NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405025 |
1x4r   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4r
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 1978
_Distance_constraint_stats_list.Viol_count 1137
_Distance_constraint_stats_list.Viol_total 339.795
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0149
_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 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.053 0.036 4 0 "[ . 1 . 2]"
1 14 LYS 0.053 0.036 4 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.092 0.064 19 0 "[ . 1 . 2]"
1 17 GLU 0.025 0.025 5 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.112 0.064 19 0 "[ . 1 . 2]"
1 20 ALA 0.040 0.025 5 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 TYR 0.004 0.004 3 0 "[ . 1 . 2]"
1 23 ILE 0.047 0.011 16 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.451 0.151 18 0 "[ . 1 . 2]"
1 26 TYR 0.011 0.010 8 0 "[ . 1 . 2]"
1 27 VAL 0.123 0.034 16 0 "[ . 1 . 2]"
1 28 GLU 0.225 0.021 18 0 "[ . 1 . 2]"
1 29 TRP 0.408 0.034 8 0 "[ . 1 . 2]"
1 30 GLN 0.408 0.039 12 0 "[ . 1 . 2]"
1 31 TYR 0.760 0.025 9 0 "[ . 1 . 2]"
1 32 ILE 0.794 0.046 13 0 "[ . 1 . 2]"
1 33 ASP 0.316 0.047 3 0 "[ . 1 . 2]"
1 34 LYS 0.331 0.047 3 0 "[ . 1 . 2]"
1 35 ASN 0.002 0.002 13 0 "[ . 1 . 2]"
1 36 ILE 0.233 0.050 11 0 "[ . 1 . 2]"
1 37 THR 1.619 0.050 11 0 "[ . 1 . 2]"
1 38 GLN 0.087 0.015 9 0 "[ . 1 . 2]"
1 39 CYS 0.121 0.021 18 0 "[ . 1 . 2]"
1 40 PHE 0.116 0.025 15 0 "[ . 1 . 2]"
1 41 ASP 0.059 0.052 1 0 "[ . 1 . 2]"
1 42 LYS 0.058 0.052 1 0 "[ . 1 . 2]"
1 43 MET 0.052 0.024 17 0 "[ . 1 . 2]"
1 44 THR 0.094 0.018 15 0 "[ . 1 . 2]"
1 45 ASN 0.140 0.020 14 0 "[ . 1 . 2]"
1 46 MET 0.225 0.031 8 0 "[ . 1 . 2]"
1 47 LYS 0.341 0.120 18 0 "[ . 1 . 2]"
1 48 LEU 0.328 0.028 11 0 "[ . 1 . 2]"
1 49 GLU 0.075 0.012 8 0 "[ . 1 . 2]"
1 50 VAL 0.282 0.039 11 0 "[ . 1 . 2]"
1 51 ALA 0.267 0.039 11 0 "[ . 1 . 2]"
1 52 TRP 0.996 0.055 15 0 "[ . 1 . 2]"
1 53 LYS 0.994 0.095 10 0 "[ . 1 . 2]"
1 54 ALA 0.228 0.026 7 0 "[ . 1 . 2]"
1 55 LYS 0.013 0.008 20 0 "[ . 1 . 2]"
1 56 LYS 0.269 0.035 11 0 "[ . 1 . 2]"
1 57 LYS 0.431 0.056 18 0 "[ . 1 . 2]"
1 58 ASP 0.217 0.041 12 0 "[ . 1 . 2]"
1 59 THR 0.255 0.037 9 0 "[ . 1 . 2]"
1 60 VAL 0.571 0.061 9 0 "[ . 1 . 2]"
1 61 VAL 0.354 0.049 2 0 "[ . 1 . 2]"
1 62 GLN 0.693 0.082 6 0 "[ . 1 . 2]"
1 63 ILE 0.947 0.044 8 0 "[ . 1 . 2]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASN 0.247 0.029 16 0 "[ . 1 . 2]"
1 66 GLN 0.107 0.031 4 0 "[ . 1 . 2]"
1 67 ASP 0.226 0.025 12 0 "[ . 1 . 2]"
1 68 PHE 2.186 0.061 9 0 "[ . 1 . 2]"
1 69 THR 0.739 0.038 9 0 "[ . 1 . 2]"
1 70 VAL 0.418 0.038 9 0 "[ . 1 . 2]"
1 71 ASP 0.271 0.056 18 0 "[ . 1 . 2]"
1 72 LEU 0.482 0.047 18 0 "[ . 1 . 2]"
1 73 SER 0.187 0.032 20 0 "[ . 1 . 2]"
1 74 THR 0.086 0.032 20 0 "[ . 1 . 2]"
1 75 ASN 0.289 0.029 12 0 "[ . 1 . 2]"
1 76 THR 0.020 0.011 2 0 "[ . 1 . 2]"
1 77 ALA 0.627 0.049 2 0 "[ . 1 . 2]"
1 78 THR 1.378 0.074 20 0 "[ . 1 . 2]"
1 79 ALA 1.168 0.059 19 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 2.454 0.120 12 0 "[ . 1 . 2]"
1 82 GLY 1.345 0.059 19 0 "[ . 1 . 2]"
1 83 GLN 0.080 0.009 11 0 "[ . 1 . 2]"
1 84 THR 0.550 0.034 5 0 "[ . 1 . 2]"
1 85 PHE 1.395 0.074 20 0 "[ . 1 . 2]"
1 86 THR 0.062 0.013 1 0 "[ . 1 . 2]"
1 87 VAL 0.182 0.029 15 0 "[ . 1 . 2]"
1 88 GLN 0.607 0.147 13 0 "[ . 1 . 2]"
1 89 ARG 0.297 0.049 8 0 "[ . 1 . 2]"
1 90 LEU 0.306 0.049 8 0 "[ . 1 . 2]"
1 91 VAL 0.175 0.038 8 0 "[ . 1 . 2]"
1 92 LYS 0.076 0.025 12 0 "[ . 1 . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 60 VAL HA 1 70 VAL H . . 3.740 2.824 2.711 2.930 . 0 0 "[ . 1 . 2]" 1
2 1 69 THR HA 1 70 VAL H . . 2.900 2.159 2.152 2.170 . 0 0 "[ . 1 . 2]" 1
3 1 70 VAL H 1 70 VAL HB . . 3.250 2.471 2.417 2.540 . 0 0 "[ . 1 . 2]" 1
4 1 69 THR MG 1 70 VAL H . . 3.670 2.914 2.840 3.091 . 0 0 "[ . 1 . 2]" 1
5 1 60 VAL MG2 1 70 VAL H . . 4.110 3.816 3.656 4.041 . 0 0 "[ . 1 . 2]" 1
6 1 70 VAL H 1 70 VAL MG2 . . 3.360 2.533 2.376 2.696 . 0 0 "[ . 1 . 2]" 1
7 1 70 VAL H 1 70 VAL MG1 . . 3.820 3.774 3.742 3.798 . 0 0 "[ . 1 . 2]" 1
8 1 68 PHE QD 1 79 ALA H . . 4.460 4.269 4.150 4.392 . 0 0 "[ . 1 . 2]" 1
9 1 79 ALA H 1 84 THR HA . . 4.190 3.976 3.906 4.136 . 0 0 "[ . 1 . 2]" 1
10 1 90 LEU H 1 90 LEU HB2 . . 3.510 2.884 2.835 2.974 . 0 0 "[ . 1 . 2]" 1
11 1 29 TRP HZ2 1 52 TRP HE1 . . 5.420 5.266 5.068 5.422 0.002 19 0 "[ . 1 . 2]" 1
12 1 76 THR MG 1 77 ALA H . . 3.080 2.272 2.193 2.472 . 0 0 "[ . 1 . 2]" 1
13 1 77 ALA H 1 87 VAL MG2 . . 4.510 3.623 3.485 3.717 . 0 0 "[ . 1 . 2]" 1
14 1 28 GLU H 1 90 LEU H . . 4.350 3.179 3.039 3.366 . 0 0 "[ . 1 . 2]" 1
15 1 27 VAL HA 1 28 GLU H . . 3.170 2.290 2.158 2.347 . 0 0 "[ . 1 . 2]" 1
16 1 70 VAL MG2 1 71 ASP H . . 4.330 4.108 4.051 4.187 . 0 0 "[ . 1 . 2]" 1
17 1 29 TRP H 1 29 TRP HB2 . . 3.550 2.489 2.338 2.623 . 0 0 "[ . 1 . 2]" 1
18 1 29 TRP H 1 29 TRP HB3 . . 3.880 3.678 3.595 3.746 . 0 0 "[ . 1 . 2]" 1
19 1 32 ILE HA 1 33 ASP H . . 2.980 2.157 2.152 2.164 . 0 0 "[ . 1 . 2]" 1
20 1 58 ASP HB2 1 72 LEU H . . 4.780 4.318 4.036 4.479 . 0 0 "[ . 1 . 2]" 1
21 1 72 LEU H 1 72 LEU MD2 . . 4.310 3.642 3.528 3.725 . 0 0 "[ . 1 . 2]" 1
22 1 71 ASP HA 1 72 LEU H . . 2.990 2.140 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
23 1 72 LEU H 1 72 LEU QB . . 3.140 2.494 2.454 2.553 . 0 0 "[ . 1 . 2]" 1
24 1 72 LEU H 1 72 LEU MD1 . . 4.040 3.239 3.119 3.340 . 0 0 "[ . 1 . 2]" 1
25 1 88 GLN HA 1 89 ARG H . . 2.700 2.206 2.172 2.246 . 0 0 "[ . 1 . 2]" 1
26 1 88 GLN QG 1 89 ARG H . . 4.270 4.058 3.921 4.131 . 0 0 "[ . 1 . 2]" 1
27 1 88 GLN HB3 1 89 ARG H . . 4.310 4.019 3.865 4.127 . 0 0 "[ . 1 . 2]" 1
28 1 88 GLN HB2 1 89 ARG H . . 3.540 3.003 2.863 3.152 . 0 0 "[ . 1 . 2]" 1
29 1 89 ARG H 1 89 ARG HB3 . . 3.160 2.715 2.657 2.805 . 0 0 "[ . 1 . 2]" 1
30 1 89 ARG H 1 89 ARG HB2 . . 3.340 2.638 2.487 2.791 . 0 0 "[ . 1 . 2]" 1
31 1 59 THR HA 1 60 VAL H . . 3.130 2.175 2.152 2.209 . 0 0 "[ . 1 . 2]" 1
32 1 59 THR HB 1 60 VAL H . . 4.440 4.122 3.994 4.252 . 0 0 "[ . 1 . 2]" 1
33 1 60 VAL H 1 60 VAL HB . . 3.230 2.325 2.260 2.400 . 0 0 "[ . 1 . 2]" 1
34 1 60 VAL H 1 60 VAL MG2 . . 3.510 2.696 2.544 2.803 . 0 0 "[ . 1 . 2]" 1
35 1 59 THR MG 1 60 VAL H . . 4.020 3.936 3.798 4.025 0.005 13 0 "[ . 1 . 2]" 1
36 1 32 ILE HA 1 38 GLN H . . 3.900 3.355 3.294 3.398 . 0 0 "[ . 1 . 2]" 1
37 1 37 THR HA 1 38 GLN H . . 2.800 2.195 2.166 2.205 . 0 0 "[ . 1 . 2]" 1
38 1 37 THR HB 1 38 GLN H . . 4.470 4.372 4.338 4.396 . 0 0 "[ . 1 . 2]" 1
39 1 38 GLN H 1 38 GLN HB3 . . 3.790 3.707 3.673 3.747 . 0 0 "[ . 1 . 2]" 1
40 1 63 ILE MG 1 64 HIS H . . 4.340 2.770 2.500 3.040 . 0 0 "[ . 1 . 2]" 1
41 1 16 LYS HA 1 19 GLN H . . 3.900 3.667 3.520 3.902 0.002 10 0 "[ . 1 . 2]" 1
42 1 16 LYS QB 1 19 GLN H . . 4.250 4.248 4.149 4.314 0.064 19 0 "[ . 1 . 2]" 1
43 1 19 GLN H 1 20 ALA MB . . 4.540 4.191 3.877 4.541 0.001 20 0 "[ . 1 . 2]" 1
44 1 68 PHE H 1 68 PHE QD . . 3.680 3.236 3.202 3.268 . 0 0 "[ . 1 . 2]" 1
45 1 62 GLN HA 1 68 PHE H . . 3.990 3.411 3.247 3.512 . 0 0 "[ . 1 . 2]" 1
46 1 68 PHE H 1 68 PHE HB2 . . 3.480 2.531 2.523 2.539 . 0 0 "[ . 1 . 2]" 1
47 1 36 ILE HA 1 37 THR H . . 2.730 2.284 2.243 2.312 . 0 0 "[ . 1 . 2]" 1
48 1 36 ILE HB 1 37 THR H . . 3.700 3.694 3.650 3.750 0.050 11 0 "[ . 1 . 2]" 1
49 1 36 ILE MG 1 37 THR H . . 3.310 1.903 1.857 2.005 . 0 0 "[ . 1 . 2]" 1
50 1 66 GLN HA 1 67 ASP H . . 2.930 2.163 2.149 2.181 . 0 0 "[ . 1 . 2]" 1
51 1 67 ASP H 1 67 ASP HB2 . . 3.730 3.227 2.257 3.593 . 0 0 "[ . 1 . 2]" 1
52 1 67 ASP H 1 67 ASP HB3 . . 3.730 2.979 2.387 3.589 . 0 0 "[ . 1 . 2]" 1
53 1 66 GLN QB 1 67 ASP H . . 3.460 3.115 3.033 3.196 . 0 0 "[ . 1 . 2]" 1
54 1 63 ILE H 1 68 PHE QD . . 3.450 3.453 3.344 3.484 0.034 3 0 "[ . 1 . 2]" 1
55 1 62 GLN HA 1 63 ILE H . . 2.730 2.162 2.148 2.176 . 0 0 "[ . 1 . 2]" 1
56 1 63 ILE H 1 66 GLN QG . . 3.910 3.722 3.583 3.836 . 0 0 "[ . 1 . 2]" 1
57 1 62 GLN HB3 1 63 ILE H . . 3.890 3.747 3.654 3.816 . 0 0 "[ . 1 . 2]" 1
58 1 63 ILE H 1 63 ILE HB . . 3.650 2.585 2.541 2.640 . 0 0 "[ . 1 . 2]" 1
59 1 63 ILE H 1 63 ILE HG13 . . 3.890 2.943 2.812 3.072 . 0 0 "[ . 1 . 2]" 1
60 1 19 GLN QB 1 20 ALA H . . 4.230 2.908 2.180 3.445 . 0 0 "[ . 1 . 2]" 1
61 1 12 LEU H 1 12 LEU HG . . 4.650 3.317 1.964 4.274 . 0 0 "[ . 1 . 2]" 1
62 1 50 VAL H 1 51 ALA H . . 3.420 2.771 2.696 2.910 . 0 0 "[ . 1 . 2]" 1
63 1 50 VAL MG2 1 51 ALA H . . 3.780 1.876 1.770 1.954 . 0 0 "[ . 1 . 2]" 1
64 1 51 ALA H 1 72 LEU MD1 . . 4.450 4.221 4.076 4.425 . 0 0 "[ . 1 . 2]" 1
65 1 34 LYS H 1 35 ASN H . . 3.730 3.434 3.389 3.475 . 0 0 "[ . 1 . 2]" 1
66 1 33 ASP HA 1 34 LYS H . . 2.910 2.447 2.445 2.449 . 0 0 "[ . 1 . 2]" 1
67 1 34 LYS H 1 34 LYS HA . . 2.850 2.632 2.624 2.644 . 0 0 "[ . 1 . 2]" 1
68 1 33 ASP HB3 1 34 LYS H . . 4.350 3.440 3.244 3.569 . 0 0 "[ . 1 . 2]" 1
69 1 33 ASP HB2 1 34 LYS H . . 3.980 3.782 3.692 3.891 . 0 0 "[ . 1 . 2]" 1
70 1 34 LYS H 1 34 LYS HB3 . . 3.900 3.629 3.624 3.635 . 0 0 "[ . 1 . 2]" 1
71 1 34 LYS H 1 34 LYS HB2 . . 3.790 2.782 2.759 2.801 . 0 0 "[ . 1 . 2]" 1
72 1 34 LYS H 1 34 LYS HG2 . . 3.800 2.464 1.893 3.171 . 0 0 "[ . 1 . 2]" 1
73 1 34 LYS H 1 34 LYS HG3 . . 3.800 2.539 1.900 3.205 . 0 0 "[ . 1 . 2]" 1
74 1 83 GLN H 1 83 GLN QB . . 3.080 2.576 2.525 2.631 . 0 0 "[ . 1 . 2]" 1
75 1 79 ALA MB 1 83 GLN H . . 3.690 3.025 2.906 3.091 . 0 0 "[ . 1 . 2]" 1
76 1 30 GLN H 1 88 GLN H . . 3.610 3.061 2.840 3.171 . 0 0 "[ . 1 . 2]" 1
77 1 30 GLN H 1 40 PHE QD . . 4.310 3.912 3.538 4.115 . 0 0 "[ . 1 . 2]" 1
78 1 29 TRP HE3 1 30 GLN H . . 4.440 4.294 4.187 4.421 . 0 0 "[ . 1 . 2]" 1
79 1 29 TRP HA 1 30 GLN H . . 2.770 2.144 2.141 2.157 . 0 0 "[ . 1 . 2]" 1
80 1 29 TRP HB2 1 30 GLN H . . 4.660 4.388 4.308 4.465 . 0 0 "[ . 1 . 2]" 1
81 1 29 TRP HB3 1 30 GLN H . . 3.720 3.466 3.292 3.641 . 0 0 "[ . 1 . 2]" 1
82 1 30 GLN H 1 30 GLN HG3 . . 3.620 2.850 2.444 3.089 . 0 0 "[ . 1 . 2]" 1
83 1 30 GLN H 1 88 GLN QG . . 4.160 2.862 2.522 3.093 . 0 0 "[ . 1 . 2]" 1
84 1 30 GLN H 1 30 GLN HB2 . . 3.400 2.734 2.670 2.882 . 0 0 "[ . 1 . 2]" 1
85 1 35 ASN QB 1 36 ILE H . . 3.870 3.671 3.643 3.689 . 0 0 "[ . 1 . 2]" 1
86 1 33 ASP HB3 1 36 ILE H . . 4.320 2.464 2.345 2.600 . 0 0 "[ . 1 . 2]" 1
87 1 36 ILE H 1 36 ILE HB . . 3.020 2.835 2.777 2.908 . 0 0 "[ . 1 . 2]" 1
88 1 34 LYS HB2 1 36 ILE H . . 3.940 3.909 3.859 3.954 0.014 18 0 "[ . 1 . 2]" 1
89 1 36 ILE H 1 36 ILE HG12 . . 4.510 4.361 4.268 4.440 . 0 0 "[ . 1 . 2]" 1
90 1 36 ILE H 1 36 ILE HG13 . . 3.610 3.464 3.282 3.604 . 0 0 "[ . 1 . 2]" 1
91 1 36 ILE H 1 36 ILE MD . . 3.380 2.229 2.031 2.468 . 0 0 "[ . 1 . 2]" 1
92 1 32 ILE MG 1 36 ILE H . . 4.170 4.081 3.973 4.144 . 0 0 "[ . 1 . 2]" 1
93 1 40 PHE H 1 40 PHE QD . . 3.450 2.594 2.200 3.068 . 0 0 "[ . 1 . 2]" 1
94 1 39 CYS HA 1 40 PHE H . . 2.880 2.369 2.311 2.445 . 0 0 "[ . 1 . 2]" 1
95 1 39 CYS HB2 1 40 PHE H . . 3.940 2.630 2.347 3.443 . 0 0 "[ . 1 . 2]" 1
96 1 40 PHE H 1 40 PHE HB2 . . 3.100 2.372 2.273 2.445 . 0 0 "[ . 1 . 2]" 1
97 1 30 GLN HA 1 40 PHE H . . 3.500 2.498 2.315 2.671 . 0 0 "[ . 1 . 2]" 1
98 1 39 CYS HB3 1 40 PHE H . . 3.940 3.723 2.521 3.940 . 0 0 "[ . 1 . 2]" 1
99 1 22 TYR H 1 22 TYR HB3 . . 3.290 2.605 2.257 2.940 . 0 0 "[ . 1 . 2]" 1
100 1 22 TYR H 1 22 TYR HB2 . . 3.290 2.501 2.202 2.837 . 0 0 "[ . 1 . 2]" 1
101 1 21 ASP H 1 22 TYR H . . 3.350 2.708 2.531 2.968 . 0 0 "[ . 1 . 2]" 1
102 1 31 TYR HA 1 32 ILE H . . 2.960 2.215 2.193 2.251 . 0 0 "[ . 1 . 2]" 1
103 1 31 TYR QD 1 32 ILE H . . 4.210 3.991 3.867 4.114 . 0 0 "[ . 1 . 2]" 1
104 1 32 ILE H 1 85 PHE HB3 . . 4.240 3.400 3.301 3.478 . 0 0 "[ . 1 . 2]" 1
105 1 31 TYR HB3 1 32 ILE H . . 4.430 4.097 4.017 4.163 . 0 0 "[ . 1 . 2]" 1
106 1 31 TYR HB2 1 32 ILE H . . 3.550 2.973 2.842 3.065 . 0 0 "[ . 1 . 2]" 1
107 1 32 ILE H 1 32 ILE HG12 . . 4.370 4.343 4.301 4.383 0.013 8 0 "[ . 1 . 2]" 1
108 1 32 ILE H 1 32 ILE MD . . 3.770 2.351 2.260 2.407 . 0 0 "[ . 1 . 2]" 1
109 1 77 ALA H 1 85 PHE H . . 3.700 2.797 2.717 2.888 . 0 0 "[ . 1 . 2]" 1
110 1 84 THR HA 1 85 PHE H . . 2.830 2.225 2.199 2.252 . 0 0 "[ . 1 . 2]" 1
111 1 85 PHE H 1 85 PHE HB2 . . 3.690 3.057 3.018 3.077 . 0 0 "[ . 1 . 2]" 1
112 1 76 THR MG 1 85 PHE H . . 3.400 2.963 2.824 3.116 . 0 0 "[ . 1 . 2]" 1
113 1 77 ALA MB 1 85 PHE H . . 3.450 2.643 2.566 2.705 . 0 0 "[ . 1 . 2]" 1
114 1 44 THR H 1 45 ASN H . . 3.440 2.494 2.373 2.626 . 0 0 "[ . 1 . 2]" 1
115 1 45 ASN H 1 46 MET H . . 3.630 2.969 2.896 3.050 . 0 0 "[ . 1 . 2]" 1
116 1 40 PHE HB3 1 45 ASN H . . 3.940 3.245 2.982 3.454 . 0 0 "[ . 1 . 2]" 1
117 1 45 ASN H 1 45 ASN QB . . 2.900 2.236 2.160 2.280 . 0 0 "[ . 1 . 2]" 1
118 1 44 THR MG 1 45 ASN H . . 4.340 3.554 3.436 3.760 . 0 0 "[ . 1 . 2]" 1
119 1 57 LYS H 1 57 LYS QB . . 2.980 2.321 2.223 2.409 . 0 0 "[ . 1 . 2]" 1
120 1 56 LYS QD 1 57 LYS H . . 3.450 3.272 2.847 3.447 . 0 0 "[ . 1 . 2]" 1
121 1 56 LYS HA 1 57 LYS H . . 2.870 2.431 2.348 2.535 . 0 0 "[ . 1 . 2]" 1
122 1 56 LYS HB3 1 57 LYS H . . 3.050 2.369 2.142 2.558 . 0 0 "[ . 1 . 2]" 1
123 1 56 LYS HB2 1 57 LYS H . . 3.990 3.621 3.349 3.776 . 0 0 "[ . 1 . 2]" 1
124 1 49 GLU H 1 52 TRP H . . 5.270 4.789 4.700 4.884 . 0 0 "[ . 1 . 2]" 1
125 1 51 ALA H 1 52 TRP H . . 3.300 2.534 2.401 2.659 . 0 0 "[ . 1 . 2]" 1
126 1 51 ALA HA 1 52 TRP H . . 3.560 3.501 3.484 3.519 . 0 0 "[ . 1 . 2]" 1
127 1 52 TRP H 1 52 TRP HB3 . . 3.080 2.570 2.508 2.631 . 0 0 "[ . 1 . 2]" 1
128 1 52 TRP H 1 52 TRP HB2 . . 3.150 2.530 2.459 2.593 . 0 0 "[ . 1 . 2]" 1
129 1 51 ALA MB 1 52 TRP H . . 3.310 2.761 2.656 2.871 . 0 0 "[ . 1 . 2]" 1
130 1 52 TRP H 1 72 LEU MD1 . . 3.920 3.097 2.845 3.328 . 0 0 "[ . 1 . 2]" 1
131 1 16 LYS QB 1 17 GLU H . . 5.020 3.152 2.755 3.642 . 0 0 "[ . 1 . 2]" 1
132 1 74 THR H 1 75 ASN H . . 2.870 2.050 1.787 2.172 . 0 0 "[ . 1 . 2]" 1
133 1 74 THR HA 1 75 ASN H . . 3.480 3.417 3.368 3.455 . 0 0 "[ . 1 . 2]" 1
134 1 75 ASN H 1 75 ASN HA . . 2.850 2.280 2.276 2.285 . 0 0 "[ . 1 . 2]" 1
135 1 74 THR MG 1 75 ASN H . . 4.290 2.478 2.132 2.635 . 0 0 "[ . 1 . 2]" 1
136 1 75 ASN H 1 87 VAL MG2 . . 4.430 3.878 3.794 3.987 . 0 0 "[ . 1 . 2]" 1
137 1 47 LYS QB 1 48 LEU H . . 3.430 2.952 2.828 3.049 . 0 0 "[ . 1 . 2]" 1
138 1 48 LEU H 1 48 LEU HG . . 3.210 2.609 2.443 2.720 . 0 0 "[ . 1 . 2]" 1
139 1 48 LEU H 1 48 LEU HB2 . . 3.200 2.447 2.397 2.514 . 0 0 "[ . 1 . 2]" 1
140 1 48 LEU H 1 48 LEU MD1 . . 4.190 3.675 3.493 3.789 . 0 0 "[ . 1 . 2]" 1
141 1 40 PHE QD 1 41 ASP H . . 4.130 3.409 3.079 3.620 . 0 0 "[ . 1 . 2]" 1
142 1 40 PHE HA 1 41 ASP H . . 3.050 2.455 2.349 2.580 . 0 0 "[ . 1 . 2]" 1
143 1 41 ASP H 1 44 THR HB . . 3.990 2.472 2.167 2.747 . 0 0 "[ . 1 . 2]" 1
144 1 40 PHE HB3 1 41 ASP H . . 3.340 2.322 2.073 2.582 . 0 0 "[ . 1 . 2]" 1
145 1 41 ASP H 1 41 ASP HB3 . . 3.760 3.300 2.738 3.622 . 0 0 "[ . 1 . 2]" 1
146 1 40 PHE HB2 1 41 ASP H . . 4.170 3.608 3.312 3.890 . 0 0 "[ . 1 . 2]" 1
147 1 46 MET HA 1 49 GLU H . . 4.160 3.183 2.873 3.498 . 0 0 "[ . 1 . 2]" 1
148 1 44 THR HA 1 47 LYS H . . 3.310 2.960 2.818 3.054 . 0 0 "[ . 1 . 2]" 1
149 1 47 LYS H 1 47 LYS QB . . 2.760 2.384 2.284 2.478 . 0 0 "[ . 1 . 2]" 1
150 1 47 LYS H 1 47 LYS HG3 . . 3.760 2.424 2.247 2.594 . 0 0 "[ . 1 . 2]" 1
151 1 47 LYS H 1 47 LYS HG2 . . 4.540 3.353 2.906 3.673 . 0 0 "[ . 1 . 2]" 1
152 1 47 LYS H 1 50 VAL MG2 . . 5.220 3.989 3.759 4.193 . 0 0 "[ . 1 . 2]" 1
153 1 49 GLU H 1 50 VAL MG2 . . 5.500 3.845 3.664 3.930 . 0 0 "[ . 1 . 2]" 1
154 1 47 LYS H 1 48 LEU HG . . 5.500 4.526 4.392 4.647 . 0 0 "[ . 1 . 2]" 1
155 1 48 LEU HG 1 49 GLU H . . 5.500 4.261 4.146 4.360 . 0 0 "[ . 1 . 2]" 1
156 1 61 VAL HA 1 62 GLN H . . 3.000 2.284 2.211 2.326 . 0 0 "[ . 1 . 2]" 1
157 1 62 GLN H 1 62 GLN HG2 . . 4.110 4.045 3.721 4.116 0.006 20 0 "[ . 1 . 2]" 1
158 1 62 GLN H 1 62 GLN HG3 . . 4.110 3.525 3.420 3.927 . 0 0 "[ . 1 . 2]" 1
159 1 62 GLN H 1 62 GLN HB2 . . 2.840 2.353 2.322 2.379 . 0 0 "[ . 1 . 2]" 1
160 1 61 VAL HB 1 62 GLN H . . 2.970 2.696 2.573 2.936 . 0 0 "[ . 1 . 2]" 1
161 1 62 GLN H 1 62 GLN HB3 . . 3.680 3.586 3.569 3.600 . 0 0 "[ . 1 . 2]" 1
162 1 44 THR MG 1 62 GLN H . . 4.300 4.021 3.878 4.162 . 0 0 "[ . 1 . 2]" 1
163 1 61 VAL MG2 1 62 GLN H . . 3.910 3.673 3.570 3.865 . 0 0 "[ . 1 . 2]" 1
164 1 49 GLU H 1 50 VAL H . . 3.690 2.813 2.616 2.926 . 0 0 "[ . 1 . 2]" 1
165 1 49 GLU H 1 49 GLU HB2 . . 3.560 3.516 3.487 3.551 . 0 0 "[ . 1 . 2]" 1
166 1 49 GLU H 1 49 GLU HB3 . . 3.140 2.225 2.178 2.290 . 0 0 "[ . 1 . 2]" 1
167 1 48 LEU HB2 1 49 GLU H . . 3.500 2.296 2.006 2.643 . 0 0 "[ . 1 . 2]" 1
168 1 47 LYS H 1 48 LEU MD1 . . 5.500 5.305 5.082 5.482 . 0 0 "[ . 1 . 2]" 1
169 1 48 LEU MD1 1 49 GLU H . . 5.500 4.167 3.782 4.486 . 0 0 "[ . 1 . 2]" 1
170 1 29 TRP HE1 1 49 GLU H . . 4.160 3.388 3.230 3.596 . 0 0 "[ . 1 . 2]" 1
171 1 38 GLN HA 1 39 CYS H . . 2.760 2.552 2.487 2.595 . 0 0 "[ . 1 . 2]" 1
172 1 39 CYS H 1 39 CYS HB2 . . 3.870 3.695 2.772 3.831 . 0 0 "[ . 1 . 2]" 1
173 1 39 CYS H 1 39 CYS HB3 . . 3.870 3.148 2.981 3.805 . 0 0 "[ . 1 . 2]" 1
174 1 38 GLN QG 1 39 CYS H . . 4.250 3.991 3.825 4.163 . 0 0 "[ . 1 . 2]" 1
175 1 53 LYS H 1 54 ALA H . . 3.370 2.358 2.251 2.540 . 0 0 "[ . 1 . 2]" 1
176 1 51 ALA HA 1 54 ALA H . . 3.870 3.395 3.286 3.609 . 0 0 "[ . 1 . 2]" 1
177 1 53 LYS HB2 1 54 ALA H . . 3.640 2.841 2.672 2.969 . 0 0 "[ . 1 . 2]" 1
178 1 53 LYS HB3 1 54 ALA H . . 4.000 3.793 3.616 3.953 . 0 0 "[ . 1 . 2]" 1
179 1 54 ALA H 1 54 ALA MB . . 2.850 2.260 2.233 2.287 . 0 0 "[ . 1 . 2]" 1
180 1 41 ASP HB2 1 42 LYS H . . 4.320 3.305 2.034 3.820 . 0 0 "[ . 1 . 2]" 1
181 1 60 VAL HA 1 61 VAL H . . 2.800 2.186 2.173 2.207 . 0 0 "[ . 1 . 2]" 1
182 1 61 VAL H 1 68 PHE HB2 . . 4.830 3.815 3.729 3.870 . 0 0 "[ . 1 . 2]" 1
183 1 60 VAL MG1 1 61 VAL H . . 3.240 2.376 2.098 2.494 . 0 0 "[ . 1 . 2]" 1
184 1 61 VAL H 1 61 VAL MG2 . . 3.100 2.187 2.067 2.381 . 0 0 "[ . 1 . 2]" 1
185 1 66 GLN H 1 68 PHE QE . . 4.900 4.814 4.673 4.896 . 0 0 "[ . 1 . 2]" 1
186 1 62 GLN HA 1 66 GLN H . . 4.450 3.881 3.822 3.924 . 0 0 "[ . 1 . 2]" 1
187 1 62 GLN HB3 1 66 GLN H . . 4.450 3.933 3.767 4.066 . 0 0 "[ . 1 . 2]" 1
188 1 65 ASN H 1 66 GLN H . . 3.590 2.564 2.458 2.619 . 0 0 "[ . 1 . 2]" 1
189 1 63 ILE H 1 66 GLN H . . 3.480 3.044 2.882 3.168 . 0 0 "[ . 1 . 2]" 1
190 1 66 GLN H 1 67 ASP H . . 4.520 4.219 4.171 4.260 . 0 0 "[ . 1 . 2]" 1
191 1 66 GLN H 1 66 GLN QG . . 3.340 2.153 2.121 2.205 . 0 0 "[ . 1 . 2]" 1
192 1 66 GLN H 1 66 GLN QB . . 3.460 3.280 3.268 3.286 . 0 0 "[ . 1 . 2]" 1
193 1 68 PHE H 1 69 THR H . . 4.720 4.451 4.441 4.461 . 0 0 "[ . 1 . 2]" 1
194 1 69 THR H 1 70 VAL H . . 4.230 4.230 4.144 4.268 0.038 9 0 "[ . 1 . 2]" 1
195 1 68 PHE QD 1 69 THR H . . 4.440 3.793 3.604 3.890 . 0 0 "[ . 1 . 2]" 1
196 1 69 THR H 1 77 ALA HA . . 4.690 4.522 4.288 4.649 . 0 0 "[ . 1 . 2]" 1
197 1 68 PHE HA 1 69 THR H . . 2.680 2.321 2.276 2.421 . 0 0 "[ . 1 . 2]" 1
198 1 69 THR H 1 69 THR HB . . 3.060 2.612 2.565 2.714 . 0 0 "[ . 1 . 2]" 1
199 1 68 PHE HB3 1 69 THR H . . 3.520 2.742 2.478 2.862 . 0 0 "[ . 1 . 2]" 1
200 1 69 THR H 1 69 THR MG . . 3.890 3.840 3.818 3.883 . 0 0 "[ . 1 . 2]" 1
201 1 69 THR H 1 70 VAL MG2 . . 4.440 4.366 4.231 4.446 0.006 19 0 "[ . 1 . 2]" 1
202 1 87 VAL HA 1 88 GLN H . . 2.850 2.194 2.171 2.243 . 0 0 "[ . 1 . 2]" 1
203 1 87 VAL HB 1 88 GLN H . . 3.350 3.042 2.848 3.145 . 0 0 "[ . 1 . 2]" 1
204 1 88 GLN H 1 88 GLN QG . . 3.550 2.035 1.912 2.494 . 0 0 "[ . 1 . 2]" 1
205 1 88 GLN H 1 88 GLN HB2 . . 3.940 3.789 3.741 3.836 . 0 0 "[ . 1 . 2]" 1
206 1 87 VAL MG2 1 88 GLN H . . 4.190 4.053 3.972 4.099 . 0 0 "[ . 1 . 2]" 1
207 1 86 THR HA 1 87 VAL H . . 2.770 2.146 2.144 2.148 . 0 0 "[ . 1 . 2]" 1
208 1 86 THR HB 1 87 VAL H . . 4.340 4.214 4.163 4.346 0.006 13 0 "[ . 1 . 2]" 1
209 1 87 VAL H 1 87 VAL HB . . 3.820 3.617 3.584 3.631 . 0 0 "[ . 1 . 2]" 1
210 1 87 VAL H 1 87 VAL MG1 . . 3.600 2.908 2.840 3.014 . 0 0 "[ . 1 . 2]" 1
211 1 87 VAL H 1 87 VAL MG2 . . 3.280 1.942 1.842 1.993 . 0 0 "[ . 1 . 2]" 1
212 1 88 GLN H 1 88 GLN HB3 . . 3.550 3.226 3.156 3.342 . 0 0 "[ . 1 . 2]" 1
213 1 85 PHE HB2 1 86 THR H . . 3.660 2.919 2.888 2.945 . 0 0 "[ . 1 . 2]" 1
214 1 32 ILE HB 1 86 THR H . . 3.780 2.634 2.521 2.724 . 0 0 "[ . 1 . 2]" 1
