NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384865 |
1kq8   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kq8
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 949
_Distance_constraint_stats_list.Viol_count 1000
_Distance_constraint_stats_list.Viol_total 937.745
_Distance_constraint_stats_list.Viol_max 0.216
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0469
_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 7 TYR 0.579 0.058 14 0 "[ . 1 . 2]"
1 8 ILE 0.141 0.037 14 0 "[ . 1 . 2]"
1 9 ALA 0.152 0.062 16 0 "[ . 1 . 2]"
1 10 LEU 1.787 0.113 8 0 "[ . 1 . 2]"
1 11 ILE 2.170 0.162 4 0 "[ . 1 . 2]"
1 12 THR 1.945 0.169 8 0 "[ . 1 . 2]"
1 13 MET 1.903 0.169 8 0 "[ . 1 . 2]"
1 14 ALA 2.157 0.162 4 0 "[ . 1 . 2]"
1 15 ILE 1.486 0.138 3 0 "[ . 1 . 2]"
1 16 ARG 0.686 0.050 20 0 "[ . 1 . 2]"
1 17 ASP 1.158 0.096 5 0 "[ . 1 . 2]"
1 18 SER 5.830 0.216 6 0 "[ . 1 . 2]"
1 19 ALA 2.758 0.199 7 0 "[ . 1 . 2]"
1 20 GLY 0.094 0.056 20 0 "[ . 1 . 2]"
1 21 GLY 4.826 0.216 6 0 "[ . 1 . 2]"
1 22 ARG 3.068 0.145 20 0 "[ . 1 . 2]"
1 23 LEU 0.329 0.073 2 0 "[ . 1 . 2]"
1 24 THR 1.038 0.127 8 0 "[ . 1 . 2]"
1 25 LEU 3.205 0.152 18 0 "[ . 1 . 2]"
1 26 ALA 2.115 0.102 9 0 "[ . 1 . 2]"
1 27 GLU 1.788 0.108 12 0 "[ . 1 . 2]"
1 28 ILE 0.808 0.063 16 0 "[ . 1 . 2]"
1 29 ASN 0.916 0.108 12 0 "[ . 1 . 2]"
1 30 GLU 1.969 0.097 13 0 "[ . 1 . 2]"
1 31 TYR 2.923 0.138 3 0 "[ . 1 . 2]"
1 32 LEU 0.787 0.063 16 0 "[ . 1 . 2]"
1 33 MET 0.794 0.112 19 0 "[ . 1 . 2]"
1 34 GLY 0.004 0.004 16 0 "[ . 1 . 2]"
1 35 LYS 0.059 0.021 18 0 "[ . 1 . 2]"
1 36 PHE 0.703 0.112 19 0 "[ . 1 . 2]"
1 37 PRO 0.079 0.023 2 0 "[ . 1 . 2]"
1 38 PHE 0.119 0.027 9 0 "[ . 1 . 2]"
1 39 PHE 0.452 0.044 14 0 "[ . 1 . 2]"
1 40 ARG 0.352 0.090 10 0 "[ . 1 . 2]"
1 41 GLY 0.147 0.034 9 0 "[ . 1 . 2]"
1 42 SER 0.209 0.034 9 0 "[ . 1 . 2]"
1 43 TYR 0.755 0.113 16 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TRP 0.884 0.113 16 0 "[ . 1 . 2]"
1 47 ARG 0.626 0.068 13 0 "[ . 1 . 2]"
1 48 ASN 0.519 0.094 19 0 "[ . 1 . 2]"
1 49 SER 1.007 0.082 10 0 "[ . 1 . 2]"
1 50 VAL 0.193 0.048 13 0 "[ . 1 . 2]"
1 51 ARG 2.995 0.186 9 0 "[ . 1 . 2]"
1 52 HIS 1.493 0.116 20 0 "[ . 1 . 2]"
1 53 ASN 2.730 0.155 12 0 "[ . 1 . 2]"
1 54 LEU 2.316 0.186 9 0 "[ . 1 . 2]"
1 55 SER 2.205 0.155 12 0 "[ . 1 . 2]"
1 56 LEU 0.322 0.066 4 0 "[ . 1 . 2]"
1 57 ASN 0.004 0.004 5 0 "[ . 1 . 2]"
1 58 ASP 0.678 0.103 10 0 "[ . 1 . 2]"
1 59 CYS 0.368 0.103 10 0 "[ . 1 . 2]"
1 60 PHE 3.122 0.213 4 0 "[ . 1 . 2]"
1 61 VAL 0.601 0.123 10 0 "[ . 1 . 2]"
1 62 LYS 0.867 0.155 5 0 "[ . 1 . 2]"
1 63 VAL 3.389 0.185 9 0 "[ . 1 . 2]"
1 64 LEU 0.197 0.045 10 0 "[ . 1 . 2]"
1 65 ARG 0.252 0.144 12 0 "[ . 1 . 2]"
1 66 ASP 0.411 0.139 6 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 0.028 0.015 14 0 "[ . 1 . 2]"
1 69 ARG 0.320 0.095 19 0 "[ . 1 . 2]"
1 70 PRO 0.200 0.053 8 0 "[ . 1 . 2]"
1 71 TRP 0.192 0.166 3 0 "[ . 1 . 2]"
1 72 GLY 0.559 0.166 3 0 "[ . 1 . 2]"
1 73 LYS 0.002 0.002 16 0 "[ . 1 . 2]"
1 74 ASP 0.104 0.045 4 0 "[ . 1 . 2]"
1 75 ASN 0.847 0.092 15 0 "[ . 1 . 2]"
1 76 TYR 6.086 0.185 9 0 "[ . 1 . 2]"
1 77 TRP 4.010 0.155 5 0 "[ . 1 . 2]"
1 78 MET 0.579 0.123 10 0 "[ . 1 . 2]"
1 79 LEU 0.027 0.016 4 0 "[ . 1 . 2]"
1 80 ASN 4.513 0.213 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 TYR CG 1 8 ILE H . . 7.000 4.381 3.926 4.661 . 0 0 "[ . 1 . 2]" 1
2 1 7 TYR CG 1 10 LEU QD . . 9.000 3.529 2.339 4.571 . 0 0 "[ . 1 . 2]" 1
3 1 7 TYR CG 1 11 ILE H . . 8.000 6.065 5.384 6.494 . 0 0 "[ . 1 . 2]" 1
4 1 7 TYR CG 1 46 TRP HD1 . . 7.500 7.518 7.479 7.547 0.047 16 0 "[ . 1 . 2]" 1
5 1 7 TYR CZ 1 8 ILE H . . 8.000 7.078 6.537 7.412 . 0 0 "[ . 1 . 2]" 1
6 1 7 TYR CZ 1 10 LEU QD . . 8.500 4.232 3.034 5.427 . 0 0 "[ . 1 . 2]" 1
7 1 7 TYR CZ 1 46 TRP HD1 . . 7.500 5.261 4.750 6.333 . 0 0 "[ . 1 . 2]" 1
8 1 7 TYR H 1 8 ILE H . . 2.800 2.594 2.397 2.785 . 0 0 "[ . 1 . 2]" 1
9 1 7 TYR H 1 9 ALA H . . 4.500 3.971 3.361 4.500 . 0 0 "[ . 1 . 2]" 1
10 1 7 TYR H 1 10 LEU H . . 6.000 4.610 4.313 5.116 . 0 0 "[ . 1 . 2]" 1
11 1 7 TYR H 1 10 LEU QB . . 6.500 4.808 4.120 5.356 . 0 0 "[ . 1 . 2]" 1
12 1 7 TYR HA 1 8 ILE H . . 4.000 3.609 3.531 3.642 . 0 0 "[ . 1 . 2]" 1
13 1 7 TYR HA 1 9 ALA H . . 5.000 4.281 3.528 4.875 . 0 0 "[ . 1 . 2]" 1
14 1 7 TYR HA 1 10 LEU H . . 4.000 3.322 2.860 3.682 . 0 0 "[ . 1 . 2]" 1
15 1 7 TYR HA 1 10 LEU HB2 . . 5.500 4.094 3.221 5.280 . 0 0 "[ . 1 . 2]" 1
16 1 7 TYR HA 1 10 LEU HB3 . . 5.500 2.766 2.005 4.054 . 0 0 "[ . 1 . 2]" 1
17 1 7 TYR HA 1 10 LEU HG . . 5.500 3.685 2.002 5.435 . 0 0 "[ . 1 . 2]" 1
18 1 7 TYR HA 1 11 ILE H . . 5.000 4.094 3.768 4.421 . 0 0 "[ . 1 . 2]" 1
19 1 7 TYR HB2 1 8 ILE H . . 4.500 2.855 2.442 3.470 . 0 0 "[ . 1 . 2]" 1
20 1 7 TYR HB3 1 8 ILE H . . 4.500 2.930 1.941 3.850 . 0 0 "[ . 1 . 2]" 1
21 1 7 TYR O 1 11 ILE H . . 2.000 1.956 1.781 2.058 0.058 14 0 "[ . 1 . 2]" 1
22 1 7 TYR O 1 11 ILE N . . 3.000 2.880 2.694 3.015 0.015 14 0 "[ . 1 . 2]" 1
23 1 8 ILE H 1 9 ALA H . . 2.800 2.685 2.538 2.809 0.009 15 0 "[ . 1 . 2]" 1
24 1 8 ILE H 1 10 LEU H . . 4.500 4.207 3.789 4.525 0.025 14 0 "[ . 1 . 2]" 1
25 1 8 ILE H 1 11 ILE H . . 6.000 4.726 4.464 4.883 . 0 0 "[ . 1 . 2]" 1
26 1 8 ILE HA 1 9 ALA H . . 4.000 3.580 3.443 3.634 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE HA 1 10 LEU H . . 5.000 4.560 4.147 4.975 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE HA 1 11 ILE H . . 4.000 3.451 3.341 3.623 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE HA 1 11 ILE HB . . 5.500 2.714 2.349 3.137 . 0 0 "[ . 1 . 2]" 1
30 1 8 ILE HA 1 12 THR H . . 5.000 4.042 3.726 4.286 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE HB 1 9 ALA H . . 5.000 3.762 2.413 4.383 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE QG 1 9 ALA H . . 4.500 2.723 1.931 3.974 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE MG 1 9 ALA H . . 5.500 3.453 1.893 4.190 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE O 1 12 THR H . . 2.000 1.929 1.785 2.037 0.037 14 0 "[ . 1 . 2]" 1
35 1 8 ILE O 1 12 THR N . . 3.000 2.861 2.691 3.011 0.011 18 0 "[ . 1 . 2]" 1
36 1 9 ALA H 1 10 LEU H . . 2.800 2.629 2.459 2.770 . 0 0 "[ . 1 . 2]" 1
37 1 9 ALA H 1 11 ILE H . . 4.500 4.031 3.605 4.447 . 0 0 "[ . 1 . 2]" 1
38 1 9 ALA H 1 12 THR H . . 6.000 4.579 4.307 5.018 . 0 0 "[ . 1 . 2]" 1
39 1 9 ALA HA 1 10 LEU H . . 4.000 3.614 3.557 3.640 . 0 0 "[ . 1 . 2]" 1
40 1 9 ALA HA 1 11 ILE H . . 5.000 4.322 3.990 4.652 . 0 0 "[ . 1 . 2]" 1
41 1 9 ALA HA 1 12 THR H . . 4.000 3.260 3.088 3.604 . 0 0 "[ . 1 . 2]" 1
42 1 9 ALA HA 1 12 THR HB . . 5.500 2.359 2.000 2.640 . 0 0 "[ . 1 . 2]" 1
43 1 9 ALA HA 1 12 THR MG . . 6.500 3.683 3.236 4.025 . 0 0 "[ . 1 . 2]" 1
44 1 9 ALA HA 1 13 MET H . . 5.000 4.027 3.820 4.296 . 0 0 "[ . 1 . 2]" 1
45 1 9 ALA MB 1 10 LEU H . . 6.000 2.534 2.268 2.822 . 0 0 "[ . 1 . 2]" 1
46 1 9 ALA O 1 13 MET H . . 2.000 1.904 1.783 2.062 0.062 16 0 "[ . 1 . 2]" 1
47 1 9 ALA O 1 13 MET N . . 3.000 2.857 2.747 3.003 0.003 16 0 "[ . 1 . 2]" 1
48 1 10 LEU H 1 11 ILE H . . 2.800 2.751 2.638 2.832 0.032 11 0 "[ . 1 . 2]" 1
49 1 10 LEU H 1 12 THR H . . 4.500 4.213 3.854 4.550 0.050 15 0 "[ . 1 . 2]" 1
50 1 10 LEU H 1 13 MET H . . 6.000 4.805 4.656 4.950 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU H 1 31 TYR CZ . . 8.500 8.473 8.259 8.586 0.086 14 0 "[ . 1 . 2]" 1
52 1 10 LEU HA 1 11 ILE H . . 5.000 3.598 3.535 3.631 . 0 0 "[ . 1 . 2]" 1
53 1 10 LEU HA 1 13 MET H . . 4.000 3.571 3.440 3.728 . 0 0 "[ . 1 . 2]" 1
54 1 10 LEU HA 1 13 MET HB2 . . 5.500 4.613 3.642 4.990 . 0 0 "[ . 1 . 2]" 1
55 1 10 LEU HA 1 13 MET HB3 . . 5.500 3.929 2.589 4.297 . 0 0 "[ . 1 . 2]" 1
56 1 10 LEU HA 1 14 ALA H . . 5.000 4.212 4.027 4.421 . 0 0 "[ . 1 . 2]" 1
57 1 10 LEU HA 1 36 PHE CZ . . 7.500 4.609 3.264 6.061 . 0 0 "[ . 1 . 2]" 1
58 1 10 LEU HB2 1 11 ILE H . . 4.500 4.147 3.998 4.254 . 0 0 "[ . 1 . 2]" 1
59 1 10 LEU HB3 1 11 ILE H . . 4.500 3.320 2.628 3.971 . 0 0 "[ . 1 . 2]" 1
60 1 10 LEU QD 1 11 ILE H . . 7.500 2.850 2.141 3.584 . 0 0 "[ . 1 . 2]" 1
61 1 10 LEU QD 1 31 TYR CG . . 8.900 5.809 5.215 6.182 . 0 0 "[ . 1 . 2]" 1
62 1 10 LEU QD 1 31 TYR CZ . . 8.500 4.570 3.712 5.468 . 0 0 "[ . 1 . 2]" 1
63 1 10 LEU QD 1 32 LEU MD1 . . 7.900 2.223 1.701 3.209 . 0 0 "[ . 1 . 2]" 1
64 1 10 LEU QD 1 32 LEU MD2 . . 7.900 1.772 1.624 2.190 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU QD 1 46 TRP HH2 . . 7.900 5.095 3.953 5.844 . 0 0 "[ . 1 . 2]" 1
66 1 10 LEU QD 1 50 VAL MG1 . . 7.500 3.553 2.622 4.314 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU QD 1 50 VAL MG2 . . 7.500 2.892 2.297 3.550 . 0 0 "[ . 1 . 2]" 1
68 1 10 LEU MD1 1 36 PHE CG . . 7.500 4.431 2.999 5.775 . 0 0 "[ . 1 . 2]" 1
69 1 10 LEU MD1 1 36 PHE CZ . . 7.500 3.591 2.197 4.927 . 0 0 "[ . 1 . 2]" 1
70 1 10 LEU MD1 1 36 PHE HZ . . 6.500 3.640 2.216 5.099 . 0 0 "[ . 1 . 2]" 1
71 1 10 LEU MD1 1 39 PHE CZ . . 8.500 4.584 2.832 5.348 . 0 0 "[ . 1 . 2]" 1
72 1 10 LEU MD1 1 39 PHE HZ . . 6.500 4.571 2.691 5.247 . 0 0 "[ . 1 . 2]" 1
73 1 10 LEU MD2 1 36 PHE CG . . 7.500 4.725 3.519 5.894 . 0 0 "[ . 1 . 2]" 1
74 1 10 LEU MD2 1 36 PHE CZ . . 7.500 4.087 2.570 5.313 . 0 0 "[ . 1 . 2]" 1
75 1 10 LEU MD2 1 36 PHE HZ . . 6.500 4.168 2.788 5.451 . 0 0 "[ . 1 . 2]" 1
76 1 10 LEU MD2 1 39 PHE CZ . . 8.500 3.524 2.871 5.026 . 0 0 "[ . 1 . 2]" 1
77 1 10 LEU MD2 1 39 PHE HZ . . 6.500 3.283 2.494 4.962 . 0 0 "[ . 1 . 2]" 1
78 1 10 LEU HG 1 11 ILE H . . 4.500 2.849 1.929 4.128 . 0 0 "[ . 1 . 2]" 1
79 1 10 LEU HG 1 32 LEU QD . . 7.900 3.018 1.885 4.309 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU O 1 14 ALA H . . 2.000 2.055 1.994 2.113 0.113 8 0 "[ . 1 . 2]" 1
81 1 10 LEU O 1 14 ALA N . . 3.000 2.795 2.676 2.891 . 0 0 "[ . 1 . 2]" 1
82 1 11 ILE H 1 11 ILE HB . . 3.500 2.127 1.985 2.408 . 0 0 "[ . 1 . 2]" 1
83 1 11 ILE H 1 12 THR H . . 2.800 2.646 2.455 2.818 0.018 15 0 "[ . 1 . 2]" 1
