NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569847 |
2mc4   |
19427 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mc4
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 1448
_Distance_constraint_stats_list.Viol_count 557
_Distance_constraint_stats_list.Viol_total 417.292
_Distance_constraint_stats_list.Viol_max 0.458
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0375
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 PRO 0.126 0.041 5 0 "[ . 1 . 2]"
1 6 LYS 0.203 0.059 11 0 "[ . 1 . 2]"
1 7 LEU 0.309 0.075 4 0 "[ . 1 . 2]"
1 8 VAL 0.092 0.034 4 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.374 0.071 20 0 "[ . 1 . 2]"
1 11 LEU 0.108 0.085 17 0 "[ . 1 . 2]"
1 12 GLU 0.010 0.010 3 0 "[ . 1 . 2]"
1 13 ARG 0.468 0.170 15 0 "[ . 1 . 2]"
1 14 LEU 0.154 0.085 17 0 "[ . 1 . 2]"
1 15 ALA 0.056 0.044 12 0 "[ . 1 . 2]"
1 16 THR 0.144 0.074 15 0 "[ . 1 . 2]"
1 17 VAL 0.001 0.001 15 0 "[ . 1 . 2]"
1 18 PRO 0.030 0.018 19 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.207 0.033 12 0 "[ . 1 . 2]"
1 22 ALA 0.100 0.037 10 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.018 0.018 20 0 "[ . 1 . 2]"
1 25 LEU 0.945 0.099 3 0 "[ . 1 . 2]"
1 26 GLN 0.200 0.037 10 0 "[ . 1 . 2]"
1 27 ARG 1.066 0.060 8 0 "[ . 1 . 2]"
1 28 TYR 0.648 0.060 8 0 "[ . 1 . 2]"
1 29 ALA 0.195 0.049 15 0 "[ . 1 . 2]"
1 30 ALA 0.608 0.059 6 0 "[ . 1 . 2]"
1 31 THR 0.016 0.016 9 0 "[ . 1 . 2]"
1 32 ILE 0.110 0.049 15 0 "[ . 1 . 2]"
1 33 GLN 0.569 0.136 8 0 "[ . 1 . 2]"
1 34 SER 0.009 0.008 3 0 "[ . 1 . 2]"
1 35 GLN 0.016 0.016 9 0 "[ . 1 . 2]"
1 36 ARG 0.685 0.152 4 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.729 0.206 9 0 "[ . 1 . 2]"
1 39 TYR 3.345 0.458 6 0 "[ . 1 . 2]"
1 40 ASN 1.669 0.458 6 0 "[ . 1 . 2]"
1 41 GLY 0.512 0.154 16 0 "[ . 1 . 2]"
1 42 LYS 0.147 0.072 6 0 "[ . 1 . 2]"
1 43 VAL 0.052 0.023 5 0 "[ . 1 . 2]"
1 44 LEU 0.033 0.014 6 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.126 0.030 10 0 "[ . 1 . 2]"
1 47 ARG 1.809 0.211 12 0 "[ . 1 . 2]"
1 48 GLN 0.366 0.074 2 0 "[ . 1 . 2]"
1 49 ASP 0.390 0.102 1 0 "[ . 1 . 2]"
1 50 ASP 0.422 0.153 7 0 "[ . 1 . 2]"
1 51 LEU 0.196 0.073 9 0 "[ . 1 . 2]"
1 52 ARG 0.608 0.153 7 0 "[ . 1 . 2]"
1 53 THR 0.048 0.048 1 0 "[ . 1 . 2]"
1 54 LEU 0.046 0.026 15 0 "[ . 1 . 2]"
1 55 ALA 0.162 0.031 11 0 "[ . 1 . 2]"
1 56 VAL 0.732 0.057 18 0 "[ . 1 . 2]"
1 57 ILE 1.782 0.082 5 0 "[ . 1 . 2]"
1 58 TYR 2.518 0.099 3 0 "[ . 1 . 2]"
1 59 ASP 0.363 0.063 17 0 "[ . 1 . 2]"
1 60 GLN 0.349 0.068 10 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.409 0.101 3 0 "[ . 1 . 2]"
1 66 THR 0.203 0.183 11 0 "[ . 1 . 2]"
1 67 GLU 0.505 0.101 3 0 "[ . 1 . 2]"
1 68 GLN 1.731 0.062 7 0 "[ . 1 . 2]"
1 69 LEU 1.134 0.125 9 0 "[ . 1 . 2]"
1 70 ILE 0.584 0.139 14 0 "[ . 1 . 2]"
1 71 SER 0.044 0.015 12 0 "[ . 1 . 2]"
1 72 TRP 1.571 0.093 11 0 "[ . 1 . 2]"
1 73 GLY 0.574 0.084 14 0 "[ . 1 . 2]"
1 74 VAL 0.743 0.170 15 0 "[ . 1 . 2]"
1 75 LEU 0.449 0.139 14 0 "[ . 1 . 2]"
1 76 ASP 0.058 0.047 14 0 "[ . 1 . 2]"
1 77 ALA 0.071 0.048 11 0 "[ . 1 . 2]"
1 78 ASP 1.753 0.154 10 0 "[ . 1 . 2]"
1 79 ALA 0.147 0.069 10 0 "[ . 1 . 2]"
1 80 ARG 1.625 0.154 10 0 "[ . 1 . 2]"
1 81 ARG 0.037 0.031 13 0 "[ . 1 . 2]"
1 82 ALA 0.075 0.075 4 0 "[ . 1 . 2]"
1 83 VAL 0.082 0.032 18 0 "[ . 1 . 2]"
1 84 ALA 0.119 0.032 18 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 PRO HA 1 6 LYS H 3.000 . 3.000 2.136 2.038 2.475 . 0 0 "[ . 1 . 2]" 1
2 1 5 PRO QB 1 6 LYS H 3.200 . 4.200 3.438 3.063 3.892 . 0 0 "[ . 1 . 2]" 1
3 1 5 PRO QB 1 7 LEU QD 5.300 . 6.300 3.035 2.105 3.939 . 0 0 "[ . 1 . 2]" 1
4 1 5 PRO QB 1 79 ALA HA 4.400 . 5.400 3.880 1.959 5.263 . 0 0 "[ . 1 . 2]" 1
5 1 5 PRO QB 1 82 ALA MB 5.200 . 6.200 2.320 1.844 3.226 . 0 0 "[ . 1 . 2]" 1
6 1 5 PRO QG 1 6 LYS H 4.400 . 5.400 4.732 4.638 4.867 . 0 0 "[ . 1 . 2]" 1
7 1 5 PRO QG 1 7 LEU QD 3.900 . 4.900 4.237 2.906 4.941 0.041 5 0 "[ . 1 . 2]" 1
8 1 5 PRO QG 1 79 ALA HA 5.500 . 6.500 5.089 3.507 6.538 0.038 13 0 "[ . 1 . 2]" 1
9 1 5 PRO QG 1 82 ALA HA 4.000 . 5.000 3.213 2.056 4.401 . 0 0 "[ . 1 . 2]" 1
10 1 5 PRO QG 1 82 ALA MB 3.600 . 4.600 2.468 1.899 3.449 . 0 0 "[ . 1 . 2]" 1
11 1 6 LYS H 1 6 LYS QB 3.400 . 4.400 2.508 2.301 3.201 . 0 0 "[ . 1 . 2]" 1
12 1 6 LYS H 1 6 LYS QG 3.800 . 4.800 2.670 2.109 4.082 . 0 0 "[ . 1 . 2]" 1
13 1 6 LYS H 1 7 LEU QD 5.400 . 6.400 4.321 3.734 4.978 . 0 0 "[ . 1 . 2]" 1
14 1 6 LYS HA 1 7 LEU H 3.000 . 3.000 2.162 2.059 2.341 . 0 0 "[ . 1 . 2]" 1
15 1 6 LYS HA 1 7 LEU QD 3.900 . 4.900 3.696 2.536 4.320 . 0 0 "[ . 1 . 2]" 1
16 1 6 LYS HA 1 7 LEU HG 5.500 . 5.500 4.138 3.376 5.559 0.059 11 0 "[ . 1 . 2]" 1
17 1 6 LYS QB 1 7 LEU H 3.600 . 4.600 3.190 2.612 3.819 . 0 0 "[ . 1 . 2]" 1
18 1 6 LYS QB 1 8 VAL H 5.300 . 6.300 4.704 3.974 5.336 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS QB 1 8 VAL HB 5.500 . 6.500 5.638 4.077 6.527 0.027 18 0 "[ . 1 . 2]" 1
20 1 6 LYS QB 1 8 VAL QG 3.300 . 4.300 3.261 2.307 4.123 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS QB 1 45 SER QB 4.900 . 5.900 3.518 1.927 5.295 . 0 0 "[ . 1 . 2]" 1
22 1 6 LYS QB 1 46 ILE H 5.500 . 6.500 4.821 3.544 6.337 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS QD 1 6 LYS QG 2.300 . 3.300 2.049 2.000 2.097 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS QD 1 7 LEU H 5.500 . 6.500 4.709 2.771 5.816 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS QE 1 8 VAL QG 5.000 . 6.000 4.959 3.348 6.034 0.034 4 0 "[ . 1 . 2]" 1
26 1 6 LYS QG 1 7 LEU H 5.100 . 6.100 4.206 2.711 4.876 . 0 0 "[ . 1 . 2]" 1
27 1 7 LEU H 1 7 LEU QB 3.400 . 4.400 2.443 2.320 2.570 . 0 0 "[ . 1 . 2]" 1
28 1 7 LEU H 1 7 LEU MD1 4.400 . 5.400 3.563 1.954 4.016 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU H 1 7 LEU QD 3.500 . 4.500 2.881 1.950 3.345 . 0 0 "[ . 1 . 2]" 1
30 1 7 LEU H 1 7 LEU MD2 4.400 . 5.400 3.257 2.069 4.149 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU H 1 7 LEU HG 4.300 . 4.300 2.857 2.247 4.078 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU H 1 8 VAL H 4.900 . 4.900 4.233 4.047 4.412 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU H 1 46 ILE QG 5.300 . 6.300 3.987 3.345 5.066 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU HA 1 7 LEU MD1 3.900 . 4.900 3.507 2.002 3.880 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU HA 1 7 LEU QD 3.100 . 4.100 2.178 1.978 3.009 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU HA 1 7 LEU MD2 3.900 . 4.900 2.425 2.066 3.805 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU HA 1 8 VAL H 3.000 . 3.000 2.117 2.048 2.192 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU HA 1 75 LEU QD 5.100 . 6.100 2.890 2.364 3.713 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU QB 1 8 VAL H 4.100 . 5.100 3.399 2.864 3.653 . 0 0 "[ . 1 . 2]" 1
40 1 7 LEU QB 1 46 ILE H 4.300 . 5.300 3.179 2.722 3.831 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU QB 1 46 ILE QG 3.500 . 4.500 2.320 1.898 3.852 . 0 0 "[ . 1 . 2]" 1
42 1 7 LEU QD 1 8 VAL H 4.800 . 5.800 3.767 3.500 4.465 . 0 0 "[ . 1 . 2]" 1
43 1 7 LEU QD 1 48 GLN HA 3.100 . 4.100 2.296 1.908 3.248 . 0 0 "[ . 1 . 2]" 1
44 1 7 LEU QD 1 48 GLN QB 4.200 . 5.200 3.171 2.410 4.426 . 0 0 "[ . 1 . 2]" 1
45 1 7 LEU QD 1 48 GLN QE 4.500 . 5.500 3.679 1.950 4.539 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU QD 1 48 GLN QG 4.100 . 5.100 3.420 2.041 4.884 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU QD 1 79 ALA H 5.100 . 6.100 4.531 3.406 5.370 . 0 0 "[ . 1 . 2]" 1
48 1 7 LEU QD 1 79 ALA HA 3.200 . 4.200 3.064 2.066 4.018 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU QD 1 79 ALA MB 2.900 . 3.900 2.088 1.817 2.906 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU QD 1 82 ALA MB 3.200 . 4.200 2.572 1.838 4.275 0.075 4 0 "[ . 1 . 2]" 1
51 1 7 LEU MD1 1 48 GLN QB 5.500 . 6.500 3.532 2.444 4.954 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU MD2 1 48 GLN QB 5.500 . 6.500 4.058 2.558 5.852 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU HG 1 48 GLN HA 4.700 . 4.700 3.779 2.216 4.745 0.045 16 0 "[ . 1 . 2]" 1
54 1 8 VAL H 1 8 VAL HB 4.000 . 4.000 2.640 2.481 3.688 . 0 0 "[ . 1 . 2]" 1
55 1 8 VAL H 1 8 VAL QG 3.000 . 4.000 2.336 1.926 2.556 . 0 0 "[ . 1 . 2]" 1
56 1 8 VAL H 1 8 VAL MG2 3.500 . 4.500 2.449 1.975 3.870 . 0 0 "[ . 1 . 2]" 1
57 1 8 VAL H 1 9 LEU H 5.500 . 5.500 4.272 4.177 4.355 . 0 0 "[ . 1 . 2]" 1
58 1 8 VAL H 1 75 LEU QD 5.400 . 6.400 2.921 2.448 3.347 . 0 0 "[ . 1 . 2]" 1
59 1 8 VAL H 1 76 ASP QB 5.500 . 6.500 4.382 2.240 5.856 . 0 0 "[ . 1 . 2]" 1
60 1 8 VAL H 1 79 ALA MB 5.000 . 6.000 4.336 3.059 5.218 . 0 0 "[ . 1 . 2]" 1
61 1 8 VAL HA 1 8 VAL MG1 3.300 . 4.300 2.426 2.308 3.238 . 0 0 "[ . 1 . 2]" 1
62 1 8 VAL HA 1 8 VAL MG2 3.300 . 4.300 2.471 2.361 3.233 . 0 0 "[ . 1 . 2]" 1
63 1 8 VAL HA 1 9 LEU H 3.100 . 3.100 2.086 2.040 2.147 . 0 0 "[ . 1 . 2]" 1
64 1 8 VAL HA 1 45 SER H 5.500 . 5.500 4.657 4.174 4.936 . 0 0 "[ . 1 . 2]" 1
65 1 8 VAL HA 1 45 SER HA 4.000 . 4.000 2.361 2.024 2.810 . 0 0 "[ . 1 . 2]" 1
66 1 8 VAL HA 1 46 ILE H 4.000 . 4.000 3.503 3.010 4.006 0.006 10 0 "[ . 1 . 2]" 1
67 1 8 VAL HA 1 46 ILE MD 5.300 . 6.300 5.193 3.802 5.898 . 0 0 "[ . 1 . 2]" 1
68 1 8 VAL HB 1 9 LEU H 5.500 . 5.500 4.212 3.577 4.333 . 0 0 "[ . 1 . 2]" 1
69 1 8 VAL HB 1 76 ASP QB 5.500 . 6.500 4.381 1.941 6.511 0.011 13 0 "[ . 1 . 2]" 1
70 1 8 VAL QG 1 9 LEU H 3.500 . 4.500 2.912 2.668 3.623 . 0 0 "[ . 1 . 2]" 1