215 1 86 THR H 1 87 VAL H . . 4.660 4.327 4.308 4.345 . 0 0 "[ . 1 . 2]" 1
216 1 85 PHE HA 1 86 THR H . . 2.900 2.530 2.518 2.537 . 0 0 "[ . 1 . 2]" 1
217 1 51 ALA HA 1 56 LYS H . . 3.840 3.751 3.623 3.848 0.008 20 0 "[ . 1 . 2]" 1
218 1 55 LYS HA 1 56 LYS H . . 3.280 2.820 2.785 2.863 . 0 0 "[ . 1 . 2]" 1
219 1 56 LYS H 1 56 LYS HB3 . . 3.610 3.596 3.558 3.619 0.009 9 0 "[ . 1 . 2]" 1
220 1 56 LYS H 1 56 LYS HB2 . . 2.890 2.397 2.291 2.502 . 0 0 "[ . 1 . 2]" 1
221 1 56 LYS H 1 56 LYS HG2 . . 3.190 2.571 2.284 2.824 . 0 0 "[ . 1 . 2]" 1
222 1 51 ALA MB 1 56 LYS H . . 4.070 3.997 3.846 4.082 0.012 20 0 "[ . 1 . 2]" 1
223 1 85 PHE H 1 86 THR H . . 4.630 4.422 4.414 4.436 . 0 0 "[ . 1 . 2]" 1
224 1 85 PHE HB3 1 86 THR H . . 3.500 2.456 2.428 2.474 . 0 0 "[ . 1 . 2]" 1
225 1 68 PHE QD 1 78 THR H . . 4.030 3.399 3.340 3.468 . 0 0 "[ . 1 . 2]" 1
226 1 77 ALA HA 1 78 THR H . . 2.720 2.254 2.230 2.276 . 0 0 "[ . 1 . 2]" 1
227 1 68 PHE HA 1 78 THR H . . 5.120 4.630 4.494 4.777 . 0 0 "[ . 1 . 2]" 1
228 1 78 THR H 1 79 ALA HA . . 5.500 4.781 4.746 4.835 . 0 0 "[ . 1 . 2]" 1
229 1 77 ALA MB 1 78 THR H . . 3.290 2.741 2.662 2.828 . 0 0 "[ . 1 . 2]" 1
230 1 70 VAL MG2 1 78 THR H . . 4.440 4.059 3.812 4.283 . 0 0 "[ . 1 . 2]" 1
231 1 69 THR HB 1 78 THR H . . 3.410 3.392 3.270 3.428 0.018 8 0 "[ . 1 . 2]" 1
232 1 78 THR H 1 78 THR HB . . 3.260 2.984 2.868 3.041 . 0 0 "[ . 1 . 2]" 1
233 1 68 PHE HB3 1 78 THR H . . 4.240 3.491 3.378 3.674 . 0 0 "[ . 1 . 2]" 1
234 1 72 LEU H 1 73 SER H . . 3.470 2.519 2.384 2.577 . 0 0 "[ . 1 . 2]" 1
235 1 73 SER H 1 74 THR H . . 3.100 2.993 2.861 3.045 . 0 0 "[ . 1 . 2]" 1
236 1 71 ASP HA 1 73 SER H . . 4.040 3.884 3.741 3.977 . 0 0 "[ . 1 . 2]" 1
237 1 57 LYS HA 1 73 SER H . . 4.250 3.914 3.244 4.158 . 0 0 "[ . 1 . 2]" 1
238 1 73 SER H 1 73 SER HB3 . . 3.690 3.138 2.906 3.556 . 0 0 "[ . 1 . 2]" 1
239 1 31 TYR H 1 31 TYR QD . . 3.420 2.090 1.980 2.287 . 0 0 "[ . 1 . 2]" 1
240 1 30 GLN HA 1 31 TYR H . . 2.940 2.291 2.260 2.328 . 0 0 "[ . 1 . 2]" 1
241 1 31 TYR H 1 39 CYS HA . . 4.070 2.472 2.319 2.645 . 0 0 "[ . 1 . 2]" 1
242 1 31 TYR H 1 31 TYR HB3 . . 4.080 3.007 2.945 3.064 . 0 0 "[ . 1 . 2]" 1
243 1 31 TYR H 1 31 TYR HB2 . . 4.180 3.779 3.757 3.805 . 0 0 "[ . 1 . 2]" 1
244 1 30 GLN HG2 1 31 TYR H . . 4.590 4.341 4.197 4.604 0.014 18 0 "[ . 1 . 2]" 1
245 1 30 GLN HB3 1 31 TYR H . . 3.130 2.737 2.643 2.808 . 0 0 "[ . 1 . 2]" 1
246 1 31 TYR H 1 37 THR MG . . 4.550 4.471 4.389 4.535 . 0 0 "[ . 1 . 2]" 1
247 1 84 THR H 1 85 PHE H . . 4.630 4.372 4.340 4.409 . 0 0 "[ . 1 . 2]" 1
248 1 83 GLN HA 1 84 THR H . . 2.600 2.191 2.165 2.215 . 0 0 "[ . 1 . 2]" 1
249 1 84 THR H 1 84 THR HB . . 3.910 3.901 3.865 3.928 0.018 17 0 "[ . 1 . 2]" 1
250 1 83 GLN HG3 1 84 THR H . . 4.280 4.051 3.942 4.280 0.000 12 0 "[ . 1 . 2]" 1
251 1 84 THR H 1 84 THR MG . . 3.570 2.806 2.739 2.852 . 0 0 "[ . 1 . 2]" 1
252 1 45 ASN QB 1 46 MET H . . 3.390 2.800 2.492 3.398 0.008 13 0 "[ . 1 . 2]" 1
253 1 46 MET H 1 46 MET HG3 . . 4.260 3.837 3.762 3.907 . 0 0 "[ . 1 . 2]" 1
254 1 46 MET H 1 46 MET HB2 . . 3.580 3.571 3.550 3.605 0.025 18 0 "[ . 1 . 2]" 1
255 1 46 MET H 1 46 MET HB3 . . 3.410 2.326 2.283 2.387 . 0 0 "[ . 1 . 2]" 1
256 1 55 LYS H 1 55 LYS HB3 . . 4.100 4.052 4.018 4.094 . 0 0 "[ . 1 . 2]" 1
257 1 54 ALA MB 1 55 LYS H . . 3.530 3.451 3.356 3.514 . 0 0 "[ . 1 . 2]" 1
258 1 55 LYS H 1 55 LYS HG3 . . 3.640 3.149 2.854 3.405 . 0 0 "[ . 1 . 2]" 1
259 1 34 LYS HB2 1 35 ASN H . . 3.510 1.944 1.902 1.986 . 0 0 "[ . 1 . 2]" 1
260 1 24 SER H 1 24 SER QB . . 3.790 2.444 2.215 2.703 . 0 0 "[ . 1 . 2]" 1
261 1 81 GLN H 1 81 GLN HB3 . . 3.760 3.643 3.636 3.652 . 0 0 "[ . 1 . 2]" 1
262 1 57 LYS H 1 58 ASP H . . 3.300 2.238 2.047 2.377 . 0 0 "[ . 1 . 2]" 1
263 1 58 ASP H 1 59 THR H . . 4.530 4.266 4.144 4.314 . 0 0 "[ . 1 . 2]" 1
264 1 58 ASP H 1 58 ASP HB3 . . 4.190 3.618 3.519 3.716 . 0 0 "[ . 1 . 2]" 1
265 1 56 LYS HB3 1 58 ASP H . . 3.060 2.755 2.628 2.833 . 0 0 "[ . 1 . 2]" 1
266 1 57 LYS QB 1 58 ASP H . . 3.090 2.700 2.618 2.848 . 0 0 "[ . 1 . 2]" 1
267 1 56 LYS QD 1 58 ASP H . . 4.360 4.095 3.949 4.394 0.034 12 0 "[ . 1 . 2]" 1
268 1 57 LYS QD 1 58 ASP H . . 4.940 4.488 3.669 4.981 0.041 12 0 "[ . 1 . 2]" 1
269 1 58 ASP H 1 72 LEU MD1 . . 4.560 3.487 3.285 3.648 . 0 0 "[ . 1 . 2]" 1
270 1 22 TYR HA 1 25 THR H . . 5.290 4.186 3.621 4.511 . 0 0 "[ . 1 . 2]" 1
271 1 59 THR H 1 70 VAL H . . 3.640 3.384 3.278 3.468 . 0 0 "[ . 1 . 2]" 1
272 1 58 ASP HA 1 59 THR H . . 3.070 2.273 2.194 2.328 . 0 0 "[ . 1 . 2]" 1
273 1 58 ASP HB3 1 59 THR H . . 3.900 3.832 3.737 3.898 . 0 0 "[ . 1 . 2]" 1
274 1 58 ASP HB2 1 59 THR H . . 3.190 2.788 2.614 3.086 . 0 0 "[ . 1 . 2]" 1
275 1 59 THR H 1 72 LEU HG . . 4.570 3.586 3.317 3.846 . 0 0 "[ . 1 . 2]" 1
276 1 59 THR H 1 69 THR MG . . 3.970 3.953 3.736 4.007 0.037 9 0 "[ . 1 . 2]" 1
277 1 59 THR H 1 59 THR MG . . 3.310 2.120 1.943 2.274 . 0 0 "[ . 1 . 2]" 1
278 1 30 GLN HB2 1 30 GLN HE21 . . 4.320 3.419 2.963 4.200 . 0 0 "[ . 1 . 2]" 1
279 1 30 GLN HB2 1 88 GLN HE22 . . 4.880 3.557 2.853 3.859 . 0 0 "[ . 1 . 2]" 1
280 1 32 ILE MD 1 88 GLN HE22 . . 4.240 2.177 1.904 2.266 . 0 0 "[ . 1 . 2]" 1
281 1 30 GLN HE21 1 30 GLN HG2 . . 3.540 3.202 2.119 3.447 . 0 0 "[ . 1 . 2]" 1
282 1 75 ASN HA 1 76 THR H . . 2.970 2.642 2.615 2.717 . 0 0 "[ . 1 . 2]" 1
283 1 76 THR H 1 76 THR HB . . 3.260 2.823 2.781 2.860 . 0 0 "[ . 1 . 2]" 1
284 1 71 ASP HB3 1 76 THR H . . 3.620 2.790 2.599 3.008 . 0 0 "[ . 1 . 2]" 1
285 1 76 THR H 1 87 VAL MG2 . . 4.260 2.989 2.881 3.096 . 0 0 "[ . 1 . 2]" 1
286 1 71 ASP HA 1 76 THR H . . 4.830 4.662 4.479 4.727 . 0 0 "[ . 1 . 2]" 1
287 1 71 ASP HB2 1 76 THR H . . 4.150 3.977 3.823 4.129 . 0 0 "[ . 1 . 2]" 1
288 1 70 VAL MG1 1 76 THR H . . 4.330 3.743 3.559 4.003 . 0 0 "[ . 1 . 2]" 1
289 1 74 THR H 1 74 THR HB . . 3.650 2.935 2.833 3.160 . 0 0 "[ . 1 . 2]" 1
290 1 73 SER HB2 1 74 THR H . . 3.630 3.286 2.610 3.662 0.032 20 0 "[ . 1 . 2]" 1
291 1 71 ASP HB3 1 74 THR H . . 4.000 3.058 2.977 3.219 . 0 0 "[ . 1 . 2]" 1
292 1 74 THR H 1 74 THR MG . . 3.270 1.956 1.877 2.192 . 0 0 "[ . 1 . 2]" 1
293 1 65 ASN H 1 65 ASN HA . . 2.920 2.277 2.274 2.285 . 0 0 "[ . 1 . 2]" 1
294 1 64 HIS HB2 1 65 ASN H . . 4.720 4.187 4.054 4.265 . 0 0 "[ . 1 . 2]" 1
295 1 65 ASN H 1 65 ASN HB2 . . 4.200 3.495 3.118 3.776 . 0 0 "[ . 1 . 2]" 1
296 1 65 ASN H 1 65 ASN HB3 . . 4.200 4.010 3.677 4.109 . 0 0 "[ . 1 . 2]" 1
297 1 79 ALA H 1 82 GLY H . . 4.570 3.940 3.888 3.970 . 0 0 "[ . 1 . 2]" 1
298 1 79 ALA MB 1 82 GLY H . . 4.400 3.028 2.973 3.056 . 0 0 "[ . 1 . 2]" 1
299 1 34 LYS H 1 36 ILE H . . 4.510 3.890 3.854 3.913 . 0 0 "[ . 1 . 2]" 1
300 1 34 LYS HG2 1 35 ASN H . . 4.870 4.446 4.199 4.673 . 0 0 "[ . 1 . 2]" 1
301 1 31 TYR H 1 38 GLN HB2 . . 4.830 4.682 4.536 4.789 . 0 0 "[ . 1 . 2]" 1
302 1 31 TYR H 1 87 VAL MG1 . . 4.740 4.495 4.295 4.643 . 0 0 "[ . 1 . 2]" 1
303 1 31 TYR H 1 37 THR HA . . 5.500 5.497 5.434 5.525 0.025 9 0 "[ . 1 . 2]" 1
304 1 31 TYR H 1 38 GLN HA . . 5.500 5.233 5.174 5.281 . 0 0 "[ . 1 . 2]" 1
305 1 31 TYR H 1 40 PHE QE . . 5.200 3.765 3.510 4.296 . 0 0 "[ . 1 . 2]" 1
306 1 31 TYR H 1 40 PHE QD . . 5.130 3.908 3.583 4.306 . 0 0 "[ . 1 . 2]" 1
307 1 31 TYR H 1 40 PHE H . . 5.130 3.883 3.702 4.106 . 0 0 "[ . 1 . 2]" 1
308 1 30 GLN H 1 31 TYR H . . 5.130 4.463 4.443 4.481 . 0 0 "[ . 1 . 2]" 1
309 1 30 GLN H 1 87 VAL MG1 . . 5.260 4.766 4.499 4.925 . 0 0 "[ . 1 . 2]" 1
310 1 30 GLN H 1 87 VAL HA . . 4.670 4.570 4.375 4.671 0.001 8 0 "[ . 1 . 2]" 1
311 1 30 GLN H 1 40 PHE QE . . 4.740 4.376 4.096 4.722 . 0 0 "[ . 1 . 2]" 1
312 1 30 GLN H 1 90 LEU H . . 5.010 4.932 4.648 5.024 0.014 2 0 "[ . 1 . 2]" 1
313 1 15 GLU QB 1 16 LYS H . . 4.650 2.921 2.331 3.557 . 0 0 "[ . 1 . 2]" 1
314 1 50 VAL HB 1 52 TRP H . . 5.500 5.464 5.342 5.534 0.034 11 0 "[ . 1 . 2]" 1
315 1 52 TRP H 1 53 LYS HG3 . . 5.500 5.513 5.473 5.555 0.055 15 0 "[ . 1 . 2]" 1
316 1 52 TRP H 1 53 LYS H . . 3.290 2.500 2.445 2.576 . 0 0 "[ . 1 . 2]" 1
317 1 52 TRP H 1 54 ALA H . . 4.840 3.891 3.768 3.986 . 0 0 "[ . 1 . 2]" 1
318 1 54 ALA H 1 55 LYS H . . 2.980 2.716 2.659 2.775 . 0 0 "[ . 1 . 2]" 1
319 1 54 ALA H 1 56 LYS H . . 3.940 3.737 3.653 3.876 . 0 0 "[ . 1 . 2]" 1
320 1 59 THR H 1 71 ASP HA . . 4.580 3.709 3.614 3.804 . 0 0 "[ . 1 . 2]" 1
321 1 59 THR H 1 72 LEU H . . 4.560 4.147 3.994 4.342 . 0 0 "[ . 1 . 2]" 1
322 1 60 VAL H 1 61 VAL H . . 4.970 4.553 4.519 4.576 . 0 0 "[ . 1 . 2]" 1
323 1 60 VAL H 1 61 VAL MG1 . . 5.000 4.102 4.007 4.214 . 0 0 "[ . 1 . 2]" 1
324 1 62 GLN H 1 63 ILE H . . 4.750 4.314 4.274 4.361 . 0 0 "[ . 1 . 2]" 1
325 1 61 VAL H 1 62 GLN H . . 4.670 4.387 4.326 4.424 . 0 0 "[ . 1 . 2]" 1
326 1 61 VAL MG2 1 63 ILE H . . 4.940 4.030 3.855 4.154 . 0 0 "[ . 1 . 2]" 1
327 1 62 GLN HB3 1 65 ASN H . . 4.730 4.016 3.907 4.083 . 0 0 "[ . 1 . 2]" 1
328 1 63 ILE HA 1 65 ASN H . . 5.270 3.756 3.539 3.958 . 0 0 "[ . 1 . 2]" 1
329 1 64 HIS H 1 65 ASN H . . 4.160 2.628 2.547 2.708 . 0 0 "[ . 1 . 2]" 1
330 1 63 ILE HA 1 66 GLN H . . 5.360 4.238 4.143 4.351 . 0 0 "[ . 1 . 2]" 1
331 1 58 ASP HB2 1 70 VAL H . . 4.720 3.943 3.800 4.077 . 0 0 "[ . 1 . 2]" 1
332 1 61 VAL H 1 70 VAL H . . 4.570 3.950 3.866 3.996 . 0 0 "[ . 1 . 2]" 1
333 1 71 ASP H 1 76 THR HB . . 4.840 4.496 4.360 4.661 . 0 0 "[ . 1 . 2]" 1
334 1 71 ASP H 1 77 ALA H . . 5.500 4.696 4.534 4.758 . 0 0 "[ . 1 . 2]" 1
335 1 70 VAL MG1 1 72 LEU H . . 4.630 4.065 3.855 4.272 . 0 0 "[ . 1 . 2]" 1
336 1 57 LYS HA 1 72 LEU H . . 4.650 4.412 4.041 4.504 . 0 0 "[ . 1 . 2]" 1
337 1 72 LEU H 1 74 THR H . . 4.980 4.408 4.100 4.527 . 0 0 "[ . 1 . 2]" 1
338 1 71 ASP H 1 72 LEU H . . 4.450 4.426 4.389 4.463 0.013 13 0 "[ . 1 . 2]" 1
339 1 71 ASP HB2 1 73 SER H . . 5.500 5.281 5.014 5.374 . 0 0 "[ . 1 . 2]" 1
340 1 71 ASP HB3 1 73 SER H . . 4.990 4.308 4.101 4.441 . 0 0 "[ . 1 . 2]" 1
341 1 72 LEU HG 1 73 SER H . . 4.570 4.237 4.136 4.312 . 0 0 "[ . 1 . 2]" 1
342 1 75 ASN HB2 1 76 THR H . . 4.780 4.310 4.265 4.326 . 0 0 "[ . 1 . 2]" 1
343 1 76 THR H 1 77 ALA H . . 4.600 4.298 4.269 4.337 . 0 0 "[ . 1 . 2]" 1
344 1 77 ALA H 1 78 THR H . . 5.370 4.568 4.546 4.577 . 0 0 "[ . 1 . 2]" 1
345 1 77 ALA H 1 86 THR H . . 5.500 4.379 4.332 4.448 . 0 0 "[ . 1 . 2]" 1
346 1 68 PHE HB2 1 78 THR H . . 5.500 5.249 5.139 5.425 . 0 0 "[ . 1 . 2]" 1
347 1 70 VAL H 1 78 THR H . . 5.090 4.758 4.670 4.858 . 0 0 "[ . 1 . 2]" 1
348 1 79 ALA H 1 80 PRO HD3 . . 5.130 4.907 4.851 4.937 . 0 0 "[ . 1 . 2]" 1
349 1 79 ALA H 1 81 GLN H . . 5.500 4.282 4.259 4.314 . 0 0 "[ . 1 . 2]" 1
350 1 78 THR H 1 79 ALA H . . 4.450 4.348 4.313 4.403 . 0 0 "[ . 1 . 2]" 1
351 1 78 THR MG 1 82 GLY H . . 4.630 4.645 4.614 4.663 0.033 12 0 "[ . 1 . 2]" 1
352 1 82 GLY H 1 83 GLN QB . . 4.920 3.825 3.732 3.884 . 0 0 "[ . 1 . 2]" 1
353 1 81 GLN HB3 1 82 GLY H . . 4.330 3.839 3.800 3.915 . 0 0 "[ . 1 . 2]" 1
354 1 82 GLY H 1 83 GLN H . . 3.360 1.923 1.885 1.957 . 0 0 "[ . 1 . 2]" 1
355 1 79 ALA H 1 83 GLN H . . 3.910 3.256 3.193 3.349 . 0 0 "[ . 1 . 2]" 1
356 1 68 PHE QE 1 84 THR H . . 4.670 4.340 4.228 4.428 . 0 0 "[ . 1 . 2]" 1
357 1 78 THR HA 1 84 THR H . . 5.130 4.901 4.871 4.957 . 0 0 "[ . 1 . 2]" 1
358 1 85 PHE H 1 85 PHE QE . . 4.640 4.541 4.458 4.648 0.008 1 0 "[ . 1 . 2]" 1
359 1 78 THR H 1 85 PHE H . . 5.090 4.718 4.683 4.772 . 0 0 "[ . 1 . 2]" 1
360 1 77 ALA H 1 87 VAL H . . 4.720 3.817 3.763 3.890 . 0 0 "[ . 1 . 2]" 1
361 1 89 ARG H 1 89 ARG HG3 . . 4.760 4.498 4.407 4.588 . 0 0 "[ . 1 . 2]" 1
362 1 89 ARG H 1 89 ARG HG2 . . 4.760 4.589 4.528 4.625 . 0 0 "[ . 1 . 2]" 1
363 1 88 GLN H 1 89 ARG H . . 4.910 4.396 4.342 4.444 . 0 0 "[ . 1 . 2]" 1
364 1 91 VAL HB 1 92 LYS H . . 5.230 4.181 3.799 4.415 . 0 0 "[ . 1 . 2]" 1
365 1 93 ALA MB 1 94 SER H . . 4.930 3.042 2.316 3.683 . 0 0 "[ . 1 . 2]" 1
366 1 51 ALA H 1 51 ALA MB . . 2.800 2.164 2.049 2.237 . 0 0 "[ . 1 . 2]" 1
367 1 71 ASP H 1 76 THR H . . 3.830 3.042 2.929 3.187 . 0 0 "[ . 1 . 2]" 1
368 1 46 MET H 1 47 LYS H . . 3.290 2.471 2.356 2.540 . 0 0 "[ . 1 . 2]" 1
369 1 47 LYS H 1 48 LEU H . . 3.450 2.778 2.707 2.842 . 0 0 "[ . 1 . 2]" 1
370 1 48 LEU H 1 49 GLU H . . 3.600 2.452 2.222 2.659 . 0 0 "[ . 1 . 2]" 1
371 1 45 ASN QB 1 47 LYS H . . 5.500 4.826 4.604 5.287 . 0 0 "[ . 1 . 2]" 1
372 1 46 MET H 1 47 LYS QB . . 4.610 4.368 4.203 4.492 . 0 0 "[ . 1 . 2]" 1
373 1 40 PHE HB2 1 45 ASN H . . 4.120 3.749 3.392 4.058 . 0 0 "[ . 1 . 2]" 1
374 1 43 MET H 1 43 MET HG2 . . 4.090 2.892 1.936 4.061 . 0 0 "[ . 1 . 2]" 1
375 1 43 MET H 1 43 MET HB2 . . 3.930 2.722 2.301 3.615 . 0 0 "[ . 1 . 2]" 1
376 1 43 MET H 1 43 MET ME . . 4.640 3.967 2.397 4.664 0.024 17 0 "[ . 1 . 2]" 1
377 1 30 GLN HG2 1 40 PHE H . . 4.220 3.556 3.164 3.812 . 0 0 "[ . 1 . 2]" 1
378 1 31 TYR QE 1 40 PHE H . . 5.500 4.002 3.692 4.546 . 0 0 "[ . 1 . 2]" 1
379 1 40 PHE H 1 40 PHE QE . . 4.870 4.533 4.243 4.890 0.020 18 0 "[ . 1 . 2]" 1
380 1 40 PHE H 1 41 ASP H . . 4.720 4.583 4.542 4.609 . 0 0 "[ . 1 . 2]" 1
381 1 30 GLN H 1 40 PHE H . . 5.110 4.888 4.644 5.053 . 0 0 "[ . 1 . 2]" 1
382 1 33 ASP H 1 36 ILE HB . . 4.350 3.996 3.928 4.067 . 0 0 "[ . 1 . 2]" 1
383 1 33 ASP H 1 36 ILE H . . 4.010 3.789 3.745 3.836 . 0 0 "[ . 1 . 2]" 1
384 1 33 ASP H 1 34 LYS H . . 4.850 4.601 4.596 4.602 . 0 0 "[ . 1 . 2]" 1
385 1 32 ILE H 1 33 ASP H . . 4.500 4.272 4.226 4.301 . 0 0 "[ . 1 . 2]" 1
386 1 28 GLU HB2 1 29 TRP H . . 5.050 4.347 4.049 4.531 . 0 0 "[ . 1 . 2]" 1
387 1 28 GLU HB3 1 29 TRP H . . 4.800 4.073 3.805 4.280 . 0 0 "[ . 1 . 2]" 1
388 1 28 GLU H 1 90 LEU HB2 . . 4.300 3.792 3.440 4.055 . 0 0 "[ . 1 . 2]" 1
389 1 28 GLU H 1 29 TRP H . . 5.050 4.240 3.984 4.413 . 0 0 "[ . 1 . 2]" 1
390 1 59 THR H 1 72 LEU MD2 . . 4.760 4.336 4.017 4.628 . 0 0 "[ . 1 . 2]" 1
391 1 25 THR H 1 25 THR HB . . 3.900 3.139 2.387 3.653 . 0 0 "[ . 1 . 2]" 1
392 1 56 LYS H 1 57 LYS H . . 4.630 4.591 4.562 4.609 . 0 0 "[ . 1 . 2]" 1
393 1 70 VAL MG1 1 87 VAL H . . 4.920 4.304 4.198 4.463 . 0 0 "[ . 1 . 2]" 1
394 1 75 ASN HA 1 87 VAL H . . 4.460 4.006 3.946 4.042 . 0 0 "[ . 1 . 2]" 1
395 1 89 ARG HB2 1 90 LEU H . . 4.870 4.343 4.303 4.404 . 0 0 "[ . 1 . 2]" 1
396 1 89 ARG HG2 1 90 LEU H . . 5.130 3.145 2.879 3.377 . 0 0 "[ . 1 . 2]" 1
397 1 70 VAL H 1 77 ALA HA . . 5.080 4.403 4.345 4.512 . 0 0 "[ . 1 . 2]" 1
398 1 91 VAL H 1 91 VAL MG1 . . 4.020 2.815 1.884 3.822 . 0 0 "[ . 1 . 2]" 1
399 1 44 THR H 1 46 MET H . . 4.900 4.328 4.009 4.501 . 0 0 "[ . 1 . 2]" 1
400 1 23 ILE MG 1 24 SER H . . 5.150 3.176 2.952 3.538 . 0 0 "[ . 1 . 2]" 1
401 1 37 THR MG 1 88 GLN HE21 . . 4.480 3.310 3.135 3.381 . 0 0 "[ . 1 . 2]" 1
402 1 30 GLN HE22 1 88 GLN QG . . 5.500 5.192 4.823 5.466 . 0 0 "[ . 1 . 2]" 1
403 1 45 ASN H 1 46 MET HB3 . . 5.230 5.141 5.045 5.239 0.009 3 0 "[ . 1 . 2]" 1
404 1 44 THR H 1 44 THR MG . . 4.680 3.773 3.762 3.809 . 0 0 "[ . 1 . 2]" 1
405 1 44 THR H 1 44 THR HB . . 3.420 2.512 2.456 2.626 . 0 0 "[ . 1 . 2]" 1
406 1 43 MET H 1 44 THR H . . 2.580 2.453 2.203 2.585 0.005 18 0 "[ . 1 . 2]" 1
407 1 39 CYS H 1 40 PHE H . . 5.090 4.479 4.453 4.515 . 0 0 "[ . 1 . 2]" 1
408 1 32 ILE HG13 1 38 GLN H . . 4.830 4.746 4.618 4.797 . 0 0 "[ . 1 . 2]" 1
409 1 36 ILE H 1 37 THR H . . 4.710 4.432 4.414 4.444 . 0 0 "[ . 1 . 2]" 1
410 1 35 ASN H 1 36 ILE H . . 2.870 2.263 2.236 2.285 . 0 0 "[ . 1 . 2]" 1
411 1 33 ASP HA 1 35 ASN H . . 5.260 5.118 5.060 5.173 . 0 0 "[ . 1 . 2]" 1
412 1 32 ILE H 1 86 THR MG . . 5.320 4.176 3.734 4.278 . 0 0 "[ . 1 . 2]" 1
413 1 31 TYR H 1 31 TYR QE . . 4.520 3.889 3.816 4.024 . 0 0 "[ . 1 . 2]" 1
414 1 29 TRP HE1 1 89 ARG HE . . 4.440 2.683 2.019 3.098 . 0 0 "[ . 1 . 2]" 1
415 1 22 TYR H 1 23 ILE H . . 4.810 2.870 2.637 3.025 . 0 0 "[ . 1 . 2]" 1
416 1 23 ILE H 1 24 SER H . . 4.810 2.569 2.347 3.027 . 0 0 "[ . 1 . 2]" 1
417 1 51 ALA H 1 53 LYS H . . 4.620 4.052 3.904 4.206 . 0 0 "[ . 1 . 2]" 1
418 1 52 TRP H 1 72 LEU MD2 . . 4.250 2.857 2.709 3.201 . 0 0 "[ . 1 . 2]" 1
419 1 52 TRP HE1 1 72 LEU MD2 . . 5.460 4.574 4.328 4.959 . 0 0 "[ . 1 . 2]" 1
420 1 52 TRP HE1 1 89 ARG HD2 . . 4.700 4.009 3.635 4.490 . 0 0 "[ . 1 . 2]" 1
421 1 52 TRP HE1 1 89 ARG HD3 . . 4.700 3.889 3.271 4.705 0.005 12 0 "[ . 1 . 2]" 1
422 1 52 TRP HE1 1 72 LEU QB . . 5.050 4.435 4.133 4.744 . 0 0 "[ . 1 . 2]" 1
423 1 53 LYS HG2 1 54 ALA H . . 4.670 4.431 4.272 4.583 . 0 0 "[ . 1 . 2]" 1
424 1 53 LYS H 1 55 LYS H . . 5.010 3.966 3.837 4.111 . 0 0 "[ . 1 . 2]" 1
425 1 51 ALA HA 1 55 LYS H . . 5.210 5.040 4.881 5.181 . 0 0 "[ . 1 . 2]" 1
426 1 55 LYS H 1 55 LYS HG2 . . 3.640 3.277 2.988 3.641 0.001 5 0 "[ . 1 . 2]" 1
427 1 53 LYS HB2 1 55 LYS H . . 4.980 4.777 4.695 4.852 . 0 0 "[ . 1 . 2]" 1
428 1 51 ALA MB 1 58 ASP H . . 5.070 4.270 4.031 4.504 . 0 0 "[ . 1 . 2]" 1
429 1 59 THR H 1 60 VAL HA . . 5.080 4.828 4.758 4.950 . 0 0 "[ . 1 . 2]" 1
430 1 61 VAL H 1 68 PHE HB3 . . 4.540 4.319 4.224 4.433 . 0 0 "[ . 1 . 2]" 1
431 1 60 VAL HB 1 61 VAL H . . 4.460 4.202 4.119 4.251 . 0 0 "[ . 1 . 2]" 1
432 1 62 GLN H 1 67 ASP HA . . 5.500 4.530 4.177 4.707 . 0 0 "[ . 1 . 2]" 1
433 1 63 ILE H 1 68 PHE HB2 . . 5.500 3.369 3.204 3.554 . 0 0 "[ . 1 . 2]" 1
434 1 63 ILE H 1 64 HIS H . . 5.020 4.301 4.159 4.390 . 0 0 "[ . 1 . 2]" 1
435 1 65 ASN H 1 66 GLN QG . . 5.070 3.644 3.550 3.757 . 0 0 "[ . 1 . 2]" 1
436 1 62 GLN HB2 1 65 ASN H . . 5.430 5.403 5.293 5.453 0.023 15 0 "[ . 1 . 2]" 1
437 1 63 ILE HB 1 66 GLN H . . 5.500 4.596 4.428 4.712 . 0 0 "[ . 1 . 2]" 1
438 1 64 HIS HB2 1 66 GLN HE22 . . 5.370 3.764 3.083 4.671 . 0 0 "[ . 1 . 2]" 1
439 1 67 ASP H 1 81 GLN HE21 . . 5.180 4.963 4.449 5.201 0.021 6 0 "[ . 1 . 2]" 1
440 1 67 ASP H 1 68 PHE H . . 4.950 4.571 4.555 4.587 . 0 0 "[ . 1 . 2]" 1
441 1 63 ILE H 1 67 ASP H . . 5.020 4.709 4.582 4.826 . 0 0 "[ . 1 . 2]" 1
442 1 67 ASP H 1 68 PHE QD . . 5.500 4.091 4.049 4.144 . 0 0 "[ . 1 . 2]" 1
443 1 63 ILE H 1 68 PHE H . . 4.680 3.557 3.472 3.658 . 0 0 "[ . 1 . 2]" 1
444 1 63 ILE HB 1 68 PHE H . . 5.280 4.561 4.427 4.672 . 0 0 "[ . 1 . 2]" 1
445 1 70 VAL H 1 71 ASP H . . 4.750 4.335 4.262 4.405 . 0 0 "[ . 1 . 2]" 1
446 1 71 ASP HB2 1 74 THR H . . 4.900 4.681 4.595 4.857 . 0 0 "[ . 1 . 2]" 1
447 1 71 ASP HB3 1 75 ASN H . . 4.720 3.267 3.063 3.520 . 0 0 "[ . 1 . 2]" 1
448 1 71 ASP HB2 1 75 ASN H . . 5.500 4.941 4.751 5.188 . 0 0 "[ . 1 . 2]" 1
449 1 20 ALA MB 1 21 ASP H . . 4.670 2.382 2.146 2.676 . 0 0 "[ . 1 . 2]" 1
450 1 70 VAL MG1 1 75 ASN H . . 5.500 4.862 4.785 4.956 . 0 0 "[ . 1 . 2]" 1
451 1 75 ASN HB3 1 76 THR H . . 4.930 4.487 4.471 4.520 . 0 0 "[ . 1 . 2]" 1
452 1 74 THR MG 1 76 THR H . . 3.290 2.402 2.077 2.650 . 0 0 "[ . 1 . 2]" 1
453 1 75 ASN H 1 76 THR H . . 2.960 2.675 2.575 2.731 . 0 0 "[ . 1 . 2]" 1
454 1 70 VAL HA 1 77 ALA H . . 5.240 4.326 4.247 4.451 . 0 0 "[ . 1 . 2]" 1
455 1 68 PHE QD 1 77 ALA H . . 5.500 5.515 5.468 5.547 0.047 20 0 "[ . 1 . 2]" 1
456 1 70 VAL MG2 1 77 ALA H . . 5.500 4.360 4.155 4.657 . 0 0 "[ . 1 . 2]" 1
457 1 70 VAL MG1 1 78 THR H . . 5.410 5.361 5.229 5.423 0.013 14 0 "[ . 1 . 2]" 1
458 1 78 THR H 1 79 ALA MB . . 5.170 4.523 4.495 4.555 . 0 0 "[ . 1 . 2]" 1
459 1 79 ALA H 1 80 PRO HD2 . . 5.130 4.812 4.807 4.814 . 0 0 "[ . 1 . 2]" 1
460 1 32 ILE H 1 86 THR H . . 2.810 2.439 2.328 2.531 . 0 0 "[ . 1 . 2]" 1
461 1 29 TRP HE3 1 88 GLN H . . 4.760 4.150 3.950 4.287 . 0 0 "[ . 1 . 2]" 1
462 1 87 VAL H 1 88 GLN H . . 4.800 4.525 4.502 4.557 . 0 0 "[ . 1 . 2]" 1
463 1 89 ARG H 1 89 ARG HD3 . . 5.500 5.098 4.875 5.249 . 0 0 "[ . 1 . 2]" 1
464 1 92 LYS HA 1 93 ALA H . . 3.230 2.286 2.141 2.760 . 0 0 "[ . 1 . 2]" 1
465 1 93 ALA H 1 93 ALA MB . . 3.500 2.463 2.101 2.931 . 0 0 "[ . 1 . 2]" 1
466 1 37 THR MG 1 39 CYS H . . 5.500 5.456 5.325 5.507 0.007 9 0 "[ . 1 . 2]" 1
467 1 13 ALA MB 1 14 LYS H . . 4.600 2.680 1.907 3.710 . 0 0 "[ . 1 . 2]" 1
468 1 50 VAL H 1 50 VAL MG2 . . 4.010 2.050 1.939 2.177 . 0 0 "[ . 1 . 2]" 1
469 1 50 VAL H 1 50 VAL HB . . 3.630 3.612 3.603 3.621 . 0 0 "[ . 1 . 2]" 1
470 1 49 GLU HB2 1 50 VAL H . . 4.350 3.947 3.842 4.027 . 0 0 "[ . 1 . 2]" 1
471 1 47 LYS HA 1 50 VAL H . . 4.320 4.154 3.969 4.301 . 0 0 "[ . 1 . 2]" 1
472 1 46 MET HA 1 50 VAL H . . 4.790 3.583 3.461 3.813 . 0 0 "[ . 1 . 2]" 1