84 1 11 ILE H 1 13 MET H . . 4.500 4.202 3.785 4.461 . 0 0 "[ . 1 . 2]" 1
85 1 11 ILE H 1 14 ALA H . . 6.000 4.472 4.325 4.593 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE H 1 14 ALA MB . . 6.500 4.178 3.911 4.537 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE H 1 31 TYR CZ . . 8.500 7.902 7.425 8.449 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE HA 1 12 THR H . . 4.000 3.610 3.576 3.640 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE HA 1 13 MET H . . 5.000 4.448 4.050 4.745 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE HA 1 14 ALA H . . 4.000 3.124 2.921 3.281 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE HA 1 14 ALA MB . . 5.500 2.102 1.913 2.528 . 0 0 "[ . 1 . 2]" 1
92 1 11 ILE HA 1 31 TYR CZ . . 7.500 6.535 5.894 7.448 . 0 0 "[ . 1 . 2]" 1
93 1 11 ILE MD 1 14 ALA H . . 6.500 4.907 4.179 5.405 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE MD 1 28 ILE MG . . 7.000 4.108 3.493 4.787 . 0 0 "[ . 1 . 2]" 1
95 1 11 ILE MD 1 32 LEU QD . . 8.900 3.125 2.125 5.097 . 0 0 "[ . 1 . 2]" 1
96 1 11 ILE MD 1 50 VAL H . . 6.500 4.954 4.155 5.283 . 0 0 "[ . 1 . 2]" 1
97 1 11 ILE MD 1 50 VAL MG1 . . 7.000 2.235 1.629 3.744 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE MD 1 50 VAL MG2 . . 7.000 2.264 1.671 3.243 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE MD 1 53 ASN QB . . 7.000 3.513 2.815 4.320 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE MD 1 54 LEU H . . 6.500 4.209 2.880 5.438 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE MD 1 54 LEU HA . . 7.000 3.940 2.188 5.273 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE MD 1 54 LEU QB . . 6.500 3.551 1.949 4.788 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE MD 1 54 LEU MD1 . . 7.500 2.709 1.614 4.703 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE MD 1 54 LEU MD2 . . 7.500 4.468 3.628 5.332 . 0 0 "[ . 1 . 2]" 1
105 1 11 ILE QG 1 14 ALA H . . 6.500 5.128 4.715 5.568 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE QG 1 15 ILE H . . 7.000 5.230 4.366 6.150 . 0 0 "[ . 1 . 2]" 1
107 1 11 ILE QG 1 53 ASN H . . 6.500 5.027 4.510 5.475 . 0 0 "[ . 1 . 2]" 1
108 1 11 ILE QG 1 54 LEU MD1 . . 7.500 2.776 1.701 3.589 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE QG 1 54 LEU MD2 . . 7.500 4.488 2.769 5.609 . 0 0 "[ . 1 . 2]" 1
110 1 11 ILE HG12 1 14 ALA H . . 6.500 6.101 5.467 6.599 0.099 6 0 "[ . 1 . 2]" 1
111 1 11 ILE HG12 1 54 LEU H . . 5.500 4.700 3.463 5.612 0.112 19 0 "[ . 1 . 2]" 1
112 1 11 ILE HG13 1 14 ALA H . . 6.500 5.782 4.891 6.662 0.162 4 0 "[ . 1 . 2]" 1
113 1 11 ILE HG13 1 54 LEU H . . 5.500 4.817 3.883 5.592 0.092 6 0 "[ . 1 . 2]" 1
114 1 11 ILE MG 1 12 THR H . . 6.000 2.809 1.911 3.198 . 0 0 "[ . 1 . 2]" 1
115 1 11 ILE MG 1 15 ILE H . . 6.000 3.608 3.288 3.836 . 0 0 "[ . 1 . 2]" 1
116 1 11 ILE MG 1 15 ILE QG . . 7.500 3.026 1.871 5.038 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE MG 1 15 ILE MG . . 7.500 3.628 2.059 4.511 . 0 0 "[ . 1 . 2]" 1
118 1 11 ILE MG 1 28 ILE MG . . 7.500 4.888 4.573 5.038 . 0 0 "[ . 1 . 2]" 1
119 1 11 ILE MG 1 54 LEU HA . . 6.500 2.100 1.790 2.665 . 0 0 "[ . 1 . 2]" 1
120 1 11 ILE MG 1 54 LEU QB . . 7.500 3.375 2.729 4.284 . 0 0 "[ . 1 . 2]" 1
121 1 11 ILE MG 1 54 LEU MD1 . . 6.500 2.501 1.809 3.477 . 0 0 "[ . 1 . 2]" 1
122 1 11 ILE MG 1 54 LEU MD2 . . 6.500 3.384 1.741 4.397 . 0 0 "[ . 1 . 2]" 1
123 1 11 ILE MG 1 60 PHE CZ . . 8.000 4.846 4.387 5.602 . 0 0 "[ . 1 . 2]" 1
124 1 11 ILE MG 1 60 PHE HZ . . 6.500 4.081 3.510 4.980 . 0 0 "[ . 1 . 2]" 1
125 1 11 ILE MG 1 79 LEU QD . . 8.900 5.347 5.145 5.478 . 0 0 "[ . 1 . 2]" 1
126 1 11 ILE O 1 15 ILE H . . 2.000 1.742 1.646 1.892 . 0 0 "[ . 1 . 2]" 1
127 1 11 ILE O 1 15 ILE N . . 3.000 2.707 2.602 2.834 . 0 0 "[ . 1 . 2]" 1
128 1 12 THR H 1 12 THR HA . . 2.800 2.765 2.703 2.812 0.012 14 0 "[ . 1 . 2]" 1
129 1 12 THR H 1 12 THR HG1 . . 5.000 2.876 2.016 3.653 . 0 0 "[ . 1 . 2]" 1
130 1 12 THR H 1 12 THR MG . . 4.500 3.668 3.630 3.676 . 0 0 "[ . 1 . 2]" 1
131 1 12 THR H 1 13 MET H . . 2.800 2.856 2.730 2.969 0.169 8 0 "[ . 1 . 2]" 1
132 1 12 THR H 1 14 ALA H . . 4.500 3.894 3.665 4.344 . 0 0 "[ . 1 . 2]" 1
133 1 12 THR HA 1 14 ALA H . . 5.000 4.174 3.882 4.544 . 0 0 "[ . 1 . 2]" 1
134 1 12 THR HA 1 15 ILE H . . 4.000 3.697 3.470 3.924 . 0 0 "[ . 1 . 2]" 1
135 1 12 THR HA 1 15 ILE HB . . 5.500 3.898 2.970 5.048 . 0 0 "[ . 1 . 2]" 1
136 1 12 THR HA 1 16 ARG H . . 5.000 3.988 3.709 4.200 . 0 0 "[ . 1 . 2]" 1
137 1 12 THR HB 1 13 MET H . . 4.500 2.646 2.456 3.033 . 0 0 "[ . 1 . 2]" 1
138 1 12 THR HG1 1 13 MET H . . 5.000 4.691 4.279 4.978 . 0 0 "[ . 1 . 2]" 1
139 1 12 THR MG 1 13 MET H . . 5.500 3.384 3.084 3.623 . 0 0 "[ . 1 . 2]" 1
140 1 12 THR O 1 16 ARG H . . 2.000 2.003 1.884 2.050 0.050 20 0 "[ . 1 . 2]" 1
141 1 12 THR O 1 16 ARG N . . 3.000 2.799 2.620 2.936 . 0 0 "[ . 1 . 2]" 1
142 1 13 MET H 1 13 MET ME . . 6.500 4.320 3.785 4.563 . 0 0 "[ . 1 . 2]" 1
143 1 13 MET H 1 14 ALA H . . 2.800 2.513 2.394 2.650 . 0 0 "[ . 1 . 2]" 1
144 1 13 MET H 1 15 ILE H . . 4.500 4.386 3.944 4.584 0.084 9 0 "[ . 1 . 2]" 1
145 1 13 MET H 1 16 ARG H . . 6.000 4.479 4.282 4.585 . 0 0 "[ . 1 . 2]" 1
146 1 13 MET H 1 16 ARG QB . . 6.500 4.160 3.997 4.368 . 0 0 "[ . 1 . 2]" 1
147 1 13 MET H 1 31 TYR CZ . . 7.500 6.572 5.793 7.322 . 0 0 "[ . 1 . 2]" 1
148 1 13 MET HA 1 14 ALA H . . 4.000 3.519 3.433 3.606 . 0 0 "[ . 1 . 2]" 1
149 1 13 MET HA 1 15 ILE H . . 5.000 4.631 4.295 5.012 0.012 10 0 "[ . 1 . 2]" 1
150 1 13 MET HA 1 16 ARG H . . 4.000 3.248 3.051 3.418 . 0 0 "[ . 1 . 2]" 1
151 1 13 MET HA 1 16 ARG HB2 . . 5.500 2.099 1.901 2.897 . 0 0 "[ . 1 . 2]" 1
152 1 13 MET HA 1 16 ARG HB3 . . 5.500 2.849 1.962 3.403 . 0 0 "[ . 1 . 2]" 1
153 1 13 MET HA 1 17 ASP H . . 5.000 4.900 4.564 5.070 0.070 6 0 "[ . 1 . 2]" 1
154 1 13 MET QB 1 14 ALA H . . 6.000 3.519 2.593 3.786 . 0 0 "[ . 1 . 2]" 1
155 1 13 MET ME 1 31 TYR CZ . . 6.500 2.711 2.568 2.870 . 0 0 "[ . 1 . 2]" 1
156 1 13 MET ME 1 31 TYR QB . . 7.500 5.406 5.000 5.574 . 0 0 "[ . 1 . 2]" 1
157 1 13 MET ME 1 32 LEU MD1 . . 6.500 3.092 2.233 4.623 . 0 0 "[ . 1 . 2]" 1
158 1 13 MET ME 1 32 LEU MD2 . . 6.500 3.923 2.399 4.502 . 0 0 "[ . 1 . 2]" 1
159 1 13 MET ME 1 36 PHE CG . . 8.500 4.790 3.700 6.391 . 0 0 "[ . 1 . 2]" 1
160 1 13 MET ME 1 36 PHE CZ . . 8.500 3.212 2.476 4.473 . 0 0 "[ . 1 . 2]" 1
161 1 13 MET ME 1 36 PHE HZ . . 6.500 2.887 1.964 4.238 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA H 1 15 ILE H . . 2.800 2.610 2.435 2.815 0.015 10 0 "[ . 1 . 2]" 1
163 1 14 ALA H 1 15 ILE MG . . 7.500 5.093 3.470 5.893 . 0 0 "[ . 1 . 2]" 1
164 1 14 ALA H 1 16 ARG H . . 4.500 3.571 3.335 3.739 . 0 0 "[ . 1 . 2]" 1
165 1 14 ALA H 1 17 ASP QB . . 6.500 5.725 5.428 5.921 . 0 0 "[ . 1 . 2]" 1
166 1 14 ALA H 1 31 TYR CG . . 7.500 7.341 6.355 7.547 0.047 3 0 "[ . 1 . 2]" 1
167 1 14 ALA H 1 31 TYR CZ . . 7.500 4.967 4.614 5.995 . 0 0 "[ . 1 . 2]" 1
168 1 14 ALA HA 1 15 ILE H . . 4.000 3.627 3.588 3.642 . 0 0 "[ . 1 . 2]" 1
169 1 14 ALA HA 1 16 ARG H . . 5.000 4.224 3.979 4.443 . 0 0 "[ . 1 . 2]" 1
170 1 14 ALA HA 1 17 ASP H . . 5.000 4.028 3.838 4.162 . 0 0 "[ . 1 . 2]" 1
171 1 14 ALA HA 1 17 ASP QB . . 6.000 3.760 3.418 4.032 . 0 0 "[ . 1 . 2]" 1
172 1 14 ALA HA 1 31 TYR CG . . 7.000 4.985 4.055 5.279 . 0 0 "[ . 1 . 2]" 1
173 1 14 ALA HA 1 31 TYR CZ . . 7.500 3.146 2.778 3.931 . 0 0 "[ . 1 . 2]" 1
174 1 14 ALA MB 1 15 ILE H . . 4.500 2.466 2.203 2.666 . 0 0 "[ . 1 . 2]" 1
175 1 14 ALA MB 1 16 ARG H . . 6.500 4.212 4.088 4.370 . 0 0 "[ . 1 . 2]" 1
176 1 14 ALA MB 1 31 TYR CG . . 8.500 4.871 4.351 5.538 . 0 0 "[ . 1 . 2]" 1
177 1 14 ALA MB 1 31 TYR CZ . . 8.500 3.432 2.594 4.483 . 0 0 "[ . 1 . 2]" 1
178 1 15 ILE H 1 15 ILE HA . . 3.000 2.842 2.791 2.874 . 0 0 "[ . 1 . 2]" 1
179 1 15 ILE H 1 15 ILE HB . . 3.000 2.554 2.078 2.748 . 0 0 "[ . 1 . 2]" 1
180 1 15 ILE H 1 16 ARG H . . 2.800 2.465 2.339 2.625 . 0 0 "[ . 1 . 2]" 1
181 1 15 ILE H 1 17 ASP H . . 4.500 4.079 3.969 4.155 . 0 0 "[ . 1 . 2]" 1
182 1 15 ILE H 1 18 SER H . . 6.000 5.735 5.318 6.008 0.008 6 0 "[ . 1 . 2]" 1
183 1 15 ILE H 1 18 SER QB . . 8.000 6.668 5.722 7.057 . 0 0 "[ . 1 . 2]" 1
184 1 15 ILE H 1 23 LEU QD . . 7.400 3.849 3.589 4.033 . 0 0 "[ . 1 . 2]" 1
185 1 15 ILE H 1 31 TYR CG . . 8.500 8.455 7.646 8.638 0.138 3 0 "[ . 1 . 2]" 1
186 1 15 ILE H 1 54 LEU QD . . 8.900 3.681 2.838 4.385 . 0 0 "[ . 1 . 2]" 1
187 1 15 ILE H 1 79 LEU QD . . 8.900 5.067 4.569 5.348 . 0 0 "[ . 1 . 2]" 1
188 1 15 ILE HA 1 16 ARG H . . 4.000 3.530 3.471 3.573 . 0 0 "[ . 1 . 2]" 1
189 1 15 ILE HA 1 18 SER H . . 5.000 3.865 3.316 4.347 . 0 0 "[ . 1 . 2]" 1
190 1 15 ILE HB 1 16 ARG H . . 5.000 3.427 2.868 4.282 . 0 0 "[ . 1 . 2]" 1
191 1 15 ILE HB 1 25 LEU QD . . 7.900 4.866 3.083 5.998 . 0 0 "[ . 1 . 2]" 1
192 1 15 ILE HB 1 54 LEU MD1 . . 6.500 4.231 2.036 5.398 . 0 0 "[ . 1 . 2]" 1
193 1 15 ILE HB 1 54 LEU MD2 . . 6.500 4.097 1.794 5.339 . 0 0 "[ . 1 . 2]" 1
194 1 15 ILE HB 1 60 PHE CG . . 7.500 6.791 6.219 7.479 . 0 0 "[ . 1 . 2]" 1
195 1 15 ILE HB 1 60 PHE CZ . . 7.500 5.163 4.219 6.192 . 0 0 "[ . 1 . 2]" 1
196 1 15 ILE MD 1 18 SER H . . 6.500 5.067 3.948 5.329 . 0 0 "[ . 1 . 2]" 1
197 1 15 ILE MD 1 23 LEU MD1 . . 6.500 2.116 1.675 3.395 . 0 0 "[ . 1 . 2]" 1
198 1 15 ILE MD 1 23 LEU MD2 . . 6.500 2.227 1.745 3.278 . 0 0 "[ . 1 . 2]" 1
199 1 15 ILE MD 1 25 LEU MD1 . . 6.500 3.205 2.573 4.342 . 0 0 "[ . 1 . 2]" 1
200 1 15 ILE MD 1 25 LEU MD2 . . 6.500 2.770 2.107 3.568 . 0 0 "[ . 1 . 2]" 1
201 1 15 ILE MD 1 25 LEU HG . . 6.500 4.736 4.039 5.313 . 0 0 "[ . 1 . 2]" 1
202 1 15 ILE MD 1 54 LEU MD1 . . 7.500 2.289 1.683 3.668 . 0 0 "[ . 1 . 2]" 1
203 1 15 ILE MD 1 54 LEU MD2 . . 7.500 1.906 1.697 3.319 . 0 0 "[ . 1 . 2]" 1
204 1 15 ILE MD 1 58 ASP HB2 . . 5.500 4.302 3.873 4.669 . 0 0 "[ . 1 . 2]" 1
205 1 15 ILE MD 1 58 ASP HB3 . . 6.500 5.062 4.191 5.432 . 0 0 "[ . 1 . 2]" 1
