NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
389330 |
1nm7   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nm7
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 1172
_Distance_constraint_stats_list.Viol_count 939
_Distance_constraint_stats_list.Viol_total 2016.473
_Distance_constraint_stats_list.Viol_max 1.921
_Distance_constraint_stats_list.Viol_rms 0.0988
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0172
_Distance_constraint_stats_list.Viol_average_violations_only 0.2147
_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 9 PHE 1.410 0.316 9 0 "[ . 1]"
1 10 ALA 11.482 0.920 1 9 "[+** *-****]"
1 11 ARG 2.406 0.463 10 0 "[ . 1]"
1 12 ALA 7.124 0.895 9 1 "[ . +1]"
1 13 LEU 9.131 1.273 1 5 "[+ * .*- *1]"
1 14 TYR 1.897 0.631 10 1 "[ . +]"
1 15 ASP 0.110 0.053 8 0 "[ . 1]"
1 16 PHE 14.499 0.444 9 0 "[ . 1]"
1 17 VAL 8.198 1.137 5 8 "[*** +** -*]"
1 18 PRO 4.742 0.456 3 0 "[ . 1]"
1 19 GLU 2.485 0.589 7 2 "[ - + 1]"
1 20 ASN 4.922 0.634 7 4 "[ - * + *1]"
1 21 PRO 8.610 0.523 5 1 "[ + 1]"
1 22 GLU 7.650 0.968 4 3 "[- +* 1]"
1 23 MET 6.351 0.968 4 4 "[-* +* 1]"
1 24 GLU 8.950 0.926 7 2 "[ - + 1]"
1 25 VAL 11.101 0.910 10 6 "[ * * *-*+]"
1 26 ALA 6.833 1.137 5 8 "[*** +** -*]"
1 27 LEU 13.058 0.910 10 6 "[ * * *-*+]"
1 28 LYS 2.948 0.895 9 3 "[ -. *+1]"
1 29 LYS 7.793 0.895 9 3 "[- *. +1]"
1 30 GLY 1.195 0.895 9 1 "[ . +1]"
1 31 ASP 5.123 0.895 9 1 "[ . +1]"
1 32 LEU 6.848 0.735 7 2 "[- . + 1]"
1 33 MET 7.234 0.470 10 0 "[ . 1]"
1 34 ALA 1.855 0.236 7 0 "[ . 1]"
1 35 ILE 2.550 0.211 6 0 "[ . 1]"
1 36 LEU 21.199 1.432 4 9 "[* *+-*****]"
1 37 SER 8.613 0.835 8 9 "[****-**+ *]"
1 38 LYS 8.288 1.102 7 2 "[ - . + 1]"
1 39 LYS 7.135 0.668 10 2 "[ - . +]"
1 40 ASP 6.179 1.102 7 2 "[ - . + 1]"
1 41 PRO 0.841 0.663 3 1 "[ + . 1]"
1 42 LEU 0.882 0.317 10 0 "[ . 1]"
1 43 GLY 0.624 0.317 10 0 "[ . 1]"
1 44 ARG 4.835 0.867 7 3 "[ .*+- 1]"
1 45 ASP 1.782 0.294 8 0 "[ . 1]"
1 46 SER 20.460 1.921 2 10 [*+*******-]
1 47 ASP 18.546 1.921 2 10 [*+*******-]
1 48 TRP 13.585 0.910 10 6 "[ * * *-*+]"
1 49 TRP 8.472 0.507 6 1 "[ .+ 1]"
1 50 LYS 19.439 1.432 4 10 [***+-*****]
1 51 VAL 3.302 0.462 6 0 "[ . 1]"
1 52 ARG 11.115 1.247 1 8 "[+ ***-** *]"
1 53 THR 4.953 0.339 3 0 "[ . 1]"
1 54 LYS 4.563 0.895 9 2 "[ - . +1]"
1 55 ASN 2.029 0.792 3 2 "[ + .- 1]"
1 56 GLY 0.000 0.000 . 0 "[ . 1]"
1 57 ASN 2.029 0.370 2 0 "[ . 1]"
1 58 ILE 2.084 0.172 4 0 "[ . 1]"
1 59 GLY 0.485 0.228 9 0 "[ . 1]"
1 60 TYR 5.365 0.926 7 3 "[ * - + 1]"
1 61 ILE 5.172 0.849 7 2 "[ -. + 1]"
1 62 PRO 8.560 0.366 6 0 "[ . 1]"
1 63 TYR 2.763 0.408 9 0 "[ . 1]"
1 64 ASN 0.746 0.332 9 0 "[ . 1]"
1 65 TYR 12.411 0.910 10 7 "[ *** *-*+]"
1 66 ILE 11.868 0.920 1 9 "[+** *-****]"
1 67 GLU 6.731 0.805 7 2 "[* . + 1]"
1 68 ILE 4.425 0.481 9 0 "[ . 1]"
1 69 ILE 4.155 0.804 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 63 TYR HA 1 68 ILE MD 3.300 . 4.700 4.660 4.221 5.108 0.408 9 0 "[ . 1]" 1
2 1 49 TRP HZ3 1 68 ILE MD 3.300 . 4.700 2.407 1.920 3.152 . 0 0 "[ . 1]" 1
3 1 10 ALA HA 1 68 ILE MD 3.600 . 5.200 4.944 3.834 5.416 0.216 2 0 "[ . 1]" 1
4 1 66 ILE HG13 1 68 ILE MD 2.900 . 4.000 3.710 3.113 4.018 0.018 6 0 "[ . 1]" 1
5 1 52 ARG QD 1 58 ILE MD 2.300 . 2.900 2.676 1.931 3.067 0.167 5 0 "[ . 1]" 1
6 1 58 ILE HB 1 58 ILE MD 3.100 . 4.300 2.258 2.173 2.383 . 0 0 "[ . 1]" 1
7 1 49 TRP HE3 1 66 ILE MD 2.100 . 2.700 1.920 1.713 2.222 . 0 0 "[ . 1]" 1
8 1 49 TRP HB2 1 66 ILE MD 2.100 . 2.700 2.538 2.143 2.711 0.011 7 0 "[ . 1]" 1
9 1 66 ILE MD 1 66 ILE HG12 2.900 . 3.900 2.092 2.074 2.115 . 0 0 "[ . 1]" 1
10 1 66 ILE HB 1 66 ILE MD 3.100 . 4.300 2.217 2.000 2.432 . 0 0 "[ . 1]" 1
11 1 10 ALA HA 1 66 ILE MD 3.100 . 4.300 4.981 4.733 5.220 0.920 1 9 "[+** *-****]" 1
12 1 49 TRP HB3 1 66 ILE MD 2.800 . 3.800 3.658 2.704 4.010 0.210 7 0 "[ . 1]" 1
13 1 35 ILE MD 1 49 TRP HE3 2.400 . 3.100 2.792 2.355 3.250 0.150 4 0 "[ . 1]" 1
14 1 69 ILE HB 1 69 ILE MD 4.300 . 6.000 2.677 2.291 3.082 . 0 0 "[ . 1]" 1
15 1 35 ILE MD 1 49 TRP HZ3 3.400 . 4.800 2.942 2.224 4.443 . 0 0 "[ . 1]" 1
16 1 10 ALA HA 1 69 ILE MD 2.300 . 2.900 2.866 1.929 3.245 0.345 10 0 "[ . 1]" 1
17 1 27 LEU MD1 1 61 ILE MD 2.100 . 2.600 1.867 1.735 2.002 . 0 0 "[ . 1]" 1
18 1 61 ILE MD 1 63 TYR HA 5.900 . 6.000 5.177 4.424 5.687 . 0 0 "[ . 1]" 1
19 1 61 ILE MD 1 62 PRO HB2 3.600 . 5.200 4.799 3.969 5.086 . 0 0 "[ . 1]" 1
20 1 61 ILE MD 1 62 PRO HD2 5.000 . 6.000 2.917 1.828 3.934 0.072 7 0 "[ . 1]" 1
21 1 58 ILE HB 1 58 ILE MG 2.000 . 2.500 2.114 2.086 2.124 . 0 0 "[ . 1]" 1
22 1 51 VAL HB 1 51 VAL QG 2.000 . 2.300 1.880 1.868 1.896 . 0 0 "[ . 1]" 1
23 1 35 ILE HG13 1 35 ILE MG 2.700 . 3.600 3.055 2.646 3.200 . 0 0 "[ . 1]" 1
24 1 68 ILE QG 1 68 ILE MG 3.800 . 5.600 2.062 1.967 2.220 0.033 3 0 "[ . 1]" 1
25 1 69 ILE QG 1 69 ILE MG 4.200 . 6.000 2.410 1.882 2.612 0.118 1 0 "[ . 1]" 1
26 1 66 ILE HG13 1 66 ILE MG 3.700 . 5.400 3.151 3.022 3.200 . 0 0 "[ . 1]" 1
27 1 12 ALA MB 1 31 ASP HB3 3.300 . 4.600 2.020 1.894 2.313 0.106 2 0 "[ . 1]" 1
28 1 12 ALA HA 1 12 ALA MB 2.900 . 3.900 2.120 2.105 2.128 . 0 0 "[ . 1]" 1
29 1 12 ALA MB 1 29 LYS HA 3.700 . 5.400 3.590 3.310 3.930 . 0 0 "[ . 1]" 1
30 1 12 ALA MB 1 31 ASP HB2 6.000 . 6.000 3.104 2.986 3.299 . 0 0 "[ . 1]" 1
31 1 12 ALA MB 1 27 LEU MD2 3.200 . 4.500 2.508 1.885 2.980 0.015 10 0 "[ . 1]" 1
32 1 25 VAL MG1 1 53 THR MG 2.300 . 3.000 2.827 1.992 3.151 0.151 3 0 "[ . 1]" 1
33 1 18 PRO HG3 1 26 ALA MB 4.900 . 6.000 3.362 2.922 3.675 . 0 0 "[ . 1]" 1
34 1 17 VAL QG 1 26 ALA MB 2.000 . 2.500 3.183 2.635 3.637 1.137 5 8 "[*** +** -*]" 1
35 1 18 PRO HD2 1 26 ALA MB 3.800 . 5.600 3.060 2.512 3.743 . 0 0 "[ . 1]" 1
36 1 17 VAL HB 1 17 VAL QG 2.000 . 2.400 1.878 1.866 1.896 . 0 0 "[ . 1]" 1
37 1 17 VAL QG 1 18 PRO HD2 2.800 . 3.800 1.845 1.692 2.111 0.108 6 0 "[ . 1]" 1
38 1 17 VAL HA 1 17 VAL QG 2.100 . 2.600 2.055 1.934 2.167 . 0 0 "[ . 1]" 1
39 1 9 PHE QD 1 34 ALA MB 3.500 . 5.000 2.764 2.547 2.985 . 0 0 "[ . 1]" 1
40 1 34 ALA MB 1 36 LEU QD 3.700 . 5.400 2.698 2.303 3.436 . 0 0 "[ . 1]" 1
41 1 34 ALA MB 1 52 ARG QB 3.300 . 4.700 2.902 2.634 3.202 . 0 0 "[ . 1]" 1
42 1 34 ALA MB 1 36 LEU HG 3.400 . 4.800 4.597 3.512 5.036 0.236 7 0 "[ . 1]" 1
43 1 9 PHE HB2 1 34 ALA MB 6.000 . 6.000 3.025 2.776 3.267 . 0 0 "[ . 1]" 1
44 1 35 ILE HA 1 51 VAL QG 2.200 . 2.800 2.218 2.020 2.383 . 0 0 "[ . 1]" 1
45 1 51 VAL HA 1 51 VAL QG 3.200 . 4.400 2.213 2.025 2.433 . 0 0 "[ . 1]" 1
46 1 61 ILE MG 1 62 PRO HD2 5.300 . 6.000 4.295 4.171 4.366 . 0 0 "[ . 1]" 1
47 1 61 ILE HA 1 61 ILE MG 4.000 . 6.000 3.175 3.147 3.191 . 0 0 "[ . 1]" 1
48 1 25 VAL MG2 1 53 THR MG 2.100 . 2.600 2.023 1.615 2.854 0.254 1 0 "[ . 1]" 1
49 1 25 VAL HA 1 25 VAL MG2 2.100 . 2.700 2.855 2.628 3.196 0.496 2 0 "[ . 1]" 1
50 1 25 VAL HB 1 25 VAL MG2 3.200 . 4.500 2.116 2.094 2.124 . 0 0 "[ . 1]" 1
51 1 25 VAL MG2 1 59 GLY HA3 4.100 . 6.000 4.489 3.367 5.337 . 0 0 "[ . 1]" 1
52 1 36 LEU HA 1 36 LEU QD 2.200 . 2.800 2.092 1.645 2.901 0.255 8 0 "[ . 1]" 1
53 1 53 THR HA 1 53 THR MG 3.400 . 4.800 2.728 2.582 2.914 . 0 0 "[ . 1]" 1
54 1 33 MET HB3 1 53 THR MG 3.000 . 4.100 3.069 2.879 3.146 . 0 0 "[ . 1]" 1
55 1 27 LEU MD2 1 53 THR MG 1.900 . 2.400 2.294 1.755 2.523 0.123 1 0 "[ . 1]" 1
56 1 33 MET HB2 1 53 THR MG 3.600 . 5.300 3.887 3.665 4.067 . 0 0 "[ . 1]" 1
57 1 27 LEU MD2 1 31 ASP HB2 4.900 . 6.000 3.329 3.107 3.676 . 0 0 "[ . 1]" 1
58 1 27 LEU MD2 1 31 ASP HA 4.600 . 6.000 4.577 4.410 5.089 . 0 0 "[ . 1]" 1
59 1 16 PHE QD 1 27 LEU MD2 5.200 . 6.000 4.502 4.260 4.730 . 0 0 "[ . 1]" 1
60 1 27 LEU MD2 1 33 MET HB2 2.700 . 3.600 3.373 2.829 4.070 0.470 10 0 "[ . 1]" 1
61 1 27 LEU MD2 1 31 ASP HB3 2.200 . 2.800 2.262 1.982 2.756 . 0 0 "[ . 1]" 1
62 1 14 TYR HA 1 29 LYS QG . . 3.100 2.092 1.719 2.604 0.281 9 0 "[ . 1]" 1
63 1 38 LYS HA 1 38 LYS QG 3.100 . 3.100 2.530 2.215 3.454 0.354 9 0 "[ . 1]" 1
64 1 29 LYS HA 1 29 LYS QG . . 2.500 2.097 2.019 2.181 . 0 0 "[ . 1]" 1
65 1 29 LYS HE3 1 29 LYS QG 2.300 . 2.600 2.750 2.116 3.248 0.648 4 2 "[- +. 1]" 1
66 1 54 LYS HE3 1 54 LYS HG2 3.500 . 5.000 3.113 2.120 3.698 . 0 0 "[ . 1]" 1
67 1 28 LYS HA 1 28 LYS QG 3.300 . 4.700 2.966 2.279 3.337 . 0 0 "[ . 1]" 1
68 1 42 LEU MD1 1 42 LEU HG 1.800 . 2.200 2.098 2.081 2.123 . 0 0 "[ . 1]" 1
69 1 42 LEU QB 1 42 LEU MD1 1.700 . 2.200 2.049 1.924 2.384 0.184 9 0 "[ . 1]" 1
70 1 39 LYS QG 1 45 ASP HA 2.600 . 3.400 3.383 3.181 3.502 0.102 6 0 "[ . 1]" 1
71 1 10 ALA MB 1 35 ILE MD 2.200 . 2.800 2.560 2.070 2.768 . 0 0 "[ . 1]" 1
72 1 10 ALA MB 1 66 ILE MD 2.200 . 2.800 2.778 2.544 2.824 0.024 8 0 "[ . 1]" 1
73 1 10 ALA MB 1 68 ILE HA 3.600 . 5.200 3.241 2.065 3.672 . 0 0 "[ . 1]" 1
74 1 39 LYS QG 1 42 LEU QB 3.100 . 4.300 4.036 3.148 4.213 . 0 0 "[ . 1]" 1
75 1 39 LYS QE 1 39 LYS QG . . 2.200 2.032 1.899 2.146 . 0 0 "[ . 1]" 1
76 1 39 LYS HA 1 39 LYS QG 3.000 . 3.500 2.548 2.098 2.791 . 0 0 "[ . 1]" 1
77 1 13 LEU QD 1 66 ILE HA . . 4.700 2.792 2.394 3.241 . 0 0 "[ . 1]" 1
78 1 13 LEU QD 1 14 TYR HA 5.800 . 6.000 4.851 4.390 5.330 . 0 0 "[ . 1]" 1
79 1 32 LEU HA 1 32 LEU MD2 4.100 . 6.000 3.335 2.942 3.563 . 0 0 "[ . 1]" 1
80 1 13 LEU QD 1 65 TYR HA . . 4.700 3.393 2.565 4.067 . 0 0 "[ . 1]" 1
81 1 13 LEU QD 1 67 GLU HA . . 4.100 2.546 2.152 3.160 . 0 0 "[ . 1]" 1
82 1 13 LEU HA 1 13 LEU QD . . 3.800 2.347 1.785 3.414 0.215 6 0 "[ . 1]" 1
83 1 12 ALA MB 1 27 LEU MD1 1.700 . 2.200 1.917 1.596 2.091 . 0 0 "[ . 1]" 1
84 1 36 LEU QD 1 51 VAL HA 2.700 . 3.600 2.919 2.557 3.365 . 0 0 "[ . 1]" 1
85 1 18 PRO HD2 1 18 PRO HG3 2.800 . 3.800 2.915 2.708 2.983 . 0 0 "[ . 1]" 1
86 1 21 PRO HA 1 21 PRO HG2 3.200 . 4.500 3.857 3.848 3.862 . 0 0 "[ . 1]" 1
87 1 21 PRO HD3 1 21 PRO HG3 2.100 . 2.600 2.295 2.293 2.299 . 0 0 "[ . 1]" 1
88 1 21 PRO HD2 1 21 PRO HG2 2.400 . 3.100 2.295 2.292 2.300 . 0 0 "[ . 1]" 1
89 1 21 PRO HD3 1 21 PRO HG2 2.700 . 3.600 2.974 2.972 2.979 . 0 0 "[ . 1]" 1
90 1 48 TRP HZ3 1 62 PRO HG2 3.800 . 5.600 5.796 5.657 5.854 0.254 3 0 "[ . 1]" 1
91 1 21 PRO HD2 1 21 PRO HG3 2.600 . 3.400 2.730 2.721 2.734 . 0 0 "[ . 1]" 1
92 1 44 ARG HA 1 44 ARG QG 2.100 . 2.700 2.272 2.054 2.824 0.124 6 0 "[ . 1]" 1
93 1 44 ARG HD3 1 44 ARG QG 2.200 . 2.500 2.253 2.154 2.529 0.029 2 0 "[ . 1]" 1
94 1 48 TRP HH2 1 62 PRO HG2 5.200 . 6.000 5.305 4.467 5.531 . 0 0 "[ . 1]" 1
95 1 16 PHE QD 1 62 PRO HG2 2.500 . 3.300 3.403 3.379 3.428 0.128 4 0 "[ . 1]" 1
96 1 62 PRO HG3 1 65 TYR QE 3.100 . 4.300 3.864 2.574 4.305 0.005 5 0 "[ . 1]" 1
97 1 48 TRP HH2 1 62 PRO HG3 3.600 . 5.200 4.285 3.094 4.615 . 0 0 "[ . 1]" 1
98 1 62 PRO HG2 1 65 TYR QE 3.100 . 4.300 3.540 2.235 4.116 . 0 0 "[ . 1]" 1
99 1 11 ARG HA 1 11 ARG HG3 2.300 . 3.000 2.719 2.398 2.858 . 0 0 "[ . 1]" 1
100 1 11 ARG QD 1 11 ARG HG3 2.000 . 2.500 2.354 2.137 2.526 0.026 9 0 "[ . 1]" 1
101 1 69 ILE HA 1 69 ILE QG 2.600 . 3.400 3.085 2.961 3.144 . 0 0 "[ . 1]" 1
102 1 11 ARG HG3 1 32 LEU HA 2.800 . 3.800 3.253 2.784 3.600 . 0 0 "[ . 1]" 1
103 1 10 ALA HA 1 69 ILE QG 2.000 . 2.500 2.380 1.970 3.304 0.804 1 1 "[+ . 1]" 1
104 1 35 ILE HA 1 35 ILE HG13 3.800 . 5.600 3.573 2.812 3.810 . 0 0 "[ . 1]" 1
105 1 35 ILE HA 1 35 ILE HG12 3.700 . 5.400 3.605 2.837 4.128 . 0 0 "[ . 1]" 1
106 1 32 LEU HA 1 32 LEU HG 1.900 . 2.400 2.314 2.174 2.426 0.026 6 0 "[ . 1]" 1
107 1 58 ILE HA 1 58 ILE HG13 2.300 . 3.000 3.000 2.546 3.172 0.172 4 0 "[ . 1]" 1
108 1 41 PRO HD2 1 41 PRO HG2 2.200 . 2.800 2.278 2.254 2.315 . 0 0 "[ . 1]" 1
109 1 58 ILE HA 1 58 ILE HG12 2.400 . 3.100 2.867 2.689 3.134 0.034 2 0 "[ . 1]" 1
110 1 68 ILE MD 1 68 ILE QG . . 2.200 1.861 1.846 1.878 . 0 0 "[ . 1]" 1
111 1 68 ILE HA 1 68 ILE QG . . 3.800 2.498 2.226 3.301 . 0 0 "[ . 1]" 1
112 1 39 LYS HA 1 39 LYS HD3 2.400 . 3.100 2.864 2.446 3.290 0.190 9 0 "[ . 1]" 1
113 1 39 LYS HD3 1 45 ASP HA 5.600 . 6.000 5.127 4.680 6.003 0.003 8 0 "[ . 1]" 1
114 1 37 SER QB 1 50 LYS QD 2.400 . 3.100 3.747 3.525 3.935 0.835 8 9 "[****-**+ *]" 1
115 1 54 LYS HA 1 54 LYS HD2 4.700 . 6.000 4.611 4.489 4.755 . 0 0 "[ . 1]" 1
116 1 22 GLU HA 1 22 GLU HB3 3.000 . 4.200 2.859 2.454 3.010 . 0 0 "[ . 1]" 1
117 1 54 LYS HD2 1 54 LYS HE3 2.200 . 2.800 2.508 2.219 2.982 0.182 1 0 "[ . 1]" 1
118 1 50 LYS QD 1 50 LYS QE 2.300 . 3.000 2.015 1.945 2.090 . 0 0 "[ . 1]" 1
119 1 50 LYS QD 1 58 ILE MG 3.000 . 4.100 2.684 2.272 3.087 . 0 0 "[ . 1]" 1
120 1 38 LYS QD 1 38 LYS HE3 . . 2.500 2.293 2.145 2.492 . 0 0 "[ . 1]" 1
121 1 38 LYS QD 1 38 LYS QG 3.400 . 4.800 2.051 2.017 2.092 . 0 0 "[ . 1]" 1
