NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394989 |
1rkn   |
4905 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rkn
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 643
_Distance_constraint_stats_list.Viol_count 1090
_Distance_constraint_stats_list.Viol_total 466.841
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0357
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 LYS 0.014 0.006 10 0 "[ . 1 ]"
1 7 LEU 0.075 0.014 6 0 "[ . 1 ]"
1 8 HIS 0.009 0.007 8 0 "[ . 1 ]"
1 9 LYS 0.194 0.051 8 0 "[ . 1 ]"
1 10 GLU 0.146 0.031 10 0 "[ . 1 ]"
1 11 PRO 1.001 0.103 7 0 "[ . 1 ]"
1 12 ALA 0.225 0.055 6 0 "[ . 1 ]"
1 13 THR 0.021 0.021 10 0 "[ . 1 ]"
1 14 LEU 1.432 0.110 11 0 "[ . 1 ]"
1 15 ILE 1.207 0.122 11 0 "[ . 1 ]"
1 16 LYS 0.493 0.065 11 0 "[ . 1 ]"
1 17 ALA 0.314 0.057 8 0 "[ . 1 ]"
1 18 ILE 0.121 0.030 11 0 "[ . 1 ]"
1 19 ASP 0.008 0.008 6 0 "[ . 1 ]"
1 20 GLY 0.079 0.011 7 0 "[ . 1 ]"
1 21 ASP 0.165 0.035 7 0 "[ . 1 ]"
1 22 THR 0.104 0.044 2 0 "[ . 1 ]"
1 23 VAL 0.216 0.034 11 0 "[ . 1 ]"
1 24 LYS 1.117 0.110 11 0 "[ . 1 ]"
1 25 LEU 4.223 0.175 2 0 "[ . 1 ]"
1 26 MET 2.077 0.192 12 0 "[ . 1 ]"
1 27 TYR 3.025 0.126 9 0 "[ . 1 ]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 29 GLY 0.037 0.021 10 0 "[ . 1 ]"
1 30 GLN 1.628 0.126 9 0 "[ . 1 ]"
1 31 PRO 1.798 0.192 12 0 "[ . 1 ]"
1 32 MET 1.436 0.115 12 0 "[ . 1 ]"
1 33 THR 0.576 0.056 11 0 "[ . 1 ]"
1 34 PHE 5.110 0.279 12 0 "[ . 1 ]"
1 35 ARG 1.205 0.107 12 0 "[ . 1 ]"
1 36 LEU 0.465 0.132 3 0 "[ . 1 ]"
1 37 LEU 0.454 0.092 11 0 "[ . 1 ]"
1 39 VAL 0.080 0.055 2 0 "[ . 1 ]"
1 41 THR 2.372 0.147 4 0 "[ . 1 ]"
1 42 PRO 0.719 0.195 6 0 "[ . 1 ]"
1 43 GLU 0.167 0.064 8 0 "[ . 1 ]"
1 44 THR 0.396 0.065 2 0 "[ . 1 ]"
1 45 LYS 0.219 0.043 3 0 "[ . 1 ]"
1 48 LYS 0.262 0.113 1 0 "[ . 1 ]"
1 49 LYS 1.013 0.147 4 0 "[ . 1 ]"
1 50 GLY 0.051 0.038 1 0 "[ . 1 ]"
1 51 VAL 1.047 0.216 6 0 "[ . 1 ]"
1 52 GLU 0.083 0.028 7 0 "[ . 1 ]"
1 53 LYS 0.500 0.195 6 0 "[ . 1 ]"
1 54 TYR 1.306 0.109 7 0 "[ . 1 ]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 56 PRO 0.668 0.088 8 0 "[ . 1 ]"
1 57 GLU 0.115 0.030 4 0 "[ . 1 ]"
1 58 ALA 1.417 0.100 6 0 "[ . 1 ]"
1 59 SER 0.079 0.011 7 0 "[ . 1 ]"
1 60 ALA 0.047 0.026 11 0 "[ . 1 ]"
1 61 PHE 1.571 0.104 6 0 "[ . 1 ]"
1 62 THR 0.957 0.100 6 0 "[ . 1 ]"
1 63 LYS 1.305 0.122 11 0 "[ . 1 ]"
1 64 LYS 0.029 0.008 2 0 "[ . 1 ]"
1 65 MET 0.084 0.029 2 0 "[ . 1 ]"
1 66 VAL 0.038 0.025 2 0 "[ . 1 ]"
1 67 GLU 0.122 0.051 8 0 "[ . 1 ]"
1 68 ASN 0.002 0.002 7 0 "[ . 1 ]"
1 69 ALA 0.214 0.040 9 0 "[ . 1 ]"
1 70 LYS 0.013 0.007 4 0 "[ . 1 ]"
1 71 LYS 0.987 0.113 9 0 "[ . 1 ]"
1 72 ILE 0.338 0.174 9 0 "[ . 1 ]"
1 73 GLU 1.950 0.113 9 0 "[ . 1 ]"
1 74 VAL 0.419 0.033 12 0 "[ . 1 ]"
1 75 GLU 0.353 0.038 9 0 "[ . 1 ]"
1 76 PHE 1.571 0.101 10 0 "[ . 1 ]"
1 77 ASP 0.629 0.122 8 0 "[ . 1 ]"
1 78 LYS 0.220 0.045 9 0 "[ . 1 ]"
1 79 GLY 1.644 0.189 12 0 "[ . 1 ]"
1 80 GLN 0.371 0.073 12 0 "[ . 1 ]"
1 81 ARG 3.214 0.189 12 0 "[ . 1 ]"
1 82 THR 0.646 0.107 5 0 "[ . 1 ]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 85 TYR 1.620 0.177 9 0 "[ . 1 ]"
1 86 GLY 0.120 0.051 9 0 "[ . 1 ]"
1 87 ARG 2.344 0.279 12 0 "[ . 1 ]"
1 88 TRP 2.068 0.110 12 0 "[ . 1 ]"
1 89 LEU 3.456 0.167 12 0 "[ . 1 ]"
1 90 ALA 0.386 0.132 3 0 "[ . 1 ]"
1 91 TYR 0.615 0.057 11 0 "[ . 1 ]"
1 92 ILE 0.262 0.038 9 0 "[ . 1 ]"
1 93 TYR 2.077 0.174 9 0 "[ . 1 ]"
1 94 ALA 0.205 0.069 9 0 "[ . 1 ]"
1 95 ASP 0.091 0.019 1 0 "[ . 1 ]"
1 96 GLY 0.067 0.017 1 0 "[ . 1 ]"
1 97 LYS 0.013 0.010 12 0 "[ . 1 ]"
1 98 MET 0.086 0.020 1 0 "[ . 1 ]"
1 99 VAL 0.137 0.037 7 0 "[ . 1 ]"
1 101 GLU 0.405 0.073 8 0 "[ . 1 ]"
1 102 ALA 0.043 0.023 12 0 "[ . 1 ]"
1 103 LEU 1.009 0.109 7 0 "[ . 1 ]"
1 104 VAL 0.829 0.095 8 0 "[ . 1 ]"
1 105 ARG 0.901 0.102 2 0 "[ . 1 ]"
1 106 GLN 0.993 0.089 9 0 "[ . 1 ]"
1 107 GLY 0.423 0.095 7 0 "[ . 1 ]"
1 108 LEU 2.812 0.216 6 0 "[ . 1 ]"
1 109 ALA 0.581 0.095 8 0 "[ . 1 ]"
1 110 LYS 0.071 0.034 6 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LYS HB3 1 7 LEU H 4.100 . 4.900 4.843 4.692 4.906 0.006 10 0 "[ . 1 ]" 1
2 1 7 LEU HB2 1 76 PHE H 5.000 . 5.800 5.528 4.810 5.814 0.014 6 0 "[ . 1 ]" 1
3 1 7 LEU HB2 1 78 LYS H 5.000 . 5.800 4.997 3.860 5.804 0.004 2 0 "[ . 1 ]" 1
4 1 7 LEU MD1 1 76 PHE H 5.000 . 6.500 4.831 3.023 6.462 . 0 0 "[ . 1 ]" 1
5 1 7 LEU MD1 1 77 ASP H 5.000 . 6.500 4.724 3.145 6.305 . 0 0 "[ . 1 ]" 1
6 1 7 LEU MD2 1 77 ASP H 5.000 . 6.500 5.034 3.120 6.146 . 0 0 "[ . 1 ]" 1
7 1 7 LEU MD2 1 78 LYS H 5.000 . 6.500 5.114 1.999 6.508 0.008 4 0 "[ . 1 ]" 1
8 1 8 HIS H 1 75 GLU QG 5.000 . 6.500 5.997 5.520 6.507 0.007 8 0 "[ . 1 ]" 1
9 1 9 LYS HA 1 74 VAL H 5.000 . 5.800 4.854 3.941 5.432 . 0 0 "[ . 1 ]" 1
10 1 9 LYS HA 1 75 GLU H 5.000 . 5.800 5.342 4.810 5.814 0.014 5 0 "[ . 1 ]" 1
11 1 9 LYS HA 1 75 GLU HA 3.300 . 3.900 2.992 2.466 3.435 . 0 0 "[ . 1 ]" 1
12 1 9 LYS HA 1 76 PHE H 5.000 . 5.800 4.120 3.015 4.613 . 0 0 "[ . 1 ]" 1
13 1 9 LYS QB 1 74 VAL H 5.000 . 6.500 4.925 3.822 5.836 . 0 0 "[ . 1 ]" 1
14 1 9 LYS HE3 1 76 PHE H 3.800 . 4.400 4.355 3.925 4.451 0.051 8 0 "[ . 1 ]" 1
15 1 10 GLU H 1 27 TYR QE 5.000 . 6.500 5.344 4.508 6.177 . 0 0 "[ . 1 ]" 1
16 1 10 GLU H 1 73 GLU HA 5.000 . 5.800 4.930 4.434 5.523 . 0 0 "[ . 1 ]" 1
17 1 10 GLU H 1 73 GLU QG 5.000 . 6.500 4.408 2.928 6.286 . 0 0 "[ . 1 ]" 1
18 1 10 GLU H 1 74 VAL H 3.600 . 4.200 3.309 2.865 3.867 . 0 0 "[ . 1 ]" 1
19 1 10 GLU H 1 74 VAL MG1 5.000 . 6.500 4.631 2.730 5.248 . 0 0 "[ . 1 ]" 1
20 1 10 GLU H 1 74 VAL MG2 5.000 . 6.500 4.134 2.019 5.295 . 0 0 "[ . 1 ]" 1
21 1 10 GLU HA 1 27 TYR QE 4.800 . 6.300 5.051 4.612 5.604 . 0 0 "[ . 1 ]" 1
22 1 10 GLU HA 1 74 VAL H 5.000 . 5.800 4.704 4.412 4.914 . 0 0 "[ . 1 ]" 1
23 1 10 GLU HA 1 74 VAL MG1 4.900 . 6.400 6.120 4.004 6.431 0.031 10 0 "[ . 1 ]" 1
24 1 10 GLU HA 1 74 VAL MG2 5.000 . 6.500 5.310 3.979 6.522 0.022 12 0 "[ . 1 ]" 1
25 1 10 GLU HB2 1 25 LEU MD2 4.500 . 6.000 5.916 5.557 6.021 0.021 1 0 "[ . 1 ]" 1
26 1 10 GLU HB2 1 74 VAL H 5.000 . 5.800 4.474 3.953 5.011 . 0 0 "[ . 1 ]" 1
27 1 10 GLU HB2 1 74 VAL MG2 4.800 . 6.300 4.069 2.318 5.303 . 0 0 "[ . 1 ]" 1
28 1 10 GLU HB2 1 76 PHE QE 5.000 . 6.500 3.027 1.983 3.738 . 0 0 "[ . 1 ]" 1
29 1 10 GLU HB3 1 74 VAL MG2 5.000 . 6.500 4.465 3.242 5.236 . 0 0 "[ . 1 ]" 1
30 1 10 GLU HB3 1 76 PHE QE 5.000 . 6.500 3.850 3.060 5.040 . 0 0 "[ . 1 ]" 1
31 1 11 PRO HA 1 73 GLU H 3.900 . 4.500 4.538 4.512 4.603 0.103 7 0 "[ . 1 ]" 1
32 1 11 PRO HA 1 73 GLU HA 2.900 . 3.400 1.898 1.782 1.995 0.018 7 0 "[ . 1 ]" 1
33 1 11 PRO HA 1 73 GLU QB 4.000 . 5.500 3.781 3.384 4.182 . 0 0 "[ . 1 ]" 1
34 1 11 PRO HA 1 73 GLU QG 3.400 . 4.900 2.784 1.948 3.445 . 0 0 "[ . 1 ]" 1
35 1 11 PRO HA 1 74 VAL H 4.900 . 5.700 2.874 1.944 3.789 . 0 0 "[ . 1 ]" 1
36 1 11 PRO HB2 1 25 LEU MD2 5.000 . 6.500 6.530 6.501 6.543 0.043 6 0 "[ . 1 ]" 1
37 1 11 PRO HD2 1 27 TYR QE 5.000 . 6.500 5.576 5.254 5.976 . 0 0 "[ . 1 ]" 1