206 1 15 ILE MD 1 60 PHE CG . . 7.500 4.373 3.245 5.581 . 0 0 "[ . 1 . 2]" 1
207 1 15 ILE MD 1 60 PHE CZ . . 6.500 2.773 2.200 3.537 . 0 0 "[ . 1 . 2]" 1
208 1 15 ILE MD 1 79 LEU QD . . 8.000 2.677 1.500 3.960 . 0 0 "[ . 1 . 2]" 1
209 1 15 ILE QG 1 58 ASP QB . . 7.500 3.576 2.881 4.533 . 0 0 "[ . 1 . 2]" 1
210 1 15 ILE QG 1 60 PHE CG . . 7.000 5.269 4.012 6.078 . 0 0 "[ . 1 . 2]" 1
211 1 15 ILE QG 1 60 PHE CZ . . 6.500 3.609 3.024 4.555 . 0 0 "[ . 1 . 2]" 1
212 1 15 ILE HG12 1 60 PHE CZ . . 7.500 4.757 3.387 5.719 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE HG13 1 60 PHE CZ . . 7.500 4.033 3.071 5.554 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE MG 1 23 LEU MD1 . . 6.500 3.209 1.905 4.540 . 0 0 "[ . 1 . 2]" 1
215 1 15 ILE MG 1 23 LEU MD2 . . 6.500 3.086 1.821 4.390 . 0 0 "[ . 1 . 2]" 1
216 1 15 ILE MG 1 25 LEU MD1 . . 7.500 4.955 4.609 5.138 . 0 0 "[ . 1 . 2]" 1
217 1 15 ILE MG 1 25 LEU MD2 . . 6.500 4.344 3.884 4.542 . 0 0 "[ . 1 . 2]" 1
218 1 15 ILE MG 1 54 LEU MD1 . . 7.500 4.031 2.094 4.565 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE MG 1 54 LEU MD2 . . 7.500 3.066 1.750 3.835 . 0 0 "[ . 1 . 2]" 1
220 1 15 ILE MG 1 54 LEU HG . . 6.500 3.825 2.669 4.657 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE MG 1 60 PHE CZ . . 8.000 3.640 2.898 4.940 . 0 0 "[ . 1 . 2]" 1
222 1 15 ILE MG 1 79 LEU QD . . 6.500 2.089 1.554 3.564 . 0 0 "[ . 1 . 2]" 1
223 1 16 ARG H 1 17 ASP H . . 2.800 2.750 2.630 2.841 0.041 20 0 "[ . 1 . 2]" 1
224 1 16 ARG H 1 18 SER H . . 4.500 4.418 4.245 4.541 0.041 20 0 "[ . 1 . 2]" 1
225 1 16 ARG H 1 18 SER HG . . 6.500 5.670 5.258 5.933 . 0 0 "[ . 1 . 2]" 1
226 1 16 ARG H 1 31 TYR CZ . . 8.500 7.058 6.543 7.874 . 0 0 "[ . 1 . 2]" 1
227 1 16 ARG H 1 79 LEU QD . . 8.900 4.874 4.122 5.222 . 0 0 "[ . 1 . 2]" 1
228 1 16 ARG HA 1 18 SER H . . 5.000 3.504 3.102 3.861 . 0 0 "[ . 1 . 2]" 1
229 1 16 ARG QB 1 17 ASP H . . 5.500 3.167 2.991 3.419 . 0 0 "[ . 1 . 2]" 1
230 1 16 ARG QG 1 17 ASP H . . 5.500 4.538 4.171 4.707 . 0 0 "[ . 1 . 2]" 1
231 1 17 ASP H 1 17 ASP HB2 . . 3.500 2.329 2.103 2.569 . 0 0 "[ . 1 . 2]" 1
232 1 17 ASP H 1 17 ASP HB3 . . 3.500 2.622 2.346 2.950 . 0 0 "[ . 1 . 2]" 1
233 1 17 ASP H 1 18 SER H . . 2.800 2.696 2.455 2.818 0.018 17 0 "[ . 1 . 2]" 1
234 1 17 ASP H 1 18 SER HB2 . . 6.500 6.082 5.456 6.393 . 0 0 "[ . 1 . 2]" 1
235 1 17 ASP H 1 18 SER HB3 . . 6.500 4.933 4.171 6.319 . 0 0 "[ . 1 . 2]" 1
236 1 17 ASP H 1 18 SER HG . . 5.000 5.036 4.919 5.096 0.096 5 0 "[ . 1 . 2]" 1
237 1 17 ASP H 1 23 LEU QD . . 7.400 3.446 2.499 4.229 . 0 0 "[ . 1 . 2]" 1
238 1 17 ASP H 1 31 TYR CG . . 8.500 7.921 6.999 8.451 . 0 0 "[ . 1 . 2]" 1
239 1 17 ASP HA 1 18 SER H . . 5.000 3.518 3.262 3.603 . 0 0 "[ . 1 . 2]" 1
240 1 17 ASP QB 1 23 LEU QD . . 7.900 2.549 1.851 3.403 . 0 0 "[ . 1 . 2]" 1
241 1 17 ASP QB 1 28 ILE MD . . 7.500 2.163 1.803 4.013 . 0 0 "[ . 1 . 2]" 1
242 1 17 ASP QB 1 31 TYR CZ . . 7.500 5.488 4.792 5.901 . 0 0 "[ . 1 . 2]" 1
243 1 17 ASP QB 1 54 LEU QD . . 8.900 5.841 5.549 5.984 . 0 0 "[ . 1 . 2]" 1
244 1 17 ASP HB2 1 18 SER H . . 4.500 3.979 3.714 4.359 . 0 0 "[ . 1 . 2]" 1
245 1 17 ASP HB3 1 18 SER H . . 4.500 2.978 2.627 3.680 . 0 0 "[ . 1 . 2]" 1
246 1 18 SER H 1 18 SER HG . . 4.000 2.819 2.546 3.045 . 0 0 "[ . 1 . 2]" 1
247 1 18 SER H 1 19 ALA H . . 4.000 3.671 2.256 4.199 0.199 7 0 "[ . 1 . 2]" 1
248 1 18 SER H 1 20 GLY H . . 5.000 4.786 4.132 5.009 0.009 18 0 "[ . 1 . 2]" 1
249 1 18 SER H 1 23 LEU MD1 . . 6.500 3.701 2.495 5.537 . 0 0 "[ . 1 . 2]" 1
250 1 18 SER H 1 23 LEU MD2 . . 6.500 4.584 2.803 5.450 . 0 0 "[ . 1 . 2]" 1
251 1 18 SER HA 1 19 ALA H . . 4.000 3.274 3.071 3.648 . 0 0 "[ . 1 . 2]" 1
252 1 18 SER HA 1 21 GLY H . . 5.000 5.003 4.568 5.216 0.216 6 0 "[ . 1 . 2]" 1
253 1 18 SER HA 1 79 LEU QD . . 7.900 4.434 3.775 4.877 . 0 0 "[ . 1 . 2]" 1
254 1 18 SER QB 1 23 LEU QB . . 7.500 1.999 1.766 3.103 . 0 0 "[ . 1 . 2]" 1
255 1 18 SER QB 1 23 LEU HG . . 6.500 4.253 1.845 5.819 . 0 0 "[ . 1 . 2]" 1
256 1 18 SER QB 1 79 LEU QD . . 8.900 2.410 1.802 2.863 . 0 0 "[ . 1 . 2]" 1
257 1 18 SER HB2 1 19 ALA H . . 4.500 2.554 1.918 4.097 . 0 0 "[ . 1 . 2]" 1
258 1 18 SER HB2 1 20 GLY H . . 4.500 3.512 2.376 4.517 0.017 15 0 "[ . 1 . 2]" 1
259 1 18 SER HB2 1 21 GLY H . . 5.500 3.045 2.283 3.467 . 0 0 "[ . 1 . 2]" 1
260 1 18 SER HB2 1 22 ARG H . . 5.000 2.713 2.081 4.026 . 0 0 "[ . 1 . 2]" 1
261 1 18 SER HB2 1 23 LEU MD1 . . 6.500 4.577 3.073 5.467 . 0 0 "[ . 1 . 2]" 1
262 1 18 SER HB2 1 23 LEU MD2 . . 6.500 4.630 2.960 5.442 . 0 0 "[ . 1 . 2]" 1
263 1 18 SER HB3 1 19 ALA H . . 4.500 3.289 2.207 3.838 . 0 0 "[ . 1 . 2]" 1
264 1 18 SER HB3 1 20 GLY H . . 4.500 4.227 3.455 4.556 0.056 20 0 "[ . 1 . 2]" 1
265 1 18 SER HB3 1 21 GLY H . . 5.500 4.161 3.063 4.405 . 0 0 "[ . 1 . 2]" 1
266 1 18 SER HB3 1 22 ARG H . . 5.000 3.811 2.620 4.581 . 0 0 "[ . 1 . 2]" 1
267 1 18 SER HB3 1 23 LEU MD1 . . 6.500 3.519 1.935 5.084 . 0 0 "[ . 1 . 2]" 1
268 1 18 SER HB3 1 23 LEU MD2 . . 6.500 3.759 2.179 5.079 . 0 0 "[ . 1 . 2]" 1
269 1 18 SER HG 1 19 ALA H . . 5.500 2.876 1.902 4.016 . 0 0 "[ . 1 . 2]" 1
270 1 18 SER HG 1 20 GLY H . . 4.500 2.904 1.932 4.273 . 0 0 "[ . 1 . 2]" 1
271 1 18 SER HG 1 21 GLY H . . 4.500 3.731 3.014 4.534 0.034 16 0 "[ . 1 . 2]" 1
272 1 18 SER HG 1 22 ARG H . . 4.500 4.555 4.402 4.612 0.112 1 0 "[ . 1 . 2]" 1
273 1 19 ALA H 1 20 GLY H . . 4.000 2.021 1.869 2.379 . 0 0 "[ . 1 . 2]" 1
274 1 19 ALA H 1 21 GLY H . . 4.000 3.083 2.553 4.159 0.159 4 0 "[ . 1 . 2]" 1
275 1 19 ALA HA 1 20 GLY H . . 4.000 2.906 2.730 3.057 . 0 0 "[ . 1 . 2]" 1
276 1 19 ALA HA 1 21 GLY H . . 5.000 4.939 4.753 5.154 0.154 20 0 "[ . 1 . 2]" 1
277 1 19 ALA MB 1 20 GLY H . . 5.500 3.721 3.639 3.782 . 0 0 "[ . 1 . 2]" 1
278 1 19 ALA MB 1 21 GLY H . . 6.500 4.406 3.955 4.748 . 0 0 "[ . 1 . 2]" 1
279 1 19 ALA MB 1 22 ARG H . . 6.500 4.914 4.064 5.226 . 0 0 "[ . 1 . 2]" 1
280 1 20 GLY H 1 21 GLY H . . 4.500 2.538 2.178 2.999 . 0 0 "[ . 1 . 2]" 1
281 1 20 GLY H 1 22 ARG H . . 6.000 4.586 4.286 5.137 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLY QA 1 22 ARG H . . 5.500 4.999 4.920 5.140 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLY HA2 1 21 GLY H . . 4.000 2.826 2.655 2.910 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLY HA2 1 80 ASN HA . . 5.000 2.512 2.162 2.947 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLY HA3 1 21 GLY H . . 4.000 3.628 3.612 3.645 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLY HA3 1 80 ASN HA . . 5.000 2.954 2.500 3.478 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLY H 1 22 ARG H . . 4.500 2.529 2.413 2.769 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLY H 1 79 LEU H . . 4.000 3.717 3.274 4.002 0.002 5 0 "[ . 1 . 2]" 1
289 1 21 GLY H 1 79 LEU QB . . 6.500 4.756 4.300 5.186 . 0 0 "[ . 1 . 2]" 1
290 1 21 GLY H 1 79 LEU QD . . 7.900 3.136 2.237 3.693 . 0 0 "[ . 1 . 2]" 1
291 1 21 GLY H 1 80 ASN HA . . 4.000 4.101 4.063 4.159 0.159 10 0 "[ . 1 . 2]" 1
292 1 21 GLY H 1 80 ASN QB . . 5.500 4.794 4.597 4.943 . 0 0 "[ . 1 . 2]" 1
293 1 21 GLY QA 1 79 LEU H . . 6.500 4.004 3.740 4.234 . 0 0 "[ . 1 . 2]" 1
294 1 21 GLY HA2 1 22 ARG H . . 4.000 3.629 3.609 3.638 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLY HA3 1 22 ARG H . . 4.000 2.517 2.437 2.570 . 0 0 "[ . 1 . 2]" 1
296 1 22 ARG H 1 23 LEU H . . 4.500 4.313 4.128 4.363 . 0 0 "[ . 1 . 2]" 1
297 1 22 ARG H 1 76 TYR CG . . 8.500 8.592 8.513 8.645 0.145 20 0 "[ . 1 . 2]" 1
298 1 22 ARG HA 1 23 LEU H . . 2.500 2.430 2.258 2.517 0.017 19 0 "[ . 1 . 2]" 1
299 1 22 ARG HA 1 78 MET HA . . 3.000 1.966 1.846 2.089 . 0 0 "[ . 1 . 2]" 1
300 1 22 ARG HA 1 78 MET QB . . 4.500 3.867 3.666 4.109 . 0 0 "[ . 1 . 2]" 1
301 1 22 ARG HA 1 79 LEU H . . 4.000 2.355 2.038 2.585 . 0 0 "[ . 1 . 2]" 1
302 1 22 ARG QB 1 23 LEU H . . 4.500 2.663 2.439 3.168 . 0 0 "[ . 1 . 2]" 1
303 1 22 ARG QB 1 78 MET HA . . 4.500 2.715 1.907 3.099 . 0 0 "[ . 1 . 2]" 1
304 1 22 ARG QB 1 78 MET QB . . 4.500 3.223 2.322 3.707 . 0 0 "[ . 1 . 2]" 1
305 1 22 ARG QB 1 78 MET QG . . 6.500 3.665 1.888 5.243 . 0 0 "[ . 1 . 2]" 1
306 1 22 ARG QB 1 79 LEU H . . 4.500 3.912 3.258 4.131 . 0 0 "[ . 1 . 2]" 1
307 1 22 ARG QG 1 23 LEU H . . 6.500 3.829 3.239 4.337 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU H 1 77 TRP H . . 3.500 2.794 2.545 3.217 . 0 0 "[ . 1 . 2]" 1
309 1 23 LEU H 1 77 TRP HB2 . . 6.500 3.701 3.130 4.086 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU H 1 77 TRP HB3 . . 6.500 4.816 4.080 5.290 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU H 1 77 TRP HD1 . . 6.500 5.700 5.360 6.153 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU H 1 77 TRP O . . 2.000 1.816 1.601 1.951 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU H 1 78 MET HA . . 4.000 3.454 3.090 3.699 . 0 0 "[ . 1 . 2]" 1
314 1 23 LEU H 1 78 MET QB . . 5.500 4.941 4.824 5.217 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU H 1 78 MET QG . . 6.500 5.575 4.302 5.841 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU HA 1 24 THR H . . 2.500 2.441 2.202 2.573 0.073 2 0 "[ . 1 . 2]" 1
317 1 23 LEU HA 1 76 TYR CG . . 7.500 6.369 5.462 7.229 . 0 0 "[ . 1 . 2]" 1