122 1 38 LYS QD 1 50 LYS QG 3.800 . 5.600 5.324 5.217 5.497 . 0 0 "[ . 1]" 1
123 1 33 MET QG 1 51 VAL QG 3.400 . 4.900 2.435 1.962 2.997 . 0 0 "[ . 1]" 1
124 1 10 ALA MB 1 33 MET QG 3.600 . 5.200 4.925 4.773 5.137 . 0 0 "[ . 1]" 1
125 1 48 TRP HB3 1 48 TRP HD1 2.400 . 3.100 2.777 2.644 2.882 . 0 0 "[ . 1]" 1
126 1 62 PRO HB3 1 65 TYR QD 3.300 . 4.700 4.170 3.738 4.765 0.065 8 0 "[ . 1]" 1
127 1 62 PRO HB2 1 65 TYR QD 3.400 . 4.900 2.835 2.283 3.736 . 0 0 "[ . 1]" 1
128 1 62 PRO HA 1 62 PRO HB3 2.100 . 2.600 2.274 2.267 2.281 . 0 0 "[ . 1]" 1
129 1 44 ARG HA 1 44 ARG QB 3.300 . 3.400 2.503 2.474 2.537 . 0 0 "[ . 1]" 1
130 1 19 GLU HA 1 19 GLU HB3 2.800 . 3.800 2.846 2.493 3.021 . 0 0 "[ . 1]" 1
131 1 49 TRP HB2 1 61 ILE MG 3.100 . 4.300 3.009 2.864 3.298 . 0 0 "[ . 1]" 1
132 1 35 ILE MG 1 49 TRP HB3 2.600 . 3.500 2.628 1.790 3.009 . 0 0 "[ . 1]" 1
133 1 49 TRP HB3 1 61 ILE MG 3.300 . 4.700 4.002 3.827 4.268 . 0 0 "[ . 1]" 1
134 1 49 TRP HB3 1 49 TRP HE3 3.100 . 4.300 3.187 2.588 3.428 . 0 0 "[ . 1]" 1
135 1 49 TRP HB2 1 49 TRP HE3 2.200 . 2.800 2.669 2.473 3.307 0.507 6 1 "[ .+ 1]" 1
136 1 21 PRO HB2 1 22 GLU HA 5.700 . 6.000 4.601 4.585 4.645 . 0 0 "[ . 1]" 1
137 1 23 MET HG3 1 60 TYR QD 5.500 . 6.000 4.945 3.122 6.734 0.734 2 1 "[ + . 1]" 1
138 1 29 LYS HB2 1 29 LYS QG 2.300 . 2.900 2.318 2.161 2.522 . 0 0 "[ . 1]" 1
139 1 29 LYS HB3 1 29 LYS QG 1.900 . 2.300 2.324 2.132 2.483 0.183 3 0 "[ . 1]" 1
140 1 38 LYS QB 1 38 LYS QG . . 3.600 2.009 1.961 2.025 . 0 0 "[ . 1]" 1
141 1 14 TYR HA 1 29 LYS HB3 4.400 . 6.000 4.589 4.299 4.816 . 0 0 "[ . 1]" 1
142 1 67 GLU HB2 1 67 GLU HG3 3.000 . 4.200 2.481 2.211 2.849 . 0 0 "[ . 1]" 1
143 1 13 LEU QD 1 67 GLU HB2 2.700 . 3.600 2.429 1.865 4.405 0.805 7 1 "[ . + 1]" 1
144 1 13 LEU HG 1 67 GLU HB2 5.400 . 6.000 3.603 1.876 4.931 . 0 0 "[ . 1]" 1
145 1 24 GLU HA 1 24 GLU HB2 2.400 . 3.100 2.663 2.506 2.720 . 0 0 "[ . 1]" 1
146 1 16 PHE QE 1 24 GLU HB3 5.000 . 6.000 3.531 3.322 3.837 . 0 0 "[ . 1]" 1
147 1 52 ARG QB 1 58 ILE MG 2.700 . 3.600 3.144 2.013 3.423 . 0 0 "[ . 1]" 1
148 1 18 PRO HA 1 18 PRO HB3 2.900 . 4.000 2.299 2.245 2.321 . 0 0 "[ . 1]" 1
149 1 52 ARG HA 1 52 ARG QB 3.700 . 4.300 2.375 2.312 2.488 . 0 0 "[ . 1]" 1
150 1 28 LYS HA 1 28 LYS HB2 2.900 . 4.000 2.691 2.379 3.015 . 0 0 "[ . 1]" 1
151 1 52 ARG QB 1 52 ARG QD 2.900 . 4.000 2.161 1.926 2.666 . 0 0 "[ . 1]" 1
152 1 25 VAL HB 1 53 THR MG 3.300 . 4.700 2.686 2.141 3.359 . 0 0 "[ . 1]" 1
153 1 50 LYS HB2 1 50 LYS QG 3.600 . 5.200 2.467 2.420 2.487 . 0 0 "[ . 1]" 1
154 1 37 SER QB 1 50 LYS HB2 5.700 . 6.000 3.424 3.169 3.624 . 0 0 "[ . 1]" 1
155 1 50 LYS HA 1 50 LYS HB2 2.900 . 3.900 2.291 2.256 2.323 . 0 0 "[ . 1]" 1
156 1 50 LYS HB2 1 60 TYR QE 4.200 . 6.000 3.640 2.555 4.152 . 0 0 "[ . 1]" 1
157 1 63 TYR HB2 1 63 TYR QD 2.600 . 3.400 2.535 2.367 2.755 . 0 0 "[ . 1]" 1
158 1 11 ARG HB3 1 11 ARG HG2 2.800 . 3.800 2.587 2.398 2.667 . 0 0 "[ . 1]" 1
159 1 63 TYR HA 1 63 TYR HB2 2.700 . 3.600 2.288 2.235 2.350 . 0 0 "[ . 1]" 1
160 1 11 ARG HB2 1 11 ARG QD 3.900 . 5.800 2.919 2.575 3.183 . 0 0 "[ . 1]" 1
161 1 13 LEU QD 1 67 GLU HG3 4.000 . 4.700 3.194 2.665 4.066 . 0 0 "[ . 1]" 1
162 1 63 TYR QE 1 64 ASN HB2 5.600 . 6.000 5.619 4.336 6.332 0.332 9 0 "[ . 1]" 1
163 1 67 GLU HA 1 67 GLU HG3 2.500 . 3.300 2.897 2.210 3.630 0.330 1 0 "[ . 1]" 1
164 1 39 LYS HA 1 39 LYS HB3 3.000 . 4.200 2.945 2.854 3.022 . 0 0 "[ . 1]" 1
165 1 19 GLU HA 1 19 GLU HG2 3.000 . 4.100 3.188 2.102 4.227 0.127 4 0 "[ . 1]" 1
166 1 33 MET HB3 1 53 THR HA 3.800 . 5.600 3.681 2.124 4.215 . 0 0 "[ . 1]" 1
167 1 33 MET HB2 1 53 THR HA 5.300 . 6.000 4.816 3.792 5.167 . 0 0 "[ . 1]" 1
168 1 35 ILE HB 1 49 TRP HB2 5.300 . 6.000 4.457 3.362 5.780 . 0 0 "[ . 1]" 1
169 1 35 ILE HB 1 35 ILE MD 2.700 . 3.600 2.343 2.083 3.199 . 0 0 "[ . 1]" 1
170 1 68 ILE HB 1 68 ILE MD 2.400 . 3.100 2.405 2.136 3.207 0.107 10 0 "[ . 1]" 1
171 1 52 ARG QB 1 55 ASN HB3 6.000 . 6.000 5.391 4.766 6.745 0.745 6 1 "[ .+ 1]" 1
172 1 68 ILE HB 1 68 ILE QG 3.200 . 4.500 2.406 2.169 2.492 . 0 0 "[ . 1]" 1
173 1 55 ASN HB3 1 58 ILE MD 4.200 . 6.000 5.193 4.538 5.631 . 0 0 "[ . 1]" 1
174 1 65 TYR HB2 1 65 TYR QD 3.300 . 4.600 2.457 2.273 2.587 . 0 0 "[ . 1]" 1
175 1 65 TYR HA 1 65 TYR HB2 2.800 . 3.800 2.987 2.928 3.023 . 0 0 "[ . 1]" 1
176 1 65 TYR HB3 1 65 TYR QD 2.700 . 3.600 2.424 2.281 2.749 . 0 0 "[ . 1]" 1
177 1 53 THR MG 1 57 ASN QB 2.900 . 4.000 1.806 1.724 1.948 0.176 4 0 "[ . 1]" 1
178 1 25 VAL MG2 1 57 ASN QB 3.000 . 4.100 2.831 1.864 3.947 0.136 10 0 "[ . 1]" 1
179 1 57 ASN HA 1 57 ASN QB 3.000 . 4.100 2.370 2.249 2.536 . 0 0 "[ . 1]" 1
180 1 25 VAL MG1 1 57 ASN QB 3.300 . 4.700 3.210 1.973 3.983 . 0 0 "[ . 1]" 1
181 1 69 ILE HB 1 69 ILE QG 3.100 . 4.300 2.249 2.154 2.435 . 0 0 "[ . 1]" 1
182 1 40 ASP HB3 1 41 PRO HD2 2.800 . 3.700 3.195 1.723 4.363 0.663 3 1 "[ + . 1]" 1
183 1 46 SER QB 1 47 ASP QB 2.100 . 2.700 4.524 4.008 4.621 1.921 2 10 [*+*******-] 1
184 1 47 ASP HA 1 47 ASP QB . . 2.800 2.282 2.146 2.482 . 0 0 "[ . 1]" 1
185 1 47 ASP QB 1 63 TYR QD 2.700 . 3.100 1.985 1.739 2.327 0.061 1 0 "[ . 1]" 1
186 1 45 ASP HA 1 45 ASP QB . . 2.800 2.476 2.152 2.531 . 0 0 "[ . 1]" 1
187 1 38 LYS HE2 1 38 LYS QG 3.700 . 5.500 2.854 2.048 3.441 . 0 0 "[ . 1]" 1
188 1 38 LYS QD 1 38 LYS HE2 3.200 . 3.600 2.289 2.165 2.529 . 0 0 "[ . 1]" 1
189 1 42 LEU HA 1 42 LEU QB 2.700 . 2.700 2.375 2.235 2.520 . 0 0 "[ . 1]" 1
190 1 66 ILE HB 1 66 ILE MG 1.900 . 2.300 2.112 2.093 2.124 . 0 0 "[ . 1]" 1
191 1 36 LEU QD 1 50 LYS QE 1.900 . 2.300 2.911 2.052 3.732 1.432 4 6 "[ *+-* **]" 1
192 1 29 LYS HD2 1 29 LYS HE3 2.300 . 2.900 2.432 2.217 3.014 0.114 9 0 "[ . 1]" 1
193 1 50 LYS QE 1 58 ILE MG 3.400 . 4.300 2.684 2.004 3.946 . 0 0 "[ . 1]" 1
194 1 14 TYR HA 1 29 LYS HE3 5.000 . 6.000 3.485 2.079 5.734 . 0 0 "[ . 1]" 1
195 1 28 LYS HD3 1 28 LYS HE2 2.100 . 2.700 2.546 2.343 3.016 0.316 1 0 "[ . 1]" 1
196 1 61 ILE HB 1 62 PRO HD3 3.700 . 5.400 4.799 3.949 4.982 . 0 0 "[ . 1]" 1
197 1 31 ASP HA 1 31 ASP HB2 2.000 . 2.500 2.533 2.514 2.562 0.062 6 0 "[ . 1]" 1
198 1 28 LYS HE2 1 28 LYS QG 2.200 . 2.800 2.612 2.345 3.313 0.513 8 2 "[ -. + 1]" 1
199 1 61 ILE HB 1 62 PRO HD2 5.000 . 6.000 3.611 3.364 3.971 . 0 0 "[ . 1]" 1
200 1 9 PHE HA 1 9 PHE HB2 2.500 . 3.300 2.999 2.958 3.023 . 0 0 "[ . 1]" 1
201 1 9 PHE HB2 1 69 ILE MD 3.100 . 4.300 4.012 3.617 4.218 . 0 0 "[ . 1]" 1
202 1 9 PHE HB3 1 69 ILE MD 3.700 . 5.400 4.727 4.324 5.000 . 0 0 "[ . 1]" 1
203 1 9 PHE HA 1 9 PHE HB3 2.800 . 3.800 2.575 2.437 2.700 . 0 0 "[ . 1]" 1
204 1 36 LEU QB 1 36 LEU QD 2.900 . 3.900 1.942 1.759 2.058 0.141 5 0 "[ . 1]" 1
205 1 14 TYR HB2 1 65 TYR QE 5.100 . 6.000 3.254 2.406 4.424 . 0 0 "[ . 1]" 1
206 1 16 PHE QB 1 27 LEU MD1 4.500 . 6.000 2.326 1.952 2.611 0.048 10 0 "[ . 1]" 1
207 1 16 PHE QB 1 65 TYR QD 2.700 . 3.600 3.340 2.998 3.574 . 0 0 "[ . 1]" 1
208 1 16 PHE QB 1 16 PHE QD 2.200 . 2.800 2.123 2.119 2.128 . 0 0 "[ . 1]" 1
209 1 16 PHE QB 1 27 LEU QB 4.500 . 6.000 1.535 1.456 1.644 0.444 9 0 "[ . 1]" 1
210 1 44 ARG QB 1 44 ARG HD3 1.900 . 2.400 2.711 1.996 3.267 0.867 7 3 "[ .*+- 1]" 1
211 1 13 LEU QB 1 13 LEU HG 3.500 . 5.000 2.353 2.164 2.511 . 0 0 "[ . 1]" 1
212 1 32 LEU HB3 1 32 LEU MD2 4.000 . 6.000 2.024 1.887 2.173 0.113 7 0 "[ . 1]" 1
213 1 32 LEU HB2 1 32 LEU MD2 3.000 . 4.100 2.813 2.626 3.034 . 0 0 "[ . 1]" 1
214 1 39 LYS HB3 1 43 GLY HA3 4.900 . 6.000 4.103 3.617 4.411 . 0 0 "[ . 1]" 1
215 1 39 LYS HB3 1 43 GLY HA2 2.400 . 3.100 2.648 1.954 2.991 . 0 0 "[ . 1]" 1
216 1 27 LEU QB 1 31 ASP HB2 . . 5.000 3.722 3.571 3.857 . 0 0 "[ . 1]" 1
217 1 27 LEU QB 1 31 ASP HB3 3.100 . 4.300 2.956 2.816 3.058 . 0 0 "[ . 1]" 1
218 1 27 LEU QB 1 27 LEU MD1 2.700 . 3.400 2.059 1.997 2.106 . 0 0 "[ . 1]" 1
219 1 27 LEU HA 1 27 LEU QB 3.400 . 4.300 2.423 2.393 2.452 . 0 0 "[ . 1]" 1
220 1 27 LEU QB 1 27 LEU MD2 2.600 . 3.400 2.402 2.317 2.483 . 0 0 "[ . 1]" 1
221 1 38 LYS H 1 40 ASP HA 1.600 . 2.200 2.593 2.484 3.302 1.102 7 1 "[ . + 1]" 1
222 1 53 THR HA 1 54 LYS H 1.400 . 2.200 2.153 2.118 2.190 . 0 0 "[ . 1]" 1
223 1 44 ARG QB 1 45 ASP H 1.200 . 2.200 1.636 1.377 2.178 . 0 0 "[ . 1]" 1
224 1 44 ARG QG 1 45 ASP H 2.100 . 2.700 2.376 1.521 2.756 0.056 10 0 "[ . 1]" 1
225 1 12 ALA H 1 32 LEU HA 1.500 . 2.200 2.489 2.334 2.621 0.421 4 0 "[ . 1]" 1
226 1 45 ASP H 1 45 ASP QB . . 2.300 2.252 2.185 2.415 0.115 10 0 "[ . 1]" 1
227 1 31 ASP H 1 31 ASP HB2 1.500 . 2.200 2.263 2.221 2.293 0.093 4 0 "[ . 1]" 1
228 1 9 PHE HB3 1 10 ALA H 1.400 . 2.200 2.135 1.938 2.218 0.018 2 0 "[ . 1]" 1
229 1 16 PHE H 1 27 LEU QB 1.600 . 2.200 1.672 1.554 1.824 . 0 0 "[ . 1]" 1
230 1 54 LYS H 1 54 LYS HG3 1.500 . 2.200 2.357 2.235 3.072 0.872 3 1 "[ + . 1]" 1
231 1 38 LYS H 1 38 LYS QB . . 2.200 2.421 2.308 2.560 0.360 6 0 "[ . 1]" 1
232 1 47 ASP H 1 47 ASP QB 2.000 . 2.500 2.448 2.294 2.504 0.004 5 0 "[ . 1]" 1
233 1 12 ALA MB 1 31 ASP H 1.800 . 2.200 2.280 2.245 2.341 0.141 4 0 "[ . 1]" 1
234 1 9 PHE H 1 9 PHE HA 2.000 . 2.500 2.366 2.254 2.816 0.316 9 0 "[ . 1]" 1
235 1 31 ASP H 1 31 ASP HB3 2.000 . 2.500 2.673 2.656 2.703 0.203 8 0 "[ . 1]" 1
236 1 24 GLU QG 1 25 VAL H 2.000 . 2.500 1.975 1.601 2.190 . 0 0 "[ . 1]" 1
237 1 16 PHE H 1 16 PHE HA 2.000 . 2.500 2.867 2.852 2.880 0.380 8 0 "[ . 1]" 1
238 1 22 GLU HG2 1 23 MET H 2.600 . 3.400 3.512 2.364 4.368 0.968 4 3 "[- +* 1]" 1
239 1 44 ARG H 1 44 ARG QB . . 2.200 2.163 2.083 2.275 0.075 7 0 "[ . 1]" 1
240 1 68 ILE H 1 68 ILE MD 2.200 . 2.800 2.128 1.728 2.431 . 0 0 "[ . 1]" 1
241 1 9 PHE H 1 69 ILE QG 2.200 . 2.800 2.674 1.724 2.830 0.030 2 0 "[ . 1]" 1
242 1 68 ILE H 1 68 ILE MG 3.300 . 4.600 3.788 3.683 3.831 . 0 0 "[ . 1]" 1
243 1 24 GLU HA 1 60 TYR H 2.200 . 2.800 2.306 1.738 3.057 0.257 7 0 "[ . 1]" 1
244 1 40 ASP H 1 40 ASP HB2 2.900 . 3.900 3.468 3.281 3.665 . 0 0 "[ . 1]" 1
245 1 61 ILE HG12 1 65 TYR H 3.100 . 4.300 4.422 3.503 5.149 0.849 7 2 "[ -. + 1]" 1
246 1 34 ALA H 1 51 VAL QG 2.900 . 4.000 2.808 2.275 4.061 0.061 9 0 "[ . 1]" 1
247 1 49 TRP H 1 61 ILE H 2.600 . 3.400 3.275 2.863 3.454 0.054 6 0 "[ . 1]" 1
248 1 13 LEU QB 1 14 TYR H 2.500 . 3.300 2.360 1.947 3.277 . 0 0 "[ . 1]" 1
249 1 53 THR H 1 57 ASN H 2.500 . 3.300 2.836 2.604 2.937 . 0 0 "[ . 1]" 1
250 1 20 ASN H 1 20 ASN HB3 2.700 . 3.600 3.162 2.804 3.414 . 0 0 "[ . 1]" 1
251 1 54 LYS H 1 54 LYS HD2 3.600 . 5.200 4.332 4.032 5.074 . 0 0 "[ . 1]" 1
252 1 46 SER H 1 47 ASP H 3.700 . 5.400 4.343 4.240 4.688 . 0 0 "[ . 1]" 1
253 1 11 ARG H 1 11 ARG HB3 2.700 . 3.600 2.924 2.755 3.097 . 0 0 "[ . 1]" 1
254 1 55 ASN H 1 56 GLY H 2.800 . 3.800 2.756 2.657 2.878 . 0 0 "[ . 1]" 1
255 1 24 GLU QG 1 60 TYR H 2.500 . 3.300 2.504 2.135 3.109 . 0 0 "[ . 1]" 1
256 1 68 ILE H 1 68 ILE QG 3.900 . 5.800 3.125 2.026 3.629 . 0 0 "[ . 1]" 1
257 1 33 MET HB3 1 34 ALA H 2.700 . 3.600 2.520 2.284 2.755 . 0 0 "[ . 1]" 1
258 1 24 GLU HB3 1 60 TYR H 3.500 . 5.000 4.743 4.057 5.633 0.633 7 1 "[ . + 1]" 1
259 1 10 ALA MB 1 11 ARG H 3.000 . 4.100 2.441 2.302 2.570 . 0 0 "[ . 1]" 1
260 1 28 LYS HA 1 29 LYS H 2.500 . 3.300 2.141 2.119 2.162 . 0 0 "[ . 1]" 1
261 1 58 ILE H 1 58 ILE HB 3.100 . 4.300 2.750 2.547 3.000 . 0 0 "[ . 1]" 1
262 1 50 LYS QD 1 51 VAL H 2.900 . 4.000 2.949 2.630 3.401 . 0 0 "[ . 1]" 1
263 1 44 ARG H 1 44 ARG QG 3.900 . 5.800 3.853 3.725 3.975 . 0 0 "[ . 1]" 1
264 1 36 LEU H 1 36 LEU QB . . 2.600 2.498 2.397 2.557 . 0 0 "[ . 1]" 1
265 1 29 LYS H 1 29 LYS HB3 2.600 . 3.500 3.472 3.082 3.855 0.355 4 0 "[ . 1]" 1
266 1 42 LEU HA 1 43 GLY H 3.400 . 4.800 3.419 2.323 3.565 . 0 0 "[ . 1]" 1
267 1 10 ALA HA 1 11 ARG H 3.000 . 4.100 2.352 2.262 2.401 . 0 0 "[ . 1]" 1
268 1 32 LEU H 1 32 LEU HB3 3.100 . 4.300 3.642 3.094 3.878 . 0 0 "[ . 1]" 1
269 1 22 GLU HB3 1 23 MET H 3.400 . 4.800 3.065 2.640 3.951 . 0 0 "[ . 1]" 1
270 1 42 LEU H 1 42 LEU HG 3.500 . 5.100 3.267 1.946 4.483 . 0 0 "[ . 1]" 1
271 1 39 LYS H 1 43 GLY HA2 2.800 . 3.800 2.438 1.977 2.852 . 0 0 "[ . 1]" 1
272 1 56 GLY H 1 57 ASN QB 5.200 . 6.000 4.271 3.997 4.596 . 0 0 "[ . 1]" 1
273 1 50 LYS QG 1 51 VAL H 4.300 . 6.000 3.917 3.684 4.163 . 0 0 "[ . 1]" 1
274 1 58 ILE H 1 58 ILE MD 4.400 . 6.000 3.466 3.235 3.815 . 0 0 "[ . 1]" 1
275 1 9 PHE H 1 9 PHE HB3 3.500 . 5.000 4.058 3.810 4.132 . 0 0 "[ . 1]" 1
276 1 35 ILE H 1 35 ILE HG13 2.600 . 3.500 2.359 1.530 3.535 0.170 7 0 "[ . 1]" 1
277 1 12 ALA H 1 12 ALA MB 2.900 . 4.000 2.384 2.353 2.413 . 0 0 "[ . 1]" 1
278 1 20 ASN H 1 20 ASN HB2 3.800 . 5.600 2.750 2.646 2.986 . 0 0 "[ . 1]" 1