71 1 8 VAL QG 1 10 ASP H 3.900 . 4.900 4.038 3.375 4.858 . 0 0 "[ . 1 . 2]" 1
72 1 8 VAL QG 1 10 ASP HA 4.500 . 5.500 3.841 3.293 5.135 . 0 0 "[ . 1 . 2]" 1
73 1 8 VAL QG 1 43 VAL HA 4.800 . 5.800 3.831 3.235 4.862 . 0 0 "[ . 1 . 2]" 1
74 1 8 VAL QG 1 44 LEU H 3.800 . 4.800 3.322 2.850 4.578 . 0 0 "[ . 1 . 2]" 1
75 1 8 VAL QG 1 45 SER H 4.800 . 5.800 4.241 3.488 4.818 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL QG 1 45 SER HA 3.600 . 4.600 3.048 2.359 3.482 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL QG 1 45 SER QB 3.400 . 4.400 2.969 1.981 3.824 . 0 0 "[ . 1 . 2]" 1
78 1 8 VAL QG 1 46 ILE H 3.700 . 4.700 4.280 3.616 4.586 . 0 0 "[ . 1 . 2]" 1
79 1 8 VAL MG1 1 9 LEU H 4.400 . 5.400 3.055 2.722 4.087 . 0 0 "[ . 1 . 2]" 1
80 1 8 VAL MG1 1 45 SER HA 4.300 . 5.300 3.694 2.762 4.604 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL MG2 1 9 LEU H 4.400 . 5.400 4.050 2.704 4.216 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL MG2 1 45 SER HA 4.300 . 5.300 3.338 2.486 4.666 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU H 1 9 LEU HB2 4.000 . 4.000 2.654 2.430 3.743 . 0 0 "[ . 1 . 2]" 1
84 1 9 LEU H 1 9 LEU QB 3.100 . 4.100 2.376 2.215 2.968 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU H 1 9 LEU HB3 4.000 . 4.000 2.969 2.366 3.707 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU H 1 9 LEU MD1 5.000 . 6.000 3.861 2.370 4.379 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU H 1 9 LEU QD 4.100 . 5.100 3.401 2.220 3.809 . 0 0 "[ . 1 . 2]" 1
88 1 9 LEU H 1 9 LEU MD2 5.000 . 6.000 3.954 2.245 4.299 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU H 1 9 LEU HG 4.800 . 4.800 3.862 2.242 4.643 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU H 1 10 ASP H 4.700 . 4.700 4.316 4.106 4.468 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU H 1 11 LEU MD2 5.500 . 6.500 4.943 4.587 5.263 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU H 1 44 LEU H 4.000 . 4.000 2.940 2.760 3.165 . 0 0 "[ . 1 . 2]" 1
93 1 9 LEU H 1 44 LEU HA 5.100 . 5.100 4.722 4.640 4.837 . 0 0 "[ . 1 . 2]" 1
94 1 9 LEU H 1 44 LEU HB3 3.800 . 3.800 3.561 3.141 3.783 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU H 1 45 SER HA 4.000 . 4.000 3.306 3.008 3.711 . 0 0 "[ . 1 . 2]" 1
96 1 9 LEU H 1 46 ILE H 5.100 . 5.100 3.989 3.184 4.685 . 0 0 "[ . 1 . 2]" 1
97 1 9 LEU H 1 46 ILE MG 5.500 . 6.500 4.492 3.297 5.915 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU H 1 74 VAL QG 5.400 . 6.400 5.156 4.558 6.312 . 0 0 "[ . 1 . 2]" 1
99 1 9 LEU HA 1 9 LEU QD 3.200 . 4.200 2.297 2.080 3.439 . 0 0 "[ . 1 . 2]" 1
100 1 9 LEU HA 1 10 ASP H 3.000 . 3.000 2.151 2.079 2.218 . 0 0 "[ . 1 . 2]" 1
101 1 9 LEU HA 1 44 LEU H 5.300 . 5.300 4.652 4.525 4.798 . 0 0 "[ . 1 . 2]" 1
102 1 9 LEU HA 1 74 VAL QG 4.100 . 5.100 2.937 2.268 4.219 . 0 0 "[ . 1 . 2]" 1
103 1 9 LEU QB 1 9 LEU QD 2.700 . 3.700 1.942 1.911 2.070 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU QB 1 10 ASP H 4.200 . 5.200 3.538 2.964 3.967 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU QB 1 74 VAL QG 4.600 . 5.600 3.284 1.904 4.564 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU HB2 1 10 ASP H 5.000 . 5.000 4.250 3.086 4.496 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU HB3 1 10 ASP H 5.000 . 5.000 3.854 3.050 4.412 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU QD 1 10 ASP H 4.500 . 5.500 3.340 2.578 4.346 . 0 0 "[ . 1 . 2]" 1
109 1 9 LEU QD 1 74 VAL H 5.400 . 6.400 5.355 4.534 6.399 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU QD 1 74 VAL QG 3.600 . 4.600 2.162 1.894 2.795 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU QD 1 75 LEU H 5.400 . 6.400 4.543 3.771 5.515 . 0 0 "[ . 1 . 2]" 1
112 1 10 ASP H 1 10 ASP HB2 3.600 . 3.600 2.534 2.424 2.661 . 0 0 "[ . 1 . 2]" 1
113 1 10 ASP H 1 10 ASP HB3 3.700 . 3.700 2.724 2.554 3.676 . 0 0 "[ . 1 . 2]" 1
114 1 10 ASP H 1 11 LEU H 5.000 . 5.000 4.365 4.256 4.444 . 0 0 "[ . 1 . 2]" 1
115 1 10 ASP H 1 13 ARG QB 5.300 . 6.300 4.299 3.883 4.616 . 0 0 "[ . 1 . 2]" 1
116 1 10 ASP H 1 44 LEU H 5.500 . 5.500 4.855 4.601 5.024 . 0 0 "[ . 1 . 2]" 1
117 1 10 ASP H 1 74 VAL HA 4.300 . 4.300 3.291 2.834 3.953 . 0 0 "[ . 1 . 2]" 1
118 1 10 ASP H 1 74 VAL HB 5.500 . 5.500 4.266 2.751 4.812 . 0 0 "[ . 1 . 2]" 1
119 1 10 ASP H 1 74 VAL QG 3.900 . 4.900 2.568 1.775 3.784 0.025 14 0 "[ . 1 . 2]" 1
120 1 10 ASP HA 1 11 LEU MD2 4.500 . 5.500 4.455 4.157 4.776 . 0 0 "[ . 1 . 2]" 1
121 1 10 ASP HA 1 11 LEU HG 5.500 . 5.500 3.942 3.761 4.102 . 0 0 "[ . 1 . 2]" 1
122 1 10 ASP HA 1 43 VAL HA 4.000 . 4.000 2.496 2.199 2.843 . 0 0 "[ . 1 . 2]" 1
123 1 10 ASP HA 1 43 VAL HB 5.500 . 5.500 3.693 3.392 4.353 . 0 0 "[ . 1 . 2]" 1
124 1 10 ASP HA 1 43 VAL MG1 3.600 . 4.600 2.195 1.968 2.634 . 0 0 "[ . 1 . 2]" 1
125 1 10 ASP HB2 1 13 ARG H 5.200 . 5.200 4.335 3.200 4.536 . 0 0 "[ . 1 . 2]" 1
126 1 10 ASP HB2 1 13 ARG QB 3.800 . 4.800 3.452 2.069 3.987 . 0 0 "[ . 1 . 2]" 1
127 1 10 ASP HB2 1 74 VAL HA 3.600 . 3.600 3.409 2.511 3.671 0.071 20 0 "[ . 1 . 2]" 1
128 1 10 ASP HB3 1 11 LEU H 5.500 . 5.500 4.153 3.569 4.283 . 0 0 "[ . 1 . 2]" 1
129 1 10 ASP HB3 1 12 GLU H 4.700 . 4.700 4.184 3.273 4.510 . 0 0 "[ . 1 . 2]" 1
130 1 10 ASP HB3 1 13 ARG H 5.500 . 5.500 3.144 2.280 3.426 . 0 0 "[ . 1 . 2]" 1
131 1 10 ASP HB3 1 13 ARG HA 5.100 . 5.100 4.939 4.530 5.137 0.037 9 0 "[ . 1 . 2]" 1
132 1 10 ASP HB3 1 13 ARG QB 3.600 . 4.600 2.243 2.009 2.732 . 0 0 "[ . 1 . 2]" 1
133 1 10 ASP HB3 1 74 VAL HA 4.800 . 4.800 2.693 2.091 4.669 . 0 0 "[ . 1 . 2]" 1
134 1 11 LEU H 1 11 LEU QB 3.400 . 4.400 2.440 2.363 2.497 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU H 1 11 LEU MD1 4.200 . 5.200 3.723 3.521 3.895 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU H 1 11 LEU MD2 3.800 . 4.800 3.336 3.141 3.636 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU H 1 11 LEU HG 3.300 . 3.300 2.420 2.263 2.553 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU H 1 12 GLU QB 5.500 . 6.500 4.549 4.388 4.922 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU H 1 12 GLU QG 5.300 . 6.300 3.911 3.532 4.416 . 0 0 "[ . 1 . 2]" 1
140 1 11 LEU H 1 42 LYS HA 5.500 . 5.500 4.147 3.582 4.533 . 0 0 "[ . 1 . 2]" 1
141 1 11 LEU H 1 43 VAL HA 3.600 . 3.600 2.363 2.044 2.979 . 0 0 "[ . 1 . 2]" 1
142 1 11 LEU H 1 43 VAL HB 5.400 . 5.400 4.662 4.211 5.423 0.023 5 0 "[ . 1 . 2]" 1
143 1 11 LEU H 1 43 VAL MG1 4.100 . 5.100 3.385 3.051 3.914 . 0 0 "[ . 1 . 2]" 1
144 1 11 LEU H 1 43 VAL MG2 5.500 . 6.500 5.021 4.803 5.390 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU H 1 44 LEU H 4.900 . 4.900 3.880 3.558 4.186 . 0 0 "[ . 1 . 2]" 1
146 1 11 LEU HA 1 11 LEU MD1 4.000 . 5.000 3.839 3.768 3.872 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU HA 1 11 LEU MD2 2.900 . 3.900 2.064 2.016 2.163 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU HA 1 14 LEU H 3.700 . 3.700 3.221 2.944 3.657 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU HA 1 14 LEU HB2 3.600 . 3.600 2.768 2.207 3.558 . 0 0 "[ . 1 . 2]" 1
150 1 11 LEU HA 1 14 LEU QB 3.100 . 4.100 2.175 1.992 2.554 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU HA 1 14 LEU HB3 3.600 . 3.600 2.353 2.096 3.685 0.085 17 0 "[ . 1 . 2]" 1
152 1 11 LEU HA 1 14 LEU QD 3.800 . 4.800 2.874 2.036 3.663 . 0 0 "[ . 1 . 2]" 1
153 1 11 LEU HA 1 74 VAL QG 5.400 . 6.400 3.969 3.436 4.598 . 0 0 "[ . 1 . 2]" 1
154 1 11 LEU QB 1 11 LEU MD1 2.600 . 3.600 2.089 2.063 2.110 . 0 0 "[ . 1 . 2]" 1
155 1 11 LEU QB 1 11 LEU MD2 3.000 . 4.000 2.340 2.265 2.408 . 0 0 "[ . 1 . 2]" 1
156 1 11 LEU QB 1 12 GLU H 3.300 . 4.300 2.940 2.633 3.158 . 0 0 "[ . 1 . 2]" 1
157 1 11 LEU QB 1 12 GLU QG 5.200 . 6.200 3.446 3.083 4.166 . 0 0 "[ . 1 . 2]" 1
158 1 11 LEU QB 1 42 LYS HA 5.300 . 6.300 3.307 2.779 3.586 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU QB 1 43 VAL H 5.300 . 6.300 4.410 3.913 4.887 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU HB2 1 11 LEU MD1 3.000 . 4.000 2.348 2.277 2.387 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU HB3 1 11 LEU MD1 3.000 . 4.000 2.344 2.258 2.408 . 0 0 "[ . 1 . 2]" 1
162 1 11 LEU MD1 1 12 GLU H 5.000 . 6.000 4.866 4.485 5.041 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU MD1 1 33 GLN HE21 4.500 . 5.500 3.613 2.161 5.208 . 0 0 "[ . 1 . 2]" 1
164 1 11 LEU MD1 1 33 GLN QE 3.900 . 4.900 3.080 1.915 4.219 . 0 0 "[ . 1 . 2]" 1
165 1 11 LEU MD1 1 33 GLN HE22 4.500 . 5.500 3.408 2.112 5.174 . 0 0 "[ . 1 . 2]" 1
166 1 11 LEU MD1 1 33 GLN HG2 5.500 . 6.500 3.545 2.509 4.620 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU MD1 1 33 GLN HG3 5.500 . 6.500 3.471 2.321 4.270 . 0 0 "[ . 1 . 2]" 1
168 1 11 LEU MD1 1 41 GLY H 5.500 . 6.500 3.856 2.654 4.807 . 0 0 "[ . 1 . 2]" 1
169 1 11 LEU MD1 1 43 VAL H 5.400 . 6.400 3.763 3.064 4.801 . 0 0 "[ . 1 . 2]" 1
170 1 11 LEU MD1 1 43 VAL HA 4.900 . 5.900 3.790 3.374 4.408 . 0 0 "[ . 1 . 2]" 1
171 1 11 LEU MD1 1 44 LEU HB2 3.800 . 4.800 2.109 1.950 2.359 . 0 0 "[ . 1 . 2]" 1
172 1 11 LEU MD1 1 44 LEU MD1 3.500 . 4.500 3.162 2.342 3.730 . 0 0 "[ . 1 . 2]" 1
173 1 11 LEU MD2 1 12 GLU H 5.400 . 6.400 4.669 4.549 4.805 . 0 0 "[ . 1 . 2]" 1
174 1 11 LEU MD2 1 13 ARG H 5.500 . 6.500 5.771 5.524 6.051 . 0 0 "[ . 1 . 2]" 1
175 1 11 LEU MD2 1 14 LEU H 5.500 . 6.500 4.717 4.468 5.182 . 0 0 "[ . 1 . 2]" 1
176 1 11 LEU MD2 1 14 LEU QB 4.300 . 5.300 3.127 2.842 3.698 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU MD2 1 29 ALA MB 3.100 . 4.100 2.206 1.956 2.539 . 0 0 "[ . 1 . 2]" 1