38 1 11 PRO HD3 1 27 TYR QE 5.000 . 6.500 6.482 6.176 6.531 0.031 3 0 "[ . 1 ]" 1
39 1 12 ALA H 1 72 ILE H 5.000 . 5.800 4.613 3.797 5.229 . 0 0 "[ . 1 ]" 1
40 1 12 ALA H 1 72 ILE MD 5.000 . 6.500 4.901 4.345 5.401 . 0 0 "[ . 1 ]" 1
41 1 12 ALA H 1 72 ILE MG 5.000 . 6.500 3.652 3.124 4.366 . 0 0 "[ . 1 ]" 1
42 1 12 ALA H 1 73 GLU HA 3.900 . 4.500 3.095 2.740 3.622 . 0 0 "[ . 1 ]" 1
43 1 12 ALA H 1 73 GLU QG 4.300 . 5.800 4.465 3.666 5.179 . 0 0 "[ . 1 ]" 1
44 1 12 ALA H 1 74 VAL H 5.000 . 5.800 3.899 3.250 5.325 . 0 0 "[ . 1 ]" 1
45 1 12 ALA H 1 74 VAL MG1 5.000 . 6.500 4.663 2.969 6.512 0.012 10 0 "[ . 1 ]" 1
46 1 12 ALA HA 1 25 LEU MD2 4.800 . 6.300 4.275 3.730 5.231 . 0 0 "[ . 1 ]" 1
47 1 12 ALA HA 1 26 MET H 5.000 . 5.800 4.879 4.480 5.259 . 0 0 "[ . 1 ]" 1
48 1 12 ALA MB 1 25 LEU MD2 3.700 . 5.200 2.010 1.745 2.630 0.055 6 0 "[ . 1 ]" 1
49 1 12 ALA MB 1 74 VAL MG2 3.900 . 5.400 2.592 1.948 4.552 . 0 0 "[ . 1 ]" 1
50 1 13 THR H 1 25 LEU HA 5.000 . 5.800 4.638 4.286 5.000 . 0 0 "[ . 1 ]" 1
51 1 13 THR H 1 25 LEU HB3 5.000 . 5.800 5.158 4.678 5.821 0.021 10 0 "[ . 1 ]" 1
52 1 13 THR H 1 25 LEU MD1 5.000 . 6.500 5.099 3.567 6.484 . 0 0 "[ . 1 ]" 1
53 1 13 THR H 1 25 LEU MD2 5.000 . 6.500 4.274 3.558 5.280 . 0 0 "[ . 1 ]" 1
54 1 13 THR H 1 26 MET H 3.900 . 4.500 3.086 2.440 3.515 . 0 0 "[ . 1 ]" 1
55 1 13 THR H 1 26 MET HA 5.000 . 5.800 4.612 4.070 5.211 . 0 0 "[ . 1 ]" 1
56 1 13 THR H 1 26 MET HB2 4.600 . 5.400 3.493 2.807 4.222 . 0 0 "[ . 1 ]" 1
57 1 13 THR H 1 26 MET HB3 4.400 . 5.200 2.833 2.093 4.191 . 0 0 "[ . 1 ]" 1
58 1 13 THR H 1 26 MET HG2 5.000 . 5.800 4.684 1.923 5.433 . 0 0 "[ . 1 ]" 1
59 1 13 THR H 1 72 ILE MG 5.000 . 6.500 5.049 4.697 5.554 . 0 0 "[ . 1 ]" 1
60 1 13 THR MG 1 26 MET H 5.000 . 6.500 4.222 2.808 5.049 . 0 0 "[ . 1 ]" 1
61 1 14 LEU H 1 24 LYS QG 5.000 . 6.500 6.560 6.522 6.610 0.110 11 0 "[ . 1 ]" 1
62 1 14 LEU H 1 25 LEU HA 5.000 . 5.800 4.121 3.900 4.289 . 0 0 "[ . 1 ]" 1
63 1 14 LEU H 1 25 LEU HB3 5.000 . 5.800 4.923 3.342 5.845 0.045 10 0 "[ . 1 ]" 1
64 1 14 LEU H 1 26 MET H 5.000 . 5.800 4.423 4.239 4.790 . 0 0 "[ . 1 ]" 1
65 1 14 LEU H 1 72 ILE MD 4.800 . 6.300 2.977 1.968 3.993 . 0 0 "[ . 1 ]" 1
66 1 14 LEU HA 1 16 LYS H 5.000 . 5.800 3.973 3.529 4.080 . 0 0 "[ . 1 ]" 1
67 1 14 LEU HA 1 25 LEU HA 3.200 . 3.800 1.885 1.754 2.093 0.046 3 0 "[ . 1 ]" 1
68 1 14 LEU HA 1 26 MET H 4.600 . 5.400 3.277 3.021 3.567 . 0 0 "[ . 1 ]" 1
69 1 14 LEU HB3 1 26 MET H 5.000 . 5.800 5.831 5.655 5.890 0.090 12 0 "[ . 1 ]" 1
70 1 14 LEU MD1 1 16 LYS H 4.800 . 6.300 3.419 1.921 4.563 . 0 0 "[ . 1 ]" 1
71 1 14 LEU MD1 1 17 ALA H 5.000 . 6.500 4.430 3.590 5.219 . 0 0 "[ . 1 ]" 1
72 1 14 LEU MD1 1 25 LEU MD2 4.100 . 5.600 4.056 3.153 5.287 . 0 0 "[ . 1 ]" 1
73 1 14 LEU MD2 1 17 ALA H 5.000 . 6.500 4.202 3.296 5.638 . 0 0 "[ . 1 ]" 1
74 1 15 ILE H 1 24 LYS H 5.000 . 5.800 4.528 3.959 4.835 . 0 0 "[ . 1 ]" 1
75 1 15 ILE H 1 25 LEU H 5.000 . 5.800 4.723 4.389 5.345 . 0 0 "[ . 1 ]" 1
76 1 15 ILE H 1 25 LEU HA 3.400 . 4.000 3.001 2.588 3.171 . 0 0 "[ . 1 ]" 1
77 1 15 ILE H 1 25 LEU HB3 5.000 . 5.800 5.188 3.961 5.869 0.069 6 0 "[ . 1 ]" 1
78 1 15 ILE H 1 26 MET H 5.000 . 5.800 3.958 3.510 4.486 . 0 0 "[ . 1 ]" 1
79 1 15 ILE HA 1 25 LEU HA 5.000 . 5.800 5.599 4.907 5.847 0.047 7 0 "[ . 1 ]" 1
80 1 15 ILE MD 1 63 LYS H 5.000 . 6.500 6.567 6.506 6.622 0.122 11 0 "[ . 1 ]" 1
81 1 15 ILE HG13 1 25 LEU HA 3.800 . 4.400 4.270 4.011 4.455 0.055 7 0 "[ . 1 ]" 1
82 1 15 ILE HG13 1 26 MET H 5.000 . 5.800 5.263 4.791 5.819 0.019 2 0 "[ . 1 ]" 1
83 1 16 LYS H 1 23 VAL HA 5.000 . 5.800 5.062 4.310 5.402 . 0 0 "[ . 1 ]" 1
84 1 16 LYS H 1 23 VAL HB 3.900 . 4.500 4.457 4.375 4.529 0.029 3 0 "[ . 1 ]" 1
85 1 16 LYS H 1 24 LYS H 4.400 . 4.500 3.293 3.024 3.537 . 0 0 "[ . 1 ]" 1
86 1 16 LYS H 1 24 LYS HA 5.000 . 5.800 5.234 5.140 5.288 . 0 0 "[ . 1 ]" 1
87 1 16 LYS H 1 24 LYS HB3 3.900 . 4.500 3.086 2.656 4.193 . 0 0 "[ . 1 ]" 1
88 1 16 LYS H 1 24 LYS QG 3.600 . 5.100 3.793 2.502 4.130 . 0 0 "[ . 1 ]" 1
89 1 16 LYS H 1 25 LEU H 5.000 . 5.800 5.809 5.493 5.865 0.065 11 0 "[ . 1 ]" 1
90 1 16 LYS H 1 25 LEU HA 5.000 . 5.800 4.968 4.132 5.166 . 0 0 "[ . 1 ]" 1
91 1 17 ALA H 1 24 LYS H 5.000 . 5.800 5.144 4.677 5.400 . 0 0 "[ . 1 ]" 1
92 1 17 ALA H 1 63 LYS HA 5.000 . 5.800 4.512 3.816 5.814 0.014 7 0 "[ . 1 ]" 1
93 1 17 ALA H 1 63 LYS QB 5.000 . 6.500 2.755 2.142 5.522 . 0 0 "[ . 1 ]" 1
94 1 17 ALA H 1 63 LYS QE 5.000 . 6.500 4.870 3.375 6.347 . 0 0 "[ . 1 ]" 1
95 1 17 ALA H 1 63 LYS HG2 3.900 . 4.500 4.525 4.503 4.557 0.057 8 0 "[ . 1 ]" 1
96 1 17 ALA MB 1 24 LYS H 4.600 . 6.100 4.826 4.566 5.155 . 0 0 "[ . 1 ]" 1
97 1 18 ILE H 1 20 GLY H 5.000 . 5.800 3.543 3.131 4.176 . 0 0 "[ . 1 ]" 1
98 1 18 ILE H 1 22 THR HB 5.000 . 5.800 4.050 3.459 4.697 . 0 0 "[ . 1 ]" 1
99 1 18 ILE H 1 22 THR MG 5.000 . 6.500 4.807 3.547 5.465 . 0 0 "[ . 1 ]" 1
100 1 18 ILE H 1 23 VAL H 5.000 . 5.800 4.615 4.430 4.862 . 0 0 "[ . 1 ]" 1
101 1 18 ILE H 1 23 VAL HA 3.900 . 4.500 2.621 2.301 2.919 . 0 0 "[ . 1 ]" 1
102 1 18 ILE H 1 23 VAL HB 5.000 . 5.800 4.513 3.960 5.334 . 0 0 "[ . 1 ]" 1
103 1 18 ILE H 1 24 LYS H 5.000 . 5.800 4.373 3.877 4.924 . 0 0 "[ . 1 ]" 1
104 1 18 ILE HB 1 21 ASP H 5.000 . 5.800 5.464 5.102 5.731 . 0 0 "[ . 1 ]" 1
105 1 18 ILE HB 1 22 THR H 5.000 . 5.800 4.111 3.751 4.401 . 0 0 "[ . 1 ]" 1
106 1 18 ILE HB 1 24 LYS H 5.000 . 5.800 5.741 5.347 5.830 0.030 11 0 "[ . 1 ]" 1
107 1 18 ILE MD 1 22 THR HA 4.800 . 6.300 4.372 3.615 6.294 . 0 0 "[ . 1 ]" 1
108 1 18 ILE HG13 1 23 VAL H 5.000 . 5.800 5.198 4.659 5.804 0.004 2 0 "[ . 1 ]" 1
109 1 18 ILE HG13 1 24 LYS H 5.000 . 5.800 3.916 3.100 5.041 . 0 0 "[ . 1 ]" 1
110 1 18 ILE MG 1 20 GLY H 5.000 . 6.500 4.768 4.655 4.888 . 0 0 "[ . 1 ]" 1
111 1 18 ILE MG 1 22 THR H 5.000 . 6.500 5.007 4.592 5.421 . 0 0 "[ . 1 ]" 1
112 1 19 ASP H 1 21 ASP H 5.000 . 5.800 3.797 3.573 3.979 . 0 0 "[ . 1 ]" 1
113 1 19 ASP H 1 22 THR H 3.800 . 4.400 3.103 2.806 3.617 . 0 0 "[ . 1 ]" 1
114 1 19 ASP H 1 22 THR HB 3.600 . 4.200 3.002 1.991 4.208 0.008 6 0 "[ . 1 ]" 1
115 1 19 ASP H 1 22 THR MG 3.900 . 5.400 4.054 3.275 4.808 . 0 0 "[ . 1 ]" 1
116 1 19 ASP HA 1 21 ASP H 5.000 . 5.800 4.518 4.448 4.576 . 0 0 "[ . 1 ]" 1
117 1 19 ASP HA 1 22 THR H 5.000 . 5.800 5.110 4.758 5.679 . 0 0 "[ . 1 ]" 1
118 1 19 ASP QB 1 21 ASP H 5.000 . 6.500 3.337 3.088 3.506 . 0 0 "[ . 1 ]" 1
119 1 19 ASP QB 1 22 THR H 5.000 . 6.500 3.198 2.973 3.505 . 0 0 "[ . 1 ]" 1
120 1 20 GLY H 1 22 THR H 5.000 . 5.800 4.268 3.924 4.743 . 0 0 "[ . 1 ]" 1
121 1 20 GLY H 1 58 ALA MB 5.000 . 6.500 3.703 3.006 4.967 . 0 0 "[ . 1 ]" 1
122 1 20 GLY H 1 59 SER H 5.000 . 5.800 5.226 4.751 5.693 . 0 0 "[ . 1 ]" 1
123 1 20 GLY H 1 59 SER HA 4.100 . 4.900 4.615 4.035 4.907 0.007 2 0 "[ . 1 ]" 1
124 1 20 GLY H 1 59 SER HB2 5.000 . 5.800 5.295 4.140 5.810 0.010 9 0 "[ . 1 ]" 1
125 1 20 GLY H 1 59 SER HB3 5.000 . 5.800 5.206 3.346 5.803 0.003 7 0 "[ . 1 ]" 1
126 1 20 GLY HA2 1 59 SER H 5.000 . 5.800 4.255 3.556 4.785 . 0 0 "[ . 1 ]" 1