279 1 23 MET HB2 1 24 GLU H 4.500 . 6.000 4.545 4.501 4.587 . 0 0 "[ . 1]" 1
280 1 14 TYR HB2 1 15 ASP H 3.200 . 4.500 3.737 3.394 4.387 . 0 0 "[ . 1]" 1
281 1 51 VAL HB 1 52 ARG H 3.600 . 5.300 3.504 2.325 4.258 . 0 0 "[ . 1]" 1
282 1 42 LEU H 1 42 LEU QB 3.000 . 4.100 2.416 2.048 2.756 . 0 0 "[ . 1]" 1
283 1 68 ILE H 1 68 ILE HB 3.300 . 4.700 2.612 2.414 2.997 . 0 0 "[ . 1]" 1
284 1 64 ASN HA 1 65 TYR H 3.600 . 5.200 3.330 3.122 3.532 . 0 0 "[ . 1]" 1
285 1 52 ARG H 1 52 ARG QB 3.300 . 4.700 2.534 2.382 2.597 . 0 0 "[ . 1]" 1
286 1 67 GLU H 1 67 GLU HB3 3.200 . 4.500 2.778 2.328 3.670 . 0 0 "[ . 1]" 1
287 1 9 PHE H 1 9 PHE HB2 4.300 . 6.000 3.393 2.881 3.662 . 0 0 "[ . 1]" 1
288 1 61 ILE MD 1 65 TYR H 4.500 . 6.000 3.952 2.890 4.413 . 0 0 "[ . 1]" 1
289 1 35 ILE MG 1 36 LEU H 4.000 . 6.000 3.265 2.183 3.729 . 0 0 "[ . 1]" 1
290 1 50 LYS H 1 51 VAL H 4.200 . 6.000 4.474 4.400 4.539 . 0 0 "[ . 1]" 1
291 1 31 ASP HB3 1 32 LEU H 3.400 . 4.900 3.505 2.918 4.144 . 0 0 "[ . 1]" 1
292 1 35 ILE MD 1 36 LEU H 4.900 . 6.000 4.589 3.772 5.141 . 0 0 "[ . 1]" 1
293 1 49 TRP H 1 60 TYR HB3 5.600 . 6.000 4.675 4.087 4.927 . 0 0 "[ . 1]" 1
294 1 36 LEU QD 1 37 SER H 4.400 . 6.000 3.642 3.336 3.955 . 0 0 "[ . 1]" 1
295 1 11 ARG H 1 69 ILE MD 4.000 . 6.000 3.485 2.889 5.158 . 0 0 "[ . 1]" 1
296 1 44 ARG HA 1 45 ASP H 3.900 . 5.800 3.140 2.854 3.382 . 0 0 "[ . 1]" 1
297 1 39 LYS H 1 39 LYS QG 4.100 . 6.000 3.716 3.397 3.926 . 0 0 "[ . 1]" 1
298 1 13 LEU H 1 13 LEU QB . . 4.000 2.204 2.043 2.673 . 0 0 "[ . 1]" 1
299 1 24 GLU H 1 24 GLU HB2 3.500 . 5.000 3.264 3.193 3.410 . 0 0 "[ . 1]" 1
300 1 31 ASP HA 1 32 LEU H 3.700 . 5.400 2.484 2.237 2.726 . 0 0 "[ . 1]" 1
301 1 69 ILE H 1 69 ILE QG 4.000 . 6.000 1.921 1.491 2.711 0.509 10 1 "[ . +]" 1
302 1 57 ASN HA 1 57 ASN HD22 4.200 . 6.000 4.544 3.771 4.936 . 0 0 "[ . 1]" 1
303 1 61 ILE HG12 1 66 ILE H 4.400 . 6.000 4.579 3.736 5.284 . 0 0 "[ . 1]" 1
304 1 68 ILE HA 1 69 ILE H 3.200 . 4.400 2.187 2.143 2.327 . 0 0 "[ . 1]" 1
305 1 45 ASP HA 1 46 SER H 3.800 . 5.600 2.767 2.090 3.433 . 0 0 "[ . 1]" 1
306 1 27 LEU HA 1 28 LYS H 3.000 . 4.200 2.194 2.150 2.317 . 0 0 "[ . 1]" 1
307 1 63 TYR H 1 63 TYR HB2 4.300 . 6.000 3.024 2.818 3.200 . 0 0 "[ . 1]" 1
308 1 25 VAL HA 1 26 ALA H 3.500 . 5.000 2.304 2.252 2.415 . 0 0 "[ . 1]" 1
309 1 61 ILE HG13 1 66 ILE H 4.700 . 6.000 4.996 3.730 6.027 0.027 6 0 "[ . 1]" 1
310 1 51 VAL H 1 51 VAL QG 3.900 . 5.800 2.463 2.117 2.820 . 0 0 "[ . 1]" 1
311 1 58 ILE HA 1 59 GLY H 3.300 . 4.700 2.159 2.128 2.218 . 0 0 "[ . 1]" 1
312 1 14 TYR H 1 14 TYR QD 3.800 . 5.600 2.836 2.451 3.040 . 0 0 "[ . 1]" 1
313 1 15 ASP HA 1 16 PHE H 2.900 . 3.900 2.202 2.195 2.215 . 0 0 "[ . 1]" 1
314 1 25 VAL MG2 1 59 GLY H 3.700 . 5.400 4.262 3.380 5.197 . 0 0 "[ . 1]" 1
315 1 60 TYR HB2 1 61 ILE H 3.100 . 4.300 3.393 3.178 3.615 . 0 0 "[ . 1]" 1
316 1 42 LEU QB 1 43 GLY H 3.800 . 5.600 2.452 1.683 3.807 0.317 10 0 "[ . 1]" 1
317 1 65 TYR H 1 66 ILE H 3.300 . 4.700 2.270 1.964 2.598 . 0 0 "[ . 1]" 1
318 1 29 LYS HA 1 30 GLY H 3.500 . 5.000 2.386 2.097 3.487 . 0 0 "[ . 1]" 1
319 1 33 MET H 1 33 MET HB2 3.500 . 5.000 2.777 2.458 3.330 . 0 0 "[ . 1]" 1
320 1 32 LEU H 1 32 LEU HB2 4.500 . 6.000 2.627 2.337 2.930 . 0 0 "[ . 1]" 1
321 1 18 PRO HA 1 19 GLU H 3.100 . 4.300 2.222 2.158 2.255 . 0 0 "[ . 1]" 1
322 1 9 PHE HA 1 10 ALA H 4.400 . 6.000 3.463 3.342 3.550 . 0 0 "[ . 1]" 1
323 1 39 LYS HA 1 46 SER H 4.600 . 6.000 5.618 4.564 6.082 0.082 8 0 "[ . 1]" 1
324 1 14 TYR HA 1 15 ASP H 3.400 . 4.900 2.292 2.120 2.451 . 0 0 "[ . 1]" 1
325 1 11 ARG HA 1 12 ALA H 3.400 . 4.900 2.412 2.333 2.467 . 0 0 "[ . 1]" 1
326 1 26 ALA HA 1 27 LEU H 3.300 . 4.700 2.185 2.130 2.238 . 0 0 "[ . 1]" 1
327 1 57 ASN H 1 57 ASN QB 4.500 . 6.000 2.471 2.145 2.762 . 0 0 "[ . 1]" 1
328 1 65 TYR HB3 1 66 ILE H 4.500 . 6.000 4.120 3.522 4.442 . 0 0 "[ . 1]" 1
329 1 65 TYR H 1 66 ILE MD 5.500 . 6.000 4.668 4.309 4.988 . 0 0 "[ . 1]" 1
330 1 34 ALA HA 1 35 ILE H 3.200 . 4.500 2.212 2.175 2.338 . 0 0 "[ . 1]" 1
331 1 23 MET H 1 24 GLU H 4.400 . 6.000 3.672 3.634 3.694 . 0 0 "[ . 1]" 1
332 1 59 GLY HA3 1 60 TYR H 4.500 . 6.000 2.283 2.181 2.498 . 0 0 "[ . 1]" 1
333 1 19 GLU H 1 19 GLU HB3 3.800 . 5.600 2.797 2.226 3.539 . 0 0 "[ . 1]" 1
334 1 51 VAL QG 1 52 ARG H 4.000 . 6.000 2.344 1.837 3.032 0.163 7 0 "[ . 1]" 1
335 1 28 LYS H 1 28 LYS HB3 4.200 . 6.000 3.308 2.699 3.766 . 0 0 "[ . 1]" 1
336 1 46 SER HA 1 47 ASP H 4.000 . 6.000 2.418 2.289 2.806 . 0 0 "[ . 1]" 1
337 1 53 THR HB 1 54 LYS H 4.700 . 6.000 3.414 3.171 3.633 . 0 0 "[ . 1]" 1
338 1 12 ALA MB 1 30 GLY H 4.100 . 6.000 3.190 2.666 4.618 . 0 0 "[ . 1]" 1
339 1 54 LYS H 1 54 LYS HB3 4.700 . 6.000 3.917 3.886 3.945 . 0 0 "[ . 1]" 1
340 1 37 SER HA 1 38 LYS H 3.800 . 5.600 2.411 2.253 2.507 . 0 0 "[ . 1]" 1
341 1 20 ASN H 1 23 MET HB3 5.100 . 6.000 6.153 6.117 6.173 0.173 6 0 "[ . 1]" 1
342 1 53 THR H 1 53 THR HB 4.700 . 6.000 3.693 3.623 3.770 . 0 0 "[ . 1]" 1
343 1 42 LEU HG 1 43 GLY H 4.800 . 6.000 4.604 3.493 5.369 . 0 0 "[ . 1]" 1
344 1 39 LYS QD 1 46 SER H 4.900 . 6.000 4.465 2.971 5.661 . 0 0 "[ . 1]" 1
345 1 56 GLY H 1 56 GLY QA 4.000 . 5.000 2.432 2.289 2.497 . 0 0 "[ . 1]" 1
346 1 25 VAL H 1 25 VAL MG1 4.000 . 6.000 2.161 1.912 2.759 0.088 10 0 "[ . 1]" 1
347 1 19 GLU H 1 20 ASN H 3.800 . 5.600 2.714 2.658 2.795 . 0 0 "[ . 1]" 1
348 1 34 ALA H 1 34 ALA MB 4.100 . 6.000 2.275 2.214 2.383 . 0 0 "[ . 1]" 1
349 1 9 PHE H 1 69 ILE H 5.000 . 6.000 4.501 4.242 4.795 . 0 0 "[ . 1]" 1
350 1 25 VAL H 1 60 TYR H 4.400 . 6.000 3.286 2.960 3.829 . 0 0 "[ . 1]" 1
351 1 27 LEU QB 1 28 LYS H 4.600 . 6.000 2.902 2.458 3.190 . 0 0 "[ . 1]" 1
352 1 39 LYS H 1 39 LYS HB3 3.000 . 4.200 3.059 2.794 3.308 . 0 0 "[ . 1]" 1
353 1 61 ILE H 1 61 ILE MG 3.700 . 5.400 2.562 2.330 2.703 . 0 0 "[ . 1]" 1
354 1 49 TRP HA 1 50 LYS H 3.800 . 5.600 2.306 2.150 2.395 . 0 0 "[ . 1]" 1
355 1 41 PRO HD3 1 42 LEU H 3.800 . 5.600 3.822 3.332 4.510 . 0 0 "[ . 1]" 1
356 1 16 PHE H 1 16 PHE QB . . 2.800 2.339 2.312 2.385 . 0 0 "[ . 1]" 1
357 1 26 ALA MB 1 27 LEU H 5.100 . 6.000 3.186 2.860 3.421 . 0 0 "[ . 1]" 1
358 1 20 ASN HD22 1 22 GLU HB3 5.100 . 6.000 4.567 3.571 5.383 . 0 0 "[ . 1]" 1
359 1 36 LEU HG 1 37 SER H 5.700 . 6.000 5.037 4.413 6.014 0.014 9 0 "[ . 1]" 1
360 1 15 ASP H 1 29 LYS HB3 4.200 . 6.000 4.390 3.931 5.642 . 0 0 "[ . 1]" 1
361 1 35 ILE H 1 35 ILE HB 4.700 . 6.000 3.432 2.597 3.662 . 0 0 "[ . 1]" 1
362 1 48 TRP H 1 48 TRP HB2 4.200 . 6.000 2.857 2.528 2.986 . 0 0 "[ . 1]" 1
363 1 10 ALA MB 1 69 ILE H 5.400 . 6.000 3.947 3.433 4.199 . 0 0 "[ . 1]" 1
364 1 12 ALA H 1 31 ASP H 4.800 . 6.000 4.276 4.035 4.468 . 0 0 "[ . 1]" 1
365 1 58 ILE HB 1 59 GLY H 5.400 . 6.000 4.213 4.038 4.352 . 0 0 "[ . 1]" 1
366 1 25 VAL MG1 1 53 THR H 5.800 . 6.000 4.267 3.077 4.914 . 0 0 "[ . 1]" 1
367 1 24 GLU HA 1 25 VAL H 3.900 . 5.800 2.439 2.424 2.452 . 0 0 "[ . 1]" 1
368 1 35 ILE MG 1 37 SER H 5.500 . 6.000 4.402 1.884 5.685 . 0 0 "[ . 1]" 1
369 1 38 LYS H 1 39 LYS H 5.200 . 6.000 3.615 3.486 3.901 . 0 0 "[ . 1]" 1
370 1 25 VAL HB 1 26 ALA H 4.400 . 6.000 3.163 2.337 3.568 . 0 0 "[ . 1]" 1
371 1 38 LYS HA 1 39 LYS H 4.900 . 6.000 3.332 3.191 3.386 . 0 0 "[ . 1]" 1
372 1 25 VAL MG1 1 26 ALA H 4.600 . 6.000 3.989 3.547 4.219 . 0 0 "[ . 1]" 1
373 1 36 LEU QB 1 37 SER H 4.700 . 6.000 2.610 1.857 3.878 0.143 5 0 "[ . 1]" 1
374 1 9 PHE H 1 69 ILE MD 5.500 . 6.000 3.552 1.922 4.290 . 0 0 "[ . 1]" 1
375 1 50 LYS H 1 50 LYS HB2 3.900 . 5.800 3.660 3.599 3.704 . 0 0 "[ . 1]" 1
376 1 34 ALA MB 1 35 ILE H 5.000 . 6.000 3.093 2.764 3.382 . 0 0 "[ . 1]" 1
377 1 57 ASN QB 1 58 ILE H 5.100 . 6.000 3.690 3.429 3.829 . 0 0 "[ . 1]" 1
378 1 29 LYS QG 1 30 GLY H 4.900 . 6.000 3.191 2.721 3.748 . 0 0 "[ . 1]" 1
379 1 38 LYS HA 1 49 TRP HE1 4.700 . 6.000 3.198 2.714 3.843 . 0 0 "[ . 1]" 1
380 1 22 GLU HA 1 23 MET H 5.300 . 6.000 3.555 3.539 3.575 . 0 0 "[ . 1]" 1
381 1 10 ALA H 1 10 ALA MB 4.300 . 6.000 2.638 2.568 2.748 . 0 0 "[ . 1]" 1
382 1 28 LYS H 1 31 ASP HA 6.000 . 6.000 4.540 4.232 4.738 . 0 0 "[ . 1]" 1
383 1 10 ALA HA 1 69 ILE H 4.400 . 6.000 2.695 2.068 2.990 . 0 0 "[ . 1]" 1
384 1 36 LEU QB 1 52 ARG H 3.200 . 4.500 5.326 4.486 5.747 1.247 1 8 "[+ *****- *]" 1
385 1 55 ASN HA 1 55 ASN HD21 4.900 . 6.000 3.358 2.263 4.534 . 0 0 "[ . 1]" 1
386 1 12 ALA H 1 27 LEU MD1 5.600 . 6.000 4.435 4.191 4.802 . 0 0 "[ . 1]" 1
387 1 27 LEU H 1 27 LEU HG 4.700 . 6.000 3.232 2.893 3.575 . 0 0 "[ . 1]" 1
388 1 12 ALA MB 1 14 TYR H 5.100 . 6.000 4.010 3.284 4.755 . 0 0 "[ . 1]" 1
389 1 61 ILE H 1 61 ILE HG12 5.400 . 6.000 4.765 4.373 5.152 . 0 0 "[ . 1]" 1
390 1 10 ALA H 1 69 ILE MD 4.600 . 6.000 3.228 2.710 3.904 . 0 0 "[ . 1]" 1
391 1 16 PHE H 1 27 LEU H 4.700 . 6.000 3.042 2.780 3.273 . 0 0 "[ . 1]" 1
392 1 34 ALA MB 1 52 ARG H 4.900 . 6.000 3.286 3.151 3.481 . 0 0 "[ . 1]" 1
393 1 49 TRP HE1 1 63 TYR HB2 4.700 . 6.000 3.950 3.285 4.477 . 0 0 "[ . 1]" 1
394 1 63 TYR H 1 64 ASN H 4.400 . 6.000 3.232 2.564 4.162 . 0 0 "[ . 1]" 1
395 1 30 GLY H 1 31 ASP H 4.400 . 6.000 2.585 2.348 3.145 . 0 0 "[ . 1]" 1
396 1 36 LEU HA 1 37 SER H 5.000 . 6.000 3.389 2.712 3.573 . 0 0 "[ . 1]" 1
397 1 60 TYR QD 1 61 ILE H 5.900 . 6.000 3.689 3.412 4.017 . 0 0 "[ . 1]" 1
398 1 37 SER H 1 37 SER QB 4.700 . 6.000 2.366 2.084 2.894 . 0 0 "[ . 1]" 1
399 1 33 MET H 1 33 MET QG 5.800 . 6.000 3.626 2.647 4.035 . 0 0 "[ . 1]" 1
400 1 50 LYS H 1 51 VAL QG 5.700 . 6.000 4.649 3.795 5.157 . 0 0 "[ . 1]" 1
401 1 14 TYR H 1 29 LYS HA 5.100 . 6.000 4.294 2.896 4.750 . 0 0 "[ . 1]" 1
402 1 55 ASN HA 1 56 GLY H 4.600 . 6.000 2.784 2.681 3.138 . 0 0 "[ . 1]" 1
403 1 31 ASP HB2 1 32 LEU H 5.500 . 6.000 4.037 3.667 4.473 . 0 0 "[ . 1]" 1
404 1 52 ARG QB 1 53 THR H 5.800 . 6.000 3.544 3.114 3.913 . 0 0 "[ . 1]" 1
405 1 49 TRP H 1 60 TYR QD 5.900 . 6.000 5.071 4.269 5.726 . 0 0 "[ . 1]" 1
406 1 16 PHE H 1 27 LEU MD1 6.000 . 6.000 3.463 3.254 3.644 . 0 0 "[ . 1]" 1
407 1 45 ASP QB 1 46 SER H 6.000 . 6.000 2.444 1.606 3.493 0.294 8 0 "[ . 1]" 1
408 1 18 PRO HA 1 20 ASN H 5.400 . 6.000 3.506 3.339 3.662 . 0 0 "[ . 1]" 1
409 1 10 ALA H 1 33 MET HB2 5.400 . 6.000 5.342 5.117 5.680 . 0 0 "[ . 1]" 1
410 1 18 PRO HB3 1 20 ASN H 5.500 . 6.000 3.763 3.627 4.215 . 0 0 "[ . 1]" 1
411 1 63 TYR QE 1 64 ASN H 6.000 . 6.000 5.046 4.816 5.241 . 0 0 "[ . 1]" 1
412 1 11 ARG HG3 1 32 LEU H 6.000 . 6.000 5.312 4.351 5.931 . 0 0 "[ . 1]" 1
413 1 21 PRO HB3 1 22 GLU H 6.000 . 6.000 4.658 4.645 4.667 . 0 0 "[ . 1]" 1
414 1 13 LEU H 1 29 LYS QG 6.000 . 6.000 5.761 5.647 5.862 . 0 0 "[ . 1]" 1
415 1 37 SER QB 1 40 ASP H 6.000 . 6.000 4.416 3.551 5.005 . 0 0 "[ . 1]" 1
416 1 16 PHE QB 1 27 LEU H 4.300 . 6.000 2.562 2.264 2.991 . 0 0 "[ . 1]" 1
417 1 9 PHE HA 1 35 ILE H 5.900 . 6.000 4.136 3.690 4.679 . 0 0 "[ . 1]" 1
418 1 53 THR MG 1 54 LYS H 6.000 . 6.000 4.330 4.263 4.413 . 0 0 "[ . 1]" 1
419 1 62 PRO HB2 1 64 ASN H 4.500 . 6.000 3.322 2.640 4.253 . 0 0 "[ . 1]" 1
420 1 25 VAL H 1 59 GLY HA3 6.000 . 6.000 3.175 2.303 4.052 . 0 0 "[ . 1]" 1
421 1 60 TYR H 1 60 TYR HB3 4.300 . 6.000 3.758 3.669 3.840 . 0 0 "[ . 1]" 1
422 1 15 ASP H 1 29 LYS QG 6.000 . 6.000 2.424 1.506 3.680 . 0 0 "[ . 1]" 1
423 1 49 TRP HB3 1 50 LYS H 6.000 . 6.000 2.455 2.247 2.860 . 0 0 "[ . 1]" 1
424 1 54 LYS HB3 1 55 ASN H 5.500 . 6.000 4.509 4.442 4.533 . 0 0 "[ . 1]" 1
425 1 46 SER QB 1 48 TRP H 5.200 . 6.000 4.216 4.050 4.445 . 0 0 "[ . 1]" 1
426 1 9 PHE H 1 9 PHE QE 6.000 . 6.000 5.120 4.823 5.851 . 0 0 "[ . 1]" 1
427 1 39 LYS H 1 40 ASP HA 6.000 . 6.000 4.545 4.466 4.838 . 0 0 "[ . 1]" 1
428 1 50 LYS H 1 60 TYR QE 6.000 . 6.000 5.079 4.277 5.703 . 0 0 "[ . 1]" 1
429 1 42 LEU H 1 44 ARG H 5.800 . 6.000 4.297 3.984 5.118 . 0 0 "[ . 1]" 1
430 1 36 LEU H 1 52 ARG H 3.600 . 5.300 4.984 4.371 5.400 0.100 4 0 "[ . 1]" 1
431 1 54 LYS HG3 1 55 ASN H 6.000 . 6.000 4.555 4.392 5.183 . 0 0 "[ . 1]" 1
432 1 20 ASN HD21 1 22 GLU HB3 5.200 . 6.000 3.870 2.009 6.016 0.016 7 0 "[ . 1]" 1
433 1 48 TRP HA 1 63 TYR H 5.100 . 6.000 2.664 2.434 3.118 . 0 0 "[ . 1]" 1
434 1 16 PHE QD 1 27 LEU H 5.800 . 6.000 3.312 2.992 3.749 . 0 0 "[ . 1]" 1
435 1 18 PRO HD3 1 27 LEU H 3.700 . 5.400 4.295 4.135 4.461 . 0 0 "[ . 1]" 1
436 1 14 TYR H 1 29 LYS QG 6.000 . 6.000 4.136 1.953 4.788 . 0 0 "[ . 1]" 1
437 1 43 GLY HA2 1 44 ARG H 5.000 . 6.000 2.874 2.462 3.231 . 0 0 "[ . 1]" 1
438 1 55 ASN HB3 1 56 GLY H 6.000 . 6.000 4.453 4.230 4.584 . 0 0 "[ . 1]" 1
439 1 21 PRO HA 1 24 GLU H 3.700 . 5.400 5.842 5.810 5.869 0.469 1 0 "[ . 1]" 1