473 1 42 LYS H 1 42 LYS HB2 . . 3.860 3.596 3.577 3.603 . 0 0 "[ . 1 . 2]" 1
474 1 42 LYS H 1 42 LYS HB3 . . 3.560 2.511 2.386 2.610 . 0 0 "[ . 1 . 2]" 1
475 1 26 TYR HB3 1 27 VAL H . . 4.760 4.345 4.197 4.524 . 0 0 "[ . 1 . 2]" 1
476 1 26 TYR HB2 1 27 VAL H . . 4.760 3.820 3.765 3.885 . 0 0 "[ . 1 . 2]" 1
477 1 24 SER HA 1 27 VAL H . . 5.500 5.268 5.140 5.447 . 0 0 "[ . 1 . 2]" 1
478 1 26 TYR QD 1 27 VAL H . . 5.250 4.703 4.518 4.815 . 0 0 "[ . 1 . 2]" 1
479 1 26 TYR H 1 27 VAL H . . 4.090 4.035 3.959 4.091 0.001 1 0 "[ . 1 . 2]" 1
480 1 32 ILE H 1 32 ILE MG . . 3.780 3.677 3.660 3.688 . 0 0 "[ . 1 . 2]" 1
481 1 32 ILE H 1 85 PHE HB2 . . 4.190 3.926 3.818 4.031 . 0 0 "[ . 1 . 2]" 1
482 1 52 TRP HB2 1 53 LYS H . . 4.020 3.931 3.865 3.985 . 0 0 "[ . 1 . 2]" 1
483 1 46 MET HG2 1 47 LYS H . . 3.180 2.068 1.904 2.197 . 0 0 "[ . 1 . 2]" 1
484 1 81 GLN HB3 1 83 GLN H . . 5.160 4.994 4.888 5.126 . 0 0 "[ . 1 . 2]" 1
485 1 32 ILE MG 1 86 THR H . . 4.400 3.467 3.389 3.528 . 0 0 "[ . 1 . 2]" 1
486 1 91 VAL H 1 91 VAL MG2 . . 4.020 3.205 2.285 3.857 . 0 0 "[ . 1 . 2]" 1
487 1 79 ALA H 1 80 PRO HA . . 5.130 5.055 4.974 5.093 . 0 0 "[ . 1 . 2]" 1
488 1 71 ASP HA 1 74 THR H . . 4.930 4.781 4.621 4.889 . 0 0 "[ . 1 . 2]" 1
489 1 73 SER HB3 1 74 THR H . . 3.630 2.619 2.263 3.480 . 0 0 "[ . 1 . 2]" 1
490 1 72 LEU QB 1 73 SER H . . 3.860 2.544 2.481 2.760 . 0 0 "[ . 1 . 2]" 1
491 1 73 SER H 1 75 ASN H . . 3.870 3.790 3.716 3.851 . 0 0 "[ . 1 . 2]" 1
492 1 61 VAL MG2 1 68 PHE H . . 4.010 3.439 3.248 3.726 . 0 0 "[ . 1 . 2]" 1
493 1 61 VAL H 1 68 PHE H . . 3.700 2.752 2.659 2.859 . 0 0 "[ . 1 . 2]" 1
494 1 61 VAL H 1 69 THR HA . . 3.970 3.831 3.718 3.930 . 0 0 "[ . 1 . 2]" 1
495 1 56 LYS HA 1 58 ASP H . . 4.520 4.315 4.234 4.422 . 0 0 "[ . 1 . 2]" 1
496 1 52 TRP H 1 56 LYS HB2 . . 4.910 4.698 4.498 4.832 . 0 0 "[ . 1 . 2]" 1
497 1 52 TRP H 1 53 LYS HG2 . . 5.500 4.404 4.158 4.639 . 0 0 "[ . 1 . 2]" 1
498 1 51 ALA H 1 56 LYS HB2 . . 5.370 5.052 4.866 5.235 . 0 0 "[ . 1 . 2]" 1
499 1 51 ALA H 1 56 LYS HG3 . . 5.500 4.729 4.530 4.839 . 0 0 "[ . 1 . 2]" 1
500 1 44 THR HA 1 48 LEU H . . 5.020 4.543 4.267 4.774 . 0 0 "[ . 1 . 2]" 1
501 1 42 LYS HA 1 45 ASN H . . 4.110 3.730 3.624 3.959 . 0 0 "[ . 1 . 2]" 1
502 1 44 THR H 1 45 ASN QB . . 4.790 4.210 4.082 4.404 . 0 0 "[ . 1 . 2]" 1
503 1 40 PHE HB3 1 44 THR H . . 5.500 4.284 4.026 4.451 . 0 0 "[ . 1 . 2]" 1
504 1 32 ILE HB 1 33 ASP H . . 4.540 4.490 4.480 4.500 . 0 0 "[ . 1 . 2]" 1
505 1 27 VAL MG2 1 29 TRP HE1 . . 4.800 2.051 1.872 2.283 . 0 0 "[ . 1 . 2]" 1
506 1 17 GLU HB2 1 18 SER H . . 5.500 3.698 2.625 4.084 . 0 0 "[ . 1 . 2]" 1
507 1 17 GLU HB3 1 18 SER H . . 5.500 3.247 2.680 4.049 . 0 0 "[ . 1 . 2]" 1
508 1 69 THR MG 1 71 ASP H . . 4.730 4.102 3.895 4.284 . 0 0 "[ . 1 . 2]" 1
509 1 48 LEU H 1 48 LEU HB3 . . 3.950 3.632 3.604 3.647 . 0 0 "[ . 1 . 2]" 1
510 1 32 ILE MD 1 86 THR H . . 4.740 3.715 3.618 3.807 . 0 0 "[ . 1 . 2]" 1
511 1 32 ILE MD 1 88 GLN H . . 5.120 3.941 3.816 4.135 . 0 0 "[ . 1 . 2]" 1
512 1 32 ILE MD 1 33 ASP H . . 5.390 4.963 4.952 4.980 . 0 0 "[ . 1 . 2]" 1
513 1 32 ILE MD 1 38 GLN H . . 5.500 5.365 5.244 5.458 . 0 0 "[ . 1 . 2]" 1
514 1 32 ILE MD 1 88 GLN HE21 . . 4.370 2.604 2.419 2.838 . 0 0 "[ . 1 . 2]" 1
515 1 31 TYR HA 1 32 ILE MD . . 4.270 3.235 3.184 3.316 . 0 0 "[ . 1 . 2]" 1
516 1 32 ILE HA 1 32 ILE MD . . 4.140 3.215 3.204 3.225 . 0 0 "[ . 1 . 2]" 1
517 1 32 ILE MD 1 37 THR HA . . 4.860 4.549 4.524 4.617 . 0 0 "[ . 1 . 2]" 1
518 1 32 ILE MD 1 88 GLN QG . . 3.440 3.013 2.853 3.438 . 0 0 "[ . 1 . 2]" 1
519 1 32 ILE HB 1 32 ILE MD . . 2.990 2.139 2.102 2.221 . 0 0 "[ . 1 . 2]" 1
520 1 32 ILE MD 1 86 THR MG . . 3.410 2.793 2.204 2.996 . 0 0 "[ . 1 . 2]" 1
521 1 82 GLY HA2 1 84 THR MG . . 5.230 4.376 4.340 4.409 . 0 0 "[ . 1 . 2]" 1
522 1 34 LYS HB2 1 36 ILE MD . . 3.980 3.044 2.873 3.226 . 0 0 "[ . 1 . 2]" 1
523 1 63 ILE HA 1 63 ILE MD . . 4.510 3.811 3.776 3.847 . 0 0 "[ . 1 . 2]" 1
524 1 40 PHE QE 1 63 ILE MD . . 2.990 1.974 1.887 2.227 . 0 0 "[ . 1 . 2]" 1
525 1 40 PHE HZ 1 63 ILE MD . . 3.740 2.604 2.252 2.977 . 0 0 "[ . 1 . 2]" 1
526 1 31 TYR QD 1 63 ILE MD . . 4.260 3.830 3.726 3.892 . 0 0 "[ . 1 . 2]" 1
527 1 63 ILE MD 1 68 PHE HB2 . . 4.150 2.611 2.333 2.860 . 0 0 "[ . 1 . 2]" 1
528 1 31 TYR HB3 1 63 ILE MD . . 3.970 3.882 3.751 3.954 . 0 0 "[ . 1 . 2]" 1
529 1 31 TYR HB2 1 63 ILE MD . . 4.040 4.011 3.937 4.058 0.018 8 0 "[ . 1 . 2]" 1
530 1 63 ILE MD 1 68 PHE HB3 . . 4.060 2.921 2.702 3.075 . 0 0 "[ . 1 . 2]" 1
531 1 63 ILE HB 1 63 ILE MD . . 3.050 2.345 2.306 2.428 . 0 0 "[ . 1 . 2]" 1
532 1 61 VAL MG2 1 63 ILE MD . . 3.380 2.059 1.947 2.207 . 0 0 "[ . 1 . 2]" 1
533 1 63 ILE MD 1 63 ILE MG . . 3.030 2.031 1.934 2.083 . 0 0 "[ . 1 . 2]" 1
534 1 31 TYR QD 1 85 PHE HB3 . . 3.830 2.804 2.649 2.908 . 0 0 "[ . 1 . 2]" 1
535 1 31 TYR HB2 1 85 PHE HB3 . . 3.900 3.142 3.078 3.168 . 0 0 "[ . 1 . 2]" 1
536 1 77 ALA MB 1 85 PHE HB3 . . 4.190 3.981 3.869 4.079 . 0 0 "[ . 1 . 2]" 1
537 1 33 ASP H 1 33 ASP HB3 . . 3.670 2.558 2.429 2.754 . 0 0 "[ . 1 . 2]" 1
538 1 33 ASP H 1 33 ASP HB2 . . 4.120 2.551 2.365 2.683 . 0 0 "[ . 1 . 2]" 1
539 1 51 ALA HA 1 56 LYS QE . . 4.140 3.855 3.568 4.174 0.034 12 0 "[ . 1 . 2]" 1
540 1 55 LYS QE 1 55 LYS HG2 . . 3.640 2.779 2.135 3.484 . 0 0 "[ . 1 . 2]" 1
541 1 55 LYS QE 1 55 LYS HG3 . . 3.640 2.755 2.087 3.466 . 0 0 "[ . 1 . 2]" 1
542 1 68 PHE HB2 1 69 THR H . . 4.090 4.043 3.873 4.118 0.028 2 0 "[ . 1 . 2]" 1
543 1 68 PHE HB2 1 70 VAL MG2 . . 4.230 3.996 3.898 4.156 . 0 0 "[ . 1 . 2]" 1
544 1 61 VAL MG2 1 68 PHE HB2 . . 3.390 2.967 2.797 3.101 . 0 0 "[ . 1 . 2]" 1
545 1 68 PHE H 1 68 PHE HB3 . . 3.900 3.609 3.599 3.618 . 0 0 "[ . 1 . 2]" 1
546 1 61 VAL MG2 1 68 PHE HB3 . . 3.630 3.546 3.332 3.645 0.015 18 0 "[ . 1 . 2]" 1
547 1 68 PHE HB3 1 70 VAL MG2 . . 4.230 3.336 3.228 3.560 . 0 0 "[ . 1 . 2]" 1
548 1 53 LYS HA 1 53 LYS QE . . 4.440 3.279 1.953 3.955 . 0 0 "[ . 1 . 2]" 1
549 1 53 LYS HB3 1 53 LYS QE . . 3.260 2.255 1.954 3.288 0.028 10 0 "[ . 1 . 2]" 1
550 1 53 LYS QE 1 53 LYS HG3 . . 3.650 2.561 2.253 3.208 . 0 0 "[ . 1 . 2]" 1
551 1 53 LYS QE 1 53 LYS HG2 . . 3.570 3.109 2.080 3.452 . 0 0 "[ . 1 . 2]" 1
552 1 28 GLU HB3 1 92 LYS QE . . 4.260 2.902 2.182 4.058 . 0 0 "[ . 1 . 2]" 1
553 1 92 LYS HA 1 92 LYS QE . . 4.290 3.129 1.961 4.171 . 0 0 "[ . 1 . 2]" 1
554 1 92 LYS HB3 1 92 LYS QE . . 4.080 3.529 2.393 4.075 . 0 0 "[ . 1 . 2]" 1
555 1 89 ARG HD2 1 89 ARG QH1 . . 3.590 3.264 2.598 3.392 . 0 0 "[ . 1 . 2]" 1
556 1 29 TRP HZ2 1 89 ARG HD2 . . 3.880 2.066 1.995 2.287 . 0 0 "[ . 1 . 2]" 1
557 1 89 ARG HD3 1 89 ARG QH1 . . 3.590 1.900 1.888 1.939 . 0 0 "[ . 1 . 2]" 1
558 1 57 LYS HA 1 72 LEU QB . . 3.910 3.804 3.342 3.921 0.011 15 0 "[ . 1 . 2]" 1
559 1 84 THR HB 1 85 PHE H . . 3.580 2.904 2.804 2.998 . 0 0 "[ . 1 . 2]" 1
560 1 78 THR HA 1 84 THR HB . . 4.110 3.558 3.447 3.699 . 0 0 "[ . 1 . 2]" 1
561 1 40 PHE H 1 40 PHE HB3 . . 3.890 3.588 3.551 3.608 . 0 0 "[ . 1 . 2]" 1
562 1 40 PHE HB3 1 44 THR HB . . 3.390 2.140 1.997 2.293 . 0 0 "[ . 1 . 2]" 1
563 1 40 PHE HB2 1 44 THR HB . . 3.850 3.722 3.437 3.860 0.010 14 0 "[ . 1 . 2]" 1
564 1 40 PHE HB2 1 44 THR MG . . 4.180 3.534 3.229 3.919 . 0 0 "[ . 1 . 2]" 1
565 1 31 TYR HB3 1 40 PHE QE . . 3.850 2.197 2.008 2.740 . 0 0 "[ . 1 . 2]" 1
566 1 31 TYR HB2 1 85 PHE HB2 . . 3.000 2.754 2.704 2.818 . 0 0 "[ . 1 . 2]" 1
567 1 31 TYR HB2 1 87 VAL MG1 . . 3.970 3.157 3.053 3.234 . 0 0 "[ . 1 . 2]" 1
568 1 32 ILE H 1 32 ILE HB . . 3.380 2.350 2.326 2.371 . 0 0 "[ . 1 . 2]" 1
569 1 76 THR HB 1 77 ALA H . . 4.190 4.086 4.012 4.147 . 0 0 "[ . 1 . 2]" 1
570 1 71 ASP HB3 1 76 THR HB . . 4.310 3.822 3.402 3.969 . 0 0 "[ . 1 . 2]" 1
571 1 78 THR HB 1 79 ALA H . . 3.820 3.755 3.657 3.877 0.057 20 0 "[ . 1 . 2]" 1
572 1 33 ASP HB3 1 36 ILE HB . . 4.010 2.014 1.980 2.080 . 0 0 "[ . 1 . 2]" 1
573 1 36 ILE HB 1 36 ILE MD . . 3.270 2.229 2.103 2.304 . 0 0 "[ . 1 . 2]" 1
574 1 48 LEU HB3 1 49 GLU H . . 4.110 3.349 3.051 3.671 . 0 0 "[ . 1 . 2]" 1
575 1 86 THR H 1 86 THR HB . . 3.180 2.659 2.525 2.714 . 0 0 "[ . 1 . 2]" 1
576 1 32 ILE HB 1 86 THR HB . . 3.220 2.061 1.994 2.171 . 0 0 "[ . 1 . 2]" 1
577 1 32 ILE MD 1 86 THR HB . . 3.590 2.567 2.341 2.761 . 0 0 "[ . 1 . 2]" 1
578 1 35 ASN H 1 35 ASN QB . . 3.710 2.531 2.481 2.560 . 0 0 "[ . 1 . 2]" 1
579 1 35 ASN QB 1 36 ILE MD . . 4.110 2.516 2.304 2.808 . 0 0 "[ . 1 . 2]" 1
580 1 23 ILE H 1 23 ILE HB . . 3.630 2.509 2.481 2.646 . 0 0 "[ . 1 . 2]" 1
581 1 37 THR H 1 37 THR HB . . 3.120 2.747 2.695 2.776 . 0 0 "[ . 1 . 2]" 1
582 1 22 TYR HA 1 22 TYR QD . . 3.660 2.752 2.152 3.216 . 0 0 "[ . 1 . 2]" 1
583 1 59 THR H 1 59 THR HB . . 3.790 3.194 3.034 3.304 . 0 0 "[ . 1 . 2]" 1
584 1 56 LYS HB2 1 59 THR HB . . 4.840 4.411 4.210 4.677 . 0 0 "[ . 1 . 2]" 1
585 1 59 THR HB 1 72 LEU HG . . 5.240 4.614 4.358 4.911 . 0 0 "[ . 1 . 2]" 1
586 1 31 TYR QD 1 40 PHE QE . . 3.620 3.235 2.995 3.607 . 0 0 "[ . 1 . 2]" 1
587 1 31 TYR QD 1 40 PHE HZ . . 4.230 3.784 3.572 4.026 . 0 0 "[ . 1 . 2]" 1
588 1 31 TYR QD 1 85 PHE HB2 . . 3.590 3.300 3.127 3.399 . 0 0 "[ . 1 . 2]" 1
589 1 17 GLU HA 1 17 GLU QG . . 3.780 2.731 2.185 3.455 . 0 0 "[ . 1 . 2]" 1
590 1 75 ASN HB3 1 87 VAL H . . 3.670 3.649 3.589 3.682 0.012 8 0 "[ . 1 . 2]" 1
591 1 75 ASN HB3 1 86 THR MG . . 4.470 4.012 3.923 4.059 . 0 0 "[ . 1 . 2]" 1
592 1 75 ASN HB3 1 87 VAL MG2 . . 3.620 1.972 1.962 1.979 . 0 0 "[ . 1 . 2]" 1
593 1 75 ASN HB2 1 87 VAL H . . 3.870 3.846 3.751 3.887 0.017 7 0 "[ . 1 . 2]" 1
594 1 75 ASN HB2 1 87 VAL MG2 . . 3.950 3.020 2.949 3.118 . 0 0 "[ . 1 . 2]" 1
595 1 40 PHE HA 1 40 PHE QD . . 3.550 2.742 2.403 2.980 . 0 0 "[ . 1 . 2]" 1
596 1 29 TRP HB2 1 40 PHE QD . . 3.640 3.357 2.885 3.604 . 0 0 "[ . 1 . 2]" 1
597 1 29 TRP HB3 1 40 PHE QD . . 3.390 2.740 2.108 3.037 . 0 0 "[ . 1 . 2]" 1
598 1 68 PHE QE 1 83 GLN QB . . 3.720 2.428 2.207 2.587 . 0 0 "[ . 1 . 2]" 1
599 1 63 ILE HB 1 68 PHE QE . . 4.190 4.212 4.191 4.234 0.044 8 0 "[ . 1 . 2]" 1
600 1 83 GLN HG2 1 85 PHE QE . . 4.080 3.514 2.981 3.728 . 0 0 "[ . 1 . 2]" 1
601 1 77 ALA MB 1 85 PHE QE . . 3.910 3.278 3.192 3.378 . 0 0 "[ . 1 . 2]" 1
602 1 63 ILE MD 1 85 PHE QE . . 4.030 2.669 2.449 2.793 . 0 0 "[ . 1 . 2]" 1
603 1 63 ILE MD 1 85 PHE QD . . 4.450 2.812 2.605 2.928 . 0 0 "[ . 1 . 2]" 1
604 1 44 THR HB 1 45 ASN H . . 3.850 2.671 2.428 2.765 . 0 0 "[ . 1 . 2]" 1
605 1 40 PHE QD 1 44 THR HB . . 4.120 3.279 3.050 3.501 . 0 0 "[ . 1 . 2]" 1
606 1 44 THR HB 1 47 LYS QB . . 4.690 4.484 4.400 4.603 . 0 0 "[ . 1 . 2]" 1
607 1 44 THR HA 1 46 MET H . . 4.260 4.038 3.833 4.192 . 0 0 "[ . 1 . 2]" 1
608 1 44 THR HA 1 44 THR MG . . 3.060 2.404 2.271 2.461 . 0 0 "[ . 1 . 2]" 1
609 1 62 GLN HA 1 62 GLN HG3 . . 3.710 2.347 2.290 2.643 . 0 0 "[ . 1 . 2]" 1
610 1 27 VAL H 1 27 VAL HB . . 3.730 3.325 3.267 3.378 . 0 0 "[ . 1 . 2]" 1
611 1 81 GLN HA 1 81 GLN HG3 . . 3.690 3.702 3.523 3.810 0.120 12 0 "[ . 1 . 2]" 1
612 1 66 GLN QG 1 68 PHE QE . . 3.680 1.970 1.955 1.984 . 0 0 "[ . 1 . 2]" 1
613 1 68 PHE QE 1 83 GLN HG2 . . 5.140 4.597 4.424 4.779 . 0 0 "[ . 1 . 2]" 1
614 1 28 GLU H 1 28 GLU HB3 . . 3.730 2.865 2.698 3.026 . 0 0 "[ . 1 . 2]" 1
615 1 28 GLU HB3 1 90 LEU HB2 . . 3.470 2.364 1.996 2.769 . 0 0 "[ . 1 . 2]" 1
616 1 28 GLU H 1 28 GLU HB2 . . 3.760 3.005 2.844 3.170 . 0 0 "[ . 1 . 2]" 1
617 1 28 GLU HB2 1 92 LYS QE . . 4.120 2.622 2.126 3.704 . 0 0 "[ . 1 . 2]" 1
618 1 28 GLU HB2 1 90 LEU HB2 . . 4.570 3.816 3.410 4.131 . 0 0 "[ . 1 . 2]" 1
619 1 28 GLU HB2 1 92 LYS QD . . 4.790 3.042 2.034 4.146 . 0 0 "[ . 1 . 2]" 1
620 1 30 GLN HB2 1 31 TYR H . . 4.050 3.735 3.483 3.872 . 0 0 "[ . 1 . 2]" 1
621 1 30 GLN H 1 30 GLN HG2 . . 4.280 3.742 3.634 3.825 . 0 0 "[ . 1 . 2]" 1
622 1 38 GLN H 1 38 GLN QG . . 3.770 2.905 2.757 3.061 . 0 0 "[ . 1 . 2]" 1
623 1 92 LYS H 1 92 LYS HB2 . . 3.920 2.574 2.404 2.765 . 0 0 "[ . 1 . 2]" 1
624 1 66 GLN QB 1 68 PHE QE . . 3.200 2.318 2.213 2.434 . 0 0 "[ . 1 . 2]" 1
625 1 44 THR HA 1 47 LYS QB . . 3.170 2.199 2.003 2.414 . 0 0 "[ . 1 . 2]" 1
626 1 31 TYR HB3 1 40 PHE HZ . . 3.740 2.330 2.128 2.580 . 0 0 "[ . 1 . 2]" 1
627 1 40 PHE HZ 1 61 VAL MG2 . . 3.940 3.659 3.438 3.858 . 0 0 "[ . 1 . 2]" 1
628 1 53 LYS H 1 53 LYS HB2 . . 3.200 2.425 2.339 2.499 . 0 0 "[ . 1 . 2]" 1
629 1 50 VAL HA 1 53 LYS HB2 . . 3.460 2.970 2.729 3.171 . 0 0 "[ . 1 . 2]" 1
630 1 53 LYS H 1 53 LYS HB3 . . 3.800 3.608 3.583 3.637 . 0 0 "[ . 1 . 2]" 1
631 1 56 LYS HB3 1 72 LEU MD1 . . 4.000 3.128 2.866 3.381 . 0 0 "[ . 1 . 2]" 1
632 1 51 ALA HA 1 56 LYS HB3 . . 4.220 3.992 3.803 4.147 . 0 0 "[ . 1 . 2]" 1
633 1 56 LYS HB2 1 58 ASP H . . 4.080 3.920 3.665 4.072 . 0 0 "[ . 1 . 2]" 1
634 1 51 ALA HA 1 56 LYS HB2 . . 3.710 2.795 2.556 3.172 . 0 0 "[ . 1 . 2]" 1
635 1 29 TRP HB2 1 29 TRP HD1 . . 3.860 2.790 2.739 2.856 . 0 0 "[ . 1 . 2]" 1
636 1 27 VAL MG1 1 29 TRP HD1 . . 3.830 2.593 2.044 2.983 . 0 0 "[ . 1 . 2]" 1
637 1 43 MET H 1 43 MET HG3 . . 4.090 3.015 2.445 3.872 . 0 0 "[ . 1 . 2]" 1
638 1 91 VAL H 1 91 VAL HB . . 3.110 2.676 2.493 3.103 . 0 0 "[ . 1 . 2]" 1
639 1 80 PRO HB3 1 81 GLN H . . 4.550 4.509 4.496 4.519 . 0 0 "[ . 1 . 2]" 1
640 1 25 THR HA 1 25 THR MG . . 3.620 2.625 2.178 3.201 . 0 0 "[ . 1 . 2]" 1
641 1 46 MET HA 1 46 MET HG2 . . 3.760 3.763 3.725 3.791 0.031 8 0 "[ . 1 . 2]" 1
642 1 73 SER H 1 73 SER HB2 . . 3.690 2.235 2.192 2.285 . 0 0 "[ . 1 . 2]" 1
643 1 24 SER QB 1 25 THR H . . 4.070 2.584 2.444 2.800 . 0 0 "[ . 1 . 2]" 1
644 1 73 SER HB2 1 74 THR MG . . 4.760 4.375 3.669 4.711 . 0 0 "[ . 1 . 2]" 1
645 1 73 SER HB3 1 74 THR MG . . 4.760 3.644 3.309 4.297 . 0 0 "[ . 1 . 2]" 1
646 1 50 VAL HB 1 51 ALA H . . 3.680 3.606 3.465 3.719 0.039 11 0 "[ . 1 . 2]" 1
647 1 38 GLN HB3 1 39 CYS H . . 3.510 2.117 2.040 2.242 . 0 0 "[ . 1 . 2]" 1
648 1 38 GLN HB2 1 39 CYS H . . 3.510 3.387 3.295 3.491 . 0 0 "[ . 1 . 2]" 1
649 1 38 GLN H 1 38 GLN HB2 . . 3.530 2.524 2.466 2.587 . 0 0 "[ . 1 . 2]" 1
650 1 29 TRP HZ2 1 52 TRP HD1 . . 3.780 3.663 3.447 3.798 0.018 15 0 "[ . 1 . 2]" 1
651 1 52 TRP HD1 1 72 LEU QB . . 3.800 2.901 2.651 3.331 . 0 0 "[ . 1 . 2]" 1
652 1 52 TRP HD1 1 72 LEU MD2 . . 3.950 2.357 2.088 2.670 . 0 0 "[ . 1 . 2]" 1
653 1 76 THR MG 1 86 THR HA . . 3.650 3.038 2.972 3.155 . 0 0 "[ . 1 . 2]" 1
654 1 86 THR HA 1 87 VAL MG2 . . 4.200 3.530 3.438 3.597 . 0 0 "[ . 1 . 2]" 1
655 1 77 ALA H 1 86 THR HA . . 4.050 3.181 3.061 3.256 . 0 0 "[ . 1 . 2]" 1
656 1 28 GLU H 1 91 VAL HA . . 4.100 3.677 3.198 4.102 0.002 5 0 "[ . 1 . 2]" 1
657 1 91 VAL HA 1 92 LYS H . . 3.050 2.179 2.139 2.293 . 0 0 "[ . 1 . 2]" 1
658 1 33 ASP H 1 37 THR HA . . 3.100 2.561 2.496 2.613 . 0 0 "[ . 1 . 2]" 1
659 1 32 ILE HA 1 37 THR HA . . 3.290 2.304 2.284 2.329 . 0 0 "[ . 1 . 2]" 1
660 1 32 ILE HG12 1 37 THR HA . . 4.640 4.669 4.657 4.678 0.038 6 0 "[ . 1 . 2]" 1
661 1 32 ILE HG13 1 37 THR HA . . 3.620 3.230 3.209 3.266 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE MG 1 37 THR HA . . 3.580 3.570 3.537 3.594 0.014 14 0 "[ . 1 . 2]" 1
663 1 52 TRP HA 1 52 TRP HE3 . . 4.120 3.977 3.921 4.055 . 0 0 "[ . 1 . 2]" 1
664 1 52 TRP HA 1 52 TRP HD1 . . 3.870 3.608 3.585 3.622 . 0 0 "[ . 1 . 2]" 1
665 1 52 TRP HA 1 72 LEU MD2 . . 3.730 2.702 2.424 2.908 . 0 0 "[ . 1 . 2]" 1
666 1 52 TRP HB3 1 53 LYS H . . 3.750 2.785 2.644 2.901 . 0 0 "[ . 1 . 2]" 1
667 1 29 TRP HZ2 1 52 TRP HB3 . . 3.650 2.341 2.148 2.582 . 0 0 "[ . 1 . 2]" 1
668 1 49 GLU HA 1 52 TRP HB3 . . 3.770 2.650 2.497 2.755 . 0 0 "[ . 1 . 2]" 1
669 1 29 TRP HZ2 1 52 TRP HB2 . . 3.390 2.484 2.354 2.577 . 0 0 "[ . 1 . 2]" 1
670 1 49 GLU HA 1 52 TRP HB2 . . 4.030 3.262 3.054 3.477 . 0 0 "[ . 1 . 2]" 1
671 1 52 TRP HB2 1 72 LEU MD1 . . 4.030 3.258 3.051 3.413 . 0 0 "[ . 1 . 2]" 1
672 1 34 LYS HB3 1 35 ASN H . . 3.440 3.010 2.961 3.052 . 0 0 "[ . 1 . 2]" 1
673 1 47 LYS HD3 1 61 VAL MG1 . . 4.320 3.368 2.744 4.307 . 0 0 "[ . 1 . 2]" 1
674 1 76 THR HA 1 77 ALA H . . 2.830 2.184 2.171 2.196 . 0 0 "[ . 1 . 2]" 1
675 1 76 THR HA 1 76 THR MG . . 3.000 2.466 2.433 2.482 . 0 0 "[ . 1 . 2]" 1
676 1 76 THR HA 1 87 VAL H . . 3.870 2.506 2.428 2.573 . 0 0 "[ . 1 . 2]" 1
677 1 70 VAL HA 1 71 ASP H . . 2.950 2.148 2.139 2.168 . 0 0 "[ . 1 . 2]" 1
678 1 70 VAL HA 1 70 VAL MG2 . . 3.090 2.375 2.290 2.439 . 0 0 "[ . 1 . 2]" 1
679 1 70 VAL HA 1 70 VAL MG1 . . 2.990 2.378 2.296 2.462 . 0 0 "[ . 1 . 2]" 1
680 1 70 VAL HA 1 78 THR H . . 3.860 3.653 3.562 3.746 . 0 0 "[ . 1 . 2]" 1
681 1 60 VAL HA 1 69 THR HA . . 3.040 2.445 2.327 2.516 . 0 0 "[ . 1 . 2]" 1
682 1 60 VAL HA 1 60 VAL MG2 . . 3.100 2.264 2.224 2.321 . 0 0 "[ . 1 . 2]" 1
683 1 60 VAL HA 1 61 VAL MG2 . . 3.950 3.691 3.467 3.816 . 0 0 "[ . 1 . 2]" 1
684 1 74 THR HA 1 74 THR MG . . 3.360 3.203 3.190 3.207 . 0 0 "[ . 1 . 2]" 1
685 1 59 THR HA 1 60 VAL MG2 . . 4.100 3.910 3.745 4.066 . 0 0 "[ . 1 . 2]" 1
686 1 59 THR HA 1 59 THR MG . . 3.280 3.201 3.186 3.207 . 0 0 "[ . 1 . 2]" 1
687 1 29 TRP HE1 1 49 GLU HB2 . . 3.760 2.182 1.982 2.346 . 0 0 "[ . 1 . 2]" 1
688 1 89 ARG HB3 1 89 ARG HD2 . . 3.690 3.197 3.013 3.315 . 0 0 "[ . 1 . 2]" 1
689 1 89 ARG HB3 1 89 ARG HD3 . . 3.690 2.593 2.341 2.798 . 0 0 "[ . 1 . 2]" 1
690 1 89 ARG HB2 1 89 ARG HD2 . . 3.720 2.430 2.251 2.691 . 0 0 "[ . 1 . 2]" 1
691 1 89 ARG HB2 1 89 ARG HD3 . . 3.720 2.898 2.769 3.088 . 0 0 "[ . 1 . 2]" 1
692 1 78 THR HA 1 85 PHE H . . 4.340 3.890 3.799 3.950 . 0 0 "[ . 1 . 2]" 1
693 1 78 THR HA 1 79 ALA H . . 2.870 2.264 2.239 2.340 . 0 0 "[ . 1 . 2]" 1
694 1 68 PHE QD 1 78 THR HA . . 3.790 3.655 3.509 3.782 . 0 0 "[ . 1 . 2]" 1
695 1 78 THR HA 1 84 THR HA . . 3.210 2.435 2.399 2.485 . 0 0 "[ . 1 . 2]" 1
696 1 78 THR HA 1 84 THR MG . . 3.430 2.307 2.195 2.463 . 0 0 "[ . 1 . 2]" 1
697 1 78 THR HA 1 79 ALA MB . . 4.290 3.858 3.808 3.884 . 0 0 "[ . 1 . 2]" 1
698 1 53 LYS HB2 1 53 LYS QD . . 3.810 3.436 3.240 3.543 . 0 0 "[ . 1 . 2]" 1
699 1 23 ILE MD 1 53 LYS QD . . 4.650 4.152 3.265 4.656 0.006 5 0 "[ . 1 . 2]" 1
700 1 63 ILE HA 1 63 ILE HG13 . . 3.750 2.934 2.835 2.976 . 0 0 "[ . 1 . 2]" 1
701 1 63 ILE HA 1 63 ILE HG12 . . 3.470 2.495 2.423 2.566 . 0 0 "[ . 1 . 2]" 1
702 1 63 ILE HA 1 63 ILE MG . . 3.210 2.423 2.363 2.486 . 0 0 "[ . 1 . 2]" 1
703 1 92 LYS HA 1 92 LYS QD . . 4.380 2.616 1.990 3.746 . 0 0 "[ . 1 . 2]" 1
704 1 68 PHE HZ 1 83 GLN QB . . 3.370 1.976 1.963 1.986 . 0 0 "[ . 1 . 2]" 1
705 1 79 ALA MB 1 83 GLN QB . . 3.530 3.177 3.074 3.240 . 0 0 "[ . 1 . 2]" 1
706 1 55 LYS HA 1 55 LYS HD2 . . 5.500 4.408 3.861 4.873 . 0 0 "[ . 1 . 2]" 1
707 1 55 LYS HA 1 55 LYS HD3 . . 5.500 4.402 3.850 4.703 . 0 0 "[ . 1 . 2]" 1
708 1 68 PHE QE 1 84 THR HA . . 3.860 3.418 3.319 3.525 . 0 0 "[ . 1 . 2]" 1
709 1 84 THR HA 1 84 THR MG . . 3.300 2.472 2.423 2.517 . 0 0 "[ . 1 . 2]" 1
710 1 77 ALA MB 1 84 THR HA . . 4.050 3.773 3.704 3.845 . 0 0 "[ . 1 . 2]" 1
711 1 56 LYS HB3 1 56 LYS QD . . 3.600 2.195 2.077 2.309 . 0 0 "[ . 1 . 2]" 1
712 1 56 LYS H 1 56 LYS QD . . 4.420 4.121 4.016 4.263 . 0 0 "[ . 1 . 2]" 1
713 1 55 LYS H 1 55 LYS HB2 . . 4.100 3.447 3.279 3.575 . 0 0 "[ . 1 . 2]" 1
714 1 36 ILE HA 1 36 ILE HG12 . . 3.880 3.599 3.562 3.659 . 0 0 "[ . 1 . 2]" 1
715 1 36 ILE HA 1 36 ILE HG13 . . 3.650 2.473 2.394 2.567 . 0 0 "[ . 1 . 2]" 1
716 1 36 ILE HA 1 36 ILE MG . . 3.010 2.265 2.171 2.352 . 0 0 "[ . 1 . 2]" 1
717 1 47 LYS HA 1 47 LYS HG3 . . 3.590 3.118 2.900 3.417 . 0 0 "[ . 1 . 2]" 1
718 1 47 LYS HA 1 47 LYS HG2 . . 3.700 2.362 2.277 2.435 . 0 0 "[ . 1 . 2]" 1
719 1 47 LYS HA 1 50 VAL MG1 . . 3.610 3.211 2.813 3.504 . 0 0 "[ . 1 . 2]" 1
720 1 47 LYS HA 1 50 VAL MG2 . . 4.150 2.133 1.967 2.359 . 0 0 "[ . 1 . 2]" 1
721 1 46 MET HG2 1 47 LYS HA . . 3.970 3.670 3.551 3.780 . 0 0 "[ . 1 . 2]" 1
722 1 70 VAL MG1 1 72 LEU HG . . 3.730 3.503 3.343 3.683 . 0 0 "[ . 1 . 2]" 1
723 1 72 LEU H 1 72 LEU HG . . 3.500 2.216 2.057 2.315 . 0 0 "[ . 1 . 2]" 1
724 1 27 VAL MG1 1 89 ARG HG2 . . 5.500 5.404 5.124 5.505 0.005 12 0 "[ . 1 . 2]" 1
725 1 27 VAL MG1 1 89 ARG HG3 . . 5.500 4.771 4.534 5.231 . 0 0 "[ . 1 . 2]" 1
726 1 32 ILE HA 1 32 ILE HG12 . . 3.840 3.421 3.404 3.427 . 0 0 "[ . 1 . 2]" 1
727 1 32 ILE H 1 32 ILE HG13 . . 4.170 3.659 3.583 3.711 . 0 0 "[ . 1 . 2]" 1
728 1 32 ILE HG13 1 33 ASP H . . 4.370 4.187 4.148 4.218 . 0 0 "[ . 1 . 2]" 1