127 1 20 GLY HA3 1 22 THR H 5.000 . 5.800 4.802 4.438 5.299 . 0 0 "[ . 1 ]" 1
128 1 20 GLY HA3 1 59 SER H 5.000 . 5.800 5.450 4.817 5.811 0.011 7 0 "[ . 1 ]" 1
129 1 21 ASP H 1 23 VAL MG1 5.000 . 6.500 4.523 4.063 4.973 . 0 0 "[ . 1 ]" 1
130 1 21 ASP H 1 36 LEU H 5.000 . 5.800 5.789 5.625 5.835 0.035 7 0 "[ . 1 ]" 1
131 1 21 ASP HA 1 23 VAL MG2 3.400 . 4.900 4.597 4.334 4.882 . 0 0 "[ . 1 ]" 1
132 1 21 ASP HA 1 36 LEU H 5.000 . 5.800 3.427 3.083 3.768 . 0 0 "[ . 1 ]" 1
133 1 21 ASP HB2 1 36 LEU H 4.500 . 5.300 4.462 2.860 5.039 . 0 0 "[ . 1 ]" 1
134 1 21 ASP HB3 1 36 LEU H 5.000 . 5.800 3.189 2.479 4.109 . 0 0 "[ . 1 ]" 1
135 1 22 THR H 1 36 LEU H 5.000 . 5.800 5.247 5.008 5.574 . 0 0 "[ . 1 ]" 1
136 1 22 THR HA 1 35 ARG HA 3.300 . 3.400 2.805 2.162 3.444 0.044 2 0 "[ . 1 ]" 1
137 1 22 THR HA 1 35 ARG HB2 3.100 . 3.700 2.968 2.145 3.727 0.027 2 0 "[ . 1 ]" 1
138 1 22 THR HA 1 35 ARG QD 4.500 . 6.000 4.869 3.251 5.991 . 0 0 "[ . 1 ]" 1
139 1 22 THR HA 1 36 LEU H 5.000 . 5.800 4.586 3.943 5.143 . 0 0 "[ . 1 ]" 1
140 1 22 THR MG 1 35 ARG HA 4.200 . 5.700 4.006 2.855 4.724 . 0 0 "[ . 1 ]" 1
141 1 22 THR MG 1 36 LEU H 5.000 . 6.500 5.684 4.499 6.362 . 0 0 "[ . 1 ]" 1
142 1 23 VAL H 1 34 PHE QB 5.000 . 6.500 3.616 3.084 4.270 . 0 0 "[ . 1 ]" 1
143 1 23 VAL H 1 34 PHE QD 5.000 . 6.500 4.575 3.727 5.162 . 0 0 "[ . 1 ]" 1
144 1 23 VAL H 1 35 ARG HA 5.000 . 5.800 3.704 2.987 4.392 . 0 0 "[ . 1 ]" 1
145 1 23 VAL H 1 36 LEU H 5.000 . 5.800 4.986 4.197 5.510 . 0 0 "[ . 1 ]" 1
146 1 23 VAL HB 1 25 LEU MD2 5.000 . 6.500 5.525 4.295 6.516 0.016 10 0 "[ . 1 ]" 1
147 1 23 VAL MG1 1 34 PHE H 5.000 . 6.500 4.849 4.616 5.118 . 0 0 "[ . 1 ]" 1
148 1 23 VAL MG1 1 35 ARG HA 4.300 . 5.800 4.769 4.281 5.472 . 0 0 "[ . 1 ]" 1
149 1 23 VAL MG2 1 33 THR H 5.000 . 6.500 6.463 6.271 6.534 0.034 11 0 "[ . 1 ]" 1
150 1 24 LYS H 1 33 THR MG 5.000 . 6.500 4.058 3.262 4.657 . 0 0 "[ . 1 ]" 1
151 1 24 LYS HA 1 33 THR HA 2.700 . 3.200 2.341 1.984 2.712 . 0 0 "[ . 1 ]" 1
152 1 24 LYS HA 1 33 THR HB 4.100 . 4.900 4.884 4.431 4.956 0.056 11 0 "[ . 1 ]" 1
153 1 24 LYS QE 1 32 MET H 5.000 . 6.500 4.882 3.594 6.172 . 0 0 "[ . 1 ]" 1
154 1 24 LYS QG 1 26 MET H 5.000 . 6.500 4.119 3.791 4.549 . 0 0 "[ . 1 ]" 1
155 1 25 LEU H 1 33 THR MG 5.000 . 6.500 4.673 4.040 5.399 . 0 0 "[ . 1 ]" 1
156 1 25 LEU H 1 34 PHE H 4.900 . 5.700 4.675 4.127 5.163 . 0 0 "[ . 1 ]" 1
157 1 25 LEU H 1 34 PHE QD 5.000 . 6.500 3.299 2.988 3.686 . 0 0 "[ . 1 ]" 1
158 1 25 LEU HA 1 34 PHE QD 5.000 . 6.500 5.134 4.631 5.709 . 0 0 "[ . 1 ]" 1
159 1 25 LEU HA 1 34 PHE QE 5.000 . 6.500 4.728 4.185 5.202 . 0 0 "[ . 1 ]" 1
160 1 25 LEU HB2 1 34 PHE QD 3.900 . 5.400 3.664 1.928 5.524 0.124 2 0 "[ . 1 ]" 1
161 1 25 LEU HB2 1 34 PHE QE 3.500 . 5.000 3.377 2.195 4.608 . 0 0 "[ . 1 ]" 1
162 1 25 LEU HB3 1 34 PHE HZ 4.500 . 5.300 4.684 3.789 5.475 0.175 2 0 "[ . 1 ]" 1
163 1 25 LEU HB3 1 74 VAL MG2 5.000 . 6.500 4.421 3.504 6.510 0.010 9 0 "[ . 1 ]" 1
164 1 25 LEU MD1 1 27 TYR H 5.000 . 6.500 4.852 2.825 6.343 . 0 0 "[ . 1 ]" 1
165 1 25 LEU MD1 1 27 TYR QD 4.600 . 6.100 4.218 2.684 5.201 . 0 0 "[ . 1 ]" 1
166 1 25 LEU MD1 1 27 TYR QE 5.000 . 6.500 5.804 4.632 6.533 0.033 4 0 "[ . 1 ]" 1
167 1 25 LEU MD1 1 32 MET H 4.600 . 6.100 4.300 2.840 5.942 . 0 0 "[ . 1 ]" 1
168 1 25 LEU MD1 1 34 PHE QD 4.700 . 6.200 3.096 1.910 4.777 . 0 0 "[ . 1 ]" 1
169 1 25 LEU MD1 1 34 PHE QE 5.000 . 6.500 2.922 1.939 4.576 . 0 0 "[ . 1 ]" 1
170 1 25 LEU MD1 1 76 PHE H 5.000 . 6.500 6.552 6.529 6.601 0.101 10 0 "[ . 1 ]" 1
171 1 25 LEU MD2 1 27 TYR HA 4.800 . 6.300 4.525 2.708 4.965 . 0 0 "[ . 1 ]" 1
172 1 25 LEU MD2 1 27 TYR HB3 5.000 . 6.500 5.648 3.781 6.254 . 0 0 "[ . 1 ]" 1
173 1 25 LEU MD2 1 27 TYR QD 4.400 . 5.900 4.251 2.973 4.786 . 0 0 "[ . 1 ]" 1
174 1 25 LEU MD2 1 27 TYR QE 4.600 . 6.100 5.761 4.701 6.139 0.039 9 0 "[ . 1 ]" 1
175 1 25 LEU MD2 1 34 PHE H 5.000 . 6.500 5.706 5.073 6.202 . 0 0 "[ . 1 ]" 1
176 1 25 LEU MD2 1 34 PHE HA 5.000 . 6.500 6.302 5.725 6.582 0.082 1 0 "[ . 1 ]" 1
177 1 25 LEU MD2 1 34 PHE QB 4.700 . 6.200 4.097 3.583 4.730 . 0 0 "[ . 1 ]" 1
178 1 25 LEU MD2 1 34 PHE QD 4.300 . 5.800 3.807 3.320 4.152 . 0 0 "[ . 1 ]" 1
179 1 25 LEU MD2 1 34 PHE QE 4.500 . 6.000 3.530 2.603 4.080 . 0 0 "[ . 1 ]" 1
180 1 25 LEU MD2 1 34 PHE HZ 4.500 . 6.000 3.936 2.946 4.840 . 0 0 "[ . 1 ]" 1
181 1 25 LEU MD2 1 73 GLU H 5.000 . 6.500 6.203 5.819 6.576 0.076 10 0 "[ . 1 ]" 1
182 1 25 LEU MD2 1 74 VAL HB 3.600 . 5.100 3.521 2.899 4.099 . 0 0 "[ . 1 ]" 1
183 1 25 LEU MD2 1 76 PHE H 5.000 . 6.500 6.092 5.540 6.530 0.030 4 0 "[ . 1 ]" 1
184 1 25 LEU MD2 1 92 ILE HA 4.700 . 6.200 4.194 3.588 5.807 . 0 0 "[ . 1 ]" 1
185 1 25 LEU MD2 1 92 ILE MD 4.000 . 5.500 3.644 2.407 5.255 . 0 0 "[ . 1 ]" 1
186 1 25 LEU HG 1 34 PHE QE 3.400 . 4.900 3.668 1.789 4.932 0.032 8 0 "[ . 1 ]" 1
187 1 26 MET HA 1 31 PRO HB3 3.100 . 3.700 2.358 1.946 2.715 . 0 0 "[ . 1 ]" 1
188 1 26 MET HA 1 31 PRO HD2 3.700 . 4.300 4.420 4.374 4.492 0.192 12 0 "[ . 1 ]" 1
189 1 26 MET HA 1 31 PRO QG 3.400 . 4.900 2.692 2.309 3.761 . 0 0 "[ . 1 ]" 1
190 1 26 MET HB3 1 30 GLN H 5.000 . 5.800 5.516 4.298 5.823 0.023 2 0 "[ . 1 ]" 1
191 1 26 MET HG2 1 29 GLY H 4.500 . 5.300 3.666 2.327 5.321 0.021 10 0 "[ . 1 ]" 1
192 1 26 MET HG3 1 29 GLY H 5.000 . 5.800 4.564 3.594 5.816 0.016 12 0 "[ . 1 ]" 1
193 1 27 TYR H 1 29 GLY H 5.000 . 5.800 4.325 3.943 4.700 . 0 0 "[ . 1 ]" 1
194 1 27 TYR H 1 30 GLN H 3.900 . 4.300 3.579 3.249 3.707 . 0 0 "[ . 1 ]" 1
195 1 27 TYR H 1 31 PRO HB2 5.000 . 5.800 4.730 4.600 4.906 . 0 0 "[ . 1 ]" 1
196 1 27 TYR H 1 32 MET H 5.000 . 5.200 3.237 2.870 3.553 . 0 0 "[ . 1 ]" 1
197 1 27 TYR H 1 32 MET HG2 5.000 . 5.800 4.787 3.798 5.821 0.021 1 0 "[ . 1 ]" 1
198 1 27 TYR H 1 32 MET HG3 4.800 . 5.600 4.726 3.598 5.603 0.003 4 0 "[ . 1 ]" 1
199 1 27 TYR HA 1 29 GLY H 5.000 . 5.800 4.119 3.792 4.384 . 0 0 "[ . 1 ]" 1
200 1 27 TYR HA 1 30 GLN HE22 4.300 . 5.100 5.113 4.946 5.226 0.126 9 0 "[ . 1 ]" 1
201 1 27 TYR HB2 1 34 PHE QE 3.800 . 5.300 3.458 3.037 3.917 . 0 0 "[ . 1 ]" 1
202 1 27 TYR HB2 1 34 PHE HZ 3.700 . 4.300 2.712 2.281 3.384 . 0 0 "[ . 1 ]" 1
203 1 27 TYR HB3 1 31 PRO HA 3.100 . 3.700 3.730 3.703 3.764 0.064 2 0 "[ . 1 ]" 1
204 1 27 TYR HB3 1 34 PHE QE 4.300 . 5.800 4.445 4.097 4.779 . 0 0 "[ . 1 ]" 1
205 1 27 TYR HB3 1 34 PHE HZ 3.800 . 4.400 3.882 3.430 4.411 0.011 12 0 "[ . 1 ]" 1
206 1 27 TYR QD 1 30 GLN QB 3.900 . 5.400 3.711 3.138 4.154 . 0 0 "[ . 1 ]" 1
207 1 27 TYR QD 1 34 PHE QE 5.000 . 6.500 3.730 3.302 4.479 . 0 0 "[ . 1 ]" 1
208 1 27 TYR QD 1 34 PHE HZ 4.300 . 5.800 2.879 1.990 4.089 . 0 0 "[ . 1 ]" 1
209 1 27 TYR QE 1 30 GLN QB 3.900 . 5.400 5.323 4.915 5.498 0.098 8 0 "[ . 1 ]" 1
210 1 27 TYR QE 1 30 GLN QG 3.900 . 5.400 5.307 3.621 5.492 0.092 4 0 "[ . 1 ]" 1
211 1 27 TYR QE 1 32 MET HG3 4.700 . 6.200 5.778 4.511 6.211 0.011 3 0 "[ . 1 ]" 1
212 1 27 TYR QE 1 74 VAL MG2 5.000 . 6.500 4.836 3.652 5.940 . 0 0 "[ . 1 ]" 1