440 1 49 TRP HB2 1 50 LYS H 4.600 . 6.000 3.609 3.426 3.976 . 0 0 "[ . 1]" 1
441 1 40 ASP H 1 44 ARG H 3.800 . 5.600 5.256 5.106 5.373 . 0 0 "[ . 1]" 1
442 1 23 MET HA 1 24 GLU H 5.200 . 6.000 2.208 2.191 2.223 . 0 0 "[ . 1]" 1
443 1 54 LYS HA 1 55 ASN H 5.400 . 6.000 2.941 2.866 3.010 . 0 0 "[ . 1]" 1
444 1 43 GLY HA3 1 44 ARG H 6.000 . 6.000 3.496 3.296 3.555 . 0 0 "[ . 1]" 1
445 1 34 ALA H 1 53 THR HA 5.400 . 6.000 3.560 3.098 3.833 . 0 0 "[ . 1]" 1
446 1 64 ASN HA 1 66 ILE H 6.000 . 6.000 3.811 3.444 4.379 . 0 0 "[ . 1]" 1
447 1 37 SER HA 1 39 LYS H 6.000 . 6.000 5.925 5.704 6.128 0.128 9 0 "[ . 1]" 1
448 1 21 PRO HD2 1 22 GLU H 6.000 . 6.000 3.877 3.774 4.097 . 0 0 "[ . 1]" 1
449 1 18 PRO HD3 1 26 ALA H 6.000 . 6.000 3.914 3.383 4.504 . 0 0 "[ . 1]" 1
450 1 49 TRP H 1 62 PRO HA 6.000 . 6.000 3.501 3.251 3.752 . 0 0 "[ . 1]" 1
451 1 54 LYS H 1 55 ASN H 5.200 . 6.000 2.778 2.698 2.875 . 0 0 "[ . 1]" 1
452 1 50 LYS HB2 1 51 VAL H 6.000 . 6.000 3.255 2.943 3.482 . 0 0 "[ . 1]" 1
453 1 10 ALA H 1 33 MET HB3 6.000 . 6.000 5.663 5.413 6.172 0.172 10 0 "[ . 1]" 1
454 1 65 TYR HA 1 66 ILE H 5.900 . 6.000 3.233 3.100 3.486 . 0 0 "[ . 1]" 1
455 1 28 LYS H 1 31 ASP HB3 5.900 . 6.000 2.815 2.375 3.217 . 0 0 "[ . 1]" 1
456 1 11 ARG QD 1 31 ASP H 6.000 . 6.000 5.499 5.193 5.803 . 0 0 "[ . 1]" 1
457 1 63 TYR H 1 66 ILE MD 6.000 . 6.000 4.807 4.403 5.351 . 0 0 "[ . 1]" 1
458 1 11 ARG H 1 68 ILE HA 6.000 . 6.000 3.815 2.765 4.219 . 0 0 "[ . 1]" 1
459 1 10 ALA H 1 34 ALA HA 6.000 . 6.000 2.673 2.500 2.807 . 0 0 "[ . 1]" 1
460 1 52 ARG H 1 53 THR HA 6.000 . 6.000 4.710 4.519 4.870 . 0 0 "[ . 1]" 1
461 1 9 PHE QE 1 10 ALA H 6.000 . 6.000 5.894 5.760 6.014 0.014 10 0 "[ . 1]" 1
462 1 13 LEU H 1 67 GLU H 6.000 . 6.000 3.268 2.123 3.780 . 0 0 "[ . 1]" 1
463 1 53 THR MG 1 55 ASN H 6.000 . 6.000 4.980 4.780 5.138 . 0 0 "[ . 1]" 1
464 1 64 ASN HB2 1 65 TYR H 6.000 . 6.000 3.864 3.355 4.268 . 0 0 "[ . 1]" 1
465 1 20 ASN HD21 1 21 PRO HG2 6.000 . 6.000 4.729 3.281 6.523 0.523 5 1 "[ + 1]" 1
466 1 39 LYS H 1 40 ASP H 6.000 . 6.000 2.334 2.253 2.643 . 0 0 "[ . 1]" 1
467 1 54 LYS HD2 1 55 ASN H 5.200 . 6.000 5.842 5.541 6.792 0.792 3 1 "[ + . 1]" 1
468 1 35 ILE HA 1 52 ARG H 6.000 . 6.000 3.783 3.459 4.290 . 0 0 "[ . 1]" 1
469 1 11 ARG HA 1 33 MET H 6.000 . 6.000 2.475 2.324 2.652 . 0 0 "[ . 1]" 1
470 1 19 GLU HA 1 19 GLU HB2 1.900 . 2.400 2.589 2.312 2.989 0.589 7 2 "[ - + 1]" 1
471 1 67 GLU H 1 67 GLU HB2 1.900 . 2.300 2.567 2.399 2.815 0.515 7 1 "[ . + 1]" 1
472 1 68 ILE HA 1 68 ILE MD 2.500 . 3.300 3.030 2.159 3.397 0.097 2 0 "[ . 1]" 1
473 1 48 TRP HE3 1 60 TYR HB3 1.800 . 6.000 2.322 2.236 2.364 . 0 0 "[ . 1]" 1
474 1 60 TYR HB3 1 60 TYR QD 2.000 . 2.500 2.428 2.303 2.625 0.125 1 0 "[ . 1]" 1
475 1 29 LYS HD3 1 29 LYS HE2 2.200 . 2.800 2.665 2.218 2.981 0.181 4 0 "[ . 1]" 1
476 1 20 ASN HB3 1 20 ASN HD21 2.300 . 2.900 2.710 2.141 3.534 0.634 7 4 "[ - * + *1]" 1
477 1 69 ILE HA 1 69 ILE MG 2.100 . 2.700 2.168 1.957 2.667 . 0 0 "[ . 1]" 1
478 1 60 TYR HB2 1 60 TYR QD 2.000 . 2.500 2.415 2.315 2.543 0.043 1 0 "[ . 1]" 1
479 1 9 PHE HB3 1 34 ALA MB 2.400 . 3.100 2.720 2.612 2.914 . 0 0 "[ . 1]" 1
480 1 15 ASP HA 1 29 LYS H 1.700 . 2.200 2.055 1.784 2.221 0.021 8 0 "[ . 1]" 1
481 1 60 TYR HB3 1 61 ILE H 1.800 . 2.200 2.176 2.095 2.246 0.046 3 0 "[ . 1]" 1
482 1 39 LYS HB2 1 40 ASP H 2.100 . 6.000 3.530 3.270 4.172 . 0 0 "[ . 1]" 1
483 1 9 PHE HB2 1 10 ALA H 1.800 . 2.200 2.099 1.849 2.341 0.141 4 0 "[ . 1]" 1
484 1 58 ILE HA 1 58 ILE MG 2.200 . 2.800 2.298 2.190 2.422 . 0 0 "[ . 1]" 1
485 1 48 TRP HZ3 1 60 TYR HB3 1.700 . 2.200 1.919 1.763 2.341 0.141 6 0 "[ . 1]" 1
486 1 25 VAL MG1 1 60 TYR H 2.600 . 3.500 3.162 2.794 3.750 0.250 1 0 "[ . 1]" 1
487 1 11 ARG HA 1 11 ARG HB2 2.100 . 2.700 2.613 2.504 2.676 . 0 0 "[ . 1]" 1
488 1 17 VAL HA 1 18 PRO HD3 1.800 . 2.200 2.245 2.034 2.656 0.456 3 0 "[ . 1]" 1
489 1 52 ARG HA 1 52 ARG QG 2.000 . 6.000 2.423 2.186 2.576 . 0 0 "[ . 1]" 1
490 1 11 ARG HA 1 11 ARG HG2 2.000 . 2.500 2.548 2.303 2.963 0.463 10 0 "[ . 1]" 1
491 1 27 LEU MD2 1 28 LYS H 2.700 . 3.600 3.023 2.712 3.249 . 0 0 "[ . 1]" 1
492 1 13 LEU H 1 13 LEU HG 2.400 . 3.100 3.554 2.499 4.373 1.273 1 5 "[+ * .*- *1]" 1
493 1 36 LEU HA 1 36 LEU QB 2.400 . 3.100 2.407 2.357 2.454 . 0 0 "[ . 1]" 1
494 1 39 LYS HA 1 39 LYS HB2 2.300 . 2.900 2.761 2.645 2.881 . 0 0 "[ . 1]" 1
495 1 66 ILE HA 1 66 ILE HB 2.000 . 2.500 2.559 2.519 2.595 0.095 1 0 "[ . 1]" 1
496 1 15 ASP H 1 15 ASP HB3 2.100 . 2.700 2.390 2.259 2.555 . 0 0 "[ . 1]" 1
497 1 15 ASP H 1 15 ASP HB2 2.200 . 2.800 2.660 2.473 2.817 0.017 4 0 "[ . 1]" 1
498 1 37 SER QB 1 50 LYS H 2.100 . 2.600 2.209 1.577 2.598 0.023 6 0 "[ . 1]" 1
499 1 14 TYR H 1 14 TYR HB2 2.900 . 3.900 2.847 2.553 3.629 . 0 0 "[ . 1]" 1
500 1 33 MET H 1 33 MET HA 2.300 . 2.900 2.920 2.892 2.945 0.045 8 0 "[ . 1]" 1
501 1 16 PHE QD 1 27 LEU HG 2.400 . 3.100 3.123 2.851 3.339 0.239 9 0 "[ . 1]" 1
502 1 12 ALA MB 1 13 LEU H 2.800 . 3.800 3.251 2.894 3.425 . 0 0 "[ . 1]" 1
503 1 47 ASP QB 1 63 TYR QE 3.300 . 4.700 3.860 3.564 4.154 . 0 0 "[ . 1]" 1
504 1 17 VAL H 1 17 VAL HA 2.300 . 3.000 2.900 2.883 2.911 . 0 0 "[ . 1]" 1
505 1 53 THR H 1 53 THR MG 2.100 . 2.700 1.996 1.561 2.249 . 0 0 "[ . 1]" 1
506 1 15 ASP H 1 29 LYS H 2.500 . 3.300 2.898 2.584 3.185 . 0 0 "[ . 1]" 1
507 1 24 GLU HB2 1 60 TYR H 3.200 . 4.400 4.291 3.114 5.326 0.926 7 2 "[ - + 1]" 1
508 1 18 PRO HD3 1 18 PRO HG2 2.500 . 3.300 2.793 2.719 2.980 . 0 0 "[ . 1]" 1
509 1 16 PHE QE 1 62 PRO HG3 2.300 . 3.000 2.736 2.429 3.015 0.015 3 0 "[ . 1]" 1
510 1 49 TRP H 1 49 TRP HB3 3.100 . 4.300 3.764 3.674 3.812 . 0 0 "[ . 1]" 1
511 1 62 PRO HG2 1 63 TYR H 3.400 . 6.000 5.286 5.148 5.636 . 0 0 "[ . 1]" 1
512 1 21 PRO HD3 1 22 GLU H 3.000 . 4.200 4.536 4.469 4.680 0.480 8 0 "[ . 1]" 1
513 1 40 ASP H 1 43 GLY H 3.100 . 6.000 4.504 3.475 5.671 . 0 0 "[ . 1]" 1
514 1 39 LYS H 1 39 LYS HB2 2.800 . 3.800 2.168 2.098 2.268 . 0 0 "[ . 1]" 1
515 1 17 VAL H 1 17 VAL QG 3.500 . 5.000 3.014 2.519 3.246 . 0 0 "[ . 1]" 1
516 1 25 VAL QG 1 59 GLY H 2.800 . 3.800 2.465 1.982 3.533 . 0 0 "[ . 1]" 1
517 1 16 PHE QD 1 27 LEU QB 3.500 . 5.000 3.472 3.308 3.647 . 0 0 "[ . 1]" 1
518 1 22 GLU H 1 22 GLU HB3 2.700 . 3.600 2.733 2.545 3.167 . 0 0 "[ . 1]" 1
519 1 16 PHE QD 1 61 ILE MD 2.700 . 3.600 2.617 2.327 2.910 . 0 0 "[ . 1]" 1
520 1 33 MET QG 1 55 ASN H 3.700 . 6.000 5.695 5.246 5.903 . 0 0 "[ . 1]" 1
521 1 60 TYR H 1 60 TYR QD 2.800 . 3.800 2.865 2.569 3.356 . 0 0 "[ . 1]" 1
522 1 38 LYS HE2 1 39 LYS H 2.000 . 6.000 5.917 4.925 6.665 0.665 3 1 "[ + . 1]" 1
523 1 48 TRP HB3 1 49 TRP H 3.400 . 4.800 3.885 3.738 3.960 . 0 0 "[ . 1]" 1
524 1 18 PRO HA 1 22 GLU H 3.800 . 6.000 6.059 6.037 6.074 0.074 10 0 "[ . 1]" 1
525 1 62 PRO HD2 1 62 PRO HG3 2.800 . 3.800 2.714 2.670 2.982 . 0 0 "[ . 1]" 1
526 1 63 TYR H 1 63 TYR HA 3.000 . 4.100 2.844 2.807 2.879 . 0 0 "[ . 1]" 1
527 1 29 LYS QG 1 31 ASP H 3.900 . 5.800 4.978 4.745 5.188 . 0 0 "[ . 1]" 1
528 1 49 TRP H 1 49 TRP HB2 2.700 . 3.600 2.635 2.480 2.729 . 0 0 "[ . 1]" 1
529 1 24 GLU HA 1 24 GLU QG 2.500 . 3.300 2.165 1.982 2.533 0.018 5 0 "[ . 1]" 1
530 1 35 ILE MG 1 51 VAL HA 3.600 . 5.200 3.420 2.796 4.205 . 0 0 "[ . 1]" 1
531 1 33 MET QG 1 57 ASN H 4.500 . 6.000 5.772 5.571 5.903 . 0 0 "[ . 1]" 1
532 1 9 PHE HA 1 9 PHE QE 4.100 . 6.000 4.474 4.370 4.570 . 0 0 "[ . 1]" 1
533 1 14 TYR QD 1 65 TYR HB3 4.100 . 6.000 4.226 3.726 4.811 . 0 0 "[ . 1]" 1
534 1 11 ARG HA 1 11 ARG HB3 2.800 . 3.800 2.993 2.967 3.018 . 0 0 "[ . 1]" 1
535 1 37 SER H 1 50 LYS HB3 3.600 . 5.200 3.962 3.185 5.367 0.167 9 0 "[ . 1]" 1
536 1 19 GLU HA 1 20 ASN H 3.600 . 5.200 3.511 3.483 3.544 . 0 0 "[ . 1]" 1
537 1 11 ARG HB3 1 30 GLY HA2 4.900 . 6.000 6.021 5.996 6.043 0.043 3 0 "[ . 1]" 1
538 1 67 GLU HA 1 68 ILE H 3.000 . 4.100 2.320 2.150 2.470 . 0 0 "[ . 1]" 1
539 1 49 TRP H 1 63 TYR H 3.700 . 5.400 3.541 3.141 3.773 . 0 0 "[ . 1]" 1
540 1 16 PHE HA 1 17 VAL H 3.300 . 4.700 2.466 2.410 2.556 . 0 0 "[ . 1]" 1
541 1 20 ASN HA 1 21 PRO HG3 5.100 . 6.000 4.418 4.392 4.450 . 0 0 "[ . 1]" 1
542 1 57 ASN HA 1 58 ILE H 3.200 . 4.500 2.214 2.143 2.301 . 0 0 "[ . 1]" 1
543 1 52 ARG HA 1 53 THR H 2.900 . 3.900 2.166 2.148 2.192 . 0 0 "[ . 1]" 1
544 1 42 LEU HA 1 42 LEU MD1 4.200 . 6.000 3.405 1.797 4.045 0.203 9 0 "[ . 1]" 1
545 1 13 LEU QD 1 66 ILE H 3.500 . 5.000 2.912 2.266 3.416 . 0 0 "[ . 1]" 1
546 1 59 GLY HA2 1 60 TYR H 2.900 . 4.000 2.983 2.750 3.133 . 0 0 "[ . 1]" 1
547 1 51 VAL HA 1 52 ARG H 3.200 . 4.500 2.275 2.153 2.331 . 0 0 "[ . 1]" 1
548 1 49 TRP HD1 1 50 LYS H 4.700 . 6.000 4.388 3.988 4.853 . 0 0 "[ . 1]" 1
549 1 50 LYS HA 1 51 VAL H 3.100 . 4.300 2.258 2.186 2.373 . 0 0 "[ . 1]" 1
550 1 60 TYR HA 1 61 ILE H 3.100 . 4.300 2.526 2.477 2.576 . 0 0 "[ . 1]" 1
551 1 48 TRP HA 1 49 TRP H 3.200 . 4.400 2.187 2.166 2.203 . 0 0 "[ . 1]" 1
552 1 52 ARG QG 1 56 GLY QA 4.500 . 6.000 5.075 4.178 5.539 . 0 0 "[ . 1]" 1
553 1 13 LEU HA 1 13 LEU QB 3.400 . 3.800 2.455 2.136 2.537 . 0 0 "[ . 1]" 1
554 1 38 LYS HA 1 38 LYS QD 3.700 . 5.400 2.758 2.331 3.759 . 0 0 "[ . 1]" 1
555 1 26 ALA H 1 26 ALA MB 3.500 . 5.000 2.308 2.239 2.405 . 0 0 "[ . 1]" 1
556 1 66 ILE HA 1 67 GLU H 3.000 . 4.200 2.199 2.120 2.359 . 0 0 "[ . 1]" 1
557 1 33 MET HA 1 34 ALA H 3.300 . 4.700 2.388 2.266 2.494 . 0 0 "[ . 1]" 1
558 1 42 LEU H 1 43 GLY H 3.300 . 4.700 2.780 2.432 3.853 . 0 0 "[ . 1]" 1
559 1 66 ILE HB 1 67 GLU H 3.500 . 5.000 2.971 2.421 3.609 . 0 0 "[ . 1]" 1
560 1 48 TRP H 1 48 TRP HB3 4.300 . 6.000 3.599 3.416 3.705 . 0 0 "[ . 1]" 1
561 1 12 ALA HA 1 13 LEU H 3.000 . 4.100 2.137 2.110 2.187 . 0 0 "[ . 1]" 1
562 1 25 VAL MG2 1 57 ASN HD22 5.400 . 6.000 4.748 2.708 6.370 0.370 2 0 "[ . 1]" 1
563 1 35 ILE HA 1 36 LEU H 3.100 . 4.300 2.188 2.115 2.303 . 0 0 "[ . 1]" 1
564 1 23 MET H 1 23 MET HB3 3.700 . 5.400 3.049 3.000 3.129 . 0 0 "[ . 1]" 1
565 1 39 LYS HA 1 40 ASP H 3.700 . 5.400 3.328 3.129 3.375 . 0 0 "[ . 1]" 1
566 1 62 PRO HA 1 63 TYR H 3.200 . 4.500 2.234 2.206 2.257 . 0 0 "[ . 1]" 1
567 1 17 VAL H 1 24 GLU QG 4.800 . 6.000 4.957 4.547 5.184 . 0 0 "[ . 1]" 1
568 1 11 ARG HG2 1 30 GLY HA2 4.400 . 6.000 4.241 3.699 4.704 . 0 0 "[ . 1]" 1
569 1 13 LEU QD 1 67 GLU H 4.000 . 6.000 2.732 2.140 3.717 . 0 0 "[ . 1]" 1
570 1 17 VAL H 1 17 VAL HB 3.700 . 5.500 2.923 2.781 3.300 . 0 0 "[ . 1]" 1
571 1 29 LYS HE2 1 29 LYS QG 4.200 . 6.000 2.447 2.161 3.311 . 0 0 "[ . 1]" 1
572 1 16 PHE QD 1 18 PRO HD3 4.100 . 6.000 4.329 4.026 4.614 . 0 0 "[ . 1]" 1
573 1 57 ASN H 1 58 ILE HA 4.200 . 6.000 5.017 4.873 5.173 . 0 0 "[ . 1]" 1
574 1 49 TRP HE1 1 63 TYR HB3 3.700 . 5.400 4.673 3.513 5.652 0.252 3 0 "[ . 1]" 1
575 1 36 LEU H 1 51 VAL HA 4.000 . 6.000 3.235 2.669 3.520 . 0 0 "[ . 1]" 1
576 1 38 LYS HA 1 50 LYS H 4.500 . 6.000 4.938 4.118 5.614 . 0 0 "[ . 1]" 1
577 1 20 ASN HB3 1 22 GLU H 5.300 . 6.000 2.750 2.604 3.082 . 0 0 "[ . 1]" 1
578 1 39 LYS HA 1 44 ARG H 5.300 . 6.000 4.655 4.403 4.912 . 0 0 "[ . 1]" 1
579 1 16 PHE QD 1 25 VAL MG1 3.800 . 5.600 3.730 2.912 5.081 . 0 0 "[ . 1]" 1
580 1 13 LEU H 1 66 ILE HA 3.300 . 4.600 2.131 1.872 2.405 0.128 8 0 "[ . 1]" 1
581 1 65 TYR H 1 65 TYR HB3 3.300 . 4.600 3.597 3.475 3.741 . 0 0 "[ . 1]" 1
582 1 20 ASN HA 1 21 PRO HB2 5.600 . 6.000 5.559 5.540 5.585 . 0 0 "[ . 1]" 1
583 1 36 LEU H 1 37 SER H 3.600 . 5.200 2.410 1.993 2.889 0.007 3 0 "[ . 1]" 1
584 1 16 PHE H 1 17 VAL H 4.900 . 6.000 4.581 4.555 4.608 . 0 0 "[ . 1]" 1
585 1 13 LEU H 1 14 TYR H 3.700 . 5.500 2.862 2.227 4.315 . 0 0 "[ . 1]" 1
586 1 14 TYR HB3 1 15 ASP H 4.600 . 6.000 2.844 2.348 3.664 . 0 0 "[ . 1]" 1
587 1 20 ASN HA 1 22 GLU H 4.400 . 6.000 4.093 4.021 4.281 . 0 0 "[ . 1]" 1
588 1 14 TYR H 1 66 ILE HA 5.000 . 6.000 4.618 3.998 6.126 0.126 10 0 "[ . 1]" 1
589 1 51 VAL H 1 59 GLY H 3.700 . 5.400 3.093 2.734 3.343 . 0 0 "[ . 1]" 1
590 1 50 LYS HA 1 50 LYS QG . . 3.800 3.427 3.367 3.475 . 0 0 "[ . 1]" 1
591 1 10 ALA MB 1 67 GLU H 4.600 . 6.000 4.122 3.384 4.602 . 0 0 "[ . 1]" 1
592 1 56 GLY QA 1 57 ASN H 4.100 . 6.000 2.706 2.636 2.781 . 0 0 "[ . 1]" 1
593 1 51 VAL H 1 60 TYR HA 4.300 . 6.000 3.022 2.772 3.232 . 0 0 "[ . 1]" 1
594 1 39 LYS H 1 44 ARG HA 2.800 . 6.000 6.054 5.965 6.167 0.167 7 0 "[ . 1]" 1
595 1 56 GLY H 1 57 ASN H 3.600 . 5.300 2.117 1.968 2.246 . 0 0 "[ . 1]" 1
596 1 18 PRO HG3 1 20 ASN H 5.600 . 6.000 5.816 5.621 6.287 0.287 9 0 "[ . 1]" 1
597 1 11 ARG H 1 67 GLU H 3.800 . 5.600 2.925 2.278 3.771 . 0 0 "[ . 1]" 1