318 1 23 LEU QB 1 24 THR H . . 4.500 2.945 2.297 3.790 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU QD 1 25 LEU QD . . 6.900 1.842 1.633 2.180 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU QD 1 28 ILE MD . . 7.900 1.862 1.633 2.179 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU QD 1 31 TYR CZ . . 9.400 6.496 5.995 6.736 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU QD 1 54 LEU QD . . 8.900 2.681 1.790 3.277 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU QD 1 54 LEU HG . . 7.500 4.514 3.550 5.506 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU QD 1 60 PHE CZ . . 9.400 4.230 3.507 5.022 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU QD 1 77 TRP H . . 7.900 2.857 2.077 3.548 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU QD 1 77 TRP HD1 . . 7.900 4.425 3.671 4.958 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU QD 1 77 TRP HE1 . . 7.900 5.430 4.682 5.876 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU MD1 1 24 THR H . . 6.500 3.428 2.696 4.089 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU MD1 1 79 LEU MD1 . . 6.500 3.987 3.056 4.427 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU MD1 1 79 LEU MD2 . . 6.500 3.020 1.760 3.969 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU MD2 1 24 THR H . . 6.500 3.562 1.917 4.555 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU MD2 1 79 LEU MD1 . . 6.500 3.803 2.926 4.523 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU MD2 1 79 LEU MD2 . . 6.500 2.465 1.610 3.935 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU HG 1 54 LEU QD . . 8.900 4.474 2.930 5.662 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU N 1 77 TRP O . . 3.000 2.736 2.545 2.859 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU O 1 77 TRP H . . 2.000 1.638 1.462 1.834 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU O 1 77 TRP N . . 3.000 2.550 2.421 2.727 . 0 0 "[ . 1 . 2]" 1
338 1 24 THR H 1 25 LEU H . . 4.500 4.256 3.852 4.481 . 0 0 "[ . 1 . 2]" 1
339 1 24 THR H 1 27 GLU H . . 6.000 4.707 4.285 5.040 . 0 0 "[ . 1 . 2]" 1
340 1 24 THR H 1 76 TYR CG . . 7.500 6.374 5.576 7.075 . 0 0 "[ . 1 . 2]" 1
341 1 24 THR HA 1 25 LEU H . . 4.000 2.167 2.149 2.241 . 0 0 "[ . 1 . 2]" 1
342 1 24 THR HA 1 76 TYR HA . . 3.000 1.994 1.846 2.434 . 0 0 "[ . 1 . 2]" 1
343 1 24 THR HA 1 76 TYR QB . . 5.500 3.003 1.938 4.704 . 0 0 "[ . 1 . 2]" 1
344 1 24 THR HA 1 77 TRP H . . 4.000 3.107 2.769 3.372 . 0 0 "[ . 1 . 2]" 1
345 1 24 THR HA 1 77 TRP HD1 . . 6.500 4.565 3.540 5.357 . 0 0 "[ . 1 . 2]" 1
346 1 24 THR HB 1 76 TYR CG . . 8.000 5.036 4.145 5.633 . 0 0 "[ . 1 . 2]" 1
347 1 24 THR HB 1 76 TYR CZ . . 8.000 6.943 4.711 8.039 0.039 20 0 "[ . 1 . 2]" 1
348 1 24 THR HB 1 76 TYR HA . . 5.500 3.662 3.189 3.906 . 0 0 "[ . 1 . 2]" 1
349 1 24 THR HB 1 76 TYR QB . . 5.500 3.566 2.241 4.978 . 0 0 "[ . 1 . 2]" 1
350 1 24 THR HB 1 77 TRP H . . 5.500 5.341 4.728 5.627 0.127 8 0 "[ . 1 . 2]" 1
351 1 24 THR MG 1 25 LEU H . . 6.500 4.390 4.254 4.480 . 0 0 "[ . 1 . 2]" 1
352 1 24 THR MG 1 76 TYR CG . . 8.000 3.826 2.859 5.291 . 0 0 "[ . 1 . 2]" 1
353 1 24 THR MG 1 76 TYR CZ . . 8.500 5.232 2.464 7.059 . 0 0 "[ . 1 . 2]" 1
354 1 24 THR MG 1 76 TYR HA . . 6.500 3.529 2.699 4.702 . 0 0 "[ . 1 . 2]" 1
355 1 24 THR MG 1 76 TYR HB2 . . 6.500 3.498 2.307 4.940 . 0 0 "[ . 1 . 2]" 1
356 1 24 THR MG 1 76 TYR HB3 . . 6.500 2.959 2.000 4.941 . 0 0 "[ . 1 . 2]" 1
357 1 24 THR MG 1 77 TRP H . . 6.500 4.303 3.740 5.461 . 0 0 "[ . 1 . 2]" 1
358 1 25 LEU H 1 26 ALA H . . 2.800 2.613 2.397 2.828 0.028 20 0 "[ . 1 . 2]" 1
359 1 25 LEU H 1 26 ALA MB . . 6.500 4.151 3.956 4.426 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU H 1 27 GLU H . . 4.500 4.517 4.329 4.583 0.083 19 0 "[ . 1 . 2]" 1
361 1 25 LEU H 1 28 ILE H . . 6.000 4.653 4.488 4.773 . 0 0 "[ . 1 . 2]" 1
362 1 25 LEU H 1 28 ILE MG . . 6.500 5.118 4.792 5.486 . 0 0 "[ . 1 . 2]" 1
363 1 25 LEU H 1 54 LEU QD . . 8.900 4.939 4.530 5.544 . 0 0 "[ . 1 . 2]" 1
364 1 25 LEU H 1 75 ASN QB . . 6.500 4.840 2.521 5.427 . 0 0 "[ . 1 . 2]" 1
365 1 25 LEU H 1 76 TYR H . . 6.000 5.091 4.631 5.412 . 0 0 "[ . 1 . 2]" 1
366 1 25 LEU H 1 77 TRP H . . 6.000 3.642 3.247 3.970 . 0 0 "[ . 1 . 2]" 1
367 1 25 LEU H 1 77 TRP HD1 . . 5.500 3.920 2.751 4.677 . 0 0 "[ . 1 . 2]" 1
368 1 25 LEU H 1 77 TRP HE1 . . 5.000 4.423 3.895 4.808 . 0 0 "[ . 1 . 2]" 1
369 1 25 LEU H 1 77 TRP HZ2 . . 6.000 5.917 5.603 6.109 0.109 9 0 "[ . 1 . 2]" 1
370 1 25 LEU HA 1 26 ALA H . . 4.000 3.525 3.483 3.571 . 0 0 "[ . 1 . 2]" 1
371 1 25 LEU HA 1 27 GLU H . . 5.000 4.466 4.147 4.732 . 0 0 "[ . 1 . 2]" 1
372 1 25 LEU HA 1 28 ILE H . . 4.000 3.132 2.871 3.310 . 0 0 "[ . 1 . 2]" 1
373 1 25 LEU HA 1 29 ASN H . . 5.500 3.686 3.344 4.179 . 0 0 "[ . 1 . 2]" 1
374 1 25 LEU HA 1 54 LEU QD . . 7.900 3.835 3.471 4.316 . 0 0 "[ . 1 . 2]" 1
375 1 25 LEU QB 1 54 LEU QD . . 8.900 3.742 3.550 4.135 . 0 0 "[ . 1 . 2]" 1
376 1 25 LEU QB 1 75 ASN QB . . 6.500 4.468 2.095 5.182 . 0 0 "[ . 1 . 2]" 1
377 1 25 LEU QB 1 75 ASN HD21 . . 6.500 4.187 3.082 5.762 . 0 0 "[ . 1 . 2]" 1
378 1 25 LEU QB 1 75 ASN HD22 . . 6.500 4.011 2.876 5.617 . 0 0 "[ . 1 . 2]" 1
379 1 25 LEU QB 1 77 TRP HE3 . . 6.500 5.292 4.700 5.815 . 0 0 "[ . 1 . 2]" 1
380 1 25 LEU HB2 1 26 ALA H . . 5.500 3.321 3.162 3.535 . 0 0 "[ . 1 . 2]" 1
381 1 25 LEU HB2 1 28 ILE MG . . 6.500 4.893 4.588 5.168 . 0 0 "[ . 1 . 2]" 1
382 1 25 LEU HB2 1 77 TRP HE1 . . 5.500 3.152 2.553 3.537 . 0 0 "[ . 1 . 2]" 1
383 1 25 LEU HB2 1 77 TRP HH2 . . 5.500 5.533 5.041 5.652 0.152 18 0 "[ . 1 . 2]" 1
384 1 25 LEU HB2 1 77 TRP HZ2 . . 4.500 4.049 3.850 4.201 . 0 0 "[ . 1 . 2]" 1
385 1 25 LEU HB3 1 26 ALA H . . 5.500 3.577 3.199 3.944 . 0 0 "[ . 1 . 2]" 1
386 1 25 LEU HB3 1 28 ILE MG . . 6.500 4.058 3.663 4.453 . 0 0 "[ . 1 . 2]" 1
387 1 25 LEU HB3 1 77 TRP HE1 . . 5.500 4.205 3.081 4.810 . 0 0 "[ . 1 . 2]" 1
388 1 25 LEU HB3 1 77 TRP HH2 . . 5.500 5.400 4.633 5.604 0.104 1 0 "[ . 1 . 2]" 1
389 1 25 LEU HB3 1 77 TRP HZ2 . . 4.500 4.153 3.680 4.432 . 0 0 "[ . 1 . 2]" 1
390 1 25 LEU QD 1 26 ALA H . . 7.500 4.052 3.879 4.120 . 0 0 "[ . 1 . 2]" 1
391 1 25 LEU QD 1 28 ILE MD . . 7.900 3.515 1.597 4.178 . 0 0 "[ . 1 . 2]" 1
392 1 25 LEU QD 1 28 ILE QG . . 7.900 3.164 2.533 3.579 . 0 0 "[ . 1 . 2]" 1
393 1 25 LEU QD 1 28 ILE MG . . 7.900 2.015 1.813 2.455 . 0 0 "[ . 1 . 2]" 1
394 1 25 LEU QD 1 29 ASN QB . . 7.900 3.926 3.308 4.543 . 0 0 "[ . 1 . 2]" 1
395 1 25 LEU QD 1 51 ARG H . . 6.900 4.687 4.525 4.918 . 0 0 "[ . 1 . 2]" 1
396 1 25 LEU QD 1 54 LEU QD . . 7.000 1.550 1.448 1.730 . 0 0 "[ . 1 . 2]" 1
397 1 25 LEU QD 1 54 LEU HG . . 7.900 3.497 3.127 3.880 . 0 0 "[ . 1 . 2]" 1
398 1 25 LEU QD 1 75 ASN H . . 7.900 5.869 5.748 5.984 . 0 0 "[ . 1 . 2]" 1
399 1 25 LEU QD 1 77 TRP HD1 . . 6.400 3.409 3.004 4.626 . 0 0 "[ . 1 . 2]" 1
400 1 25 LEU QD 1 77 TRP HE1 . . 7.400 3.582 2.971 4.358 . 0 0 "[ . 1 . 2]" 1
401 1 25 LEU QD 1 77 TRP HZ3 . . 7.400 3.117 2.770 3.274 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU MD1 1 26 ALA H . . 6.000 4.692 4.405 4.911 . 0 0 "[ . 1 . 2]" 1
403 1 25 LEU MD1 1 77 TRP HH2 . . 6.000 3.694 2.346 4.359 . 0 0 "[ . 1 . 2]" 1
404 1 25 LEU MD1 1 77 TRP HZ2 . . 5.500 4.053 3.300 4.378 . 0 0 "[ . 1 . 2]" 1
405 1 25 LEU MD2 1 26 ALA H . . 6.000 4.458 4.085 4.770 . 0 0 "[ . 1 . 2]" 1
406 1 25 LEU MD2 1 77 TRP HH2 . . 6.000 3.983 3.602 4.190 . 0 0 "[ . 1 . 2]" 1
407 1 25 LEU MD2 1 77 TRP HZ2 . . 5.500 3.930 3.530 4.598 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU HG 1 26 ALA H . . 5.500 5.503 5.385 5.602 0.102 9 0 "[ . 1 . 2]" 1
409 1 25 LEU HG 1 54 LEU QD . . 7.900 2.593 2.260 3.017 . 0 0 "[ . 1 . 2]" 1
410 1 25 LEU HG 1 77 TRP HD1 . . 5.500 4.934 4.670 5.168 . 0 0 "[ . 1 . 2]" 1
411 1 25 LEU O 1 29 ASN H . . 2.000 1.841 1.758 2.037 0.037 4 0 "[ . 1 . 2]" 1
412 1 25 LEU O 1 29 ASN N . . 3.000 2.779 2.662 2.989 . 0 0 "[ . 1 . 2]" 1
413 1 26 ALA H 1 27 GLU H . . 2.800 2.757 2.671 2.850 0.050 14 0 "[ . 1 . 2]" 1
414 1 26 ALA H 1 28 ILE H . . 4.500 3.867 3.723 4.078 . 0 0 "[ . 1 . 2]" 1
415 1 26 ALA H 1 29 ASN H . . 6.000 4.668 4.430 5.021 . 0 0 "[ . 1 . 2]" 1
416 1 26 ALA H 1 29 ASN QB . . 6.500 5.020 4.546 5.474 . 0 0 "[ . 1 . 2]" 1
417 1 26 ALA H 1 77 TRP HD1 . . 6.500 5.888 4.680 6.534 0.034 5 0 "[ . 1 . 2]" 1
418 1 26 ALA H 1 77 TRP HE1 . . 7.500 5.697 4.781 6.134 . 0 0 "[ . 1 . 2]" 1
419 1 26 ALA HA 1 27 GLU H . . 4.000 3.630 3.616 3.640 . 0 0 "[ . 1 . 2]" 1
420 1 26 ALA HA 1 28 ILE H . . 5.000 4.468 4.157 4.688 . 0 0 "[ . 1 . 2]" 1
421 1 26 ALA HA 1 29 ASN H . . 4.000 3.744 3.386 3.954 . 0 0 "[ . 1 . 2]" 1
422 1 26 ALA HA 1 29 ASN QB . . 6.000 3.112 2.633 3.388 . 0 0 "[ . 1 . 2]" 1
423 1 26 ALA HA 1 30 GLU H . . 5.000 4.221 4.025 4.353 . 0 0 "[ . 1 . 2]" 1
424 1 26 ALA MB 1 27 GLU H . . 5.500 2.502 2.287 2.653 . 0 0 "[ . 1 . 2]" 1
425 1 26 ALA MB 1 73 LYS H . . 6.500 4.837 2.094 5.508 . 0 0 "[ . 1 . 2]" 1
426 1 26 ALA MB 1 74 ASP H . . 7.500 3.990 2.693 5.038 . 0 0 "[ . 1 . 2]" 1
427 1 26 ALA O 1 30 GLU H . . 2.000 2.061 2.017 2.097 0.097 13 0 "[ . 1 . 2]" 1
428 1 26 ALA O 1 30 GLU N . . 3.000 2.916 2.789 3.060 0.060 13 0 "[ . 1 . 2]" 1
429 1 27 GLU H 1 28 ILE H . . 2.800 2.551 2.445 2.683 . 0 0 "[ . 1 . 2]" 1
430 1 27 GLU H 1 29 ASN H . . 4.500 4.281 3.890 4.608 0.108 12 0 "[ . 1 . 2]" 1
431 1 27 GLU H 1 29 ASN QB . . 6.500 5.175 4.662 5.548 . 0 0 "[ . 1 . 2]" 1
432 1 27 GLU H 1 30 GLU H . . 6.000 4.553 4.345 4.905 . 0 0 "[ . 1 . 2]" 1
433 1 27 GLU H 1 30 GLU QB . . 6.500 4.431 4.110 5.172 . 0 0 "[ . 1 . 2]" 1
434 1 27 GLU H 1 31 TYR H . . 6.000 6.011 5.855 6.106 0.106 6 0 "[ . 1 . 2]" 1
435 1 27 GLU HA 1 28 ILE H . . 5.000 3.577 3.530 3.616 . 0 0 "[ . 1 . 2]" 1
436 1 27 GLU HA 1 29 ASN H . . 5.000 4.468 3.910 4.894 . 0 0 "[ . 1 . 2]" 1
437 1 27 GLU HA 1 30 GLU H . . 4.000 3.173 3.032 3.401 . 0 0 "[ . 1 . 2]" 1
438 1 27 GLU HA 1 30 GLU QB . . 6.500 2.210 1.917 2.941 . 0 0 "[ . 1 . 2]" 1
439 1 27 GLU HA 1 31 TYR H . . 5.000 4.063 3.952 4.311 . 0 0 "[ . 1 . 2]" 1
440 1 27 GLU O 1 31 TYR H . . 2.000 1.976 1.812 2.025 0.025 16 0 "[ . 1 . 2]" 1
441 1 27 GLU O 1 31 TYR N . . 3.000 2.865 2.645 2.968 . 0 0 "[ . 1 . 2]" 1
442 1 28 ILE H 1 28 ILE HB . . 3.500 2.012 1.978 2.061 . 0 0 "[ . 1 . 2]" 1
443 1 28 ILE H 1 28 ILE MD . . 4.500 2.458 1.923 3.689 . 0 0 "[ . 1 . 2]" 1
444 1 28 ILE H 1 28 ILE MG . . 4.500 3.379 3.238 3.499 . 0 0 "[ . 1 . 2]" 1
445 1 28 ILE H 1 29 ASN H . . 2.800 2.757 2.544 2.862 0.062 17 0 "[ . 1 . 2]" 1
446 1 28 ILE H 1 30 GLU H . . 4.500 3.905 3.631 4.500 0.000 7 0 "[ . 1 . 2]" 1