178 1 11 LEU MD2 1 43 VAL H 5.500 . 6.500 5.587 5.255 5.995 . 0 0 "[ . 1 . 2]" 1
179 1 11 LEU MD2 1 43 VAL HA 5.400 . 6.400 4.138 3.642 4.724 . 0 0 "[ . 1 . 2]" 1
180 1 11 LEU MD2 1 44 LEU H 5.100 . 6.100 3.746 3.276 4.075 . 0 0 "[ . 1 . 2]" 1
181 1 11 LEU MD2 1 44 LEU HB2 3.800 . 4.800 2.529 2.080 2.968 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU MD2 1 44 LEU HB3 3.700 . 4.700 2.608 2.296 2.915 . 0 0 "[ . 1 . 2]" 1
183 1 11 LEU MD2 1 44 LEU MD2 2.800 . 3.800 2.575 2.235 3.008 . 0 0 "[ . 1 . 2]" 1
184 1 11 LEU HG 1 12 GLU H 4.800 . 4.800 4.480 4.235 4.685 . 0 0 "[ . 1 . 2]" 1
185 1 11 LEU HG 1 43 VAL H 5.400 . 5.400 4.295 3.866 4.750 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU HG 1 43 VAL HA 3.700 . 3.700 2.732 2.290 3.444 . 0 0 "[ . 1 . 2]" 1
187 1 12 GLU H 1 12 GLU QB 3.200 . 4.200 2.443 2.236 2.884 . 0 0 "[ . 1 . 2]" 1
188 1 12 GLU H 1 12 GLU HG2 3.900 . 3.900 2.875 2.067 3.754 . 0 0 "[ . 1 . 2]" 1
189 1 12 GLU H 1 12 GLU QG 3.300 . 4.300 2.323 2.010 2.680 . 0 0 "[ . 1 . 2]" 1
190 1 12 GLU H 1 12 GLU HG3 3.900 . 3.900 2.991 2.119 3.853 . 0 0 "[ . 1 . 2]" 1
191 1 12 GLU H 1 13 ARG H 2.900 . 2.900 2.449 2.266 2.643 . 0 0 "[ . 1 . 2]" 1
192 1 12 GLU H 1 14 LEU QB 5.300 . 6.300 4.358 4.166 4.553 . 0 0 "[ . 1 . 2]" 1
193 1 12 GLU H 1 42 LYS HA 5.300 . 5.300 3.813 3.262 4.567 . 0 0 "[ . 1 . 2]" 1
194 1 12 GLU H 1 43 VAL MG1 5.500 . 6.500 4.416 4.054 4.935 . 0 0 "[ . 1 . 2]" 1
195 1 12 GLU HA 1 12 GLU HG2 3.900 . 3.900 2.777 2.356 3.711 . 0 0 "[ . 1 . 2]" 1
196 1 12 GLU HA 1 12 GLU QG 3.300 . 4.300 2.664 2.286 3.328 . 0 0 "[ . 1 . 2]" 1
197 1 12 GLU HA 1 12 GLU HG3 3.900 . 3.900 3.465 2.962 3.798 . 0 0 "[ . 1 . 2]" 1
198 1 12 GLU HA 1 15 ALA H 5.500 . 5.500 3.335 2.945 3.841 . 0 0 "[ . 1 . 2]" 1
199 1 12 GLU QB 1 13 ARG H 3.400 . 4.400 2.561 2.351 3.449 . 0 0 "[ . 1 . 2]" 1
200 1 12 GLU QB 1 14 LEU H 4.800 . 5.800 4.543 4.387 4.979 . 0 0 "[ . 1 . 2]" 1
201 1 12 GLU QB 1 15 ALA H 5.200 . 6.200 4.706 4.516 5.120 . 0 0 "[ . 1 . 2]" 1
202 1 12 GLU QB 1 15 ALA MB 5.500 . 6.500 4.127 3.734 4.747 . 0 0 "[ . 1 . 2]" 1
203 1 12 GLU QG 1 13 ARG H 4.700 . 5.700 3.889 2.285 4.215 . 0 0 "[ . 1 . 2]" 1
204 1 12 GLU QG 1 42 LYS HA 4.700 . 5.700 2.360 1.959 3.429 . 0 0 "[ . 1 . 2]" 1
205 1 12 GLU QG 1 42 LYS QB 5.200 . 6.200 3.496 2.312 4.611 . 0 0 "[ . 1 . 2]" 1
206 1 12 GLU QG 1 42 LYS QD 5.300 . 6.300 3.808 1.964 6.310 0.010 3 0 "[ . 1 . 2]" 1
207 1 12 GLU HG2 1 13 ARG H 5.400 . 5.400 4.512 3.202 5.046 . 0 0 "[ . 1 . 2]" 1
208 1 12 GLU HG2 1 42 LYS HA 5.500 . 5.500 2.939 1.976 4.431 . 0 0 "[ . 1 . 2]" 1
209 1 12 GLU HG3 1 13 ARG H 5.400 . 5.400 4.380 2.339 4.947 . 0 0 "[ . 1 . 2]" 1
210 1 12 GLU HG3 1 42 LYS HA 5.500 . 5.500 2.985 2.011 5.044 . 0 0 "[ . 1 . 2]" 1
211 1 13 ARG H 1 13 ARG QB 2.900 . 3.900 2.266 2.120 2.442 . 0 0 "[ . 1 . 2]" 1
212 1 13 ARG H 1 13 ARG QD 4.800 . 5.800 4.145 3.441 4.443 . 0 0 "[ . 1 . 2]" 1
213 1 13 ARG H 1 13 ARG QG 4.100 . 5.100 3.752 2.254 4.088 . 0 0 "[ . 1 . 2]" 1
214 1 13 ARG H 1 14 LEU H 3.400 . 3.400 2.527 2.376 2.650 . 0 0 "[ . 1 . 2]" 1
215 1 13 ARG H 1 14 LEU QB 5.000 . 6.000 4.220 4.059 4.460 . 0 0 "[ . 1 . 2]" 1
216 1 13 ARG H 1 15 ALA H 4.700 . 4.700 4.019 3.819 4.218 . 0 0 "[ . 1 . 2]" 1
217 1 13 ARG H 1 43 VAL MG1 5.500 . 6.500 5.366 5.091 5.975 . 0 0 "[ . 1 . 2]" 1
218 1 13 ARG H 1 74 VAL MG1 5.500 . 6.500 4.514 3.920 6.310 . 0 0 "[ . 1 . 2]" 1
219 1 13 ARG H 1 74 VAL QG 4.700 . 5.700 4.040 3.880 4.273 . 0 0 "[ . 1 . 2]" 1
220 1 13 ARG H 1 74 VAL MG2 5.500 . 6.500 4.896 4.345 6.504 0.004 10 0 "[ . 1 . 2]" 1
221 1 13 ARG HA 1 13 ARG QD 3.100 . 4.100 2.102 1.889 2.952 . 0 0 "[ . 1 . 2]" 1
222 1 13 ARG HA 1 13 ARG QG 3.100 . 4.100 2.895 2.552 3.108 . 0 0 "[ . 1 . 2]" 1
223 1 13 ARG HA 1 15 ALA H 5.500 . 5.500 4.071 3.726 4.453 . 0 0 "[ . 1 . 2]" 1
224 1 13 ARG HA 1 16 THR H 4.200 . 4.200 3.397 3.075 3.817 . 0 0 "[ . 1 . 2]" 1
225 1 13 ARG HA 1 16 THR MG 4.400 . 5.400 3.963 3.241 4.600 . 0 0 "[ . 1 . 2]" 1
226 1 13 ARG QB 1 13 ARG QD 3.200 . 4.200 2.501 2.239 2.801 . 0 0 "[ . 1 . 2]" 1
227 1 13 ARG QB 1 14 LEU H 3.300 . 4.300 2.637 2.366 2.843 . 0 0 "[ . 1 . 2]" 1
228 1 13 ARG QB 1 15 ALA H 5.200 . 6.200 4.651 4.467 4.833 . 0 0 "[ . 1 . 2]" 1
229 1 13 ARG QB 1 16 THR MG 4.900 . 5.900 5.318 4.780 5.937 0.037 14 0 "[ . 1 . 2]" 1
230 1 13 ARG QB 1 74 VAL H 5.500 . 6.500 4.684 3.766 5.259 . 0 0 "[ . 1 . 2]" 1
231 1 13 ARG QB 1 74 VAL HA 3.400 . 4.400 2.642 2.168 3.146 . 0 0 "[ . 1 . 2]" 1
232 1 13 ARG QB 1 74 VAL MG1 4.100 . 5.100 2.974 1.797 4.233 0.003 15 0 "[ . 1 . 2]" 1
233 1 13 ARG QB 1 74 VAL QG 3.300 . 4.300 2.341 1.794 2.875 0.006 15 0 "[ . 1 . 2]" 1
234 1 13 ARG QB 1 74 VAL MG2 4.100 . 5.100 2.902 2.052 4.800 . 0 0 "[ . 1 . 2]" 1
235 1 13 ARG QD 1 14 LEU H 5.500 . 6.500 4.782 4.507 5.182 . 0 0 "[ . 1 . 2]" 1
236 1 13 ARG QD 1 15 ALA H 5.400 . 6.400 5.619 5.174 6.444 0.044 12 0 "[ . 1 . 2]" 1
237 1 13 ARG QD 1 16 THR MG 5.300 . 6.300 3.773 2.754 5.064 . 0 0 "[ . 1 . 2]" 1
238 1 13 ARG QD 1 74 VAL MG1 5.500 . 6.500 5.195 3.903 6.033 . 0 0 "[ . 1 . 2]" 1
239 1 13 ARG QD 1 74 VAL MG2 5.500 . 6.500 4.486 3.434 6.311 . 0 0 "[ . 1 . 2]" 1
240 1 13 ARG QG 1 14 LEU H 4.600 . 5.600 3.903 3.603 4.551 . 0 0 "[ . 1 . 2]" 1
241 1 13 ARG QG 1 16 THR H 4.600 . 5.600 4.846 4.454 5.674 0.074 15 0 "[ . 1 . 2]" 1
242 1 13 ARG QG 1 74 VAL H 5.500 . 6.500 4.018 3.515 5.597 . 0 0 "[ . 1 . 2]" 1
243 1 13 ARG QG 1 74 VAL HA 3.500 . 4.500 2.919 2.443 3.484 . 0 0 "[ . 1 . 2]" 1
244 1 13 ARG QG 1 74 VAL MG1 3.700 . 4.700 3.706 2.324 4.728 0.028 7 0 "[ . 1 . 2]" 1
245 1 13 ARG QG 1 74 VAL MG2 3.700 . 4.700 3.047 1.970 4.870 0.170 15 0 "[ . 1 . 2]" 1
246 1 14 LEU H 1 14 LEU HB2 3.500 . 3.500 2.424 2.141 2.558 . 0 0 "[ . 1 . 2]" 1
247 1 14 LEU H 1 14 LEU QB 3.000 . 4.000 2.199 2.084 2.245 . 0 0 "[ . 1 . 2]" 1
248 1 14 LEU H 1 14 LEU HB3 3.500 . 3.500 2.579 2.429 3.535 0.035 17 0 "[ . 1 . 2]" 1
249 1 14 LEU H 1 14 LEU MD1 4.700 . 5.700 4.070 3.740 4.329 . 0 0 "[ . 1 . 2]" 1
250 1 14 LEU H 1 14 LEU QD 4.000 . 5.000 3.639 3.193 3.716 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU H 1 14 LEU MD2 4.700 . 5.700 4.125 3.465 4.241 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU H 1 15 ALA H 3.500 . 3.500 2.647 2.583 2.815 . 0 0 "[ . 1 . 2]" 1
253 1 14 LEU H 1 16 THR H 5.500 . 5.500 4.022 3.826 4.245 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU H 1 17 VAL QG 5.400 . 6.400 4.192 4.002 4.454 . 0 0 "[ . 1 . 2]" 1
255 1 14 LEU H 1 74 VAL MG1 4.300 . 5.300 3.243 2.671 5.238 . 0 0 "[ . 1 . 2]" 1
256 1 14 LEU H 1 74 VAL QG 3.400 . 4.400 2.865 2.616 3.619 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU H 1 74 VAL MG2 4.300 . 5.300 3.564 2.960 5.034 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU HA 1 14 LEU QD 3.200 . 4.200 2.078 1.947 2.183 . 0 0 "[ . 1 . 2]" 1
259 1 14 LEU HA 1 16 THR H 4.700 . 4.700 3.865 3.466 4.212 . 0 0 "[ . 1 . 2]" 1
260 1 14 LEU HA 1 17 VAL H 5.200 . 5.200 3.484 3.162 3.807 . 0 0 "[ . 1 . 2]" 1
261 1 14 LEU HA 1 17 VAL QG 3.200 . 4.200 2.398 2.078 2.861 . 0 0 "[ . 1 . 2]" 1
262 1 14 LEU HA 1 74 VAL MG1 3.600 . 4.600 3.194 1.962 4.556 . 0 0 "[ . 1 . 2]" 1
263 1 14 LEU HA 1 74 VAL QG 3.000 . 4.000 2.414 1.956 3.903 . 0 0 "[ . 1 . 2]" 1
264 1 14 LEU HA 1 74 VAL MG2 3.600 . 4.600 2.847 2.231 4.244 . 0 0 "[ . 1 . 2]" 1
265 1 14 LEU QB 1 15 ALA H 3.700 . 4.700 2.702 2.509 3.153 . 0 0 "[ . 1 . 2]" 1
266 1 14 LEU QB 1 74 VAL QG 3.900 . 4.900 2.429 2.034 3.644 . 0 0 "[ . 1 . 2]" 1
267 1 14 LEU QD 1 15 ALA H 4.500 . 5.500 3.991 3.624 4.367 . 0 0 "[ . 1 . 2]" 1
268 1 14 LEU QD 1 15 ALA HA 5.200 . 6.200 4.309 3.468 5.177 . 0 0 "[ . 1 . 2]" 1
269 1 14 LEU QD 1 16 THR H 5.400 . 6.400 4.875 4.323 5.159 . 0 0 "[ . 1 . 2]" 1
270 1 14 LEU QD 1 17 VAL H 3.900 . 4.900 4.202 3.706 4.528 . 0 0 "[ . 1 . 2]" 1
271 1 14 LEU QD 1 17 VAL HB 4.500 . 5.500 2.945 2.487 4.665 . 0 0 "[ . 1 . 2]" 1
272 1 14 LEU QD 1 17 VAL QG 3.100 . 4.100 2.714 2.315 3.239 . 0 0 "[ . 1 . 2]" 1
273 1 14 LEU QD 1 22 ALA HA 3.900 . 4.900 2.949 2.196 3.574 . 0 0 "[ . 1 . 2]" 1
274 1 14 LEU QD 1 26 GLN HA 3.500 . 4.500 2.684 2.196 3.584 . 0 0 "[ . 1 . 2]" 1
275 1 14 LEU QD 1 26 GLN HE21 4.400 . 5.400 3.469 2.764 3.945 . 0 0 "[ . 1 . 2]" 1
276 1 14 LEU QD 1 26 GLN HE22 5.400 . 6.400 4.166 2.791 4.970 . 0 0 "[ . 1 . 2]" 1
277 1 14 LEU QD 1 26 GLN QG 3.000 . 4.000 2.494 1.887 3.718 . 0 0 "[ . 1 . 2]" 1
278 1 14 LEU QD 1 29 ALA H 5.400 . 6.400 4.429 3.931 5.768 . 0 0 "[ . 1 . 2]" 1
279 1 14 LEU QD 1 72 TRP HE3 4.900 . 5.900 3.168 2.500 3.670 . 0 0 "[ . 1 . 2]" 1
280 1 14 LEU QD 1 72 TRP HZ3 4.700 . 5.700 3.099 2.555 3.728 . 0 0 "[ . 1 . 2]" 1
281 1 14 LEU MD1 1 15 ALA H 5.200 . 6.200 4.526 3.781 5.117 . 0 0 "[ . 1 . 2]" 1
282 1 14 LEU MD1 1 26 GLN H 5.500 . 6.500 3.988 3.124 4.689 . 0 0 "[ . 1 . 2]" 1
283 1 14 LEU MD1 1 26 GLN HE21 5.500 . 6.500 3.965 2.777 5.021 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU MD2 1 15 ALA H 5.200 . 6.200 4.474 4.168 4.736 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU MD2 1 26 GLN H 5.500 . 6.500 3.770 2.936 5.392 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU MD2 1 26 GLN HE21 5.500 . 6.500 4.194 2.939 6.125 . 0 0 "[ . 1 . 2]" 1
287 1 14 LEU HG 1 15 ALA H 5.500 . 5.500 4.141 3.655 5.136 . 0 0 "[ . 1 . 2]" 1
288 1 14 LEU HG 1 22 ALA MB 4.700 . 5.700 2.891 2.312 4.393 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU HG 1 26 GLN HE21 5.500 . 5.500 3.317 1.823 5.525 0.025 20 0 "[ . 1 . 2]" 1