598 1 25 VAL MG2 1 26 ALA H 5.300 . 6.000 2.483 1.895 3.567 . 0 0 "[ . 1]" 1
599 1 22 GLU H 1 23 MET H 3.600 . 5.200 1.927 1.870 2.016 0.130 10 0 "[ . 1]" 1
600 1 25 VAL HA 1 57 ASN HD22 5.200 . 6.000 4.894 3.193 5.970 . 0 0 "[ . 1]" 1
601 1 64 ASN H 1 65 TYR H 3.800 . 5.600 2.416 1.899 2.838 0.101 10 0 "[ . 1]" 1
602 1 67 GLU H 1 68 ILE HA 2.900 . 6.000 5.212 5.095 5.332 . 0 0 "[ . 1]" 1
603 1 30 GLY HA2 1 31 ASP H 4.300 . 6.000 3.313 3.027 3.391 . 0 0 "[ . 1]" 1
604 1 12 ALA HA 1 67 GLU H 4.600 . 6.000 3.460 2.891 3.764 . 0 0 "[ . 1]" 1
605 1 50 LYS HA 1 61 ILE H 4.700 . 6.000 3.332 3.110 3.644 . 0 0 "[ . 1]" 1
606 1 65 TYR H 1 65 TYR QD 4.300 . 6.000 3.112 2.211 3.708 . 0 0 "[ . 1]" 1
607 1 64 ASN H 1 64 ASN HB2 3.900 . 5.800 2.818 2.119 4.108 . 0 0 "[ . 1]" 1
608 1 39 LYS QE 1 42 LEU H 4.600 . 6.000 4.561 3.789 5.062 . 0 0 "[ . 1]" 1
609 1 66 ILE MG 1 67 GLU H 5.200 . 6.000 3.541 3.252 3.772 . 0 0 "[ . 1]" 1
610 1 25 VAL HB 1 57 ASN HD22 5.800 . 6.000 5.284 3.989 6.015 0.015 10 0 "[ . 1]" 1
611 1 38 LYS QB 1 49 TRP HE1 4.600 . 6.000 4.114 3.700 4.617 . 0 0 "[ . 1]" 1
612 1 67 GLU HG3 1 68 ILE H 4.300 . 6.000 3.376 1.966 5.442 . 0 0 "[ . 1]" 1
613 1 18 PRO HA 1 19 GLU HB2 5.700 . 6.000 4.761 4.304 5.753 . 0 0 "[ . 1]" 1
614 1 47 ASP HA 1 48 TRP H 4.100 . 6.000 2.179 2.131 2.216 . 0 0 "[ . 1]" 1
615 1 11 ARG HA 1 12 ALA MB 5.200 . 6.000 3.969 3.859 4.030 . 0 0 "[ . 1]" 1
616 1 14 TYR H 1 14 TYR HB3 4.000 . 6.000 3.829 3.722 4.145 . 0 0 "[ . 1]" 1
617 1 13 LEU HA 1 14 TYR H 4.900 . 6.000 3.399 2.087 3.560 . 0 0 "[ . 1]" 1
618 1 49 TRP HZ3 1 68 ILE HB 6.000 . 6.000 4.959 4.649 5.559 . 0 0 "[ . 1]" 1
619 1 29 LYS HA 1 31 ASP H 4.600 . 6.000 3.536 3.292 3.958 . 0 0 "[ . 1]" 1
620 1 12 ALA HA 1 16 PHE QB 5.800 . 6.000 5.305 5.119 5.618 . 0 0 "[ . 1]" 1
621 1 30 GLY HA3 1 31 ASP H 4.800 . 6.000 3.230 3.123 3.498 . 0 0 "[ . 1]" 1
622 1 62 PRO HB3 1 64 ASN H 5.400 . 6.000 4.581 3.583 5.778 . 0 0 "[ . 1]" 1
623 1 11 ARG HA 1 32 LEU MD1 6.000 . 6.000 4.279 3.462 4.735 . 0 0 "[ . 1]" 1
624 1 48 TRP H 1 48 TRP HD1 5.700 . 6.000 4.858 4.536 5.122 . 0 0 "[ . 1]" 1
625 1 21 PRO HA 1 22 GLU H 4.300 . 6.000 2.839 2.747 2.891 . 0 0 "[ . 1]" 1
626 1 16 PHE QD 1 17 VAL H 4.500 . 6.000 2.845 2.699 2.992 . 0 0 "[ . 1]" 1
627 1 37 SER H 1 50 LYS H 4.500 . 6.000 3.182 2.596 3.698 . 0 0 "[ . 1]" 1
628 1 12 ALA MB 1 28 LYS H 6.000 . 6.000 3.794 3.315 4.106 . 0 0 "[ . 1]" 1
629 1 53 THR MG 1 57 ASN H 5.500 . 6.000 3.401 3.124 3.663 . 0 0 "[ . 1]" 1
630 1 39 LYS HA 1 39 LYS QD 4.500 . 6.000 2.261 1.900 2.841 0.100 9 0 "[ . 1]" 1
631 1 12 ALA HA 1 14 TYR H 5.700 . 6.000 4.385 3.841 5.688 . 0 0 "[ . 1]" 1
632 1 14 TYR QD 1 15 ASP H 6.000 . 6.000 4.169 3.693 4.685 . 0 0 "[ . 1]" 1
633 1 47 ASP HA 1 49 TRP HE1 5.200 . 6.000 3.860 2.957 4.727 . 0 0 "[ . 1]" 1
634 1 16 PHE QB 1 17 VAL H 4.700 . 6.000 3.254 3.091 3.341 . 0 0 "[ . 1]" 1
635 1 15 ASP H 1 28 LYS HA 6.000 . 6.000 4.613 3.936 5.011 . 0 0 "[ . 1]" 1
636 1 63 TYR QD 1 64 ASN H 5.000 . 6.000 3.269 3.017 3.582 . 0 0 "[ . 1]" 1
637 1 37 SER H 1 51 VAL HA 3.600 . 5.200 5.056 4.844 5.662 0.462 6 0 "[ . 1]" 1
638 1 49 TRP HE1 1 63 TYR QD 3.600 . 6.000 4.746 3.732 5.312 . 0 0 "[ . 1]" 1
639 1 10 ALA MB 1 11 ARG HA 5.700 . 6.000 3.945 3.784 4.028 . 0 0 "[ . 1]" 1
640 1 14 TYR QD 1 65 TYR HB2 2.300 . 6.000 5.132 4.560 6.070 0.070 10 0 "[ . 1]" 1
641 1 61 ILE MD 1 61 ILE HG13 1.700 . 2.200 2.097 2.073 2.118 . 0 0 "[ . 1]" 1
642 1 39 LYS HB2 1 43 GLY HA2 2.700 . 3.600 2.063 1.813 2.687 . 0 0 "[ . 1]" 1
643 1 54 LYS HA 1 54 LYS HG3 2.100 . 6.000 2.877 2.747 3.408 . 0 0 "[ . 1]" 1
644 1 49 TRP HH2 1 49 TRP HZ3 2.100 . 2.600 2.441 2.432 2.445 . 0 0 "[ . 1]" 1
645 1 29 LYS HA 1 29 LYS HB3 2.300 . 3.000 2.879 2.712 2.998 . 0 0 "[ . 1]" 1
646 1 35 ILE HB 1 35 ILE MG 2.200 . 2.800 2.107 2.081 2.123 . 0 0 "[ . 1]" 1
647 1 29 LYS HA 1 29 LYS HB2 2.200 . 2.800 2.757 2.579 2.934 0.134 8 0 "[ . 1]" 1
648 1 53 THR HB 1 53 THR MG 2.100 . 2.700 2.121 2.109 2.134 . 0 0 "[ . 1]" 1
649 1 10 ALA MB 1 66 ILE MD 2.400 . 3.100 2.654 2.496 2.723 . 0 0 "[ . 1]" 1
650 1 11 ARG HB3 1 11 ARG QD 2.700 . 3.600 2.353 2.025 3.083 . 0 0 "[ . 1]" 1
651 1 49 TRP HH2 1 68 ILE QG 2.000 . 2.500 2.366 2.002 2.981 0.481 9 0 "[ . 1]" 1
652 1 35 ILE HA 1 35 ILE MG 2.200 . 2.800 2.216 2.039 2.408 . 0 0 "[ . 1]" 1
653 1 68 ILE HB 1 68 ILE MG 2.400 . 3.100 2.107 2.082 2.124 . 0 0 "[ . 1]" 1
654 1 48 TRP HA 1 48 TRP HB2 2.400 . 3.100 2.903 2.898 2.912 . 0 0 "[ . 1]" 1
655 1 16 PHE QE 1 24 GLU HB2 3.500 . 5.100 4.412 4.219 4.621 . 0 0 "[ . 1]" 1
656 1 16 PHE QE 1 61 ILE MD 2.700 . 6.000 3.419 2.929 3.890 . 0 0 "[ . 1]" 1
657 1 10 ALA HA 1 10 ALA MB 2.200 . 2.800 2.114 2.081 2.129 . 0 0 "[ . 1]" 1
658 1 27 LEU HA 1 27 LEU MD2 2.100 . 2.600 1.871 1.642 2.009 . 0 0 "[ . 1]" 1
659 1 37 SER QB 1 50 LYS HB3 2.100 . 2.700 2.073 1.619 2.471 . 0 0 "[ . 1]" 1
660 1 13 LEU QB 1 14 TYR QD 2.700 . 3.600 2.490 2.011 3.008 . 0 0 "[ . 1]" 1
661 1 42 LEU HA 1 42 LEU MD2 3.300 . 4.700 3.062 2.056 3.869 . 0 0 "[ . 1]" 1
662 1 26 ALA HA 1 26 ALA MB 2.400 . 3.100 2.109 2.086 2.128 . 0 0 "[ . 1]" 1
663 1 18 PRO HD3 1 26 ALA MB 2.300 . 3.000 2.360 1.953 2.742 . 0 0 "[ . 1]" 1
664 1 21 PRO HA 1 21 PRO HB3 2.400 . 3.100 2.314 2.308 2.317 . 0 0 "[ . 1]" 1
665 1 38 LYS HA 1 38 LYS QB 2.500 . 3.300 2.443 2.187 2.516 . 0 0 "[ . 1]" 1
666 1 20 ASN HA 1 21 PRO HD3 2.500 . 3.300 2.255 2.240 2.271 . 0 0 "[ . 1]" 1
667 1 18 PRO HD3 1 26 ALA HA 2.100 . 2.700 2.350 2.151 2.620 . 0 0 "[ . 1]" 1
668 1 64 ASN HA 1 64 ASN HB3 2.600 . 3.500 2.775 2.459 3.026 . 0 0 "[ . 1]" 1
669 1 11 ARG HA 1 32 LEU HA 1.900 . 2.400 1.893 1.636 2.031 . 0 0 "[ . 1]" 1
670 1 50 LYS HA 1 60 TYR HA 1.900 . 2.300 1.707 1.569 1.898 . 0 0 "[ . 1]" 1
671 1 25 VAL MG1 1 59 GLY HA2 3.800 . 5.600 3.655 3.363 4.339 . 0 0 "[ . 1]" 1
672 1 20 ASN HA 1 21 PRO HD2 2.300 . 3.000 2.335 2.259 2.429 . 0 0 "[ . 1]" 1
673 1 10 ALA HA 1 68 ILE HA 2.400 . 3.100 2.782 2.187 3.089 . 0 0 "[ . 1]" 1
674 1 49 TRP HA 1 60 TYR QD 2.700 . 6.000 4.355 3.778 5.515 . 0 0 "[ . 1]" 1
675 1 65 TYR HB3 1 65 TYR QR 2.600 . 3.400 2.412 2.274 2.727 . 0 0 "[ . 1]" 1
676 1 33 MET HA 1 33 MET HB3 2.400 . 3.100 2.531 2.229 2.650 . 0 0 "[ . 1]" 1
677 1 64 ASN HA 1 64 ASN HB2 2.700 . 3.600 2.741 2.372 3.023 . 0 0 "[ . 1]" 1
678 1 37 SER HA 1 37 SER QB 2.400 . 3.100 2.406 2.171 2.538 . 0 0 "[ . 1]" 1
679 1 49 TRP HH2 1 68 ILE MD 2.700 . 3.600 2.502 2.024 3.143 . 0 0 "[ . 1]" 1
680 1 66 ILE HA 1 66 ILE MG 2.300 . 3.000 2.190 2.010 2.284 . 0 0 "[ . 1]" 1
681 1 69 ILE HA 1 69 ILE HB 2.700 . 3.600 2.737 2.240 3.011 . 0 0 "[ . 1]" 1
682 1 16 PHE HA 1 16 PHE QD 2.600 . 3.500 2.598 2.530 2.768 . 0 0 "[ . 1]" 1
683 1 54 LYS HA 1 54 LYS HB3 2.400 . 3.100 2.383 2.356 2.433 . 0 0 "[ . 1]" 1
684 1 48 TRP HA 1 62 PRO HA 2.300 . 3.000 2.316 2.039 2.620 . 0 0 "[ . 1]" 1
685 1 35 ILE MG 1 49 TRP HB2 2.800 . 3.800 2.821 2.345 3.331 . 0 0 "[ . 1]" 1
686 1 18 PRO HD3 1 18 PRO HG3 2.200 . 2.800 2.292 2.273 2.303 . 0 0 "[ . 1]" 1
687 1 16 PHE QE 1 18 PRO HB2 4.400 . 6.000 6.081 5.922 6.413 0.413 7 0 "[ . 1]" 1
688 1 17 VAL QG 1 18 PRO HD3 3.700 . 5.400 2.982 2.676 3.405 . 0 0 "[ . 1]" 1
689 1 33 MET HB2 1 33 MET QG 2.500 . 3.300 2.320 2.131 2.501 . 0 0 "[ . 1]" 1
690 1 33 MET HA 1 33 MET HB2 2.700 . 3.600 2.976 2.913 3.019 . 0 0 "[ . 1]" 1
691 1 12 ALA HA 1 66 ILE HA 2.500 . 3.300 2.438 1.957 2.759 . 0 0 "[ . 1]" 1
692 1 14 TYR QD 1 65 TYR HA 2.700 . 3.600 2.655 2.064 3.633 0.033 10 0 "[ . 1]" 1
693 1 9 PHE QE 1 34 ALA MB 3.100 . 4.300 3.361 3.242 3.529 . 0 0 "[ . 1]" 1
694 1 33 MET QG 1 53 THR HB 2.700 . 3.600 2.093 1.768 2.515 0.032 10 0 "[ . 1]" 1
695 1 51 VAL QG 1 57 ASN QB 3.100 . 4.300 4.177 4.008 4.336 0.036 4 0 "[ . 1]" 1
696 1 58 ILE MG 1 59 GLY HA2 2.800 . 3.800 3.666 3.106 3.939 0.139 2 0 "[ . 1]" 1
697 1 12 ALA HA 1 66 ILE MG 2.500 . 3.300 2.236 1.853 2.541 . 0 0 "[ . 1]" 1
698 1 21 PRO HB2 1 21 PRO HD3 3.600 . 5.200 3.945 3.933 3.953 . 0 0 "[ . 1]" 1
699 1 33 MET HA 1 53 THR HA 2.600 . 3.400 2.915 2.525 3.549 0.149 9 0 "[ . 1]" 1
700 1 49 TRP HA 1 49 TRP HD1 2.600 . 3.400 2.371 2.170 2.731 . 0 0 "[ . 1]" 1
701 1 48 TRP HA 1 62 PRO HB3 3.700 . 5.400 4.431 4.129 4.727 . 0 0 "[ . 1]" 1
702 1 16 PHE QE 1 62 PRO HG2 2.500 . 3.300 2.713 2.168 3.140 . 0 0 "[ . 1]" 1
703 1 17 VAL HA 1 26 ALA MB 3.200 . 4.500 3.132 2.635 3.638 . 0 0 "[ . 1]" 1
704 1 35 ILE HA 1 51 VAL HA 2.400 . 3.100 2.338 2.016 2.742 . 0 0 "[ . 1]" 1
705 1 60 TYR HA 1 60 TYR HB3 2.400 . 3.100 2.492 2.433 2.584 . 0 0 "[ . 1]" 1
706 1 62 PRO HB2 1 62 PRO HG3 2.300 . 3.000 2.755 2.700 2.980 . 0 0 "[ . 1]" 1
707 1 50 LYS HA 1 50 LYS QD 2.900 . 3.900 3.439 3.319 3.572 . 0 0 "[ . 1]" 1
708 1 65 TYR HB2 1 65 TYR QR 2.700 . 3.600 2.445 2.265 2.571 . 0 0 "[ . 1]" 1
709 1 61 ILE HA 1 61 ILE HB 2.300 . 3.000 2.347 2.309 2.378 . 0 0 "[ . 1]" 1
710 1 14 TYR HB2 1 14 TYR QD 2.700 . 3.600 2.397 2.326 2.575 . 0 0 "[ . 1]" 1
711 1 49 TRP HZ3 1 66 ILE MD 3.000 . 4.100 2.963 2.537 3.308 . 0 0 "[ . 1]" 1
712 1 21 PRO HB3 1 21 PRO HD3 3.700 . 5.400 3.024 2.996 3.042 . 0 0 "[ . 1]" 1
713 1 39 LYS HA 1 45 ASP HA 3.400 . 6.000 5.567 4.947 6.051 0.051 7 0 "[ . 1]" 1
714 1 14 TYR HB3 1 14 TYR QD 2.800 . 3.800 2.411 2.281 2.490 . 0 0 "[ . 1]" 1
715 1 18 PRO HB3 1 18 PRO HD3 3.500 . 5.000 3.851 3.206 4.040 . 0 0 "[ . 1]" 1
716 1 39 LYS HA 1 46 SER QB 3.500 . 5.100 4.118 3.597 5.768 0.668 10 1 "[ . +]" 1
717 1 13 LEU QD 1 67 GLU HG2 3.300 . 4.700 3.446 2.206 4.281 . 0 0 "[ . 1]" 1
718 1 41 PRO HA 1 41 PRO HB3 2.700 . 3.600 2.286 2.257 2.338 . 0 0 "[ . 1]" 1
719 1 60 TYR HA 1 60 TYR QD 2.900 . 3.900 2.831 2.014 3.105 . 0 0 "[ . 1]" 1
720 1 16 PHE QD 1 25 VAL QG 3.000 . 4.100 2.623 2.253 3.247 . 0 0 "[ . 1]" 1
721 1 67 GLU HA 1 67 GLU HG2 2.900 . 4.000 2.897 2.324 3.509 . 0 0 "[ . 1]" 1
722 1 20 ASN HA 1 20 ASN HB3 2.900 . 3.900 2.932 2.837 3.020 . 0 0 "[ . 1]" 1
723 1 63 TYR HB3 1 63 TYR QD 2.800 . 3.700 2.354 2.281 2.443 . 0 0 "[ . 1]" 1
724 1 20 ASN HA 1 22 GLU HB3 2.100 . 6.000 5.258 5.028 5.811 . 0 0 "[ . 1]" 1
725 1 49 TRP HZ3 1 68 ILE QG 3.100 . 4.300 2.299 1.882 3.758 0.018 4 0 "[ . 1]" 1
726 1 39 LYS HA 1 39 LYS HD2 2.700 . 3.600 2.581 1.912 4.073 0.473 8 0 "[ . 1]" 1
727 1 11 ARG HA 1 32 LEU HB2 3.400 . 4.900 4.443 4.072 4.650 . 0 0 "[ . 1]" 1
728 1 38 LYS HA 1 49 TRP HD1 2.800 . 3.800 2.635 1.963 4.042 0.242 6 0 "[ . 1]" 1
729 1 14 TYR QE 1 65 TYR HA 3.400 . 4.800 4.002 2.936 5.431 0.631 10 1 "[ . +]" 1
730 1 14 TYR HB2 1 65 TYR QR 2.800 . 3.800 2.365 1.898 3.555 . 0 0 "[ . 1]" 1
731 1 24 GLU HA 1 24 GLU HB3 2.800 . 3.800 2.957 2.929 3.008 . 0 0 "[ . 1]" 1
732 1 16 PHE QE 1 18 PRO HA 3.500 . 5.000 3.351 3.188 3.661 . 0 0 "[ . 1]" 1
733 1 13 LEU HG 1 66 ILE HA 3.200 . 4.500 4.161 3.133 4.817 0.317 9 0 "[ . 1]" 1
734 1 68 ILE HA 1 68 ILE MG 3.000 . 4.100 2.372 2.214 2.488 . 0 0 "[ . 1]" 1
735 1 38 LYS HA 1 49 TRP HA 3.500 . 5.100 3.816 2.535 4.713 . 0 0 "[ . 1]" 1
736 1 47 ASP HA 1 63 TYR QD 3.600 . 5.200 3.427 2.061 4.559 . 0 0 "[ . 1]" 1
737 1 61 ILE MD 1 65 TYR HB2 2.600 . 3.400 2.419 1.881 2.941 . 0 0 "[ . 1]" 1
738 1 48 TRP HE3 1 60 TYR HB2 4.200 . 6.000 3.860 3.713 3.958 . 0 0 "[ . 1]" 1
739 1 50 LYS HA 1 60 TYR QD 3.100 . 4.300 3.177 2.295 3.676 . 0 0 "[ . 1]" 1
740 1 13 LEU QB 1 14 TYR QE 3.700 . 4.300 2.973 2.848 3.268 . 0 0 "[ . 1]" 1
741 1 21 PRO HB3 1 21 PRO HD2 3.300 . 4.600 3.875 3.866 3.881 . 0 0 "[ . 1]" 1
742 1 13 LEU HA 1 13 LEU HG 3.100 . 4.300 3.075 2.234 3.635 . 0 0 "[ . 1]" 1
743 1 13 LEU QD 1 14 TYR QE 3.400 . 4.900 2.980 1.694 3.397 0.206 10 0 "[ . 1]" 1
744 1 17 VAL HA 1 26 ALA HA 2.700 . 3.600 2.468 2.165 2.836 . 0 0 "[ . 1]" 1
745 1 38 LYS HE3 1 38 LYS QG 3.200 . 4.500 2.734 2.137 3.439 . 0 0 "[ . 1]" 1
746 1 48 TRP HA 1 48 TRP HE3 2.900 . 4.000 2.902 2.551 3.355 . 0 0 "[ . 1]" 1
747 1 50 LYS HA 1 60 TYR QE 3.900 . 5.800 4.705 3.941 5.159 . 0 0 "[ . 1]" 1
748 1 49 TRP HZ2 1 63 TYR HB2 3.100 . 4.300 4.021 3.571 4.321 0.021 8 0 "[ . 1]" 1
749 1 14 TYR QD 1 65 TYR QD 3.500 . 5.000 3.240 2.048 4.024 . 0 0 "[ . 1]" 1
750 1 61 ILE HA 1 61 ILE MD 3.300 . 4.700 3.160 2.304 3.908 . 0 0 "[ . 1]" 1
751 1 48 TRP HE3 1 61 ILE HA 3.700 . 5.400 4.185 3.891 4.372 . 0 0 "[ . 1]" 1
752 1 61 ILE HB 1 61 ILE MD 2.900 . 3.900 2.226 2.015 2.588 . 0 0 "[ . 1]" 1
753 1 47 ASP HA 1 63 TYR QE 4.300 . 6.000 5.332 4.400 6.093 0.093 6 0 "[ . 1]" 1
754 1 23 MET HA 1 23 MET HG2 3.600 . 5.200 3.264 2.722 3.741 . 0 0 "[ . 1]" 1
755 1 14 TYR HB2 1 65 TYR QD 3.000 . 4.100 2.526 1.902 3.746 . 0 0 "[ . 1]" 1