447 1 28 ILE H 1 31 TYR H . . 6.000 4.761 4.442 4.928 . 0 0 "[ . 1 . 2]" 1
448 1 28 ILE H 1 31 TYR QB . . 6.500 5.090 4.085 5.591 . 0 0 "[ . 1 . 2]" 1
449 1 28 ILE H 1 32 LEU H . . 6.000 5.884 5.690 6.016 0.016 16 0 "[ . 1 . 2]" 1
450 1 28 ILE HA 1 29 ASN H . . 4.000 3.613 3.546 3.639 . 0 0 "[ . 1 . 2]" 1
451 1 28 ILE HA 1 30 GLU H . . 5.000 4.353 4.152 4.812 . 0 0 "[ . 1 . 2]" 1
452 1 28 ILE HA 1 31 TYR CG . . 7.000 3.746 3.297 3.997 . 0 0 "[ . 1 . 2]" 1
453 1 28 ILE HA 1 31 TYR H . . 4.000 3.573 3.076 3.817 . 0 0 "[ . 1 . 2]" 1
454 1 28 ILE HA 1 31 TYR QB . . 5.500 3.299 1.974 3.988 . 0 0 "[ . 1 . 2]" 1
455 1 28 ILE HA 1 32 LEU H . . 5.000 4.139 3.561 4.390 . 0 0 "[ . 1 . 2]" 1
456 1 28 ILE HB 1 29 ASN H . . 5.000 3.008 2.771 3.423 . 0 0 "[ . 1 . 2]" 1
457 1 28 ILE MD 1 29 ASN H . . 5.500 4.366 4.153 4.519 . 0 0 "[ . 1 . 2]" 1
458 1 28 ILE MD 1 31 TYR CG . . 8.500 4.983 3.663 6.604 . 0 0 "[ . 1 . 2]" 1
459 1 28 ILE MD 1 31 TYR CZ . . 8.500 5.177 4.126 6.105 . 0 0 "[ . 1 . 2]" 1
460 1 28 ILE QG 1 29 ASN H . . 5.500 4.542 4.351 4.770 . 0 0 "[ . 1 . 2]" 1
461 1 28 ILE MG 1 29 ASN H . . 5.000 2.432 2.077 2.838 . 0 0 "[ . 1 . 2]" 1
462 1 28 ILE MG 1 31 TYR H . . 6.500 4.740 4.148 4.932 . 0 0 "[ . 1 . 2]" 1
463 1 28 ILE MG 1 32 LEU QB . . 5.500 3.185 2.969 3.499 . 0 0 "[ . 1 . 2]" 1
464 1 28 ILE MG 1 32 LEU MD1 . . 7.000 3.178 2.100 4.571 . 0 0 "[ . 1 . 2]" 1
465 1 28 ILE MG 1 54 LEU QD . . 7.900 2.705 2.240 3.163 . 0 0 "[ . 1 . 2]" 1
466 1 28 ILE MG 1 54 LEU HG . . 6.500 4.921 4.324 5.287 . 0 0 "[ . 1 . 2]" 1
467 1 28 ILE O 1 32 LEU H . . 2.000 1.951 1.716 2.063 0.063 16 0 "[ . 1 . 2]" 1
468 1 28 ILE O 1 32 LEU N . . 3.000 2.817 2.628 2.979 . 0 0 "[ . 1 . 2]" 1
469 1 29 ASN H 1 30 GLU H . . 2.800 2.566 2.462 2.841 0.041 8 0 "[ . 1 . 2]" 1
470 1 29 ASN H 1 31 TYR H . . 4.500 4.214 3.617 4.547 0.047 17 0 "[ . 1 . 2]" 1
471 1 29 ASN H 1 32 LEU H . . 6.000 4.540 4.470 4.654 . 0 0 "[ . 1 . 2]" 1
472 1 29 ASN H 1 32 LEU QB . . 5.500 4.279 3.983 4.713 . 0 0 "[ . 1 . 2]" 1
473 1 29 ASN HA 1 30 GLU H . . 4.000 3.586 3.553 3.649 . 0 0 "[ . 1 . 2]" 1
474 1 29 ASN HA 1 31 TYR H . . 5.000 4.325 4.020 4.528 . 0 0 "[ . 1 . 2]" 1
475 1 29 ASN HA 1 32 LEU H . . 4.000 3.184 3.028 3.610 . 0 0 "[ . 1 . 2]" 1
476 1 29 ASN HA 1 32 LEU QB . . 5.000 2.163 1.881 2.824 . 0 0 "[ . 1 . 2]" 1
477 1 29 ASN QB 1 30 GLU H . . 5.000 2.687 2.230 2.871 . 0 0 "[ . 1 . 2]" 1
478 1 29 ASN QB 1 47 ARG QB . . 7.500 5.272 4.466 5.811 . 0 0 "[ . 1 . 2]" 1
479 1 29 ASN QB 1 47 ARG QG . . 7.500 4.248 3.238 5.469 . 0 0 "[ . 1 . 2]" 1
480 1 29 ASN O 1 33 MET H . . 2.000 1.948 1.780 2.047 0.047 1 0 "[ . 1 . 2]" 1
481 1 29 ASN O 1 33 MET N . . 3.000 2.925 2.753 3.014 0.014 1 0 "[ . 1 . 2]" 1
482 1 30 GLU H 1 30 GLU HB2 . . 3.500 2.452 2.267 2.623 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLU H 1 30 GLU HB3 . . 3.500 2.504 2.351 2.699 . 0 0 "[ . 1 . 2]" 1
484 1 30 GLU H 1 31 TYR H . . 2.800 2.747 2.523 2.889 0.089 19 0 "[ . 1 . 2]" 1
485 1 30 GLU H 1 32 LEU H . . 4.500 3.949 3.669 4.447 . 0 0 "[ . 1 . 2]" 1
486 1 30 GLU H 1 33 MET H . . 6.000 4.890 4.728 4.979 . 0 0 "[ . 1 . 2]" 1
487 1 30 GLU H 1 33 MET QB . . 6.500 5.333 4.645 5.781 . 0 0 "[ . 1 . 2]" 1
488 1 30 GLU HA 1 31 TYR H . . 4.000 3.594 3.502 3.631 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLU HA 1 32 LEU H . . 5.000 4.421 4.075 4.995 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLU HA 1 33 MET H . . 4.000 3.882 3.543 4.044 0.044 20 0 "[ . 1 . 2]" 1
491 1 30 GLU HA 1 33 MET QB . . 5.500 3.586 2.555 4.384 . 0 0 "[ . 1 . 2]" 1
492 1 30 GLU HA 1 34 GLY H . . 5.000 4.283 3.635 4.691 . 0 0 "[ . 1 . 2]" 1
493 1 30 GLU QB 1 31 TYR H . . 5.500 2.644 2.414 3.038 . 0 0 "[ . 1 . 2]" 1
494 1 30 GLU QG 1 31 TYR H . . 6.000 3.722 3.191 4.404 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLU QG 1 34 GLY HA2 . . 6.500 5.503 4.595 5.857 . 0 0 "[ . 1 . 2]" 1
496 1 30 GLU QG 1 34 GLY HA3 . . 6.500 4.548 3.754 5.004 . 0 0 "[ . 1 . 2]" 1
497 1 31 TYR CG 1 32 LEU H . . 5.500 3.113 2.755 3.826 . 0 0 "[ . 1 . 2]" 1
498 1 31 TYR CG 1 35 LYS H . . 8.500 5.471 4.853 6.081 . 0 0 "[ . 1 . 2]" 1
499 1 31 TYR CG 1 35 LYS HG2 . . 7.500 6.225 4.886 7.190 . 0 0 "[ . 1 . 2]" 1
500 1 31 TYR CG 1 35 LYS HG3 . . 7.500 5.361 3.756 7.030 . 0 0 "[ . 1 . 2]" 1
501 1 31 TYR CZ 1 33 MET H . . 8.500 6.870 6.489 7.794 . 0 0 "[ . 1 . 2]" 1
502 1 31 TYR CZ 1 34 GLY H . . 8.500 7.305 7.045 7.514 . 0 0 "[ . 1 . 2]" 1
503 1 31 TYR CZ 1 35 LYS H . . 7.000 6.654 6.232 7.008 0.008 13 0 "[ . 1 . 2]" 1
504 1 31 TYR H 1 31 TYR HB2 . . 3.500 3.252 2.833 3.418 . 0 0 "[ . 1 . 2]" 1
505 1 31 TYR H 1 31 TYR HB3 . . 3.500 2.004 1.882 2.134 . 0 0 "[ . 1 . 2]" 1
506 1 31 TYR H 1 32 LEU H . . 2.800 2.431 2.393 2.559 . 0 0 "[ . 1 . 2]" 1
507 1 31 TYR H 1 32 LEU MD1 . . 6.000 4.727 4.224 4.843 . 0 0 "[ . 1 . 2]" 1
508 1 31 TYR H 1 33 MET H . . 4.500 4.249 3.770 4.485 . 0 0 "[ . 1 . 2]" 1
509 1 31 TYR H 1 34 GLY H . . 6.000 4.506 4.232 4.712 . 0 0 "[ . 1 . 2]" 1
510 1 31 TYR HA 1 32 LEU H . . 4.000 3.562 3.477 3.639 . 0 0 "[ . 1 . 2]" 1
511 1 31 TYR HA 1 33 MET H . . 5.000 4.451 4.163 4.808 . 0 0 "[ . 1 . 2]" 1
512 1 31 TYR HA 1 34 GLY H . . 4.000 3.135 2.916 3.486 . 0 0 "[ . 1 . 2]" 1
513 1 31 TYR HA 1 35 LYS H . . 5.000 4.130 3.552 4.716 . 0 0 "[ . 1 . 2]" 1
514 1 31 TYR QB 1 32 LEU H . . 6.000 3.224 2.650 3.598 . 0 0 "[ . 1 . 2]" 1
515 1 32 LEU H 1 32 LEU QB . . 3.500 1.988 1.962 2.039 . 0 0 "[ . 1 . 2]" 1
516 1 32 LEU H 1 33 MET H . . 2.800 2.734 2.564 2.847 0.047 11 0 "[ . 1 . 2]" 1
517 1 32 LEU H 1 34 GLY H . . 4.500 3.840 3.532 4.335 . 0 0 "[ . 1 . 2]" 1
518 1 32 LEU H 1 35 LYS H . . 6.000 4.722 4.438 4.989 . 0 0 "[ . 1 . 2]" 1
519 1 32 LEU H 1 35 LYS QB . . 6.500 4.759 4.467 5.239 . 0 0 "[ . 1 . 2]" 1
520 1 32 LEU HA 1 33 MET H . . 4.000 3.619 3.589 3.631 . 0 0 "[ . 1 . 2]" 1
521 1 32 LEU HA 1 34 GLY H . . 5.000 4.377 4.068 4.819 . 0 0 "[ . 1 . 2]" 1
522 1 32 LEU HA 1 35 LYS H . . 4.000 3.658 3.410 3.908 . 0 0 "[ . 1 . 2]" 1
523 1 32 LEU HA 1 35 LYS HB2 . . 5.500 3.360 2.391 4.275 . 0 0 "[ . 1 . 2]" 1
524 1 32 LEU HA 1 35 LYS HB3 . . 5.500 3.914 2.922 4.739 . 0 0 "[ . 1 . 2]" 1
525 1 32 LEU HA 1 36 PHE CG . . 7.500 4.739 4.130 5.097 . 0 0 "[ . 1 . 2]" 1
526 1 32 LEU HA 1 36 PHE CZ . . 7.500 5.304 4.642 5.841 . 0 0 "[ . 1 . 2]" 1
527 1 32 LEU HA 1 36 PHE H . . 5.000 3.833 3.248 4.356 . 0 0 "[ . 1 . 2]" 1
528 1 32 LEU QB 1 33 MET H . . 5.500 2.690 2.509 3.034 . 0 0 "[ . 1 . 2]" 1
529 1 32 LEU QD 1 36 PHE CG . . 8.000 4.003 2.425 4.782 . 0 0 "[ . 1 . 2]" 1
530 1 32 LEU QD 1 36 PHE CZ . . 8.000 3.922 3.040 4.510 . 0 0 "[ . 1 . 2]" 1
531 1 32 LEU QD 1 36 PHE HZ . . 6.500 4.191 3.562 4.662 . 0 0 "[ . 1 . 2]" 1
532 1 32 LEU QD 1 39 PHE CG . . 8.500 4.475 3.053 5.903 . 0 0 "[ . 1 . 2]" 1
533 1 32 LEU QD 1 39 PHE CZ . . 8.500 4.222 3.463 5.706 . 0 0 "[ . 1 . 2]" 1
534 1 32 LEU QD 1 50 VAL MG1 . . 7.400 3.257 2.489 4.367 . 0 0 "[ . 1 . 2]" 1
535 1 32 LEU QD 1 50 VAL MG2 . . 7.000 3.122 2.112 4.178 . 0 0 "[ . 1 . 2]" 1
536 1 32 LEU HG 1 36 PHE H . . 6.500 5.288 4.669 6.520 0.020 11 0 "[ . 1 . 2]" 1
537 1 32 LEU HG 1 46 TRP HH2 . . 6.000 4.876 3.581 5.543 . 0 0 "[ . 1 . 2]" 1
538 1 32 LEU HG 1 46 TRP HZ2 . . 6.000 5.816 4.726 6.053 0.053 19 0 "[ . 1 . 2]" 1
539 1 32 LEU HG 1 50 VAL MG1 . . 7.500 5.248 3.737 6.063 . 0 0 "[ . 1 . 2]" 1
540 1 32 LEU HG 1 50 VAL MG2 . . 7.000 4.884 3.591 5.635 . 0 0 "[ . 1 . 2]" 1
541 1 33 MET H 1 34 GLY H . . 2.800 2.502 2.393 2.715 . 0 0 "[ . 1 . 2]" 1
542 1 33 MET H 1 35 LYS H . . 4.500 3.923 3.747 4.371 . 0 0 "[ . 1 . 2]" 1
543 1 33 MET H 1 36 PHE CG . . 7.000 6.562 6.284 6.732 . 0 0 "[ . 1 . 2]" 1
544 1 33 MET H 1 36 PHE QB . . 6.500 4.913 4.569 5.491 . 0 0 "[ . 1 . 2]" 1
545 1 33 MET HA 1 34 GLY H . . 4.000 3.550 3.481 3.628 . 0 0 "[ . 1 . 2]" 1
546 1 33 MET HA 1 35 LYS H . . 5.500 3.778 3.421 4.437 . 0 0 "[ . 1 . 2]" 1
547 1 33 MET HA 1 36 PHE H . . 5.500 3.394 2.903 3.793 . 0 0 "[ . 1 . 2]" 1
548 1 33 MET HA 1 36 PHE HA . . 5.500 5.427 5.084 5.612 0.112 19 0 "[ . 1 . 2]" 1
549 1 33 MET HB2 1 34 GLY H . . 5.000 3.656 2.683 4.277 . 0 0 "[ . 1 . 2]" 1
550 1 33 MET HB3 1 34 GLY H . . 5.000 3.283 2.479 4.127 . 0 0 "[ . 1 . 2]" 1
551 1 34 GLY H 1 35 LYS H . . 2.800 2.537 2.408 2.706 . 0 0 "[ . 1 . 2]" 1
552 1 34 GLY H 1 36 PHE H . . 4.500 4.213 3.715 4.504 0.004 16 0 "[ . 1 . 2]" 1
553 1 34 GLY QA 1 35 LYS H . . 5.500 2.938 2.753 2.989 . 0 0 "[ . 1 . 2]" 1
554 1 35 LYS H 1 35 LYS HD2 . . 5.500 4.959 3.974 5.521 0.021 18 0 "[ . 1 . 2]" 1
555 1 35 LYS H 1 35 LYS HD3 . . 5.500 5.031 2.988 5.513 0.013 11 0 "[ . 1 . 2]" 1
556 1 35 LYS H 1 36 PHE H . . 2.800 2.209 1.888 2.470 . 0 0 "[ . 1 . 2]" 1
557 1 35 LYS HA 1 36 PHE H . . 4.000 3.607 3.504 3.639 . 0 0 "[ . 1 . 2]" 1
558 1 35 LYS QB 1 36 PHE H . . 5.500 2.643 2.381 3.092 . 0 0 "[ . 1 . 2]" 1
559 1 35 LYS QD 1 36 PHE CG . . 8.500 5.505 3.614 6.653 . 0 0 "[ . 1 . 2]" 1
560 1 35 LYS QD 1 36 PHE CZ . . 8.500 5.294 2.671 6.835 . 0 0 "[ . 1 . 2]" 1
561 1 35 LYS QG 1 36 PHE H . . 6.500 4.229 3.282 4.640 . 0 0 "[ . 1 . 2]" 1
562 1 36 PHE CG 1 39 PHE CG . . 8.500 4.661 3.729 5.566 . 0 0 "[ . 1 . 2]" 1
563 1 36 PHE CG 1 39 PHE CZ . . 9.500 5.779 4.264 7.285 . 0 0 "[ . 1 . 2]" 1
564 1 36 PHE CG 1 39 PHE QB . . 7.000 3.724 3.511 4.408 . 0 0 "[ . 1 . 2]" 1
565 1 36 PHE CZ 1 39 PHE QB . . 8.000 6.008 5.713 6.699 . 0 0 "[ . 1 . 2]" 1
566 1 36 PHE H 1 38 PHE H . . 6.000 5.816 5.261 6.027 0.027 9 0 "[ . 1 . 2]" 1
567 1 36 PHE H 1 39 PHE CG . . 8.500 5.866 5.198 6.683 . 0 0 "[ . 1 . 2]" 1
568 1 36 PHE H 1 39 PHE H . . 6.000 5.176 4.875 5.451 . 0 0 "[ . 1 . 2]" 1
569 1 36 PHE HA 1 37 PRO HD2 . . 4.500 2.229 2.191 2.293 . 0 0 "[ . 1 . 2]" 1
570 1 36 PHE HA 1 37 PRO HD3 . . 4.500 2.084 2.003 2.529 . 0 0 "[ . 1 . 2]" 1
571 1 36 PHE HA 1 38 PHE H . . 5.000 3.674 3.145 4.021 . 0 0 "[ . 1 . 2]" 1
