 0 0 "[ . 1 . 2]" 1
809 1 85 LEU O 1 89 VAL N . . 3.500 3.225 2.981 3.380 . 0 0 "[ . 1 . 2]" 1
810 1 86 LEU H 1 86 LEU QB . . 2.860 2.373 2.094 2.734 . 0 0 "[ . 1 . 2]" 1
811 1 86 LEU H 1 86 LEU HG . . 3.250 2.670 1.876 3.258 0.008 17 0 "[ . 1 . 2]" 1
812 1 86 LEU H 1 87 GLU H . . 3.980 2.686 2.636 2.748 . 0 0 "[ . 1 . 2]" 1
813 1 86 LEU HA 1 89 VAL H . . 3.640 3.566 3.424 3.659 0.019 17 0 "[ . 1 . 2]" 1
814 1 86 LEU HA 1 89 VAL HA . . 4.980 4.843 4.753 4.931 . 0 0 "[ . 1 . 2]" 1
815 1 86 LEU HA 1 89 VAL HB . . 3.390 1.926 1.763 2.065 . 0 0 "[ . 1 . 2]" 1
816 1 86 LEU QB 1 89 VAL HB . . 4.370 3.878 3.581 4.157 . 0 0 "[ . 1 . 2]" 1
817 1 86 LEU O 1 90 ASP H . . 2.500 2.187 1.871 2.431 . 0 0 "[ . 1 . 2]" 1
818 1 86 LEU O 1 90 ASP N . . 3.500 2.930 2.672 3.157 . 0 0 "[ . 1 . 2]" 1
819 1 87 GLU H 1 87 GLU QB . . 3.780 2.242 2.227 2.250 . 0 0 "[ . 1 . 2]" 1
820 1 87 GLU H 1 88 LEU H . . 3.580 3.257 3.147 3.339 . 0 0 "[ . 1 . 2]" 1
821 1 87 GLU HA 1 87 GLU QG . . 3.510 2.669 2.480 3.143 . 0 0 "[ . 1 . 2]" 1
822 1 87 GLU HA 1 90 ASP QB . . 4.110 3.786 3.455 4.113 0.003 20 0 "[ . 1 . 2]" 1
823 1 87 GLU QB 1 88 LEU H . . 3.800 1.961 1.876 2.054 . 0 0 "[ . 1 . 2]" 1
824 1 87 GLU QB 1 88 LEU MD1 . . 3.480 2.875 2.579 3.110 . 0 0 "[ . 1 . 2]" 1
825 1 87 GLU QG 1 88 LEU HA . . 3.800 3.280 3.103 3.460 . 0 0 "[ . 1 . 2]" 1
826 1 87 GLU QG 1 88 LEU QB . . 4.130 3.258 2.737 4.188 0.058 8 0 "[ . 1 . 2]" 1
827 1 87 GLU QG 1 88 LEU MD1 . . 3.580 3.113 1.780 3.603 0.023 4 0 "[ . 1 . 2]" 1
828 1 88 LEU H 1 88 LEU QB . . 3.250 2.365 2.232 2.685 . 0 0 "[ . 1 . 2]" 1
829 1 88 LEU H 1 88 LEU MD2 . . 3.870 3.272 1.746 3.856 . 0 0 "[ . 1 . 2]" 1
830 1 88 LEU H 1 88 LEU HG . . 3.730 3.790 3.628 3.870 0.140 15 0 "[ . 1 . 2]" 1
831 1 88 LEU HA 1 88 LEU MD1 . . 3.620 3.084 1.938 3.461 . 0 0 "[ . 1 . 2]" 1
832 1 88 LEU HA 1 88 LEU MD2 . . 3.420 3.314 3.188 3.534 0.114 11 0 "[ . 1 . 2]" 1
833 1 88 LEU HA 1 91 GLN QB . . 4.860 4.496 4.273 5.038 0.178 14 0 "[ . 1 . 2]" 1
834 1 88 LEU MD1 1 89 VAL H . . 4.140 2.364 1.586 4.219 0.079 8 0 "[ . 1 . 2]" 1
835 1 88 LEU MD1 1 90 ASP H . . 4.750 4.235 3.959 4.956 0.206 10 0 "[ . 1 . 2]" 1
836 1 88 LEU MD2 1 89 VAL H . . 3.300 2.783 2.414 3.254 . 0 0 "[ . 1 . 2]" 1
837 1 88 LEU MD2 1 89 VAL HB . . 4.740 4.093 3.633 4.847 0.107 10 0 "[ . 1 . 2]" 1
838 1 88 LEU O 1 92 LEU H . . 2.500 2.594 2.397 2.672 0.172 2 0 "[ . 1 . 2]" 1
839 1 88 LEU O 1 92 LEU N . . 3.500 3.491 3.296 3.565 0.065 2 0 "[ . 1 . 2]" 1