756 1 16 PHE HA 1 65 TYR QD 3.300 . 4.700 3.683 3.312 4.305 . 0 0 "[ . 1]" 1
757 1 33 MET HA 1 33 MET QG 3.100 . 4.300 2.463 2.213 2.956 . 0 0 "[ . 1]" 1
758 1 49 TRP HB2 1 63 TYR QD 3.800 . 5.600 5.333 4.677 5.663 0.063 1 0 "[ . 1]" 1
759 1 65 TYR HA 1 65 TYR QD 3.400 . 4.800 2.802 1.871 3.094 0.129 3 0 "[ . 1]" 1
760 1 32 LEU HA 1 32 LEU HB2 2.800 . 3.800 2.238 2.087 2.334 . 0 0 "[ . 1]" 1
761 1 33 MET HA 1 53 THR MG 3.900 . 5.800 3.965 3.474 4.583 . 0 0 "[ . 1]" 1
762 1 63 TYR HA 1 63 TYR QD 3.700 . 5.400 2.883 2.408 3.350 . 0 0 "[ . 1]" 1
763 1 11 ARG HA 1 32 LEU MD2 4.900 . 6.000 3.262 2.374 3.719 . 0 0 "[ . 1]" 1
764 1 36 LEU QB 1 51 VAL HA 4.700 . 6.000 4.250 3.636 4.457 . 0 0 "[ . 1]" 1
765 1 35 ILE MG 1 49 TRP HE3 3.200 . 4.400 2.207 1.896 2.443 0.104 6 0 "[ . 1]" 1
766 1 10 ALA HA 1 68 ILE MG 4.500 . 6.000 4.223 3.137 4.630 . 0 0 "[ . 1]" 1
767 1 14 TYR QE 1 65 TYR QD 4.500 . 6.000 4.842 3.161 5.652 . 0 0 "[ . 1]" 1
768 1 10 ALA MB 1 66 ILE HA 4.300 . 6.000 4.710 4.415 4.948 . 0 0 "[ . 1]" 1
769 1 13 LEU QD 1 14 TYR QD 4.300 . 6.000 3.421 2.296 3.914 . 0 0 "[ . 1]" 1
770 1 23 MET HA 1 23 MET HG3 3.400 . 4.800 2.535 2.269 2.879 . 0 0 "[ . 1]" 1
771 1 20 ASN HA 1 21 PRO HG2 5.400 . 6.000 4.458 4.403 4.528 . 0 0 "[ . 1]" 1
772 1 63 TYR QD 1 64 ASN HA 3.700 . 5.400 3.779 3.449 4.243 . 0 0 "[ . 1]" 1
773 1 62 PRO HG3 1 65 TYR QD 3.300 . 4.600 3.629 3.308 4.272 . 0 0 "[ . 1]" 1
774 1 12 ALA MB 1 66 ILE HA 4.700 . 6.000 4.052 3.593 4.336 . 0 0 "[ . 1]" 1
775 1 48 TRP HZ3 1 62 PRO HD2 4.000 . 6.000 3.912 3.564 5.054 . 0 0 "[ . 1]" 1
776 1 11 ARG HG3 1 30 GLY HA2 4.300 . 6.000 5.331 4.327 5.902 . 0 0 "[ . 1]" 1
777 1 45 ASP QB 1 46 SER HA 5.400 . 6.000 3.979 3.597 4.823 . 0 0 "[ . 1]" 1
778 1 66 ILE HA 1 66 ILE HG12 4.200 . 6.000 3.756 3.589 3.969 . 0 0 "[ . 1]" 1
779 1 47 ASP QB 1 49 TRP HE3 5.800 . 6.000 5.824 5.770 5.869 . 0 0 "[ . 1]" 1
780 1 49 TRP HZ3 1 68 ILE MG 5.700 . 6.000 3.836 3.016 4.264 . 0 0 "[ . 1]" 1
781 1 63 TYR QE 1 64 ASN HA 4.400 . 6.000 4.250 3.878 4.705 . 0 0 "[ . 1]" 1
782 1 39 LYS QG 1 43 GLY HA3 5.600 . 6.000 4.805 4.645 5.051 . 0 0 "[ . 1]" 1
783 1 39 LYS HA 1 39 LYS QE 5.700 . 6.000 3.987 3.497 4.403 . 0 0 "[ . 1]" 1
784 1 13 LEU HA 1 67 GLU HA 5.500 . 6.000 6.054 6.021 6.117 0.117 10 0 "[ . 1]" 1
785 1 63 TYR QD 1 66 ILE MD 3.800 . 5.600 3.451 2.227 4.260 . 0 0 "[ . 1]" 1
786 1 13 LEU QD 1 63 TYR QD 5.300 . 6.000 5.316 4.729 5.688 . 0 0 "[ . 1]" 1
787 1 61 ILE MD 1 65 TYR QR 5.900 . 6.000 3.303 2.656 3.740 . 0 0 "[ . 1]" 1
788 1 33 MET HA 1 51 VAL HB 6.000 . 6.000 5.822 4.145 6.347 0.347 6 0 "[ . 1]" 1
789 1 50 LYS HB3 1 60 TYR QE 4.900 . 6.000 3.148 2.546 3.482 . 0 0 "[ . 1]" 1
790 1 48 TRP HA 1 60 TYR HB3 6.000 . 6.000 5.172 4.860 5.621 . 0 0 "[ . 1]" 1
791 1 64 ASN HB2 1 65 TYR QD 6.000 . 6.000 4.091 2.955 5.486 . 0 0 "[ . 1]" 1
792 1 35 ILE HB 1 36 LEU QD 3.800 . 5.600 2.726 2.244 3.232 . 0 0 "[ . 1]" 1
793 1 27 LEU MD1 1 33 MET QG 4.400 . 6.000 2.303 1.911 2.807 0.089 3 0 "[ . 1]" 1
794 1 48 TRP HE3 1 60 TYR HB3 2.000 . 2.500 2.110 2.020 2.193 . 0 0 "[ . 1]" 1
795 1 12 ALA HA 1 31 ASP HB3 3.100 . 4.300 2.973 2.962 2.982 . 0 0 "[ . 1]" 1
796 1 15 ASP HA 1 16 PHE QB 6.000 . 6.000 3.568 3.438 3.748 . 0 0 "[ . 1]" 1
797 1 11 ARG QD 1 11 ARG HG2 2.100 . 2.700 1.863 1.804 1.894 . 0 0 "[ . 1]" 1
798 1 11 ARG HB3 1 11 ARG QD 2.100 . 2.700 1.971 1.810 2.441 . 0 0 "[ . 1]" 1
799 1 61 ILE HG13 1 65 TYR H 4.000 . 6.000 3.477 3.170 3.739 . 0 0 "[ . 1]" 1
800 1 49 TRP H 1 50 LYS QG 5.000 . 6.000 5.427 5.157 5.566 . 0 0 "[ . 1]" 1
801 1 63 TYR HA 1 64 ASN H 4.200 . 6.000 2.931 2.145 3.458 . 0 0 "[ . 1]" 1
802 1 25 VAL HB 1 60 TYR H 4.300 . 6.000 5.468 5.131 5.866 . 0 0 "[ . 1]" 1
803 1 35 ILE MD 1 49 TRP H 5.200 . 6.000 3.415 3.092 3.682 . 0 0 "[ . 1]" 1
804 1 63 TYR HA 1 66 ILE H 6.000 . 6.000 3.496 3.040 3.832 . 0 0 "[ . 1]" 1
805 1 47 ASP HA 1 47 ASP QB 1.800 . 2.200 2.056 2.012 2.136 . 0 0 "[ . 1]" 1
806 1 15 ASP HA 1 15 ASP HB3 2.000 . 2.500 2.394 2.380 2.411 . 0 0 "[ . 1]" 1
807 1 15 ASP HA 1 15 ASP HB2 1.900 . 2.300 2.178 2.156 2.218 . 0 0 "[ . 1]" 1
808 1 20 ASN HB2 1 21 PRO HA 2.600 . 6.000 4.599 4.489 4.680 . 0 0 "[ . 1]" 1
809 1 12 ALA MB 1 30 GLY H 2.100 . 2.700 2.372 1.546 2.699 . 0 0 "[ . 1]" 1
810 1 49 TRP HE3 1 66 ILE MD 1.800 . 2.200 1.900 1.707 2.176 . 0 0 "[ . 1]" 1
811 1 11 ARG H 1 11 ARG HB2 2.100 . 2.600 2.660 2.571 2.751 0.151 9 0 "[ . 1]" 1
812 1 12 ALA H 1 32 LEU HB3 2.600 . 3.500 3.117 2.618 3.412 . 0 0 "[ . 1]" 1
813 1 25 VAL HA 1 25 VAL HB 1.900 . 2.400 2.130 2.065 2.226 . 0 0 "[ . 1]" 1
814 1 9 PHE HB3 1 9 PHE QE 2.300 . 3.000 2.769 2.484 2.936 . 0 0 "[ . 1]" 1
815 1 12 ALA MB 1 29 LYS HA 2.100 . 2.700 2.766 2.610 2.869 0.169 6 0 "[ . 1]" 1
816 1 11 ARG HB3 1 11 ARG QD 1.900 . 2.400 1.922 1.782 2.312 . 0 0 "[ . 1]" 1
817 1 28 LYS HB3 1 29 LYS H 2.600 . 6.000 3.968 3.586 4.185 . 0 0 "[ . 1]" 1
818 1 11 ARG H 1 11 ARG HB2 2.000 . 2.500 2.450 2.304 2.669 0.169 10 0 "[ . 1]" 1
819 1 10 ALA H 1 35 ILE HG12 2.300 . 3.000 2.521 2.271 2.636 . 0 0 "[ . 1]" 1
820 1 10 ALA HA 1 35 ILE HG13 2.100 . 2.600 1.943 1.783 2.223 . 0 0 "[ . 1]" 1
821 1 16 PHE QB 1 16 PHE QD 1.800 . 6.000 2.111 2.099 2.117 . 0 0 "[ . 1]" 1
822 1 28 LYS HD2 1 28 LYS HE2 2.200 . 2.800 2.367 2.042 2.681 . 0 0 "[ . 1]" 1
823 1 41 PRO HB2 1 42 LEU HA 2.200 . 2.800 2.357 2.222 2.489 . 0 0 "[ . 1]" 1
824 1 16 PHE HA 1 17 VAL HB 1.900 . 6.000 2.451 2.272 2.989 . 0 0 "[ . 1]" 1
825 1 61 ILE HG13 1 65 TYR HB2 1.900 . 2.400 2.365 2.049 2.566 0.166 8 0 "[ . 1]" 1
826 1 10 ALA HA 1 66 ILE MD 2.500 . 3.300 2.839 2.533 3.152 . 0 0 "[ . 1]" 1
827 1 36 LEU QD 1 51 VAL HA 2.200 . 2.800 2.135 1.963 2.348 . 0 0 "[ . 1]" 1
828 1 11 ARG HB2 1 11 ARG QD 2.000 . 2.500 2.053 1.840 2.358 . 0 0 "[ . 1]" 1
829 1 9 PHE H 1 69 ILE QG 2.300 . 2.900 2.326 1.715 2.533 . 0 0 "[ . 1]" 1
830 1 11 ARG H 1 11 ARG HB3 2.200 . 2.800 2.712 2.643 2.773 . 0 0 "[ . 1]" 1
831 1 29 LYS H 1 29 LYS HB2 1.800 . 2.200 2.154 2.023 2.366 0.166 4 0 "[ . 1]" 1
832 1 12 ALA MB 1 31 ASP H 2.100 . 2.600 2.268 2.235 2.326 . 0 0 "[ . 1]" 1
833 1 16 PHE HA 1 27 LEU QB 2.000 . 2.500 2.299 2.276 2.320 . 0 0 "[ . 1]" 1
834 1 28 LYS H 1 28 LYS HB3 2.400 . 3.100 2.654 2.003 2.966 . 0 0 "[ . 1]" 1
835 1 22 GLU H 1 22 GLU HA 2.100 . 2.600 2.319 2.213 2.364 . 0 0 "[ . 1]" 1
836 1 28 LYS HE2 1 28 LYS QG 2.100 . 2.700 2.311 1.970 2.956 0.256 8 0 "[ . 1]" 1
837 1 10 ALA H 1 35 ILE HG12 2.600 . 3.400 3.024 2.468 3.265 . 0 0 "[ . 1]" 1
838 1 35 ILE H 1 35 ILE HB 2.100 . 2.700 2.451 2.282 2.541 . 0 0 "[ . 1]" 1
839 1 17 VAL HA 1 17 VAL QG 2.300 . 3.000 2.039 1.910 2.149 . 0 0 "[ . 1]" 1
840 1 36 LEU QB 1 50 LYS H 2.500 . 3.300 3.441 3.359 3.494 0.194 9 0 "[ . 1]" 1
841 1 24 GLU HA 1 25 VAL MG1 2.400 . 3.100 3.130 2.986 3.210 0.110 5 0 "[ . 1]" 1
842 1 33 MET HB3 1 34 ALA H 1.600 . 2.200 1.596 1.371 2.000 . 0 0 "[ . 1]" 1
843 1 9 PHE HA 1 35 ILE MD 2.300 . 3.000 2.800 2.421 3.009 0.009 5 0 "[ . 1]" 1
844 1 27 LEU QB 1 28 LYS H 2.000 . 2.500 2.067 1.708 2.467 . 0 0 "[ . 1]" 1
845 1 9 PHE HB3 1 10 ALA H 1.900 . 2.400 2.113 1.932 2.196 . 0 0 "[ . 1]" 1
846 1 33 MET HB3 1 34 ALA H 1.600 . 2.200 1.600 1.371 2.011 . 0 0 "[ . 1]" 1
847 1 26 ALA MB 1 27 LEU H 2.500 . 3.300 2.346 2.224 2.483 . 0 0 "[ . 1]" 1
848 1 32 LEU HA 1 32 LEU HG 1.800 . 2.200 2.306 2.167 2.412 0.212 6 0 "[ . 1]" 1
849 1 27 LEU MD1 1 31 ASP HB3 2.500 . 3.300 2.631 2.424 2.697 . 0 0 "[ . 1]" 1
850 1 16 PHE QB 1 27 LEU MD1 2.300 . 3.000 2.180 1.921 2.364 . 0 0 "[ . 1]" 1
851 1 32 LEU H 1 32 LEU HB2 2.100 . 2.700 1.926 1.590 2.417 . 0 0 "[ . 1]" 1
852 1 11 ARG H 1 66 ILE MG 2.400 . 3.100 2.990 2.730 3.346 0.246 1 0 "[ . 1]" 1
853 1 10 ALA HA 1 35 ILE MD 2.400 . 3.100 2.042 1.737 2.261 . 0 0 "[ . 1]" 1
854 1 35 ILE MD 1 49 TRP HE3 2.500 . 3.300 2.582 2.124 2.891 . 0 0 "[ . 1]" 1
855 1 34 ALA H 1 36 LEU QD 2.200 . 2.800 2.897 2.741 2.969 0.169 5 0 "[ . 1]" 1
856 1 48 TRP HZ3 1 60 TYR HB2 2.100 . 2.600 2.307 2.036 2.675 0.075 6 0 "[ . 1]" 1
857 1 12 ALA MB 1 32 LEU HA 2.300 . 2.900 2.802 2.695 2.890 . 0 0 "[ . 1]" 1
858 1 39 LYS QG 1 43 GLY HA2 2.000 . 2.500 2.270 2.240 2.302 . 0 0 "[ . 1]" 1
859 1 10 ALA HA 1 35 ILE HG12 2.500 . 3.300 2.352 1.967 3.138 . 0 0 "[ . 1]" 1
860 1 31 ASP HB2 1 32 LEU H 2.600 . 6.000 3.847 3.603 4.294 . 0 0 "[ . 1]" 1
861 1 11 ARG HA 1 11 ARG HB3 2.100 . 6.000 2.822 2.712 2.935 . 0 0 "[ . 1]" 1
862 1 45 ASP QB 1 46 SER H 2.300 . 6.000 2.336 1.605 3.164 . 0 0 "[ . 1]" 1
863 1 13 LEU QB 1 66 ILE H 2.600 . 3.400 3.295 3.245 3.353 . 0 0 "[ . 1]" 1
864 1 11 ARG H 1 12 ALA HA 2.100 . 6.000 2.893 2.885 2.903 . 0 0 "[ . 1]" 1
865 1 51 VAL H 1 51 VAL QG 2.300 . 2.900 2.332 2.004 2.626 . 0 0 "[ . 1]" 1
866 1 35 ILE HG13 1 49 TRP HE3 2.300 . 3.000 2.405 2.023 3.014 0.014 10 0 "[ . 1]" 1
867 1 11 ARG H 1 31 ASP HB3 2.400 . 6.000 4.069 3.963 4.167 . 0 0 "[ . 1]" 1
868 1 34 ALA H 1 51 VAL QG 2.300 . 3.000 2.217 1.766 2.943 . 0 0 "[ . 1]" 1
869 1 32 LEU HA 1 32 LEU HB3 2.300 . 2.900 2.544 2.419 2.807 . 0 0 "[ . 1]" 1
870 1 27 LEU QB 1 65 TYR QD 2.800 . 6.000 3.891 3.116 4.457 . 0 0 "[ . 1]" 1
871 1 16 PHE H 1 27 LEU MD1 2.300 . 2.900 2.497 2.282 2.633 . 0 0 "[ . 1]" 1
872 1 13 LEU H 1 13 LEU QB 2.700 . 3.600 2.198 2.037 2.660 . 0 0 "[ . 1]" 1
873 1 11 ARG H 1 66 ILE HA 2.700 . 6.000 4.077 3.913 4.238 . 0 0 "[ . 1]" 1
874 1 36 LEU H 1 36 LEU QB 2.800 . 3.800 2.392 2.239 2.458 . 0 0 "[ . 1]" 1
875 1 49 TRP HZ3 1 68 ILE QG 2.000 . 2.500 2.101 1.819 2.603 0.103 10 0 "[ . 1]" 1
876 1 13 LEU H 1 13 LEU QB 2.700 . 3.600 2.185 2.033 2.619 . 0 0 "[ . 1]" 1
877 1 49 TRP HA 1 50 LYS HB3 2.100 . 2.600 2.359 2.299 2.469 . 0 0 "[ . 1]" 1
878 1 13 LEU H 1 66 ILE MG 2.600 . 3.400 2.506 2.131 2.849 . 0 0 "[ . 1]" 1
879 1 11 ARG HA 1 11 ARG HB2 2.400 . 3.100 2.594 2.488 2.661 . 0 0 "[ . 1]" 1
880 1 16 PHE QD 1 18 PRO HA 2.800 . 6.000 4.080 3.432 4.555 . 0 0 "[ . 1]" 1
881 1 16 PHE QD 1 18 PRO HA 2.700 . 3.600 3.122 2.684 3.393 . 0 0 "[ . 1]" 1
882 1 21 PRO HD2 1 21 PRO HG3 2.000 . 2.500 2.170 2.153 2.197 . 0 0 "[ . 1]" 1
883 1 16 PHE QD 1 27 LEU MD2 3.000 . 4.100 3.644 2.736 4.234 0.134 4 0 "[ . 1]" 1
884 1 41 PRO HB2 1 42 LEU H 2.000 . 2.500 2.001 1.814 2.432 . 0 0 "[ . 1]" 1
885 1 10 ALA H 1 35 ILE HG13 1.900 . 2.300 1.784 1.624 1.895 . 0 0 "[ . 1]" 1
886 1 38 LYS QB 1 63 TYR H 1.800 . 6.000 5.421 4.791 5.943 . 0 0 "[ . 1]" 1
887 1 9 PHE HA 1 35 ILE MD 2.400 . 3.100 2.730 2.582 2.833 . 0 0 "[ . 1]" 1
888 1 10 ALA HA 1 11 ARG H 2.100 . 2.700 1.961 1.920 1.997 . 0 0 "[ . 1]" 1
889 1 11 ARG H 1 66 ILE MG 2.400 . 6.000 3.786 3.695 3.943 . 0 0 "[ . 1]" 1
890 1 10 ALA HA 1 11 ARG HB2 2.400 . 3.100 2.854 2.610 2.903 . 0 0 "[ . 1]" 1
891 1 13 LEU QD 1 65 TYR QD 2.800 . 3.800 3.502 2.939 3.883 0.083 8 0 "[ . 1]" 1
892 1 11 ARG HB2 1 32 LEU HA 2.500 . 3.300 2.542 2.354 2.622 . 0 0 "[ . 1]" 1
893 1 33 MET HA 1 54 LYS H 2.800 . 3.800 3.216 3.011 3.475 . 0 0 "[ . 1]" 1
894 1 52 ARG QB 1 53 THR H 2.800 . 3.800 3.355 3.042 3.643 . 0 0 "[ . 1]" 1
895 1 13 LEU QB 1 65 TYR QD 2.900 . 4.000 3.113 2.631 3.452 . 0 0 "[ . 1]" 1
896 1 13 LEU QB 1 65 TYR QD 3.000 . 4.100 3.188 2.633 3.631 . 0 0 "[ . 1]" 1
897 1 9 PHE HA 1 10 ALA H 2.200 . 2.800 2.251 1.734 2.866 0.066 7 0 "[ . 1]" 1
898 1 10 ALA HA 1 35 ILE HG13 2.600 . 3.500 2.050 1.738 2.274 . 0 0 "[ . 1]" 1
899 1 10 ALA H 1 35 ILE HG13 3.000 . 4.100 2.924 2.744 3.237 . 0 0 "[ . 1]" 1
900 1 15 ASP HA 1 27 LEU MD1 2.900 . 4.000 2.902 2.835 2.940 . 0 0 "[ . 1]" 1
901 1 32 LEU H 1 32 LEU HB3 2.500 . 3.300 3.189 2.919 3.315 0.015 7 0 "[ . 1]" 1
902 1 36 LEU QB 1 37 SER H 2.400 . 3.100 2.428 1.849 3.357 0.257 6 0 "[ . 1]" 1
903 1 12 ALA MB 1 32 LEU H 2.400 . 3.100 2.196 1.990 2.387 . 0 0 "[ . 1]" 1
904 1 11 ARG HB2 1 32 LEU HA 2.600 . 3.400 2.832 2.606 2.907 . 0 0 "[ . 1]" 1
905 1 10 ALA HA 1 35 ILE HG12 2.900 . 4.000 2.222 1.941 2.588 . 0 0 "[ . 1]" 1
906 1 52 ARG HA 1 52 ARG QB 2.600 . 3.400 2.344 2.213 2.478 . 0 0 "[ . 1]" 1
907 1 32 LEU H 1 32 LEU HG 2.200 . 2.800 2.131 2.066 2.254 . 0 0 "[ . 1]" 1
908 1 11 ARG HG2 1 31 ASP HB2 3.200 . 4.500 3.498 3.363 3.771 . 0 0 "[ . 1]" 1
909 1 10 ALA H 1 35 ILE HG13 2.000 . 2.500 1.772 1.618 1.875 . 0 0 "[ . 1]" 1
910 1 18 PRO HB3 1 18 PRO HD3 2.600 . 3.500 3.276 2.977 3.629 0.129 7 0 "[ . 1]" 1
911 1 10 ALA HA 1 35 ILE HG13 2.800 . 3.800 2.293 1.854 2.447 . 0 0 "[ . 1]" 1
912 1 11 ARG HB2 1 30 GLY HA3 2.800 . 6.000 3.792 3.231 4.498 . 0 0 "[ . 1]" 1
913 1 48 TRP HZ3 1 61 ILE HB 3.500 . 5.000 3.647 3.501 3.853 . 0 0 "[ . 1]" 1