729 1 32 ILE HA 1 32 ILE HG13 . . 3.700 2.150 2.138 2.158 . 0 0 "[ . 1 . 2]" 1
730 1 32 ILE HG13 1 32 ILE MG . . 2.970 2.727 2.701 2.745 . 0 0 "[ . 1 . 2]" 1
731 1 90 LEU HA 1 90 LEU HG . . 4.070 2.768 2.634 3.923 . 0 0 "[ . 1 . 2]" 1
732 1 32 ILE H 1 87 VAL HA . . 4.060 3.694 3.621 3.764 . 0 0 "[ . 1 . 2]" 1
733 1 31 TYR HB3 1 87 VAL HA . . 3.930 3.735 3.610 3.857 . 0 0 "[ . 1 . 2]" 1
734 1 29 TRP HZ3 1 52 TRP HD1 . . 4.300 3.999 3.813 4.257 . 0 0 "[ . 1 . 2]" 1
735 1 29 TRP HZ3 1 52 TRP HB2 . . 4.720 4.343 4.140 4.539 . 0 0 "[ . 1 . 2]" 1
736 1 81 GLN HB2 1 82 GLY H . . 4.770 2.694 2.635 2.733 . 0 0 "[ . 1 . 2]" 1
737 1 46 MET HA 1 46 MET HG3 . . 3.750 3.605 3.570 3.640 . 0 0 "[ . 1 . 2]" 1
738 1 36 ILE HG12 1 36 ILE MG . . 3.290 2.109 2.021 2.239 . 0 0 "[ . 1 . 2]" 1
739 1 40 PHE QE 1 63 ILE HG13 . . 3.490 3.085 2.784 3.376 . 0 0 "[ . 1 . 2]" 1
740 1 40 PHE QE 1 63 ILE HG12 . . 3.580 2.266 1.998 2.890 . 0 0 "[ . 1 . 2]" 1
741 1 61 VAL MG2 1 63 ILE HG12 . . 3.940 2.901 2.707 3.225 . 0 0 "[ . 1 . 2]" 1
742 1 29 TRP HE1 1 49 GLU HA . . 3.740 2.490 2.294 2.749 . 0 0 "[ . 1 . 2]" 1
743 1 29 TRP HZ2 1 49 GLU HA . . 4.120 2.094 2.005 2.201 . 0 0 "[ . 1 . 2]" 1
744 1 17 GLU HA 1 20 ALA MB . . 3.780 2.490 1.918 3.779 . 0 0 "[ . 1 . 2]" 1
745 1 34 LYS HA 1 34 LYS HG2 . . 3.950 2.603 2.430 2.756 . 0 0 "[ . 1 . 2]" 1
746 1 34 LYS HA 1 34 LYS HG3 . . 3.950 3.486 3.014 3.806 . 0 0 "[ . 1 . 2]" 1
747 1 48 LEU HA 1 48 LEU HG . . 3.780 3.032 2.993 3.071 . 0 0 "[ . 1 . 2]" 1
748 1 48 LEU HG 1 61 VAL MG1 . . 3.930 2.863 2.459 3.087 . 0 0 "[ . 1 . 2]" 1
749 1 29 TRP HA 1 90 LEU H . . 3.990 3.726 3.557 3.919 . 0 0 "[ . 1 . 2]" 1
750 1 30 GLN HG2 1 39 CYS HA . . 3.600 2.820 2.527 2.983 . 0 0 "[ . 1 . 2]" 1
751 1 29 TRP HA 1 29 TRP HE3 . . 4.130 3.685 3.527 3.877 . 0 0 "[ . 1 . 2]" 1
752 1 29 TRP HA 1 29 TRP HB3 . . 2.960 2.576 2.566 2.586 . 0 0 "[ . 1 . 2]" 1
753 1 15 GLU HA 1 15 GLU QG . . 3.770 2.865 2.192 3.428 . 0 0 "[ . 1 . 2]" 1
754 1 16 LYS HA 1 16 LYS QG . . 3.780 2.823 2.166 3.413 . 0 0 "[ . 1 . 2]" 1
755 1 48 LEU HA 1 51 ALA H . . 4.250 3.529 3.414 3.661 . 0 0 "[ . 1 . 2]" 1
756 1 48 LEU HA 1 51 ALA MB . . 3.490 3.061 2.731 3.387 . 0 0 "[ . 1 . 2]" 1
757 1 48 LEU HA 1 59 THR MG . . 3.060 2.033 1.966 2.212 . 0 0 "[ . 1 . 2]" 1
758 1 48 LEU HA 1 48 LEU MD1 . . 4.250 3.898 3.867 3.942 . 0 0 "[ . 1 . 2]" 1
759 1 48 LEU HB3 1 48 LEU MD1 . . 3.500 2.418 2.326 2.570 . 0 0 "[ . 1 . 2]" 1
760 1 45 ASN HA 1 48 LEU HB2 . . 4.060 3.788 3.445 3.975 . 0 0 "[ . 1 . 2]" 1
761 1 29 TRP HD1 1 45 ASN HA . . 4.310 4.103 3.693 4.318 0.008 2 0 "[ . 1 . 2]" 1
762 1 29 TRP HB2 1 45 ASN HA . . 3.620 2.404 2.126 2.618 . 0 0 "[ . 1 . 2]" 1
763 1 29 TRP HB3 1 45 ASN HA . . 4.140 3.764 3.520 3.976 . 0 0 "[ . 1 . 2]" 1
764 1 40 PHE HB3 1 45 ASN HA . . 4.390 3.483 3.283 3.780 . 0 0 "[ . 1 . 2]" 1
765 1 53 LYS H 1 53 LYS HG3 . . 3.690 3.567 3.460 3.671 . 0 0 "[ . 1 . 2]" 1
766 1 52 TRP HE3 1 53 LYS HG3 . . 4.250 4.041 3.863 4.277 0.027 8 0 "[ . 1 . 2]" 1
767 1 50 VAL HA 1 53 LYS HG3 . . 4.180 3.859 3.630 4.081 . 0 0 "[ . 1 . 2]" 1
768 1 53 LYS H 1 53 LYS HG2 . . 3.990 2.526 2.220 2.781 . 0 0 "[ . 1 . 2]" 1
769 1 53 LYS HA 1 53 LYS HG2 . . 3.550 2.769 2.607 2.958 . 0 0 "[ . 1 . 2]" 1
770 1 56 LYS HG3 1 72 LEU MD1 . . 4.100 3.925 3.665 4.102 0.002 18 0 "[ . 1 . 2]" 1
771 1 57 LYS H 1 72 LEU MD1 . . 4.540 3.875 3.662 4.070 . 0 0 "[ . 1 . 2]" 1
772 1 56 LYS H 1 72 LEU MD1 . . 4.210 3.090 2.842 3.266 . 0 0 "[ . 1 . 2]" 1
773 1 29 TRP HZ3 1 72 LEU MD1 . . 5.500 5.417 5.230 5.503 0.003 1 0 "[ . 1 . 2]" 1
774 1 29 TRP HZ2 1 72 LEU MD1 . . 5.500 5.381 5.139 5.505 0.005 7 0 "[ . 1 . 2]" 1
775 1 72 LEU HA 1 72 LEU MD1 . . 4.200 3.953 3.937 3.971 . 0 0 "[ . 1 . 2]" 1
776 1 52 TRP HA 1 72 LEU MD1 . . 3.320 1.987 1.957 2.083 . 0 0 "[ . 1 . 2]" 1
777 1 57 LYS HA 1 72 LEU MD1 . . 3.820 3.620 3.387 3.819 . 0 0 "[ . 1 . 2]" 1
778 1 59 THR HB 1 72 LEU MD1 . . 3.800 3.566 3.074 3.798 . 0 0 "[ . 1 . 2]" 1
779 1 72 LEU QB 1 72 LEU MD1 . . 2.780 2.000 1.940 2.097 . 0 0 "[ . 1 . 2]" 1
780 1 56 LYS HB2 1 72 LEU MD1 . . 3.130 2.261 2.011 2.418 . 0 0 "[ . 1 . 2]" 1
781 1 83 GLN HA 1 83 GLN HG3 . . 3.420 2.274 2.231 2.376 . 0 0 "[ . 1 . 2]" 1
782 1 56 LYS HA 1 56 LYS HG2 . . 3.320 2.690 2.538 3.012 . 0 0 "[ . 1 . 2]" 1
783 1 57 LYS HA 1 57 LYS HG2 . . 3.850 3.066 2.183 3.779 . 0 0 "[ . 1 . 2]" 1
784 1 57 LYS HA 1 57 LYS HG3 . . 3.850 3.121 2.710 3.598 . 0 0 "[ . 1 . 2]" 1
785 1 92 LYS HA 1 92 LYS HG3 . . 3.860 3.793 3.449 3.885 0.025 12 0 "[ . 1 . 2]" 1
786 1 14 LYS HA 1 14 LYS QG . . 3.550 2.631 2.140 3.395 . 0 0 "[ . 1 . 2]" 1
787 1 52 TRP HE3 1 53 LYS H . . 3.920 3.105 2.835 3.360 . 0 0 "[ . 1 . 2]" 1
788 1 52 TRP HB3 1 52 TRP HE3 . . 3.680 2.804 2.787 2.811 . 0 0 "[ . 1 . 2]" 1
789 1 52 TRP HE3 1 53 LYS HA . . 3.800 2.171 1.993 2.329 . 0 0 "[ . 1 . 2]" 1
790 1 52 TRP HE3 1 53 LYS HB3 . . 4.540 4.113 3.917 4.393 . 0 0 "[ . 1 . 2]" 1
791 1 52 TRP HE3 1 53 LYS HG2 . . 4.030 2.398 2.176 2.717 . 0 0 "[ . 1 . 2]" 1
792 1 29 TRP HH2 1 72 LEU MD2 . . 3.570 2.180 2.048 2.344 . 0 0 "[ . 1 . 2]" 1
793 1 68 PHE HA 1 68 PHE QD . . 4.090 2.714 2.679 2.753 . 0 0 "[ . 1 . 2]" 1
794 1 64 HIS HA 1 64 HIS HD2 . . 4.210 2.898 2.627 3.115 . 0 0 "[ . 1 . 2]" 1
795 1 81 GLN HA 1 81 GLN HG2 . . 3.690 2.889 2.496 3.151 . 0 0 "[ . 1 . 2]" 1
796 1 55 LYS H 1 55 LYS HA . . 2.680 2.278 2.274 2.285 . 0 0 "[ . 1 . 2]" 1
797 1 55 LYS HA 1 55 LYS HG2 . . 3.440 2.369 2.200 2.531 . 0 0 "[ . 1 . 2]" 1
798 1 55 LYS HA 1 55 LYS HG3 . . 3.440 3.243 3.006 3.439 . 0 0 "[ . 1 . 2]" 1
799 1 90 LEU MD2 1 91 VAL H . . 4.970 4.697 4.387 4.972 0.002 7 0 "[ . 1 . 2]" 1
800 1 30 GLN HE21 1 90 LEU MD2 . . 4.190 2.641 2.024 4.057 . 0 0 "[ . 1 . 2]" 1
801 1 88 GLN HE21 1 90 LEU MD2 . . 5.360 4.218 3.557 4.795 . 0 0 "[ . 1 . 2]" 1
802 1 30 GLN HE22 1 90 LEU MD2 . . 4.250 3.304 2.881 3.892 . 0 0 "[ . 1 . 2]" 1
803 1 90 LEU HA 1 90 LEU MD2 . . 3.790 3.608 3.421 3.702 . 0 0 "[ . 1 . 2]" 1
804 1 72 LEU HA 1 75 ASN H . . 3.770 3.098 2.809 3.295 . 0 0 "[ . 1 . 2]" 1
805 1 72 LEU HA 1 72 LEU HG . . 3.560 2.945 2.904 3.000 . 0 0 "[ . 1 . 2]" 1
806 1 70 VAL MG1 1 72 LEU HA . . 3.880 3.741 3.618 3.824 . 0 0 "[ . 1 . 2]" 1
807 1 30 GLN HE21 1 90 LEU MD1 . . 4.190 2.560 2.058 3.927 . 0 0 "[ . 1 . 2]" 1
808 1 30 GLN HE22 1 90 LEU MD1 . . 4.250 3.818 3.570 4.174 . 0 0 "[ . 1 . 2]" 1
809 1 90 LEU HA 1 90 LEU MD1 . . 3.790 3.457 2.431 3.614 . 0 0 "[ . 1 . 2]" 1
810 1 88 GLN QG 1 90 LEU MD1 . . 3.580 1.953 1.772 2.222 . 0 0 "[ . 1 . 2]" 1
811 1 90 LEU HB2 1 90 LEU MD1 . . 3.230 2.186 2.024 3.188 . 0 0 "[ . 1 . 2]" 1
812 1 92 LYS HA 1 92 LYS HG2 . . 3.860 2.897 2.431 3.293 . 0 0 "[ . 1 . 2]" 1
813 1 29 TRP HZ3 1 72 LEU MD2 . . 3.360 2.814 2.560 2.921 . 0 0 "[ . 1 . 2]" 1
814 1 72 LEU HA 1 72 LEU MD2 . . 3.030 2.508 2.266 2.625 . 0 0 "[ . 1 . 2]" 1
815 1 52 TRP HB2 1 72 LEU MD2 . . 3.930 2.061 1.927 2.216 . 0 0 "[ . 1 . 2]" 1
816 1 72 LEU QB 1 72 LEU MD2 . . 3.100 2.058 1.995 2.182 . 0 0 "[ . 1 . 2]" 1
817 1 52 TRP HB3 1 72 LEU MD2 . . 4.510 3.512 3.338 3.676 . 0 0 "[ . 1 . 2]" 1
818 1 62 GLN HA 1 62 GLN HG2 . . 3.710 3.569 3.519 3.718 0.008 16 0 "[ . 1 . 2]" 1
819 1 44 THR MG 1 61 VAL HA . . 4.150 4.052 3.823 4.168 0.018 15 0 "[ . 1 . 2]" 1
820 1 44 THR MG 1 47 LYS QB . . 3.500 2.454 2.263 2.641 . 0 0 "[ . 1 . 2]" 1
821 1 40 PHE QD 1 44 THR MG . . 3.400 2.158 1.843 2.461 . 0 0 "[ . 1 . 2]" 1
822 1 40 PHE QE 1 44 THR MG . . 4.040 3.339 3.150 3.577 . 0 0 "[ . 1 . 2]" 1
823 1 40 PHE HB3 1 44 THR MG . . 3.750 2.394 2.073 2.836 . 0 0 "[ . 1 . 2]" 1
824 1 44 THR MG 1 61 VAL HB . . 3.050 2.216 1.971 2.384 . 0 0 "[ . 1 . 2]" 1
825 1 29 TRP HB2 1 29 TRP HE3 . . 4.130 3.999 3.934 4.047 . 0 0 "[ . 1 . 2]" 1
826 1 29 TRP HB3 1 29 TRP HE3 . . 3.630 2.452 2.419 2.488 . 0 0 "[ . 1 . 2]" 1
827 1 29 TRP HE3 1 87 VAL HB . . 3.870 2.614 2.453 2.771 . 0 0 "[ . 1 . 2]" 1
828 1 29 TRP HE3 1 87 VAL MG2 . . 4.210 3.822 3.581 3.990 . 0 0 "[ . 1 . 2]" 1
829 1 29 TRP HE3 1 48 LEU MD1 . . 4.840 2.242 1.987 2.599 . 0 0 "[ . 1 . 2]" 1
830 1 75 ASN HA 1 87 VAL MG2 . . 3.270 2.072 2.000 2.153 . 0 0 "[ . 1 . 2]" 1
831 1 70 VAL MG1 1 75 ASN HA . . 4.350 3.638 3.556 3.743 . 0 0 "[ . 1 . 2]" 1
832 1 51 ALA HA 1 56 LYS QD . . 4.210 4.128 3.664 4.212 0.002 10 0 "[ . 1 . 2]" 1
833 1 51 ALA HA 1 56 LYS HG3 . . 2.970 2.012 1.980 2.098 . 0 0 "[ . 1 . 2]" 1
834 1 51 ALA HA 1 54 ALA MB . . 2.850 2.593 2.475 2.836 . 0 0 "[ . 1 . 2]" 1
835 1 31 TYR HA 1 88 GLN H . . 3.940 3.625 3.504 3.715 . 0 0 "[ . 1 . 2]" 1
836 1 31 TYR HA 1 31 TYR QD . . 4.230 3.725 3.712 3.738 . 0 0 "[ . 1 . 2]" 1
837 1 31 TYR HA 1 31 TYR HB3 . . 3.020 2.482 2.464 2.506 . 0 0 "[ . 1 . 2]" 1
838 1 31 TYR HA 1 87 VAL MG1 . . 3.610 2.903 2.652 3.037 . 0 0 "[ . 1 . 2]" 1
839 1 28 GLU HA 1 29 TRP H . . 3.220 2.161 2.138 2.260 . 0 0 "[ . 1 . 2]" 1
840 1 67 ASP HA 1 68 PHE H . . 2.870 2.164 2.154 2.176 . 0 0 "[ . 1 . 2]" 1
841 1 62 GLN HA 1 67 ASP HA . . 3.350 2.352 2.006 2.531 . 0 0 "[ . 1 . 2]" 1
842 1 66 GLN HA 1 67 ASP HA . . 4.830 4.345 4.334 4.358 . 0 0 "[ . 1 . 2]" 1
843 1 62 GLN HB3 1 65 ASN HA . . 4.030 3.798 3.744 3.838 . 0 0 "[ . 1 . 2]" 1
844 1 89 ARG HA 1 90 LEU H . . 2.910 2.156 2.143 2.170 . 0 0 "[ . 1 . 2]" 1
845 1 30 GLN H 1 89 ARG HA . . 4.370 4.251 4.020 4.341 . 0 0 "[ . 1 . 2]" 1
846 1 29 TRP HA 1 89 ARG HA . . 3.250 3.146 2.946 3.247 . 0 0 "[ . 1 . 2]" 1
847 1 89 ARG HA 1 89 ARG HG2 . . 3.910 3.055 2.810 3.218 . 0 0 "[ . 1 . 2]" 1
848 1 89 ARG HA 1 89 ARG HG3 . . 3.910 2.369 2.272 2.511 . 0 0 "[ . 1 . 2]" 1
849 1 50 VAL MG1 1 51 ALA H . . 4.080 3.924 3.811 4.074 . 0 0 "[ . 1 . 2]" 1
850 1 50 VAL HA 1 50 VAL MG1 . . 3.030 2.223 2.140 2.304 . 0 0 "[ . 1 . 2]" 1
851 1 48 LEU H 1 48 LEU MD2 . . 4.190 3.711 3.607 3.786 . 0 0 "[ . 1 . 2]" 1
852 1 48 LEU HA 1 48 LEU MD2 . . 4.250 2.239 2.055 2.452 . 0 0 "[ . 1 . 2]" 1
853 1 48 LEU MD2 1 61 VAL MG1 . . 3.670 2.037 1.817 2.317 . 0 0 "[ . 1 . 2]" 1
854 1 48 LEU HB3 1 48 LEU MD2 . . 3.500 2.223 2.111 2.320 . 0 0 "[ . 1 . 2]" 1
855 1 86 THR H 1 86 THR MG . . 4.050 3.860 3.723 3.891 . 0 0 "[ . 1 . 2]" 1
856 1 86 THR MG 1 87 VAL H . . 3.410 2.668 2.408 2.758 . 0 0 "[ . 1 . 2]" 1
857 1 86 THR MG 1 87 VAL HA . . 4.950 3.920 3.697 4.071 . 0 0 "[ . 1 . 2]" 1
858 1 86 THR HA 1 86 THR MG . . 3.250 2.349 2.239 2.526 . 0 0 "[ . 1 . 2]" 1
859 1 75 ASN HB2 1 86 THR MG . . 4.510 3.286 3.157 3.376 . 0 0 "[ . 1 . 2]" 1
860 1 86 THR MG 1 88 GLN QG . . 4.830 4.672 4.447 4.843 0.013 13 0 "[ . 1 . 2]" 1
861 1 32 ILE HB 1 86 THR MG . . 4.480 3.641 3.307 3.805 . 0 0 "[ . 1 . 2]" 1
862 1 23 ILE HA 1 26 TYR QE . . 3.870 2.485 1.998 3.072 . 0 0 "[ . 1 . 2]" 1
863 1 66 GLN HA 1 66 GLN QG . . 3.490 3.269 3.249 3.296 . 0 0 "[ . 1 . 2]" 1
864 1 87 VAL MG1 1 88 GLN H . . 3.750 3.592 3.436 3.678 . 0 0 "[ . 1 . 2]" 1
865 1 29 TRP HE3 1 87 VAL MG1 . . 3.590 3.283 3.036 3.415 . 0 0 "[ . 1 . 2]" 1
866 1 40 PHE QE 1 87 VAL MG1 . . 3.230 1.942 1.784 1.971 . 0 0 "[ . 1 . 2]" 1
867 1 40 PHE HZ 1 87 VAL MG1 . . 3.280 2.509 2.126 2.896 . 0 0 "[ . 1 . 2]" 1
868 1 87 VAL HA 1 87 VAL MG1 . . 3.120 2.154 2.071 2.202 . 0 0 "[ . 1 . 2]" 1
869 1 76 THR HA 1 87 VAL MG1 . . 4.480 3.896 3.737 4.075 . 0 0 "[ . 1 . 2]" 1
870 1 86 THR HA 1 87 VAL MG1 . . 4.840 4.093 4.028 4.216 . 0 0 "[ . 1 . 2]" 1
871 1 31 TYR HB3 1 87 VAL MG1 . . 3.340 2.494 2.360 2.661 . 0 0 "[ . 1 . 2]" 1
872 1 70 VAL MG2 1 87 VAL MG1 . . 3.910 2.617 2.423 2.879 . 0 0 "[ . 1 . 2]" 1
873 1 77 ALA H 1 87 VAL MG1 . . 4.350 3.647 3.470 3.816 . 0 0 "[ . 1 . 2]" 1
874 1 61 VAL H 1 70 VAL MG2 . . 3.850 3.640 3.354 3.855 0.005 10 0 "[ . 1 . 2]" 1
875 1 40 PHE QE 1 70 VAL MG2 . . 4.270 3.635 3.206 3.964 . 0 0 "[ . 1 . 2]" 1
876 1 60 VAL HA 1 70 VAL MG2 . . 4.240 3.955 3.650 4.209 . 0 0 "[ . 1 . 2]" 1
877 1 69 THR HA 1 70 VAL MG2 . . 3.990 3.873 3.753 3.999 0.009 2 0 "[ . 1 . 2]" 1
878 1 70 VAL MG2 1 77 ALA MB . . 2.850 1.953 1.866 2.179 . 0 0 "[ . 1 . 2]" 1
879 1 61 VAL MG2 1 70 VAL MG2 . . 2.770 1.879 1.785 1.922 . 0 0 "[ . 1 . 2]" 1
880 1 30 GLN HA 1 40 PHE QD . . 3.970 2.785 2.418 3.024 . 0 0 "[ . 1 . 2]" 1
881 1 30 GLN HA 1 39 CYS HA . . 3.140 1.998 1.988 2.017 . 0 0 "[ . 1 . 2]" 1
882 1 30 GLN HA 1 30 GLN HG2 . . 3.310 2.573 2.445 2.949 . 0 0 "[ . 1 . 2]" 1
883 1 90 LEU HA 1 91 VAL H . . 2.690 2.197 2.141 2.402 . 0 0 "[ . 1 . 2]" 1
884 1 70 VAL HA 1 77 ALA MB . . 3.240 2.852 2.745 2.953 . 0 0 "[ . 1 . 2]" 1
885 1 77 ALA MB 1 87 VAL MG2 . . 5.210 3.799 3.664 3.907 . 0 0 "[ . 1 . 2]" 1
886 1 70 VAL MG1 1 77 ALA MB . . 3.630 3.198 2.999 3.336 . 0 0 "[ . 1 . 2]" 1
887 1 77 ALA H 1 77 ALA MB . . 3.040 2.214 2.166 2.295 . 0 0 "[ . 1 . 2]" 1
888 1 68 PHE QD 1 77 ALA MB . . 3.080 2.278 2.203 2.365 . 0 0 "[ . 1 . 2]" 1
889 1 76 THR HA 1 77 ALA MB . . 3.970 3.952 3.930 3.972 0.002 12 0 "[ . 1 . 2]" 1
890 1 68 PHE HB3 1 77 ALA MB . . 3.210 2.817 2.653 2.969 . 0 0 "[ . 1 . 2]" 1
891 1 37 THR MG 1 38 GLN H . . 3.290 3.105 2.948 3.155 . 0 0 "[ . 1 . 2]" 1
892 1 37 THR MG 1 88 GLN HE22 . . 3.980 2.722 2.502 2.755 . 0 0 "[ . 1 . 2]" 1
893 1 30 GLN HE22 1 37 THR MG . . 5.010 4.923 4.664 5.026 0.016 12 0 "[ . 1 . 2]" 1
894 1 37 THR HA 1 37 THR MG . . 3.100 2.278 2.243 2.321 . 0 0 "[ . 1 . 2]" 1
895 1 61 VAL H 1 61 VAL MG1 . . 3.810 3.051 2.957 3.190 . 0 0 "[ . 1 . 2]" 1
896 1 61 VAL MG1 1 62 GLN H . . 4.110 3.762 3.682 3.848 . 0 0 "[ . 1 . 2]" 1
897 1 60 VAL HA 1 61 VAL MG1 . . 4.570 3.645 3.511 3.814 . 0 0 "[ . 1 . 2]" 1
898 1 61 VAL HA 1 61 VAL MG1 . . 3.160 2.357 2.213 2.433 . 0 0 "[ . 1 . 2]" 1
899 1 47 LYS QB 1 61 VAL MG1 . . 3.260 2.452 2.232 2.731 . 0 0 "[ . 1 . 2]" 1
900 1 44 THR MG 1 61 VAL MG1 . . 2.610 2.276 1.890 2.500 . 0 0 "[ . 1 . 2]" 1
901 1 48 LEU MD1 1 61 VAL MG1 . . 3.670 3.506 3.256 3.674 0.004 20 0 "[ . 1 . 2]" 1
902 1 76 THR MG 1 77 ALA HA . . 3.760 3.739 3.690 3.758 . 0 0 "[ . 1 . 2]" 1
903 1 78 THR H 1 78 THR MG . . 4.020 3.989 3.929 4.010 . 0 0 "[ . 1 . 2]" 1
904 1 78 THR MG 1 79 ALA H . . 3.470 1.873 1.838 1.901 . 0 0 "[ . 1 . 2]" 1
905 1 76 THR MG 1 84 THR HA . . 4.450 4.006 3.935 4.149 . 0 0 "[ . 1 . 2]" 1
906 1 78 THR MG 1 84 THR HA . . 4.710 3.822 3.703 3.984 . 0 0 "[ . 1 . 2]" 1
907 1 78 THR HA 1 78 THR MG . . 3.210 2.247 2.186 2.358 . 0 0 "[ . 1 . 2]" 1
908 1 78 THR MG 1 82 GLY HA2 . . 4.880 4.845 4.794 4.894 0.014 20 0 "[ . 1 . 2]" 1
909 1 58 ASP HB3 1 69 THR MG . . 3.580 3.424 3.177 3.577 . 0 0 "[ . 1 . 2]" 1
910 1 69 THR HA 1 69 THR MG . . 3.230 2.328 2.234 2.397 . 0 0 "[ . 1 . 2]" 1
911 1 58 ASP HB2 1 69 THR MG . . 3.270 2.352 2.065 2.493 . 0 0 "[ . 1 . 2]" 1
912 1 60 VAL MG2 1 61 VAL H . . 3.840 3.662 3.532 3.816 . 0 0 "[ . 1 . 2]" 1
913 1 60 VAL MG2 1 69 THR HA . . 3.290 2.424 2.240 2.635 . 0 0 "[ . 1 . 2]" 1
914 1 37 THR MG 1 38 GLN HA . . 4.330 4.013 3.908 4.068 . 0 0 "[ . 1 . 2]" 1
915 1 38 GLN HA 1 38 GLN QG . . 3.420 2.661 2.297 2.977 . 0 0 "[ . 1 . 2]" 1
916 1 70 VAL MG1 1 77 ALA H . . 4.930 4.289 4.075 4.466 . 0 0 "[ . 1 . 2]" 1
917 1 70 VAL MG1 1 71 ASP H . . 3.670 2.958 2.772 3.127 . 0 0 "[ . 1 . 2]" 1
918 1 70 VAL MG1 1 87 VAL MG1 . . 3.230 2.060 1.914 2.373 . 0 0 "[ . 1 . 2]" 1
919 1 58 ASP HB3 1 71 ASP HA . . 3.640 2.066 1.990 2.223 . 0 0 "[ . 1 . 2]" 1
920 1 58 ASP HB2 1 71 ASP HA . . 3.560 2.836 2.531 3.038 . 0 0 "[ . 1 . 2]" 1
921 1 84 THR MG 1 85 PHE H . . 3.980 3.964 3.885 4.004 0.024 5 0 "[ . 1 . 2]" 1
922 1 50 VAL HA 1 50 VAL MG2 . . 3.290 3.193 3.177 3.203 . 0 0 "[ . 1 . 2]" 1
923 1 31 TYR QE 1 40 PHE QE . . 5.240 4.569 4.302 4.970 . 0 0 "[ . 1 . 2]" 1
924 1 31 TYR QE 1 64 HIS HD2 . . 5.500 4.369 3.812 4.690 . 0 0 "[ . 1 . 2]" 1
925 1 31 TYR QE 1 38 GLN HB3 . . 3.940 3.263 3.139 3.374 . 0 0 "[ . 1 . 2]" 1
926 1 31 TYR QE 1 33 ASP HB2 . . 3.850 2.802 2.552 2.985 . 0 0 "[ . 1 . 2]" 1
927 1 31 TYR QE 1 38 GLN HB2 . . 4.020 3.014 2.911 3.133 . 0 0 "[ . 1 . 2]" 1
928 1 31 TYR QE 1 63 ILE MG . . 3.810 3.489 3.260 3.776 . 0 0 "[ . 1 . 2]" 1
929 1 60 VAL MG1 1 68 PHE H . . 3.830 2.778 2.697 2.939 . 0 0 "[ . 1 . 2]" 1
930 1 60 VAL H 1 60 VAL MG1 . . 4.550 3.683 3.632 3.741 . 0 0 "[ . 1 . 2]" 1
931 1 60 VAL MG1 1 62 GLN HE22 . . 4.550 3.612 3.176 4.049 . 0 0 "[ . 1 . 2]" 1
932 1 60 VAL MG1 1 62 GLN HE21 . . 4.550 3.550 2.976 4.566 0.016 6 0 "[ . 1 . 2]" 1
933 1 60 VAL HA 1 60 VAL MG1 . . 3.090 2.546 2.489 2.613 . 0 0 "[ . 1 . 2]" 1
934 1 60 VAL MG1 1 67 ASP HA . . 3.430 3.395 3.306 3.455 0.025 12 0 "[ . 1 . 2]" 1
935 1 60 VAL MG1 1 61 VAL HA . . 3.690 3.160 3.071 3.281 . 0 0 "[ . 1 . 2]" 1
936 1 33 ASP HA 1 85 PHE QE . . 4.090 3.739 3.606 4.001 . 0 0 "[ . 1 . 2]" 1
937 1 32 ILE MG 1 33 ASP HA . . 4.180 3.956 3.903 3.988 . 0 0 "[ . 1 . 2]" 1
938 1 58 ASP HA 1 72 LEU H . . 3.720 2.421 2.251 2.535 . 0 0 "[ . 1 . 2]" 1
939 1 58 ASP HA 1 69 THR MG . . 4.700 4.451 4.152 4.638 . 0 0 "[ . 1 . 2]" 1
940 1 58 ASP HA 1 72 LEU MD1 . . 3.660 3.170 2.975 3.323 . 0 0 "[ . 1 . 2]" 1
941 1 58 ASP HA 1 72 LEU HG . . 3.700 2.735 2.523 2.843 . 0 0 "[ . 1 . 2]" 1
942 1 29 TRP HZ3 1 87 VAL MG2 . . 3.970 2.870 2.653 3.069 . 0 0 "[ . 1 . 2]" 1
943 1 87 VAL HA 1 87 VAL MG2 . . 3.730 3.181 3.168 3.187 . 0 0 "[ . 1 . 2]" 1
944 1 76 THR HA 1 87 VAL MG2 . . 4.140 2.804 2.692 2.930 . 0 0 "[ . 1 . 2]" 1
945 1 86 THR MG 1 87 VAL MG2 . . 4.720 3.624 3.520 3.691 . 0 0 "[ . 1 . 2]" 1
946 1 70 VAL MG1 1 87 VAL MG2 . . 3.440 2.079 1.961 2.175 . 0 0 "[ . 1 . 2]" 1
947 1 59 THR MG 1 70 VAL H . . 4.260 3.531 3.368 3.645 . 0 0 "[ . 1 . 2]" 1
948 1 59 THR MG 1 70 VAL HB . . 3.140 2.097 1.896 2.275 . 0 0 "[ . 1 . 2]" 1
949 1 51 ALA MB 1 59 THR MG . . 3.140 2.386 2.178 2.754 . 0 0 "[ . 1 . 2]" 1
950 1 59 THR MG 1 61 VAL MG1 . . 3.640 2.680 2.355 2.964 . 0 0 "[ . 1 . 2]" 1
951 1 79 ALA HA 1 80 PRO HD2 . . 3.150 2.394 2.378 2.424 . 0 0 "[ . 1 . 2]" 1
952 1 79 ALA HA 1 80 PRO HD3 . . 3.150 2.297 2.291 2.308 . 0 0 "[ . 1 . 2]" 1
953 1 20 ALA H 1 20 ALA MB . . 3.560 2.148 2.028 2.254 . 0 0 "[ . 1 . 2]" 1
954 1 13 ALA MB 1 14 LYS QB . . 4.260 3.838 2.994 4.276 0.016 10 0 "[ . 1 . 2]" 1
955 1 54 ALA MB 1 56 LYS H . . 3.350 3.269 3.183 3.364 0.014 12 0 "[ . 1 . 2]" 1
956 1 78 THR MG 1 79 ALA MB . . 3.910 3.890 3.779 3.925 0.015 6 0 "[ . 1 . 2]" 1
957 1 79 ALA H 1 79 ALA MB . . 3.190 2.638 2.608 2.706 . 0 0 "[ . 1 . 2]" 1
958 1 79 ALA MB 1 81 GLN H . . 3.830 2.385 2.288 2.435 . 0 0 "[ . 1 . 2]" 1
959 1 68 PHE QE 1 79 ALA MB . . 3.310 2.439 2.399 2.525 . 0 0 "[ . 1 . 2]" 1
960 1 68 PHE HZ 1 79 ALA MB . . 3.620 2.552 2.465 2.704 . 0 0 "[ . 1 . 2]" 1
961 1 79 ALA MB 1 80 PRO HA . . 4.670 4.446 4.431 4.450 . 0 0 "[ . 1 . 2]" 1
962 1 79 ALA MB 1 80 PRO HD2 . . 3.390 1.959 1.951 1.971 . 0 0 "[ . 1 . 2]" 1
963 1 79 ALA MB 1 80 PRO HD3 . . 3.390 3.214 3.174 3.243 . 0 0 "[ . 1 . 2]" 1
964 1 79 ALA MB 1 81 GLN HB2 . . 3.320 2.902 2.858 2.976 . 0 0 "[ . 1 . 2]" 1
965 1 51 ALA MB 1 59 THR HB . . 3.080 1.959 1.839 2.253 . 0 0 "[ . 1 . 2]" 1
966 1 51 ALA MB 1 56 LYS HB3 . . 3.530 2.995 2.638 3.269 . 0 0 "[ . 1 . 2]" 1
967 1 51 ALA MB 1 56 LYS QD . . 3.860 3.837 3.760 3.895 0.035 11 0 "[ . 1 . 2]" 1
968 1 51 ALA MB 1 56 LYS HB2 . . 3.060 2.227 2.008 2.450 . 0 0 "[ . 1 . 2]" 1
969 1 51 ALA MB 1 72 LEU MD2 . . 3.800 2.507 2.145 2.867 . 0 0 "[ . 1 . 2]" 1
970 1 51 ALA MB 1 72 LEU MD1 . . 2.870 1.861 1.750 2.021 . 0 0 "[ . 1 . 2]" 1
971 1 40 PHE QE 1 61 VAL MG2 . . 3.480 2.575 2.090 3.175 . 0 0 "[ . 1 . 2]" 1
972 1 61 VAL MG2 1 63 ILE HB . . 4.250 3.914 3.812 4.038 . 0 0 "[ . 1 . 2]" 1
973 1 32 ILE MG 1 86 THR HB . . 4.110 3.333 3.272 3.439 . 0 0 "[ . 1 . 2]" 1
974 1 32 ILE MG 1 33 ASP H . . 3.220 3.064 2.946 3.133 . 0 0 "[ . 1 . 2]" 1
975 1 32 ILE HA 1 32 ILE MG . . 3.240 2.530 2.502 2.575 . 0 0 "[ . 1 . 2]" 1
976 1 71 ASP H 1 77 ALA HA . . 3.440 3.063 2.849 3.178 . 0 0 "[ . 1 . 2]" 1
977 1 70 VAL HA 1 77 ALA HA . . 2.960 2.047 1.973 2.183 . 0 0 "[ . 1 . 2]" 1
978 1 70 VAL MG2 1 77 ALA HA . . 3.670 3.082 2.815 3.275 . 0 0 "[ . 1 . 2]" 1
979 1 70 VAL MG1 1 77 ALA HA . . 3.740 3.607 3.440 3.712 . 0 0 "[ . 1 . 2]" 1
980 1 43 MET HA 1 46 MET ME . . 4.040 1.973 1.821 2.118 . 0 0 "[ . 1 . 2]" 1
981 1 42 LYS HA 1 46 MET ME . . 5.080 4.853 4.563 5.081 0.001 19 0 "[ . 1 . 2]" 1
982 1 46 MET ME 1 46 MET HG2 . . 3.290 2.243 2.148 2.356 . 0 0 "[ . 1 . 2]" 1