213 1 27 TYR QE 1 76 PHE QE 3.900 . 5.300 2.259 1.967 2.494 . 0 0 "[ . 1 ]" 1
214 1 27 TYR QE 1 89 LEU MD1 4.900 . 6.400 6.458 6.423 6.485 0.085 2 0 "[ . 1 ]" 1
215 1 28 LYS H 1 30 GLN H 5.000 . 5.800 4.081 3.826 4.202 . 0 0 "[ . 1 ]" 1
216 1 28 LYS HB2 1 30 GLN H 5.000 . 5.800 4.364 3.810 5.019 . 0 0 "[ . 1 ]" 1
217 1 28 LYS HB3 1 30 GLN H 5.000 . 5.800 3.862 3.634 4.268 . 0 0 "[ . 1 ]" 1
218 1 30 GLN HE21 1 32 MET HG2 4.500 . 5.300 3.583 1.985 5.308 0.008 9 0 "[ . 1 ]" 1
219 1 32 MET H 1 34 PHE QE 5.000 . 6.500 2.691 2.430 3.025 . 0 0 "[ . 1 ]" 1
220 1 32 MET HA 1 34 PHE QE 5.000 . 6.500 4.270 3.985 4.767 . 0 0 "[ . 1 ]" 1
221 1 32 MET HA 1 34 PHE HZ 5.000 . 5.800 5.638 5.091 5.859 0.059 6 0 "[ . 1 ]" 1
222 1 32 MET HA 1 85 TYR HB3 2.800 . 3.300 3.366 3.343 3.415 0.115 12 0 "[ . 1 ]" 1
223 1 32 MET HA 1 88 TRP HD1 4.500 . 5.300 4.823 4.315 5.142 . 0 0 "[ . 1 ]" 1
224 1 32 MET HA 1 88 TRP HE1 5.000 . 5.800 5.640 5.053 5.838 0.038 12 0 "[ . 1 ]" 1
225 1 32 MET HB2 1 34 PHE QD 3.500 . 5.000 4.110 3.837 4.370 . 0 0 "[ . 1 ]" 1
226 1 32 MET HB2 1 34 PHE HZ 3.400 . 4.000 2.761 2.485 2.970 . 0 0 "[ . 1 ]" 1
227 1 32 MET HB2 1 88 TRP HD1 4.100 . 4.900 3.895 3.164 4.627 . 0 0 "[ . 1 ]" 1
228 1 32 MET HB2 1 88 TRP HE1 5.000 . 5.800 4.843 4.224 5.456 . 0 0 "[ . 1 ]" 1
229 1 32 MET HB3 1 34 PHE QE 3.800 . 5.300 3.539 2.616 4.265 . 0 0 "[ . 1 ]" 1
230 1 32 MET HB3 1 34 PHE HZ 3.600 . 4.200 4.108 3.527 4.233 0.033 2 0 "[ . 1 ]" 1
231 1 32 MET HB3 1 88 TRP HD1 3.800 . 4.400 2.643 1.948 3.059 . 0 0 "[ . 1 ]" 1
232 1 32 MET HB3 1 88 TRP HE1 5.000 . 5.800 3.665 3.340 4.119 . 0 0 "[ . 1 ]" 1
233 1 32 MET HG2 1 34 PHE QE 4.800 . 6.300 4.700 4.022 5.359 . 0 0 "[ . 1 ]" 1
234 1 32 MET HG2 1 34 PHE HZ 4.500 . 5.300 5.046 3.811 5.362 0.062 1 0 "[ . 1 ]" 1
235 1 32 MET HG2 1 88 TRP HD1 4.800 . 5.600 5.103 4.463 5.603 0.003 8 0 "[ . 1 ]" 1
236 1 32 MET HG2 1 88 TRP HE1 5.000 . 5.800 4.901 4.263 5.575 . 0 0 "[ . 1 ]" 1
237 1 32 MET HG3 1 34 PHE QE 5.000 . 6.500 4.283 3.934 4.785 . 0 0 "[ . 1 ]" 1
238 1 32 MET HG3 1 34 PHE HZ 4.600 . 5.400 4.141 3.573 4.729 . 0 0 "[ . 1 ]" 1
239 1 32 MET HG3 1 88 TRP HD1 4.800 . 5.600 4.753 3.347 5.615 0.015 2 0 "[ . 1 ]" 1
240 1 32 MET HG3 1 88 TRP HE1 5.000 . 5.800 4.449 2.741 5.621 . 0 0 "[ . 1 ]" 1
241 1 33 THR H 1 88 TRP HD1 4.800 . 5.600 3.815 2.988 4.280 . 0 0 "[ . 1 ]" 1
242 1 33 THR H 1 88 TRP HE1 5.000 . 5.800 5.442 4.818 5.814 0.014 1 0 "[ . 1 ]" 1
243 1 33 THR HB 1 88 TRP H 5.000 . 5.800 4.276 3.433 4.754 . 0 0 "[ . 1 ]" 1
244 1 33 THR HB 1 88 TRP HD1 4.700 . 5.500 5.263 4.034 5.532 0.032 7 0 "[ . 1 ]" 1
245 1 33 THR MG 1 35 ARG H 5.000 . 6.500 5.536 4.264 6.537 0.037 3 0 "[ . 1 ]" 1
246 1 33 THR MG 1 87 ARG H 5.000 . 6.500 5.045 4.044 5.939 . 0 0 "[ . 1 ]" 1
247 1 34 PHE H 1 87 ARG HD3 5.000 . 5.800 5.573 3.984 6.079 0.279 12 0 "[ . 1 ]" 1
248 1 34 PHE H 1 87 ARG QG 5.000 . 6.500 5.855 3.967 6.542 0.042 6 0 "[ . 1 ]" 1
249 1 34 PHE HA 1 88 TRP H 3.800 . 4.400 1.891 1.690 1.973 0.110 12 0 "[ . 1 ]" 1
250 1 34 PHE HA 1 88 TRP HB2 3.500 . 4.100 2.801 2.638 3.067 . 0 0 "[ . 1 ]" 1
251 1 34 PHE HA 1 88 TRP HB3 3.400 . 4.000 4.005 3.842 4.076 0.076 4 0 "[ . 1 ]" 1
252 1 34 PHE HA 1 88 TRP HD1 4.700 . 5.400 4.366 3.820 4.973 . 0 0 "[ . 1 ]" 1
253 1 34 PHE HA 1 92 ILE MD 5.000 . 6.500 5.432 4.801 5.788 . 0 0 "[ . 1 ]" 1
254 1 34 PHE QB 1 37 LEU MD1 4.000 . 5.500 4.762 3.992 5.514 0.014 5 0 "[ . 1 ]" 1
255 1 34 PHE QB 1 74 VAL MG2 5.000 . 6.500 4.987 3.869 6.297 . 0 0 "[ . 1 ]" 1
256 1 34 PHE QB 1 76 PHE QE 5.000 . 6.500 6.545 6.507 6.580 0.080 10 0 "[ . 1 ]" 1
257 1 34 PHE QB 1 88 TRP H 5.000 . 6.500 3.889 3.749 3.975 . 0 0 "[ . 1 ]" 1
258 1 34 PHE QB 1 90 ALA H 5.000 . 6.500 3.988 3.586 4.419 . 0 0 "[ . 1 ]" 1
259 1 34 PHE QD 1 36 LEU MD2 5.000 . 6.500 5.809 4.613 6.386 . 0 0 "[ . 1 ]" 1
260 1 34 PHE QD 1 37 LEU MD1 5.000 . 6.500 6.049 5.240 6.507 0.007 12 0 "[ . 1 ]" 1
261 1 34 PHE QD 1 74 VAL MG2 5.000 . 6.500 4.515 3.368 5.564 . 0 0 "[ . 1 ]" 1
262 1 34 PHE QD 1 76 PHE QE 5.000 . 6.500 4.885 4.702 4.980 . 0 0 "[ . 1 ]" 1
263 1 34 PHE QD 1 87 ARG HD2 5.000 . 6.500 6.292 5.190 6.629 0.129 10 0 "[ . 1 ]" 1
264 1 34 PHE QD 1 88 TRP H 5.000 . 6.500 4.014 3.704 4.226 . 0 0 "[ . 1 ]" 1
265 1 34 PHE QD 1 88 TRP HA 5.000 . 6.500 4.541 4.288 4.838 . 0 0 "[ . 1 ]" 1
266 1 34 PHE QD 1 88 TRP HB2 3.700 . 5.200 2.678 2.405 3.053 . 0 0 "[ . 1 ]" 1
267 1 34 PHE QD 1 88 TRP HB3 3.800 . 5.300 2.671 2.288 2.974 . 0 0 "[ . 1 ]" 1
268 1 34 PHE QD 1 88 TRP HE3 5.000 . 6.500 4.809 4.488 5.069 . 0 0 "[ . 1 ]" 1
269 1 34 PHE QD 1 89 LEU HA 5.000 . 6.500 4.253 3.994 4.416 . 0 0 "[ . 1 ]" 1
270 1 34 PHE QD 1 89 LEU HB3 4.100 . 5.600 5.642 5.581 5.706 0.106 4 0 "[ . 1 ]" 1
271 1 34 PHE QD 1 90 ALA H 5.000 . 6.500 4.542 4.207 4.805 . 0 0 "[ . 1 ]" 1
272 1 34 PHE QD 1 90 ALA MB 3.900 . 5.400 2.158 1.927 2.476 . 0 0 "[ . 1 ]" 1
273 1 34 PHE QE 1 74 VAL MG2 5.000 . 6.500 4.070 3.314 4.691 . 0 0 "[ . 1 ]" 1
274 1 34 PHE QE 1 76 PHE QD 5.000 . 6.300 2.486 2.139 3.172 . 0 0 "[ . 1 ]" 1
275 1 34 PHE QE 1 76 PHE QE 4.400 . 5.900 3.266 2.952 3.518 . 0 0 "[ . 1 ]" 1
276 1 34 PHE QE 1 88 TRP HB2 4.300 . 5.800 3.182 2.904 3.585 . 0 0 "[ . 1 ]" 1
277 1 34 PHE QE 1 88 TRP HB3 4.400 . 5.900 3.002 2.496 3.409 . 0 0 "[ . 1 ]" 1
278 1 34 PHE QE 1 88 TRP HD1 5.000 . 6.500 4.615 3.838 5.210 . 0 0 "[ . 1 ]" 1
279 1 34 PHE QE 1 88 TRP HZ3 5.000 . 6.500 6.106 5.727 6.525 0.025 7 0 "[ . 1 ]" 1
280 1 34 PHE QE 1 89 LEU MD1 4.500 . 6.000 4.232 3.658 4.485 . 0 0 "[ . 1 ]" 1
281 1 34 PHE QE 1 90 ALA MB 5.000 . 6.500 3.490 2.945 3.817 . 0 0 "[ . 1 ]" 1
282 1 34 PHE QE 1 92 ILE MD 5.000 . 6.500 5.535 4.761 6.152 . 0 0 "[ . 1 ]" 1
283 1 34 PHE HZ 1 74 VAL MG2 4.800 . 6.300 4.638 4.223 5.169 . 0 0 "[ . 1 ]" 1
284 1 34 PHE HZ 1 76 PHE QD 4.800 . 6.300 4.597 4.222 5.351 . 0 0 "[ . 1 ]" 1
285 1 34 PHE HZ 1 76 PHE QE 3.900 . 5.400 4.331 3.829 5.244 . 0 0 "[ . 1 ]" 1
286 1 34 PHE HZ 1 88 TRP HB2 4.800 . 5.600 4.192 3.785 4.548 . 0 0 "[ . 1 ]" 1
287 1 34 PHE HZ 1 88 TRP HB3 4.700 . 5.500 4.773 4.168 5.383 . 0 0 "[ . 1 ]" 1
288 1 35 ARG H 1 87 ARG HB2 5.000 . 5.800 5.242 2.949 5.805 0.005 2 0 "[ . 1 ]" 1
289 1 35 ARG H 1 88 TRP H 4.800 . 5.600 3.038 2.791 3.411 . 0 0 "[ . 1 ]" 1
290 1 35 ARG H 1 88 TRP HB2 5.000 . 5.800 4.407 4.065 4.790 . 0 0 "[ . 1 ]" 1
291 1 35 ARG H 1 88 TRP HB3 5.000 . 5.800 5.012 4.746 5.253 . 0 0 "[ . 1 ]" 1
292 1 35 ARG H 1 89 LEU HA 4.300 . 5.100 3.321 2.921 3.807 . 0 0 "[ . 1 ]" 1
293 1 35 ARG H 1 90 ALA H 4.900 . 5.700 4.951 4.105 5.605 . 0 0 "[ . 1 ]" 1
294 1 35 ARG H 1 90 ALA MB 5.000 . 6.500 4.563 3.857 4.983 . 0 0 "[ . 1 ]" 1
295 1 35 ARG H 1 92 ILE MD 5.000 . 6.500 5.688 5.128 6.298 . 0 0 "[ . 1 ]" 1
296 1 35 ARG HA 1 89 LEU HA 4.300 . 5.100 5.060 4.734 5.177 0.077 2 0 "[ . 1 ]" 1
297 1 35 ARG HB3 1 88 TRP H 3.900 . 4.500 4.543 4.502 4.607 0.107 12 0 "[ . 1 ]" 1
298 1 35 ARG HB3 1 89 LEU HA 4.200 2.800 4.800 4.653 4.105 4.879 0.079 11 0 "[ . 1 ]" 1