914 1 10 ALA HA 1 11 ARG H 2.300 . 3.000 1.817 1.637 1.956 . 0 0 "[ . 1]" 1
915 1 27 LEU QB 1 65 TYR QR 3.500 . 5.000 4.680 4.269 5.285 0.285 3 0 "[ . 1]" 1
916 1 16 PHE H 1 16 PHE QD 3.500 . 5.000 3.466 3.282 3.664 . 0 0 "[ . 1]" 1
917 1 16 PHE QB 1 27 LEU H 2.500 . 3.300 2.111 2.026 2.190 . 0 0 "[ . 1]" 1
918 1 11 ARG HG2 1 27 LEU HA 3.600 . 5.200 3.282 2.769 3.587 . 0 0 "[ . 1]" 1
919 1 32 LEU H 1 32 LEU MD1 3.500 . 5.000 2.650 2.278 3.229 . 0 0 "[ . 1]" 1
920 1 49 TRP HZ3 1 68 ILE MD 2.800 . 3.700 2.105 1.722 2.557 0.178 10 0 "[ . 1]" 1
921 1 13 LEU QB 1 65 TYR QD 3.000 . 4.100 2.704 2.208 3.105 . 0 0 "[ . 1]" 1
922 1 21 PRO HB2 1 22 GLU H 3.400 . 4.900 3.558 2.237 4.036 . 0 0 "[ . 1]" 1
923 1 39 LYS H 1 39 LYS HA 2.600 . 3.500 2.430 2.300 2.630 . 0 0 "[ . 1]" 1
924 1 22 GLU H 1 22 GLU HB3 2.800 . 3.800 2.718 2.538 3.133 . 0 0 "[ . 1]" 1
925 1 9 PHE HA 1 10 ALA MB 3.500 . 5.000 3.133 2.995 3.206 . 0 0 "[ . 1]" 1
926 1 16 PHE H 1 16 PHE HA 2.900 . 4.000 2.742 2.684 2.766 . 0 0 "[ . 1]" 1
927 1 16 PHE QD 1 24 GLU HB2 4.000 . 6.000 4.676 3.786 5.106 . 0 0 "[ . 1]" 1
928 1 16 PHE QE 1 16 PHE HZ 2.900 . 3.900 1.983 1.925 2.038 . 0 0 "[ . 1]" 1
929 1 27 LEU HA 1 28 LYS H 2.800 . 3.800 2.030 1.979 2.096 . 0 0 "[ . 1]" 1
930 1 23 MET HB3 1 60 TYR QE 4.000 . 6.000 3.902 2.748 4.716 . 0 0 "[ . 1]" 1
931 1 43 GLY H 1 43 GLY HA3 2.900 . 4.000 2.727 2.264 2.813 . 0 0 "[ . 1]" 1
932 1 36 LEU QB 1 37 SER H 3.000 . 4.100 2.436 1.851 3.372 0.049 5 0 "[ . 1]" 1
933 1 16 PHE QD 1 26 ALA MB 4.100 . 6.000 3.940 3.700 4.347 . 0 0 "[ . 1]" 1
934 1 31 ASP HA 1 32 LEU H 3.200 . 4.500 2.212 2.020 2.479 . 0 0 "[ . 1]" 1
935 1 29 LYS H 1 29 LYS HA 2.800 . 3.800 2.070 2.003 2.288 . 0 0 "[ . 1]" 1
936 1 15 ASP HB2 1 28 LYS HA 3.100 . 4.300 2.129 1.847 2.270 0.053 8 0 "[ . 1]" 1
937 1 25 VAL HA 1 26 ALA H 3.000 . 4.100 2.214 2.162 2.280 . 0 0 "[ . 1]" 1
938 1 48 TRP HZ3 1 62 PRO HD2 3.800 . 5.600 3.389 2.298 3.737 . 0 0 "[ . 1]" 1
939 1 67 GLU HB3 1 68 ILE H 3.100 . 4.300 2.548 2.382 2.953 . 0 0 "[ . 1]" 1
940 1 24 GLU HA 1 24 GLU QG 3.700 . 5.400 2.152 1.977 2.528 0.023 5 0 "[ . 1]" 1
941 1 36 LEU QB 1 37 SER H 3.600 . 5.200 2.547 1.842 3.714 0.158 5 0 "[ . 1]" 1
942 1 40 ASP H 1 43 GLY HA2 3.100 . 4.300 2.770 2.711 2.847 . 0 0 "[ . 1]" 1
943 1 33 MET HA 1 33 MET HB3 3.200 . 4.500 2.513 2.181 2.639 . 0 0 "[ . 1]" 1
944 1 16 PHE HA 1 27 LEU QB 3.500 . 5.100 2.242 2.063 2.315 . 0 0 "[ . 1]" 1
945 1 11 ARG HA 1 12 ALA H 3.000 . 4.100 2.172 2.112 2.215 . 0 0 "[ . 1]" 1
946 1 10 ALA H 1 10 ALA MB 3.200 . 4.500 2.246 2.156 2.314 . 0 0 "[ . 1]" 1
947 1 15 ASP HA 1 16 PHE H 2.600 . 3.500 2.128 2.119 2.135 . 0 0 "[ . 1]" 1
948 1 11 ARG HB2 1 32 LEU HA 3.400 . 4.800 2.567 2.373 2.657 . 0 0 "[ . 1]" 1
949 1 16 PHE QD 1 17 VAL QG 4.300 . 5.600 3.332 2.976 3.563 . 0 0 "[ . 1]" 1
950 1 18 PRO HA 1 24 GLU HA 2.900 . 4.000 2.804 2.043 3.538 . 0 0 "[ . 1]" 1
951 1 35 ILE HA 1 35 ILE MD 3.800 . 3.800 2.164 2.006 2.336 . 0 0 "[ . 1]" 1
952 1 67 GLU HA 1 67 GLU HB3 3.600 . 5.200 2.904 2.311 2.994 . 0 0 "[ . 1]" 1
953 1 46 SER H 1 46 SER QB 3.300 . 4.700 2.634 2.284 2.748 . 0 0 "[ . 1]" 1
954 1 13 LEU H 1 13 LEU QD 3.900 . 5.800 2.580 1.992 3.040 0.008 10 0 "[ . 1]" 1
955 1 17 VAL H 1 17 VAL QG 4.400 . 6.000 2.943 2.505 3.154 . 0 0 "[ . 1]" 1
956 1 58 ILE H 1 58 ILE MG 3.900 . 5.800 2.831 2.305 3.138 . 0 0 "[ . 1]" 1
957 1 13 LEU HG 1 14 TYR H 4.500 . 6.000 3.773 1.948 4.293 0.052 10 0 "[ . 1]" 1
958 1 13 LEU HA 1 13 LEU QB 3.600 . 5.200 2.431 2.127 2.511 . 0 0 "[ . 1]" 1
959 1 51 VAL H 1 51 VAL QG 3.800 . 5.600 2.443 2.115 2.759 . 0 0 "[ . 1]" 1
960 1 10 ALA HA 1 67 GLU HG2 4.700 . 6.000 6.035 5.179 6.735 0.735 7 2 "[- . + 1]" 1
961 1 34 ALA H 1 53 THR H 4.000 . 6.000 3.748 3.609 3.833 . 0 0 "[ . 1]" 1
962 1 33 MET HA 1 53 THR MG 3.300 . 4.700 2.111 2.102 2.127 . 0 0 "[ . 1]" 1
963 1 16 PHE HZ 1 62 PRO HD3 3.600 . 5.300 2.800 2.622 2.956 . 0 0 "[ . 1]" 1
964 1 49 TRP HB3 1 66 ILE MD 4.000 . 6.000 2.605 2.190 2.885 . 0 0 "[ . 1]" 1
965 1 24 GLU QG 1 60 TYR H 4.200 . 6.000 2.436 2.127 2.933 . 0 0 "[ . 1]" 1
966 1 31 ASP HB3 1 32 LEU H 3.800 . 5.600 3.035 2.699 3.710 . 0 0 "[ . 1]" 1
967 1 17 VAL HA 1 18 PRO HB2 4.400 . 6.000 2.654 2.224 3.156 . 0 0 "[ . 1]" 1
968 1 9 PHE H 1 9 PHE HA 3.400 . 4.900 2.057 1.984 2.150 . 0 0 "[ . 1]" 1
969 1 36 LEU QD 1 37 SER QB 4.700 . 6.000 3.455 3.018 3.647 . 0 0 "[ . 1]" 1
970 1 29 LYS H 1 29 LYS QG 4.200 . 6.000 2.841 2.593 3.096 . 0 0 "[ . 1]" 1
971 1 37 SER H 1 37 SER HA 3.600 . 5.200 2.572 2.509 2.627 . 0 0 "[ . 1]" 1
972 1 35 ILE H 1 35 ILE MG 4.500 . 6.000 2.877 2.356 3.527 . 0 0 "[ . 1]" 1
973 1 48 TRP HZ3 1 49 TRP HA 4.700 . 6.000 5.070 4.484 5.417 . 0 0 "[ . 1]" 1
974 1 9 PHE HB3 1 35 ILE MG 3.600 . 5.200 2.604 1.789 2.969 0.211 6 0 "[ . 1]" 1
975 1 17 VAL HA 1 18 PRO HG3 4.200 . 6.000 2.947 2.923 2.965 . 0 0 "[ . 1]" 1
976 1 21 PRO HB2 1 23 MET H 4.400 . 6.000 3.337 1.769 4.429 0.231 2 0 "[ . 1]" 1
977 1 35 ILE HA 1 35 ILE HG12 4.200 . 6.000 3.306 2.786 3.669 . 0 0 "[ . 1]" 1
978 1 12 ALA HA 1 31 ASP H 3.900 . 5.800 2.724 2.684 2.787 . 0 0 "[ . 1]" 1
979 1 22 GLU HB3 1 23 MET H 3.900 . 5.800 2.755 2.526 3.196 . 0 0 "[ . 1]" 1
980 1 43 GLY H 1 44 ARG QB 4.000 . 6.000 2.146 2.076 2.271 . 0 0 "[ . 1]" 1
981 1 25 VAL HB 1 26 ALA H 3.500 . 5.000 2.963 2.298 3.457 . 0 0 "[ . 1]" 1
982 1 17 VAL HA 1 18 PRO HG2 4.700 . 6.000 2.471 2.221 3.223 . 0 0 "[ . 1]" 1
983 1 33 MET QG 1 53 THR HA . . 3.600 2.188 1.748 2.403 0.252 3 0 "[ . 1]" 1
984 1 13 LEU H 1 13 LEU QB 3.200 . 4.500 2.054 1.904 2.497 . 0 0 "[ . 1]" 1
985 1 21 PRO HA 1 21 PRO HG2 4.300 . 6.000 2.473 2.446 2.504 . 0 0 "[ . 1]" 1
986 1 33 MET QG 1 53 THR HA . . 2.700 1.793 1.683 2.217 . 0 0 "[ . 1]" 1
987 1 18 PRO HA 1 18 PRO HB2 3.200 . 4.500 2.275 1.969 2.355 . 0 0 "[ . 1]" 1
988 1 27 LEU MD2 1 31 ASP HB3 3.500 . 5.100 2.224 1.979 2.485 . 0 0 "[ . 1]" 1
989 1 16 PHE HZ 1 48 TRP HZ3 4.300 . 6.000 3.612 3.433 3.778 . 0 0 "[ . 1]" 1
990 1 16 PHE HZ 1 62 PRO HG3 4.500 . 6.000 3.628 2.264 4.108 . 0 0 "[ . 1]" 1
991 1 9 PHE QE 1 10 ALA H 5.500 . 6.000 4.392 4.145 4.655 . 0 0 "[ . 1]" 1
992 1 39 LYS QG 1 40 ASP H 4.500 . 6.000 3.533 3.477 3.598 . 0 0 "[ . 1]" 1
993 1 11 ARG HB2 1 12 ALA HA 4.900 . 6.000 3.962 3.790 4.112 . 0 0 "[ . 1]" 1
994 1 27 LEU MD2 1 31 ASP HB2 . . 3.600 1.998 1.932 2.068 0.068 4 0 "[ . 1]" 1
995 1 17 VAL H 1 27 LEU QB 5.100 . 6.000 4.060 4.028 4.083 . 0 0 "[ . 1]" 1
996 1 23 MET H 1 23 MET HG3 4.800 . 6.000 3.278 2.819 3.537 . 0 0 "[ . 1]" 1
997 1 35 ILE H 1 35 ILE HA 3.900 . 5.800 2.832 2.778 2.891 . 0 0 "[ . 1]" 1
998 1 16 PHE QD 1 26 ALA HA 4.200 . 6.000 3.182 2.894 3.429 . 0 0 "[ . 1]" 1
999 1 13 LEU QD 1 65 TYR H 4.900 . 6.000 3.619 1.883 4.364 0.017 6 0 "[ . 1]" 1
1000 1 63 TYR HA 1 65 TYR H 4.400 . 6.000 2.403 2.158 2.569 . 0 0 "[ . 1]" 1
1001 1 17 VAL QG 1 57 ASN HD21 5.200 . 6.000 4.800 4.651 5.057 . 0 0 "[ . 1]" 1
1002 1 14 TYR H 1 65 TYR HB2 4.300 . 6.000 3.392 3.169 3.722 . 0 0 "[ . 1]" 1
1003 1 16 PHE QB 1 66 ILE MG 4.700 . 6.000 2.625 2.000 3.689 0.000 2 0 "[ . 1]" 1
1004 1 16 PHE QB 1 26 ALA H 5.600 . 6.000 5.538 5.282 5.732 . 0 0 "[ . 1]" 1
1005 1 12 ALA MB 1 14 TYR H 4.700 . 6.000 3.932 3.275 4.423 . 0 0 "[ . 1]" 1
1006 1 35 ILE HA 1 37 SER H 4.400 . 6.000 3.217 3.035 3.444 . 0 0 "[ . 1]" 1
1007 1 16 PHE QB 1 27 LEU MD1 4.300 . 6.000 2.315 1.948 2.588 . 0 0 "[ . 1]" 1
1008 1 16 PHE QB 1 29 LYS H 5.300 . 6.000 3.477 3.334 3.837 . 0 0 "[ . 1]" 1
1009 1 21 PRO HB2 1 21 PRO HD3 4.300 . 6.000 3.137 3.010 3.464 . 0 0 "[ . 1]" 1
1010 1 18 PRO HA 1 24 GLU HA 3.600 . 5.200 3.312 2.451 3.945 . 0 0 "[ . 1]" 1
1011 1 27 LEU H 1 27 LEU HA 4.200 . 6.000 2.306 2.212 2.555 . 0 0 "[ . 1]" 1
1012 1 22 GLU HG2 1 23 MET H 4.500 . 6.000 3.397 2.356 4.084 . 0 0 "[ . 1]" 1
1013 1 14 TYR H 1 27 LEU QB 5.200 . 6.000 3.804 2.740 4.602 . 0 0 "[ . 1]" 1
1014 1 49 TRP HB2 1 66 ILE MD 4.300 . 6.000 2.473 2.109 2.626 . 0 0 "[ . 1]" 1
1015 1 10 ALA H 1 68 ILE HA 4.800 . 6.000 3.741 2.750 4.105 . 0 0 "[ . 1]" 1
1016 1 13 LEU QB 1 65 TYR H 5.300 . 6.000 3.722 2.993 4.015 . 0 0 "[ . 1]" 1
1017 1 12 ALA H 1 32 LEU H 5.100 . 6.000 3.592 3.457 3.757 . 0 0 "[ . 1]" 1
1018 1 48 TRP HH2 1 61 ILE HG13 4.500 . 6.000 4.754 4.526 4.977 . 0 0 "[ . 1]" 1
1019 1 63 TYR HA 1 64 ASN H 4.500 . 6.000 2.869 2.135 3.376 . 0 0 "[ . 1]" 1
1020 1 16 PHE QD 1 19 GLU H 5.000 . 6.000 3.266 2.979 3.686 . 0 0 "[ . 1]" 1
1021 1 26 ALA HA 1 27 LEU QB 5.700 . 6.000 3.379 2.118 3.695 . 0 0 "[ . 1]" 1
1022 1 10 ALA H 1 35 ILE H 5.400 . 6.000 3.525 3.274 3.678 . 0 0 "[ . 1]" 1
1023 1 42 LEU HA 1 43 GLY H 4.500 . 6.000 2.669 2.229 2.747 . 0 0 "[ . 1]" 1
1024 1 16 PHE HZ 1 18 PRO HA 5.000 . 6.000 3.456 3.304 3.658 . 0 0 "[ . 1]" 1
1025 1 28 LYS HB3 1 31 ASP HB3 5.700 . 6.000 3.800 3.217 4.392 . 0 0 "[ . 1]" 1
1026 1 28 LYS HB3 1 31 ASP HB3 5.900 . 6.000 3.751 3.227 4.388 . 0 0 "[ . 1]" 1
1027 1 16 PHE QB 1 17 VAL H 4.600 . 6.000 3.229 3.080 3.303 . 0 0 "[ . 1]" 1
1028 1 16 PHE QD 1 24 GLU HA 5.400 . 6.000 3.658 3.245 4.523 . 0 0 "[ . 1]" 1
1029 1 30 GLY HA2 1 31 ASP H 4.600 . 6.000 2.689 2.279 2.761 . 0 0 "[ . 1]" 1
1030 1 15 ASP HA 1 65 TYR QD 4.300 . 6.000 2.698 2.236 2.902 . 0 0 "[ . 1]" 1
1031 1 42 LEU HA 1 43 GLY H 5.100 . 6.000 3.311 2.321 3.461 . 0 0 "[ . 1]" 1
1032 1 16 PHE HZ 1 17 VAL QG 6.000 . 6.000 4.026 3.888 4.210 . 0 0 "[ . 1]" 1
1033 1 18 PRO HA 1 19 GLU H 4.200 . 6.000 2.085 1.906 2.135 0.094 10 0 "[ . 1]" 1
1034 1 48 TRP HZ3 1 50 LYS H 5.100 . 6.000 6.375 6.341 6.449 0.449 1 0 "[ . 1]" 1
1035 1 10 ALA HA 1 34 ALA MB 6.000 . 6.000 4.385 4.254 4.642 . 0 0 "[ . 1]" 1
1036 1 11 ARG HA 1 27 LEU MD1 5.500 . 6.000 3.664 3.113 5.446 . 0 0 "[ . 1]" 1
1037 1 12 ALA HA 1 29 LYS HE2 5.600 . 6.000 5.275 3.948 6.895 0.895 9 1 "[ . +1]" 1
1038 1 15 ASP HA 1 28 LYS H 6.000 . 6.000 3.733 3.292 3.922 . 0 0 "[ . 1]" 1
1039 1 38 LYS QG 1 49 TRP HH2 2.300 . 6.000 5.377 4.708 5.740 . 0 0 "[ . 1]" 1
1040 1 16 PHE QD 1 62 PRO HG3 1.900 . 6.000 4.201 3.930 4.528 . 0 0 "[ . 1]" 1
1041 1 36 LEU QB 1 50 LYS QG 2.000 . 2.500 1.751 1.720 1.815 . 0 0 "[ . 1]" 1
1042 1 16 PHE HA 1 27 LEU HG 2.200 . 6.000 3.047 2.814 3.190 . 0 0 "[ . 1]" 1
1043 1 16 PHE HZ 1 62 PRO HD3 2.100 . 2.700 2.874 2.670 3.066 0.366 6 0 "[ . 1]" 1
1044 1 11 ARG HG2 1 31 ASP HB3 2.300 . 2.900 2.782 2.536 2.854 . 0 0 "[ . 1]" 1
1045 1 24 GLU QG 1 48 TRP HZ3 2.300 . 3.000 2.979 2.917 3.048 0.048 2 0 "[ . 1]" 1
1046 1 36 LEU QB 1 36 LEU QD 2.100 . 2.600 1.638 1.432 1.796 0.168 3 0 "[ . 1]" 1
1047 1 19 GLU HA 1 19 GLU HB2 2.400 . 3.100 2.377 2.168 2.658 . 0 0 "[ . 1]" 1
1048 1 11 ARG HB3 1 11 ARG QD 2.100 . 2.700 1.958 1.806 2.375 . 0 0 "[ . 1]" 1
1049 1 11 ARG HB3 1 32 LEU HA 2.200 . 2.800 2.634 2.409 2.737 . 0 0 "[ . 1]" 1
1050 1 44 ARG HD2 1 44 ARG QG 2.200 . 2.800 1.939 1.794 2.067 . 0 0 "[ . 1]" 1
1051 1 9 PHE QE 1 36 LEU QD 2.300 . 6.000 3.438 2.752 4.545 . 0 0 "[ . 1]" 1
1052 1 9 PHE HA 1 9 PHE HB3 2.200 . 2.800 2.236 2.187 2.294 . 0 0 "[ . 1]" 1
1053 1 35 ILE MG 1 49 TRP HB3 2.300 . 2.900 2.618 1.789 2.999 0.099 8 0 "[ . 1]" 1
1054 1 15 ASP HB3 1 28 LYS HA 2.500 . 3.300 2.315 2.288 2.340 . 0 0 "[ . 1]" 1
1055 1 67 GLU HA 1 67 GLU HB2 2.600 . 3.400 2.596 2.388 2.951 . 0 0 "[ . 1]" 1
1056 1 16 PHE HA 1 27 LEU QB 2.600 . 3.400 2.215 2.051 2.284 . 0 0 "[ . 1]" 1
1057 1 27 LEU QB 1 65 TYR QD 2.600 . 6.000 3.113 2.540 3.448 . 0 0 "[ . 1]" 1
1058 1 16 PHE HA 1 17 VAL HB 2.300 . 3.000 2.609 2.353 2.873 . 0 0 "[ . 1]" 1
1059 1 42 LEU HA 1 42 LEU HG 2.500 . 3.300 2.117 1.991 2.363 . 0 0 "[ . 1]" 1
1060 1 12 ALA HA 1 12 ALA MB 2.300 . 3.000 2.105 2.089 2.117 . 0 0 "[ . 1]" 1
1061 1 9 PHE HA 1 69 ILE QG 2.200 . 2.800 2.382 2.168 2.498 . 0 0 "[ . 1]" 1
1062 1 19 GLU HA 1 19 GLU HG3 2.800 . 3.800 2.850 2.290 3.382 . 0 0 "[ . 1]" 1
1063 1 33 MET HA 1 53 THR HA 2.300 . 2.900 2.165 2.093 2.261 . 0 0 "[ . 1]" 1
1064 1 49 TRP HZ3 1 68 ILE QG 2.200 . 2.800 2.090 1.819 2.586 . 0 0 "[ . 1]" 1
1065 1 17 VAL HA 1 18 PRO HG3 2.800 . 3.800 2.960 2.931 2.976 . 0 0 "[ . 1]" 1
1066 1 15 ASP HA 1 16 PHE HA 2.600 . 3.400 2.541 1.825 2.857 . 0 0 "[ . 1]" 1
1067 1 17 VAL HA 1 18 PRO HB3 3.100 . 4.300 2.664 2.074 3.354 . 0 0 "[ . 1]" 1
1068 1 11 ARG HB3 1 12 ALA HA 3.200 . 4.500 3.558 3.476 3.654 . 0 0 "[ . 1]" 1
1069 1 11 ARG HA 1 11 ARG HB2 2.400 . 3.100 2.539 2.411 2.618 . 0 0 "[ . 1]" 1
1070 1 10 ALA HA 1 69 ILE HB 2.500 . 3.300 2.550 2.340 2.735 . 0 0 "[ . 1]" 1
1071 1 10 ALA MB 1 68 ILE HA 2.300 . 2.900 2.312 2.045 3.001 0.101 9 0 "[ . 1]" 1