290 1 15 ALA H 1 15 ALA MB 2.900 . 3.900 2.246 2.230 2.265 . 0 0 "[ . 1 . 2]" 1
291 1 15 ALA H 1 16 THR H 3.600 . 3.600 2.554 2.357 2.785 . 0 0 "[ . 1 . 2]" 1
292 1 15 ALA H 1 16 THR HA 5.500 . 5.500 5.136 4.966 5.313 . 0 0 "[ . 1 . 2]" 1
293 1 15 ALA H 1 16 THR MG 5.000 . 6.000 5.213 4.181 5.896 . 0 0 "[ . 1 . 2]" 1
294 1 15 ALA H 1 17 VAL QG 5.300 . 6.300 4.441 4.208 4.737 . 0 0 "[ . 1 . 2]" 1
295 1 15 ALA H 1 26 GLN HE21 5.500 . 5.500 4.386 3.545 5.314 . 0 0 "[ . 1 . 2]" 1
296 1 15 ALA H 1 26 GLN HE22 5.500 . 5.500 4.590 3.080 5.511 0.011 11 0 "[ . 1 . 2]" 1
297 1 15 ALA H 1 74 VAL QG 5.400 . 6.400 4.566 4.294 5.591 . 0 0 "[ . 1 . 2]" 1
298 1 15 ALA HA 1 17 VAL H 4.300 . 4.300 3.759 3.452 4.301 0.001 15 0 "[ . 1 . 2]" 1
299 1 15 ALA HA 1 22 ALA MB 5.500 . 6.500 4.252 3.371 4.758 . 0 0 "[ . 1 . 2]" 1
300 1 15 ALA HA 1 26 GLN HE21 4.600 . 4.600 2.722 1.932 3.883 . 0 0 "[ . 1 . 2]" 1
301 1 15 ALA HA 1 26 GLN HE22 5.500 . 5.500 2.666 1.907 4.671 . 0 0 "[ . 1 . 2]" 1
302 1 15 ALA MB 1 16 THR H 3.800 . 4.800 2.999 2.733 3.296 . 0 0 "[ . 1 . 2]" 1
303 1 15 ALA MB 1 26 GLN HE21 5.500 . 6.500 3.726 2.651 4.688 . 0 0 "[ . 1 . 2]" 1
304 1 15 ALA MB 1 26 GLN HE22 5.500 . 6.500 3.388 2.449 4.069 . 0 0 "[ . 1 . 2]" 1
305 1 16 THR H 1 16 THR HB 4.100 . 4.100 2.986 2.438 3.728 . 0 0 "[ . 1 . 2]" 1
306 1 16 THR H 1 16 THR MG 3.500 . 4.500 3.365 2.600 3.834 . 0 0 "[ . 1 . 2]" 1
307 1 16 THR H 1 17 VAL H 3.100 . 3.100 2.321 2.157 2.613 . 0 0 "[ . 1 . 2]" 1
308 1 16 THR H 1 17 VAL QG 4.400 . 5.400 3.405 3.006 3.716 . 0 0 "[ . 1 . 2]" 1
309 1 16 THR H 1 74 VAL QG 5.400 . 6.400 4.831 4.402 6.360 . 0 0 "[ . 1 . 2]" 1
310 1 16 THR HA 1 16 THR MG 3.300 . 4.300 2.310 2.187 2.439 . 0 0 "[ . 1 . 2]" 1
311 1 16 THR HB 1 17 VAL H 5.500 . 5.500 3.632 2.781 4.357 . 0 0 "[ . 1 . 2]" 1
312 1 16 THR HB 1 17 VAL QG 5.400 . 6.400 3.799 3.016 4.563 . 0 0 "[ . 1 . 2]" 1
313 1 16 THR MG 1 17 VAL H 4.600 . 5.600 4.170 3.780 4.371 . 0 0 "[ . 1 . 2]" 1
314 1 17 VAL H 1 17 VAL HB 3.100 . 3.100 2.518 2.406 2.862 . 0 0 "[ . 1 . 2]" 1
315 1 17 VAL H 1 17 VAL MG1 3.900 . 4.900 3.698 2.008 3.840 . 0 0 "[ . 1 . 2]" 1
316 1 17 VAL H 1 17 VAL QG 3.100 . 4.100 2.295 1.991 2.522 . 0 0 "[ . 1 . 2]" 1
317 1 17 VAL H 1 17 VAL MG2 3.900 . 4.900 2.406 1.998 3.822 . 0 0 "[ . 1 . 2]" 1
318 1 17 VAL H 1 18 PRO HD2 5.500 . 5.500 4.947 4.699 5.224 . 0 0 "[ . 1 . 2]" 1
319 1 17 VAL H 1 18 PRO QD 4.800 . 5.800 4.320 4.235 4.381 . 0 0 "[ . 1 . 2]" 1
320 1 17 VAL H 1 18 PRO HD3 5.500 . 5.500 4.792 4.598 5.206 . 0 0 "[ . 1 . 2]" 1
321 1 17 VAL H 1 22 ALA MB 4.500 . 5.500 3.808 3.294 4.242 . 0 0 "[ . 1 . 2]" 1
322 1 17 VAL HA 1 18 PRO HD2 3.500 . 3.500 2.270 1.995 2.567 . 0 0 "[ . 1 . 2]" 1
323 1 17 VAL HA 1 18 PRO QD 3.000 . 4.000 1.984 1.900 2.041 . 0 0 "[ . 1 . 2]" 1
324 1 17 VAL HA 1 18 PRO HD3 3.500 . 3.500 2.277 2.013 2.754 . 0 0 "[ . 1 . 2]" 1
325 1 17 VAL HA 1 18 PRO QG 4.300 . 5.300 3.890 3.795 3.953 . 0 0 "[ . 1 . 2]" 1
326 1 17 VAL HB 1 22 ALA MB 4.300 . 5.300 2.269 1.928 4.482 . 0 0 "[ . 1 . 2]" 1
327 1 17 VAL QG 1 18 PRO QD 3.200 . 4.200 2.103 1.981 2.225 . 0 0 "[ . 1 . 2]" 1
328 1 17 VAL QG 1 18 PRO QG 4.600 . 5.600 3.419 2.731 3.805 . 0 0 "[ . 1 . 2]" 1
329 1 17 VAL QG 1 21 LYS H 5.400 . 6.400 3.861 3.535 4.579 . 0 0 "[ . 1 . 2]" 1
330 1 17 VAL QG 1 21 LYS HB2 3.800 . 4.800 2.634 1.958 3.469 . 0 0 "[ . 1 . 2]" 1
331 1 17 VAL QG 1 21 LYS HB3 4.200 . 5.200 3.605 2.920 4.595 . 0 0 "[ . 1 . 2]" 1
332 1 17 VAL QG 1 21 LYS QE 5.400 . 6.400 4.448 3.366 5.163 . 0 0 "[ . 1 . 2]" 1
333 1 17 VAL QG 1 21 LYS QG 4.800 . 5.800 3.985 2.845 4.726 . 0 0 "[ . 1 . 2]" 1
334 1 17 VAL QG 1 22 ALA H 4.100 . 5.100 3.016 2.606 3.606 . 0 0 "[ . 1 . 2]" 1
335 1 17 VAL QG 1 22 ALA HA 5.200 . 6.200 3.796 3.320 4.087 . 0 0 "[ . 1 . 2]" 1
336 1 17 VAL QG 1 22 ALA MB 3.100 . 4.100 2.181 1.990 2.561 . 0 0 "[ . 1 . 2]" 1
337 1 17 VAL QG 1 72 TRP H 5.400 . 6.400 4.768 4.584 5.242 . 0 0 "[ . 1 . 2]" 1
338 1 17 VAL QG 1 72 TRP HA 5.000 . 6.000 3.706 3.225 4.387 . 0 0 "[ . 1 . 2]" 1
339 1 17 VAL QG 1 72 TRP HB2 4.400 . 5.400 3.114 2.898 3.603 . 0 0 "[ . 1 . 2]" 1
340 1 17 VAL QG 1 72 TRP HB3 3.600 . 4.600 2.142 1.965 2.736 . 0 0 "[ . 1 . 2]" 1
341 1 17 VAL QG 1 72 TRP HE1 5.400 . 6.400 3.910 3.380 4.319 . 0 0 "[ . 1 . 2]" 1
342 1 17 VAL QG 1 72 TRP HZ3 5.400 . 6.400 3.680 2.885 4.541 . 0 0 "[ . 1 . 2]" 1
343 1 17 VAL QG 1 74 VAL H 5.400 . 6.400 4.681 4.338 5.604 . 0 0 "[ . 1 . 2]" 1
344 1 17 VAL QG 1 74 VAL QG 4.600 . 5.600 2.341 2.044 3.311 . 0 0 "[ . 1 . 2]" 1
345 1 17 VAL MG1 1 18 PRO HD2 5.500 . 6.500 2.246 2.020 4.037 . 0 0 "[ . 1 . 2]" 1
346 1 17 VAL MG1 1 18 PRO HD3 5.500 . 6.500 3.482 3.247 4.923 . 0 0 "[ . 1 . 2]" 1
347 1 17 VAL MG1 1 22 ALA H 5.300 . 6.300 3.048 2.615 3.969 . 0 0 "[ . 1 . 2]" 1
348 1 17 VAL MG1 1 22 ALA MB 3.800 . 4.800 2.212 2.017 2.615 . 0 0 "[ . 1 . 2]" 1
349 1 17 VAL MG2 1 18 PRO HD2 5.500 . 6.500 3.590 2.000 3.983 . 0 0 "[ . 1 . 2]" 1
350 1 17 VAL MG2 1 18 PRO HD3 5.500 . 6.500 4.179 3.465 4.637 . 0 0 "[ . 1 . 2]" 1
351 1 17 VAL MG2 1 22 ALA H 5.300 . 6.300 5.351 4.139 5.877 . 0 0 "[ . 1 . 2]" 1
352 1 17 VAL MG2 1 22 ALA MB 3.800 . 4.800 3.339 3.061 3.666 . 0 0 "[ . 1 . 2]" 1
353 1 18 PRO HA 1 19 ALA H 3.200 . 3.200 2.152 2.084 2.302 . 0 0 "[ . 1 . 2]" 1
354 1 18 PRO HA 1 19 ALA MB 4.200 . 5.200 3.969 3.929 4.051 . 0 0 "[ . 1 . 2]" 1
355 1 18 PRO HA 1 20 GLU H 5.500 . 5.500 3.890 3.544 4.362 . 0 0 "[ . 1 . 2]" 1
356 1 18 PRO HB2 1 19 ALA MB 4.500 . 5.500 4.991 4.238 5.444 . 0 0 "[ . 1 . 2]" 1
357 1 18 PRO HB2 1 22 ALA H 5.500 . 5.500 4.329 3.779 5.048 . 0 0 "[ . 1 . 2]" 1
358 1 18 PRO QG 1 19 ALA H 5.500 . 6.500 4.522 4.305 4.756 . 0 0 "[ . 1 . 2]" 1
359 1 18 PRO QG 1 21 LYS H 4.600 . 5.600 4.729 3.399 5.389 . 0 0 "[ . 1 . 2]" 1
360 1 18 PRO QG 1 21 LYS QD 4.900 . 5.900 4.024 2.918 5.807 . 0 0 "[ . 1 . 2]" 1
361 1 18 PRO QG 1 21 LYS QG 3.900 . 4.900 4.258 2.508 4.918 0.018 19 0 "[ . 1 . 2]" 1
362 1 18 PRO QG 1 22 ALA H 5.400 . 6.400 5.412 4.246 5.803 . 0 0 "[ . 1 . 2]" 1
363 1 19 ALA H 1 19 ALA MB 3.400 . 4.400 2.226 2.202 2.255 . 0 0 "[ . 1 . 2]" 1
364 1 19 ALA H 1 20 GLU H 5.500 . 5.500 2.695 2.507 2.928 . 0 0 "[ . 1 . 2]" 1
365 1 19 ALA H 1 23 GLY H 5.500 . 5.500 5.098 4.823 5.427 . 0 0 "[ . 1 . 2]" 1
366 1 19 ALA HA 1 21 LYS H 5.500 . 5.500 3.784 3.499 4.242 . 0 0 "[ . 1 . 2]" 1
367 1 19 ALA HA 1 22 ALA H 3.600 . 3.600 3.224 2.808 3.525 . 0 0 "[ . 1 . 2]" 1
368 1 19 ALA HA 1 22 ALA MB 3.600 . 4.600 3.091 2.038 3.745 . 0 0 "[ . 1 . 2]" 1
369 1 19 ALA HA 1 23 GLY H 3.700 . 3.700 2.610 2.231 3.042 . 0 0 "[ . 1 . 2]" 1
370 1 19 ALA MB 1 20 GLU H 4.200 . 5.200 2.897 2.612 3.044 . 0 0 "[ . 1 . 2]" 1
371 1 19 ALA MB 1 22 ALA H 5.500 . 6.500 4.612 4.285 4.858 . 0 0 "[ . 1 . 2]" 1
372 1 19 ALA MB 1 23 GLY H 4.500 . 5.500 3.723 3.417 4.065 . 0 0 "[ . 1 . 2]" 1
373 1 20 GLU H 1 20 GLU QB 3.600 . 4.600 2.505 2.226 2.905 . 0 0 "[ . 1 . 2]" 1
374 1 20 GLU H 1 20 GLU QG 4.700 . 5.700 2.459 1.818 4.105 . 0 0 "[ . 1 . 2]" 1
375 1 20 GLU H 1 21 LYS H 4.400 . 4.400 2.688 2.417 2.874 . 0 0 "[ . 1 . 2]" 1
376 1 20 GLU HA 1 20 GLU QG 3.500 . 4.500 2.780 2.356 3.534 . 0 0 "[ . 1 . 2]" 1
377 1 20 GLU QB 1 21 LYS H 4.400 . 5.400 2.864 2.230 3.770 . 0 0 "[ . 1 . 2]" 1
378 1 20 GLU QB 1 22 ALA H 5.300 . 6.300 4.749 4.245 5.561 . 0 0 "[ . 1 . 2]" 1
379 1 20 GLU HB2 1 21 LYS H 5.100 . 5.100 3.074 2.251 4.067 . 0 0 "[ . 1 . 2]" 1
380 1 20 GLU HB3 1 21 LYS H 5.100 . 5.100 3.773 2.715 4.458 . 0 0 "[ . 1 . 2]" 1
381 1 20 GLU QG 1 21 LYS H 4.900 . 5.900 3.877 1.886 4.531 . 0 0 "[ . 1 . 2]" 1
382 1 21 LYS H 1 21 LYS HB2 3.300 . 3.300 2.601 2.398 2.727 . 0 0 "[ . 1 . 2]" 1
383 1 21 LYS H 1 21 LYS HB3 3.900 . 3.900 3.727 3.613 3.823 . 0 0 "[ . 1 . 2]" 1
384 1 21 LYS H 1 22 ALA H 3.200 . 3.200 2.101 1.858 2.352 . 0 0 "[ . 1 . 2]" 1
385 1 21 LYS H 1 22 ALA MB 4.800 . 5.800 3.937 3.648 4.181 . 0 0 "[ . 1 . 2]" 1
386 1 21 LYS H 1 23 GLY H 5.000 . 5.000 3.386 3.057 3.727 . 0 0 "[ . 1 . 2]" 1
387 1 21 LYS HA 1 21 LYS QD 4.600 . 5.600 4.005 3.158 4.256 . 0 0 "[ . 1 . 2]" 1
388 1 21 LYS HA 1 21 LYS QE 5.500 . 6.500 4.537 1.846 5.250 . 0 0 "[ . 1 . 2]" 1
389 1 21 LYS HA 1 21 LYS QG 3.700 . 4.700 2.503 2.398 2.996 . 0 0 "[ . 1 . 2]" 1
390 1 21 LYS HB2 1 22 ALA H 3.300 . 3.300 2.627 2.260 3.091 . 0 0 "[ . 1 . 2]" 1
391 1 21 LYS HB2 1 72 TRP HZ2 4.000 . 4.000 3.793 3.281 4.033 0.033 12 0 "[ . 1 . 2]" 1
392 1 21 LYS HB3 1 21 LYS QE 4.700 . 5.700 3.632 1.983 4.189 . 0 0 "[ . 1 . 2]" 1
393 1 21 LYS HB3 1 22 ALA H 5.400 . 5.400 3.687 3.347 4.035 . 0 0 "[ . 1 . 2]" 1
394 1 21 LYS HB3 1 22 ALA HA 5.500 . 5.500 4.384 4.168 4.586 . 0 0 "[ . 1 . 2]" 1
395 1 21 LYS HB3 1 72 TRP HH2 5.500 . 5.500 3.002 2.497 3.832 . 0 0 "[ . 1 . 2]" 1
396 1 21 LYS HB3 1 72 TRP HZ2 3.900 . 3.900 2.627 1.954 3.104 . 0 0 "[ . 1 . 2]" 1
397 1 21 LYS QD 1 22 ALA H 4.700 . 5.700 4.764 4.251 5.605 . 0 0 "[ . 1 . 2]" 1
398 1 21 LYS QD 1 72 TRP HE1 4.100 . 5.100 2.974 2.177 3.930 . 0 0 "[ . 1 . 2]" 1
399 1 21 LYS QD 1 72 TRP HZ2 5.300 . 6.300 2.549 1.961 4.051 . 0 0 "[ . 1 . 2]" 1
400 1 21 LYS HD2 1 72 TRP HE1 4.800 . 4.800 3.852 2.897 4.822 0.022 19 0 "[ . 1 . 2]" 1
401 1 21 LYS HD3 1 72 TRP HE1 4.800 . 4.800 3.168 2.250 4.822 0.022 1 0 "[ . 1 . 2]" 1
402 1 21 LYS QE 1 21 LYS QG 3.000 . 4.000 2.291 2.108 2.717 . 0 0 "[ . 1 . 2]" 1
403 1 21 LYS QG 1 22 ALA H 5.500 . 6.500 4.019 3.679 4.288 . 0 0 "[ . 1 . 2]" 1