983 1 46 MET ME 1 47 LYS HG3 . . 4.200 3.948 3.690 4.169 . 0 0 "[ . 1 . 2]" 1
984 1 46 MET ME 1 50 VAL MG1 . . 5.050 4.861 4.760 4.967 . 0 0 "[ . 1 . 2]" 1
985 1 36 ILE HG13 1 36 ILE MG . . 3.370 2.653 2.587 2.709 . 0 0 "[ . 1 . 2]" 1
986 1 36 ILE H 1 36 ILE MG . . 4.330 3.931 3.907 3.950 . 0 0 "[ . 1 . 2]" 1
987 1 43 MET HA 1 43 MET ME . . 4.350 3.851 2.768 4.351 0.001 3 0 "[ . 1 . 2]" 1
988 1 43 MET ME 1 43 MET HG2 . . 4.010 2.747 1.994 3.384 . 0 0 "[ . 1 . 2]" 1
989 1 43 MET ME 1 43 MET HG3 . . 4.010 2.808 2.088 3.401 . 0 0 "[ . 1 . 2]" 1
990 1 63 ILE MG 1 68 PHE QE . . 4.390 4.100 3.895 4.296 . 0 0 "[ . 1 . 2]" 1
991 1 63 ILE MG 1 64 HIS HD2 . . 3.290 2.040 1.808 2.663 . 0 0 "[ . 1 . 2]" 1
992 1 63 ILE MG 1 85 PHE QD . . 3.860 3.553 3.372 3.686 . 0 0 "[ . 1 . 2]" 1
993 1 63 ILE MG 1 64 HIS HB2 . . 4.260 2.833 2.426 3.097 . 0 0 "[ . 1 . 2]" 1
994 1 63 ILE HG13 1 63 ILE MG . . 3.660 3.202 3.197 3.203 . 0 0 "[ . 1 . 2]" 1
995 1 63 ILE HG12 1 63 ILE MG . . 3.360 2.399 2.315 2.443 . 0 0 "[ . 1 . 2]" 1
996 1 29 TRP HE1 1 49 GLU HB3 . . 4.180 1.980 1.895 2.212 . 0 0 "[ . 1 . 2]" 1
997 1 44 THR MG 1 45 ASN HA . . 4.310 3.712 3.595 3.952 . 0 0 "[ . 1 . 2]" 1
998 1 45 ASN HA 1 48 LEU H . . 4.310 4.066 3.823 4.192 . 0 0 "[ . 1 . 2]" 1
999 1 44 THR HB 1 47 LYS H . . 5.370 5.253 5.153 5.372 0.002 11 0 "[ . 1 . 2]" 1
1000 1 43 MET HA 1 46 MET HG2 . . 4.310 3.808 3.501 4.053 . 0 0 "[ . 1 . 2]" 1
1001 1 31 TYR QE 1 40 PHE HA . . 4.440 3.040 2.881 3.286 . 0 0 "[ . 1 . 2]" 1
1002 1 31 TYR QE 1 38 GLN QG . . 4.190 4.084 3.943 4.197 0.007 8 0 "[ . 1 . 2]" 1
1003 1 36 ILE HG12 1 37 THR H . . 5.210 4.878 4.752 5.044 . 0 0 "[ . 1 . 2]" 1
1004 1 36 ILE HG13 1 37 THR H . . 4.660 4.396 4.265 4.554 . 0 0 "[ . 1 . 2]" 1
1005 1 35 ASN QB 1 36 ILE HG12 . . 5.000 4.702 4.575 4.804 . 0 0 "[ . 1 . 2]" 1
1006 1 35 ASN QB 1 36 ILE HG13 . . 5.010 3.453 3.213 3.655 . 0 0 "[ . 1 . 2]" 1
1007 1 31 TYR QD 1 33 ASP HB2 . . 4.530 3.575 3.362 3.737 . 0 0 "[ . 1 . 2]" 1
1008 1 33 ASP HB2 1 85 PHE QE . . 5.180 4.858 4.568 5.170 . 0 0 "[ . 1 . 2]" 1
1009 1 33 ASP HB3 1 36 ILE MD . . 4.610 2.758 2.354 3.129 . 0 0 "[ . 1 . 2]" 1
1010 1 63 ILE MD 1 85 PHE HB2 . . 4.630 4.222 4.139 4.287 . 0 0 "[ . 1 . 2]" 1
1011 1 32 ILE HG12 1 33 ASP H . . 5.330 5.244 5.205 5.283 . 0 0 "[ . 1 . 2]" 1
1012 1 32 ILE HG12 1 88 GLN HE22 . . 5.160 4.116 3.919 4.278 . 0 0 "[ . 1 . 2]" 1
1013 1 31 TYR HA 1 32 ILE HG13 . . 5.050 4.903 4.870 4.950 . 0 0 "[ . 1 . 2]" 1
1014 1 31 TYR HA 1 87 VAL MG2 . . 5.220 4.856 4.743 4.947 . 0 0 "[ . 1 . 2]" 1
1015 1 31 TYR HA 1 32 ILE HB . . 4.480 4.421 4.411 4.428 . 0 0 "[ . 1 . 2]" 1
1016 1 31 TYR HA 1 40 PHE QE . . 4.560 3.504 3.264 3.872 . 0 0 "[ . 1 . 2]" 1
1017 1 23 ILE HA 1 23 ILE HG13 . . 4.150 2.722 2.670 2.849 . 0 0 "[ . 1 . 2]" 1
1018 1 23 ILE HA 1 23 ILE HG12 . . 4.150 2.782 2.610 2.833 . 0 0 "[ . 1 . 2]" 1
1019 1 23 ILE HA 1 26 TYR QD . . 4.580 3.786 3.278 4.102 . 0 0 "[ . 1 . 2]" 1
1020 1 22 TYR HB3 1 23 ILE H . . 4.550 2.738 2.301 3.229 . 0 0 "[ . 1 . 2]" 1
1021 1 22 TYR HB2 1 23 ILE H . . 4.550 3.946 3.675 4.322 . 0 0 "[ . 1 . 2]" 1
1022 1 19 GLN HA 1 19 GLN HG2 . . 3.900 3.559 2.751 3.838 . 0 0 "[ . 1 . 2]" 1
1023 1 19 GLN HA 1 22 TYR HB3 . . 4.260 2.490 2.013 2.982 . 0 0 "[ . 1 . 2]" 1
1024 1 19 GLN HA 1 22 TYR HB2 . . 4.260 3.041 2.168 3.763 . 0 0 "[ . 1 . 2]" 1
1025 1 19 GLN HA 1 22 TYR H . . 5.470 3.406 3.159 3.883 . 0 0 "[ . 1 . 2]" 1
1026 1 13 ALA HA 1 14 LYS QB . . 4.650 4.283 3.800 4.686 0.036 4 0 "[ . 1 . 2]" 1
1027 1 51 ALA MB 1 52 TRP HA . . 4.680 3.810 3.751 3.888 . 0 0 "[ . 1 . 2]" 1
1028 1 52 TRP HA 1 56 LYS HB2 . . 4.500 4.301 4.145 4.476 . 0 0 "[ . 1 . 2]" 1
1029 1 53 LYS HG3 1 54 ALA H . . 5.120 4.962 4.879 5.033 . 0 0 "[ . 1 . 2]" 1
1030 1 52 TRP HE3 1 53 LYS QD . . 4.380 2.735 2.066 3.872 . 0 0 "[ . 1 . 2]" 1
1031 1 53 LYS H 1 53 LYS QD . . 4.550 4.063 3.624 4.495 . 0 0 "[ . 1 . 2]" 1
1032 1 52 TRP HZ3 1 53 LYS QE . . 4.330 3.701 1.892 4.346 0.016 14 0 "[ . 1 . 2]" 1
1033 1 52 TRP HE3 1 53 LYS QE . . 4.920 3.911 1.919 4.685 . 0 0 "[ . 1 . 2]" 1
1034 1 53 LYS HB3 1 54 ALA HA . . 4.600 4.458 4.336 4.587 . 0 0 "[ . 1 . 2]" 1
1035 1 50 VAL HA 1 54 ALA MB . . 4.360 4.209 3.925 4.386 0.026 7 0 "[ . 1 . 2]" 1
1036 1 54 ALA H 1 55 LYS HA . . 5.010 4.836 4.783 4.873 . 0 0 "[ . 1 . 2]" 1
1037 1 56 LYS HA 1 56 LYS QE . . 4.770 4.150 1.954 4.469 . 0 0 "[ . 1 . 2]" 1
1038 1 58 ASP HB3 1 72 LEU H . . 4.390 3.400 3.234 3.538 . 0 0 "[ . 1 . 2]" 1
1039 1 59 THR HB 1 70 VAL HB . . 4.950 4.818 4.415 4.952 0.002 1 0 "[ . 1 . 2]" 1
1040 1 40 PHE QE 1 61 VAL HB . . 4.550 4.251 3.718 4.532 . 0 0 "[ . 1 . 2]" 1
1041 1 40 PHE QE 1 61 VAL MG1 . . 4.630 4.329 3.618 4.622 . 0 0 "[ . 1 . 2]" 1
1042 1 48 LEU H 1 61 VAL MG1 . . 5.050 4.376 4.121 4.586 . 0 0 "[ . 1 . 2]" 1
1043 1 48 LEU HA 1 61 VAL MG1 . . 5.110 4.020 3.733 4.269 . 0 0 "[ . 1 . 2]" 1
1044 1 61 VAL MG2 1 62 GLN HA . . 4.740 4.308 4.200 4.426 . 0 0 "[ . 1 . 2]" 1
1045 1 61 VAL HA 1 62 GLN HA . . 5.120 4.332 4.326 4.338 . 0 0 "[ . 1 . 2]" 1
1046 1 62 GLN HA 1 66 GLN HA . . 5.500 4.839 4.719 4.918 . 0 0 "[ . 1 . 2]" 1
1047 1 62 GLN HA 1 68 PHE QD . . 4.660 4.649 4.469 4.705 0.045 9 0 "[ . 1 . 2]" 1
1048 1 62 GLN HB2 1 63 ILE H . . 4.520 4.468 4.425 4.493 . 0 0 "[ . 1 . 2]" 1
1049 1 63 ILE HA 1 64 HIS HD2 . . 4.590 3.411 2.951 4.179 . 0 0 "[ . 1 . 2]" 1
1050 1 63 ILE HA 1 64 HIS HA . . 4.670 4.366 4.362 4.373 . 0 0 "[ . 1 . 2]" 1
1051 1 63 ILE H 1 63 ILE HG12 . . 4.630 4.055 3.988 4.187 . 0 0 "[ . 1 . 2]" 1
1052 1 61 VAL MG2 1 63 ILE MG . . 4.500 4.211 4.137 4.323 . 0 0 "[ . 1 . 2]" 1
1053 1 31 TYR QD 1 63 ILE MG . . 4.740 3.949 3.702 4.184 . 0 0 "[ . 1 . 2]" 1
1054 1 63 ILE H 1 63 ILE MG . . 4.580 3.806 3.772 3.847 . 0 0 "[ . 1 . 2]" 1
1055 1 40 PHE QD 1 63 ILE MD . . 4.930 3.910 3.740 4.179 . 0 0 "[ . 1 . 2]" 1
1056 1 63 ILE H 1 63 ILE MD . . 4.660 4.058 3.962 4.160 . 0 0 "[ . 1 . 2]" 1
1057 1 63 ILE MG 1 64 HIS HB3 . . 4.260 4.057 3.921 4.144 . 0 0 "[ . 1 . 2]" 1
1058 1 64 HIS HB2 1 66 GLN HE21 . . 5.370 2.810 1.891 4.539 . 0 0 "[ . 1 . 2]" 1
1059 1 64 HIS HB3 1 66 GLN HE21 . . 5.370 3.610 1.904 4.817 . 0 0 "[ . 1 . 2]" 1
1060 1 64 HIS HB3 1 65 ASN H . . 4.720 4.438 4.345 4.500 . 0 0 "[ . 1 . 2]" 1
1061 1 65 ASN HA 1 66 GLN QG . . 4.390 4.298 4.257 4.409 0.019 4 0 "[ . 1 . 2]" 1
1062 1 66 GLN QB 1 79 ALA MB . . 4.350 3.756 3.600 3.956 . 0 0 "[ . 1 . 2]" 1
1063 1 63 ILE H 1 66 GLN QB . . 4.850 4.614 4.565 4.719 . 0 0 "[ . 1 . 2]" 1
1064 1 66 GLN QG 1 79 ALA MB . . 4.420 4.088 3.981 4.280 . 0 0 "[ . 1 . 2]" 1
1065 1 66 GLN QG 1 67 ASP H . . 4.740 4.434 4.379 4.468 . 0 0 "[ . 1 . 2]" 1
1066 1 67 ASP HA 1 68 PHE QD . . 4.270 3.665 3.618 3.728 . 0 0 "[ . 1 . 2]" 1
1067 1 63 ILE H 1 67 ASP HA . . 4.350 3.316 3.152 3.505 . 0 0 "[ . 1 . 2]" 1
1068 1 61 VAL H 1 67 ASP HA . . 4.780 4.369 4.231 4.513 . 0 0 "[ . 1 . 2]" 1
1069 1 69 THR HA 1 70 VAL HB . . 4.890 4.613 4.544 4.685 . 0 0 "[ . 1 . 2]" 1
1070 1 58 ASP HB2 1 70 VAL HA . . 5.280 4.945 4.658 5.137 . 0 0 "[ . 1 . 2]" 1
1071 1 69 THR MG 1 71 ASP HA . . 4.620 4.035 3.897 4.169 . 0 0 "[ . 1 . 2]" 1
1072 1 71 ASP HA 1 72 LEU HG . . 4.320 3.779 3.706 3.847 . 0 0 "[ . 1 . 2]" 1
1073 1 71 ASP HA 1 72 LEU HA . . 4.530 4.384 4.374 4.395 . 0 0 "[ . 1 . 2]" 1
1074 1 71 ASP HB3 1 74 THR MG . . 4.440 1.996 1.899 2.377 . 0 0 "[ . 1 . 2]" 1
1075 1 70 VAL HA 1 71 ASP HB3 . . 5.010 4.968 4.902 5.003 . 0 0 "[ . 1 . 2]" 1
1076 1 72 LEU HA 1 74 THR H . . 4.690 4.315 3.783 4.526 . 0 0 "[ . 1 . 2]" 1
1077 1 72 LEU HA 1 76 THR H . . 5.130 4.486 4.249 4.704 . 0 0 "[ . 1 . 2]" 1
1078 1 72 LEU QB 1 74 THR H . . 4.940 4.801 4.481 4.921 . 0 0 "[ . 1 . 2]" 1
1079 1 59 THR H 1 72 LEU MD1 . . 5.500 3.985 3.725 4.238 . 0 0 "[ . 1 . 2]" 1
1080 1 53 LYS H 1 72 LEU MD1 . . 5.500 4.497 4.378 4.647 . 0 0 "[ . 1 . 2]" 1
1081 1 72 LEU MD1 1 73 SER H . . 5.500 4.126 4.034 4.292 . 0 0 "[ . 1 . 2]" 1
1082 1 58 ASP HB2 1 72 LEU MD1 . . 5.500 5.288 5.071 5.450 . 0 0 "[ . 1 . 2]" 1
1083 1 74 THR HB 1 75 ASN H . . 4.950 4.179 4.121 4.255 . 0 0 "[ . 1 . 2]" 1
1084 1 69 THR H 1 79 ALA HA . . 4.620 3.483 3.361 3.635 . 0 0 "[ . 1 . 2]" 1
1085 1 79 ALA MB 1 81 GLN HE21 . . 4.480 4.108 3.414 4.428 . 0 0 "[ . 1 . 2]" 1
1086 1 69 THR H 1 79 ALA MB . . 4.090 3.761 3.716 3.803 . 0 0 "[ . 1 . 2]" 1
1087 1 78 THR MG 1 80 PRO HA . . 4.750 4.594 4.415 4.663 . 0 0 "[ . 1 . 2]" 1
1088 1 79 ALA MB 1 80 PRO HG2 . . 4.770 3.730 3.704 3.749 . 0 0 "[ . 1 . 2]" 1
1089 1 79 ALA MB 1 80 PRO HG3 . . 4.770 4.406 4.386 4.417 . 0 0 "[ . 1 . 2]" 1
1090 1 82 GLY HA3 1 84 THR MG . . 5.500 5.513 5.498 5.534 0.034 5 0 "[ . 1 . 2]" 1
1091 1 83 GLN H 1 83 GLN HG2 . . 4.740 4.727 4.704 4.747 0.007 17 0 "[ . 1 . 2]" 1
1092 1 83 GLN H 1 83 GLN HG3 . . 4.030 3.962 3.748 4.039 0.009 11 0 "[ . 1 . 2]" 1
1093 1 76 THR MG 1 85 PHE HA . . 4.410 4.053 3.970 4.196 . 0 0 "[ . 1 . 2]" 1
1094 1 32 ILE MD 1 87 VAL HA . . 4.680 3.740 3.657 3.810 . 0 0 "[ . 1 . 2]" 1
1095 1 87 VAL HA 1 88 GLN QG . . 4.660 3.634 3.419 4.372 . 0 0 "[ . 1 . 2]" 1
1096 1 30 GLN HB2 1 87 VAL HA . . 5.500 5.320 5.098 5.471 . 0 0 "[ . 1 . 2]" 1
1097 1 32 ILE HB 1 87 VAL HA . . 5.500 5.360 5.254 5.430 . 0 0 "[ . 1 . 2]" 1
1098 1 40 PHE QE 1 87 VAL HA . . 4.650 3.563 3.328 3.768 . 0 0 "[ . 1 . 2]" 1
1099 1 88 GLN HA 1 89 ARG HB2 . . 4.740 4.261 4.199 4.327 . 0 0 "[ . 1 . 2]" 1
1100 1 88 GLN HA 1 89 ARG HB3 . . 5.000 4.838 4.758 4.932 . 0 0 "[ . 1 . 2]" 1
1101 1 87 VAL MG2 1 88 GLN HA . . 4.990 4.189 4.138 4.278 . 0 0 "[ . 1 . 2]" 1
1102 1 32 ILE MD 1 88 GLN HA . . 5.260 4.927 4.814 5.006 . 0 0 "[ . 1 . 2]" 1
1103 1 29 TRP HE3 1 88 GLN HA . . 5.500 5.379 5.139 5.512 0.012 3 0 "[ . 1 . 2]" 1
1104 1 75 ASN HD21 1 88 GLN HA . . 5.500 4.388 4.231 4.732 . 0 0 "[ . 1 . 2]" 1
1105 1 29 TRP HZ2 1 89 ARG HB3 . . 5.300 5.062 4.795 5.308 0.008 18 0 "[ . 1 . 2]" 1
1106 1 89 ARG HG2 1 89 ARG QH1 . . 4.530 2.620 2.272 4.048 . 0 0 "[ . 1 . 2]" 1
1107 1 29 TRP HE1 1 89 ARG HG3 . . 4.960 3.013 2.781 3.360 . 0 0 "[ . 1 . 2]" 1
1108 1 93 ALA MB 1 94 SER HA . . 4.620 4.220 3.569 4.583 . 0 0 "[ . 1 . 2]" 1
1109 1 31 TYR QD 1 87 VAL MG1 . . 4.560 4.202 4.064 4.359 . 0 0 "[ . 1 . 2]" 1
1110 1 31 TYR QD 1 40 PHE QD . . 4.340 3.213 2.933 3.537 . 0 0 "[ . 1 . 2]" 1
1111 1 40 PHE HZ 1 70 VAL MG2 . . 4.470 3.121 2.841 3.427 . 0 0 "[ . 1 . 2]" 1
1112 1 40 PHE HZ 1 87 VAL MG2 . . 5.500 4.882 4.520 5.234 . 0 0 "[ . 1 . 2]" 1
1113 1 49 GLU HA 1 52 TRP H . . 4.300 3.283 3.138 3.499 . 0 0 "[ . 1 . 2]" 1
1114 1 46 MET HA 1 49 GLU HB2 . . 4.650 4.386 4.217 4.611 . 0 0 "[ . 1 . 2]" 1
1115 1 29 TRP HH2 1 48 LEU MD2 . . 5.500 5.130 4.852 5.358 . 0 0 "[ . 1 . 2]" 1
1116 1 29 TRP HE3 1 48 LEU MD2 . . 4.840 3.782 3.470 4.102 . 0 0 "[ . 1 . 2]" 1
1117 1 47 LYS H 1 48 LEU MD2 . . 5.500 5.499 5.463 5.518 0.018 8 0 "[ . 1 . 2]" 1
1118 1 48 LEU MD2 1 49 GLU H . . 5.500 4.617 4.496 4.740 . 0 0 "[ . 1 . 2]" 1
1119 1 47 LYS QB 1 48 LEU HG . . 4.900 3.255 3.146 3.357 . 0 0 "[ . 1 . 2]" 1
1120 1 44 THR HA 1 61 VAL MG1 . . 4.780 3.938 3.617 4.129 . 0 0 "[ . 1 . 2]" 1
1121 1 44 THR HA 1 47 LYS HD3 . . 4.460 3.949 3.318 4.281 . 0 0 "[ . 1 . 2]" 1
1122 1 42 LYS HA 1 45 ASN QB . . 3.310 2.654 2.339 3.124 . 0 0 "[ . 1 . 2]" 1
1123 1 36 ILE HA 1 37 THR HB . . 4.780 4.729 4.693 4.760 . 0 0 "[ . 1 . 2]" 1
1124 1 32 ILE MG 1 34 LYS HA . . 4.650 4.536 4.469 4.583 . 0 0 "[ . 1 . 2]" 1
1125 1 33 ASP HA 1 34 LYS HA . . 4.400 4.305 4.303 4.308 . 0 0 "[ . 1 . 2]" 1
1126 1 31 TYR HB3 1 85 PHE HB3 . . 4.900 4.895 4.829 4.922 0.022 16 0 "[ . 1 . 2]" 1
1127 1 31 TYR HB2 1 40 PHE QE . . 4.060 3.717 3.624 4.053 . 0 0 "[ . 1 . 2]" 1
1128 1 29 TRP HA 1 30 GLN HG3 . . 4.480 3.832 3.371 3.997 . 0 0 "[ . 1 . 2]" 1
1129 1 29 TRP HA 1 40 PHE QD . . 4.600 4.294 3.775 4.504 . 0 0 "[ . 1 . 2]" 1
1130 1 29 TRP HA 1 88 GLN H . . 4.630 4.411 4.253 4.552 . 0 0 "[ . 1 . 2]" 1
1131 1 27 VAL HB 1 28 GLU H . . 4.470 3.989 3.865 4.234 . 0 0 "[ . 1 . 2]" 1
1132 1 79 ALA MB 1 82 GLY HA2 . . 5.240 5.066 5.002 5.099 . 0 0 "[ . 1 . 2]" 1
1133 1 82 GLY HA2 1 83 GLN QB . . 5.500 4.989 4.918 5.028 . 0 0 "[ . 1 . 2]" 1
1134 1 63 ILE MD 1 85 PHE HB3 . . 5.210 5.160 5.069 5.223 0.013 19 0 "[ . 1 . 2]" 1
1135 1 77 ALA H 1 85 PHE HB3 . . 5.170 4.856 4.759 4.950 . 0 0 "[ . 1 . 2]" 1
1136 1 85 PHE H 1 85 PHE HB3 . . 4.160 3.885 3.857 3.909 . 0 0 "[ . 1 . 2]" 1
1137 1 75 ASN HB3 1 87 VAL HB . . 4.990 3.929 3.689 4.045 . 0 0 "[ . 1 . 2]" 1
1138 1 75 ASN HB3 1 76 THR HA . . 5.500 5.062 5.033 5.105 . 0 0 "[ . 1 . 2]" 1
1139 1 29 TRP HD1 1 49 GLU HB2 . . 4.490 4.127 3.845 4.355 . 0 0 "[ . 1 . 2]" 1
1140 1 29 TRP HD1 1 49 GLU HB3 . . 4.970 2.871 2.655 3.121 . 0 0 "[ . 1 . 2]" 1
1141 1 29 TRP HD1 1 49 GLU HA . . 5.030 4.619 4.378 4.836 . 0 0 "[ . 1 . 2]" 1
1142 1 29 TRP HD1 1 49 GLU H . . 4.860 3.838 3.640 4.072 . 0 0 "[ . 1 . 2]" 1
1143 1 29 TRP HZ3 1 89 ARG HB2 . . 4.730 4.212 3.958 4.491 . 0 0 "[ . 1 . 2]" 1
1144 1 31 TYR QE 1 63 ILE MD . . 4.410 4.367 4.236 4.426 0.016 18 0 "[ . 1 . 2]" 1
1145 1 31 TYR QE 1 36 ILE MG . . 5.500 5.451 5.276 5.519 0.019 12 0 "[ . 1 . 2]" 1
1146 1 31 TYR QE 1 33 ASP HB3 . . 4.980 4.500 4.216 4.701 . 0 0 "[ . 1 . 2]" 1
1147 1 31 TYR QE 1 40 PHE QD . . 4.530 4.160 4.006 4.512 . 0 0 "[ . 1 . 2]" 1
1148 1 29 TRP HE1 1 89 ARG HG2 . . 4.960 4.318 3.880 4.734 . 0 0 "[ . 1 . 2]" 1
1149 1 89 ARG HG3 1 89 ARG QH1 . . 4.530 3.753 3.544 4.406 . 0 0 "[ . 1 . 2]" 1
1150 1 29 TRP HZ2 1 89 ARG HG3 . . 4.960 3.228 2.698 3.569 . 0 0 "[ . 1 . 2]" 1
1151 1 89 ARG HG3 1 90 LEU H . . 5.130 3.210 2.918 3.566 . 0 0 "[ . 1 . 2]" 1
1152 1 31 TYR QD 1 38 GLN QG . . 5.360 5.298 5.174 5.373 0.013 9 0 "[ . 1 . 2]" 1
1153 1 31 TYR QD 1 40 PHE H . . 5.200 3.300 3.032 3.777 . 0 0 "[ . 1 . 2]" 1
1154 1 31 TYR QD 1 33 ASP H . . 4.850 3.939 3.706 4.168 . 0 0 "[ . 1 . 2]" 1
1155 1 31 TYR QD 1 38 GLN H . . 5.340 4.365 4.293 4.431 . 0 0 "[ . 1 . 2]" 1
1156 1 31 TYR HA 1 40 PHE HZ . . 5.290 4.529 4.322 4.813 . 0 0 "[ . 1 . 2]" 1
1157 1 31 TYR HA 1 85 PHE HB3 . . 4.800 4.687 4.608 4.758 . 0 0 "[ . 1 . 2]" 1
1158 1 77 ALA H 1 85 PHE HB2 . . 4.920 3.435 3.340 3.537 . 0 0 "[ . 1 . 2]" 1
1159 1 71 ASP HA 1 72 LEU QB . . 4.490 4.460 4.428 4.499 0.009 10 0 "[ . 1 . 2]" 1
1160 1 31 TYR HB3 1 87 VAL MG2 . . 5.380 5.170 4.980 5.351 . 0 0 "[ . 1 . 2]" 1
1161 1 26 TYR QD 1 92 LYS HB2 . . 4.710 3.818 1.996 4.675 . 0 0 "[ . 1 . 2]" 1
1162 1 25 THR HB 1 26 TYR QD . . 5.050 3.663 2.212 4.912 . 0 0 "[ . 1 . 2]" 1
1163 1 26 TYR QD 1 91 VAL HA . . 5.500 4.025 3.521 4.627 . 0 0 "[ . 1 . 2]" 1
1164 1 26 TYR H 1 26 TYR QD . . 4.300 2.698 1.887 3.093 . 0 0 "[ . 1 . 2]" 1
1165 1 26 TYR HA 1 26 TYR QD . . 4.160 3.697 3.665 3.742 . 0 0 "[ . 1 . 2]" 1
1166 1 22 TYR QD 1 23 ILE HG12 . . 4.370 3.672 3.028 4.366 . 0 0 "[ . 1 . 2]" 1
1167 1 22 TYR QD 1 23 ILE HG13 . . 4.370 2.715 2.010 3.764 . 0 0 "[ . 1 . 2]" 1
1168 1 22 TYR H 1 22 TYR QD . . 5.060 4.150 3.933 4.222 . 0 0 "[ . 1 . 2]" 1
1169 1 22 TYR QD 1 23 ILE H . . 4.830 3.657 2.864 4.205 . 0 0 "[ . 1 . 2]" 1
1170 1 22 TYR QD 1 23 ILE HA . . 4.950 3.680 2.509 4.406 . 0 0 "[ . 1 . 2]" 1
1171 1 31 TYR QE 1 63 ILE HG12 . . 5.050 5.022 4.691 5.065 0.015 8 0 "[ . 1 . 2]" 1
1172 1 31 TYR QE 1 85 PHE QD . . 4.770 4.572 4.403 4.722 . 0 0 "[ . 1 . 2]" 1
1173 1 63 ILE MG 1 85 PHE QE . . 4.620 2.571 2.350 2.775 . 0 0 "[ . 1 . 2]" 1
1174 1 78 THR H 1 85 PHE QE . . 5.500 5.538 5.515 5.574 0.074 20 0 "[ . 1 . 2]" 1
1175 1 44 THR HB 1 61 VAL MG1 . . 5.060 4.826 4.454 5.068 0.008 20 0 "[ . 1 . 2]" 1
1176 1 62 GLN HG3 1 65 ASN HA . . 5.500 5.452 5.007 5.515 0.015 15 0 "[ . 1 . 2]" 1
1177 1 28 GLU HB3 1 30 GLN HE21 . . 5.100 4.218 3.793 4.829 . 0 0 "[ . 1 . 2]" 1
1178 1 26 TYR HA 1 92 LYS HB2 . . 4.980 4.068 3.475 4.869 . 0 0 "[ . 1 . 2]" 1
1179 1 52 TRP HE3 1 53 LYS HB2 . . 4.360 4.182 3.965 4.383 0.023 17 0 "[ . 1 . 2]" 1
1180 1 53 LYS HB2 1 53 LYS QE . . 4.930 3.383 3.199 3.904 . 0 0 "[ . 1 . 2]" 1
1181 1 50 VAL MG2 1 53 LYS HB2 . . 5.500 5.403 5.196 5.533 0.033 11 0 "[ . 1 . 2]" 1
1182 1 31 TYR QD 1 38 GLN HB3 . . 4.840 4.812 4.721 4.855 0.015 9 0 "[ . 1 . 2]" 1
1183 1 31 TYR QD 1 38 GLN HB2 . . 4.870 4.104 4.004 4.185 . 0 0 "[ . 1 . 2]" 1
1184 1 52 TRP HA 1 72 LEU QB . . 3.980 3.316 3.108 3.667 . 0 0 "[ . 1 . 2]" 1
1185 1 29 TRP HB2 1 40 PHE HB2 . . 4.610 3.454 3.031 3.699 . 0 0 "[ . 1 . 2]" 1
1186 1 29 TRP HB2 1 40 PHE QE . . 5.250 4.973 4.619 5.252 0.002 11 0 "[ . 1 . 2]" 1
1187 1 77 ALA H 1 84 THR HA . . 4.880 4.696 4.640 4.798 . 0 0 "[ . 1 . 2]" 1
1188 1 84 THR HA 1 85 PHE HB2 . . 4.950 4.943 4.914 4.959 0.009 12 0 "[ . 1 . 2]" 1
1189 1 40 PHE HB2 1 45 ASN HA . . 4.200 2.847 2.629 3.227 . 0 0 "[ . 1 . 2]" 1
1190 1 48 LEU HA 1 72 LEU MD1 . . 5.170 4.859 4.492 5.111 . 0 0 "[ . 1 . 2]" 1
1191 1 83 GLN HA 1 84 THR HA . . 4.640 4.423 4.408 4.436 . 0 0 "[ . 1 . 2]" 1
1192 1 68 PHE QE 1 83 GLN HA . . 5.060 4.468 4.322 4.593 . 0 0 "[ . 1 . 2]" 1
1193 1 68 PHE HZ 1 83 GLN HA . . 5.500 4.929 4.827 4.977 . 0 0 "[ . 1 . 2]" 1
1194 1 92 LYS H 1 92 LYS HG3 . . 4.040 3.669 3.263 4.025 . 0 0 "[ . 1 . 2]" 1
1195 1 92 LYS H 1 92 LYS HG2 . . 4.040 2.574 2.033 3.696 . 0 0 "[ . 1 . 2]" 1
1196 1 31 TYR HB2 1 85 PHE HA . . 5.470 5.183 5.131 5.212 . 0 0 "[ . 1 . 2]" 1
1197 1 85 PHE HA 1 86 THR MG . . 5.500 5.468 5.444 5.486 . 0 0 "[ . 1 . 2]" 1
1198 1 74 THR MG 1 75 ASN HA . . 4.590 3.910 3.729 4.035 . 0 0 "[ . 1 . 2]" 1
1199 1 75 ASN HA 1 76 THR HA . . 5.010 4.367 4.356 4.383 . 0 0 "[ . 1 . 2]" 1
1200 1 23 ILE HG13 1 26 TYR QE . . 4.790 4.406 4.020 4.800 0.010 8 0 "[ . 1 . 2]" 1
1201 1 23 ILE HG12 1 26 TYR QE . . 4.790 3.859 3.223 4.393 . 0 0 "[ . 1 . 2]" 1
1202 1 29 TRP HB3 1 87 VAL MG1 . . 4.740 4.216 3.912 4.371 . 0 0 "[ . 1 . 2]" 1
1203 1 85 PHE HB3 1 87 VAL MG1 . . 5.250 5.062 4.970 5.152 . 0 0 "[ . 1 . 2]" 1
1204 1 75 ASN HA 1 87 VAL MG1 . . 5.120 4.540 4.440 4.656 . 0 0 "[ . 1 . 2]" 1
1205 1 32 ILE H 1 87 VAL MG1 . . 4.510 4.290 4.145 4.343 . 0 0 "[ . 1 . 2]" 1
1206 1 59 THR H 1 70 VAL MG2 . . 4.950 4.498 4.274 4.609 . 0 0 "[ . 1 . 2]" 1
1207 1 70 VAL MG1 1 71 ASP HA . . 4.660 3.963 3.851 4.181 . 0 0 "[ . 1 . 2]" 1
1208 1 71 ASP HA 1 72 LEU MD1 . . 4.930 4.698 4.594 4.783 . 0 0 "[ . 1 . 2]" 1
1209 1 46 MET ME 1 47 LYS H . . 4.730 3.829 3.673 4.016 . 0 0 "[ . 1 . 2]" 1
1210 1 36 ILE MG 1 37 THR HB . . 4.290 4.163 4.118 4.229 . 0 0 "[ . 1 . 2]" 1
1211 1 63 ILE MG 1 64 HIS HA . . 5.350 3.931 3.792 4.069 . 0 0 "[ . 1 . 2]" 1
1212 1 63 ILE MG 1 66 GLN QB . . 5.500 5.376 5.206 5.515 0.015 4 0 "[ . 1 . 2]" 1
1213 1 63 ILE MG 1 66 GLN H . . 5.500 4.645 4.427 4.748 . 0 0 "[ . 1 . 2]" 1
1214 1 36 ILE MG 1 38 GLN QG . . 3.770 2.097 1.947 2.297 . 0 0 "[ . 1 . 2]" 1
1215 1 33 ASP HB3 1 38 GLN QG . . 4.510 4.191 3.919 4.477 . 0 0 "[ . 1 . 2]" 1
1216 1 33 ASP HB2 1 36 ILE MG . . 5.340 4.190 4.047 4.467 . 0 0 "[ . 1 . 2]" 1
1217 1 33 ASP HB2 1 36 ILE MD . . 5.500 3.999 3.672 4.282 . 0 0 "[ . 1 . 2]" 1
1218 1 33 ASP HB2 1 36 ILE HB . . 4.430 3.262 3.068 3.414 . 0 0 "[ . 1 . 2]" 1
1219 1 26 TYR HA 1 27 VAL HB . . 4.740 4.665 4.613 4.724 . 0 0 "[ . 1 . 2]" 1
1220 1 26 TYR HA 1 92 LYS H . . 5.450 4.965 4.070 5.438 . 0 0 "[ . 1 . 2]" 1
1221 1 61 VAL HB 1 63 ILE MD . . 5.170 4.165 3.981 4.261 . 0 0 "[ . 1 . 2]" 1
1222 1 61 VAL H 1 63 ILE MD . . 5.450 4.564 4.366 4.857 . 0 0 "[ . 1 . 2]" 1
1223 1 63 ILE MD 1 78 THR H . . 5.500 5.147 5.024 5.302 . 0 0 "[ . 1 . 2]" 1
1224 1 63 ILE MD 1 85 PHE H . . 5.500 5.423 5.264 5.512 0.012 6 0 "[ . 1 . 2]" 1
1225 1 79 ALA MB 1 82 GLY HA3 . . 5.500 5.537 5.497 5.559 0.059 19 0 "[ . 1 . 2]" 1
1226 1 46 MET HG3 1 50 VAL MG2 . . 4.260 3.388 2.950 3.760 . 0 0 "[ . 1 . 2]" 1
1227 1 46 MET HG3 1 50 VAL MG1 . . 4.690 2.540 2.366 2.674 . 0 0 "[ . 1 . 2]" 1
1228 1 46 MET HG3 1 47 LYS H . . 4.890 2.810 2.647 3.003 . 0 0 "[ . 1 . 2]" 1
1229 1 31 TYR HA 1 88 GLN QG . . 5.380 4.056 3.753 4.920 . 0 0 "[ . 1 . 2]" 1
1230 1 31 TYR HB2 1 86 THR HA . . 5.500 5.431 5.312 5.489 . 0 0 "[ . 1 . 2]" 1
1231 1 75 ASN HB3 1 86 THR HA . . 5.370 5.366 5.342 5.383 0.013 1 0 "[ . 1 . 2]" 1
1232 1 86 THR HA 1 87 VAL HA . . 4.390 4.388 4.385 4.389 . 0 0 "[ . 1 . 2]" 1
1233 1 85 PHE HA 1 86 THR HA . . 4.830 4.429 4.415 4.446 . 0 0 "[ . 1 . 2]" 1