299 1 35 ARG QG 1 89 LEU HA 3.900 . 5.400 5.208 4.686 5.416 0.016 8 0 "[ . 1 ]" 1
300 1 36 LEU HA 1 90 ALA H 4.700 . 5.500 4.220 2.265 5.632 0.132 3 0 "[ . 1 ]" 1
301 1 36 LEU HA 1 92 ILE MD 5.000 . 6.500 5.867 4.046 6.536 0.036 6 0 "[ . 1 ]" 1
302 1 36 LEU HB3 1 90 ALA H 3.800 . 4.400 2.777 1.950 4.423 0.023 1 0 "[ . 1 ]" 1
303 1 36 LEU MD1 1 90 ALA H 5.000 . 6.500 3.953 1.915 5.780 . 0 0 "[ . 1 ]" 1
304 1 36 LEU MD2 1 91 TYR H 5.000 . 6.500 5.078 3.916 6.527 0.027 4 0 "[ . 1 ]" 1
305 1 37 LEU H 1 89 LEU HA 5.000 . 5.800 5.096 4.171 5.892 0.092 11 0 "[ . 1 ]" 1
306 1 37 LEU H 1 90 ALA H 4.300 . 5.100 3.903 2.814 5.102 0.002 7 0 "[ . 1 ]" 1
307 1 37 LEU HA 1 39 VAL H 5.000 . 5.800 5.083 3.470 5.855 0.055 2 0 "[ . 1 ]" 1
308 1 37 LEU HA 1 90 ALA H 5.000 . 5.800 5.343 4.298 5.861 0.061 10 0 "[ . 1 ]" 1
309 1 37 LEU MD2 1 91 TYR H 5.000 . 6.500 5.674 4.442 6.525 0.025 11 0 "[ . 1 ]" 1
310 1 39 VAL MG1 1 41 THR H 5.000 . 6.500 5.017 2.338 6.283 . 0 0 "[ . 1 ]" 1
311 1 41 THR H 1 45 LYS HA 4.500 . 5.300 5.301 5.167 5.343 0.043 3 0 "[ . 1 ]" 1
312 1 41 THR H 1 104 VAL MG1 5.000 . 6.500 5.631 3.789 6.524 0.024 1 0 "[ . 1 ]" 1
313 1 41 THR HA 1 43 GLU H 5.000 . 5.800 5.778 5.710 5.864 0.064 8 0 "[ . 1 ]" 1
314 1 41 THR HA 1 44 THR H 4.300 . 5.100 5.103 4.903 5.165 0.065 2 0 "[ . 1 ]" 1
315 1 41 THR HA 1 48 LYS H 3.900 . 4.500 4.281 2.567 4.613 0.113 1 0 "[ . 1 ]" 1
316 1 41 THR HA 1 49 LYS H 3.300 . 3.900 3.873 3.098 4.047 0.147 4 0 "[ . 1 ]" 1
317 1 41 THR HA 1 50 GLY H 4.400 . 5.200 4.147 2.317 5.238 0.038 1 0 "[ . 1 ]" 1
318 1 41 THR HA 1 51 VAL H 5.000 . 5.800 5.761 5.468 5.889 0.089 8 0 "[ . 1 ]" 1
319 1 41 THR HA 1 52 GLU H 5.000 . 5.800 5.517 4.708 5.828 0.028 7 0 "[ . 1 ]" 1
320 1 41 THR MG 1 43 GLU H 5.000 . 6.500 4.658 3.963 6.351 . 0 0 "[ . 1 ]" 1
321 1 42 PRO HA 1 44 THR H 5.000 . 5.800 4.137 3.703 4.513 . 0 0 "[ . 1 ]" 1
322 1 42 PRO HB3 1 53 LYS H 3.800 . 4.400 3.958 2.015 4.595 0.195 6 0 "[ . 1 ]" 1
323 1 42 PRO HG3 1 54 TYR QE 4.000 . 5.500 5.454 4.762 5.560 0.060 1 0 "[ . 1 ]" 1
324 1 49 LYS HA 1 51 VAL H 5.000 . 5.800 5.471 3.235 5.861 0.061 3 0 "[ . 1 ]" 1
325 1 51 VAL HA 1 54 TYR QD 5.000 . 6.500 5.640 3.842 6.586 0.086 6 0 "[ . 1 ]" 1
326 1 51 VAL HA 1 108 LEU MD2 5.000 . 6.500 6.483 6.036 6.716 0.216 6 0 "[ . 1 ]" 1
327 1 51 VAL MG1 1 54 TYR H 5.000 . 6.500 5.885 4.300 6.533 0.033 12 0 "[ . 1 ]" 1
328 1 51 VAL MG1 1 54 TYR QD 4.500 . 6.000 5.019 3.466 5.986 . 0 0 "[ . 1 ]" 1
329 1 51 VAL MG2 1 54 TYR QE 4.200 . 5.700 4.099 2.038 5.701 0.001 5 0 "[ . 1 ]" 1
330 1 52 GLU QB 1 54 TYR QD 5.000 . 6.500 3.036 1.871 5.552 . 0 0 "[ . 1 ]" 1
331 1 52 GLU QB 1 54 TYR QE 4.000 . 5.500 3.371 1.922 5.399 . 0 0 "[ . 1 ]" 1
332 1 53 LYS QG 1 55 GLY H 5.000 . 6.500 5.169 4.308 6.004 . 0 0 "[ . 1 ]" 1
333 1 54 TYR QD 1 56 PRO HA 4.800 . 6.300 5.303 4.123 6.139 . 0 0 "[ . 1 ]" 1
334 1 54 TYR QD 1 56 PRO HB3 4.700 . 6.200 5.616 5.504 5.766 . 0 0 "[ . 1 ]" 1
335 1 54 TYR QD 1 57 GLU HA 4.600 . 6.100 4.449 4.031 5.452 . 0 0 "[ . 1 ]" 1
336 1 54 TYR QD 1 58 ALA MB 4.500 . 6.000 4.244 3.068 5.958 . 0 0 "[ . 1 ]" 1
337 1 54 TYR QD 1 103 LEU HG 4.200 . 5.700 5.678 5.230 5.809 0.109 7 0 "[ . 1 ]" 1
338 1 54 TYR QE 1 56 PRO HB2 4.200 . 5.700 5.740 5.658 5.788 0.088 8 0 "[ . 1 ]" 1
339 1 54 TYR QE 1 57 GLU HA 5.000 . 6.500 4.763 3.944 6.250 . 0 0 "[ . 1 ]" 1
340 1 54 TYR QE 1 57 GLU QB 3.500 . 5.000 2.747 1.886 4.066 . 0 0 "[ . 1 ]" 1
341 1 55 GLY H 1 57 GLU QB 5.000 . 6.500 4.417 3.499 5.013 . 0 0 "[ . 1 ]" 1
342 1 55 GLY H 1 58 ALA MB 5.000 . 6.500 3.800 2.087 5.132 . 0 0 "[ . 1 ]" 1
343 1 56 PRO HA 1 58 ALA H 5.000 . 5.800 4.280 3.420 5.733 . 0 0 "[ . 1 ]" 1
344 1 56 PRO HA 1 59 SER H 5.000 . 5.800 4.345 3.618 5.380 . 0 0 "[ . 1 ]" 1
345 1 56 PRO HA 1 60 ALA H 5.000 . 5.800 2.991 2.453 3.529 . 0 0 "[ . 1 ]" 1
346 1 56 PRO HB3 1 61 PHE QD 4.100 . 5.600 5.524 4.608 5.636 0.036 7 0 "[ . 1 ]" 1
347 1 57 GLU H 1 59 SER H 5.000 . 5.800 4.672 3.806 5.243 . 0 0 "[ . 1 ]" 1
348 1 57 GLU H 1 108 LEU MD1 5.000 . 6.500 5.369 4.094 6.508 0.008 9 0 "[ . 1 ]" 1
349 1 57 GLU HA 1 60 ALA H 4.300 . 5.100 4.717 4.184 5.126 0.026 11 0 "[ . 1 ]" 1
350 1 57 GLU QB 1 59 SER H 5.000 . 6.500 5.307 4.508 5.668 . 0 0 "[ . 1 ]" 1
351 1 57 GLU QB 1 61 PHE QE 4.300 . 5.800 5.567 4.709 5.830 0.030 4 0 "[ . 1 ]" 1
352 1 57 GLU QB 1 108 LEU MD2 5.000 . 6.500 2.200 1.833 2.593 . 0 0 "[ . 1 ]" 1
353 1 58 ALA H 1 60 ALA H 4.600 . 5.400 3.659 3.334 4.289 . 0 0 "[ . 1 ]" 1
354 1 58 ALA H 1 62 THR HB 5.000 . 5.800 5.867 5.821 5.900 0.100 6 0 "[ . 1 ]" 1
355 1 58 ALA H 1 103 LEU MD2 5.000 . 6.500 5.804 4.241 6.519 0.019 1 0 "[ . 1 ]" 1
356 1 58 ALA H 1 108 LEU MD1 5.000 . 6.500 5.641 4.685 6.182 . 0 0 "[ . 1 ]" 1
357 1 58 ALA H 1 108 LEU MD2 5.000 . 6.500 4.877 4.182 5.619 . 0 0 "[ . 1 ]" 1
358 1 58 ALA HA 1 61 PHE H 3.900 . 4.500 4.533 4.443 4.558 0.058 1 0 "[ . 1 ]" 1
359 1 58 ALA HA 1 62 THR H 5.000 . 5.800 3.876 3.113 4.593 . 0 0 "[ . 1 ]" 1
360 1 58 ALA MB 1 61 PHE H 5.000 . 6.500 4.933 4.722 5.165 . 0 0 "[ . 1 ]" 1
361 1 58 ALA MB 1 61 PHE QD 5.000 . 6.500 6.440 6.185 6.570 0.070 1 0 "[ . 1 ]" 1
362 1 59 SER HA 1 62 THR H 5.000 . 5.800 4.087 3.121 5.365 . 0 0 "[ . 1 ]" 1
363 1 59 SER HA 1 63 LYS H 5.000 . 5.800 4.029 3.109 4.779 . 0 0 "[ . 1 ]" 1
364 1 60 ALA H 1 62 THR H 5.000 . 5.800 4.028 3.637 4.544 . 0 0 "[ . 1 ]" 1
365 1 60 ALA H 1 63 LYS QD 5.000 . 6.500 5.465 3.796 6.517 0.017 6 0 "[ . 1 ]" 1
366 1 60 ALA MB 1 62 THR H 5.000 . 6.500 4.567 4.224 4.882 . 0 0 "[ . 1 ]" 1
367 1 60 ALA MB 1 63 LYS H 5.000 . 6.500 5.353 4.561 5.887 . 0 0 "[ . 1 ]" 1
368 1 61 PHE H 1 64 LYS QB 5.000 . 6.500 4.382 4.140 4.802 . 0 0 "[ . 1 ]" 1
369 1 61 PHE H 1 108 LEU MD2 5.000 . 6.500 6.551 6.518 6.604 0.104 6 0 "[ . 1 ]" 1
370 1 61 PHE HA 1 64 LYS H 4.300 . 5.100 3.595 3.141 3.800 . 0 0 "[ . 1 ]" 1
371 1 61 PHE QB 1 108 LEU MD2 4.300 . 5.800 4.797 4.613 5.038 . 0 0 "[ . 1 ]" 1
372 1 61 PHE QD 1 64 LYS QG 3.800 . 5.300 5.152 4.627 5.308 0.008 2 0 "[ . 1 ]" 1
373 1 61 PHE QD 1 102 ALA MB 4.200 . 5.700 3.977 3.056 5.103 . 0 0 "[ . 1 ]" 1
374 1 61 PHE QD 1 108 LEU MD2 5.000 . 6.500 5.360 4.892 5.799 . 0 0 "[ . 1 ]" 1
375 1 61 PHE QE 1 64 LYS QB 4.400 . 5.900 5.118 4.618 5.686 . 0 0 "[ . 1 ]" 1
376 1 61 PHE QE 1 64 LYS QD 4.800 . 6.300 5.207 3.372 6.306 0.006 6 0 "[ . 1 ]" 1
377 1 61 PHE QE 1 65 MET HA 5.000 . 6.500 5.367 4.005 6.120 . 0 0 "[ . 1 ]" 1
378 1 61 PHE QE 1 65 MET QG 5.000 . 6.500 3.608 1.943 5.194 . 0 0 "[ . 1 ]" 1
379 1 61 PHE QE 1 99 VAL HA 4.900 . 6.400 3.590 2.651 5.481 . 0 0 "[ . 1 ]" 1
380 1 61 PHE QE 1 99 VAL MG1 5.000 . 6.500 3.989 3.421 4.229 . 0 0 "[ . 1 ]" 1
381 1 61 PHE QE 1 102 ALA MB 3.600 . 5.100 2.836 1.839 4.234 . 0 0 "[ . 1 ]" 1
382 1 61 PHE QE 1 103 LEU MD1 5.000 . 6.500 3.824 2.744 4.859 . 0 0 "[ . 1 ]" 1
383 1 61 PHE QE 1 103 LEU MD2 5.000 . 6.500 3.346 2.426 5.025 . 0 0 "[ . 1 ]" 1
384 1 61 PHE QE 1 108 LEU MD2 5.000 . 6.500 5.956 5.215 6.539 0.039 12 0 "[ . 1 ]" 1