572 1 36 PHE HA 1 39 PHE CG . . 7.500 5.998 5.362 6.741 . 0 0 "[ . 1 . 2]" 1
573 1 36 PHE HA 1 40 ARG H . . 5.500 5.494 5.272 5.590 0.090 10 0 "[ . 1 . 2]" 1
574 1 37 PRO HA 1 38 PHE H . . 4.000 3.478 3.383 3.539 . 0 0 "[ . 1 . 2]" 1
575 1 37 PRO HA 1 39 PHE CG . . 7.500 6.963 6.637 7.239 . 0 0 "[ . 1 . 2]" 1
576 1 37 PRO HA 1 39 PHE H . . 4.000 3.976 3.794 4.023 0.023 2 0 "[ . 1 . 2]" 1
577 1 37 PRO HB2 1 38 PHE H . . 5.500 3.341 2.834 3.726 . 0 0 "[ . 1 . 2]" 1
578 1 37 PRO HB3 1 38 PHE H . . 5.500 4.242 3.956 4.456 . 0 0 "[ . 1 . 2]" 1
579 1 37 PRO QD 1 39 PHE H . . 6.000 3.966 3.543 4.307 . 0 0 "[ . 1 . 2]" 1
580 1 37 PRO HD2 1 38 PHE H . . 4.000 2.284 2.254 2.427 . 0 0 "[ . 1 . 2]" 1
581 1 37 PRO HD3 1 38 PHE H . . 4.000 3.677 3.656 3.797 . 0 0 "[ . 1 . 2]" 1
582 1 37 PRO QG 1 38 PHE H . . 5.500 2.840 2.388 3.279 . 0 0 "[ . 1 . 2]" 1
583 1 38 PHE CG 1 39 PHE H . . 7.500 4.350 2.956 4.706 . 0 0 "[ . 1 . 2]" 1
584 1 38 PHE CZ 1 39 PHE H . . 7.500 6.812 4.117 7.403 . 0 0 "[ . 1 . 2]" 1
585 1 38 PHE H 1 39 PHE H . . 2.800 2.615 2.247 2.806 0.006 12 0 "[ . 1 . 2]" 1
586 1 38 PHE H 1 40 ARG H . . 4.500 4.122 3.767 4.511 0.011 4 0 "[ . 1 . 2]" 1
587 1 38 PHE H 1 41 GLY H . . 6.000 5.273 4.696 6.027 0.027 9 0 "[ . 1 . 2]" 1
588 1 38 PHE HA 1 39 PHE H . . 4.000 3.555 3.497 3.599 . 0 0 "[ . 1 . 2]" 1
589 1 38 PHE HA 1 40 ARG H . . 5.000 4.263 3.644 4.684 . 0 0 "[ . 1 . 2]" 1
590 1 38 PHE HA 1 41 GLY H . . 5.000 3.820 3.268 4.449 . 0 0 "[ . 1 . 2]" 1
591 1 38 PHE QB 1 39 PHE H . . 5.000 2.776 2.495 3.584 . 0 0 "[ . 1 . 2]" 1
592 1 39 PHE CG 1 40 ARG H . . 7.500 4.591 4.405 4.787 . 0 0 "[ . 1 . 2]" 1
593 1 39 PHE CG 1 43 TYR CG . . 7.500 7.238 4.808 7.544 0.044 14 0 "[ . 1 . 2]" 1
594 1 39 PHE CG 1 43 TYR CZ . . 7.500 6.812 5.290 7.469 . 0 0 "[ . 1 . 2]" 1
595 1 39 PHE CG 1 46 TRP HE1 . . 7.500 3.320 2.814 3.742 . 0 0 "[ . 1 . 2]" 1
596 1 39 PHE CZ 1 40 ARG H . . 7.500 7.284 6.926 7.518 0.018 11 0 "[ . 1 . 2]" 1
597 1 39 PHE CZ 1 42 SER H . . 8.500 8.279 7.824 8.524 0.024 2 0 "[ . 1 . 2]" 1
598 1 39 PHE CZ 1 43 TYR CZ . . 7.500 5.945 3.994 7.283 . 0 0 "[ . 1 . 2]" 1
599 1 39 PHE CZ 1 46 TRP HE1 . . 7.500 4.175 3.337 4.916 . 0 0 "[ . 1 . 2]" 1
600 1 39 PHE CZ 1 46 TRP HE3 . . 7.500 5.809 3.972 7.519 0.019 17 0 "[ . 1 . 2]" 1
601 1 39 PHE H 1 40 ARG H . . 2.800 2.493 2.348 2.615 . 0 0 "[ . 1 . 2]" 1
602 1 39 PHE H 1 41 GLY H . . 4.500 3.955 3.569 4.476 . 0 0 "[ . 1 . 2]" 1
603 1 39 PHE HA 1 40 ARG H . . 4.000 3.562 3.457 3.631 . 0 0 "[ . 1 . 2]" 1
604 1 39 PHE HA 1 46 TRP HE1 . . 6.500 3.207 2.369 4.219 . 0 0 "[ . 1 . 2]" 1
605 1 39 PHE HB2 1 40 ARG H . . 4.500 3.180 2.597 4.164 . 0 0 "[ . 1 . 2]" 1
606 1 39 PHE HB3 1 40 ARG H . . 4.500 3.137 2.621 3.836 . 0 0 "[ . 1 . 2]" 1
607 1 40 ARG QB 1 41 GLY H . . 5.500 3.818 3.237 4.097 . 0 0 "[ . 1 . 2]" 1
608 1 41 GLY H 1 42 SER H . . 2.800 2.404 1.907 2.834 0.034 9 0 "[ . 1 . 2]" 1
609 1 41 GLY H 1 46 TRP HE1 . . 6.500 5.445 4.326 6.193 . 0 0 "[ . 1 . 2]" 1
610 1 41 GLY QA 1 42 SER H . . 3.000 2.721 2.520 2.940 . 0 0 "[ . 1 . 2]" 1
611 1 42 SER H 1 43 TYR H . . 3.000 2.687 2.136 3.020 0.020 18 0 "[ . 1 . 2]" 1
612 1 42 SER HA 1 43 TYR H . . 4.000 3.637 3.607 3.648 . 0 0 "[ . 1 . 2]" 1
613 1 42 SER QB 1 43 TYR H . . 6.000 2.031 1.892 2.254 . 0 0 "[ . 1 . 2]" 1
614 1 42 SER QB 1 44 THR H . . 6.500 5.447 4.622 5.900 . 0 0 "[ . 1 . 2]" 1
615 1 42 SER QB 1 45 GLY H . . 6.500 5.836 5.740 5.936 . 0 0 "[ . 1 . 2]" 1
616 1 43 TYR CG 1 46 TRP HZ2 . . 7.500 7.041 6.060 7.536 0.036 19 0 "[ . 1 . 2]" 1
617 1 43 TYR CZ 1 48 ASN H . . 8.500 8.205 7.593 8.520 0.020 16 0 "[ . 1 . 2]" 1
618 1 43 TYR CZ 1 49 SER H . . 7.500 7.421 6.994 7.518 0.018 12 0 "[ . 1 . 2]" 1
619 1 43 TYR CZ 1 50 VAL H . . 8.500 7.722 7.013 8.256 . 0 0 "[ . 1 . 2]" 1
620 1 43 TYR H 1 46 TRP HD1 . . 5.000 4.459 3.751 5.113 0.113 16 0 "[ . 1 . 2]" 1
621 1 43 TYR H 1 46 TRP HE1 . . 5.000 3.685 3.096 5.044 0.044 16 0 "[ . 1 . 2]" 1
622 1 44 THR HA 1 45 GLY H . . 4.000 2.778 2.567 3.599 . 0 0 "[ . 1 . 2]" 1
623 1 44 THR MG 1 45 GLY H . . 6.000 4.122 3.441 4.368 . 0 0 "[ . 1 . 2]" 1
624 1 45 GLY H 1 46 TRP H . . 5.000 2.904 2.208 3.631 . 0 0 "[ . 1 . 2]" 1
625 1 45 GLY QA 1 46 TRP H . . 5.000 2.707 2.397 2.900 . 0 0 "[ . 1 . 2]" 1
626 1 46 TRP H 1 46 TRP HE1 . . 6.500 4.888 4.427 6.510 0.010 17 0 "[ . 1 . 2]" 1
627 1 46 TRP H 1 47 ARG H . . 2.800 2.121 1.888 2.777 . 0 0 "[ . 1 . 2]" 1
628 1 46 TRP H 1 48 ASN H . . 7.000 4.218 2.878 4.685 . 0 0 "[ . 1 . 2]" 1
629 1 46 TRP H 1 49 SER H . . 6.000 5.136 3.809 5.518 . 0 0 "[ . 1 . 2]" 1
630 1 46 TRP HA 1 47 ARG H . . 4.000 3.280 3.084 3.632 . 0 0 "[ . 1 . 2]" 1
631 1 46 TRP HA 1 49 SER H . . 4.000 3.056 2.817 3.743 . 0 0 "[ . 1 . 2]" 1
632 1 46 TRP HA 1 49 SER HB2 . . 5.500 3.427 1.999 5.211 . 0 0 "[ . 1 . 2]" 1
633 1 46 TRP HA 1 49 SER QB . . 5.500 3.082 1.988 4.333 . 0 0 "[ . 1 . 2]" 1
634 1 46 TRP HA 1 49 SER HB3 . . 5.500 4.123 2.578 5.176 . 0 0 "[ . 1 . 2]" 1
635 1 46 TRP HA 1 50 VAL H . . 5.000 3.817 3.448 4.098 . 0 0 "[ . 1 . 2]" 1
636 1 46 TRP QB 1 47 ARG H . . 5.500 3.754 1.992 4.046 . 0 0 "[ . 1 . 2]" 1
637 1 47 ARG H 1 47 ARG HB2 . . 3.500 2.313 2.021 2.672 . 0 0 "[ . 1 . 2]" 1
638 1 47 ARG H 1 47 ARG HB3 . . 3.500 2.901 2.296 3.506 0.006 2 0 "[ . 1 . 2]" 1
639 1 47 ARG H 1 48 ASN H . . 2.800 2.732 2.647 2.826 0.026 14 0 "[ . 1 . 2]" 1
640 1 47 ARG H 1 49 SER H . . 4.500 4.396 3.806 4.567 0.067 9 0 "[ . 1 . 2]" 1
641 1 47 ARG H 1 50 VAL HB . . 6.000 4.490 4.200 5.180 . 0 0 "[ . 1 . 2]" 1
642 1 47 ARG HA 1 48 ASN H . . 4.000 3.553 3.499 3.626 . 0 0 "[ . 1 . 2]" 1
643 1 47 ARG HA 1 49 SER H . . 5.000 4.743 4.383 5.004 0.004 13 0 "[ . 1 . 2]" 1
644 1 47 ARG HA 1 50 VAL H . . 4.000 3.568 3.321 3.945 . 0 0 "[ . 1 . 2]" 1
645 1 47 ARG HA 1 50 VAL HB . . 4.500 2.599 2.034 3.914 . 0 0 "[ . 1 . 2]" 1
646 1 47 ARG HA 1 51 ARG H . . 5.000 3.494 3.091 3.877 . 0 0 "[ . 1 . 2]" 1
647 1 47 ARG HB2 1 48 ASN H . . 4.500 3.653 2.848 4.252 . 0 0 "[ . 1 . 2]" 1
648 1 47 ARG HB3 1 48 ASN H . . 4.500 3.133 2.524 3.743 . 0 0 "[ . 1 . 2]" 1
649 1 47 ARG QG 1 48 ASN H . . 5.500 4.159 3.243 4.620 . 0 0 "[ . 1 . 2]" 1
650 1 47 ARG O 1 51 ARG H . . 2.000 1.984 1.795 2.068 0.068 13 0 "[ . 1 . 2]" 1
651 1 47 ARG O 1 51 ARG N . . 3.000 2.926 2.697 3.007 0.007 20 0 "[ . 1 . 2]" 1
652 1 48 ASN H 1 49 SER H . . 4.000 2.540 2.382 2.646 . 0 0 "[ . 1 . 2]" 1
653 1 48 ASN H 1 50 VAL H . . 4.500 3.781 3.510 4.258 . 0 0 "[ . 1 . 2]" 1
654 1 48 ASN H 1 51 ARG H . . 6.000 4.517 4.395 4.682 . 0 0 "[ . 1 . 2]" 1
655 1 48 ASN H 1 51 ARG QB . . 6.500 4.892 4.328 5.691 . 0 0 "[ . 1 . 2]" 1
656 1 48 ASN H 1 52 HIS H . . 6.000 5.660 5.493 5.875 . 0 0 "[ . 1 . 2]" 1
657 1 48 ASN HA 1 49 SER H . . 4.000 3.637 3.584 3.650 . 0 0 "[ . 1 . 2]" 1
658 1 48 ASN HA 1 50 VAL H . . 5.500 4.503 4.172 4.910 . 0 0 "[ . 1 . 2]" 1
659 1 48 ASN HA 1 51 ARG H . . 4.000 3.754 3.385 3.981 . 0 0 "[ . 1 . 2]" 1
660 1 48 ASN HA 1 51 ARG HB2 . . 5.500 3.906 2.184 5.121 . 0 0 "[ . 1 . 2]" 1
661 1 48 ASN HA 1 51 ARG HB3 . . 5.500 3.738 2.215 4.651 . 0 0 "[ . 1 . 2]" 1
662 1 48 ASN HA 1 51 ARG QG . . 6.500 3.686 2.099 5.563 . 0 0 "[ . 1 . 2]" 1
663 1 48 ASN HA 1 52 HIS H . . 5.000 4.034 3.756 4.281 . 0 0 "[ . 1 . 2]" 1
664 1 48 ASN HB2 1 49 SER H . . 4.500 2.939 2.304 3.816 . 0 0 "[ . 1 . 2]" 1
665 1 48 ASN HB3 1 49 SER H . . 4.500 3.028 2.212 3.872 . 0 0 "[ . 1 . 2]" 1
666 1 48 ASN QD 1 49 SER H . . 6.500 4.468 3.003 5.254 . 0 0 "[ . 1 . 2]" 1
667 1 48 ASN O 1 52 HIS H . . 2.000 1.964 1.778 2.094 0.094 19 0 "[ . 1 . 2]" 1
668 1 48 ASN O 1 52 HIS N . . 3.000 2.857 2.686 3.022 0.022 20 0 "[ . 1 . 2]" 1
669 1 49 SER H 1 50 VAL H . . 2.800 2.614 2.458 2.848 0.048 13 0 "[ . 1 . 2]" 1
670 1 49 SER H 1 51 ARG H . . 4.500 4.351 4.071 4.555 0.055 19 0 "[ . 1 . 2]" 1
671 1 49 SER H 1 52 HIS H . . 6.000 4.602 4.449 4.796 . 0 0 "[ . 1 . 2]" 1
672 1 49 SER HA 1 50 VAL H . . 4.000 3.588 3.518 3.641 . 0 0 "[ . 1 . 2]" 1
673 1 49 SER HA 1 51 ARG H . . 5.000 4.793 4.437 5.082 0.082 10 0 "[ . 1 . 2]" 1
674 1 49 SER HA 1 52 HIS H . . 4.000 3.471 3.273 3.660 . 0 0 "[ . 1 . 2]" 1
675 1 49 SER HA 1 52 HIS QB . . 5.500 2.433 2.069 2.952 . 0 0 "[ . 1 . 2]" 1
676 1 49 SER HA 1 53 ASN H . . 5.000 3.977 3.663 4.284 . 0 0 "[ . 1 . 2]" 1
677 1 49 SER QB 1 50 VAL H . . 6.500 2.851 2.318 3.663 . 0 0 "[ . 1 . 2]" 1
678 1 49 SER O 1 53 ASN H . . 2.000 1.958 1.783 2.033 0.033 13 0 "[ . 1 . 2]" 1
679 1 49 SER O 1 53 ASN N . . 3.000 2.938 2.782 3.027 0.027 13 0 "[ . 1 . 2]" 1
680 1 50 VAL H 1 51 ARG H . . 2.800 2.744 2.651 2.821 0.021 3 0 "[ . 1 . 2]" 1
681 1 50 VAL H 1 52 HIS H . . 4.500 3.923 3.660 4.212 . 0 0 "[ . 1 . 2]" 1
682 1 50 VAL H 1 53 ASN H . . 6.000 4.748 4.516 4.949 . 0 0 "[ . 1 . 2]" 1
683 1 50 VAL H 1 53 ASN QB . . 6.500 5.003 4.826 5.443 . 0 0 "[ . 1 . 2]" 1
684 1 50 VAL HA 1 51 ARG H . . 4.000 3.633 3.611 3.641 . 0 0 "[ . 1 . 2]" 1
685 1 50 VAL HA 1 52 HIS H . . 5.000 4.333 3.882 4.639 . 0 0 "[ . 1 . 2]" 1
686 1 50 VAL HA 1 53 ASN H . . 4.000 3.565 3.157 3.753 . 0 0 "[ . 1 . 2]" 1
687 1 50 VAL HA 1 53 ASN HB2 . . 4.500 3.254 2.576 4.277 . 0 0 "[ . 1 . 2]" 1
688 1 50 VAL HA 1 53 ASN HB3 . . 4.500 3.872 2.927 4.505 0.005 15 0 "[ . 1 . 2]" 1
689 1 50 VAL HA 1 54 LEU H . . 5.000 4.052 3.850 4.317 . 0 0 "[ . 1 . 2]" 1
690 1 50 VAL HA 1 54 LEU QD . . 7.900 4.493 3.775 5.411 . 0 0 "[ . 1 . 2]" 1
691 1 50 VAL HB 1 51 ARG H . . 4.500 2.763 2.417 3.686 . 0 0 "[ . 1 . 2]" 1
692 1 50 VAL MG1 1 51 ARG H . . 6.500 2.588 1.812 3.264 . 0 0 "[ . 1 . 2]" 1
693 1 50 VAL MG2 1 53 ASN H . . 6.500 5.110 4.690 5.302 . 0 0 "[ . 1 . 2]" 1
694 1 50 VAL MG2 1 53 ASN QB . . 7.500 4.216 3.478 4.781 . 0 0 "[ . 1 . 2]" 1
695 1 50 VAL MG2 1 54 LEU QD . . 7.900 4.072 2.635 4.888 . 0 0 "[ . 1 . 2]" 1
696 1 50 VAL O 1 54 LEU H . . 2.000 1.795 1.652 2.000 . 0 0 "[ . 1 . 2]" 1
697 1 50 VAL O 1 54 LEU N . . 3.000 2.599 2.463 2.671 . 0 0 "[ . 1 . 2]" 1