1072 1 21 PRO HA 1 21 PRO HG3 2.900 . 3.900 2.480 2.453 2.512 . 0 0 "[ . 1]" 1
1073 1 18 PRO HA 1 18 PRO HG3 2.500 . 3.300 2.951 2.717 3.528 0.228 9 0 "[ . 1]" 1
1074 1 21 PRO HD3 1 21 PRO HG2 2.300 . 3.000 2.209 2.190 2.239 . 0 0 "[ . 1]" 1
1075 1 9 PHE HB2 1 35 ILE HG12 2.700 . 3.600 2.424 2.123 3.111 . 0 0 "[ . 1]" 1
1076 1 35 ILE MD 1 49 TRP HE3 2.900 . 3.900 2.648 2.131 3.025 . 0 0 "[ . 1]" 1
1077 1 32 LEU HA 1 32 LEU HB3 2.700 . 3.600 2.569 2.442 2.839 . 0 0 "[ . 1]" 1
1078 1 49 TRP HZ3 1 68 ILE MD 2.600 . 3.400 2.352 1.914 2.959 . 0 0 "[ . 1]" 1
1079 1 18 PRO HA 1 18 PRO HB3 2.200 . 2.800 2.070 1.887 2.123 . 0 0 "[ . 1]" 1
1080 1 18 PRO HB3 1 24 GLU HA 3.000 . 4.100 2.162 1.980 2.527 . 0 0 "[ . 1]" 1
1081 1 53 THR HA 1 53 THR MG 2.900 . 3.900 2.720 2.577 2.901 . 0 0 "[ . 1]" 1
1082 1 16 PHE QD 1 18 PRO HA 3.300 . 4.600 3.554 3.305 3.794 . 0 0 "[ . 1]" 1
1083 1 11 ARG HG2 1 66 ILE HA 3.800 . 5.600 3.176 2.784 3.777 . 0 0 "[ . 1]" 1
1084 1 16 PHE HA 1 17 VAL QG 3.500 . 5.000 3.143 2.711 3.353 . 0 0 "[ . 1]" 1
1085 1 39 LYS HA 1 39 LYS QG 3.400 . 4.800 2.541 2.096 2.777 . 0 0 "[ . 1]" 1
1086 1 9 PHE HA 1 9 PHE QE 3.600 . 5.200 4.215 4.065 4.287 . 0 0 "[ . 1]" 1
1087 1 10 ALA HA 1 11 ARG HB2 3.200 . 4.500 2.249 1.926 2.811 . 0 0 "[ . 1]" 1
1088 1 11 ARG HB3 1 30 GLY HA2 2.700 . 6.000 3.751 3.228 4.382 . 0 0 "[ . 1]" 1
1089 1 16 PHE QE 1 24 GLU HB3 2.800 . 3.800 2.401 2.283 2.539 . 0 0 "[ . 1]" 1
1090 1 10 ALA HA 1 35 ILE HG12 3.200 . 4.500 2.114 1.885 2.515 0.015 10 0 "[ . 1]" 1
1091 1 27 LEU MD1 1 65 TYR QD 2.900 . 4.000 2.742 2.210 3.179 . 0 0 "[ . 1]" 1
1092 1 16 PHE HA 1 16 PHE QB 3.000 . 4.100 2.343 2.312 2.366 . 0 0 "[ . 1]" 1
1093 1 9 PHE HB2 1 69 ILE QG 3.300 . 4.600 3.843 3.607 4.239 . 0 0 "[ . 1]" 1
1094 1 11 ARG HA 1 11 ARG HG2 2.700 . 3.600 2.435 2.172 2.832 . 0 0 "[ . 1]" 1
1095 1 48 TRP HZ3 1 61 ILE HA 2.500 . 3.300 2.704 2.238 2.904 . 0 0 "[ . 1]" 1
1096 1 9 PHE HB3 1 9 PHE QE 3.700 . 5.400 3.930 3.762 4.066 . 0 0 "[ . 1]" 1
1097 1 11 ARG HA 1 11 ARG HB3 2.900 . 4.000 2.947 2.914 2.972 . 0 0 "[ . 1]" 1
1098 1 15 ASP HA 1 27 LEU MD1 3.500 . 5.000 2.929 2.849 2.971 . 0 0 "[ . 1]" 1
1099 1 53 THR HA 1 54 LYS HB3 2.000 . 2.500 1.887 1.721 2.663 0.163 3 0 "[ . 1]" 1
1100 1 16 PHE HA 1 27 LEU QB 3.100 . 4.300 2.237 2.061 2.313 . 0 0 "[ . 1]" 1
1101 1 13 LEU QB 1 65 TYR QD 3.000 . 4.200 2.723 2.212 3.135 . 0 0 "[ . 1]" 1
1102 1 9 PHE HB3 1 9 PHE QE 3.200 . 4.500 2.997 2.555 3.188 . 0 0 "[ . 1]" 1
1103 1 16 PHE QE 1 17 VAL QG 3.600 . 5.200 3.593 3.277 3.827 . 0 0 "[ . 1]" 1
1104 1 10 ALA MB 1 51 VAL QG 3.200 . 4.500 2.145 1.894 2.423 0.006 1 0 "[ . 1]" 1
1105 1 15 ASP HA 1 16 PHE QD 3.100 . 4.300 3.170 2.888 3.409 . 0 0 "[ . 1]" 1
1106 1 10 ALA MB 1 35 ILE MD 2.700 . 3.600 2.216 1.619 2.566 0.181 4 0 "[ . 1]" 1
1107 1 13 LEU HA 1 13 LEU QB 3.000 . 4.100 2.423 2.126 2.506 . 0 0 "[ . 1]" 1
1108 1 25 VAL HA 1 25 VAL HB 2.900 . 3.900 2.284 2.199 2.458 . 0 0 "[ . 1]" 1
1109 1 33 MET QG 1 53 THR MG 3.000 . 4.100 1.758 1.561 1.863 0.339 3 0 "[ . 1]" 1
1110 1 16 PHE QB 1 27 LEU QB 2.100 . 2.600 1.492 1.425 1.576 0.175 9 0 "[ . 1]" 1
1111 1 16 PHE QE 1 18 PRO HB3 2.300 . 2.900 1.669 1.493 1.988 0.207 3 0 "[ . 1]" 1
1112 1 49 TRP HB3 1 66 ILE MD 3.200 . 4.500 2.618 2.198 2.901 . 0 0 "[ . 1]" 1
1113 1 17 VAL HB 1 26 ALA HA 3.900 . 5.800 4.483 3.718 4.758 . 0 0 "[ . 1]" 1
1114 1 16 PHE QE 1 17 VAL QG 3.400 . 4.900 3.793 3.561 3.920 . 0 0 "[ . 1]" 1
1115 1 16 PHE HA 1 27 LEU QB 3.100 . 4.300 2.240 2.052 2.321 . 0 0 "[ . 1]" 1
1116 1 61 ILE HB 1 62 PRO HD3 3.200 . 4.500 3.094 2.965 3.549 . 0 0 "[ . 1]" 1
1117 1 16 PHE QB 1 17 VAL QG 3.200 . 4.500 2.305 1.945 2.570 . 0 0 "[ . 1]" 1
1118 1 12 ALA HA 1 66 ILE HG13 3.100 . 4.300 3.358 3.161 3.461 . 0 0 "[ . 1]" 1
1119 1 16 PHE QE 1 61 ILE HA 3.400 . 4.900 3.033 2.883 3.203 . 0 0 "[ . 1]" 1
1120 1 16 PHE QB 1 65 TYR QR 3.000 . 4.100 3.234 2.939 3.481 . 0 0 "[ . 1]" 1
1121 1 28 LYS HB2 1 31 ASP HB3 4.000 . 6.000 3.867 3.274 4.444 . 0 0 "[ . 1]" 1
1122 1 50 LYS HB2 1 60 TYR QE 2.900 . 6.000 2.683 2.211 3.420 . 0 0 "[ . 1]" 1
1123 1 16 PHE QD 1 25 VAL HB 3.300 . 4.600 3.091 2.837 3.306 . 0 0 "[ . 1]" 1
1124 1 28 LYS HD2 1 28 LYS HE2 3.300 . 4.600 2.451 2.207 2.684 . 0 0 "[ . 1]" 1
1125 1 16 PHE HZ 1 61 ILE HA 3.100 . 4.300 2.966 2.491 3.324 . 0 0 "[ . 1]" 1
1126 1 61 ILE HG13 1 65 TYR HB2 2.900 . 3.900 2.144 2.040 2.266 . 0 0 "[ . 1]" 1
1127 1 9 PHE HB2 1 34 ALA MB 3.400 . 4.900 2.301 2.121 2.758 . 0 0 "[ . 1]" 1
1128 1 51 VAL QG 1 61 ILE HB 3.000 . 4.100 2.092 2.002 2.118 . 0 0 "[ . 1]" 1
1129 1 16 PHE HA 1 16 PHE QE 4.000 . 6.000 4.515 4.441 4.574 . 0 0 "[ . 1]" 1
1130 1 13 LEU HA 1 13 LEU HG 3.300 . 4.700 2.990 2.228 3.489 . 0 0 "[ . 1]" 1
1131 1 16 PHE QD 1 65 TYR HB2 3.300 . 4.700 3.106 2.978 3.294 . 0 0 "[ . 1]" 1
1132 1 18 PRO HA 1 24 GLU HA 2.800 . 3.800 2.209 1.825 2.954 . 0 0 "[ . 1]" 1
1133 1 49 TRP HB3 1 66 ILE MD 3.500 . 5.000 2.386 2.144 2.672 . 0 0 "[ . 1]" 1
1134 1 16 PHE HZ 1 18 PRO HA 4.200 . 6.000 4.446 3.990 5.059 . 0 0 "[ . 1]" 1
1135 1 25 VAL HB 1 48 TRP HZ3 4.500 . 6.000 6.526 6.005 6.910 0.910 10 6 "[ * * *-*+]" 1
1136 1 48 TRP HA 1 48 TRP HD1 3.700 . 5.400 3.966 3.776 4.138 . 0 0 "[ . 1]" 1
1137 1 16 PHE HA 1 25 VAL MG1 4.100 . 6.000 3.917 3.622 4.472 . 0 0 "[ . 1]" 1
1138 1 11 ARG HB3 1 32 LEU HA 3.300 . 4.600 2.589 2.385 2.670 . 0 0 "[ . 1]" 1
1139 1 18 PRO HD3 1 23 MET HB3 2.600 . 6.000 5.025 4.909 5.099 . 0 0 "[ . 1]" 1
1140 1 27 LEU HA 1 28 LYS HD2 4.100 . 6.000 4.261 3.142 4.932 . 0 0 "[ . 1]" 1
1141 1 18 PRO HA 1 18 PRO HG2 3.300 . 4.600 2.616 2.497 2.914 . 0 0 "[ . 1]" 1
1142 1 61 ILE HG12 1 66 ILE HA 3.600 . 5.200 3.541 3.476 3.602 . 0 0 "[ . 1]" 1
1143 1 27 LEU MD1 1 48 TRP HH2 3.400 . 4.900 4.424 4.163 4.700 . 0 0 "[ . 1]" 1
1144 1 12 ALA MB 1 32 LEU HA 3.400 . 4.900 2.784 2.685 2.879 . 0 0 "[ . 1]" 1
1145 1 37 SER QB 1 60 TYR QE 4.100 . 6.000 3.711 2.491 4.286 . 0 0 "[ . 1]" 1
1146 1 16 PHE QB 1 61 ILE MD 3.300 . 4.700 2.010 1.711 2.258 0.189 4 0 "[ . 1]" 1
1147 1 35 ILE MD 1 49 TRP HE3 3.700 . 5.400 2.703 2.322 3.108 . 0 0 "[ . 1]" 1
1148 1 16 PHE QB 1 61 ILE MD 3.400 . 4.900 2.225 1.932 2.581 . 0 0 "[ . 1]" 1
1149 1 15 ASP HB3 1 65 TYR QD 3.700 . 5.400 4.164 2.955 5.088 . 0 0 "[ . 1]" 1
1150 1 35 ILE MG 1 51 VAL HA 3.900 . 5.800 2.722 2.368 3.019 . 0 0 "[ . 1]" 1
1151 1 16 PHE QB 1 65 TYR QD 3.300 . 4.700 3.281 2.984 3.537 . 0 0 "[ . 1]" 1
1152 1 39 LYS HA 1 49 TRP HD1 3.800 . 5.600 3.729 3.132 4.125 . 0 0 "[ . 1]" 1
1153 1 48 TRP HZ3 1 60 TYR HA 4.400 . 6.000 3.551 3.467 3.730 . 0 0 "[ . 1]" 1
1154 1 16 PHE QE 1 57 ASN QB 5.200 . 6.000 5.529 5.366 5.657 . 0 0 "[ . 1]" 1
1155 1 36 LEU QB 1 50 LYS HA 5.400 . 6.000 3.674 3.479 3.923 . 0 0 "[ . 1]" 1
1156 1 13 LEU QD 1 63 TYR QD 4.400 . 6.000 4.770 4.362 4.938 . 0 0 "[ . 1]" 1
1157 1 9 PHE QD 1 32 LEU MD2 3.800 . 5.600 4.273 3.712 4.618 . 0 0 "[ . 1]" 1
1158 1 11 ARG HG2 1 27 LEU HA 4.700 . 6.000 3.288 2.772 3.628 . 0 0 "[ . 1]" 1
1159 1 62 PRO HB2 1 62 PRO HG3 3.300 . 4.700 1.832 1.822 1.847 0.078 6 0 "[ . 1]" 1
1160 1 13 LEU QB 1 65 TYR QD 4.700 . 6.000 3.084 2.616 3.410 . 0 0 "[ . 1]" 1
1161 1 16 PHE QD 1 27 LEU MD2 4.700 . 6.000 3.503 2.689 4.077 . 0 0 "[ . 1]" 1
1162 1 52 ARG QB 1 56 GLY QA 3.600 . 5.200 3.823 3.242 4.551 . 0 0 "[ . 1]" 1
1163 1 28 LYS HB2 1 31 ASP HB3 5.000 . 6.000 3.980 3.297 4.783 . 0 0 "[ . 1]" 1
1164 1 24 GLU HA 1 25 VAL MG1 4.400 . 6.000 3.093 2.966 3.183 . 0 0 "[ . 1]" 1
1165 1 48 TRP HE3 1 61 ILE MD 5.900 . 6.000 5.391 5.257 5.498 . 0 0 "[ . 1]" 1
1166 1 16 PHE HZ 1 19 GLU HG2 4.400 . 6.000 2.672 1.875 3.256 0.125 10 0 "[ . 1]" 1
1167 1 11 ARG HG2 1 27 LEU HA 5.500 . 6.000 3.481 2.794 3.924 . 0 0 "[ . 1]" 1
1168 1 16 PHE QE 1 62 PRO HG3 4.500 . 6.000 2.285 1.980 2.628 0.020 9 0 "[ . 1]" 1
1169 1 63 TYR HA 1 63 TYR HB2 4.100 . 6.000 2.198 2.067 2.301 . 0 0 "[ . 1]" 1
1170 1 49 TRP HZ3 1 68 ILE QG 4.600 . 6.000 2.116 1.821 2.686 0.179 4 0 "[ . 1]" 1
1171 1 16 PHE QE 1 17 VAL QG 6.000 . 6.000 3.936 3.656 4.061 . 0 0 "[ . 1]" 1
1172 1 16 PHE QE 1 27 LEU MD2 6.000 . 6.000 3.893 2.880 4.832 . 0 0 "[ . 1]" 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 38
_Distance_constraint_stats_list.Viol_count 140
_Distance_constraint_stats_list.Viol_total 83.731
_Distance_constraint_stats_list.Viol_max 0.253
_Distance_constraint_stats_list.Viol_rms 0.0439
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0220
_Distance_constraint_stats_list.Viol_average_violations_only 0.0598
_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 9 PHE 0.992 0.253 10 0 "[ . 1]"
1 10 ALA 0.961 0.115 5 0 "[ . 1]"
1 11 ARG 0.088 0.033 6 0 "[ . 1]"
1 12 ALA 0.061 0.034 9 0 "[ . 1]"
1 13 LEU 0.171 0.045 1 0 "[ . 1]"
1 16 PHE 1.247 0.145 7 0 "[ . 1]"
1 27 LEU 1.247 0.145 7 0 "[ . 1]"
1 31 ASP 0.061 0.034 9 0 "[ . 1]"
1 33 MET 0.961 0.115 5 0 "[ . 1]"
1 34 ALA 0.745 0.116 9 0 "[ . 1]"
1 36 LEU 0.242 0.065 1 0 "[ . 1]"
1 47 ASP 2.742 0.242 1 0 "[ . 1]"
1 49 TRP 0.187 0.072 10 0 "[ . 1]"
1 50 LYS 0.242 0.065 1 0 "[ . 1]"
1 51 VAL 0.496 0.072 9 0 "[ . 1]"
1 52 ARG 0.745 0.116 9 0 "[ . 1]"
1 53 THR 0.441 0.060 6 0 "[ . 1]"
1 57 ASN 0.441 0.060 6 0 "[ . 1]"
1 59 GLY 0.496 0.072 9 0 "[ . 1]"
1 61 ILE 0.187 0.072 10 0 "[ . 1]"
1 63 TYR 2.742 0.242 1 0 "[ . 1]"
1 65 TYR 0.171 0.045 1 0 "[ . 1]"
1 67 GLU 0.088 0.033 6 0 "[ . 1]"
1 69 ILE 0.992 0.253 10 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 9 PHE O 1 69 ILE H 1.800 . 2.100 2.168 2.102 2.353 0.253 10 0 "[ . 1]" 2
2 1 9 PHE O 1 69 ILE N 2.800 2.500 3.100 3.112 3.015 3.342 0.242 10 0 "[ . 1]" 2
3 1 11 ARG H 1 67 GLU O 1.800 . 2.100 2.037 1.932 2.133 0.033 6 0 "[ . 1]" 2
4 1 11 ARG N 1 67 GLU O 2.800 2.500 3.100 2.935 2.704 3.109 0.009 6 0 "[ . 1]" 2
5 1 11 ARG O 1 67 GLU H 1.800 . 2.100 1.945 1.820 2.130 0.030 10 0 "[ . 1]" 2
6 1 11 ARG O 1 67 GLU N 2.800 2.500 3.100 2.731 2.498 2.889 0.002 10 0 "[ . 1]" 2
7 1 13 LEU H 1 65 TYR O 1.800 . 2.100 2.089 1.921 2.145 0.045 1 0 "[ . 1]" 2
8 1 13 LEU N 1 65 TYR O 2.800 2.500 3.100 2.897 2.722 3.060 . 0 0 "[ . 1]" 2
9 1 10 ALA H 1 33 MET O 1.800 . 2.100 2.147 2.057 2.215 0.115 5 0 "[ . 1]" 2
10 1 10 ALA N 1 33 MET O 2.800 2.500 3.100 2.798 2.703 2.869 . 0 0 "[ . 1]" 2
11 1 10 ALA O 1 33 MET H 1.800 . 2.100 2.139 2.045 2.213 0.113 2 0 "[ . 1]" 2
12 1 10 ALA O 1 33 MET N 2.800 2.500 3.100 2.914 2.727 3.059 . 0 0 "[ . 1]" 2
13 1 12 ALA H 1 31 ASP O 1.800 . 2.100 1.812 1.699 1.876 . 0 0 "[ . 1]" 2
14 1 12 ALA N 1 31 ASP O 2.800 2.500 3.100 2.608 2.466 2.754 0.034 9 0 "[ . 1]" 2
15 1 36 LEU H 1 50 LYS O 1.800 . 2.100 2.095 1.913 2.165 0.065 1 0 "[ . 1]" 2
16 1 36 LEU N 1 50 LYS O 2.800 2.500 3.100 3.034 2.829 3.108 0.008 1 0 "[ . 1]" 2
17 1 34 ALA O 1 52 ARG H 1.800 . 2.100 1.934 1.774 2.186 0.086 4 0 "[ . 1]" 2
18 1 34 ALA O 1 52 ARG N 2.800 2.500 3.100 2.842 2.643 3.062 . 0 0 "[ . 1]" 2
19 1 34 ALA H 1 52 ARG O 1.800 . 2.100 2.137 2.053 2.216 0.116 9 0 "[ . 1]" 2
20 1 34 ALA N 1 52 ARG O 2.800 2.500 3.100 3.085 2.989 3.155 0.055 9 0 "[ . 1]" 2
21 1 47 ASP O 1 63 TYR H 1.800 . 2.100 2.260 2.176 2.342 0.242 1 0 "[ . 1]" 2
22 1 47 ASP O 1 63 TYR N 2.800 2.500 3.100 3.215 3.131 3.270 0.170 7 0 "[ . 1]" 2
23 1 49 TRP H 1 61 ILE O 1.800 . 2.100 2.087 2.018 2.172 0.072 10 0 "[ . 1]" 2
24 1 49 TRP N 1 61 ILE O 2.800 2.500 3.100 3.000 2.924 3.083 . 0 0 "[ . 1]" 2
25 1 49 TRP O 1 61 ILE H 1.800 . 2.100 1.877 1.803 1.950 . 0 0 "[ . 1]" 2
26 1 49 TRP O 1 61 ILE N 2.800 2.500 3.100 2.568 2.518 2.671 . 0 0 "[ . 1]" 2
27 1 51 VAL H 1 59 GLY O 1.800 . 2.100 2.066 1.936 2.125 0.025 9 0 "[ . 1]" 2
28 1 51 VAL N 1 59 GLY O 2.800 2.500 3.100 2.882 2.788 2.939 . 0 0 "[ . 1]" 2
29 1 51 VAL O 1 59 GLY H 1.800 . 2.100 2.122 1.950 2.172 0.072 9 0 "[ . 1]" 2
30 1 51 VAL O 1 59 GLY N 2.800 2.500 3.100 3.046 2.864 3.132 0.032 4 0 "[ . 1]" 2
31 1 53 THR H 1 57 ASN O 1.800 . 2.100 2.056 1.822 2.134 0.034 9 0 "[ . 1]" 2
32 1 53 THR N 1 57 ASN O 2.800 2.500 3.100 2.958 2.743 3.058 . 0 0 "[ . 1]" 2
33 1 53 THR O 1 57 ASN H 1.800 . 2.100 2.101 2.006 2.160 0.060 6 0 "[ . 1]" 2
34 1 53 THR O 1 57 ASN N 2.800 2.500 3.100 3.054 2.938 3.121 0.021 7 0 "[ . 1]" 2
35 1 16 PHE O 1 27 LEU H 1.800 . 2.100 2.062 1.970 2.142 0.042 10 0 "[ . 1]" 2
36 1 16 PHE O 1 27 LEU N 2.800 2.500 3.100 2.891 2.711 3.050 . 0 0 "[ . 1]" 2
37 1 16 PHE H 1 27 LEU O 1.800 . 2.100 2.217 2.181 2.245 0.145 7 0 "[ . 1]" 2
38 1 16 PHE N 1 27 LEU O 2.800 2.500 3.100 2.642 2.587 2.675 . 0 0 "[ . 1]" 2
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