385 1 61 PHE HZ 1 99 VAL MG1 4.500 . 6.000 5.863 5.459 6.037 0.037 7 0 "[ . 1 ]" 1
386 1 62 THR H 1 64 LYS H 5.000 . 5.800 3.939 3.546 4.296 . 0 0 "[ . 1 ]" 1
387 1 62 THR H 1 64 LYS QB 5.000 . 6.500 4.573 4.109 5.157 . 0 0 "[ . 1 ]" 1
388 1 62 THR H 1 103 LEU MD2 5.000 . 6.500 5.883 4.445 6.536 0.036 7 0 "[ . 1 ]" 1
389 1 62 THR HA 1 65 MET H 4.700 . 5.500 4.072 3.745 4.701 . 0 0 "[ . 1 ]" 1
390 1 62 THR HA 1 66 VAL H 5.000 . 5.800 4.721 4.050 5.782 . 0 0 "[ . 1 ]" 1
391 1 62 THR MG 1 65 MET H 3.900 . 5.400 5.225 4.961 5.429 0.029 2 0 "[ . 1 ]" 1
392 1 62 THR MG 1 66 VAL H 5.000 . 6.500 4.985 4.551 5.385 . 0 0 "[ . 1 ]" 1
393 1 63 LYS HA 1 66 VAL H 5.000 . 5.800 3.742 3.073 4.172 . 0 0 "[ . 1 ]" 1
394 1 63 LYS HA 1 67 GLU H 5.000 . 5.800 4.523 3.967 5.069 . 0 0 "[ . 1 ]" 1
395 1 63 LYS HG2 1 66 VAL H 5.000 . 5.800 5.504 4.788 5.825 0.025 2 0 "[ . 1 ]" 1
396 1 63 LYS HG2 1 67 GLU H 5.000 . 5.800 5.479 4.765 5.851 0.051 8 0 "[ . 1 ]" 1
397 1 64 LYS H 1 66 VAL H 5.000 . 5.800 3.945 3.635 4.327 . 0 0 "[ . 1 ]" 1
398 1 64 LYS QG 1 66 VAL H 5.000 . 6.500 5.287 4.674 5.922 . 0 0 "[ . 1 ]" 1
399 1 64 LYS QG 1 67 GLU H 5.000 . 6.500 4.859 4.243 5.661 . 0 0 "[ . 1 ]" 1
400 1 65 MET H 1 67 GLU H 5.000 . 5.800 4.101 3.839 4.332 . 0 0 "[ . 1 ]" 1
401 1 65 MET HA 1 68 ASN HD21 5.000 . 5.800 3.676 2.706 5.178 . 0 0 "[ . 1 ]" 1
402 1 65 MET HA 1 68 ASN HD22 5.000 . 5.800 3.326 1.982 4.996 . 0 0 "[ . 1 ]" 1
403 1 65 MET QB 1 67 GLU H 5.000 . 6.500 4.689 4.309 5.108 . 0 0 "[ . 1 ]" 1
404 1 65 MET QB 1 68 ASN H 5.000 . 6.500 5.135 4.739 5.484 . 0 0 "[ . 1 ]" 1
405 1 65 MET QB 1 68 ASN HD22 5.000 . 6.500 5.126 3.729 6.502 0.002 7 0 "[ . 1 ]" 1
406 1 66 VAL H 1 68 ASN H 5.000 . 5.800 3.964 3.713 4.374 . 0 0 "[ . 1 ]" 1
407 1 66 VAL H 1 69 ALA H 5.000 . 5.800 4.774 4.490 5.156 . 0 0 "[ . 1 ]" 1
408 1 66 VAL HA 1 68 ASN H 5.000 . 5.800 3.862 3.560 4.320 . 0 0 "[ . 1 ]" 1
409 1 66 VAL HA 1 69 ALA H 4.800 . 5.600 3.365 2.822 3.766 . 0 0 "[ . 1 ]" 1
410 1 66 VAL MG1 1 68 ASN H 5.000 . 6.500 4.997 4.098 5.537 . 0 0 "[ . 1 ]" 1
411 1 66 VAL MG1 1 69 ALA H 5.000 . 6.500 4.930 4.310 5.324 . 0 0 "[ . 1 ]" 1
412 1 66 VAL MG2 1 68 ASN H 5.000 . 6.500 4.620 3.981 5.185 . 0 0 "[ . 1 ]" 1
413 1 66 VAL MG2 1 69 ALA H 5.000 . 6.500 5.055 4.535 5.303 . 0 0 "[ . 1 ]" 1
414 1 67 GLU H 1 69 ALA H 5.000 . 5.800 3.960 3.621 4.371 . 0 0 "[ . 1 ]" 1
415 1 67 GLU HA 1 69 ALA H 5.000 . 5.800 4.462 4.213 4.613 . 0 0 "[ . 1 ]" 1
416 1 67 GLU HB3 1 69 ALA H 5.000 . 5.800 5.367 4.918 5.760 . 0 0 "[ . 1 ]" 1
417 1 69 ALA H 1 71 LYS HG2 5.000 . 5.800 5.818 5.808 5.840 0.040 9 0 "[ . 1 ]" 1
418 1 69 ALA HA 1 71 LYS H 4.000 . 4.800 3.745 3.364 3.936 . 0 0 "[ . 1 ]" 1
419 1 69 ALA MB 1 71 LYS H 4.900 . 6.400 2.629 2.432 3.124 . 0 0 "[ . 1 ]" 1
420 1 69 ALA MB 1 72 ILE H 5.000 . 6.500 5.269 5.146 5.430 . 0 0 "[ . 1 ]" 1
421 1 69 ALA MB 1 94 ALA H 5.000 . 6.500 4.678 4.284 5.826 . 0 0 "[ . 1 ]" 1
422 1 69 ALA MB 1 95 ASP H 5.000 . 6.500 2.861 2.527 3.611 . 0 0 "[ . 1 ]" 1
423 1 70 LYS H 1 72 ILE HG13 5.000 . 5.800 5.653 5.412 5.807 0.007 4 0 "[ . 1 ]" 1
424 1 71 LYS H 1 94 ALA HA 5.000 . 5.800 4.361 3.836 5.804 0.004 9 0 "[ . 1 ]" 1
425 1 71 LYS H 1 95 ASP H 4.800 . 5.600 3.836 3.284 4.570 . 0 0 "[ . 1 ]" 1
426 1 71 LYS HA 1 93 TYR QD 5.000 . 6.500 6.511 6.404 6.540 0.040 9 0 "[ . 1 ]" 1
427 1 71 LYS HB2 1 73 GLU H 3.900 . 4.500 4.531 4.515 4.613 0.113 9 0 "[ . 1 ]" 1
428 1 71 LYS HB2 1 95 ASP H 4.700 . 5.500 3.589 2.992 3.827 . 0 0 "[ . 1 ]" 1
429 1 71 LYS HB2 1 96 GLY H 4.800 . 5.600 4.324 4.019 4.571 . 0 0 "[ . 1 ]" 1
430 1 71 LYS HB3 1 95 ASP H 5.000 . 5.800 4.546 4.405 5.025 . 0 0 "[ . 1 ]" 1
431 1 71 LYS HB3 1 96 GLY H 5.000 . 5.800 5.698 5.284 5.817 0.017 1 0 "[ . 1 ]" 1
432 1 71 LYS QD 1 93 TYR QD 4.500 . 6.000 5.982 5.698 6.019 0.019 2 0 "[ . 1 ]" 1
433 1 71 LYS HG2 1 96 GLY H 5.000 . 5.800 4.726 4.020 5.736 . 0 0 "[ . 1 ]" 1
434 1 72 ILE HA 1 93 TYR H 5.000 . 5.800 3.675 3.508 4.444 . 0 0 "[ . 1 ]" 1
435 1 72 ILE HA 1 94 ALA HA 3.100 . 3.600 2.992 2.802 3.223 . 0 0 "[ . 1 ]" 1
436 1 72 ILE HA 1 95 ASP H 5.000 . 5.800 4.100 3.513 4.603 . 0 0 "[ . 1 ]" 1
437 1 72 ILE MD 1 94 ALA HA 3.800 . 5.300 4.575 4.136 5.049 . 0 0 "[ . 1 ]" 1
438 1 72 ILE MD 1 95 ASP H 5.000 . 6.500 5.412 4.926 6.032 . 0 0 "[ . 1 ]" 1
439 1 72 ILE HG12 1 95 ASP H 5.000 . 5.800 5.669 5.184 5.811 0.011 5 0 "[ . 1 ]" 1
440 1 72 ILE HG13 1 93 TYR H 5.000 . 5.800 5.591 5.251 5.807 0.007 9 0 "[ . 1 ]" 1
441 1 72 ILE MG 1 74 VAL HA 3.800 . 5.300 4.723 4.609 4.841 . 0 0 "[ . 1 ]" 1
442 1 72 ILE MG 1 74 VAL MG2 5.000 . 6.500 3.718 2.738 5.132 . 0 0 "[ . 1 ]" 1
443 1 72 ILE MG 1 75 GLU H 5.000 . 6.500 6.479 6.308 6.528 0.028 4 0 "[ . 1 ]" 1
444 1 72 ILE MG 1 92 ILE H 5.000 . 6.500 5.203 4.726 5.771 . 0 0 "[ . 1 ]" 1
445 1 72 ILE MG 1 93 TYR H 4.500 . 6.000 2.829 2.560 3.131 . 0 0 "[ . 1 ]" 1
446 1 72 ILE MG 1 93 TYR HA 4.100 . 5.600 4.349 4.177 4.522 . 0 0 "[ . 1 ]" 1
447 1 72 ILE MG 1 93 TYR QD 4.700 . 6.200 4.602 4.356 4.827 . 0 0 "[ . 1 ]" 1
448 1 72 ILE MG 1 93 TYR QE 4.800 . 6.300 5.435 5.186 6.474 0.174 9 0 "[ . 1 ]" 1
449 1 72 ILE MG 1 94 ALA H 5.000 . 6.500 4.658 4.168 5.124 . 0 0 "[ . 1 ]" 1
450 1 72 ILE MG 1 94 ALA HA 4.200 . 5.700 3.826 3.439 4.283 . 0 0 "[ . 1 ]" 1
451 1 72 ILE MG 1 95 ASP H 5.000 . 6.500 5.377 4.661 5.897 . 0 0 "[ . 1 ]" 1
452 1 73 GLU H 1 93 TYR H 4.100 . 4.900 3.544 3.146 4.444 . 0 0 "[ . 1 ]" 1
453 1 73 GLU H 1 93 TYR HB2 4.400 . 5.200 5.066 3.167 5.276 0.076 3 0 "[ . 1 ]" 1
454 1 73 GLU H 1 93 TYR HB3 5.000 . 5.800 5.475 1.818 5.867 0.067 6 0 "[ . 1 ]" 1
455 1 73 GLU H 1 93 TYR QD 5.000 . 6.500 2.956 2.718 3.222 . 0 0 "[ . 1 ]" 1
456 1 73 GLU H 1 94 ALA HA 3.900 . 4.500 4.490 4.335 4.569 0.069 9 0 "[ . 1 ]" 1
457 1 73 GLU H 1 95 ASP H 5.000 . 5.800 5.009 4.572 5.455 . 0 0 "[ . 1 ]" 1
458 1 73 GLU HA 1 93 TYR QD 5.000 . 6.500 5.428 4.799 5.642 . 0 0 "[ . 1 ]" 1
459 1 73 GLU QB 1 93 TYR H 5.000 . 6.500 4.714 4.206 5.270 . 0 0 "[ . 1 ]" 1
460 1 73 GLU QB 1 93 TYR QE 5.000 . 6.500 2.063 1.820 3.714 . 0 0 "[ . 1 ]" 1
461 1 73 GLU QG 1 93 TYR H 5.000 . 6.500 6.078 5.373 6.387 . 0 0 "[ . 1 ]" 1
462 1 74 VAL HA 1 90 ALA MB 4.500 . 6.000 3.907 3.498 4.577 . 0 0 "[ . 1 ]" 1
463 1 74 VAL HA 1 92 ILE HA 3.000 2.800 3.500 3.059 2.767 3.437 0.033 12 0 "[ . 1 ]" 1
464 1 74 VAL HA 1 92 ILE MD 4.800 . 6.300 4.983 4.371 5.615 . 0 0 "[ . 1 ]" 1
465 1 74 VAL HA 1 93 TYR H 4.800 . 5.600 4.221 3.885 4.615 . 0 0 "[ . 1 ]" 1
466 1 74 VAL HA 1 93 TYR QD 4.400 . 5.800 4.739 4.282 5.301 . 0 0 "[ . 1 ]" 1
467 1 74 VAL HA 1 93 TYR QE 5.000 . 6.500 4.385 3.912 5.989 . 0 0 "[ . 1 ]" 1
468 1 74 VAL HB 1 76 PHE QD 4.000 . 5.500 4.233 3.683 4.918 . 0 0 "[ . 1 ]" 1
469 1 74 VAL HB 1 76 PHE QE 4.700 . 6.200 5.707 5.053 6.228 0.028 8 0 "[ . 1 ]" 1
470 1 74 VAL MG1 1 76 PHE QD 4.900 . 6.400 3.886 2.276 5.104 . 0 0 "[ . 1 ]" 1
471 1 74 VAL MG1 1 76 PHE QE 4.800 . 6.300 5.130 3.355 6.208 . 0 0 "[ . 1 ]" 1
472 1 74 VAL MG1 1 89 LEU MD1 5.000 . 6.500 4.706 3.633 6.310 . 0 0 "[ . 1 ]" 1