698 1 51 ARG H 1 51 ARG HB2 . . 3.500 2.793 2.152 3.551 0.051 20 0 "[ . 1 . 2]" 1
699 1 51 ARG H 1 51 ARG HB3 . . 3.500 2.741 2.081 3.504 0.004 16 0 "[ . 1 . 2]" 1
700 1 51 ARG H 1 52 HIS H . . 2.800 2.749 2.623 2.852 0.052 13 0 "[ . 1 . 2]" 1
701 1 51 ARG H 1 53 ASN H . . 4.500 4.526 4.322 4.637 0.137 4 0 "[ . 1 . 2]" 1
702 1 51 ARG H 1 54 LEU H . . 6.000 4.495 4.402 4.628 . 0 0 "[ . 1 . 2]" 1
703 1 51 ARG H 1 54 LEU HB2 . . 5.500 4.248 3.964 4.687 . 0 0 "[ . 1 . 2]" 1
704 1 51 ARG H 1 54 LEU HB3 . . 5.500 5.178 4.612 5.686 0.186 9 0 "[ . 1 . 2]" 1
705 1 51 ARG H 1 54 LEU QD . . 7.400 4.300 3.490 4.952 . 0 0 "[ . 1 . 2]" 1
706 1 51 ARG HA 1 53 ASN H . . 5.000 4.756 4.540 4.994 . 0 0 "[ . 1 . 2]" 1
707 1 51 ARG HA 1 54 LEU H . . 4.000 3.275 3.126 3.503 . 0 0 "[ . 1 . 2]" 1
708 1 51 ARG HA 1 54 LEU QB . . 5.500 2.057 1.852 2.394 . 0 0 "[ . 1 . 2]" 1
709 1 51 ARG HA 1 54 LEU HG . . 5.500 4.527 3.899 5.017 . 0 0 "[ . 1 . 2]" 1
710 1 51 ARG HA 1 55 SER H . . 5.000 4.096 3.696 4.290 . 0 0 "[ . 1 . 2]" 1
711 1 51 ARG QB 1 52 HIS H . . 5.500 2.996 2.613 3.606 . 0 0 "[ . 1 . 2]" 1
712 1 51 ARG QB 1 77 TRP HH2 . . 6.500 2.069 1.887 3.051 . 0 0 "[ . 1 . 2]" 1
713 1 51 ARG O 1 55 SER H . . 2.000 2.011 1.811 2.104 0.104 8 0 "[ . 1 . 2]" 1
714 1 51 ARG O 1 55 SER N . . 3.000 2.944 2.795 3.032 0.032 8 0 "[ . 1 . 2]" 1
715 1 52 HIS H 1 53 ASN H . . 2.800 2.813 2.565 2.916 0.116 20 0 "[ . 1 . 2]" 1
716 1 52 HIS H 1 54 LEU H . . 4.500 3.693 3.470 3.876 . 0 0 "[ . 1 . 2]" 1
717 1 52 HIS H 1 55 SER H . . 6.000 4.829 4.528 5.003 . 0 0 "[ . 1 . 2]" 1
718 1 52 HIS H 1 55 SER QB . . 6.500 5.423 4.888 5.624 . 0 0 "[ . 1 . 2]" 1
719 1 52 HIS H 1 56 LEU H . . 6.000 5.785 5.601 5.908 . 0 0 "[ . 1 . 2]" 1
720 1 52 HIS H 1 56 LEU QD . . 7.900 5.328 4.321 5.959 . 0 0 "[ . 1 . 2]" 1
721 1 52 HIS HA 1 53 ASN H . . 4.000 3.635 3.621 3.640 . 0 0 "[ . 1 . 2]" 1
722 1 52 HIS HA 1 54 LEU H . . 5.000 4.093 3.712 4.374 . 0 0 "[ . 1 . 2]" 1
723 1 52 HIS HA 1 55 SER H . . 5.000 3.627 3.154 3.896 . 0 0 "[ . 1 . 2]" 1
724 1 52 HIS HA 1 55 SER QB . . 6.000 3.566 2.779 3.880 . 0 0 "[ . 1 . 2]" 1
725 1 52 HIS HA 1 56 LEU H . . 5.000 4.065 3.799 4.283 . 0 0 "[ . 1 . 2]" 1
726 1 52 HIS HB2 1 53 ASN H . . 5.000 3.152 2.601 4.048 . 0 0 "[ . 1 . 2]" 1
727 1 52 HIS HB3 1 53 ASN H . . 5.000 2.710 2.323 3.456 . 0 0 "[ . 1 . 2]" 1
728 1 52 HIS O 1 56 LEU H . . 2.000 1.815 1.718 2.066 0.066 4 0 "[ . 1 . 2]" 1
729 1 52 HIS O 1 56 LEU N . . 3.000 2.701 2.606 2.941 . 0 0 "[ . 1 . 2]" 1
730 1 53 ASN H 1 54 LEU H . . 2.800 2.566 2.441 2.665 . 0 0 "[ . 1 . 2]" 1
731 1 53 ASN H 1 54 LEU QD . . 7.900 5.226 4.831 5.484 . 0 0 "[ . 1 . 2]" 1
732 1 53 ASN H 1 55 SER H . . 4.500 4.487 4.277 4.655 0.155 12 0 "[ . 1 . 2]" 1
733 1 53 ASN H 1 56 LEU H . . 6.000 4.495 4.374 4.787 . 0 0 "[ . 1 . 2]" 1
734 1 53 ASN H 1 56 LEU QB . . 6.500 4.268 3.948 5.584 . 0 0 "[ . 1 . 2]" 1
735 1 53 ASN HA 1 54 LEU H . . 4.000 3.535 3.414 3.599 . 0 0 "[ . 1 . 2]" 1
736 1 53 ASN HA 1 55 SER H . . 5.000 4.507 4.368 4.737 . 0 0 "[ . 1 . 2]" 1
737 1 53 ASN HA 1 56 LEU H . . 4.000 3.135 2.921 3.518 . 0 0 "[ . 1 . 2]" 1
738 1 53 ASN HA 1 56 LEU QB . . 6.000 2.246 1.873 3.927 . 0 0 "[ . 1 . 2]" 1
739 1 53 ASN HA 1 57 ASN H . . 5.000 4.166 3.601 4.478 . 0 0 "[ . 1 . 2]" 1
740 1 53 ASN QB 1 54 LEU H . . 6.000 2.928 2.659 3.228 . 0 0 "[ . 1 . 2]" 1
741 1 54 LEU H 1 55 SER H . . 2.800 2.741 2.392 2.919 0.119 11 0 "[ . 1 . 2]" 1
742 1 54 LEU H 1 56 LEU H . . 4.500 3.701 3.238 3.915 . 0 0 "[ . 1 . 2]" 1
743 1 54 LEU H 1 60 PHE CG . . 8.500 8.334 7.803 8.539 0.039 11 0 "[ . 1 . 2]" 1
744 1 54 LEU HA 1 55 SER H . . 4.000 3.625 3.593 3.636 . 0 0 "[ . 1 . 2]" 1
745 1 54 LEU HA 1 56 LEU H . . 5.000 4.418 4.023 4.673 . 0 0 "[ . 1 . 2]" 1
746 1 54 LEU HA 1 57 ASN H . . 4.000 3.784 3.390 4.004 0.004 5 0 "[ . 1 . 2]" 1
747 1 54 LEU HA 1 60 PHE CG . . 7.500 6.837 6.137 7.247 . 0 0 "[ . 1 . 2]" 1
748 1 54 LEU HA 1 60 PHE CZ . . 6.500 4.275 3.453 4.916 . 0 0 "[ . 1 . 2]" 1
749 1 54 LEU HA 1 60 PHE HZ . . 4.500 3.360 2.459 4.230 . 0 0 "[ . 1 . 2]" 1
750 1 54 LEU QB 1 60 PHE CG . . 7.500 5.973 4.815 6.646 . 0 0 "[ . 1 . 2]" 1
751 1 54 LEU QB 1 60 PHE CZ . . 7.500 3.672 2.566 4.327 . 0 0 "[ . 1 . 2]" 1
752 1 54 LEU QB 1 60 PHE HZ . . 6.500 2.902 1.950 3.715 . 0 0 "[ . 1 . 2]" 1
753 1 54 LEU QB 1 77 TRP HH2 . . 5.500 2.994 2.247 3.502 . 0 0 "[ . 1 . 2]" 1
754 1 54 LEU QB 1 77 TRP HZ2 . . 7.500 5.064 4.420 5.399 . 0 0 "[ . 1 . 2]" 1
755 1 54 LEU QD 1 60 PHE CG . . 7.900 4.426 4.066 4.638 . 0 0 "[ . 1 . 2]" 1
756 1 54 LEU QD 1 60 PHE CZ . . 9.400 2.439 2.314 2.595 . 0 0 "[ . 1 . 2]" 1
757 1 54 LEU QD 1 60 PHE H . . 7.900 5.368 4.937 5.683 . 0 0 "[ . 1 . 2]" 1
758 1 54 LEU QD 1 62 LYS QE . . 8.900 5.072 4.195 5.560 . 0 0 "[ . 1 . 2]" 1
759 1 54 LEU QD 1 77 TRP HD1 . . 7.900 5.569 5.306 6.031 . 0 0 "[ . 1 . 2]" 1
760 1 54 LEU QD 1 77 TRP HE1 . . 7.900 5.209 5.040 5.620 . 0 0 "[ . 1 . 2]" 1
761 1 54 LEU QD 1 77 TRP HH2 . . 7.400 2.819 2.311 3.267 . 0 0 "[ . 1 . 2]" 1
762 1 54 LEU QD 1 77 TRP HZ2 . . 6.900 4.036 3.908 4.248 . 0 0 "[ . 1 . 2]" 1
763 1 54 LEU QD 1 79 LEU MD1 . . 9.500 4.564 3.505 5.149 . 0 0 "[ . 1 . 2]" 1
764 1 54 LEU QD 1 79 LEU MD2 . . 9.500 4.195 3.721 4.811 . 0 0 "[ . 1 . 2]" 1
765 1 54 LEU MD1 1 55 SER H . . 6.000 4.781 4.232 5.024 . 0 0 "[ . 1 . 2]" 1
766 1 54 LEU MD2 1 55 SER H . . 6.000 3.965 3.411 4.557 . 0 0 "[ . 1 . 2]" 1
767 1 54 LEU HG 1 60 PHE CZ . . 7.500 3.630 2.836 5.289 . 0 0 "[ . 1 . 2]" 1
768 1 54 LEU HG 1 77 TRP HH2 . . 5.500 5.353 4.826 5.599 0.099 4 0 "[ . 1 . 2]" 1
769 1 55 SER H 1 56 LEU H . . 2.800 2.403 2.337 2.642 . 0 0 "[ . 1 . 2]" 1
770 1 55 SER H 1 58 ASP H . . 6.000 5.428 4.712 6.006 0.006 17 0 "[ . 1 . 2]" 1
771 1 55 SER HA 1 56 LEU H . . 4.000 3.546 3.429 3.617 . 0 0 "[ . 1 . 2]" 1
772 1 55 SER HA 1 57 ASN H . . 5.000 3.489 3.315 4.206 . 0 0 "[ . 1 . 2]" 1
773 1 55 SER HA 1 58 ASP H . . 5.000 4.084 3.177 4.744 . 0 0 "[ . 1 . 2]" 1
774 1 55 SER QB 1 56 LEU H . . 6.000 3.190 2.971 3.584 . 0 0 "[ . 1 . 2]" 1
775 1 55 SER QB 1 60 PHE CG . . 7.000 4.691 4.096 5.340 . 0 0 "[ . 1 . 2]" 1
776 1 55 SER QB 1 60 PHE CZ . . 6.500 4.226 3.556 4.877 . 0 0 "[ . 1 . 2]" 1
777 1 55 SER QB 1 60 PHE QB . . 7.500 5.361 5.028 5.844 . 0 0 "[ . 1 . 2]" 1
778 1 55 SER QB 1 62 LYS HB2 . . 6.500 5.703 5.000 5.874 . 0 0 "[ . 1 . 2]" 1
779 1 55 SER QB 1 62 LYS HB3 . . 6.500 5.014 4.234 5.871 . 0 0 "[ . 1 . 2]" 1
780 1 55 SER QB 1 77 TRP HH2 . . 6.500 4.200 3.502 5.740 . 0 0 "[ . 1 . 2]" 1
781 1 55 SER HB2 1 56 LEU H . . 5.000 4.299 4.094 4.539 . 0 0 "[ . 1 . 2]" 1
782 1 55 SER HB3 1 56 LEU H . . 5.000 3.301 3.033 3.875 . 0 0 "[ . 1 . 2]" 1
783 1 56 LEU H 1 57 ASN H . . 4.000 2.523 2.323 2.613 . 0 0 "[ . 1 . 2]" 1
784 1 56 LEU H 1 58 ASP H . . 6.000 5.047 4.267 5.640 . 0 0 "[ . 1 . 2]" 1
785 1 56 LEU HA 1 57 ASN H . . 4.000 3.321 3.269 3.544 . 0 0 "[ . 1 . 2]" 1
786 1 56 LEU HA 1 59 CYS H . . 5.000 4.729 3.966 5.062 0.062 9 0 "[ . 1 . 2]" 1
787 1 56 LEU HA 1 60 PHE CZ . . 8.000 7.413 6.918 8.024 0.024 12 0 "[ . 1 . 2]" 1
788 1 56 LEU QB 1 57 ASN H . . 5.500 3.508 2.921 3.957 . 0 0 "[ . 1 . 2]" 1
789 1 56 LEU QB 1 60 PHE CZ . . 8.500 7.403 7.223 7.621 . 0 0 "[ . 1 . 2]" 1
790 1 56 LEU QD 1 57 ASN H . . 7.000 4.254 3.722 4.628 . 0 0 "[ . 1 . 2]" 1
791 1 57 ASN H 1 58 ASP H . . 4.000 2.741 2.062 3.279 . 0 0 "[ . 1 . 2]" 1
792 1 57 ASN H 1 60 PHE CG . . 7.500 6.485 6.174 6.985 . 0 0 "[ . 1 . 2]" 1
793 1 57 ASN H 1 60 PHE H . . 6.000 5.429 5.116 5.825 . 0 0 "[ . 1 . 2]" 1
794 1 57 ASN HA 1 58 ASP H . . 4.000 3.627 3.574 3.655 . 0 0 "[ . 1 . 2]" 1
795 1 57 ASN HA 1 59 CYS H . . 5.500 5.016 4.458 5.333 . 0 0 "[ . 1 . 2]" 1
796 1 57 ASN QB 1 58 ASP H . . 6.000 1.947 1.816 2.271 . 0 0 "[ . 1 . 2]" 1
797 1 58 ASP H 1 59 CYS H . . 2.800 2.628 2.320 2.903 0.103 10 0 "[ . 1 . 2]" 1
798 1 58 ASP H 1 59 CYS QB . . 6.500 4.822 4.504 5.382 . 0 0 "[ . 1 . 2]" 1
799 1 58 ASP H 1 60 PHE CG . . 7.000 5.254 4.701 5.662 . 0 0 "[ . 1 . 2]" 1
800 1 58 ASP H 1 60 PHE CZ . . 5.500 4.161 3.514 5.104 . 0 0 "[ . 1 . 2]" 1
801 1 58 ASP H 1 60 PHE H . . 5.000 4.937 4.329 5.082 0.082 18 0 "[ . 1 . 2]" 1
802 1 58 ASP H 1 79 LEU QD . . 7.900 5.230 4.821 5.594 . 0 0 "[ . 1 . 2]" 1
803 1 58 ASP HA 1 59 CYS H . . 4.000 3.630 3.569 3.653 . 0 0 "[ . 1 . 2]" 1
804 1 58 ASP QB 1 59 CYS H . . 6.000 2.472 2.113 2.847 . 0 0 "[ . 1 . 2]" 1
805 1 58 ASP QB 1 79 LEU QB . . 7.500 3.361 2.993 3.625 . 0 0 "[ . 1 . 2]" 1
806 1 59 CYS H 1 60 PHE CZ . . 7.000 4.042 3.425 4.672 . 0 0 "[ . 1 . 2]" 1
807 1 59 CYS H 1 60 PHE H . . 3.000 2.603 2.292 3.018 0.018 17 0 "[ . 1 . 2]" 1
808 1 59 CYS QB 1 60 PHE H . . 6.000 4.043 3.843 4.094 . 0 0 "[ . 1 . 2]" 1
809 1 59 CYS QB 1 80 ASN H . . 7.500 6.486 6.183 6.634 . 0 0 "[ . 1 . 2]" 1
810 1 60 PHE CG 1 61 VAL H . . 7.000 3.715 3.419 3.929 . 0 0 "[ . 1 . 2]" 1
811 1 60 PHE CG 1 79 LEU H . . 7.500 5.396 5.147 5.614 . 0 0 "[ . 1 . 2]" 1
812 1 60 PHE CG 1 79 LEU HA . . 7.500 3.860 3.426 4.155 . 0 0 "[ . 1 . 2]" 1
813 1 60 PHE CG 1 79 LEU QB . . 6.500 2.453 2.288 2.635 . 0 0 "[ . 1 . 2]" 1
814 1 60 PHE CG 1 79 LEU QD . . 8.500 3.385 3.113 3.530 . 0 0 "[ . 1 . 2]" 1
815 1 60 PHE CG 1 79 LEU HG . . 6.000 5.411 5.259 5.594 . 0 0 "[ . 1 . 2]" 1
816 1 60 PHE CZ 1 61 VAL H . . 7.000 6.227 5.758 6.578 . 0 0 "[ . 1 . 2]" 1
817 1 60 PHE CZ 1 79 LEU H . . 7.500 7.150 6.611 7.516 0.016 4 0 "[ . 1 . 2]" 1
818 1 60 PHE CZ 1 79 LEU QB . . 8.500 4.165 3.667 4.486 . 0 0 "[ . 1 . 2]" 1
819 1 60 PHE CZ 1 79 LEU QD . . 7.500 3.807 3.549 4.072 . 0 0 "[ . 1 . 2]" 1
820 1 60 PHE CZ 1 79 LEU HG . . 8.000 6.727 6.324 7.102 . 0 0 "[ . 1 . 2]" 1
821 1 60 PHE H 1 61 VAL H . . 4.500 4.319 4.284 4.359 . 0 0 "[ . 1 . 2]" 1
822 1 60 PHE H 1 61 VAL QG . . 7.900 4.946 4.591 5.422 . 0 0 "[ . 1 . 2]" 1
823 1 60 PHE H 1 79 LEU QD . . 8.500 5.071 4.946 5.203 . 0 0 "[ . 1 . 2]" 1
824 1 60 PHE HA 1 61 VAL H . . 4.000 2.833 2.785 2.864 . 0 0 "[ . 1 . 2]" 1