840 1 89 VAL H 1 89 VAL HB . . 3.190 2.283 2.154 2.419 . 0 0 "[ . 1 . 2]" 1
841 1 89 VAL H 1 89 VAL MG2 . . 3.410 2.644 2.261 2.967 . 0 0 "[ . 1 . 2]" 1
842 1 89 VAL H 1 90 ASP H . . 3.440 2.660 2.585 2.716 . 0 0 "[ . 1 . 2]" 1
843 1 89 VAL HA 1 89 VAL MG1 . . 3.430 2.598 2.476 2.785 . 0 0 "[ . 1 . 2]" 1
844 1 89 VAL HA 1 92 LEU QB . . 4.720 2.072 2.041 2.129 . 0 0 "[ . 1 . 2]" 1
845 1 89 VAL HB 1 90 ASP H . . 3.330 3.046 2.859 3.239 . 0 0 "[ . 1 . 2]" 1
846 1 89 VAL MG1 1 90 ASP H . . 3.710 3.232 2.901 3.508 . 0 0 "[ . 1 . 2]" 1
847 1 89 VAL MG1 1 90 ASP HA . . 3.720 3.196 2.946 3.451 . 0 0 "[ . 1 . 2]" 1
848 1 89 VAL O 1 93 SER H . . 2.500 1.839 1.792 1.902 . 0 0 "[ . 1 . 2]" 1
849 1 89 VAL O 1 93 SER N . . 3.500 2.793 2.715 2.879 . 0 0 "[ . 1 . 2]" 1
850 1 90 ASP H 1 91 GLN H . . 3.510 3.056 3.035 3.096 . 0 0 "[ . 1 . 2]" 1
851 1 90 ASP O 1 94 HIS H . . 2.500 2.564 2.525 2.601 0.101 20 0 "[ . 1 . 2]" 1
852 1 90 ASP O 1 94 HIS N . . 3.500 3.458 3.322 3.508 0.008 1 0 "[ . 1 . 2]" 1
853 1 91 GLN H 1 91 GLN HB2 . . 3.770 2.329 2.105 3.576 . 0 0 "[ . 1 . 2]" 1
854 1 91 GLN H 1 91 GLN QB . . 3.190 2.253 2.081 2.745 . 0 0 "[ . 1 . 2]" 1
855 1 91 GLN H 1 91 GLN HB3 . . 3.770 3.341 2.851 3.619 . 0 0 "[ . 1 . 2]" 1
856 1 91 GLN H 1 92 LEU H . . 3.820 2.683 2.660 2.714 . 0 0 "[ . 1 . 2]" 1
857 1 91 GLN H 1 92 LEU QB . . 4.430 4.179 4.145 4.223 . 0 0 "[ . 1 . 2]" 1
858 1 91 GLN H 1 93 SER H . . 4.320 4.194 4.138 4.282 . 0 0 "[ . 1 . 2]" 1
859 1 91 GLN HA 1 91 GLN QG . . 3.750 2.338 2.011 3.336 . 0 0 "[ . 1 . 2]" 1
860 1 91 GLN QB 1 92 LEU HA . . 5.070 3.687 3.598 4.004 . 0 0 "[ . 1 . 2]" 1
861 1 91 GLN QG 1 92 LEU H . . 4.830 4.002 1.815 4.231 . 0 0 "[ . 1 . 2]" 1
862 1 91 GLN O 1 95 ILE H . . 2.500 2.204 2.072 2.507 0.007 17 0 "[ . 1 . 2]" 1
863 1 91 GLN O 1 95 ILE N . . 3.500 2.728 2.639 2.961 . 0 0 "[ . 1 . 2]" 1
864 1 92 LEU H 1 92 LEU MD1 . . 3.940 4.045 4.011 4.080 0.140 19 0 "[ . 1 . 2]" 1
865 1 92 LEU H 1 92 LEU MD2 . . 5.500 4.028 4.003 4.062 . 0 0 "[ . 1 . 2]" 1
866 1 92 LEU H 1 93 SER H . . 3.690 3.121 3.091 3.154 . 0 0 "[ . 1 . 2]" 1
867 1 92 LEU HA 1 92 LEU MD1 . . 3.500 3.466 3.384 3.493 . 0 0 "[ . 1 . 2]" 1
868 1 92 LEU HA 1 92 LEU MD2 . . 4.010 2.026 1.973 2.118 . 0 0 "[ . 1 . 2]" 1
869 1 92 LEU QB 1 92 LEU MD1 . . 3.180 2.034 2.007 2.070 . 0 0 "[ . 1 . 2]" 1
870 1 92 LEU MD1 1 93 SER HA . . 3.810 2.388 2.321 2.440 . 0 0 "[ . 1 . 2]" 1
871 1 92 LEU MD1 1 96 CYS H . . 3.960 3.981 3.891 4.022 0.062 20 0 "[ . 1 . 2]" 1