473 1 74 VAL MG1 1 92 ILE MD 4.800 . 6.300 3.528 2.795 4.964 . 0 0 "[ . 1 ]" 1
474 1 74 VAL MG1 1 93 TYR H 5.000 . 6.500 4.841 3.539 6.012 . 0 0 "[ . 1 ]" 1
475 1 74 VAL MG1 1 93 TYR QD 5.000 . 6.500 5.701 5.137 6.532 0.032 12 0 "[ . 1 ]" 1
476 1 74 VAL MG2 1 76 PHE H 5.000 . 6.500 3.854 2.212 4.931 . 0 0 "[ . 1 ]" 1
477 1 74 VAL MG2 1 76 PHE HA 5.000 . 6.500 5.551 3.535 6.399 . 0 0 "[ . 1 ]" 1
478 1 74 VAL MG2 1 76 PHE HB2 5.000 . 6.500 4.869 3.095 5.780 . 0 0 "[ . 1 ]" 1
479 1 74 VAL MG2 1 76 PHE HB3 5.000 . 6.500 3.544 1.794 4.450 0.006 12 0 "[ . 1 ]" 1
480 1 74 VAL MG2 1 76 PHE QD 4.500 . 6.000 4.142 2.353 5.270 . 0 0 "[ . 1 ]" 1
481 1 74 VAL MG2 1 76 PHE QE 4.900 . 6.400 5.180 3.513 6.257 . 0 0 "[ . 1 ]" 1
482 1 74 VAL MG2 1 90 ALA HA 5.000 . 6.500 4.770 2.543 5.429 . 0 0 "[ . 1 ]" 1
483 1 74 VAL MG2 1 90 ALA MB 4.700 . 6.200 3.138 1.777 4.377 0.023 12 0 "[ . 1 ]" 1
484 1 74 VAL MG2 1 91 TYR H 5.000 . 6.500 4.381 1.925 5.282 . 0 0 "[ . 1 ]" 1
485 1 74 VAL MG2 1 91 TYR QD 5.000 . 6.500 6.133 4.142 6.516 0.016 2 0 "[ . 1 ]" 1
486 1 74 VAL MG2 1 92 ILE HA 4.900 . 6.400 3.603 2.620 5.242 . 0 0 "[ . 1 ]" 1
487 1 74 VAL MG2 1 92 ILE MD 4.800 . 6.300 4.254 3.178 6.319 0.019 9 0 "[ . 1 ]" 1
488 1 74 VAL MG2 1 93 TYR H 5.000 . 6.500 4.807 3.838 6.030 . 0 0 "[ . 1 ]" 1
489 1 74 VAL MG2 1 93 TYR QD 5.000 . 6.500 5.840 5.379 6.525 0.025 8 0 "[ . 1 ]" 1
490 1 75 GLU H 1 90 ALA MB 5.000 . 6.500 4.089 3.737 4.479 . 0 0 "[ . 1 ]" 1
491 1 75 GLU H 1 91 TYR HB2 5.000 . 5.800 3.193 2.168 3.803 . 0 0 "[ . 1 ]" 1
492 1 75 GLU H 1 91 TYR HB3 5.000 . 5.800 4.794 3.662 5.492 . 0 0 "[ . 1 ]" 1
493 1 75 GLU H 1 92 ILE H 5.000 . 5.800 3.733 3.047 4.604 . 0 0 "[ . 1 ]" 1
494 1 75 GLU H 1 92 ILE HA 5.000 . 5.800 4.556 4.265 5.041 . 0 0 "[ . 1 ]" 1
495 1 75 GLU H 1 92 ILE MD 5.000 . 6.500 5.540 5.012 6.212 . 0 0 "[ . 1 ]" 1
496 1 75 GLU H 1 92 ILE HG13 5.000 . 5.800 5.167 4.787 5.838 0.038 9 0 "[ . 1 ]" 1
497 1 75 GLU H 1 93 TYR H 5.000 . 5.800 5.683 5.390 5.831 0.031 8 0 "[ . 1 ]" 1
498 1 75 GLU H 1 93 TYR QD 5.000 . 6.500 4.779 4.376 5.090 . 0 0 "[ . 1 ]" 1
499 1 75 GLU H 1 93 TYR QE 5.000 . 6.500 3.915 3.320 5.851 . 0 0 "[ . 1 ]" 1
500 1 75 GLU HA 1 91 TYR QD 4.700 . 6.200 5.735 4.893 6.222 0.022 5 0 "[ . 1 ]" 1
501 1 75 GLU HA 1 93 TYR QE 4.900 . 6.400 5.044 4.424 6.407 0.007 9 0 "[ . 1 ]" 1
502 1 75 GLU HB2 1 91 TYR QD 3.900 . 5.400 4.736 4.022 5.413 0.013 11 0 "[ . 1 ]" 1
503 1 75 GLU HB2 1 93 TYR QD 3.500 . 5.000 4.811 4.042 5.023 0.023 2 0 "[ . 1 ]" 1
504 1 76 PHE H 1 90 ALA MB 5.000 . 6.500 4.239 3.717 4.646 . 0 0 "[ . 1 ]" 1
505 1 76 PHE H 1 91 TYR QD 5.000 . 6.500 5.665 4.751 6.373 . 0 0 "[ . 1 ]" 1
506 1 76 PHE HA 1 90 ALA HA 4.800 2.800 5.400 3.361 2.770 4.119 0.030 9 0 "[ . 1 ]" 1
507 1 76 PHE HA 1 91 TYR H 5.000 . 5.800 5.054 4.069 5.813 0.013 8 0 "[ . 1 ]" 1
508 1 76 PHE HA 1 91 TYR QD 5.000 . 6.500 4.680 3.491 5.522 . 0 0 "[ . 1 ]" 1
509 1 76 PHE HB2 1 88 TRP HE3 4.700 . 5.500 4.230 3.696 5.047 . 0 0 "[ . 1 ]" 1
510 1 76 PHE HB3 1 91 TYR H 5.000 . 5.800 4.593 3.770 5.394 . 0 0 "[ . 1 ]" 1
511 1 76 PHE QD 1 78 LYS HA 4.000 . 5.500 4.839 4.700 4.943 . 0 0 "[ . 1 ]" 1
512 1 76 PHE QD 1 78 LYS QE 4.800 . 6.300 5.438 3.475 6.168 . 0 0 "[ . 1 ]" 1
513 1 76 PHE QD 1 88 TRP HB2 4.700 . 6.200 3.751 3.258 4.349 . 0 0 "[ . 1 ]" 1
514 1 76 PHE QD 1 88 TRP HE3 3.800 . 5.300 2.416 2.098 2.875 . 0 0 "[ . 1 ]" 1
515 1 76 PHE QD 1 90 ALA HA 4.700 . 6.200 4.940 4.217 5.570 . 0 0 "[ . 1 ]" 1
516 1 76 PHE QD 1 90 ALA MB 4.600 . 6.100 3.930 3.487 4.326 . 0 0 "[ . 1 ]" 1
517 1 76 PHE QE 1 78 LYS HA 3.800 . 5.300 3.750 3.472 4.127 . 0 0 "[ . 1 ]" 1
518 1 76 PHE QE 1 78 LYS HB2 4.500 . 6.000 4.995 4.133 5.959 . 0 0 "[ . 1 ]" 1
519 1 76 PHE QE 1 78 LYS HB3 4.700 . 6.200 5.567 3.934 5.947 . 0 0 "[ . 1 ]" 1
520 1 76 PHE QE 1 78 LYS QD 4.900 . 6.400 4.635 2.589 6.059 . 0 0 "[ . 1 ]" 1
521 1 76 PHE QE 1 78 LYS QE 4.700 . 6.200 3.915 2.577 5.180 . 0 0 "[ . 1 ]" 1
522 1 76 PHE QE 1 80 GLN HG2 4.400 . 5.900 5.162 4.380 5.927 0.027 8 0 "[ . 1 ]" 1
523 1 76 PHE QE 1 88 TRP HB2 5.000 . 6.500 4.441 4.205 4.772 . 0 0 "[ . 1 ]" 1
524 1 76 PHE QE 1 88 TRP HD1 4.700 . 6.200 5.215 4.465 6.128 . 0 0 "[ . 1 ]" 1
525 1 76 PHE QE 1 88 TRP HE3 4.200 . 5.700 2.646 2.344 3.139 . 0 0 "[ . 1 ]" 1
526 1 76 PHE QE 1 88 TRP HH2 5.000 . 6.500 4.254 3.870 4.604 . 0 0 "[ . 1 ]" 1
527 1 76 PHE QE 1 88 TRP HZ3 3.800 . 5.300 3.284 2.973 3.719 . 0 0 "[ . 1 ]" 1
528 1 76 PHE QE 1 89 LEU MD1 4.300 . 5.800 4.255 3.467 4.762 . 0 0 "[ . 1 ]" 1
529 1 76 PHE QE 1 90 ALA MB 4.500 . 6.000 5.541 5.093 5.945 . 0 0 "[ . 1 ]" 1
530 1 77 ASP H 1 90 ALA MB 5.000 . 6.500 5.482 5.138 5.922 . 0 0 "[ . 1 ]" 1
531 1 77 ASP HA 1 79 GLY H 5.000 . 5.800 4.092 3.998 4.181 . 0 0 "[ . 1 ]" 1
532 1 77 ASP HB2 1 79 GLY H 5.000 . 5.800 4.182 4.005 4.319 . 0 0 "[ . 1 ]" 1
533 1 77 ASP HB3 1 79 GLY H 5.000 . 5.800 2.570 2.281 2.749 . 0 0 "[ . 1 ]" 1
534 1 77 ASP HB3 1 81 ARG H 5.000 . 5.800 5.852 5.824 5.922 0.122 8 0 "[ . 1 ]" 1
535 1 78 LYS HA 1 80 GLN H 5.000 . 5.800 3.916 3.786 4.078 . 0 0 "[ . 1 ]" 1
536 1 78 LYS HA 1 88 TRP HE3 4.200 . 5.000 4.953 4.570 5.045 0.045 9 0 "[ . 1 ]" 1
537 1 78 LYS HA 1 88 TRP HZ3 3.200 . 3.800 3.271 2.919 3.701 . 0 0 "[ . 1 ]" 1
538 1 79 GLY H 1 81 ARG H 5.000 . 5.800 5.886 5.860 5.905 0.105 8 0 "[ . 1 ]" 1
539 1 79 GLY HA3 1 81 ARG H 5.000 . 5.800 5.849 5.790 5.989 0.189 12 0 "[ . 1 ]" 1
540 1 80 GLN HA 1 88 TRP HE3 4.900 . 5.700 4.807 4.648 4.976 . 0 0 "[ . 1 ]" 1
541 1 80 GLN HA 1 88 TRP HZ3 4.300 . 5.100 4.429 4.259 4.598 . 0 0 "[ . 1 ]" 1
542 1 80 GLN HB2 1 88 TRP HE3 4.800 . 5.600 2.545 1.794 3.641 0.006 7 0 "[ . 1 ]" 1
543 1 80 GLN HB3 1 88 TRP HE3 4.700 . 5.500 2.739 1.933 3.604 . 0 0 "[ . 1 ]" 1
544 1 80 GLN HG2 1 88 TRP HE3 3.500 . 4.100 3.034 1.914 4.127 0.027 8 0 "[ . 1 ]" 1
545 1 80 GLN HG2 1 88 TRP HZ3 3.300 . 3.900 3.885 3.551 3.973 0.073 12 0 "[ . 1 ]" 1
546 1 80 GLN HG3 1 82 THR MG 4.800 . 6.300 4.673 2.091 6.268 . 0 0 "[ . 1 ]" 1
547 1 80 GLN HG3 1 88 TRP HE3 3.600 . 4.200 3.226 2.530 4.061 . 0 0 "[ . 1 ]" 1
548 1 81 ARG H 1 88 TRP HZ3 5.000 . 5.800 5.794 5.699 5.846 0.046 11 0 "[ . 1 ]" 1
549 1 81 ARG H 1 89 LEU H 5.000 . 5.800 5.863 5.824 5.967 0.167 12 0 "[ . 1 ]" 1
550 1 82 THR HA 1 89 LEU H 5.000 . 5.800 5.822 5.532 5.907 0.107 5 0 "[ . 1 ]" 1
551 1 82 THR HB 1 87 ARG H 4.200 . 5.000 4.272 2.744 4.871 . 0 0 "[ . 1 ]" 1
552 1 82 THR MG 1 86 GLY HA2 4.700 . 6.200 4.381 2.331 6.251 0.051 9 0 "[ . 1 ]" 1
553 1 82 THR MG 1 86 GLY HA3 4.500 . 6.000 4.538 2.881 5.867 . 0 0 "[ . 1 ]" 1
554 1 82 THR MG 1 88 TRP HA 4.000 . 5.500 3.377 1.869 4.560 . 0 0 "[ . 1 ]" 1
555 1 82 THR MG 1 88 TRP HD1 5.000 . 6.500 3.379 2.457 4.422 . 0 0 "[ . 1 ]" 1
556 1 82 THR MG 1 88 TRP HE3 4.900 . 6.400 4.063 3.060 5.098 . 0 0 "[ . 1 ]" 1
557 1 82 THR MG 1 88 TRP HH2 5.000 . 6.500 4.116 3.061 5.841 . 0 0 "[ . 1 ]" 1
558 1 82 THR MG 1 88 TRP HZ2 4.700 . 6.200 3.215 2.225 4.440 . 0 0 "[ . 1 ]" 1