1234 1 32 ILE HG12 1 86 THR HB . . 4.110 3.964 3.801 4.069 . 0 0 "[ . 1 . 2]" 1
1235 1 85 PHE HA 1 86 THR HB . . 5.030 4.721 4.448 4.811 . 0 0 "[ . 1 . 2]" 1
1236 1 31 TYR HA 1 86 THR HB . . 5.460 4.928 4.798 5.079 . 0 0 "[ . 1 . 2]" 1
1237 1 86 THR HB 1 87 VAL HA . . 5.500 4.940 4.874 5.180 . 0 0 "[ . 1 . 2]" 1
1238 1 32 ILE H 1 86 THR HB . . 4.730 3.303 3.236 3.407 . 0 0 "[ . 1 . 2]" 1
1239 1 90 LEU H 1 90 LEU HG . . 4.160 3.416 3.074 3.906 . 0 0 "[ . 1 . 2]" 1
1240 1 90 LEU HG 1 91 VAL H . . 4.910 4.730 4.611 4.948 0.038 8 0 "[ . 1 . 2]" 1
1241 1 88 GLN QG 1 90 LEU HG . . 3.840 3.381 2.962 3.838 . 0 0 "[ . 1 . 2]" 1
1242 1 90 LEU MD1 1 91 VAL H . . 4.970 4.915 4.073 4.993 0.023 5 0 "[ . 1 . 2]" 1
1243 1 89 ARG H 1 90 LEU MD1 . . 5.500 3.845 3.446 4.345 . 0 0 "[ . 1 . 2]" 1
1244 1 90 LEU MD1 1 92 LYS QE . . 4.510 4.349 4.014 4.515 0.005 5 0 "[ . 1 . 2]" 1
1245 1 88 GLN QG 1 90 LEU MD2 . . 3.580 3.117 2.616 3.472 . 0 0 "[ . 1 . 2]" 1
1246 1 90 LEU HB2 1 90 LEU MD2 . . 3.230 2.629 2.179 2.721 . 0 0 "[ . 1 . 2]" 1
1247 1 30 GLN HG3 1 90 LEU MD2 . . 4.150 3.795 1.998 4.153 0.003 5 0 "[ . 1 . 2]" 1
1248 1 89 ARG H 1 90 LEU MD2 . . 5.500 5.421 4.070 5.519 0.019 16 0 "[ . 1 . 2]" 1
1249 1 88 GLN HE21 1 90 LEU MD1 . . 5.360 3.622 3.152 3.989 . 0 0 "[ . 1 . 2]" 1
1250 1 50 VAL HA 1 53 LYS HG2 . . 4.790 4.348 3.824 4.541 . 0 0 "[ . 1 . 2]" 1
1251 1 46 MET HB3 1 46 MET HG2 . . 2.850 2.479 2.448 2.520 . 0 0 "[ . 1 . 2]" 1
1252 1 50 VAL HB 1 51 ALA HA . . 4.400 4.358 4.295 4.410 0.010 3 0 "[ . 1 . 2]" 1
1253 1 47 LYS H 1 50 VAL MG1 . . 4.760 4.212 3.976 4.470 . 0 0 "[ . 1 . 2]" 1
1254 1 49 GLU H 1 50 VAL MG1 . . 5.270 4.433 4.199 4.648 . 0 0 "[ . 1 . 2]" 1
1255 1 50 VAL H 1 50 VAL MG1 . . 3.320 2.384 2.275 2.524 . 0 0 "[ . 1 . 2]" 1
1256 1 50 VAL MG2 1 54 ALA MB . . 4.400 4.295 4.054 4.421 0.021 11 0 "[ . 1 . 2]" 1
1257 1 50 VAL MG2 1 51 ALA HA . . 3.920 3.374 3.163 3.676 . 0 0 "[ . 1 . 2]" 1
1258 1 49 GLU HA 1 51 ALA H . . 4.810 4.337 4.051 4.686 . 0 0 "[ . 1 . 2]" 1
1259 1 47 LYS QB 1 48 LEU HA . . 4.830 4.022 3.953 4.058 . 0 0 "[ . 1 . 2]" 1
1260 1 48 LEU HA 1 52 TRP H . . 4.780 4.499 4.288 4.683 . 0 0 "[ . 1 . 2]" 1
1261 1 29 TRP HD1 1 48 LEU HB2 . . 4.910 4.102 3.928 4.282 . 0 0 "[ . 1 . 2]" 1
1262 1 45 ASN HA 1 48 LEU HB3 . . 5.500 5.399 5.082 5.518 0.018 6 0 "[ . 1 . 2]" 1
1263 1 48 LEU HG 1 70 VAL HB . . 5.500 5.473 5.354 5.520 0.020 15 0 "[ . 1 . 2]" 1
1264 1 47 LYS HA 1 51 ALA H . . 4.870 4.745 4.492 4.872 0.002 1 0 "[ . 1 . 2]" 1
1265 1 57 LYS QB 1 57 LYS QE . . 4.200 3.067 2.056 3.794 . 0 0 "[ . 1 . 2]" 1
1266 1 44 THR MG 1 47 LYS HD3 . . 4.750 4.317 3.735 4.726 . 0 0 "[ . 1 . 2]" 1
1267 1 44 THR MG 1 47 LYS HD2 . . 4.750 3.278 2.505 4.621 . 0 0 "[ . 1 . 2]" 1
1268 1 44 THR HA 1 47 LYS HD2 . . 4.460 2.680 2.190 4.121 . 0 0 "[ . 1 . 2]" 1
1269 1 47 LYS HA 1 47 LYS HD2 . . 4.940 4.541 4.117 4.777 . 0 0 "[ . 1 . 2]" 1
1270 1 47 LYS HA 1 47 LYS HD3 . . 4.940 4.213 3.985 4.580 . 0 0 "[ . 1 . 2]" 1
1271 1 47 LYS HE3 1 61 VAL MG1 . . 5.500 4.740 2.441 5.505 0.005 10 0 "[ . 1 . 2]" 1
1272 1 47 LYS HE3 1 47 LYS HG2 . . 4.000 3.433 2.193 3.905 . 0 0 "[ . 1 . 2]" 1
1273 1 47 LYS HE2 1 47 LYS HG2 . . 4.000 2.988 2.316 3.712 . 0 0 "[ . 1 . 2]" 1
1274 1 47 LYS HE2 1 61 VAL MG1 . . 5.500 5.042 3.890 5.502 0.002 16 0 "[ . 1 . 2]" 1
1275 1 43 MET H 1 46 MET ME . . 5.000 4.293 4.051 4.417 . 0 0 "[ . 1 . 2]" 1
1276 1 46 MET ME 1 47 LYS HA . . 5.480 5.310 5.171 5.441 . 0 0 "[ . 1 . 2]" 1
1277 1 46 MET HA 1 46 MET ME . . 4.650 4.607 4.478 4.650 . 0 0 "[ . 1 . 2]" 1
1278 1 45 ASN HA 1 47 LYS H . . 5.160 4.628 4.497 4.741 . 0 0 "[ . 1 . 2]" 1
1279 1 45 ASN HA 1 49 GLU H . . 5.500 4.684 4.329 5.024 . 0 0 "[ . 1 . 2]" 1
1280 1 45 ASN HA 1 48 LEU HG . . 4.970 4.119 3.967 4.322 . 0 0 "[ . 1 . 2]" 1
1281 1 44 THR MG 1 47 LYS H . . 5.070 3.901 3.757 4.110 . 0 0 "[ . 1 . 2]" 1
1282 1 44 THR MG 1 48 LEU H . . 4.810 3.761 3.383 4.109 . 0 0 "[ . 1 . 2]" 1
1283 1 41 ASP H 1 44 THR MG . . 4.740 3.663 3.341 4.029 . 0 0 "[ . 1 . 2]" 1
1284 1 43 MET HB2 1 44 THR H . . 4.020 2.887 2.468 3.713 . 0 0 "[ . 1 . 2]" 1
1285 1 43 MET HB3 1 44 THR H . . 4.020 3.681 3.340 4.003 . 0 0 "[ . 1 . 2]" 1
1286 1 43 MET H 1 43 MET HB3 . . 3.930 3.381 2.600 3.646 . 0 0 "[ . 1 . 2]" 1
1287 1 42 LYS HA 1 42 LYS QD . . 4.400 4.233 3.668 4.403 0.003 9 0 "[ . 1 . 2]" 1
1288 1 41 ASP H 1 41 ASP HB2 . . 3.760 2.638 2.181 3.548 . 0 0 "[ . 1 . 2]" 1
1289 1 41 ASP HB3 1 42 LYS H . . 4.320 2.614 2.033 3.871 . 0 0 "[ . 1 . 2]" 1
1290 1 40 PHE HA 1 40 PHE QE . . 4.910 4.526 4.349 4.627 . 0 0 "[ . 1 . 2]" 1
1291 1 40 PHE QE 1 63 ILE MG . . 5.500 3.767 3.459 4.337 . 0 0 "[ . 1 . 2]" 1
1292 1 63 ILE MG 1 68 PHE QD . . 5.500 3.965 3.752 4.116 . 0 0 "[ . 1 . 2]" 1
1293 1 68 PHE QD 1 83 GLN QB . . 5.500 4.417 4.237 4.551 . 0 0 "[ . 1 . 2]" 1
1294 1 31 TYR HB2 1 40 PHE HZ . . 4.020 3.372 3.174 3.577 . 0 0 "[ . 1 . 2]" 1
1295 1 30 GLN HA 1 39 CYS HB3 . . 5.040 3.596 3.218 3.842 . 0 0 "[ . 1 . 2]" 1
1296 1 28 GLU HG2 1 39 CYS HB3 . . 5.360 5.191 3.895 5.371 0.011 7 0 "[ . 1 . 2]" 1
1297 1 30 GLN HG2 1 39 CYS HB3 . . 4.650 2.171 2.012 2.319 . 0 0 "[ . 1 . 2]" 1
1298 1 28 GLU HG3 1 39 CYS HB3 . . 5.360 4.832 3.587 5.369 0.009 16 0 "[ . 1 . 2]" 1
1299 1 28 GLU HG2 1 39 CYS HB2 . . 5.360 4.970 4.370 5.368 0.008 12 0 "[ . 1 . 2]" 1
1300 1 30 GLN HG2 1 39 CYS HB2 . . 4.650 2.213 1.995 3.870 . 0 0 "[ . 1 . 2]" 1
1301 1 28 GLU HG3 1 39 CYS HB2 . . 5.360 4.232 3.749 5.381 0.021 18 0 "[ . 1 . 2]" 1
1302 1 37 THR HA 1 38 GLN QG . . 4.500 4.182 4.050 4.392 . 0 0 "[ . 1 . 2]" 1
1303 1 32 ILE HB 1 37 THR HA . . 5.340 5.182 5.162 5.202 . 0 0 "[ . 1 . 2]" 1
1304 1 37 THR HA 1 38 GLN HB2 . . 4.840 4.656 4.597 4.722 . 0 0 "[ . 1 . 2]" 1
1305 1 35 ASN QB 1 36 ILE HA . . 5.290 4.552 4.462 4.690 . 0 0 "[ . 1 . 2]" 1
1306 1 35 ASN QB 1 36 ILE HB . . 5.280 5.196 5.059 5.282 0.002 13 0 "[ . 1 . 2]" 1
1307 1 33 ASP HB3 1 36 ILE MG . . 4.420 3.507 3.294 3.670 . 0 0 "[ . 1 . 2]" 1
1308 1 34 LYS HB3 1 35 ASN HA . . 4.830 4.645 4.618 4.671 . 0 0 "[ . 1 . 2]" 1
1309 1 34 LYS HB2 1 35 ASN HA . . 4.840 4.550 4.534 4.570 . 0 0 "[ . 1 . 2]" 1
1310 1 34 LYS HA 1 35 ASN HA . . 5.250 4.549 4.547 4.552 . 0 0 "[ . 1 . 2]" 1
1311 1 34 LYS HA 1 35 ASN QB . . 4.880 4.759 4.742 4.778 . 0 0 "[ . 1 . 2]" 1
1312 1 34 LYS HA 1 36 ILE H . . 4.890 4.518 4.490 4.537 . 0 0 "[ . 1 . 2]" 1
1313 1 34 LYS HB3 1 34 LYS QE . . 4.610 2.884 1.998 4.001 . 0 0 "[ . 1 . 2]" 1
1314 1 34 LYS HB3 1 36 ILE H . . 5.060 4.994 4.953 5.030 . 0 0 "[ . 1 . 2]" 1
1315 1 34 LYS HB2 1 34 LYS QE . . 4.550 3.482 2.205 4.437 . 0 0 "[ . 1 . 2]" 1
1316 1 34 LYS HG3 1 35 ASN H . . 4.870 4.086 3.985 4.210 . 0 0 "[ . 1 . 2]" 1
1317 1 33 ASP HA 1 34 LYS HG2 . . 5.500 4.620 4.059 5.370 . 0 0 "[ . 1 . 2]" 1
1318 1 33 ASP HA 1 34 LYS HG3 . . 5.500 4.828 4.141 5.547 0.047 3 0 "[ . 1 . 2]" 1
1319 1 31 TYR QD 1 33 ASP HA . . 4.950 3.492 3.319 3.589 . 0 0 "[ . 1 . 2]" 1
1320 1 33 ASP HA 1 85 PHE HA . . 5.410 3.935 3.776 4.158 . 0 0 "[ . 1 . 2]" 1
1321 1 32 ILE HA 1 33 ASP HB3 . . 5.200 4.673 4.543 4.866 . 0 0 "[ . 1 . 2]" 1
1322 1 32 ILE HA 1 33 ASP HA . . 4.780 4.425 4.419 4.432 . 0 0 "[ . 1 . 2]" 1
1323 1 31 TYR HA 1 32 ILE HA . . 4.850 4.363 4.360 4.367 . 0 0 "[ . 1 . 2]" 1
1324 1 32 ILE MG 1 34 LYS H . . 5.020 4.853 4.805 4.884 . 0 0 "[ . 1 . 2]" 1
1325 1 30 GLN H 1 32 ILE MD . . 5.500 5.359 5.229 5.461 . 0 0 "[ . 1 . 2]" 1
1326 1 32 ILE MD 1 37 THR HB . . 5.500 5.502 5.482 5.532 0.032 13 0 "[ . 1 . 2]" 1
1327 1 31 TYR QD 1 37 THR MG . . 5.500 5.471 5.422 5.515 0.015 18 0 "[ . 1 . 2]" 1
1328 1 31 TYR QD 1 44 THR MG . . 5.500 5.482 5.360 5.507 0.007 6 0 "[ . 1 . 2]" 1
1329 1 31 TYR QD 1 40 PHE HA . . 4.360 3.682 3.353 3.935 . 0 0 "[ . 1 . 2]" 1
1330 1 31 TYR QE 1 64 HIS HE1 . . 5.400 4.175 3.568 5.195 . 0 0 "[ . 1 . 2]" 1
1331 1 31 TYR QE 1 33 ASP H . . 5.500 4.463 4.217 4.682 . 0 0 "[ . 1 . 2]" 1
1332 1 31 TYR QE 1 38 GLN H . . 5.500 4.284 4.167 4.374 . 0 0 "[ . 1 . 2]" 1
1333 1 31 TYR QE 1 41 ASP H . . 5.500 5.309 4.996 5.507 0.007 13 0 "[ . 1 . 2]" 1
1334 1 31 TYR QE 1 40 PHE HB3 . . 5.500 5.286 5.092 5.492 . 0 0 "[ . 1 . 2]" 1
1335 1 30 GLN HA 1 37 THR MG . . 5.500 5.474 5.413 5.539 0.039 12 0 "[ . 1 . 2]" 1
1336 1 30 GLN HA 1 39 CYS HB2 . . 5.040 3.310 2.969 4.596 . 0 0 "[ . 1 . 2]" 1
1337 1 30 GLN HA 1 31 TYR QD . . 4.010 3.150 3.027 3.334 . 0 0 "[ . 1 . 2]" 1
1338 1 30 GLN HA 1 31 TYR HA . . 4.920 4.404 4.395 4.419 . 0 0 "[ . 1 . 2]" 1
1339 1 30 GLN HA 1 40 PHE QE . . 4.960 3.845 3.593 4.125 . 0 0 "[ . 1 . 2]" 1
1340 1 30 GLN HG2 1 37 THR MG . . 5.500 5.490 5.390 5.524 0.024 15 0 "[ . 1 . 2]" 1
1341 1 29 TRP HA 1 89 ARG HB2 . . 5.370 5.267 5.012 5.376 0.006 2 0 "[ . 1 . 2]" 1
1342 1 29 TRP HA 1 30 GLN HB2 . . 4.910 4.694 4.559 4.870 . 0 0 "[ . 1 . 2]" 1
1343 1 29 TRP HA 1 88 GLN QG . . 5.500 4.266 3.904 4.505 . 0 0 "[ . 1 . 2]" 1
1344 1 29 TRP HB3 1 48 LEU HB2 . . 4.860 3.353 3.133 3.605 . 0 0 "[ . 1 . 2]" 1
1345 1 27 VAL HB 1 29 TRP HD1 . . 5.500 4.832 4.598 5.263 . 0 0 "[ . 1 . 2]" 1
1346 1 29 TRP HE3 1 48 LEU HB2 . . 5.360 3.652 3.388 3.851 . 0 0 "[ . 1 . 2]" 1
1347 1 29 TRP HE3 1 48 LEU HG . . 5.310 4.940 4.689 5.161 . 0 0 "[ . 1 . 2]" 1
1348 1 29 TRP HZ2 1 89 ARG HB2 . . 4.770 3.896 3.674 4.093 . 0 0 "[ . 1 . 2]" 1
1349 1 29 TRP HZ2 1 89 ARG HG2 . . 4.960 4.438 4.126 4.640 . 0 0 "[ . 1 . 2]" 1
1350 1 29 TRP HZ2 1 52 TRP HA . . 4.980 4.824 4.706 4.982 0.002 19 0 "[ . 1 . 2]" 1
1351 1 29 TRP HZ2 1 49 GLU H . . 4.780 4.346 4.177 4.518 . 0 0 "[ . 1 . 2]" 1
1352 1 29 TRP HZ2 1 52 TRP H . . 4.160 4.038 3.905 4.182 0.022 18 0 "[ . 1 . 2]" 1
1353 1 29 TRP HZ3 1 72 LEU QB . . 5.500 4.891 4.697 5.143 . 0 0 "[ . 1 . 2]" 1
1354 1 29 TRP HZ3 1 49 GLU HA . . 5.500 5.498 5.472 5.512 0.012 8 0 "[ . 1 . 2]" 1
1355 1 29 TRP HH2 1 89 ARG HB2 . . 4.890 3.708 3.477 3.906 . 0 0 "[ . 1 . 2]" 1
1356 1 29 TRP HH2 1 48 LEU MD1 . . 5.500 5.351 5.203 5.505 0.005 13 0 "[ . 1 . 2]" 1
1357 1 29 TRP HH2 1 70 VAL MG1 . . 5.260 5.074 4.962 5.187 . 0 0 "[ . 1 . 2]" 1
1358 1 29 TRP HH2 1 87 VAL HB . . 5.330 5.320 5.268 5.359 0.029 15 0 "[ . 1 . 2]" 1
1359 1 29 TRP HH2 1 89 ARG HA . . 5.480 5.470 5.353 5.514 0.034 8 0 "[ . 1 . 2]" 1
1360 1 28 GLU HA 1 29 TRP HB2 . . 4.990 4.386 4.292 4.473 . 0 0 "[ . 1 . 2]" 1
1361 1 28 GLU HA 1 29 TRP HD1 . . 5.230 3.611 3.346 3.862 . 0 0 "[ . 1 . 2]" 1
1362 1 28 GLU HB3 1 90 LEU H . . 4.960 3.707 3.359 4.246 . 0 0 "[ . 1 . 2]" 1
1363 1 28 GLU HB3 1 30 GLN H . . 5.500 5.492 5.405 5.515 0.015 18 0 "[ . 1 . 2]" 1
1364 1 28 GLU HG2 1 90 LEU HB2 . . 5.130 4.097 3.499 4.794 . 0 0 "[ . 1 . 2]" 1
1365 1 28 GLU HG2 1 92 LYS QD . . 5.500 4.063 3.048 5.494 . 0 0 "[ . 1 . 2]" 1
1366 1 28 GLU HG3 1 90 LEU HB2 . . 5.130 4.647 3.978 5.138 0.008 18 0 "[ . 1 . 2]" 1
1367 1 28 GLU HG3 1 92 LYS QD . . 5.500 4.968 3.953 5.511 0.011 15 0 "[ . 1 . 2]" 1
1368 1 22 TYR HA 1 22 TYR QE . . 5.040 4.641 4.326 4.854 . 0 0 "[ . 1 . 2]" 1
1369 1 19 GLN HA 1 22 TYR QD . . 5.020 3.939 3.228 4.602 . 0 0 "[ . 1 . 2]" 1
1370 1 19 GLN HA 1 20 ALA MB . . 5.500 4.977 4.913 5.049 . 0 0 "[ . 1 . 2]" 1
1371 1 19 GLN QB 1 20 ALA MB . . 4.890 4.336 3.807 4.765 . 0 0 "[ . 1 . 2]" 1
1372 1 51 ALA HA 1 72 LEU MD1 . . 4.280 3.519 3.341 3.716 . 0 0 "[ . 1 . 2]" 1
1373 1 51 ALA MB 1 56 LYS QE . . 4.800 4.036 2.691 4.698 . 0 0 "[ . 1 . 2]" 1
1374 1 51 ALA MB 1 52 TRP HB2 . . 4.660 4.047 3.943 4.140 . 0 0 "[ . 1 . 2]" 1
1375 1 50 VAL HB 1 51 ALA MB . . 4.850 4.652 4.542 4.749 . 0 0 "[ . 1 . 2]" 1
1376 1 29 TRP HE1 1 52 TRP HB2 . . 5.500 5.108 4.966 5.212 . 0 0 "[ . 1 . 2]" 1
1377 1 52 TRP HB3 1 72 LEU MD1 . . 4.660 4.263 4.125 4.381 . 0 0 "[ . 1 . 2]" 1
1378 1 51 ALA MB 1 52 TRP HB3 . . 5.500 4.804 4.705 4.891 . 0 0 "[ . 1 . 2]" 1
1379 1 52 TRP HB3 1 53 LYS HG3 . . 5.320 4.704 4.592 4.908 . 0 0 "[ . 1 . 2]" 1
1380 1 52 TRP HD1 1 72 LEU MD1 . . 4.320 4.098 3.940 4.271 . 0 0 "[ . 1 . 2]" 1
1381 1 52 TRP H 1 52 TRP HD1 . . 5.140 5.012 4.925 5.086 . 0 0 "[ . 1 . 2]" 1
1382 1 52 TRP HE3 1 72 LEU MD1 . . 5.500 5.518 5.491 5.547 0.047 18 0 "[ . 1 . 2]" 1
1383 1 52 TRP HE3 1 72 LEU MD2 . . 5.500 5.417 5.238 5.510 0.010 12 0 "[ . 1 . 2]" 1
1384 1 49 GLU HA 1 52 TRP HE3 . . 5.180 5.014 4.749 5.183 0.003 3 0 "[ . 1 . 2]" 1
1385 1 29 TRP HZ2 1 52 TRP HE3 . . 5.020 4.655 4.292 4.952 . 0 0 "[ . 1 . 2]" 1
1386 1 52 TRP H 1 52 TRP HE3 . . 4.820 4.633 4.521 4.742 . 0 0 "[ . 1 . 2]" 1
1387 1 52 TRP HZ2 1 89 ARG HD3 . . 5.460 4.351 4.012 4.866 . 0 0 "[ . 1 . 2]" 1
1388 1 52 TRP HZ2 1 89 ARG HD2 . . 5.460 5.298 5.090 5.464 0.004 15 0 "[ . 1 . 2]" 1
1389 1 52 TRP HZ2 1 89 ARG QH1 . . 4.810 4.381 3.314 4.813 0.003 11 0 "[ . 1 . 2]" 1
1390 1 52 TRP HZ3 1 53 LYS HG2 . . 4.460 4.071 3.665 4.447 . 0 0 "[ . 1 . 2]" 1
1391 1 52 TRP HZ3 1 53 LYS QD . . 4.050 2.643 2.090 3.998 . 0 0 "[ . 1 . 2]" 1
1392 1 53 LYS HA 1 55 LYS HG3 . . 5.420 4.998 4.574 5.254 . 0 0 "[ . 1 . 2]" 1
1393 1 53 LYS HA 1 55 LYS HG2 . . 5.420 5.044 4.708 5.359 . 0 0 "[ . 1 . 2]" 1
1394 1 53 LYS HA 1 54 ALA MB . . 5.210 5.001 4.978 5.022 . 0 0 "[ . 1 . 2]" 1
1395 1 52 TRP HA 1 53 LYS HA . . 4.780 4.682 4.647 4.744 . 0 0 "[ . 1 . 2]" 1
1396 1 52 TRP HZ3 1 53 LYS HA . . 4.890 3.145 2.864 3.421 . 0 0 "[ . 1 . 2]" 1
1397 1 52 TRP HZ3 1 53 LYS HG3 . . 5.500 5.220 4.934 5.529 0.029 20 0 "[ . 1 . 2]" 1
1398 1 53 LYS QD 1 54 ALA H . . 5.460 5.168 5.036 5.301 . 0 0 "[ . 1 . 2]" 1
1399 1 53 LYS QE 1 54 ALA H . . 5.500 5.420 5.071 5.525 0.025 2 0 "[ . 1 . 2]" 1
1400 1 23 ILE MD 1 53 LYS QE . . 5.500 3.804 2.902 5.143 . 0 0 "[ . 1 . 2]" 1
1401 1 53 LYS HA 1 54 ALA HA . . 4.750 4.705 4.681 4.737 . 0 0 "[ . 1 . 2]" 1
1402 1 53 LYS HB2 1 54 ALA HA . . 5.320 4.423 4.334 4.533 . 0 0 "[ . 1 . 2]" 1
1403 1 53 LYS HB2 1 54 ALA MB . . 4.260 3.971 3.852 4.079 . 0 0 "[ . 1 . 2]" 1
1404 1 55 LYS H 1 55 LYS HD2 . . 5.500 5.332 5.058 5.499 . 0 0 "[ . 1 . 2]" 1
1405 1 55 LYS H 1 55 LYS HD3 . . 5.500 5.323 5.130 5.451 . 0 0 "[ . 1 . 2]" 1
1406 1 55 LYS H 1 55 LYS QE . . 5.280 4.984 4.404 5.283 0.003 17 0 "[ . 1 . 2]" 1
1407 1 55 LYS HA 1 55 LYS QE . . 4.670 4.197 3.383 4.670 0.000 11 0 "[ . 1 . 2]" 1
1408 1 55 LYS HA 1 56 LYS HA . . 5.500 4.639 4.605 4.671 . 0 0 "[ . 1 . 2]" 1
1409 1 56 LYS HA 1 56 LYS QD . . 3.070 2.459 2.261 2.597 . 0 0 "[ . 1 . 2]" 1
1410 1 56 LYS HA 1 72 LEU MD1 . . 5.330 4.106 3.954 4.278 . 0 0 "[ . 1 . 2]" 1
1411 1 56 LYS HB2 1 56 LYS QE . . 4.520 4.112 3.315 4.446 . 0 0 "[ . 1 . 2]" 1
1412 1 55 LYS HA 1 56 LYS HB2 . . 5.190 5.117 5.016 5.198 0.008 20 0 "[ . 1 . 2]" 1
1413 1 88 GLN HE22 1 88 GLN QG . . 3.670 3.217 3.216 3.220 . 0 0 "[ . 1 . 2]" 1
1414 1 56 LYS HG3 1 57 LYS H . . 5.340 4.843 4.628 4.992 . 0 0 "[ . 1 . 2]" 1
1415 1 56 LYS HG2 1 57 LYS H . . 5.500 4.565 4.358 4.743 . 0 0 "[ . 1 . 2]" 1
1416 1 56 LYS QE 1 56 LYS HG3 . . 3.690 2.443 2.226 3.203 . 0 0 "[ . 1 . 2]" 1
1417 1 57 LYS HA 1 71 ASP HA . . 5.500 5.483 5.275 5.556 0.056 18 0 "[ . 1 . 2]" 1
1418 1 57 LYS HA 1 58 ASP HA . . 4.900 4.605 4.571 4.628 . 0 0 "[ . 1 . 2]" 1
1419 1 57 LYS HA 1 57 LYS QE . . 5.500 4.077 3.495 4.728 . 0 0 "[ . 1 . 2]" 1
1420 1 57 LYS HA 1 58 ASP HB3 . . 5.500 4.859 4.707 4.973 . 0 0 "[ . 1 . 2]" 1
1421 1 58 ASP HA 1 59 THR HA . . 4.740 4.423 4.393 4.444 . 0 0 "[ . 1 . 2]" 1
1422 1 58 ASP HA 1 59 THR HB . . 5.500 4.456 4.353 4.539 . 0 0 "[ . 1 . 2]" 1
1423 1 58 ASP HA 1 70 VAL H . . 5.380 5.132 4.918 5.249 . 0 0 "[ . 1 . 2]" 1
1424 1 58 ASP HA 1 73 SER H . . 5.500 4.612 4.357 4.699 . 0 0 "[ . 1 . 2]" 1
1425 1 58 ASP HA 1 71 ASP H . . 5.500 4.866 4.611 4.961 . 0 0 "[ . 1 . 2]" 1
1426 1 58 ASP HA 1 72 LEU MD2 . . 4.360 4.256 4.028 4.359 . 0 0 "[ . 1 . 2]" 1
1427 1 58 ASP HA 1 70 VAL MG1 . . 4.450 4.290 4.110 4.449 . 0 0 "[ . 1 . 2]" 1
1428 1 58 ASP HB3 1 70 VAL H . . 5.500 5.426 5.282 5.513 0.013 10 0 "[ . 1 . 2]" 1
1429 1 57 LYS QB 1 58 ASP HB3 . . 4.680 4.063 3.774 4.297 . 0 0 "[ . 1 . 2]" 1
1430 1 58 ASP HB3 1 72 LEU MD1 . . 5.050 4.967 4.799 5.065 0.015 12 0 "[ . 1 . 2]" 1
1431 1 58 ASP HB3 1 72 LEU HG . . 5.130 4.807 4.643 4.940 . 0 0 "[ . 1 . 2]" 1
1432 1 57 LYS QB 1 58 ASP HB2 . . 5.500 5.023 4.915 5.174 . 0 0 "[ . 1 . 2]" 1
1433 1 58 ASP HB2 1 70 VAL HB . . 5.500 4.914 4.587 5.143 . 0 0 "[ . 1 . 2]" 1
1434 1 58 ASP HB2 1 72 LEU HG . . 5.280 5.090 4.810 5.237 . 0 0 "[ . 1 . 2]" 1
1435 1 58 ASP HB2 1 59 THR MG . . 4.990 4.542 4.346 4.727 . 0 0 "[ . 1 . 2]" 1
1436 1 58 ASP HB2 1 59 THR HA . . 4.830 4.406 4.315 4.487 . 0 0 "[ . 1 . 2]" 1
1437 1 51 ALA MB 1 59 THR HA . . 4.180 3.764 3.600 4.060 . 0 0 "[ . 1 . 2]" 1
1438 1 59 THR MG 1 61 VAL H . . 5.360 4.864 4.674 5.050 . 0 0 "[ . 1 . 2]" 1
1439 1 51 ALA H 1 59 THR MG . . 4.890 4.019 3.814 4.286 . 0 0 "[ . 1 . 2]" 1
1440 1 60 VAL HA 1 68 PHE HB3 . . 5.420 5.207 5.113 5.268 . 0 0 "[ . 1 . 2]" 1
1441 1 76 THR HA 1 77 ALA HA . . 4.590 4.369 4.366 4.374 . 0 0 "[ . 1 . 2]" 1
1442 1 30 GLN HB2 1 39 CYS HA . . 4.330 4.067 3.774 4.297 . 0 0 "[ . 1 . 2]" 1
1443 1 40 PHE QD 1 61 VAL HB . . 5.430 4.475 3.962 4.930 . 0 0 "[ . 1 . 2]" 1
1444 1 40 PHE QD 1 61 VAL MG1 . . 5.500 4.620 4.127 4.927 . 0 0 "[ . 1 . 2]" 1
1445 1 40 PHE HZ 1 61 VAL MG1 . . 5.500 5.150 4.858 5.284 . 0 0 "[ . 1 . 2]" 1
1446 1 47 LYS HD2 1 61 VAL MG1 . . 4.320 3.106 2.435 4.307 . 0 0 "[ . 1 . 2]" 1
1447 1 61 VAL HA 1 61 VAL MG2 . . 3.490 3.189 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
1448 1 61 VAL MG2 1 63 ILE HG13 . . 3.400 1.981 1.941 2.122 . 0 0 "[ . 1 . 2]" 1
1449 1 60 VAL MG1 1 62 GLN HA . . 5.380 4.476 4.406 4.549 . 0 0 "[ . 1 . 2]" 1
1450 1 62 GLN HA 1 63 ILE HG13 . . 5.070 4.116 3.977 4.251 . 0 0 "[ . 1 . 2]" 1
1451 1 62 GLN HG2 1 65 ASN HA . . 5.500 5.094 4.929 5.529 0.029 16 0 "[ . 1 . 2]" 1
1452 1 62 GLN HA 1 63 ILE HA . . 5.040 4.395 4.390 4.400 . 0 0 "[ . 1 . 2]" 1
1453 1 63 ILE HB 1 66 GLN QG . . 4.780 3.754 3.664 3.916 . 0 0 "[ . 1 . 2]" 1
1454 1 62 GLN HA 1 63 ILE HB . . 4.970 4.640 4.584 4.702 . 0 0 "[ . 1 . 2]" 1
1455 1 63 ILE HG13 1 68 PHE HB2 . . 4.800 3.059 2.933 3.190 . 0 0 "[ . 1 . 2]" 1
1456 1 40 PHE HZ 1 63 ILE HG13 . . 5.410 4.959 4.569 5.359 . 0 0 "[ . 1 . 2]" 1
1457 1 63 ILE HG12 1 64 HIS H . . 5.500 4.333 4.129 4.453 . 0 0 "[ . 1 . 2]" 1
1458 1 40 PHE QD 1 63 ILE HG12 . . 5.000 3.513 3.235 3.905 . 0 0 "[ . 1 . 2]" 1
1459 1 40 PHE HZ 1 63 ILE HG12 . . 5.200 4.372 4.016 4.767 . 0 0 "[ . 1 . 2]" 1
1460 1 62 GLN HA 1 63 ILE HG12 . . 5.500 5.424 5.335 5.507 0.007 17 0 "[ . 1 . 2]" 1
1461 1 63 ILE HG12 1 68 PHE HB2 . . 5.380 4.514 4.386 4.646 . 0 0 "[ . 1 . 2]" 1
1462 1 61 VAL HB 1 63 ILE HG12 . . 5.500 4.468 4.291 4.654 . 0 0 "[ . 1 . 2]" 1
1463 1 64 HIS HB3 1 66 GLN HE22 . . 5.370 3.961 3.061 4.663 . 0 0 "[ . 1 . 2]" 1
1464 1 64 HIS H 1 64 HIS HD2 . . 5.280 2.272 2.120 2.646 . 0 0 "[ . 1 . 2]" 1
1465 1 63 ILE MD 1 64 HIS HD2 . . 5.500 4.813 4.596 5.375 . 0 0 "[ . 1 . 2]" 1
1466 1 63 ILE MG 1 64 HIS HE1 . . 5.500 4.300 3.593 5.088 . 0 0 "[ . 1 . 2]" 1
1467 1 63 ILE HB 1 66 GLN QB . . 5.500 5.257 5.162 5.365 . 0 0 "[ . 1 . 2]" 1
1468 1 64 HIS HB2 1 66 GLN QB . . 5.500 4.413 4.262 4.629 . 0 0 "[ . 1 . 2]" 1
1469 1 64 HIS HB3 1 66 GLN QB . . 5.500 5.169 4.874 5.355 . 0 0 "[ . 1 . 2]" 1
1470 1 62 GLN HB3 1 67 ASP HA . . 5.020 4.588 4.248 4.745 . 0 0 "[ . 1 . 2]" 1
1471 1 61 VAL MG2 1 67 ASP HA . . 5.290 4.828 4.605 5.084 . 0 0 "[ . 1 . 2]" 1
1472 1 68 PHE HA 1 77 ALA MB . . 5.100 4.977 4.888 5.106 0.006 6 0 "[ . 1 . 2]" 1
1473 1 67 ASP HA 1 68 PHE HA . . 5.050 4.402 4.399 4.406 . 0 0 "[ . 1 . 2]" 1
1474 1 68 PHE HA 1 69 THR HB . . 5.490 4.735 4.703 4.798 . 0 0 "[ . 1 . 2]" 1
1475 1 60 VAL MG2 1 68 PHE HB3 . . 5.500 5.518 5.501 5.561 0.061 9 0 "[ . 1 . 2]" 1
1476 1 68 PHE QE 1 78 THR HA . . 5.260 3.838 3.751 3.932 . 0 0 "[ . 1 . 2]" 1
1477 1 68 PHE QE 1 79 ALA H . . 5.100 3.836 3.745 4.011 . 0 0 "[ . 1 . 2]" 1
1478 1 63 ILE H 1 68 PHE QE . . 5.460 4.929 4.810 4.979 . 0 0 "[ . 1 . 2]" 1
1479 1 63 ILE MD 1 68 PHE QE . . 5.160 4.418 4.349 4.502 . 0 0 "[ . 1 . 2]" 1
1480 1 63 ILE MG 1 68 PHE HZ . . 5.440 4.694 4.475 4.926 . 0 0 "[ . 1 . 2]" 1
1481 1 63 ILE HB 1 68 PHE HZ . . 5.350 5.197 5.136 5.247 . 0 0 "[ . 1 . 2]" 1
1482 1 66 GLN QB 1 68 PHE HZ . . 4.690 4.534 4.431 4.653 . 0 0 "[ . 1 . 2]" 1