404 1 21 LYS QG 1 72 TRP HZ2 5.500 . 6.500 3.822 3.181 4.423 . 0 0 "[ . 1 . 2]" 1
405 1 22 ALA H 1 22 ALA MB 3.100 . 4.100 2.280 2.222 2.355 . 0 0 "[ . 1 . 2]" 1
406 1 22 ALA H 1 23 GLY H 3.500 . 3.500 2.437 2.298 2.589 . 0 0 "[ . 1 . 2]" 1
407 1 22 ALA HA 1 25 LEU H 4.000 . 4.000 3.556 3.282 3.795 . 0 0 "[ . 1 . 2]" 1
408 1 22 ALA HA 1 25 LEU QB 5.300 . 6.300 2.505 2.118 3.029 . 0 0 "[ . 1 . 2]" 1
409 1 22 ALA HA 1 25 LEU MD1 4.800 . 5.800 4.666 2.854 5.636 . 0 0 "[ . 1 . 2]" 1
410 1 22 ALA HA 1 25 LEU QD 4.200 . 5.200 3.158 2.687 3.863 . 0 0 "[ . 1 . 2]" 1
411 1 22 ALA HA 1 25 LEU MD2 4.800 . 5.800 3.479 2.703 4.631 . 0 0 "[ . 1 . 2]" 1
412 1 22 ALA HA 1 25 LEU HG 5.500 . 5.500 4.626 3.553 5.330 . 0 0 "[ . 1 . 2]" 1
413 1 22 ALA HA 1 26 GLN H 4.200 . 4.200 4.092 3.882 4.237 0.037 10 0 "[ . 1 . 2]" 1
414 1 22 ALA HA 1 72 TRP HH2 5.000 . 5.000 4.212 3.429 5.009 0.009 13 0 "[ . 1 . 2]" 1
415 1 22 ALA HA 1 72 TRP HZ3 4.700 . 4.700 3.977 3.209 4.407 . 0 0 "[ . 1 . 2]" 1
416 1 22 ALA MB 1 23 GLY H 4.000 . 5.000 3.128 2.621 3.351 . 0 0 "[ . 1 . 2]" 1
417 1 22 ALA MB 1 25 LEU H 5.500 . 6.500 4.443 4.291 4.660 . 0 0 "[ . 1 . 2]" 1
418 1 22 ALA MB 1 25 LEU QB 5.300 . 6.300 3.300 2.955 4.038 . 0 0 "[ . 1 . 2]" 1
419 1 22 ALA MB 1 26 GLN H 4.000 . 5.000 3.858 3.564 4.214 . 0 0 "[ . 1 . 2]" 1
420 1 22 ALA MB 1 26 GLN HA 5.500 . 6.500 4.991 4.583 5.424 . 0 0 "[ . 1 . 2]" 1
421 1 22 ALA MB 1 26 GLN HB2 5.500 . 6.500 4.587 4.318 5.427 . 0 0 "[ . 1 . 2]" 1
422 1 22 ALA MB 1 26 GLN HE21 4.000 . 5.000 3.226 2.033 4.747 . 0 0 "[ . 1 . 2]" 1
423 1 22 ALA MB 1 26 GLN HE22 5.300 . 6.300 4.002 2.655 5.047 . 0 0 "[ . 1 . 2]" 1
424 1 22 ALA MB 1 26 GLN HG2 4.100 . 5.100 3.447 2.577 4.500 . 0 0 "[ . 1 . 2]" 1
425 1 22 ALA MB 1 26 GLN QG 3.300 . 4.300 2.674 2.249 3.341 . 0 0 "[ . 1 . 2]" 1
426 1 22 ALA MB 1 26 GLN HG3 4.100 . 5.100 3.003 2.299 4.451 . 0 0 "[ . 1 . 2]" 1
427 1 22 ALA MB 1 72 TRP HH2 5.500 . 6.500 4.634 3.267 5.761 . 0 0 "[ . 1 . 2]" 1
428 1 22 ALA MB 1 72 TRP HZ3 5.500 . 6.500 4.003 2.531 5.207 . 0 0 "[ . 1 . 2]" 1
429 1 23 GLY H 1 24 PRO QD 3.700 . 4.700 2.524 2.201 2.889 . 0 0 "[ . 1 . 2]" 1
430 1 23 GLY H 1 24 PRO QG 5.500 . 6.500 4.432 3.957 4.851 . 0 0 "[ . 1 . 2]" 1
431 1 23 GLY H 1 26 GLN H 5.500 . 5.500 4.691 4.569 4.840 . 0 0 "[ . 1 . 2]" 1
432 1 23 GLY QA 1 26 GLN HB2 5.300 . 6.300 3.108 2.477 3.813 . 0 0 "[ . 1 . 2]" 1
433 1 23 GLY QA 1 26 GLN QG 5.200 . 6.200 3.452 2.279 3.999 . 0 0 "[ . 1 . 2]" 1
434 1 24 PRO HA 1 27 ARG H 5.200 . 5.200 3.500 3.137 3.818 . 0 0 "[ . 1 . 2]" 1
435 1 24 PRO HA 1 58 TYR HE1 5.500 . 5.500 4.534 4.014 5.518 0.018 20 0 "[ . 1 . 2]" 1
436 1 24 PRO QB 1 25 LEU H 3.700 . 4.700 3.003 2.536 3.394 . 0 0 "[ . 1 . 2]" 1
437 1 24 PRO QB 1 58 TYR HE1 4.400 . 5.400 2.058 1.854 2.780 . 0 0 "[ . 1 . 2]" 1
438 1 24 PRO HB2 1 57 ILE MG 4.100 . 5.100 3.550 2.163 4.516 . 0 0 "[ . 1 . 2]" 1
439 1 24 PRO HB3 1 57 ILE MG 4.100 . 5.100 3.770 2.717 4.572 . 0 0 "[ . 1 . 2]" 1
440 1 24 PRO QD 1 25 LEU H 4.000 . 5.000 2.737 2.395 3.252 . 0 0 "[ . 1 . 2]" 1
441 1 24 PRO QG 1 58 TYR HE1 5.500 . 6.500 3.272 2.095 4.122 . 0 0 "[ . 1 . 2]" 1
442 1 25 LEU H 1 25 LEU HB2 3.300 . 3.300 2.597 2.321 2.797 . 0 0 "[ . 1 . 2]" 1
443 1 25 LEU H 1 25 LEU QB 2.900 . 3.900 2.229 2.170 2.291 . 0 0 "[ . 1 . 2]" 1
444 1 25 LEU H 1 25 LEU HB3 3.300 . 3.300 2.458 2.355 2.701 . 0 0 "[ . 1 . 2]" 1
445 1 25 LEU H 1 25 LEU MD1 5.000 . 6.000 4.204 4.138 4.272 . 0 0 "[ . 1 . 2]" 1
446 1 25 LEU H 1 25 LEU QD 4.300 . 5.300 3.767 3.718 3.818 . 0 0 "[ . 1 . 2]" 1
447 1 25 LEU H 1 25 LEU MD2 5.000 . 6.000 4.255 4.109 4.315 . 0 0 "[ . 1 . 2]" 1
448 1 25 LEU H 1 26 GLN H 3.500 . 3.500 2.516 2.382 2.685 . 0 0 "[ . 1 . 2]" 1
449 1 25 LEU H 1 27 ARG H 5.500 . 5.500 3.856 3.727 4.200 . 0 0 "[ . 1 . 2]" 1
450 1 25 LEU H 1 58 TYR HE1 4.500 . 4.500 4.067 3.516 4.366 . 0 0 "[ . 1 . 2]" 1
451 1 25 LEU HA 1 25 LEU QD 3.400 . 4.400 2.284 2.085 2.825 . 0 0 "[ . 1 . 2]" 1
452 1 25 LEU HA 1 25 LEU HG 4.300 . 4.300 3.255 2.544 3.905 . 0 0 "[ . 1 . 2]" 1
453 1 25 LEU HA 1 27 ARG H 5.500 . 5.500 4.162 3.796 4.403 . 0 0 "[ . 1 . 2]" 1
454 1 25 LEU HA 1 28 TYR H 5.200 . 5.200 3.274 3.003 3.721 . 0 0 "[ . 1 . 2]" 1
455 1 25 LEU HA 1 28 TYR QB 3.600 . 4.600 2.585 2.122 3.098 . 0 0 "[ . 1 . 2]" 1
456 1 25 LEU HA 1 29 ALA H 5.100 . 5.100 3.920 3.587 4.400 . 0 0 "[ . 1 . 2]" 1
457 1 25 LEU HA 1 54 LEU QD 3.600 . 4.600 3.650 2.494 4.375 . 0 0 "[ . 1 . 2]" 1
458 1 25 LEU HA 1 57 ILE MD 5.500 . 6.500 4.686 2.846 5.482 . 0 0 "[ . 1 . 2]" 1
459 1 25 LEU HA 1 58 TYR HE1 4.600 . 4.600 3.896 3.041 4.679 0.079 8 0 "[ . 1 . 2]" 1
460 1 25 LEU QB 1 54 LEU QD 4.300 . 5.300 3.770 3.280 4.402 . 0 0 "[ . 1 . 2]" 1
461 1 25 LEU HB2 1 26 GLN H 5.500 . 5.500 3.911 3.599 4.144 . 0 0 "[ . 1 . 2]" 1
462 1 25 LEU HB2 1 58 TYR HE1 5.500 . 5.500 4.152 3.649 4.425 . 0 0 "[ . 1 . 2]" 1
463 1 25 LEU HB2 1 72 TRP HH2 5.500 . 5.500 4.985 4.585 5.514 0.014 14 0 "[ . 1 . 2]" 1
464 1 25 LEU HB3 1 26 GLN H 5.500 . 5.500 2.690 2.382 3.040 . 0 0 "[ . 1 . 2]" 1
465 1 25 LEU HB3 1 58 TYR HE1 5.500 . 5.500 5.481 4.971 5.599 0.099 3 0 "[ . 1 . 2]" 1
466 1 25 LEU HB3 1 72 TRP HH2 5.500 . 5.500 5.376 4.680 5.538 0.038 8 0 "[ . 1 . 2]" 1
467 1 25 LEU QD 1 26 GLN H 5.400 . 6.400 3.835 3.407 4.124 . 0 0 "[ . 1 . 2]" 1
468 1 25 LEU QD 1 26 GLN HA 4.500 . 5.500 4.053 3.195 4.458 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU QD 1 28 TYR H 5.300 . 6.300 4.225 3.766 4.576 . 0 0 "[ . 1 . 2]" 1
470 1 25 LEU QD 1 28 TYR QB 4.000 . 5.000 2.689 2.074 3.266 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU QD 1 28 TYR QD 4.500 . 5.500 3.243 2.111 4.231 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU QD 1 28 TYR QE 5.400 . 6.400 4.596 3.495 5.580 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU QD 1 29 ALA H 4.300 . 5.300 3.391 2.872 3.656 . 0 0 "[ . 1 . 2]" 1
474 1 25 LEU QD 1 54 LEU QD 2.800 . 3.800 1.974 1.804 2.275 . 0 0 "[ . 1 . 2]" 1
475 1 25 LEU QD 1 58 TYR HE1 5.300 . 6.300 4.489 4.110 5.156 . 0 0 "[ . 1 . 2]" 1
476 1 25 LEU QD 1 69 LEU MD1 2.800 . 3.800 2.142 1.894 3.262 . 0 0 "[ . 1 . 2]" 1
477 1 25 LEU QD 1 72 TRP HE3 5.000 . 6.000 3.846 2.986 5.123 . 0 0 "[ . 1 . 2]" 1
478 1 25 LEU QD 1 72 TRP HH2 4.400 . 5.400 3.609 3.022 4.342 . 0 0 "[ . 1 . 2]" 1
479 1 25 LEU QD 1 72 TRP HZ2 5.400 . 6.400 5.464 4.928 6.211 . 0 0 "[ . 1 . 2]" 1
480 1 25 LEU QD 1 72 TRP HZ3 3.800 . 4.800 2.425 1.970 3.747 . 0 0 "[ . 1 . 2]" 1
481 1 25 LEU MD1 1 26 GLN HA 5.200 . 6.200 4.652 3.218 5.522 . 0 0 "[ . 1 . 2]" 1
482 1 25 LEU MD1 1 58 TYR HE2 5.300 . 6.300 3.086 2.136 4.709 . 0 0 "[ . 1 . 2]" 1
483 1 25 LEU MD1 1 72 TRP HH2 5.500 . 6.500 5.276 3.304 6.220 . 0 0 "[ . 1 . 2]" 1
484 1 25 LEU MD2 1 26 GLN HA 5.200 . 6.200 4.874 3.326 5.465 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU MD2 1 58 TYR HE2 5.300 . 6.300 3.637 2.305 5.785 . 0 0 "[ . 1 . 2]" 1
486 1 25 LEU MD2 1 72 TRP HH2 5.500 . 6.500 4.158 3.041 6.056 . 0 0 "[ . 1 . 2]" 1
487 1 25 LEU HG 1 26 GLN H 5.000 . 5.000 4.107 3.659 5.013 0.013 9 0 "[ . 1 . 2]" 1
488 1 25 LEU HG 1 54 LEU QD 3.800 . 4.800 3.752 1.832 4.606 . 0 0 "[ . 1 . 2]" 1
489 1 26 GLN H 1 26 GLN HB2 3.500 . 3.500 2.468 2.305 2.691 . 0 0 "[ . 1 . 2]" 1
490 1 26 GLN H 1 26 GLN HB3 4.000 . 4.000 3.608 3.559 3.656 . 0 0 "[ . 1 . 2]" 1
491 1 26 GLN H 1 26 GLN QG 3.200 . 4.200 2.348 2.119 2.656 . 0 0 "[ . 1 . 2]" 1
492 1 26 GLN H 1 27 ARG H 3.600 . 3.600 2.629 2.540 2.746 . 0 0 "[ . 1 . 2]" 1
493 1 26 GLN H 1 28 TYR H 5.500 . 5.500 4.239 4.072 4.468 . 0 0 "[ . 1 . 2]" 1
494 1 26 GLN H 1 29 ALA H 5.400 . 5.400 4.701 4.540 4.939 . 0 0 "[ . 1 . 2]" 1
495 1 26 GLN HA 1 29 ALA H 4.600 . 4.600 3.479 3.049 3.885 . 0 0 "[ . 1 . 2]" 1
496 1 26 GLN HA 1 29 ALA MB 3.500 . 4.500 2.501 1.925 3.099 . 0 0 "[ . 1 . 2]" 1
497 1 26 GLN HA 1 30 ALA H 4.700 . 4.700 3.953 3.578 4.501 . 0 0 "[ . 1 . 2]" 1
498 1 26 GLN HB2 1 27 ARG H 3.200 . 3.200 2.711 2.267 3.124 . 0 0 "[ . 1 . 2]" 1
499 1 26 GLN HB3 1 26 GLN HE22 5.000 . 5.000 4.444 3.813 4.788 . 0 0 "[ . 1 . 2]" 1
500 1 26 GLN HB3 1 27 ARG H 3.900 . 3.900 3.627 3.345 3.822 . 0 0 "[ . 1 . 2]" 1
501 1 26 GLN HB3 1 27 ARG HA 4.500 . 4.500 4.403 4.227 4.528 0.028 18 0 "[ . 1 . 2]" 1
502 1 27 ARG H 1 27 ARG QB 2.800 . 3.800 2.414 2.152 2.608 . 0 0 "[ . 1 . 2]" 1
503 1 27 ARG H 1 27 ARG QD 5.300 . 6.300 3.576 2.273 4.415 . 0 0 "[ . 1 . 2]" 1
504 1 27 ARG H 1 27 ARG HG2 4.500 . 4.500 3.217 2.121 4.109 . 0 0 "[ . 1 . 2]" 1
505 1 27 ARG H 1 27 ARG QG 3.800 . 4.800 2.532 1.971 3.607 . 0 0 "[ . 1 . 2]" 1
506 1 27 ARG H 1 27 ARG HG3 4.500 . 4.500 3.046 1.993 4.057 . 0 0 "[ . 1 . 2]" 1
507 1 27 ARG H 1 28 TYR H 3.600 . 3.600 2.660 2.509 2.785 . 0 0 "[ . 1 . 2]" 1
508 1 27 ARG H 1 28 TYR QB 5.300 . 6.300 4.337 4.136 4.553 . 0 0 "[ . 1 . 2]" 1
509 1 27 ARG H 1 29 ALA H 5.500 . 5.500 4.090 3.797 4.471 . 0 0 "[ . 1 . 2]" 1
510 1 27 ARG H 1 30 ALA MB 5.000 . 6.000 4.736 4.447 5.161 . 0 0 "[ . 1 . 2]" 1
511 1 27 ARG HA 1 27 ARG QD 4.600 . 5.600 3.286 2.019 4.228 . 0 0 "[ . 1 . 2]" 1
512 1 27 ARG HA 1 27 ARG HG2 3.800 . 3.800 2.950 2.447 3.703 . 0 0 "[ . 1 . 2]" 1
513 1 27 ARG HA 1 27 ARG QG 3.100 . 4.100 2.605 2.360 3.108 . 0 0 "[ . 1 . 2]" 1
514 1 27 ARG HA 1 27 ARG HG3 3.800 . 3.800 3.194 2.460 3.815 0.015 17 0 "[ . 1 . 2]" 1
515 1 27 ARG HA 1 29 ALA MB 5.500 . 6.500 4.887 4.574 5.306 . 0 0 "[ . 1 . 2]" 1
516 1 27 ARG HA 1 30 ALA H 3.900 . 3.900 3.514 3.096 3.756 . 0 0 "[ . 1 . 2]" 1
517 1 27 ARG HA 1 30 ALA MB 3.300 . 4.300 2.747 2.216 3.250 . 0 0 "[ . 1 . 2]" 1