559 1 82 THR MG 1 88 TRP HZ3 5.000 . 6.500 4.462 3.368 6.076 . 0 0 "[ . 1 ]" 1
560 1 83 ASP H 1 87 ARG H 3.900 . 4.500 3.429 2.097 4.417 . 0 0 "[ . 1 ]" 1
561 1 85 TYR H 1 87 ARG HE 5.000 . 5.800 5.530 2.956 5.977 0.177 9 0 "[ . 1 ]" 1
562 1 85 TYR HA 1 87 ARG H 3.900 . 4.500 3.939 3.232 4.521 0.021 7 0 "[ . 1 ]" 1
563 1 85 TYR HB2 1 87 ARG H 5.000 . 5.800 4.827 3.790 5.848 0.048 1 0 "[ . 1 ]" 1
564 1 85 TYR HB3 1 87 ARG H 5.000 . 5.800 4.984 4.253 5.810 0.010 10 0 "[ . 1 ]" 1
565 1 88 TRP HE3 1 90 ALA MB 5.000 . 6.500 5.797 5.442 6.147 . 0 0 "[ . 1 ]" 1
566 1 89 LEU HA 1 91 TYR QD 5.000 . 6.500 6.019 5.891 6.217 . 0 0 "[ . 1 ]" 1
567 1 89 LEU HA 1 92 ILE MD 5.000 . 6.500 5.705 5.374 6.044 . 0 0 "[ . 1 ]" 1
568 1 89 LEU HB2 1 91 TYR QD 3.800 . 5.300 5.325 5.300 5.357 0.057 11 0 "[ . 1 ]" 1
569 1 89 LEU HB2 1 91 TYR QE 3.700 . 5.200 4.632 4.344 4.886 . 0 0 "[ . 1 ]" 1
570 1 89 LEU MD2 1 91 TYR QD 4.800 . 6.300 2.947 2.633 3.169 . 0 0 "[ . 1 ]" 1
571 1 89 LEU MD2 1 91 TYR QE 4.300 . 5.800 2.628 2.127 3.009 . 0 0 "[ . 1 ]" 1
572 1 89 LEU HG 1 91 TYR QE 4.000 . 5.500 4.959 4.239 5.447 . 0 0 "[ . 1 ]" 1
573 1 90 ALA H 1 92 ILE MD 5.000 . 6.500 4.468 4.114 4.965 . 0 0 "[ . 1 ]" 1
574 1 90 ALA HA 1 92 ILE MD 4.500 . 6.000 4.238 3.399 4.816 . 0 0 "[ . 1 ]" 1
575 1 91 TYR HB2 1 93 TYR QE 4.000 . 5.500 4.160 3.622 5.543 0.043 9 0 "[ . 1 ]" 1
576 1 91 TYR HB3 1 93 TYR QE 3.900 . 5.400 4.737 3.665 5.319 . 0 0 "[ . 1 ]" 1
577 1 91 TYR QD 1 93 TYR QE 5.000 . 6.500 5.525 5.009 5.970 . 0 0 "[ . 1 ]" 1
578 1 91 TYR QD 1 99 VAL MG2 5.000 . 6.500 6.269 5.419 6.530 0.030 9 0 "[ . 1 ]" 1
579 1 93 TYR HA 1 96 GLY H 5.000 . 5.800 5.458 5.104 5.791 . 0 0 "[ . 1 ]" 1
580 1 93 TYR HA 1 97 LYS H 5.000 . 5.800 4.878 3.929 5.567 . 0 0 "[ . 1 ]" 1
581 1 93 TYR HA 1 98 MET HA 2.800 . 3.300 2.078 1.898 2.396 . 0 0 "[ . 1 ]" 1
582 1 93 TYR HA 1 99 VAL H 4.500 . 5.300 2.995 2.509 3.627 . 0 0 "[ . 1 ]" 1
583 1 93 TYR HA 1 99 VAL MG2 4.100 . 5.600 4.066 3.166 4.553 . 0 0 "[ . 1 ]" 1
584 1 93 TYR HB3 1 96 GLY H 4.900 . 5.700 5.282 4.268 5.701 0.001 11 0 "[ . 1 ]" 1
585 1 93 TYR HB3 1 97 LYS H 5.000 . 5.800 4.711 3.671 5.802 0.002 9 0 "[ . 1 ]" 1
586 1 93 TYR QD 1 95 ASP HA 5.000 . 6.500 5.324 4.969 5.560 . 0 0 "[ . 1 ]" 1
587 1 93 TYR QD 1 96 GLY H 5.000 . 6.500 2.690 2.302 2.972 . 0 0 "[ . 1 ]" 1
588 1 93 TYR QD 1 96 GLY HA2 5.000 . 6.500 3.094 2.639 3.470 . 0 0 "[ . 1 ]" 1
589 1 93 TYR QD 1 96 GLY HA3 4.800 . 6.300 4.590 4.227 4.939 . 0 0 "[ . 1 ]" 1
590 1 93 TYR QD 1 97 LYS H 5.000 . 6.500 4.070 3.306 4.816 . 0 0 "[ . 1 ]" 1
591 1 93 TYR QD 1 98 MET H 5.000 . 6.500 4.449 4.105 4.672 . 0 0 "[ . 1 ]" 1
592 1 93 TYR QD 1 98 MET HA 3.900 . 5.400 3.781 3.407 3.899 . 0 0 "[ . 1 ]" 1
593 1 93 TYR QD 1 101 GLU HB2 4.500 . 6.000 6.033 6.006 6.073 0.073 8 0 "[ . 1 ]" 1
594 1 93 TYR QE 1 95 ASP HA 5.000 . 6.500 6.399 5.926 6.519 0.019 1 0 "[ . 1 ]" 1
595 1 93 TYR QE 1 98 MET H 5.000 . 6.500 6.089 3.866 6.520 0.020 1 0 "[ . 1 ]" 1
596 1 93 TYR QE 1 98 MET HA 4.500 . 6.000 5.846 4.716 6.019 0.019 7 0 "[ . 1 ]" 1
597 1 94 ALA H 1 96 GLY H 4.900 . 5.700 4.403 3.834 5.171 . 0 0 "[ . 1 ]" 1
598 1 94 ALA H 1 97 LYS H 4.000 . 4.200 3.715 3.226 4.210 0.010 12 0 "[ . 1 ]" 1
599 1 94 ALA H 1 98 MET HA 4.500 . 5.300 3.412 2.566 4.005 . 0 0 "[ . 1 ]" 1
600 1 94 ALA H 1 99 VAL MG2 5.000 . 6.500 5.052 3.498 5.904 . 0 0 "[ . 1 ]" 1
601 1 94 ALA HA 1 96 GLY H 5.000 . 5.800 3.692 3.418 4.423 . 0 0 "[ . 1 ]" 1
602 1 94 ALA HA 1 97 LYS QG 3.900 . 5.400 4.856 4.262 5.138 . 0 0 "[ . 1 ]" 1
603 1 94 ALA MB 1 96 GLY H 5.000 . 6.500 4.648 4.376 5.291 . 0 0 "[ . 1 ]" 1
604 1 94 ALA MB 1 97 LYS H 5.000 . 6.500 4.549 3.942 4.941 . 0 0 "[ . 1 ]" 1
605 1 95 ASP H 1 97 LYS H 5.000 . 5.800 4.212 3.723 4.590 . 0 0 "[ . 1 ]" 1
606 1 95 ASP HA 1 97 LYS H 5.000 . 5.800 4.432 4.279 4.611 . 0 0 "[ . 1 ]" 1
607 1 95 ASP HB2 1 97 LYS H 5.000 . 5.800 4.406 3.192 4.948 . 0 0 "[ . 1 ]" 1
608 1 98 MET H 1 101 GLU HB2 4.500 . 5.300 3.124 2.151 4.304 . 0 0 "[ . 1 ]" 1
609 1 98 MET H 1 101 GLU HB3 3.400 . 4.000 3.297 2.745 3.741 . 0 0 "[ . 1 ]" 1
610 1 99 VAL H 1 101 GLU HB2 5.000 . 5.800 5.156 4.530 5.805 0.005 7 0 "[ . 1 ]" 1
611 1 99 VAL HA 1 102 ALA H 5.000 . 5.800 3.736 3.361 4.005 . 0 0 "[ . 1 ]" 1
612 1 101 GLU HA 1 103 LEU H 5.000 . 5.800 4.660 3.878 5.341 . 0 0 "[ . 1 ]" 1
613 1 101 GLU HA 1 104 VAL H 5.000 . 5.800 4.466 3.129 5.237 . 0 0 "[ . 1 ]" 1
614 1 102 ALA H 1 104 VAL MG1 5.000 . 6.500 5.514 4.126 6.513 0.013 11 0 "[ . 1 ]" 1
615 1 102 ALA H 1 104 VAL MG2 5.000 . 6.500 4.626 3.215 6.502 0.002 12 0 "[ . 1 ]" 1
616 1 102 ALA HA 1 104 VAL H 5.000 . 5.800 4.847 3.480 5.823 0.023 12 0 "[ . 1 ]" 1
617 1 103 LEU HA 1 106 GLN H 5.000 . 5.800 4.513 3.179 5.156 . 0 0 "[ . 1 ]" 1
618 1 103 LEU HA 1 108 LEU H 5.000 . 5.800 4.615 4.171 5.225 . 0 0 "[ . 1 ]" 1
619 1 103 LEU HA 1 108 LEU MD2 5.000 . 6.500 4.089 3.259 4.940 . 0 0 "[ . 1 ]" 1
620 1 103 LEU HB3 1 107 GLY H 5.000 . 5.800 5.816 5.565 5.895 0.095 7 0 "[ . 1 ]" 1
621 1 103 LEU HB3 1 108 LEU MD2 3.900 . 5.400 2.871 1.793 5.148 0.007 4 0 "[ . 1 ]" 1
622 1 103 LEU MD1 1 106 GLN HE22 3.900 . 5.400 3.856 3.056 5.424 0.024 6 0 "[ . 1 ]" 1
623 1 103 LEU HG 1 108 LEU MD2 3.700 . 5.200 2.374 1.791 3.325 0.009 5 0 "[ . 1 ]" 1
624 1 103 LEU HG 1 109 ALA H 4.200 . 5.000 3.982 2.786 5.057 0.057 2 0 "[ . 1 ]" 1
625 1 104 VAL H 1 106 GLN H 5.000 . 5.800 4.866 3.248 5.266 . 0 0 "[ . 1 ]" 1
626 1 104 VAL H 1 108 LEU H 5.000 . 5.800 4.201 3.651 4.480 . 0 0 "[ . 1 ]" 1
627 1 104 VAL H 1 109 ALA MB 5.000 . 6.500 6.372 5.603 6.595 0.095 8 0 "[ . 1 ]" 1
628 1 104 VAL HA 1 109 ALA H 4.500 . 5.300 5.065 4.369 5.316 0.016 7 0 "[ . 1 ]" 1
629 1 104 VAL MG1 1 106 GLN HE22 4.000 . 5.500 5.342 4.244 5.570 0.070 1 0 "[ . 1 ]" 1
630 1 104 VAL MG1 1 107 GLY H 5.000 . 6.500 4.157 3.240 5.286 . 0 0 "[ . 1 ]" 1
631 1 104 VAL MG2 1 109 ALA H 5.000 . 6.500 6.222 5.628 6.559 0.059 9 0 "[ . 1 ]" 1
632 1 105 ARG H 1 107 GLY H 4.000 . 4.800 3.872 3.573 4.217 . 0 0 "[ . 1 ]" 1
633 1 105 ARG QB 1 108 LEU MD2 5.000 . 6.500 6.473 6.199 6.602 0.102 2 0 "[ . 1 ]" 1
634 1 105 ARG QD 1 108 LEU MD2 3.900 . 5.400 5.430 5.404 5.463 0.063 4 0 "[ . 1 ]" 1
635 1 105 ARG HG2 1 108 LEU MD2 4.500 . 6.000 5.747 5.312 6.021 0.021 1 0 "[ . 1 ]" 1
636 1 106 GLN HA 1 108 LEU H 5.000 . 5.800 5.071 4.829 5.300 . 0 0 "[ . 1 ]" 1
637 1 106 GLN HB2 1 108 LEU H 5.000 . 5.800 5.500 5.094 5.831 0.031 1 0 "[ . 1 ]" 1
638 1 106 GLN HB3 1 108 LEU H 5.000 . 5.800 5.621 5.297 5.847 0.047 6 0 "[ . 1 ]" 1
639 1 106 GLN HE22 1 108 LEU HA 4.400 . 5.200 2.555 2.089 4.289 . 0 0 "[ . 1 ]" 1
640 1 106 GLN HE22 1 108 LEU HG 3.800 . 4.400 4.163 1.887 4.489 0.089 9 0 "[ . 1 ]" 1
641 1 106 GLN QG 1 108 LEU H 5.000 . 6.500 4.146 3.859 4.307 . 0 0 "[ . 1 ]" 1
642 1 106 GLN QG 1 108 LEU MD2 4.900 . 6.400 6.043 4.782 6.447 0.047 7 0 "[ . 1 ]" 1
643 1 108 LEU MD2 1 110 LYS QG 4.000 . 5.500 5.110 3.902 5.534 0.034 6 0 "[ . 1 ]" 1
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