1483 1 68 PHE HZ 1 81 GLN HB2 . . 4.170 3.564 3.485 3.730 . 0 0 "[ . 1 . 2]" 1
1484 1 68 PHE HZ 1 83 GLN HG2 . . 4.520 4.056 3.804 4.527 0.007 14 0 "[ . 1 . 2]" 1
1485 1 61 VAL MG2 1 69 THR HA . . 5.100 4.620 4.416 4.843 . 0 0 "[ . 1 . 2]" 1
1486 1 68 PHE HB3 1 69 THR HA . . 5.480 4.405 4.281 4.485 . 0 0 "[ . 1 . 2]" 1
1487 1 58 ASP HB2 1 69 THR HA . . 5.230 4.448 4.297 4.559 . 0 0 "[ . 1 . 2]" 1
1488 1 68 PHE HB2 1 69 THR HA . . 5.500 5.286 5.195 5.338 . 0 0 "[ . 1 . 2]" 1
1489 1 59 THR H 1 69 THR HA . . 4.930 4.890 4.718 4.964 0.034 15 0 "[ . 1 . 2]" 1
1490 1 69 THR HB 1 70 VAL MG2 . . 5.380 5.333 5.260 5.390 0.010 20 0 "[ . 1 . 2]" 1
1491 1 60 VAL MG2 1 69 THR HB . . 4.750 4.308 4.197 4.461 . 0 0 "[ . 1 . 2]" 1
1492 1 58 ASP HB2 1 69 THR HB . . 5.500 5.083 4.717 5.261 . 0 0 "[ . 1 . 2]" 1
1493 1 69 THR HB 1 71 ASP HB2 . . 5.500 5.325 5.080 5.497 . 0 0 "[ . 1 . 2]" 1
1494 1 68 PHE HB3 1 69 THR HB . . 5.480 5.145 4.978 5.218 . 0 0 "[ . 1 . 2]" 1
1495 1 60 VAL HA 1 69 THR HB . . 5.500 5.452 5.336 5.523 0.023 8 0 "[ . 1 . 2]" 1
1496 1 69 THR HB 1 77 ALA HA . . 5.420 4.810 4.607 4.904 . 0 0 "[ . 1 . 2]" 1
1497 1 69 THR HB 1 70 VAL H . . 4.390 4.350 4.305 4.380 . 0 0 "[ . 1 . 2]" 1
1498 1 63 ILE MD 1 70 VAL MG2 . . 4.800 2.757 2.624 2.872 . 0 0 "[ . 1 . 2]" 1
1499 1 48 LEU HB3 1 70 VAL MG1 . . 5.500 3.841 3.652 4.019 . 0 0 "[ . 1 . 2]" 1
1500 1 48 LEU HA 1 70 VAL MG1 . . 5.130 4.475 4.283 4.714 . 0 0 "[ . 1 . 2]" 1
1501 1 58 ASP HB2 1 70 VAL MG1 . . 5.500 4.976 4.643 5.305 . 0 0 "[ . 1 . 2]" 1
1502 1 29 TRP HZ3 1 70 VAL MG1 . . 5.000 3.630 3.518 3.824 . 0 0 "[ . 1 . 2]" 1
1503 1 59 THR H 1 70 VAL MG1 . . 5.200 3.556 3.422 3.685 . 0 0 "[ . 1 . 2]" 1
1504 1 70 VAL MG1 1 71 ASP HB3 . . 5.420 4.796 4.716 4.892 . 0 0 "[ . 1 . 2]" 1
1505 1 71 ASP HB3 1 72 LEU H . . 4.790 4.055 3.981 4.142 . 0 0 "[ . 1 . 2]" 1
1506 1 29 TRP HH2 1 72 LEU HA . . 5.500 4.445 4.168 4.675 . 0 0 "[ . 1 . 2]" 1
1507 1 29 TRP HZ3 1 72 LEU HA . . 5.500 4.221 4.016 4.432 . 0 0 "[ . 1 . 2]" 1
1508 1 53 LYS H 1 72 LEU MD2 . . 5.500 4.762 4.581 5.006 . 0 0 "[ . 1 . 2]" 1
1509 1 72 LEU MD2 1 73 SER H . . 5.500 4.811 4.777 4.904 . 0 0 "[ . 1 . 2]" 1
1510 1 74 THR HB 1 76 THR HB . . 5.500 4.954 4.813 5.121 . 0 0 "[ . 1 . 2]" 1
1511 1 75 ASN HB3 1 87 VAL MG1 . . 4.790 4.754 4.679 4.804 0.014 8 0 "[ . 1 . 2]" 1
1512 1 75 ASN HB2 1 76 THR HA . . 5.500 4.716 4.687 4.734 . 0 0 "[ . 1 . 2]" 1
1513 1 75 ASN HB2 1 86 THR HA . . 5.500 4.920 4.823 4.964 . 0 0 "[ . 1 . 2]" 1
1514 1 74 THR MG 1 75 ASN HB2 . . 4.970 4.510 4.378 4.595 . 0 0 "[ . 1 . 2]" 1
1515 1 75 ASN HB2 1 87 VAL HB . . 5.500 5.385 5.160 5.489 . 0 0 "[ . 1 . 2]" 1
1516 1 76 THR HA 1 86 THR MG . . 4.320 3.505 3.370 3.721 . 0 0 "[ . 1 . 2]" 1
1517 1 75 ASN H 1 76 THR HB . . 4.870 4.761 4.693 4.818 . 0 0 "[ . 1 . 2]" 1
1518 1 70 VAL HB 1 77 ALA HA . . 5.120 4.906 4.772 5.053 . 0 0 "[ . 1 . 2]" 1
1519 1 68 PHE HB3 1 77 ALA HA . . 4.840 4.402 4.300 4.506 . 0 0 "[ . 1 . 2]" 1
1520 1 77 ALA HA 1 78 THR HB . . 4.940 4.638 4.479 4.711 . 0 0 "[ . 1 . 2]" 1
1521 1 68 PHE QD 1 77 ALA HA . . 4.810 4.426 4.346 4.482 . 0 0 "[ . 1 . 2]" 1
1522 1 77 ALA HA 1 87 VAL MG2 . . 4.960 4.482 4.401 4.530 . 0 0 "[ . 1 . 2]" 1
1523 1 61 VAL MG2 1 77 ALA HA . . 5.500 5.454 5.309 5.504 0.004 15 0 "[ . 1 . 2]" 1
1524 1 31 TYR QD 1 77 ALA MB . . 5.220 4.684 4.550 4.808 . 0 0 "[ . 1 . 2]" 1
1525 1 77 ALA MB 1 85 PHE HB2 . . 3.200 2.429 2.306 2.524 . 0 0 "[ . 1 . 2]" 1
1526 1 63 ILE MD 1 77 ALA MB . . 3.740 2.746 2.675 2.849 . 0 0 "[ . 1 . 2]" 1
1527 1 61 VAL MG2 1 77 ALA MB . . 3.840 3.840 3.711 3.889 0.049 2 0 "[ . 1 . 2]" 1
1528 1 68 PHE HB2 1 77 ALA MB . . 4.280 3.983 3.825 4.128 . 0 0 "[ . 1 . 2]" 1
1529 1 40 PHE HZ 1 77 ALA MB . . 5.030 3.672 3.525 3.800 . 0 0 "[ . 1 . 2]" 1
1530 1 78 THR HA 1 83 GLN QB . . 5.340 4.956 4.835 5.059 . 0 0 "[ . 1 . 2]" 1
1531 1 68 PHE HB3 1 78 THR HA . . 5.500 5.120 5.016 5.282 . 0 0 "[ . 1 . 2]" 1
1532 1 78 THR HA 1 79 ALA HA . . 4.580 4.448 4.434 4.487 . 0 0 "[ . 1 . 2]" 1
1533 1 77 ALA H 1 78 THR HA . . 5.410 5.296 5.236 5.320 . 0 0 "[ . 1 . 2]" 1
1534 1 68 PHE QD 1 79 ALA HA . . 4.880 4.329 4.288 4.430 . 0 0 "[ . 1 . 2]" 1
1535 1 78 THR MG 1 79 ALA HA . . 5.360 3.704 3.309 3.810 . 0 0 "[ . 1 . 2]" 1
1536 1 79 ALA HA 1 80 PRO HA . . 4.680 4.391 4.390 4.392 . 0 0 "[ . 1 . 2]" 1
1537 1 80 PRO HB2 1 81 GLN H . . 4.550 3.973 3.950 3.989 . 0 0 "[ . 1 . 2]" 1
1538 1 80 PRO HG2 1 81 GLN H . . 5.500 3.364 3.319 3.395 . 0 0 "[ . 1 . 2]" 1
1539 1 80 PRO HG3 1 81 GLN H . . 5.500 4.631 4.596 4.654 . 0 0 "[ . 1 . 2]" 1
1540 1 79 ALA MB 1 81 GLN HB3 . . 5.260 4.354 4.334 4.394 . 0 0 "[ . 1 . 2]" 1
1541 1 81 GLN HB2 1 83 GLN H . . 5.230 3.565 3.499 3.658 . 0 0 "[ . 1 . 2]" 1
1542 1 82 GLY HA3 1 83 GLN QB . . 5.310 4.960 4.857 5.007 . 0 0 "[ . 1 . 2]" 1
1543 1 79 ALA H 1 82 GLY HA2 . . 5.500 5.089 5.004 5.141 . 0 0 "[ . 1 . 2]" 1
1544 1 79 ALA MB 1 83 GLN HA . . 5.350 5.134 5.034 5.189 . 0 0 "[ . 1 . 2]" 1
1545 1 79 ALA H 1 83 GLN QB . . 4.600 4.396 4.303 4.549 . 0 0 "[ . 1 . 2]" 1
1546 1 83 GLN QB 1 85 PHE QE . . 4.350 2.767 2.528 2.936 . 0 0 "[ . 1 . 2]" 1
1547 1 83 GLN QB 1 84 THR HA . . 5.500 4.030 3.970 4.082 . 0 0 "[ . 1 . 2]" 1
1548 1 84 THR HA 1 85 PHE QE . . 4.430 4.395 4.310 4.440 0.010 2 0 "[ . 1 . 2]" 1
1549 1 79 ALA H 1 84 THR HB . . 5.500 5.313 5.203 5.438 . 0 0 "[ . 1 . 2]" 1
1550 1 77 ALA H 1 84 THR HB . . 5.330 4.637 4.512 4.760 . 0 0 "[ . 1 . 2]" 1
1551 1 83 GLN QB 1 84 THR MG . . 4.580 4.240 4.173 4.330 . 0 0 "[ . 1 . 2]" 1
1552 1 77 ALA MB 1 85 PHE HA . . 4.470 4.391 4.306 4.474 0.004 13 0 "[ . 1 . 2]" 1
1553 1 85 PHE HB3 1 86 THR HA . . 5.180 4.937 4.909 4.951 . 0 0 "[ . 1 . 2]" 1
1554 1 85 PHE HA 1 85 PHE QD . . 4.330 2.829 2.731 2.908 . 0 0 "[ . 1 . 2]" 1
1555 1 84 THR HA 1 85 PHE QD . . 5.500 4.029 3.932 4.097 . 0 0 "[ . 1 . 2]" 1
1556 1 31 TYR HB2 1 85 PHE QD . . 4.470 3.916 3.802 4.023 . 0 0 "[ . 1 . 2]" 1
1557 1 33 ASP HB2 1 85 PHE QD . . 4.890 4.252 3.931 4.608 . 0 0 "[ . 1 . 2]" 1
1558 1 83 GLN QB 1 85 PHE QD . . 5.500 4.270 4.163 4.340 . 0 0 "[ . 1 . 2]" 1
1559 1 77 ALA MB 1 85 PHE QD . . 4.000 1.904 1.873 1.944 . 0 0 "[ . 1 . 2]" 1
1560 1 61 VAL MG2 1 85 PHE QD . . 5.500 5.314 5.195 5.445 . 0 0 "[ . 1 . 2]" 1
1561 1 79 ALA MB 1 85 PHE QD . . 5.500 5.505 5.478 5.533 0.033 7 0 "[ . 1 . 2]" 1
1562 1 61 VAL MG2 1 85 PHE QE . . 5.500 5.374 5.243 5.488 . 0 0 "[ . 1 . 2]" 1
1563 1 79 ALA MB 1 85 PHE QE . . 5.500 4.171 4.137 4.221 . 0 0 "[ . 1 . 2]" 1
1564 1 78 THR H 1 85 PHE QD . . 5.500 5.063 5.016 5.128 . 0 0 "[ . 1 . 2]" 1
1565 1 85 PHE QD 1 86 THR H . . 5.500 4.298 4.274 4.309 . 0 0 "[ . 1 . 2]" 1
1566 1 63 ILE MD 1 85 PHE HZ . . 5.300 4.597 4.337 4.713 . 0 0 "[ . 1 . 2]" 1
1567 1 63 ILE MG 1 85 PHE HZ . . 4.680 3.273 2.997 3.507 . 0 0 "[ . 1 . 2]" 1
1568 1 79 ALA MB 1 85 PHE HZ . . 5.500 4.725 4.538 4.854 . 0 0 "[ . 1 . 2]" 1
1569 1 63 ILE HB 1 85 PHE HZ . . 5.360 4.744 4.457 4.939 . 0 0 "[ . 1 . 2]" 1
1570 1 77 ALA MB 1 85 PHE HZ . . 5.500 5.131 5.083 5.206 . 0 0 "[ . 1 . 2]" 1
1571 1 83 GLN QB 1 85 PHE HZ . . 5.500 2.490 2.334 2.591 . 0 0 "[ . 1 . 2]" 1
1572 1 83 GLN HG2 1 85 PHE HZ . . 4.670 3.705 3.537 4.013 . 0 0 "[ . 1 . 2]" 1
1573 1 31 TYR QE 1 85 PHE HZ . . 5.500 5.441 5.270 5.511 0.011 13 0 "[ . 1 . 2]" 1
1574 1 64 HIS HE1 1 85 PHE HZ . . 5.410 4.633 3.721 5.331 . 0 0 "[ . 1 . 2]" 1
1575 1 76 THR H 1 86 THR HA . . 5.500 4.795 4.725 4.916 . 0 0 "[ . 1 . 2]" 1
1576 1 31 TYR QD 1 87 VAL HA . . 5.500 5.291 5.202 5.392 . 0 0 "[ . 1 . 2]" 1
1577 1 40 PHE HZ 1 87 VAL HA . . 5.270 4.878 4.463 5.267 . 0 0 "[ . 1 . 2]" 1
1578 1 29 TRP HE3 1 87 VAL HA . . 5.500 4.616 4.524 4.695 . 0 0 "[ . 1 . 2]" 1
1579 1 75 ASN HA 1 87 VAL HB . . 4.920 4.459 4.334 4.577 . 0 0 "[ . 1 . 2]" 1
1580 1 87 VAL HB 1 88 GLN HA . . 4.960 4.321 4.222 4.366 . 0 0 "[ . 1 . 2]" 1
1581 1 30 GLN H 1 87 VAL HB . . 5.050 4.903 4.653 5.073 0.023 6 0 "[ . 1 . 2]" 1
1582 1 72 LEU QB 1 87 VAL MG2 . . 5.220 5.000 4.867 5.137 . 0 0 "[ . 1 . 2]" 1
1583 1 88 GLN HA 1 89 ARG HA . . 4.580 4.370 4.360 4.382 . 0 0 "[ . 1 . 2]" 1
1584 1 87 VAL HA 1 88 GLN HA . . 4.930 4.410 4.400 4.430 . 0 0 "[ . 1 . 2]" 1
1585 1 75 ASN HD22 1 88 GLN HA . . 5.500 5.506 5.456 5.529 0.029 12 0 "[ . 1 . 2]" 1
1586 1 87 VAL MG1 1 88 GLN HA . . 5.500 5.381 5.309 5.410 . 0 0 "[ . 1 . 2]" 1
1587 1 88 GLN HB2 1 88 GLN HE22 . . 5.010 4.897 4.831 5.157 0.147 13 0 "[ . 1 . 2]" 1
1588 1 29 TRP HE3 1 89 ARG HA . . 4.870 4.526 4.320 4.618 . 0 0 "[ . 1 . 2]" 1
1589 1 28 GLU H 1 89 ARG HA . . 5.430 4.784 4.607 4.989 . 0 0 "[ . 1 . 2]" 1
1590 1 88 GLN H 1 89 ARG HA . . 5.500 4.817 4.772 4.881 . 0 0 "[ . 1 . 2]" 1
1591 1 89 ARG HB3 1 89 ARG QH1 . . 4.740 3.479 2.931 4.427 . 0 0 "[ . 1 . 2]" 1
1592 1 29 TRP HE3 1 89 ARG HB2 . . 5.090 4.832 4.537 5.057 . 0 0 "[ . 1 . 2]" 1
1593 1 89 ARG HB2 1 89 ARG HE . . 5.500 4.412 4.191 4.638 . 0 0 "[ . 1 . 2]" 1
1594 1 89 ARG H 1 89 ARG HD2 . . 5.500 5.045 4.743 5.255 . 0 0 "[ . 1 . 2]" 1
1595 1 89 ARG HA 1 90 LEU HA . . 5.490 4.403 4.391 4.411 . 0 0 "[ . 1 . 2]" 1
1596 1 30 GLN HG3 1 90 LEU HG . . 5.500 5.318 3.715 5.504 0.004 20 0 "[ . 1 . 2]" 1
1597 1 89 ARG HA 1 90 LEU HG . . 5.240 4.242 3.935 5.289 0.049 8 0 "[ . 1 . 2]" 1
1598 1 27 VAL HB 1 91 VAL HA . . 4.710 4.576 4.407 4.744 0.034 16 0 "[ . 1 . 2]" 1
1599 1 91 VAL HA 1 92 LYS HB2 . . 5.010 4.626 4.439 4.832 . 0 0 "[ . 1 . 2]" 1
1600 1 91 VAL HA 1 91 VAL MG1 . . 3.480 2.828 2.255 3.202 . 0 0 "[ . 1 . 2]" 1
1601 1 95 GLY HA2 1 96 PRO QG . . 5.500 4.399 3.816 5.223 . 0 0 "[ . 1 . 2]" 1
1602 1 95 GLY HA3 1 96 PRO QG . . 5.500 4.246 3.781 5.166 . 0 0 "[ . 1 . 2]" 1
1603 1 50 VAL HA 1 54 ALA H . . 4.570 4.027 3.915 4.233 . 0 0 "[ . 1 . 2]" 1
1604 1 50 VAL HA 1 52 TRP H . . 5.060 4.298 4.165 4.456 . 0 0 "[ . 1 . 2]" 1
1605 1 50 VAL HA 1 51 ALA MB . . 5.330 5.020 4.990 5.045 . 0 0 "[ . 1 . 2]" 1
1606 1 46 MET HA 1 50 VAL MG1 . . 4.160 3.569 3.335 4.000 . 0 0 "[ . 1 . 2]" 1
1607 1 49 GLU HB3 1 50 VAL H . . 4.130 3.642 3.490 3.777 . 0 0 "[ . 1 . 2]" 1
1608 1 29 TRP HZ3 1 48 LEU HB2 . . 5.500 4.834 4.612 5.038 . 0 0 "[ . 1 . 2]" 1
1609 1 29 TRP HZ2 1 48 LEU HB2 . . 5.500 4.960 4.760 5.172 . 0 0 "[ . 1 . 2]" 1
1610 1 29 TRP HZ3 1 48 LEU HB3 . . 5.410 3.434 3.235 3.645 . 0 0 "[ . 1 . 2]" 1
1611 1 29 TRP HD1 1 48 LEU HB3 . . 5.500 5.302 5.054 5.475 . 0 0 "[ . 1 . 2]" 1
1612 1 47 LYS HA 1 61 VAL MG1 . . 5.230 4.738 4.456 5.075 . 0 0 "[ . 1 . 2]" 1
1613 1 47 LYS HG2 1 48 LEU H . . 5.120 5.078 4.880 5.148 0.028 11 0 "[ . 1 . 2]" 1
1614 1 47 LYS HG3 1 48 LEU H . . 4.950 4.674 4.515 4.777 . 0 0 "[ . 1 . 2]" 1
1615 1 44 THR MG 1 45 ASN QB . . 5.500 4.658 4.581 4.817 . 0 0 "[ . 1 . 2]" 1
1616 1 44 THR HB 1 45 ASN QB . . 4.950 4.387 4.202 4.446 . 0 0 "[ . 1 . 2]" 1
1617 1 41 ASP HA 1 42 LYS HB3 . . 4.700 4.608 4.504 4.665 . 0 0 "[ . 1 . 2]" 1
1618 1 41 ASP HA 1 42 LYS HA . . 5.070 4.310 4.297 4.317 . 0 0 "[ . 1 . 2]" 1
1619 1 41 ASP HB3 1 43 MET H . . 5.270 2.992 2.356 4.305 . 0 0 "[ . 1 . 2]" 1
1620 1 41 ASP HB2 1 43 MET H . . 5.270 3.190 2.335 4.407 . 0 0 "[ . 1 . 2]" 1
1621 1 40 PHE HA 1 45 ASN QB . . 5.500 5.437 5.116 5.520 0.020 14 0 "[ . 1 . 2]" 1
1622 1 30 GLN HE21 1 39 CYS HB2 . . 5.480 5.055 4.346 5.355 . 0 0 "[ . 1 . 2]" 1
1623 1 30 GLN HE21 1 39 CYS HB3 . . 5.480 4.498 3.433 4.909 . 0 0 "[ . 1 . 2]" 1
1624 1 37 THR HB 1 88 GLN HE22 . . 5.500 5.504 5.393 5.531 0.031 15 0 "[ . 1 . 2]" 1
1625 1 34 LYS HB3 1 35 ASN QB . . 5.250 3.640 3.598 3.703 . 0 0 "[ . 1 . 2]" 1
1626 1 34 LYS HB2 1 35 ASN QB . . 5.320 3.561 3.521 3.582 . 0 0 "[ . 1 . 2]" 1
1627 1 33 ASP HA 1 36 ILE H . . 5.500 4.402 4.378 4.432 . 0 0 "[ . 1 . 2]" 1
1628 1 33 ASP HA 1 85 PHE HB3 . . 5.500 2.917 2.826 3.056 . 0 0 "[ . 1 . 2]" 1
1629 1 32 ILE HA 1 33 ASP HB2 . . 5.130 4.589 4.423 4.714 . 0 0 "[ . 1 . 2]" 1
1630 1 31 TYR QD 1 32 ILE HA . . 5.130 4.525 4.368 4.684 . 0 0 "[ . 1 . 2]" 1
1631 1 32 ILE HA 1 37 THR MG . . 3.470 2.929 2.871 2.986 . 0 0 "[ . 1 . 2]" 1
1632 1 32 ILE HG12 1 32 ILE MG . . 3.320 2.094 2.000 2.166 . 0 0 "[ . 1 . 2]" 1
1633 1 23 ILE MD 1 23 ILE MG . . 3.010 2.356 2.108 2.481 . 0 0 "[ . 1 . 2]" 1
1634 1 31 TYR HA 1 87 VAL H . . 5.070 4.561 4.496 4.644 . 0 0 "[ . 1 . 2]" 1
1635 1 30 GLN H 1 31 TYR HA . . 5.500 4.874 4.831 4.915 . 0 0 "[ . 1 . 2]" 1
1636 1 29 TRP HZ2 1 72 LEU MD2 . . 4.440 3.753 3.619 3.898 . 0 0 "[ . 1 . 2]" 1
1637 1 29 TRP HZ2 1 89 ARG HD3 . . 3.880 3.674 3.571 3.878 . 0 0 "[ . 1 . 2]" 1
1638 1 25 THR HB 1 26 TYR H . . 4.490 3.620 2.591 4.121 . 0 0 "[ . 1 . 2]" 1
1639 1 11 ARG HA 1 11 ARG QD . . 4.430 3.240 2.155 4.281 . 0 0 "[ . 1 . 2]" 1
1640 1 16 LYS HA 1 16 LYS QD . . 4.480 3.599 2.117 4.385 . 0 0 "[ . 1 . 2]" 1
1641 1 17 GLU H 1 17 GLU QG . . 4.550 3.338 1.993 4.078 . 0 0 "[ . 1 . 2]" 1
1642 1 20 ALA HA 1 23 ILE HB . . 3.980 3.611 3.020 3.991 0.011 16 0 "[ . 1 . 2]" 1
1643 1 59 THR MG 1 60 VAL HA . . 5.070 4.254 4.105 4.409 . 0 0 "[ . 1 . 2]" 1
1644 1 58 ASP HA 1 59 THR MG . . 5.190 3.631 3.509 3.816 . 0 0 "[ . 1 . 2]" 1
1645 1 91 VAL HA 1 91 VAL MG2 . . 3.480 2.339 2.218 2.457 . 0 0 "[ . 1 . 2]" 1
1646 1 83 GLN QB 1 84 THR H . . 3.190 3.026 2.917 3.127 . 0 0 "[ . 1 . 2]" 1
1647 1 83 GLN HG2 1 84 THR H . . 4.870 4.530 3.771 4.852 . 0 0 "[ . 1 . 2]" 1
1648 1 83 GLN HA 1 83 GLN HG2 . . 3.530 3.316 2.789 3.495 . 0 0 "[ . 1 . 2]" 1
1649 1 83 GLN HA 1 84 THR MG . . 3.900 3.390 3.277 3.499 . 0 0 "[ . 1 . 2]" 1
1650 1 31 TYR HA 1 85 PHE HB2 . . 4.570 4.540 4.449 4.586 0.016 8 0 "[ . 1 . 2]" 1
1651 1 85 PHE HB2 1 87 VAL MG2 . . 5.500 5.260 5.108 5.370 . 0 0 "[ . 1 . 2]" 1
1652 1 33 ASP HA 1 85 PHE QD . . 4.840 2.144 1.992 2.564 . 0 0 "[ . 1 . 2]" 1
1653 1 85 PHE QD 1 87 VAL MG1 . . 4.750 4.564 4.497 4.663 . 0 0 "[ . 1 . 2]" 1
1654 1 32 ILE HB 1 86 THR HA . . 5.010 4.557 4.459 4.655 . 0 0 "[ . 1 . 2]" 1
1655 1 40 PHE QE 1 87 VAL HB . . 3.950 3.716 3.175 3.975 0.025 15 0 "[ . 1 . 2]" 1
1656 1 88 GLN HA 1 88 GLN QG . . 3.670 3.339 3.322 3.420 . 0 0 "[ . 1 . 2]" 1
1657 1 75 ASN HB3 1 88 GLN HA . . 5.500 3.715 3.517 3.775 . 0 0 "[ . 1 . 2]" 1
1658 1 90 LEU HA 1 91 VAL HA . . 5.500 4.374 4.358 4.417 . 0 0 "[ . 1 . 2]" 1
1659 1 90 LEU H 1 90 LEU HB3 . . 4.080 3.854 3.761 3.888 . 0 0 "[ . 1 . 2]" 1
1660 1 28 GLU H 1 90 LEU HB3 . . 5.380 5.200 4.936 5.395 0.015 8 0 "[ . 1 . 2]" 1
1661 1 28 GLU HB3 1 90 LEU HB3 . . 4.400 4.034 3.683 4.418 0.018 12 0 "[ . 1 . 2]" 1
1662 1 30 GLN HG3 1 90 LEU MD1 . . 4.150 2.589 2.224 4.154 0.004 8 0 "[ . 1 . 2]" 1
1663 1 68 PHE QD 1 79 ALA MB . . 3.120 2.626 2.582 2.698 . 0 0 "[ . 1 . 2]" 1
1664 1 73 SER H 1 74 THR MG . . 4.430 4.295 4.197 4.395 . 0 0 "[ . 1 . 2]" 1
1665 1 71 ASP H 1 77 ALA MB . . 4.400 4.294 4.153 4.406 0.006 1 0 "[ . 1 . 2]" 1
1666 1 74 THR MG 1 76 THR HB . . 2.900 2.140 1.995 2.282 . 0 0 "[ . 1 . 2]" 1
1667 1 25 THR H 1 25 THR MG . . 3.380 2.445 1.924 3.531 0.151 18 0 "[ . 1 . 2]" 1
1668 1 74 THR HA 1 75 ASN HB2 . . 5.170 4.651 4.620 4.712 . 0 0 "[ . 1 . 2]" 1
1669 1 75 ASN HB2 1 88 GLN HA . . 5.500 4.583 4.402 4.688 . 0 0 "[ . 1 . 2]" 1
1670 1 73 SER H 1 74 THR HA . . 5.500 5.484 5.417 5.511 0.011 18 0 "[ . 1 . 2]" 1
1671 1 70 VAL MG1 1 72 LEU MD2 . . 3.230 2.947 2.709 3.113 . 0 0 "[ . 1 . 2]" 1
1672 1 48 LEU HA 1 72 LEU MD2 . . 4.570 3.722 3.555 3.983 . 0 0 "[ . 1 . 2]" 1
1673 1 69 THR MG 1 71 ASP HB3 . . 5.340 5.261 5.126 5.355 0.015 18 0 "[ . 1 . 2]" 1
1674 1 71 ASP H 1 71 ASP HB3 . . 3.420 2.826 2.759 2.857 . 0 0 "[ . 1 . 2]" 1
1675 1 70 VAL MG1 1 71 ASP HB2 . . 5.500 4.907 4.802 5.016 . 0 0 "[ . 1 . 2]" 1
1676 1 69 THR MG 1 71 ASP HB2 . . 4.750 3.821 3.667 3.952 . 0 0 "[ . 1 . 2]" 1
1677 1 71 ASP HB2 1 74 THR MG . . 4.630 3.329 3.122 3.771 . 0 0 "[ . 1 . 2]" 1
1678 1 71 ASP HB2 1 76 THR HB . . 4.670 4.594 4.200 4.681 0.011 2 0 "[ . 1 . 2]" 1
1679 1 70 VAL HA 1 71 ASP HB2 . . 4.390 4.351 4.302 4.398 0.008 10 0 "[ . 1 . 2]" 1
1680 1 71 ASP HB2 1 72 LEU H . . 4.740 4.473 4.419 4.505 . 0 0 "[ . 1 . 2]" 1
1681 1 71 ASP H 1 71 ASP HB2 . . 3.530 2.431 2.343 2.491 . 0 0 "[ . 1 . 2]" 1
1682 1 70 VAL HB 1 71 ASP H . . 4.820 4.373 4.320 4.420 . 0 0 "[ . 1 . 2]" 1
1683 1 16 LYS H 1 16 LYS QB . . 3.130 2.460 2.138 2.615 . 0 0 "[ . 1 . 2]" 1
1684 1 59 THR H 1 70 VAL HB . . 3.130 3.018 2.811 3.141 0.011 7 0 "[ . 1 . 2]" 1
1685 1 14 LYS QB 1 15 GLU H . . 5.010 3.499 2.445 4.051 . 0 0 "[ . 1 . 2]" 1
1686 1 70 VAL MG1 1 87 VAL HB . . 4.470 3.450 3.325 3.607 . 0 0 "[ . 1 . 2]" 1
1687 1 60 VAL MG1 1 69 THR HA . . 4.300 3.827 3.614 4.076 . 0 0 "[ . 1 . 2]" 1
1688 1 68 PHE HA 1 79 ALA MB . . 4.220 2.796 2.748 2.861 . 0 0 "[ . 1 . 2]" 1
1689 1 67 ASP HA 1 68 PHE HB2 . . 4.490 4.198 4.183 4.214 . 0 0 "[ . 1 . 2]" 1
1690 1 90 LEU MD2 1 92 LYS QE . . 4.510 4.034 3.534 4.400 . 0 0 "[ . 1 . 2]" 1
1691 1 66 GLN QB 1 81 GLN HE21 . . 4.320 3.021 1.884 3.708 . 0 0 "[ . 1 . 2]" 1
1692 1 63 ILE HB 1 68 PHE QD . . 3.500 3.332 3.268 3.392 . 0 0 "[ . 1 . 2]" 1
1693 1 63 ILE HB 1 85 PHE QD . . 5.030 4.894 4.703 5.030 . 0 0 "[ . 1 . 2]" 1
1694 1 62 GLN HB2 1 65 ASN HA . . 5.500 5.452 5.378 5.512 0.012 18 0 "[ . 1 . 2]" 1
1695 1 59 THR HA 1 60 VAL HB . . 4.510 4.435 4.377 4.519 0.009 9 0 "[ . 1 . 2]" 1
1696 1 60 VAL MG1 1 62 GLN H . . 5.500 4.380 4.160 4.506 . 0 0 "[ . 1 . 2]" 1
1697 1 60 VAL MG1 1 67 ASP H . . 5.500 5.263 5.108 5.420 . 0 0 "[ . 1 . 2]" 1
1698 1 60 VAL MG2 1 68 PHE H . . 4.450 4.368 4.251 4.491 0.041 9 0 "[ . 1 . 2]" 1
1699 1 58 ASP HA 1 72 LEU QB . . 4.090 3.996 3.881 4.099 0.009 17 0 "[ . 1 . 2]" 1
1700 1 58 ASP HA 1 71 ASP HA . . 3.690 2.451 2.250 2.590 . 0 0 "[ . 1 . 2]" 1
1701 1 57 LYS HA 1 57 LYS QD . . 3.420 2.537 1.976 3.224 . 0 0 "[ . 1 . 2]" 1
1702 1 53 LYS HA 1 53 LYS QD . . 2.900 2.424 2.136 2.995 0.095 10 0 "[ . 1 . 2]" 1
1703 1 29 TRP HE1 1 48 LEU HB2 . . 5.500 4.428 4.296 4.595 . 0 0 "[ . 1 . 2]" 1
1704 1 44 THR HA 1 47 LYS HG3 . . 4.280 2.347 2.004 2.789 . 0 0 "[ . 1 . 2]" 1
1705 1 44 THR HA 1 47 LYS HG2 . . 4.380 3.894 3.661 4.327 . 0 0 "[ . 1 . 2]" 1
1706 1 46 MET HA 1 49 GLU HB3 . . 3.410 3.123 2.875 3.394 . 0 0 "[ . 1 . 2]" 1
1707 1 46 MET HG2 1 50 VAL MG1 . . 4.140 4.030 3.828 4.149 0.009 9 0 "[ . 1 . 2]" 1
1708 1 46 MET HB2 1 47 LYS H . . 4.210 3.993 3.906 4.067 . 0 0 "[ . 1 . 2]" 1
1709 1 46 MET HB2 1 50 VAL MG2 . . 5.030 4.496 4.151 4.874 . 0 0 "[ . 1 . 2]" 1
1710 1 46 MET HB3 1 47 LYS H . . 4.130 3.634 3.539 3.709 . 0 0 "[ . 1 . 2]" 1
1711 1 42 LYS HA 1 46 MET H . . 5.370 4.755 4.517 5.330 . 0 0 "[ . 1 . 2]" 1
1712 1 29 TRP HB3 1 40 PHE QE . . 5.210 3.630 3.190 3.900 . 0 0 "[ . 1 . 2]" 1
1713 1 36 ILE HA 1 36 ILE MD . . 3.650 3.415 3.323 3.506 . 0 0 "[ . 1 . 2]" 1
1714 1 33 ASP H 1 36 ILE MD . . 5.500 4.856 4.664 5.058 . 0 0 "[ . 1 . 2]" 1
1715 1 36 ILE MD 1 37 THR H . . 5.500 4.873 4.839 4.947 . 0 0 "[ . 1 . 2]" 1
1716 1 57 LYS H 1 57 LYS QD . . 4.900 4.329 4.137 4.605 . 0 0 "[ . 1 . 2]" 1
1717 1 33 ASP HA 1 34 LYS HB2 . . 5.130 5.093 5.082 5.107 . 0 0 "[ . 1 . 2]" 1
1718 1 31 TYR QE 1 33 ASP HA . . 5.440 4.095 3.771 4.331 . 0 0 "[ . 1 . 2]" 1
1719 1 31 TYR HB2 1 32 ILE HB . . 5.420 5.195 5.112 5.247 . 0 0 "[ . 1 . 2]" 1
1720 1 32 ILE HB 1 85 PHE HA . . 5.500 4.594 4.472 4.727 . 0 0 "[ . 1 . 2]" 1
1721 1 32 ILE HG13 1 86 THR HB . . 4.760 4.662 4.484 4.763 0.003 13 0 "[ . 1 . 2]" 1
1722 1 32 ILE HG13 1 88 GLN QG . . 5.370 5.161 5.000 5.416 0.046 13 0 "[ . 1 . 2]" 1
1723 1 30 GLN HA 1 87 VAL MG1 . . 5.410 4.951 4.730 5.146 . 0 0 "[ . 1 . 2]" 1
1724 1 30 GLN H 1 30 GLN HB3 . . 4.150 3.809 3.785 3.838 . 0 0 "[ . 1 . 2]" 1
1725 1 30 GLN HB3 1 88 GLN HE22 . . 5.350 4.306 3.345 4.979 . 0 0 "[ . 1 . 2]" 1
1726 1 29 TRP HD1 1 45 ASN QB . . 5.500 4.322 3.252 4.787 . 0 0 "[ . 1 . 2]" 1
1727 1 29 TRP H 1 29 TRP HD1 . . 3.770 3.068 2.749 3.335 . 0 0 "[ . 1 . 2]" 1
1728 1 29 TRP HZ2 1 89 ARG HE . . 4.040 2.345 1.893 3.182 . 0 0 "[ . 1 . 2]" 1
1729 1 24 SER HA 1 24 SER HG . . 4.040 2.298 2.063 2.512 . 0 0 "[ . 1 . 2]" 1
1730 1 24 SER HA 1 26 TYR H . . 5.500 3.842 3.548 4.348 . 0 0 "[ . 1 . 2]" 1
1731 1 23 ILE MG 1 24 SER HA . . 4.930 3.369 3.164 3.599 . 0 0 "[ . 1 . 2]" 1
1732 1 23 ILE HB 1 23 ILE MD . . 3.300 2.204 2.105 2.319 . 0 0 "[ . 1 . 2]" 1
1733 1 23 ILE H 1 23 ILE MD . . 4.710 3.309 3.095 3.428 . 0 0 "[ . 1 . 2]" 1