518 1 27 ARG QB 1 27 ARG QD 3.100 . 4.100 2.421 2.108 2.865 . 0 0 "[ . 1 . 2]" 1
519 1 27 ARG QB 1 28 TYR H 2.900 . 3.900 2.366 2.056 2.747 . 0 0 "[ . 1 . 2]" 1
520 1 27 ARG HB2 1 28 TYR H 3.400 . 3.400 2.426 2.073 2.890 . 0 0 "[ . 1 . 2]" 1
521 1 27 ARG HB2 1 30 ALA H 5.500 . 5.500 5.512 5.368 5.559 0.059 6 0 "[ . 1 . 2]" 1
522 1 27 ARG HB3 1 28 TYR H 3.400 . 3.400 3.392 3.122 3.460 0.060 8 0 "[ . 1 . 2]" 1
523 1 27 ARG HB3 1 30 ALA H 5.500 . 5.500 5.391 5.159 5.534 0.034 16 0 "[ . 1 . 2]" 1
524 1 28 TYR H 1 28 TYR HB2 3.100 . 3.100 2.454 2.343 2.554 . 0 0 "[ . 1 . 2]" 1
525 1 28 TYR H 1 28 TYR QB 2.700 . 3.700 2.233 2.183 2.296 . 0 0 "[ . 1 . 2]" 1
526 1 28 TYR H 1 28 TYR HB3 3.100 . 3.100 2.581 2.437 2.818 . 0 0 "[ . 1 . 2]" 1
527 1 28 TYR H 1 28 TYR QD 5.200 . 5.200 4.180 3.894 4.278 . 0 0 "[ . 1 . 2]" 1
528 1 28 TYR H 1 29 ALA H 3.600 . 3.600 2.723 2.474 2.901 . 0 0 "[ . 1 . 2]" 1
529 1 28 TYR H 1 29 ALA MB 5.300 . 6.300 4.338 4.117 4.533 . 0 0 "[ . 1 . 2]" 1
530 1 28 TYR H 1 30 ALA H 5.500 . 5.500 4.200 3.962 4.391 . 0 0 "[ . 1 . 2]" 1
531 1 28 TYR H 1 54 LEU QD 5.300 . 6.300 5.210 4.327 5.971 . 0 0 "[ . 1 . 2]" 1
532 1 28 TYR H 1 57 ILE MD 5.100 . 6.100 5.210 3.951 5.994 . 0 0 "[ . 1 . 2]" 1
533 1 28 TYR H 1 57 ILE MG 5.500 . 6.500 5.756 5.099 6.331 . 0 0 "[ . 1 . 2]" 1
534 1 28 TYR HA 1 28 TYR QD 3.600 . 3.600 2.907 2.567 3.162 . 0 0 "[ . 1 . 2]" 1
535 1 28 TYR HA 1 29 ALA MB 5.500 . 6.500 5.018 4.922 5.050 . 0 0 "[ . 1 . 2]" 1
536 1 28 TYR HA 1 32 ILE MD 5.500 . 6.500 4.768 4.277 5.158 . 0 0 "[ . 1 . 2]" 1
537 1 28 TYR HA 1 54 LEU QD 5.400 . 6.400 5.159 4.523 5.841 . 0 0 "[ . 1 . 2]" 1
538 1 28 TYR HA 1 57 ILE MD 4.600 . 5.600 4.812 4.303 5.638 0.038 14 0 "[ . 1 . 2]" 1
539 1 28 TYR QB 1 29 ALA H 3.200 . 4.200 2.370 1.775 2.723 0.025 11 0 "[ . 1 . 2]" 1
540 1 28 TYR QB 1 29 ALA MB 5.300 . 6.300 3.758 3.423 4.008 . 0 0 "[ . 1 . 2]" 1
541 1 28 TYR QB 1 54 LEU QD 3.600 . 4.600 3.159 2.431 3.909 . 0 0 "[ . 1 . 2]" 1
542 1 28 TYR QB 1 57 ILE MD 4.400 . 5.400 3.244 2.452 3.844 . 0 0 "[ . 1 . 2]" 1
543 1 28 TYR HB2 1 29 ALA H 3.800 . 3.800 3.707 3.224 3.830 0.030 2 0 "[ . 1 . 2]" 1
544 1 28 TYR HB3 1 29 ALA H 3.800 . 3.800 2.399 1.784 2.787 0.016 11 0 "[ . 1 . 2]" 1
545 1 28 TYR QD 1 29 ALA H 4.300 . 4.300 3.404 2.547 4.122 . 0 0 "[ . 1 . 2]" 1
546 1 28 TYR QD 1 29 ALA MB 5.200 . 6.200 3.825 3.232 4.652 . 0 0 "[ . 1 . 2]" 1
547 1 28 TYR QD 1 32 ILE MD 5.300 . 6.300 3.508 2.163 4.227 . 0 0 "[ . 1 . 2]" 1
548 1 28 TYR QD 1 32 ILE QG 4.800 . 5.800 3.066 2.048 3.826 . 0 0 "[ . 1 . 2]" 1
549 1 28 TYR QD 1 32 ILE MG 5.500 . 6.500 4.974 4.455 5.520 . 0 0 "[ . 1 . 2]" 1
550 1 28 TYR QD 1 53 THR MG 4.500 . 5.500 4.426 3.420 5.278 . 0 0 "[ . 1 . 2]" 1
551 1 28 TYR QD 1 54 LEU MD1 5.000 . 6.000 3.402 2.355 4.453 . 0 0 "[ . 1 . 2]" 1
552 1 28 TYR QD 1 54 LEU QD 3.800 . 4.800 2.672 2.261 3.129 . 0 0 "[ . 1 . 2]" 1
553 1 28 TYR QD 1 54 LEU MD2 5.000 . 6.000 3.065 2.479 4.610 . 0 0 "[ . 1 . 2]" 1
554 1 28 TYR QD 1 54 LEU HG 5.500 . 5.500 4.132 2.793 4.922 . 0 0 "[ . 1 . 2]" 1
555 1 28 TYR QD 1 57 ILE MD 3.800 . 4.800 2.628 2.183 3.121 . 0 0 "[ . 1 . 2]" 1
556 1 28 TYR QE 1 32 ILE MD 3.800 . 4.800 2.818 1.907 3.670 . 0 0 "[ . 1 . 2]" 1
557 1 28 TYR QE 1 32 ILE QG 4.800 . 5.800 2.897 2.224 3.888 . 0 0 "[ . 1 . 2]" 1
558 1 28 TYR QE 1 32 ILE MG 5.200 . 6.200 4.409 3.445 5.039 . 0 0 "[ . 1 . 2]" 1
559 1 28 TYR QE 1 46 ILE MG 5.500 . 6.500 3.507 2.785 5.369 . 0 0 "[ . 1 . 2]" 1
560 1 28 TYR QE 1 50 ASP QB 4.600 . 5.600 3.564 2.023 5.635 0.035 1 0 "[ . 1 . 2]" 1
561 1 28 TYR QE 1 53 THR MG 3.600 . 4.600 2.903 2.186 3.874 . 0 0 "[ . 1 . 2]" 1
562 1 28 TYR QE 1 54 LEU MD1 5.000 . 6.000 3.016 2.002 4.243 . 0 0 "[ . 1 . 2]" 1
563 1 28 TYR QE 1 54 LEU QD 4.100 . 5.100 2.595 1.980 3.176 . 0 0 "[ . 1 . 2]" 1
564 1 28 TYR QE 1 54 LEU MD2 5.000 . 6.000 3.451 2.688 4.681 . 0 0 "[ . 1 . 2]" 1
565 1 28 TYR QE 1 57 ILE MD 4.500 . 5.500 2.868 2.218 4.282 . 0 0 "[ . 1 . 2]" 1
566 1 29 ALA H 1 29 ALA MB 3.200 . 4.200 2.230 2.189 2.311 . 0 0 "[ . 1 . 2]" 1
567 1 29 ALA H 1 30 ALA H 3.600 . 3.600 2.803 2.714 3.105 . 0 0 "[ . 1 . 2]" 1
568 1 29 ALA H 1 30 ALA MB 4.700 . 5.700 4.453 4.343 4.785 . 0 0 "[ . 1 . 2]" 1
569 1 29 ALA H 1 31 THR H 5.500 . 5.500 4.130 3.970 4.481 . 0 0 "[ . 1 . 2]" 1
570 1 29 ALA H 1 32 ILE HB 5.500 . 5.500 5.317 4.976 5.514 0.014 15 0 "[ . 1 . 2]" 1
571 1 29 ALA H 1 44 LEU MD2 5.500 . 6.500 4.565 3.898 5.666 . 0 0 "[ . 1 . 2]" 1
572 1 29 ALA H 1 54 LEU QD 5.000 . 6.000 4.768 4.091 5.333 . 0 0 "[ . 1 . 2]" 1
573 1 29 ALA HA 1 31 THR H 5.200 . 5.200 4.351 4.103 4.732 . 0 0 "[ . 1 . 2]" 1
574 1 29 ALA HA 1 32 ILE H 5.500 . 5.500 3.417 3.172 3.814 . 0 0 "[ . 1 . 2]" 1
575 1 29 ALA HA 1 32 ILE HB 4.500 . 4.500 2.825 2.539 3.002 . 0 0 "[ . 1 . 2]" 1
576 1 29 ALA HA 1 32 ILE MD 4.700 . 5.700 4.123 2.197 5.280 . 0 0 "[ . 1 . 2]" 1
577 1 29 ALA HA 1 32 ILE HG12 4.500 . 4.500 3.598 2.832 4.549 0.049 15 0 "[ . 1 . 2]" 1
578 1 29 ALA HA 1 32 ILE QG 3.800 . 4.800 3.025 2.655 3.771 . 0 0 "[ . 1 . 2]" 1
579 1 29 ALA HA 1 32 ILE HG13 4.500 . 4.500 3.442 2.704 4.293 . 0 0 "[ . 1 . 2]" 1
580 1 29 ALA HA 1 44 LEU MD2 3.600 . 4.600 2.513 2.039 3.526 . 0 0 "[ . 1 . 2]" 1
581 1 29 ALA MB 1 30 ALA H 3.500 . 4.500 2.446 2.320 2.598 . 0 0 "[ . 1 . 2]" 1
582 1 29 ALA MB 1 30 ALA HA 5.400 . 6.400 3.822 3.761 3.887 . 0 0 "[ . 1 . 2]" 1
583 1 29 ALA MB 1 31 THR H 5.500 . 6.500 4.426 4.293 4.627 . 0 0 "[ . 1 . 2]" 1
584 1 29 ALA MB 1 44 LEU MD2 3.100 . 4.100 2.424 2.008 3.380 . 0 0 "[ . 1 . 2]" 1
585 1 30 ALA H 1 30 ALA MB 3.000 . 4.000 2.237 2.213 2.267 . 0 0 "[ . 1 . 2]" 1
586 1 30 ALA H 1 31 THR H 3.300 . 3.300 2.643 2.494 2.728 . 0 0 "[ . 1 . 2]" 1
587 1 30 ALA H 1 32 ILE HB 5.500 . 5.500 5.292 5.035 5.438 . 0 0 "[ . 1 . 2]" 1
588 1 30 ALA H 1 32 ILE QG 5.300 . 6.300 5.148 4.937 5.625 . 0 0 "[ . 1 . 2]" 1
589 1 30 ALA H 1 44 LEU MD2 5.500 . 6.500 5.020 4.644 6.049 . 0 0 "[ . 1 . 2]" 1
590 1 30 ALA HA 1 33 GLN H 4.800 . 4.800 3.452 3.268 3.695 . 0 0 "[ . 1 . 2]" 1
591 1 30 ALA HA 1 33 GLN HB2 3.700 . 3.700 2.708 2.454 3.032 . 0 0 "[ . 1 . 2]" 1
592 1 30 ALA HA 1 33 GLN HB3 4.500 . 4.500 4.247 3.967 4.541 0.041 11 0 "[ . 1 . 2]" 1
593 1 30 ALA MB 1 31 THR H 3.500 . 4.500 2.574 2.448 2.699 . 0 0 "[ . 1 . 2]" 1
594 1 30 ALA MB 1 31 THR HB 5.500 . 6.500 4.693 4.556 4.810 . 0 0 "[ . 1 . 2]" 1
595 1 30 ALA MB 1 33 GLN H 4.900 . 5.900 4.644 4.512 4.818 . 0 0 "[ . 1 . 2]" 1
596 1 31 THR H 1 31 THR HB 3.100 . 3.100 2.548 2.447 2.616 . 0 0 "[ . 1 . 2]" 1
597 1 31 THR H 1 31 THR MG 4.000 . 5.000 3.748 3.707 3.775 . 0 0 "[ . 1 . 2]" 1
598 1 31 THR H 1 32 ILE HB 5.400 . 5.400 4.864 4.601 5.083 . 0 0 "[ . 1 . 2]" 1
599 1 31 THR H 1 32 ILE QG 4.300 . 5.300 4.225 3.882 4.433 . 0 0 "[ . 1 . 2]" 1
600 1 31 THR H 1 33 GLN H 5.500 . 5.500 4.127 3.915 4.293 . 0 0 "[ . 1 . 2]" 1
601 1 31 THR HA 1 31 THR MG 3.300 . 4.300 2.381 2.317 2.439 . 0 0 "[ . 1 . 2]" 1
602 1 31 THR HA 1 33 GLN H 4.800 . 4.800 4.523 4.331 4.732 . 0 0 "[ . 1 . 2]" 1
603 1 31 THR HB 1 32 ILE H 3.500 . 3.500 2.608 2.389 2.842 . 0 0 "[ . 1 . 2]" 1
604 1 31 THR HB 1 32 ILE HA 5.500 . 5.500 4.310 4.087 4.458 . 0 0 "[ . 1 . 2]" 1
605 1 31 THR HB 1 32 ILE MD 5.500 . 6.500 3.998 3.381 4.979 . 0 0 "[ . 1 . 2]" 1
606 1 31 THR HB 1 32 ILE MG 5.500 . 6.500 5.532 5.240 5.660 . 0 0 "[ . 1 . 2]" 1
607 1 31 THR MG 1 35 GLN H 5.500 . 6.500 4.204 3.839 5.349 . 0 0 "[ . 1 . 2]" 1
608 1 31 THR MG 1 35 GLN QE 3.900 . 4.900 2.830 1.989 4.916 0.016 9 0 "[ . 1 . 2]" 1
609 1 31 THR MG 1 35 GLN QG 5.300 . 6.300 2.883 2.150 5.117 . 0 0 "[ . 1 . 2]" 1
610 1 32 ILE H 1 32 ILE HB 3.000 . 3.000 2.547 2.348 2.640 . 0 0 "[ . 1 . 2]" 1
611 1 32 ILE H 1 32 ILE MD 3.900 . 4.900 3.322 3.065 3.652 . 0 0 "[ . 1 . 2]" 1
612 1 32 ILE H 1 32 ILE HG12 3.800 . 3.800 2.495 2.130 3.472 . 0 0 "[ . 1 . 2]" 1
613 1 32 ILE H 1 32 ILE QG 3.000 . 4.000 2.172 2.029 2.337 . 0 0 "[ . 1 . 2]" 1
614 1 32 ILE H 1 32 ILE HG13 3.800 . 3.800 3.291 2.049 3.766 . 0 0 "[ . 1 . 2]" 1
615 1 32 ILE H 1 32 ILE MG 3.800 . 4.800 3.793 3.721 3.818 . 0 0 "[ . 1 . 2]" 1
616 1 32 ILE H 1 33 GLN H 3.400 . 3.400 2.681 2.359 2.836 . 0 0 "[ . 1 . 2]" 1
617 1 32 ILE H 1 44 LEU MD1 5.500 . 6.500 5.285 4.395 6.449 . 0 0 "[ . 1 . 2]" 1
618 1 32 ILE H 1 44 LEU MD2 5.500 . 6.500 4.398 4.021 5.002 . 0 0 "[ . 1 . 2]" 1
619 1 32 ILE HA 1 32 ILE MD 3.400 . 4.400 2.507 1.975 3.878 . 0 0 "[ . 1 . 2]" 1
620 1 32 ILE HA 1 32 ILE QG 3.500 . 4.500 2.828 2.389 3.022 . 0 0 "[ . 1 . 2]" 1
621 1 32 ILE HA 1 32 ILE MG 3.300 . 4.300 2.459 2.370 2.561 . 0 0 "[ . 1 . 2]" 1
622 1 32 ILE HA 1 35 GLN H 4.000 . 4.000 3.448 3.144 3.789 . 0 0 "[ . 1 . 2]" 1
623 1 32 ILE HA 1 35 GLN QB 3.900 . 4.900 3.004 2.364 4.291 . 0 0 "[ . 1 . 2]" 1
624 1 32 ILE HA 1 36 ARG H 4.500 . 4.500 4.068 2.933 4.521 0.021 9 0 "[ . 1 . 2]" 1
625 1 32 ILE HB 1 33 GLN H 3.100 . 3.100 2.581 2.382 2.902 . 0 0 "[ . 1 . 2]" 1
626 1 32 ILE MD 1 32 ILE MG 3.300 . 4.300 2.009 1.889 2.086 . 0 0 "[ . 1 . 2]" 1
627 1 32 ILE MD 1 33 GLN H 5.400 . 6.400 4.616 4.416 4.743 . 0 0 "[ . 1 . 2]" 1
628 1 32 ILE QG 1 33 GLN H 4.200 . 5.200 4.001 3.861 4.227 . 0 0 "[ . 1 . 2]" 1
629 1 32 ILE MG 1 33 GLN H 4.400 . 5.400 3.392 3.201 3.692 . 0 0 "[ . 1 . 2]" 1
630 1 32 ILE MG 1 35 GLN H 5.500 . 6.500 4.667 4.197 4.959 . 0 0 "[ . 1 . 2]" 1
631 1 32 ILE MG 1 35 GLN QB 5.000 . 6.000 4.012 3.233 5.415 . 0 0 "[ . 1 . 2]" 1
632 1 32 ILE MG 1 36 ARG H 5.500 . 6.500 3.999 3.368 4.416 . 0 0 "[ . 1 . 2]" 1