872 1 92 LEU MD1 1 96 CYS HB2 . . 4.060 3.553 2.819 4.106 0.046 11 0 "[ . 1 . 2]" 1
873 1 92 LEU MD1 1 96 CYS QB . . 3.500 3.061 2.643 3.314 . 0 0 "[ . 1 . 2]" 1
874 1 92 LEU MD1 1 96 CYS HB3 . . 4.060 3.509 2.791 4.073 0.013 13 0 "[ . 1 . 2]" 1
875 1 92 LEU MD2 1 95 ILE H . . 4.090 4.053 3.850 4.172 0.082 20 0 "[ . 1 . 2]" 1
876 1 92 LEU MD2 1 96 CYS H . . 3.890 3.510 3.332 3.821 . 0 0 "[ . 1 . 2]" 1
877 1 92 LEU MD2 1 96 CYS HA . . 4.630 4.609 4.313 4.772 0.142 17 0 "[ . 1 . 2]" 1
878 1 92 LEU MD2 1 96 CYS QB . . 3.620 2.413 2.048 2.692 . 0 0 "[ . 1 . 2]" 1
879 1 93 SER H 1 94 HIS H . . 3.990 2.722 2.598 2.782 . 0 0 "[ . 1 . 2]" 1
880 1 93 SER HA 1 95 ILE H . . 4.450 3.565 3.411 3.628 . 0 0 "[ . 1 . 2]" 1
881 1 93 SER HA 1 96 CYS H . . 4.110 3.292 2.955 3.495 . 0 0 "[ . 1 . 2]" 1
882 1 94 HIS H 1 95 ILE H . . 4.220 2.636 2.609 2.694 . 0 0 "[ . 1 . 2]" 1
883 1 94 HIS H 1 96 CYS H . . 4.710 4.247 4.102 4.467 . 0 0 "[ . 1 . 2]" 1
884 1 95 ILE H 1 95 ILE HB . . 3.350 2.552 2.409 2.767 . 0 0 "[ . 1 . 2]" 1
885 1 95 ILE H 1 95 ILE HG12 . . 4.170 3.722 2.770 4.217 0.047 17 0 "[ . 1 . 2]" 1
886 1 95 ILE H 1 95 ILE QG . . 3.370 2.696 2.429 2.876 . 0 0 "[ . 1 . 2]" 1
887 1 95 ILE H 1 95 ILE HG13 . . 4.170 2.957 2.468 4.078 . 0 0 "[ . 1 . 2]" 1
888 1 95 ILE H 1 95 ILE MG . . 4.550 3.807 3.730 3.895 . 0 0 "[ . 1 . 2]" 1
889 1 95 ILE H 1 96 CYS H . . 3.990 2.027 1.894 2.216 . 0 0 "[ . 1 . 2]" 1
890 1 95 ILE H 1 96 CYS HA . . 4.970 4.772 4.648 4.915 . 0 0 "[ . 1 . 2]" 1
891 1 95 ILE HA 1 95 ILE MG . . 3.580 2.368 2.246 2.458 . 0 0 "[ . 1 . 2]" 1
892 1 95 ILE HB 1 96 CYS H . . 4.220 2.939 2.688 3.211 . 0 0 "[ . 1 . 2]" 1
893 1 95 ILE MD 1 95 ILE MG . . 3.320 2.050 1.729 2.360 . 0 0 "[ . 1 . 2]" 1
894 1 95 ILE QG 1 95 ILE MG . . 3.290 2.294 2.134 2.609 . 0 0 "[ . 1 . 2]" 1
895 1 96 CYS H 1 97 LEU H . . 3.990 2.370 2.086 2.699 . 0 0 "[ . 1 . 2]" 1
896 1 101 ARG HA 1 101 ARG QD . . 4.370 3.613 2.278 4.246 . 0 0 "[ . 1 . 2]" 1
897 1 101 ARG HA 1 101 ARG QG . . 3.530 2.477 2.047 3.152 . 0 0 "[ . 1 . 2]" 1
898 1 101 ARG HA 1 102 GLU H . . 2.910 2.281 2.141 2.762 . 0 0 "[ . 1 . 2]" 1
899 1 101 ARG QB 1 101 ARG QD . . 3.490 2.083 1.901 2.633 . 0 0 "[ . 1 . 2]" 1
900 1 102 GLU H 1 102 GLU HG2 . . 4.640 3.333 1.967 4.634 . 0 0 "[ . 1 . 2]" 1
901 1 102 GLU H 1 102 GLU QG . . 3.760 2.799 1.943 3.764 0.004 2 0 "[ . 1 . 2]" 1
902 1 102 GLU H 1 102 GLU HG3 . . 4.640 3.389 2.340 4.425 . 0 0 "[ . 1 . 2]" 1
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