825 1 60 PHE HA 1 79 LEU HA . . 4.000 3.475 3.304 3.740 . 0 0 "[ . 1 . 2]" 1
826 1 60 PHE HA 1 80 ASN H . . 4.000 4.125 4.036 4.213 0.213 4 0 "[ . 1 . 2]" 1
827 1 60 PHE QB 1 79 LEU H . . 6.500 3.848 3.741 3.985 . 0 0 "[ . 1 . 2]" 1
828 1 60 PHE QB 1 79 LEU QB . . 4.500 1.805 1.721 2.104 . 0 0 "[ . 1 . 2]" 1
829 1 60 PHE QB 1 79 LEU HG . . 7.500 4.209 4.141 4.409 . 0 0 "[ . 1 . 2]" 1
830 1 60 PHE HB2 1 61 VAL H . . 3.500 1.823 1.758 1.908 . 0 0 "[ . 1 . 2]" 1
831 1 60 PHE HB3 1 61 VAL H . . 3.500 3.221 3.002 3.384 . 0 0 "[ . 1 . 2]" 1
832 1 60 PHE HZ 1 79 LEU QD . . 6.500 4.267 3.940 4.574 . 0 0 "[ . 1 . 2]" 1
833 1 61 VAL H 1 62 LYS H . . 4.500 4.499 4.458 4.511 0.011 18 0 "[ . 1 . 2]" 1
834 1 61 VAL H 1 77 TRP HE3 . . 7.500 5.777 4.851 6.424 . 0 0 "[ . 1 . 2]" 1
835 1 61 VAL H 1 78 MET O . . 2.000 1.980 1.806 2.123 0.123 10 0 "[ . 1 . 2]" 1
836 1 61 VAL H 1 79 LEU H . . 6.000 4.870 4.777 5.066 . 0 0 "[ . 1 . 2]" 1
837 1 61 VAL H 1 79 LEU HA . . 4.000 3.084 2.821 3.289 . 0 0 "[ . 1 . 2]" 1
838 1 61 VAL H 1 79 LEU QB . . 5.500 3.826 3.573 4.103 . 0 0 "[ . 1 . 2]" 1
839 1 61 VAL H 1 79 LEU QD . . 7.500 4.689 4.284 5.031 . 0 0 "[ . 1 . 2]" 1
840 1 61 VAL HA 1 62 LYS H . . 2.500 2.392 2.260 2.536 0.036 13 0 "[ . 1 . 2]" 1
841 1 61 VAL HB 1 62 LYS H . . 4.500 3.842 2.445 4.206 . 0 0 "[ . 1 . 2]" 1
842 1 61 VAL QG 1 62 LYS H . . 7.000 2.094 1.864 2.921 . 0 0 "[ . 1 . 2]" 1
843 1 61 VAL QG 1 79 LEU H . . 8.500 5.491 4.599 6.121 . 0 0 "[ . 1 . 2]" 1
844 1 61 VAL N 1 78 MET O . . 3.000 2.941 2.784 3.039 0.039 4 0 "[ . 1 . 2]" 1
845 1 61 VAL O 1 78 MET H . . 2.000 1.728 1.604 1.958 . 0 0 "[ . 1 . 2]" 1
846 1 61 VAL O 1 78 MET N . . 3.000 2.617 2.488 2.789 . 0 0 "[ . 1 . 2]" 1
847 1 62 LYS H 1 63 VAL H . . 4.500 4.486 4.428 4.502 0.002 16 0 "[ . 1 . 2]" 1
848 1 62 LYS H 1 77 TRP HD1 . . 6.500 6.141 5.665 6.645 0.145 10 0 "[ . 1 . 2]" 1
849 1 62 LYS H 1 77 TRP HE3 . . 6.500 6.039 5.554 6.655 0.155 5 0 "[ . 1 . 2]" 1
850 1 62 LYS H 1 78 MET H . . 6.000 4.384 4.164 4.621 . 0 0 "[ . 1 . 2]" 1
851 1 62 LYS HA 1 63 VAL H . . 3.000 2.379 2.272 2.599 . 0 0 "[ . 1 . 2]" 1
852 1 62 LYS HA 1 77 TRP HA . . 3.000 1.944 1.893 2.008 . 0 0 "[ . 1 . 2]" 1
853 1 62 LYS HA 1 77 TRP QB . . 5.500 2.513 1.984 3.508 . 0 0 "[ . 1 . 2]" 1
854 1 62 LYS HA 1 78 MET H . . 5.500 2.586 2.083 2.949 . 0 0 "[ . 1 . 2]" 1
855 1 62 LYS QB 1 63 VAL H . . 6.000 2.994 2.369 3.619 . 0 0 "[ . 1 . 2]" 1
856 1 62 LYS QB 1 77 TRP HA . . 5.500 3.284 2.461 3.676 . 0 0 "[ . 1 . 2]" 1
857 1 62 LYS QB 1 77 TRP QB . . 5.500 3.056 2.657 3.646 . 0 0 "[ . 1 . 2]" 1
858 1 62 LYS QB 1 78 MET H . . 6.500 4.278 3.591 4.855 . 0 0 "[ . 1 . 2]" 1
859 1 62 LYS QD 1 77 TRP QB . . 7.000 4.982 4.146 5.565 . 0 0 "[ . 1 . 2]" 1
860 1 62 LYS QD 1 77 TRP HZ2 . . 6.000 4.265 2.593 5.367 . 0 0 "[ . 1 . 2]" 1
861 1 62 LYS QE 1 77 TRP HZ2 . . 6.000 3.196 2.174 5.222 . 0 0 "[ . 1 . 2]" 1
862 1 62 LYS QG 1 63 VAL H . . 6.500 3.123 2.113 4.313 . 0 0 "[ . 1 . 2]" 1
863 1 62 LYS QG 1 75 ASN QD . . 7.500 4.574 2.133 5.681 . 0 0 "[ . 1 . 2]" 1
864 1 62 LYS QG 1 77 TRP QB . . 6.500 4.289 2.551 5.133 . 0 0 "[ . 1 . 2]" 1
865 1 62 LYS QG 1 77 TRP HD1 . . 6.000 3.776 2.246 5.118 . 0 0 "[ . 1 . 2]" 1
866 1 62 LYS QG 1 77 TRP HZ2 . . 6.000 4.656 3.523 5.260 . 0 0 "[ . 1 . 2]" 1
867 1 63 VAL H 1 76 TYR CG . . 7.500 5.479 5.015 6.191 . 0 0 "[ . 1 . 2]" 1
868 1 63 VAL H 1 76 TYR H . . 4.000 4.033 3.569 4.140 0.140 13 0 "[ . 1 . 2]" 1
869 1 63 VAL H 1 76 TYR QB . . 6.500 4.804 3.680 5.261 . 0 0 "[ . 1 . 2]" 1
870 1 63 VAL H 1 76 TYR O . . 2.000 2.006 1.528 2.155 0.155 18 0 "[ . 1 . 2]" 1
871 1 63 VAL H 1 77 TRP HA . . 4.000 2.297 1.983 2.787 . 0 0 "[ . 1 . 2]" 1
872 1 63 VAL H 1 77 TRP HB2 . . 5.500 5.049 4.722 5.510 0.010 1 0 "[ . 1 . 2]" 1
873 1 63 VAL H 1 77 TRP HB3 . . 5.500 4.316 3.864 5.019 . 0 0 "[ . 1 . 2]" 1
874 1 63 VAL H 1 77 TRP HD1 . . 6.500 2.829 2.301 3.495 . 0 0 "[ . 1 . 2]" 1
875 1 63 VAL H 1 77 TRP HE1 . . 6.500 4.597 4.038 5.019 . 0 0 "[ . 1 . 2]" 1
876 1 63 VAL HB 1 76 TYR H . . 5.500 4.465 3.247 5.685 0.185 9 0 "[ . 1 . 2]" 1
877 1 63 VAL MG1 1 66 ASP QB . . 5.500 3.133 1.749 4.147 . 0 0 "[ . 1 . 2]" 1
878 1 63 VAL MG1 1 76 TYR CG . . 7.500 4.157 2.847 5.516 . 0 0 "[ . 1 . 2]" 1
879 1 63 VAL MG1 1 76 TYR CZ . . 7.500 4.132 2.735 6.160 . 0 0 "[ . 1 . 2]" 1
880 1 63 VAL MG1 1 76 TYR H . . 6.500 3.973 2.497 5.483 . 0 0 "[ . 1 . 2]" 1
881 1 63 VAL MG2 1 69 ARG QD . . 7.500 5.270 4.281 5.590 . 0 0 "[ . 1 . 2]" 1
882 1 63 VAL MG2 1 76 TYR CG . . 8.000 4.339 2.725 5.544 . 0 0 "[ . 1 . 2]" 1
883 1 63 VAL MG2 1 76 TYR CZ . . 8.000 4.672 2.513 6.592 . 0 0 "[ . 1 . 2]" 1
884 1 63 VAL N 1 76 TYR O . . 3.000 2.898 2.492 3.092 0.092 18 0 "[ . 1 . 2]" 1
885 1 64 LEU HA 1 65 ARG H . . 5.000 2.754 2.176 3.631 . 0 0 "[ . 1 . 2]" 1
886 1 64 LEU HA 1 66 ASP H . . 5.500 5.007 4.073 5.534 0.034 16 0 "[ . 1 . 2]" 1
887 1 64 LEU HA 1 77 TRP HE1 . . 6.000 5.341 4.160 6.045 0.045 10 0 "[ . 1 . 2]" 1
888 1 65 ARG H 1 65 ARG HA . . 3.000 2.564 2.159 2.901 . 0 0 "[ . 1 . 2]" 1
889 1 65 ARG H 1 65 ARG HB2 . . 3.500 2.786 2.023 3.644 0.144 12 0 "[ . 1 . 2]" 1
890 1 65 ARG H 1 65 ARG HB3 . . 3.500 3.262 2.532 3.535 0.035 6 0 "[ . 1 . 2]" 1
891 1 65 ARG H 1 66 ASP H . . 4.500 3.710 3.184 4.454 . 0 0 "[ . 1 . 2]" 1
892 1 65 ARG H 1 75 ASN QB . . 6.500 4.357 2.003 5.738 . 0 0 "[ . 1 . 2]" 1
893 1 65 ARG H 1 76 TYR CG . . 8.500 7.748 6.364 8.502 0.002 16 0 "[ . 1 . 2]" 1
894 1 65 ARG HA 1 66 ASP H . . 3.000 2.348 2.226 2.548 . 0 0 "[ . 1 . 2]" 1
895 1 65 ARG QB 1 66 ASP H . . 5.500 4.002 3.728 4.112 . 0 0 "[ . 1 . 2]" 1
896 1 66 ASP H 1 66 ASP HB2 . . 3.500 2.945 2.038 3.597 0.097 18 0 "[ . 1 . 2]" 1
897 1 66 ASP H 1 66 ASP HB3 . . 3.500 3.141 2.241 3.639 0.139 6 0 "[ . 1 . 2]" 1
898 1 66 ASP HA 1 68 SER H . . 5.000 4.674 3.697 5.005 0.005 19 0 "[ . 1 . 2]" 1
899 1 67 PRO HA 1 68 SER H . . 4.000 2.615 2.358 3.531 . 0 0 "[ . 1 . 2]" 1
900 1 67 PRO HB2 1 68 SER H . . 5.000 4.256 2.973 4.453 . 0 0 "[ . 1 . 2]" 1
901 1 67 PRO HB3 1 68 SER H . . 5.000 4.584 4.034 4.719 . 0 0 "[ . 1 . 2]" 1
902 1 68 SER H 1 69 ARG H . . 2.800 2.277 1.898 2.815 0.015 14 0 "[ . 1 . 2]" 1
903 1 68 SER H 1 69 ARG HA . . 5.500 4.430 4.145 4.946 . 0 0 "[ . 1 . 2]" 1
904 1 68 SER HA 1 69 ARG H . . 5.000 3.221 2.430 3.648 . 0 0 "[ . 1 . 2]" 1
905 1 68 SER HA 1 76 TYR CZ . . 8.500 7.265 5.571 8.508 0.008 15 0 "[ . 1 . 2]" 1
906 1 69 ARG H 1 69 ARG HB2 . . 4.000 3.113 2.083 4.001 0.001 2 0 "[ . 1 . 2]" 1
907 1 69 ARG H 1 69 ARG HB3 . . 4.000 3.639 3.128 3.944 . 0 0 "[ . 1 . 2]" 1
908 1 69 ARG H 1 70 PRO HA . . 5.500 4.464 4.003 5.553 0.053 8 0 "[ . 1 . 2]" 1
909 1 69 ARG H 1 70 PRO HD2 . . 5.000 3.945 1.929 4.858 . 0 0 "[ . 1 . 2]" 1
910 1 69 ARG H 1 70 PRO HD3 . . 5.000 2.898 2.201 4.089 . 0 0 "[ . 1 . 2]" 1
911 1 69 ARG H 1 72 GLY H . . 7.000 6.049 5.202 6.921 . 0 0 "[ . 1 . 2]" 1
912 1 69 ARG HA 1 70 PRO HD2 . . 5.000 2.430 2.218 3.961 . 0 0 "[ . 1 . 2]" 1
913 1 69 ARG HA 1 70 PRO HD3 . . 5.000 2.607 2.050 3.821 . 0 0 "[ . 1 . 2]" 1
914 1 69 ARG HA 1 72 GLY H . . 5.500 5.185 3.634 5.595 0.095 19 0 "[ . 1 . 2]" 1
915 1 70 PRO HA 1 72 GLY H . . 4.000 3.795 3.147 4.044 0.044 12 0 "[ . 1 . 2]" 1
916 1 71 TRP H 1 72 GLY H . . 3.000 2.461 1.897 3.166 0.166 3 0 "[ . 1 . 2]" 1
917 1 72 GLY H 1 73 LYS H . . 5.000 3.270 2.233 4.479 . 0 0 "[ . 1 . 2]" 1
918 1 72 GLY H 1 74 ASP H . . 4.500 4.178 3.105 4.517 0.017 19 0 "[ . 1 . 2]" 1
919 1 72 GLY QA 1 73 LYS H . . 5.000 2.381 2.172 2.786 . 0 0 "[ . 1 . 2]" 1
920 1 73 LYS H 1 74 ASP H . . 2.800 2.192 1.884 2.802 0.002 16 0 "[ . 1 . 2]" 1
921 1 73 LYS HA 1 74 ASP H . . 4.000 3.144 2.615 3.631 . 0 0 "[ . 1 . 2]" 1
922 1 73 LYS QB 1 74 ASP H . . 5.500 3.470 2.567 4.130 . 0 0 "[ . 1 . 2]" 1
923 1 74 ASP H 1 75 ASN H . . 4.500 3.735 2.339 4.545 0.045 4 0 "[ . 1 . 2]" 1
924 1 74 ASP HA 1 75 ASN H . . 4.000 2.933 2.253 3.655 . 0 0 "[ . 1 . 2]" 1
925 1 75 ASN H 1 76 TYR CG . . 7.500 5.969 5.615 6.202 . 0 0 "[ . 1 . 2]" 1
926 1 75 ASN H 1 76 TYR CZ . . 7.500 7.522 7.343 7.592 0.092 15 0 "[ . 1 . 2]" 1
927 1 75 ASN H 1 76 TYR H . . 4.500 4.323 3.806 4.424 . 0 0 "[ . 1 . 2]" 1
928 1 75 ASN H 1 77 TRP HE1 . . 6.500 5.784 5.155 6.270 . 0 0 "[ . 1 . 2]" 1
929 1 75 ASN QB 1 76 TYR H . . 4.500 2.548 1.919 3.576 . 0 0 "[ . 1 . 2]" 1
930 1 75 ASN QB 1 77 TRP HD1 . . 5.500 3.662 2.795 4.264 . 0 0 "[ . 1 . 2]" 1
931 1 76 TYR CG 1 77 TRP H . . 7.000 4.287 3.911 4.546 . 0 0 "[ . 1 . 2]" 1
932 1 76 TYR CZ 1 77 TRP H . . 7.500 6.644 5.575 7.129 . 0 0 "[ . 1 . 2]" 1
933 1 76 TYR H 1 77 TRP H . . 4.500 4.440 4.355 4.509 0.009 7 0 "[ . 1 . 2]" 1
934 1 76 TYR HA 1 77 TRP H . . 4.000 2.363 2.190 2.471 . 0 0 "[ . 1 . 2]" 1
935 1 76 TYR QB 1 77 TRP H . . 6.000 2.850 2.500 3.761 . 0 0 "[ . 1 . 2]" 1
936 1 77 TRP H 1 77 TRP HD1 . . 5.000 3.039 2.738 3.338 . 0 0 "[ . 1 . 2]" 1
937 1 77 TRP H 1 77 TRP HE1 . . 6.500 5.325 5.104 5.676 . 0 0 "[ . 1 . 2]" 1
938 1 77 TRP H 1 77 TRP HE3 . . 6.500 5.410 4.962 5.834 . 0 0 "[ . 1 . 2]" 1
939 1 77 TRP H 1 78 MET H . . 4.500 4.490 4.445 4.509 0.009 7 0 "[ . 1 . 2]" 1
940 1 77 TRP HA 1 78 MET H . . 3.000 2.432 2.280 2.528 . 0 0 "[ . 1 . 2]" 1
941 1 77 TRP QB 1 78 MET H . . 5.500 2.593 2.394 3.012 . 0 0 "[ . 1 . 2]" 1
942 1 77 TRP HD1 1 78 MET H . . 5.500 4.973 4.791 5.314 . 0 0 "[ . 1 . 2]" 1
943 1 77 TRP HE3 1 78 MET H . . 5.500 5.201 4.362 5.568 0.068 5 0 "[ . 1 . 2]" 1
944 1 78 MET H 1 79 LEU H . . 4.500 4.203 4.045 4.352 . 0 0 "[ . 1 . 2]" 1
945 1 78 MET HA 1 79 LEU H . . 3.000 2.209 2.203 2.229 . 0 0 "[ . 1 . 2]" 1
946 1 78 MET QB 1 79 LEU H . . 4.500 3.842 3.354 4.036 . 0 0 "[ . 1 . 2]" 1
947 1 78 MET ME 1 79 LEU H . . 5.500 4.124 3.554 4.390 . 0 0 "[ . 1 . 2]" 1
948 1 78 MET QG 1 79 LEU H . . 5.500 3.390 2.779 4.455 . 0 0 "[ . 1 . 2]" 1
949 1 79 LEU HA 1 80 ASN H . . 4.000 2.323 2.227 2.417 . 0 0 "[ . 1 . 2]" 1
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