633 1 32 ILE MG 1 36 ARG HD2 4.500 . 5.500 3.712 2.324 4.990 . 0 0 "[ . 1 . 2]" 1
634 1 32 ILE MG 1 36 ARG QD 3.800 . 4.800 3.000 1.971 3.912 . 0 0 "[ . 1 . 2]" 1
635 1 32 ILE MG 1 36 ARG HD3 4.500 . 5.500 3.446 2.012 4.732 . 0 0 "[ . 1 . 2]" 1
636 1 33 GLN H 1 33 GLN HB2 3.300 . 3.300 2.496 2.340 2.627 . 0 0 "[ . 1 . 2]" 1
637 1 33 GLN H 1 33 GLN HB3 3.700 . 3.700 3.608 3.571 3.657 . 0 0 "[ . 1 . 2]" 1
638 1 33 GLN H 1 33 GLN HG2 4.100 . 4.100 3.113 2.030 3.678 . 0 0 "[ . 1 . 2]" 1
639 1 33 GLN H 1 33 GLN QG 3.400 . 4.400 2.284 2.017 2.610 . 0 0 "[ . 1 . 2]" 1
640 1 33 GLN H 1 33 GLN HG3 4.100 . 4.100 2.720 2.116 3.905 . 0 0 "[ . 1 . 2]" 1
641 1 33 GLN H 1 34 SER H 3.700 . 3.700 2.793 2.652 2.931 . 0 0 "[ . 1 . 2]" 1
642 1 33 GLN H 1 34 SER QB 5.300 . 6.300 4.883 4.412 5.341 . 0 0 "[ . 1 . 2]" 1
643 1 33 GLN H 1 44 LEU MD1 5.500 . 6.500 4.008 3.122 5.073 . 0 0 "[ . 1 . 2]" 1
644 1 33 GLN HA 1 33 GLN QE 5.300 . 6.300 3.930 2.268 4.702 . 0 0 "[ . 1 . 2]" 1
645 1 33 GLN HA 1 33 GLN HG2 3.700 . 3.700 2.661 2.298 3.088 . 0 0 "[ . 1 . 2]" 1
646 1 33 GLN HA 1 33 GLN HG3 3.700 . 3.700 3.267 2.919 3.784 0.084 18 0 "[ . 1 . 2]" 1
647 1 33 GLN HA 1 36 ARG H 4.700 . 4.700 3.658 3.160 4.343 . 0 0 "[ . 1 . 2]" 1
648 1 33 GLN HA 1 44 LEU MD1 3.600 . 4.600 3.584 2.122 4.460 . 0 0 "[ . 1 . 2]" 1
649 1 33 GLN HB2 1 34 SER H 3.500 . 3.500 2.529 2.226 3.152 . 0 0 "[ . 1 . 2]" 1
650 1 33 GLN HB3 1 34 SER H 4.200 . 4.200 3.472 3.255 3.741 . 0 0 "[ . 1 . 2]" 1
651 1 33 GLN HB3 1 44 LEU MD1 5.000 . 6.000 4.808 3.662 6.012 0.012 2 0 "[ . 1 . 2]" 1
652 1 33 GLN QE 1 39 TYR H 5.300 . 6.300 4.964 2.527 6.408 0.108 11 0 "[ . 1 . 2]" 1
653 1 33 GLN QE 1 40 ASN H 5.300 . 6.300 3.453 2.214 4.885 . 0 0 "[ . 1 . 2]" 1
654 1 33 GLN QE 1 41 GLY H 5.300 . 6.300 3.555 2.535 4.579 . 0 0 "[ . 1 . 2]" 1
655 1 33 GLN QE 1 41 GLY QA 4.800 . 5.800 3.045 1.963 4.566 . 0 0 "[ . 1 . 2]" 1
656 1 33 GLN QE 1 44 LEU MD1 4.700 . 5.700 3.913 2.073 5.066 . 0 0 "[ . 1 . 2]" 1
657 1 33 GLN HE21 1 39 TYR HA 5.500 . 5.500 3.936 2.490 5.636 0.136 8 0 "[ . 1 . 2]" 1
658 1 33 GLN HE21 1 44 LEU MD1 5.500 . 6.500 4.309 2.089 5.652 . 0 0 "[ . 1 . 2]" 1
659 1 33 GLN HE22 1 39 TYR HA 5.500 . 5.500 4.303 2.016 5.531 0.031 1 0 "[ . 1 . 2]" 1
660 1 33 GLN HE22 1 44 LEU MD1 5.500 . 6.500 4.785 2.599 6.146 . 0 0 "[ . 1 . 2]" 1
661 1 33 GLN QG 1 34 SER H 4.900 . 5.900 4.074 3.833 4.549 . 0 0 "[ . 1 . 2]" 1
662 1 33 GLN QG 1 44 LEU MD1 3.800 . 4.800 2.773 1.974 4.202 . 0 0 "[ . 1 . 2]" 1
663 1 33 GLN QG 1 44 LEU MD2 4.700 . 5.700 3.156 2.247 4.423 . 0 0 "[ . 1 . 2]" 1
664 1 33 GLN HG2 1 44 LEU MD1 4.400 . 5.400 2.938 2.097 4.378 . 0 0 "[ . 1 . 2]" 1
665 1 33 GLN HG3 1 44 LEU MD1 4.400 . 5.400 3.501 2.406 5.414 0.014 6 0 "[ . 1 . 2]" 1
666 1 34 SER H 1 34 SER QB 3.100 . 4.100 2.501 2.191 2.798 . 0 0 "[ . 1 . 2]" 1
667 1 34 SER H 1 35 GLN H 3.300 . 3.300 2.684 2.573 2.882 . 0 0 "[ . 1 . 2]" 1
668 1 34 SER H 1 35 GLN QB 4.500 . 5.500 4.779 4.610 5.019 . 0 0 "[ . 1 . 2]" 1
669 1 34 SER H 1 36 ARG H 4.400 . 4.400 4.144 3.802 4.408 0.008 3 0 "[ . 1 . 2]" 1
670 1 34 SER QB 1 35 GLN H 3.700 . 4.700 2.953 2.495 3.532 . 0 0 "[ . 1 . 2]" 1
671 1 34 SER QB 1 35 GLN QB 4.800 . 5.800 4.607 3.813 5.237 . 0 0 "[ . 1 . 2]" 1
672 1 34 SER QB 1 36 ARG H 5.500 . 6.500 4.881 4.533 5.354 . 0 0 "[ . 1 . 2]" 1
673 1 35 GLN H 1 35 GLN QB 3.200 . 4.200 2.472 2.365 2.625 . 0 0 "[ . 1 . 2]" 1
674 1 35 GLN H 1 35 GLN HG2 4.000 . 4.000 2.838 1.980 3.741 . 0 0 "[ . 1 . 2]" 1
675 1 35 GLN H 1 35 GLN HG3 4.000 . 4.000 3.133 2.136 3.898 . 0 0 "[ . 1 . 2]" 1
676 1 35 GLN HA 1 35 GLN HG2 3.900 . 3.900 3.002 2.443 3.851 . 0 0 "[ . 1 . 2]" 1
677 1 35 GLN HA 1 35 GLN QG 3.100 . 4.100 2.810 2.323 3.369 . 0 0 "[ . 1 . 2]" 1
678 1 35 GLN HA 1 35 GLN HG3 3.900 . 3.900 3.446 2.909 3.795 . 0 0 "[ . 1 . 2]" 1
679 1 35 GLN HA 1 37 GLY H 5.500 . 5.500 4.026 3.562 5.041 . 0 0 "[ . 1 . 2]" 1
680 1 35 GLN QB 1 36 ARG H 3.500 . 4.500 2.905 2.283 3.735 . 0 0 "[ . 1 . 2]" 1
681 1 35 GLN QB 1 36 ARG HA 4.700 . 5.700 4.068 3.735 4.573 . 0 0 "[ . 1 . 2]" 1
682 1 35 GLN QG 1 36 ARG H 4.700 . 5.700 3.860 2.546 4.297 . 0 0 "[ . 1 . 2]" 1
683 1 35 GLN HG2 1 36 ARG H 5.500 . 5.500 4.402 2.944 5.181 . 0 0 "[ . 1 . 2]" 1
684 1 35 GLN HG3 1 36 ARG H 5.500 . 5.500 4.386 2.773 5.286 . 0 0 "[ . 1 . 2]" 1
685 1 36 ARG H 1 36 ARG HB2 4.100 . 4.100 2.545 2.129 3.709 . 0 0 "[ . 1 . 2]" 1
686 1 36 ARG H 1 36 ARG QB 3.300 . 4.300 2.412 2.097 2.821 . 0 0 "[ . 1 . 2]" 1
687 1 36 ARG H 1 36 ARG HB3 4.100 . 4.100 3.369 2.416 3.779 . 0 0 "[ . 1 . 2]" 1
688 1 36 ARG H 1 36 ARG HD2 5.500 . 5.500 4.460 2.324 5.652 0.152 4 0 "[ . 1 . 2]" 1
689 1 36 ARG H 1 36 ARG HD3 5.500 . 5.500 4.326 2.835 5.188 . 0 0 "[ . 1 . 2]" 1
690 1 36 ARG H 1 36 ARG HG2 4.500 . 4.500 3.518 2.074 4.508 0.008 6 0 "[ . 1 . 2]" 1
691 1 36 ARG H 1 36 ARG QG 4.000 . 5.000 2.938 2.044 4.001 . 0 0 "[ . 1 . 2]" 1
692 1 36 ARG H 1 36 ARG HG3 4.500 . 4.500 3.483 2.375 4.519 0.019 14 0 "[ . 1 . 2]" 1
693 1 36 ARG H 1 37 GLY H 3.300 . 3.300 2.385 2.084 2.569 . 0 0 "[ . 1 . 2]" 1
694 1 36 ARG H 1 37 GLY QA 5.300 . 6.300 4.318 4.084 4.467 . 0 0 "[ . 1 . 2]" 1
695 1 36 ARG H 1 38 ASP H 4.900 . 4.900 3.980 3.336 4.948 0.048 6 0 "[ . 1 . 2]" 1
696 1 36 ARG HA 1 36 ARG HD2 5.300 . 5.300 3.767 2.267 4.744 . 0 0 "[ . 1 . 2]" 1
697 1 36 ARG HA 1 36 ARG QD 4.600 . 5.600 3.302 1.972 4.428 . 0 0 "[ . 1 . 2]" 1
698 1 36 ARG HA 1 36 ARG HD3 5.300 . 5.300 3.929 1.986 5.439 0.139 17 0 "[ . 1 . 2]" 1
699 1 36 ARG HA 1 36 ARG QG 3.500 . 4.500 2.630 2.353 3.328 . 0 0 "[ . 1 . 2]" 1
700 1 36 ARG HA 1 38 ASP H 4.800 . 4.800 4.548 3.638 4.851 0.051 4 0 "[ . 1 . 2]" 1
701 1 36 ARG QB 1 36 ARG QD 3.100 . 4.100 2.305 2.097 2.628 . 0 0 "[ . 1 . 2]" 1
702 1 36 ARG QB 1 37 GLY H 4.100 . 5.100 3.071 2.740 3.743 . 0 0 "[ . 1 . 2]" 1
703 1 36 ARG QB 1 38 ASP H 4.200 . 5.200 3.109 2.414 4.238 . 0 0 "[ . 1 . 2]" 1
704 1 36 ARG HB2 1 38 ASP H 4.900 . 4.900 3.600 2.529 4.906 0.006 6 0 "[ . 1 . 2]" 1
705 1 36 ARG HB3 1 38 ASP H 4.900 . 4.900 3.801 2.530 4.991 0.091 3 0 "[ . 1 . 2]" 1
706 1 37 GLY H 1 38 ASP H 3.800 . 3.800 2.586 2.156 3.488 . 0 0 "[ . 1 . 2]" 1
707 1 38 ASP H 1 38 ASP HB2 3.700 . 3.700 3.060 2.539 3.819 0.119 8 0 "[ . 1 . 2]" 1
708 1 38 ASP H 1 38 ASP HB3 3.700 . 3.700 3.060 2.451 3.728 0.028 18 0 "[ . 1 . 2]" 1
709 1 38 ASP H 1 39 TYR H 4.500 . 4.500 4.095 2.997 4.504 0.004 14 0 "[ . 1 . 2]" 1
710 1 38 ASP H 1 39 TYR HA 5.500 . 5.500 4.948 4.283 5.514 0.014 1 0 "[ . 1 . 2]" 1
711 1 38 ASP HA 1 39 TYR H 3.100 . 3.100 2.283 1.983 3.306 0.206 9 0 "[ . 1 . 2]" 1
712 1 38 ASP QB 1 39 TYR H 4.300 . 5.300 3.450 2.311 3.987 . 0 0 "[ . 1 . 2]" 1
713 1 38 ASP HB2 1 39 TYR H 5.000 . 5.000 4.037 2.375 4.569 . 0 0 "[ . 1 . 2]" 1
714 1 38 ASP HB3 1 39 TYR H 5.000 . 5.000 3.859 2.339 4.434 . 0 0 "[ . 1 . 2]" 1
715 1 39 TYR H 1 39 TYR HB2 3.800 . 3.800 3.044 2.438 3.865 0.065 20 0 "[ . 1 . 2]" 1
716 1 39 TYR H 1 39 TYR QB 3.200 . 4.200 2.676 2.260 3.295 . 0 0 "[ . 1 . 2]" 1
717 1 39 TYR H 1 39 TYR HB3 3.800 . 3.800 3.192 2.436 3.910 0.110 3 0 "[ . 1 . 2]" 1
718 1 39 TYR H 1 39 TYR HD2 4.900 . 4.900 4.109 2.347 5.137 0.237 17 0 "[ . 1 . 2]" 1
719 1 39 TYR H 1 39 TYR QE 5.500 . 6.500 5.267 4.075 6.424 . 0 0 "[ . 1 . 2]" 1
720 1 39 TYR H 1 40 ASN H 4.500 . 4.500 3.304 1.925 4.488 . 0 0 "[ . 1 . 2]" 1
721 1 39 TYR HA 1 39 TYR HD1 4.500 . 4.500 3.361 2.379 4.305 . 0 0 "[ . 1 . 2]" 1
722 1 39 TYR HA 1 39 TYR HD2 4.200 . 4.200 3.983 3.113 4.511 0.311 7 0 "[ . 1 . 2]" 1
723 1 39 TYR HA 1 39 TYR QE 5.500 . 6.500 4.851 4.427 5.708 . 0 0 "[ . 1 . 2]" 1
724 1 39 TYR HA 1 40 ASN H 3.200 . 3.200 2.608 2.114 3.235 0.035 9 0 "[ . 1 . 2]" 1
725 1 39 TYR HD2 1 40 ASN H 5.500 . 5.500 4.935 2.095 5.958 0.458 6 0 "[ . 1 . 2]" 1
726 1 40 ASN H 1 40 ASN HB2 3.800 . 3.800 2.845 2.394 3.639 . 0 0 "[ . 1 . 2]" 1
727 1 40 ASN H 1 40 ASN QB 3.400 . 4.400 2.465 2.180 3.082 . 0 0 "[ . 1 . 2]" 1
728 1 40 ASN H 1 40 ASN HB3 3.800 . 3.800 2.890 2.265 3.689 . 0 0 "[ . 1 . 2]" 1
729 1 40 ASN H 1 40 ASN QD 5.300 . 6.300 4.369 2.648 5.356 . 0 0 "[ . 1 . 2]" 1
730 1 40 ASN H 1 41 GLY H 4.100 . 4.100 3.244 2.119 4.254 0.154 16 0 "[ . 1 . 2]" 1
731 1 40 ASN QB 1 41 GLY H 4.300 . 5.300 3.299 2.154 3.985 . 0 0 "[ . 1 . 2]" 1
732 1 40 ASN HB2 1 41 GLY H 5.000 . 5.000 3.918 2.193 4.555 . 0 0 "[ . 1 . 2]" 1
733 1 40 ASN HB3 1 41 GLY H 5.000 . 5.000 3.737 2.321 4.499 . 0 0 "[ . 1 . 2]" 1
734 1 40 ASN QD 1 42 LYS QB 5.200 . 6.200 4.183 2.603 6.086 . 0 0 "[ . 1 . 2]" 1
735 1 40 ASN QD 1 43 VAL H 5.000 . 6.000 3.831 2.035 5.361 . 0 0 "[ . 1 . 2]" 1
736 1 40 ASN QD 1 43 VAL MG2 4.200 . 5.200 3.119 2.015 5.159 . 0 0 "[ . 1 . 2]" 1
737 1 41 GLY H 1 42 LYS H 3.800 . 3.800 2.922 1.829 3.872 0.072 6 0 "[ . 1 . 2]" 1
738 1 41 GLY H 1 43 VAL H 5.500 . 5.500 4.533 3.526 5.425 . 0 0 "[ . 1 . 2]" 1
739 1 42 LYS H 1 42 LYS HB2 3.700 . 3.700 2.559 2.326 2.778 . 0 0 "[ . 1 . 2]" 1
740 1 42 LYS H 1 42 LYS QB 3.100 . 4.100 2.411 2.240 2.561 . 0 0 "[ . 1 . 2]" 1
741 1 42 LYS H 1 42 LYS HB3 3.700 . 3.700 3.300 2.425 3.703 0.003 13 0 "[ . 1 . 2]" 1
742 1 42 LYS H 1 42 LYS QD 4.500 . 5.500 3.888 2.371 4.760 . 0 0 "[ . 1 . 2]" 1
743 1 42 LYS H 1 42 LYS HG2 4.700 . 4.700 3.722 2.216 4.702 0.002 19 0 "[ . 1 . 2]" 1
744 1 42 LYS H 1 42 LYS QG 4.100 . 5.100 3.081 2.198 4.090 . 0 0 "[ . 1 . 2]" 1
745 1 42 LYS H 1 42 LYS HG3 4.700 . 4.700 3.629 2.357 4.570 . 0 0 "[ . 1 . 2]" 1
746 1 42 LYS H 1 43 VAL H 3.100 . 3.100 2.368 2.102 2.653 . 0 0 "[ . 1 . 2]" 1