1734 1 22 TYR QD 1 23 ILE MD . . 5.100 3.954 3.147 5.066 . 0 0 "[ . 1 . 2]" 1
1735 1 20 ALA HA 1 23 ILE MD . . 3.730 2.960 2.096 3.643 . 0 0 "[ . 1 . 2]" 1
1736 1 23 ILE HA 1 23 ILE MD . . 4.340 3.878 3.856 3.889 . 0 0 "[ . 1 . 2]" 1
1737 1 19 GLN QB 1 23 ILE MD . . 3.940 3.473 2.490 3.942 0.002 1 0 "[ . 1 . 2]" 1
1738 1 23 ILE HA 1 23 ILE MG . . 3.710 2.353 2.297 2.464 . 0 0 "[ . 1 . 2]" 1
1739 1 23 ILE MG 1 24 SER HG . . 3.940 3.791 3.353 3.935 . 0 0 "[ . 1 . 2]" 1
1740 1 23 ILE MG 1 25 THR H . . 5.010 4.790 4.478 5.005 . 0 0 "[ . 1 . 2]" 1
1741 1 23 ILE HG12 1 23 ILE MG . . 3.330 2.182 2.031 2.341 . 0 0 "[ . 1 . 2]" 1
1742 1 23 ILE HG13 1 23 ILE MG . . 3.330 3.150 3.125 3.188 . 0 0 "[ . 1 . 2]" 1
1743 1 19 GLN HA 1 19 GLN HG3 . . 3.900 3.270 2.478 3.877 . 0 0 "[ . 1 . 2]" 1
1744 1 27 VAL MG1 1 89 ARG HE . . 4.420 4.314 3.961 4.428 0.008 14 0 "[ . 1 . 2]" 1
1745 1 27 VAL MG1 1 29 TRP HE1 . . 4.800 2.761 2.414 3.301 . 0 0 "[ . 1 . 2]" 1
1746 1 27 VAL MG2 1 89 ARG HG3 . . 5.500 2.766 2.545 3.031 . 0 0 "[ . 1 . 2]" 1
1747 1 27 VAL MG2 1 89 ARG HG2 . . 5.500 2.968 2.726 3.132 . 0 0 "[ . 1 . 2]" 1
1748 1 27 VAL MG2 1 29 TRP HD1 . . 3.830 2.338 1.985 2.704 . 0 0 "[ . 1 . 2]" 1
1749 1 27 VAL MG2 1 89 ARG HE . . 4.420 2.682 2.039 2.955 . 0 0 "[ . 1 . 2]" 1
1750 1 10 ILE HA 1 10 ILE QG . . 3.680 2.912 2.327 3.398 . 0 0 "[ . 1 . 2]" 1
1751 1 11 ARG HA 1 11 ARG QG . . 3.530 2.642 2.191 3.413 . 0 0 "[ . 1 . 2]" 1
1752 1 11 ARG HA 1 12 LEU QD . . 4.730 3.959 2.759 4.643 . 0 0 "[ . 1 . 2]" 1
1753 1 12 LEU HA 1 12 LEU QD . . 4.020 2.790 1.985 3.398 . 0 0 "[ . 1 . 2]" 1
1754 1 17 GLU H 1 17 GLU QB . . 3.680 2.302 2.124 2.609 . 0 0 "[ . 1 . 2]" 1
1755 1 17 GLU QB 1 20 ALA MB . . 3.860 3.709 3.234 3.885 0.025 5 0 "[ . 1 . 2]" 1
1756 1 19 GLN HA 1 22 TYR QB . . 3.630 2.352 1.960 2.857 . 0 0 "[ . 1 . 2]" 1
1757 1 19 GLN QG 1 20 ALA HA . . 3.900 3.209 2.910 3.590 . 0 0 "[ . 1 . 2]" 1
1758 1 19 GLN QG 1 20 ALA MB . . 4.130 3.667 3.074 4.131 0.001 5 0 "[ . 1 . 2]" 1
1759 1 19 GLN QG 1 23 ILE MD . . 2.920 2.452 1.898 2.930 0.010 16 0 "[ . 1 . 2]" 1
1760 1 21 ASP QB 1 22 TYR H . . 3.570 2.648 2.209 3.327 . 0 0 "[ . 1 . 2]" 1
1761 1 22 TYR H 1 22 TYR QB . . 2.840 2.243 2.143 2.289 . 0 0 "[ . 1 . 2]" 1
1762 1 22 TYR QB 1 23 ILE H . . 3.960 2.689 2.280 3.144 . 0 0 "[ . 1 . 2]" 1
1763 1 22 TYR QE 1 23 ILE QG . . 5.120 4.204 3.149 5.124 0.004 3 0 "[ . 1 . 2]" 1
1764 1 23 ILE H 1 23 ILE QG . . 3.520 2.362 1.941 2.536 . 0 0 "[ . 1 . 2]" 1
1765 1 23 ILE HA 1 23 ILE QG . . 3.610 2.448 2.416 2.465 . 0 0 "[ . 1 . 2]" 1
1766 1 23 ILE QG 1 23 ILE MG . . 2.910 2.143 2.007 2.285 . 0 0 "[ . 1 . 2]" 1
1767 1 23 ILE QG 1 26 TYR QE . . 4.200 3.606 3.102 4.063 . 0 0 "[ . 1 . 2]" 1
1768 1 26 TYR QB 1 27 VAL H . . 4.180 3.583 3.540 3.627 . 0 0 "[ . 1 . 2]" 1
1769 1 26 TYR QB 1 92 LYS HB2 . . 4.800 2.669 1.977 3.546 . 0 0 "[ . 1 . 2]" 1
1770 1 26 TYR QD 1 91 VAL QG . . 4.630 2.412 1.896 3.204 . 0 0 "[ . 1 . 2]" 1
1771 1 27 VAL H 1 27 VAL QG . . 3.700 2.526 2.340 2.597 . 0 0 "[ . 1 . 2]" 1
1772 1 27 VAL HB 1 45 ASN QD . . 5.340 5.081 4.575 5.357 0.017 14 0 "[ . 1 . 2]" 1
1773 1 27 VAL QG 1 28 GLU HA . . 4.810 3.253 3.119 3.448 . 0 0 "[ . 1 . 2]" 1
1774 1 27 VAL QG 1 29 TRP HA . . 4.780 4.220 3.963 4.354 . 0 0 "[ . 1 . 2]" 1
1775 1 27 VAL QG 1 29 TRP HD1 . . 3.310 2.146 1.918 2.489 . 0 0 "[ . 1 . 2]" 1
1776 1 27 VAL QG 1 29 TRP HE1 . . 3.780 1.991 1.842 2.217 . 0 0 "[ . 1 . 2]" 1
1777 1 27 VAL QG 1 45 ASN QD . . 5.000 2.386 1.843 2.727 . 0 0 "[ . 1 . 2]" 1
1778 1 27 VAL QG 1 49 GLU HA . . 4.950 3.650 3.462 3.955 . 0 0 "[ . 1 . 2]" 1
1779 1 27 VAL QG 1 49 GLU HB2 . . 4.290 2.326 2.025 2.742 . 0 0 "[ . 1 . 2]" 1
1780 1 27 VAL QG 1 49 GLU QG . . 3.550 2.851 2.018 3.281 . 0 0 "[ . 1 . 2]" 1
1781 1 27 VAL QG 1 89 ARG HA . . 4.180 3.912 3.707 4.147 . 0 0 "[ . 1 . 2]" 1
1782 1 27 VAL QG 1 89 ARG HB2 . . 5.440 4.708 4.552 4.895 . 0 0 "[ . 1 . 2]" 1
1783 1 27 VAL QG 1 89 ARG QG . . 3.090 2.523 2.398 2.627 . 0 0 "[ . 1 . 2]" 1
1784 1 27 VAL QG 1 89 ARG QD . . 4.250 3.664 3.407 3.815 . 0 0 "[ . 1 . 2]" 1
1785 1 27 VAL QG 1 89 ARG HE . . 3.850 2.654 2.036 2.914 . 0 0 "[ . 1 . 2]" 1
1786 1 27 VAL QG 1 91 VAL HA . . 3.670 3.347 3.090 3.673 0.003 12 0 "[ . 1 . 2]" 1
1787 1 27 VAL QG 1 91 VAL QG . . 4.200 3.728 3.233 4.198 . 0 0 "[ . 1 . 2]" 1
1788 1 27 VAL QG 1 92 LYS H . . 5.060 4.269 3.864 4.702 . 0 0 "[ . 1 . 2]" 1
1789 1 28 GLU H 1 28 GLU QG . . 4.920 4.204 4.110 4.282 . 0 0 "[ . 1 . 2]" 1
1790 1 28 GLU H 1 92 LYS QG . . 4.670 3.494 2.872 3.936 . 0 0 "[ . 1 . 2]" 1
1791 1 28 GLU HA 1 28 GLU QG . . 3.480 2.589 2.212 3.053 . 0 0 "[ . 1 . 2]" 1
1792 1 28 GLU HA 1 45 ASN QD . . 4.670 2.805 1.862 4.214 . 0 0 "[ . 1 . 2]" 1
1793 1 28 GLU HB3 1 90 LEU QD . . 4.390 2.607 2.081 3.152 . 0 0 "[ . 1 . 2]" 1
1794 1 28 GLU HB3 1 92 LYS QG . . 4.390 3.306 2.706 3.933 . 0 0 "[ . 1 . 2]" 1
1795 1 28 GLU QG 1 29 TRP H . . 4.900 2.846 2.394 3.448 . 0 0 "[ . 1 . 2]" 1
1796 1 28 GLU QG 1 29 TRP HA . . 5.340 4.161 3.626 4.497 . 0 0 "[ . 1 . 2]" 1
1797 1 28 GLU QG 1 30 GLN H . . 5.340 4.507 3.785 4.987 . 0 0 "[ . 1 . 2]" 1
1798 1 28 GLU QG 1 30 GLN HE21 . . 3.800 3.081 2.387 3.524 . 0 0 "[ . 1 . 2]" 1
1799 1 28 GLU QG 1 30 GLN HE22 . . 5.210 4.015 3.624 4.488 . 0 0 "[ . 1 . 2]" 1
1800 1 28 GLU QG 1 39 CYS QB . . 3.890 3.662 3.321 3.905 0.015 3 0 "[ . 1 . 2]" 1
1801 1 28 GLU QG 1 90 LEU QD . . 4.430 2.977 2.126 3.775 . 0 0 "[ . 1 . 2]" 1
1802 1 28 GLU QG 1 92 LYS QE . . 5.070 3.157 2.060 4.355 . 0 0 "[ . 1 . 2]" 1
1803 1 29 TRP HA 1 48 LEU QD . . 5.180 4.106 3.964 4.301 . 0 0 "[ . 1 . 2]" 1
1804 1 29 TRP HA 1 89 ARG QG . . 5.340 4.292 4.002 4.419 . 0 0 "[ . 1 . 2]" 1
1805 1 29 TRP HB2 1 48 LEU QD . . 3.540 2.624 2.188 2.964 . 0 0 "[ . 1 . 2]" 1
1806 1 29 TRP HB3 1 48 LEU QD . . 3.520 1.987 1.864 2.216 . 0 0 "[ . 1 . 2]" 1
1807 1 29 TRP HD1 1 48 LEU QD . . 5.030 4.435 4.152 4.630 . 0 0 "[ . 1 . 2]" 1
1808 1 29 TRP HD1 1 49 GLU QG . . 5.340 4.584 4.110 4.937 . 0 0 "[ . 1 . 2]" 1
1809 1 29 TRP HD1 1 89 ARG QG . . 5.340 4.087 3.896 4.338 . 0 0 "[ . 1 . 2]" 1
1810 1 29 TRP HE3 1 48 LEU QD . . 3.840 2.224 1.975 2.543 . 0 0 "[ . 1 . 2]" 1
1811 1 29 TRP HE1 1 49 GLU QG . . 4.810 3.849 3.680 4.108 . 0 0 "[ . 1 . 2]" 1
1812 1 29 TRP HE1 1 89 ARG QG . . 4.270 2.958 2.722 3.294 . 0 0 "[ . 1 . 2]" 1
1813 1 29 TRP HE1 1 89 ARG QD . . 5.020 3.746 3.463 3.942 . 0 0 "[ . 1 . 2]" 1
1814 1 29 TRP HZ3 1 48 LEU QD . . 4.600 3.510 3.357 3.673 . 0 0 "[ . 1 . 2]" 1
1815 1 29 TRP HZ2 1 89 ARG QD . . 3.300 2.055 1.987 2.270 . 0 0 "[ . 1 . 2]" 1
1816 1 29 TRP HH2 1 48 LEU QD . . 4.800 4.659 4.474 4.803 0.003 4 0 "[ . 1 . 2]" 1
1817 1 30 GLN H 1 48 LEU QD . . 5.410 4.550 4.279 4.734 . 0 0 "[ . 1 . 2]" 1
1818 1 30 GLN H 1 90 LEU QD . . 5.090 2.877 2.566 3.105 . 0 0 "[ . 1 . 2]" 1
1819 1 30 GLN HA 1 39 CYS QB . . 4.310 3.005 2.798 3.264 . 0 0 "[ . 1 . 2]" 1
1820 1 30 GLN HG2 1 39 CYS QB . . 3.980 1.900 1.790 2.302 . 0 0 "[ . 1 . 2]" 1
1821 1 30 GLN HG3 1 90 LEU QD . . 3.550 2.453 1.994 2.657 . 0 0 "[ . 1 . 2]" 1
1822 1 30 GLN HE21 1 90 LEU QD . . 3.520 2.283 1.930 3.512 . 0 0 "[ . 1 . 2]" 1
1823 1 30 GLN HE22 1 90 LEU QD . . 3.700 3.108 2.801 3.509 . 0 0 "[ . 1 . 2]" 1
1824 1 33 ASP HB3 1 34 LYS QG . . 5.340 4.863 4.658 5.046 . 0 0 "[ . 1 . 2]" 1
1825 1 34 LYS H 1 34 LYS QG . . 3.330 1.973 1.879 2.147 . 0 0 "[ . 1 . 2]" 1
1826 1 34 LYS H 1 34 LYS QD . . 4.820 3.841 3.580 4.134 . 0 0 "[ . 1 . 2]" 1
1827 1 34 LYS HA 1 34 LYS QG . . 3.180 2.529 2.383 2.695 . 0 0 "[ . 1 . 2]" 1
1828 1 34 LYS HA 1 34 LYS QD . . 4.210 3.435 2.457 4.202 . 0 0 "[ . 1 . 2]" 1
1829 1 34 LYS QG 1 35 ASN H . . 4.200 3.764 3.725 3.841 . 0 0 "[ . 1 . 2]" 1
1830 1 36 ILE MG 1 38 GLN QE . . 4.400 3.527 1.814 4.274 . 0 0 "[ . 1 . 2]" 1
1831 1 38 GLN HA 1 38 GLN QE . . 5.220 3.491 1.896 4.770 . 0 0 "[ . 1 . 2]" 1
1832 1 38 GLN HA 1 39 CYS QB . . 4.730 4.225 4.146 4.648 . 0 0 "[ . 1 . 2]" 1
1833 1 38 GLN QE 1 39 CYS H . . 5.150 4.224 3.041 5.064 . 0 0 "[ . 1 . 2]" 1
1834 1 39 CYS H 1 39 CYS QB . . 3.170 2.927 2.708 3.001 . 0 0 "[ . 1 . 2]" 1
1835 1 39 CYS QB 1 40 PHE H . . 3.080 2.504 2.323 2.639 . 0 0 "[ . 1 . 2]" 1
1836 1 40 PHE HA 1 41 ASP QB . . 5.340 4.525 4.142 4.747 . 0 0 "[ . 1 . 2]" 1
1837 1 40 PHE HB2 1 48 LEU QD . . 4.960 3.186 3.059 3.375 . 0 0 "[ . 1 . 2]" 1
1838 1 40 PHE HB3 1 48 LEU QD . . 4.870 3.526 3.190 3.782 . 0 0 "[ . 1 . 2]" 1
1839 1 40 PHE QD 1 48 LEU QD . . 3.830 2.584 2.270 2.754 . 0 0 "[ . 1 . 2]" 1
1840 1 40 PHE QE 1 48 LEU QD . . 3.670 2.541 2.181 2.717 . 0 0 "[ . 1 . 2]" 1
1841 1 40 PHE HZ 1 48 LEU QD . . 3.970 3.068 2.679 3.451 . 0 0 "[ . 1 . 2]" 1
1842 1 41 ASP H 1 41 ASP QB . . 3.180 2.449 2.160 2.858 . 0 0 "[ . 1 . 2]" 1
1843 1 41 ASP HA 1 42 LYS QG . . 5.100 4.520 4.146 5.152 0.052 1 0 "[ . 1 . 2]" 1
1844 1 41 ASP QB 1 42 LYS H . . 3.690 2.364 2.017 2.963 . 0 0 "[ . 1 . 2]" 1
1845 1 41 ASP QB 1 44 THR H . . 5.340 2.625 2.174 3.327 . 0 0 "[ . 1 . 2]" 1
1846 1 42 LYS H 1 42 LYS QG . . 4.390 2.277 1.993 2.991 . 0 0 "[ . 1 . 2]" 1
1847 1 42 LYS HA 1 42 LYS QG . . 3.590 3.350 3.331 3.437 . 0 0 "[ . 1 . 2]" 1
1848 1 42 LYS HA 1 45 ASN QD . . 4.870 4.042 3.116 4.661 . 0 0 "[ . 1 . 2]" 1
1849 1 42 LYS QG 1 43 MET H . . 4.590 2.274 2.052 2.687 . 0 0 "[ . 1 . 2]" 1
1850 1 42 LYS QG 1 43 MET QG . . 4.090 2.522 2.007 3.635 . 0 0 "[ . 1 . 2]" 1
1851 1 43 MET H 1 43 MET QB . . 3.400 2.455 2.275 2.761 . 0 0 "[ . 1 . 2]" 1
1852 1 43 MET H 1 43 MET QG . . 3.480 2.392 1.906 2.907 . 0 0 "[ . 1 . 2]" 1
1853 1 43 MET ME 1 43 MET QG . . 3.510 2.272 1.972 2.444 . 0 0 "[ . 1 . 2]" 1
1854 1 44 THR HA 1 47 LYS QD . . 3.860 2.596 2.175 3.738 . 0 0 "[ . 1 . 2]" 1
1855 1 44 THR HA 1 48 LEU QD . . 5.440 4.726 4.432 4.935 . 0 0 "[ . 1 . 2]" 1
1856 1 44 THR HB 1 48 LEU QD . . 5.440 4.317 3.741 4.635 . 0 0 "[ . 1 . 2]" 1
1857 1 44 THR MG 1 47 LYS QE . . 5.340 4.208 2.098 5.043 . 0 0 "[ . 1 . 2]" 1
1858 1 44 THR MG 1 48 LEU QD . . 3.190 2.612 2.067 2.833 . 0 0 "[ . 1 . 2]" 1
1859 1 45 ASN HA 1 48 LEU QD . . 3.510 2.999 2.635 3.359 . 0 0 "[ . 1 . 2]" 1
1860 1 46 MET HA 1 49 GLU QG . . 3.850 2.026 1.876 2.305 . 0 0 "[ . 1 . 2]" 1
1861 1 46 MET ME 1 47 LYS QE . . 4.940 4.455 3.952 4.935 . 0 0 "[ . 1 . 2]" 1
1862 1 47 LYS H 1 47 LYS QD . . 4.960 4.091 3.938 4.378 . 0 0 "[ . 1 . 2]" 1
1863 1 47 LYS H 1 47 LYS QE . . 5.340 4.432 3.685 4.806 . 0 0 "[ . 1 . 2]" 1
1864 1 47 LYS HA 1 47 LYS QD . . 4.240 3.868 3.754 4.005 . 0 0 "[ . 1 . 2]" 1
1865 1 47 LYS QB 1 48 LEU QD . . 5.120 3.499 3.440 3.556 . 0 0 "[ . 1 . 2]" 1
1866 1 47 LYS QE 1 47 LYS HG2 . . 3.410 2.748 2.128 3.274 . 0 0 "[ . 1 . 2]" 1
1867 1 47 LYS QE 1 47 LYS HG3 . . 3.090 2.372 2.138 3.210 0.120 18 0 "[ . 1 . 2]" 1
1868 1 47 LYS QD 1 61 VAL MG1 . . 3.510 2.774 2.414 3.062 . 0 0 "[ . 1 . 2]" 1
1869 1 48 LEU HA 1 48 LEU QD . . 2.860 2.225 2.048 2.429 . 0 0 "[ . 1 . 2]" 1
1870 1 48 LEU HB2 1 48 LEU QD . . 3.050 2.214 2.037 2.302 . 0 0 "[ . 1 . 2]" 1
1871 1 48 LEU HB3 1 48 LEU QD . . 2.930 2.050 2.019 2.109 . 0 0 "[ . 1 . 2]" 1
1872 1 48 LEU QD 1 51 ALA MB . . 4.180 3.861 3.689 4.115 . 0 0 "[ . 1 . 2]" 1
1873 1 48 LEU QD 1 59 THR HB . . 4.610 4.152 3.952 4.352 . 0 0 "[ . 1 . 2]" 1
1874 1 48 LEU QD 1 59 THR MG . . 2.430 1.866 1.705 2.067 . 0 0 "[ . 1 . 2]" 1
1875 1 48 LEU QD 1 61 VAL HB . . 4.880 3.989 3.762 4.180 . 0 0 "[ . 1 . 2]" 1
1876 1 48 LEU QD 1 61 VAL MG1 . . 2.800 2.023 1.810 2.291 . 0 0 "[ . 1 . 2]" 1
1877 1 48 LEU QD 1 61 VAL MG2 . . 3.980 2.593 2.382 2.827 . 0 0 "[ . 1 . 2]" 1
1878 1 48 LEU QD 1 70 VAL H . . 5.350 4.442 4.356 4.551 . 0 0 "[ . 1 . 2]" 1
1879 1 48 LEU QD 1 70 VAL HB . . 3.530 2.701 2.610 2.780 . 0 0 "[ . 1 . 2]" 1
1880 1 48 LEU QD 1 70 VAL MG1 . . 4.510 2.064 1.902 2.278 . 0 0 "[ . 1 . 2]" 1
1881 1 48 LEU QD 1 70 VAL MG2 . . 4.200 2.171 1.917 2.409 . 0 0 "[ . 1 . 2]" 1
1882 1 48 LEU QD 1 72 LEU HG . . 5.190 4.696 4.513 4.886 . 0 0 "[ . 1 . 2]" 1
1883 1 48 LEU QD 1 72 LEU MD2 . . 3.630 3.298 3.014 3.613 . 0 0 "[ . 1 . 2]" 1
1884 1 48 LEU QD 1 87 VAL HB . . 5.140 3.459 3.236 3.700 . 0 0 "[ . 1 . 2]" 1
1885 1 48 LEU QD 1 87 VAL MG1 . . 3.940 2.453 2.324 2.617 . 0 0 "[ . 1 . 2]" 1
1886 1 48 LEU QD 1 87 VAL MG2 . . 5.250 3.589 3.401 3.755 . 0 0 "[ . 1 . 2]" 1
1887 1 49 GLU H 1 49 GLU QG . . 3.310 2.748 2.586 2.892 . 0 0 "[ . 1 . 2]" 1
1888 1 49 GLU HA 1 49 GLU QG . . 3.570 3.332 3.269 3.469 . 0 0 "[ . 1 . 2]" 1
1889 1 49 GLU QG 1 50 VAL H . . 4.660 1.986 1.857 2.182 . 0 0 "[ . 1 . 2]" 1
1890 1 49 GLU QG 1 50 VAL HA . . 4.440 3.037 2.739 3.627 . 0 0 "[ . 1 . 2]" 1
1891 1 49 GLU QG 1 50 VAL MG1 . . 3.140 2.436 2.342 2.547 . 0 0 "[ . 1 . 2]" 1
1892 1 49 GLU QG 1 50 VAL MG2 . . 3.890 3.458 3.288 3.629 . 0 0 "[ . 1 . 2]" 1
1893 1 53 LYS HA 1 55 LYS QG . . 4.630 4.457 4.309 4.616 . 0 0 "[ . 1 . 2]" 1
1894 1 55 LYS HA 1 55 LYS QG . . 2.990 2.310 2.163 2.411 . 0 0 "[ . 1 . 2]" 1
1895 1 55 LYS HA 1 55 LYS QD . . 4.750 3.883 3.640 4.193 . 0 0 "[ . 1 . 2]" 1
1896 1 55 LYS QB 1 55 LYS QD . . 3.240 2.155 2.008 2.289 . 0 0 "[ . 1 . 2]" 1
1897 1 55 LYS QB 1 55 LYS QE . . 4.480 2.500 1.973 3.628 . 0 0 "[ . 1 . 2]" 1
1898 1 55 LYS QB 1 56 LYS H . . 4.130 3.841 3.820 3.859 . 0 0 "[ . 1 . 2]" 1
1899 1 57 LYS HA 1 57 LYS QG . . 3.080 2.496 2.162 2.803 . 0 0 "[ . 1 . 2]" 1
1900 1 57 LYS QB 1 73 SER QB . . 5.230 5.068 3.609 5.261 0.031 2 0 "[ . 1 . 2]" 1
1901 1 57 LYS QG 1 73 SER QB . . 3.830 3.615 3.376 3.856 0.026 20 0 "[ . 1 . 2]" 1
1902 1 57 LYS QD 1 73 SER QB . . 4.130 3.164 2.076 3.751 . 0 0 "[ . 1 . 2]" 1
1903 1 60 VAL MG1 1 62 GLN QG . . 4.580 4.382 4.293 4.576 . 0 0 "[ . 1 . 2]" 1
1904 1 60 VAL MG1 1 62 GLN QE . . 3.990 3.137 2.755 3.628 . 0 0 "[ . 1 . 2]" 1
1905 1 60 VAL MG1 1 67 ASP QB . . 2.980 2.499 2.230 2.757 . 0 0 "[ . 1 . 2]" 1
1906 1 60 VAL MG2 1 67 ASP QB . . 4.120 3.920 3.765 4.093 . 0 0 "[ . 1 . 2]" 1
1907 1 62 GLN H 1 62 GLN QG . . 3.330 3.307 3.251 3.412 0.082 6 0 "[ . 1 . 2]" 1
1908 1 62 GLN HA 1 62 GLN QG . . 3.240 2.316 2.262 2.590 . 0 0 "[ . 1 . 2]" 1
1909 1 62 GLN QG 1 63 ILE H . . 4.470 4.231 4.186 4.405 . 0 0 "[ . 1 . 2]" 1
1910 1 62 GLN QG 1 65 ASN HA . . 4.840 4.666 4.589 4.737 . 0 0 "[ . 1 . 2]" 1
1911 1 62 GLN QG 1 67 ASP HA . . 3.170 3.113 3.012 3.171 0.001 6 0 "[ . 1 . 2]" 1
1912 1 62 GLN QG 1 68 PHE H . . 5.280 4.756 4.649 4.987 . 0 0 "[ . 1 . 2]" 1
1913 1 62 GLN QE 1 67 ASP HA . . 4.500 3.844 3.401 4.487 . 0 0 "[ . 1 . 2]" 1
1914 1 63 ILE MG 1 64 HIS QB . . 3.670 2.779 2.404 3.015 . 0 0 "[ . 1 . 2]" 1
1915 1 64 HIS HA 1 64 HIS QB . . 2.650 2.387 2.316 2.467 . 0 0 "[ . 1 . 2]" 1
1916 1 64 HIS HA 1 65 ASN QB . . 5.340 4.099 3.790 4.406 . 0 0 "[ . 1 . 2]" 1
1917 1 64 HIS QB 1 65 ASN H . . 3.960 3.830 3.761 3.869 . 0 0 "[ . 1 . 2]" 1
1918 1 64 HIS QB 1 66 GLN H . . 4.440 3.720 3.686 3.762 . 0 0 "[ . 1 . 2]" 1
1919 1 64 HIS QB 1 66 GLN QB . . 4.750 4.172 4.104 4.258 . 0 0 "[ . 1 . 2]" 1
1920 1 64 HIS QB 1 66 GLN QG . . 4.860 2.283 2.203 2.409 . 0 0 "[ . 1 . 2]" 1
1921 1 64 HIS QB 1 66 GLN QE . . 3.860 2.539 1.681 3.602 . 0 0 "[ . 1 . 2]" 1
1922 1 65 ASN H 1 65 ASN QB . . 3.690 3.285 2.969 3.472 . 0 0 "[ . 1 . 2]" 1
1923 1 66 GLN HA 1 67 ASP QB . . 4.930 4.473 4.243 4.610 . 0 0 "[ . 1 . 2]" 1
1924 1 66 GLN QE 1 79 ALA MB . . 5.090 4.349 3.629 5.121 0.031 4 0 "[ . 1 . 2]" 1
1925 1 66 GLN QE 1 81 GLN HB2 . . 5.340 4.166 3.538 4.653 . 0 0 "[ . 1 . 2]" 1
1926 1 67 ASP H 1 67 ASP QB . . 3.030 2.567 2.233 2.761 . 0 0 "[ . 1 . 2]" 1
1927 1 67 ASP QB 1 68 PHE H . . 3.510 3.112 3.046 3.160 . 0 0 "[ . 1 . 2]" 1
1928 1 68 PHE HA 1 80 PRO QD . . 5.150 3.747 3.672 3.843 . 0 0 "[ . 1 . 2]" 1
1929 1 68 PHE QE 1 81 GLN QG . . 5.230 3.233 3.103 3.411 . 0 0 "[ . 1 . 2]" 1
1930 1 68 PHE HZ 1 81 GLN QG . . 4.040 4.057 4.029 4.081 0.041 12 0 "[ . 1 . 2]" 1
1931 1 73 SER H 1 73 SER QB . . 3.090 2.186 2.140 2.259 . 0 0 "[ . 1 . 2]" 1
1932 1 73 SER QB 1 74 THR H . . 3.180 2.418 2.235 2.833 . 0 0 "[ . 1 . 2]" 1
1933 1 73 SER QB 1 74 THR HB . . 5.340 3.629 3.557 3.699 . 0 0 "[ . 1 . 2]" 1
1934 1 73 SER QB 1 74 THR MG . . 3.970 3.384 3.238 3.638 . 0 0 "[ . 1 . 2]" 1
1935 1 73 SER QB 1 75 ASN H . . 5.140 4.172 4.100 4.343 . 0 0 "[ . 1 . 2]" 1
1936 1 75 ASN HB2 1 75 ASN QD . . 3.450 3.006 2.110 3.262 . 0 0 "[ . 1 . 2]" 1
1937 1 75 ASN QD 1 87 VAL MG2 . . 4.500 3.535 3.292 4.416 . 0 0 "[ . 1 . 2]" 1
1938 1 79 ALA H 1 80 PRO QD . . 4.500 4.328 4.303 4.339 . 0 0 "[ . 1 . 2]" 1
1939 1 79 ALA HA 1 80 PRO QG . . 4.410 3.998 3.988 4.017 . 0 0 "[ . 1 . 2]" 1
1940 1 79 ALA HA 1 80 PRO QD . . 2.680 2.086 2.077 2.104 . 0 0 "[ . 1 . 2]" 1
1941 1 79 ALA HA 1 81 GLN QG . . 4.920 4.686 4.552 4.762 . 0 0 "[ . 1 . 2]" 1
1942 1 79 ALA MB 1 80 PRO QB . . 5.340 4.525 4.514 4.532 . 0 0 "[ . 1 . 2]" 1
1943 1 79 ALA MB 1 80 PRO QG . . 4.150 3.540 3.524 3.551 . 0 0 "[ . 1 . 2]" 1
1944 1 79 ALA MB 1 80 PRO QD . . 2.880 1.942 1.935 1.955 . 0 0 "[ . 1 . 2]" 1
1945 1 79 ALA MB 1 81 GLN QG . . 3.780 2.629 2.441 2.740 . 0 0 "[ . 1 . 2]" 1
1946 1 80 PRO QB 1 81 GLN H . . 3.890 3.727 3.709 3.740 . 0 0 "[ . 1 . 2]" 1
1947 1 80 PRO QD 1 81 GLN H . . 4.260 2.958 2.930 2.977 . 0 0 "[ . 1 . 2]" 1
1948 1 80 PRO QD 1 81 GLN HE21 . . 5.250 4.202 4.003 4.379 . 0 0 "[ . 1 . 2]" 1
1949 1 81 GLN H 1 81 GLN QG . . 3.570 2.311 2.241 2.421 . 0 0 "[ . 1 . 2]" 1
1950 1 81 GLN HA 1 81 GLN QG . . 2.930 2.786 2.447 3.004 0.074 3 0 "[ . 1 . 2]" 1
1951 1 81 GLN HB2 1 83 GLN QE . . 4.720 3.310 2.453 3.923 . 0 0 "[ . 1 . 2]" 1
1952 1 81 GLN HB3 1 83 GLN QE . . 4.490 3.278 2.722 3.854 . 0 0 "[ . 1 . 2]" 1
1953 1 81 GLN QG 1 82 GLY H . . 4.050 3.901 3.780 3.972 . 0 0 "[ . 1 . 2]" 1
1954 1 83 GLN QE 1 83 GLN HG3 . . 3.470 2.876 2.103 3.322 . 0 0 "[ . 1 . 2]" 1
1955 1 83 GLN QE 1 85 PHE HZ . . 5.340 4.734 4.010 5.344 0.004 11 0 "[ . 1 . 2]" 1
1956 1 88 GLN H 1 90 LEU QD . . 5.440 4.020 3.778 4.399 . 0 0 "[ . 1 . 2]" 1
1957 1 88 GLN HA 1 90 LEU QD . . 5.440 4.272 3.894 4.726 . 0 0 "[ . 1 . 2]" 1
1958 1 88 GLN HB2 1 90 LEU QD . . 3.950 3.069 2.615 3.548 . 0 0 "[ . 1 . 2]" 1
1959 1 88 GLN HE21 1 90 LEU QD . . 4.450 3.420 3.037 3.763 . 0 0 "[ . 1 . 2]" 1
1960 1 89 ARG H 1 89 ARG QD . . 4.850 4.512 4.406 4.598 . 0 0 "[ . 1 . 2]" 1
1961 1 89 ARG HA 1 89 ARG QG . . 3.380 2.288 2.227 2.372 . 0 0 "[ . 1 . 2]" 1
1962 1 89 ARG HA 1 89 ARG QD . . 4.550 3.881 3.759 3.997 . 0 0 "[ . 1 . 2]" 1
1963 1 89 ARG QG 1 89 ARG QH1 . . 3.810 2.550 2.247 3.742 . 0 0 "[ . 1 . 2]" 1
1964 1 89 ARG QG 1 90 LEU H . . 4.270 2.814 2.710 2.948 . 0 0 "[ . 1 . 2]" 1
1965 1 89 ARG QG 1 90 LEU HA . . 5.340 4.061 3.976 4.146 . 0 0 "[ . 1 . 2]" 1
1966 1 90 LEU HA 1 91 VAL QG . . 4.520 3.648 3.435 3.917 . 0 0 "[ . 1 . 2]" 1
1967 1 90 LEU QD 1 92 LYS QD . . 5.340 4.728 3.091 5.287 . 0 0 "[ . 1 . 2]" 1
1968 1 90 LEU QD 1 92 LYS QE . . 3.930 3.705 3.374 3.909 . 0 0 "[ . 1 . 2]" 1
1969 1 91 VAL H 1 91 VAL QG . . 3.330 2.199 1.879 2.578 . 0 0 "[ . 1 . 2]" 1
1970 1 91 VAL HA 1 91 VAL QG . . 2.990 2.197 2.049 2.381 . 0 0 "[ . 1 . 2]" 1
1971 1 91 VAL HA 1 92 LYS QG . . 4.240 3.653 3.390 3.933 . 0 0 "[ . 1 . 2]" 1
1972 1 91 VAL QG 1 92 LYS H . . 3.710 2.485 1.985 3.060 . 0 0 "[ . 1 . 2]" 1
1973 1 92 LYS H 1 92 LYS QG . . 3.490 2.499 2.019 3.059 . 0 0 "[ . 1 . 2]" 1
1974 1 92 LYS HA 1 92 LYS QG . . 3.280 2.808 2.384 3.115 . 0 0 "[ . 1 . 2]" 1
1975 1 92 LYS QE 1 92 LYS QG . . 2.960 2.175 2.021 2.567 . 0 0 "[ . 1 . 2]" 1
1976 1 94 SER HA 1 95 GLY QA . . 5.340 3.961 3.887 4.403 . 0 0 "[ . 1 . 2]" 1
1977 1 95 GLY QA 1 96 PRO QG . . 4.820 3.732 3.641 4.071 . 0 0 "[ . 1 . 2]" 1
1978 1 95 GLY QA 1 96 PRO QD . . 2.570 1.983 1.842 2.293 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 166.946
_Distance_constraint_stats_list.Viol_max 0.228
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2087
_Distance_constraint_stats_list.Viol_average_violations_only 0.2087
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 77 ALA 8.347 0.228 7 0 "[ . 1 . 2]"
1 85 PHE 8.347 0.228 7 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 77 ALA O 1 85 PHE H . . 1.800 2.011 1.991 2.028 0.228 7 0 "[ . 1 . 2]" 2
2 1 77 ALA O 1 85 PHE N . . 2.700 2.906 2.872 2.926 0.226 20 0 "[ . 1 . 2]" 2
stop_
save_
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