747 1 42 LYS H 1 43 VAL MG2 4.500 . 5.500 4.045 3.528 4.391 . 0 0 "[ . 1 . 2]" 1
748 1 42 LYS HA 1 42 LYS QD 4.300 . 5.300 3.196 2.008 4.302 . 0 0 "[ . 1 . 2]" 1
749 1 42 LYS HA 1 42 LYS HG2 4.100 . 4.100 3.103 2.401 3.814 . 0 0 "[ . 1 . 2]" 1
750 1 42 LYS HA 1 42 LYS QG 3.600 . 4.600 2.683 2.275 3.144 . 0 0 "[ . 1 . 2]" 1
751 1 42 LYS HA 1 42 LYS HG3 4.100 . 4.100 3.129 2.503 3.853 . 0 0 "[ . 1 . 2]" 1
752 1 42 LYS HA 1 43 VAL MG1 5.200 . 6.200 4.168 3.992 4.399 . 0 0 "[ . 1 . 2]" 1
753 1 42 LYS HA 1 43 VAL MG2 5.000 . 6.000 4.878 4.703 5.018 . 0 0 "[ . 1 . 2]" 1
754 1 42 LYS QB 1 43 VAL H 3.300 . 4.300 2.371 2.028 2.829 . 0 0 "[ . 1 . 2]" 1
755 1 42 LYS QB 1 43 VAL MG1 4.500 . 5.500 2.876 2.479 3.549 . 0 0 "[ . 1 . 2]" 1
756 1 42 LYS QB 1 43 VAL MG2 3.600 . 4.600 2.858 2.599 3.168 . 0 0 "[ . 1 . 2]" 1
757 1 42 LYS HB2 1 43 VAL H 4.000 . 4.000 2.823 2.048 3.955 . 0 0 "[ . 1 . 2]" 1
758 1 42 LYS HB3 1 43 VAL H 4.000 . 4.000 3.134 2.057 3.953 . 0 0 "[ . 1 . 2]" 1
759 1 42 LYS QD 1 43 VAL H 5.500 . 6.500 4.554 3.852 5.146 . 0 0 "[ . 1 . 2]" 1
760 1 42 LYS QE 1 43 VAL MG2 5.500 . 6.500 5.171 2.747 6.522 0.022 6 0 "[ . 1 . 2]" 1
761 1 42 LYS QG 1 43 VAL H 4.800 . 5.800 3.808 3.134 4.381 . 0 0 "[ . 1 . 2]" 1
762 1 42 LYS HG2 1 43 VAL H 5.500 . 5.500 4.404 3.552 5.032 . 0 0 "[ . 1 . 2]" 1
763 1 42 LYS HG3 1 43 VAL H 5.500 . 5.500 4.358 3.264 4.980 . 0 0 "[ . 1 . 2]" 1
764 1 43 VAL H 1 43 VAL MG1 3.400 . 4.400 3.102 2.981 3.302 . 0 0 "[ . 1 . 2]" 1
765 1 43 VAL H 1 43 VAL MG2 3.100 . 4.100 2.285 2.156 2.406 . 0 0 "[ . 1 . 2]" 1
766 1 43 VAL H 1 44 LEU H 5.500 . 5.500 4.300 4.154 4.423 . 0 0 "[ . 1 . 2]" 1
767 1 43 VAL H 1 44 LEU HB2 5.500 . 5.500 5.216 4.850 5.507 0.007 1 0 "[ . 1 . 2]" 1
768 1 43 VAL H 1 44 LEU MD1 5.500 . 6.500 5.693 5.272 6.206 . 0 0 "[ . 1 . 2]" 1
769 1 43 VAL HA 1 43 VAL MG1 3.500 . 4.500 2.371 2.306 2.422 . 0 0 "[ . 1 . 2]" 1
770 1 43 VAL HA 1 44 LEU H 3.200 . 3.200 2.265 2.087 2.488 . 0 0 "[ . 1 . 2]" 1
771 1 43 VAL HB 1 44 LEU H 3.500 . 3.500 2.691 2.218 3.245 . 0 0 "[ . 1 . 2]" 1
772 1 43 VAL HB 1 44 LEU HA 5.500 . 5.500 4.433 4.129 4.797 . 0 0 "[ . 1 . 2]" 1
773 1 43 VAL MG1 1 44 LEU H 4.100 . 5.100 3.710 3.589 3.885 . 0 0 "[ . 1 . 2]" 1
774 1 43 VAL MG2 1 44 LEU H 4.700 . 5.700 3.662 3.224 4.058 . 0 0 "[ . 1 . 2]" 1
775 1 44 LEU H 1 44 LEU HB3 3.500 . 3.500 2.620 2.455 2.880 . 0 0 "[ . 1 . 2]" 1
776 1 44 LEU H 1 44 LEU MD1 5.000 . 6.000 4.351 4.207 4.413 . 0 0 "[ . 1 . 2]" 1
777 1 44 LEU H 1 44 LEU MD2 4.900 . 5.900 4.483 4.297 4.676 . 0 0 "[ . 1 . 2]" 1
778 1 44 LEU H 1 45 SER H 5.000 . 5.000 4.244 3.999 4.474 . 0 0 "[ . 1 . 2]" 1
779 1 44 LEU HA 1 44 LEU MD1 3.100 . 4.100 2.142 2.058 2.224 . 0 0 "[ . 1 . 2]" 1
780 1 44 LEU HA 1 44 LEU MD2 4.100 . 5.100 3.904 3.875 3.933 . 0 0 "[ . 1 . 2]" 1
781 1 44 LEU HA 1 45 SER H 3.000 . 3.000 2.197 2.083 2.400 . 0 0 "[ . 1 . 2]" 1
782 1 44 LEU HB2 1 44 LEU MD2 3.400 . 4.400 2.400 2.349 2.461 . 0 0 "[ . 1 . 2]" 1
783 1 44 LEU HB2 1 45 SER H 4.700 . 4.700 4.263 4.041 4.432 . 0 0 "[ . 1 . 2]" 1
784 1 44 LEU HB3 1 44 LEU MD2 3.300 . 4.300 2.299 2.259 2.332 . 0 0 "[ . 1 . 2]" 1
785 1 44 LEU HB3 1 45 SER H 4.900 . 4.900 4.176 3.790 4.401 . 0 0 "[ . 1 . 2]" 1
786 1 44 LEU MD1 1 45 SER H 3.800 . 4.800 2.539 2.100 2.966 . 0 0 "[ . 1 . 2]" 1
787 1 44 LEU HG 1 45 SER H 4.600 . 4.600 3.154 2.362 3.735 . 0 0 "[ . 1 . 2]" 1
788 1 44 LEU HG 1 46 ILE H 5.500 . 5.500 4.239 3.718 4.688 . 0 0 "[ . 1 . 2]" 1
789 1 44 LEU HG 1 46 ILE MG 3.400 . 4.400 2.232 1.932 2.831 . 0 0 "[ . 1 . 2]" 1
790 1 45 SER H 1 45 SER QB 3.400 . 4.400 2.537 2.281 2.933 . 0 0 "[ . 1 . 2]" 1
791 1 45 SER H 1 46 ILE H 5.500 . 5.500 4.262 3.943 4.461 . 0 0 "[ . 1 . 2]" 1
792 1 45 SER H 1 46 ILE MG 5.500 . 6.500 4.124 3.622 4.476 . 0 0 "[ . 1 . 2]" 1
793 1 45 SER HA 1 46 ILE H 3.100 . 3.100 2.128 2.028 2.191 . 0 0 "[ . 1 . 2]" 1
794 1 45 SER HA 1 46 ILE MG 5.500 . 6.500 3.938 3.692 4.293 . 0 0 "[ . 1 . 2]" 1
795 1 45 SER QB 1 46 ILE H 4.000 . 5.000 3.576 3.210 3.931 . 0 0 "[ . 1 . 2]" 1
796 1 46 ILE H 1 46 ILE MD 4.100 . 5.100 3.484 1.783 4.009 0.017 10 0 "[ . 1 . 2]" 1
797 1 46 ILE H 1 46 ILE HG12 4.500 . 4.500 2.571 2.064 3.988 . 0 0 "[ . 1 . 2]" 1
798 1 46 ILE H 1 46 ILE QG 3.700 . 4.700 2.276 2.027 3.194 . 0 0 "[ . 1 . 2]" 1
799 1 46 ILE H 1 46 ILE HG13 4.500 . 4.500 3.009 2.158 4.111 . 0 0 "[ . 1 . 2]" 1
800 1 46 ILE H 1 46 ILE MG 3.800 . 4.800 2.927 2.663 3.417 . 0 0 "[ . 1 . 2]" 1
801 1 46 ILE H 1 47 ARG H 5.500 . 5.500 4.421 4.333 4.516 . 0 0 "[ . 1 . 2]" 1
802 1 46 ILE H 1 47 ARG QG 5.500 . 6.500 5.561 4.801 6.325 . 0 0 "[ . 1 . 2]" 1
803 1 46 ILE HA 1 46 ILE MD 4.200 . 5.200 4.089 3.671 4.232 . 0 0 "[ . 1 . 2]" 1
804 1 46 ILE HA 1 46 ILE MG 3.300 . 4.300 2.352 2.257 2.451 . 0 0 "[ . 1 . 2]" 1
805 1 46 ILE HA 1 47 ARG H 3.200 . 3.200 2.506 2.387 2.602 . 0 0 "[ . 1 . 2]" 1
806 1 46 ILE HB 1 47 ARG H 3.300 . 3.300 2.170 1.843 2.452 . 0 0 "[ . 1 . 2]" 1
807 1 46 ILE HB 1 50 ASP HB2 4.300 . 4.300 2.471 1.917 4.132 . 0 0 "[ . 1 . 2]" 1
808 1 46 ILE HB 1 50 ASP QB 3.500 . 4.500 2.103 1.815 2.630 . 0 0 "[ . 1 . 2]" 1
809 1 46 ILE HB 1 50 ASP HB3 4.300 . 4.300 2.718 2.052 3.767 . 0 0 "[ . 1 . 2]" 1
810 1 46 ILE MD 1 46 ILE MG 2.600 . 3.600 2.157 1.920 3.249 . 0 0 "[ . 1 . 2]" 1
811 1 46 ILE MD 1 47 ARG H 4.600 . 5.600 3.950 3.157 4.371 . 0 0 "[ . 1 . 2]" 1
812 1 46 ILE MD 1 50 ASP H 4.900 . 5.900 4.727 4.049 5.689 . 0 0 "[ . 1 . 2]" 1
813 1 46 ILE MD 1 50 ASP HB2 4.300 . 5.300 3.345 2.256 5.310 0.010 6 0 "[ . 1 . 2]" 1
814 1 46 ILE MD 1 50 ASP QB 3.700 . 4.700 2.805 2.060 3.773 . 0 0 "[ . 1 . 2]" 1
815 1 46 ILE MD 1 50 ASP HB3 4.300 . 5.300 3.275 2.319 4.572 . 0 0 "[ . 1 . 2]" 1
816 1 46 ILE MD 1 51 LEU H 3.900 . 4.900 3.354 2.624 4.629 . 0 0 "[ . 1 . 2]" 1
817 1 46 ILE MD 1 51 LEU HA 3.300 . 4.300 3.130 2.216 4.310 0.010 9 0 "[ . 1 . 2]" 1
818 1 46 ILE MD 1 51 LEU HB2 3.500 . 4.500 2.925 2.037 3.764 . 0 0 "[ . 1 . 2]" 1
819 1 46 ILE MD 1 51 LEU HB3 4.200 . 5.200 4.294 3.381 5.230 0.030 10 0 "[ . 1 . 2]" 1
820 1 46 ILE MD 1 52 ARG H 5.500 . 6.500 5.356 4.641 6.506 0.006 10 0 "[ . 1 . 2]" 1
821 1 46 ILE QG 1 47 ARG H 5.300 . 6.300 3.426 2.973 4.102 . 0 0 "[ . 1 . 2]" 1
822 1 46 ILE MG 1 47 ARG H 3.900 . 4.900 3.539 3.084 3.704 . 0 0 "[ . 1 . 2]" 1
823 1 46 ILE MG 1 50 ASP H 5.500 . 6.500 5.543 5.118 6.166 . 0 0 "[ . 1 . 2]" 1
824 1 46 ILE MG 1 50 ASP HB2 4.100 . 5.100 3.744 3.023 5.111 0.011 6 0 "[ . 1 . 2]" 1
825 1 46 ILE MG 1 50 ASP QB 3.400 . 4.400 3.129 2.682 3.939 . 0 0 "[ . 1 . 2]" 1
826 1 46 ILE MG 1 50 ASP HB3 4.100 . 5.100 3.384 2.947 4.097 . 0 0 "[ . 1 . 2]" 1
827 1 47 ARG H 1 47 ARG QG 3.400 . 4.400 2.804 2.232 3.890 . 0 0 "[ . 1 . 2]" 1
828 1 47 ARG H 1 50 ASP H 4.500 . 4.500 3.452 3.230 4.023 . 0 0 "[ . 1 . 2]" 1
829 1 47 ARG H 1 50 ASP HB2 4.600 . 4.600 2.610 2.158 3.156 . 0 0 "[ . 1 . 2]" 1
830 1 47 ARG H 1 50 ASP QB 3.700 . 4.700 2.448 1.869 2.949 . 0 0 "[ . 1 . 2]" 1
831 1 47 ARG H 1 50 ASP HB3 4.600 . 4.600 3.519 1.892 4.610 0.010 9 0 "[ . 1 . 2]" 1
832 1 47 ARG HA 1 47 ARG QD 2.800 . 3.800 3.336 2.041 4.011 0.211 12 0 "[ . 1 . 2]" 1
833 1 47 ARG HA 1 47 ARG QG 3.200 . 4.200 2.563 2.295 3.072 . 0 0 "[ . 1 . 2]" 1
834 1 47 ARG HA 1 48 GLN HA 4.700 . 4.700 4.319 4.135 4.410 . 0 0 "[ . 1 . 2]" 1
835 1 47 ARG HA 1 48 GLN QB 4.800 . 5.800 4.610 4.351 4.834 . 0 0 "[ . 1 . 2]" 1
836 1 47 ARG HA 1 48 GLN QE 4.100 . 5.100 4.450 2.905 5.174 0.074 2 0 "[ . 1 . 2]" 1
837 1 47 ARG HA 1 48 GLN QG 4.500 . 5.500 4.342 3.598 5.363 . 0 0 "[ . 1 . 2]" 1
838 1 47 ARG HA 1 50 ASP H 4.800 . 4.800 4.473 4.210 4.714 . 0 0 "[ . 1 . 2]" 1
839 1 47 ARG HA 1 51 LEU H 5.500 . 5.500 5.288 4.946 5.573 0.073 9 0 "[ . 1 . 2]" 1
840 1 47 ARG QB 1 47 ARG QD 3.200 . 4.200 2.281 1.985 2.891 . 0 0 "[ . 1 . 2]" 1
841 1 47 ARG QB 1 49 ASP H 4.400 . 5.400 2.493 1.966 2.997 . 0 0 "[ . 1 . 2]" 1
842 1 47 ARG QB 1 50 ASP H 3.400 . 4.400 2.583 2.068 3.261 . 0 0 "[ . 1 . 2]" 1
843 1 47 ARG HB2 1 50 ASP H 4.000 . 4.000 2.665 2.087 3.680 . 0 0 "[ . 1 . 2]" 1
844 1 47 ARG HB3 1 50 ASP H 4.000 . 4.000 3.618 3.000 4.034 0.034 18 0 "[ . 1 . 2]" 1
845 1 47 ARG QG 1 50 ASP H 5.000 . 6.000 4.560 4.014 5.213 . 0 0 "[ . 1 . 2]" 1
846 1 48 GLN HA 1 48 GLN QG 3.400 . 4.400 3.021 2.442 3.584 . 0 0 "[ . 1 . 2]" 1
847 1 48 GLN HA 1 50 ASP H 4.800 . 4.800 4.064 3.855 4.183 . 0 0 "[ . 1 . 2]" 1
848 1 48 GLN HA 1 51 LEU H 5.000 . 5.000 3.395 2.913 4.145 . 0 0 "[ . 1 . 2]" 1
849 1 48 GLN HA 1 51 LEU HB2 4.900 . 4.900 3.286 2.514 4.314 . 0 0 "[ . 1 . 2]" 1
850 1 48 GLN QB 1 49 ASP H 4.200 . 5.200 3.037 2.237 3.714 . 0 0 "[ . 1 . 2]" 1
851 1 48 GLN QE 1 82 ALA MB 4.800 . 5.800 3.318 2.190 4.439 . 0 0 "[ . 1 . 2]" 1
852 1 48 GLN HE21 1 82 ALA MB 5.500 . 6.500 3.688 2.209 5.238 . 0 0 "[ . 1 . 2]" 1
853 1 48 GLN HE22 1 82 ALA MB 5.500 . 6.500 4.037 2.412 5.925 . 0 0 "[ . 1 . 2]" 1
854 1 48 GLN QG 1 49 ASP H 4.800 . 5.800 3.264 1.978 4.466 . 0 0 "[ . 1 . 2]" 1
855 1 49 ASP H 1 50 ASP H 4.000 . 4.000 2.561 2.382 2.709 . 0 0 "[ . 1 . 2]" 1
856 1 49 ASP HA 1 52 ARG H 3.900 . 3.900 3.455 3.051 3.789 . 0 0 "[ . 1 . 2]" 1
857 1 49 ASP HA 1 52 ARG HA 5.500 . 5.500 5.354 4.719 5.602 0.102 1 0 "[ . 1 . 2]" 1
858 1 49 ASP HA 1 52 ARG QB 3.100 . 4.100 2.880 2.010 4.006 . 0 0 "[ . 1 . 2]" 1
859 1 49 ASP HA 1 52 ARG QD 5.300 . 6.300 3.145 2.042 5.360 . 0 0 "[ . 1 . 2]" 1
860 1 49 ASP QB 1 50 ASP H 3.800 . 4.800 2.930 2.508 3.626 . 0 0 "[ . 1 . 2]" 1
861 1 49 ASP QB 1 52 ARG QB 5.000 . 6.000 4.297 3.650 5.523 . 0 0 "[ . 1 . 2]" 1
862 1 49 ASP HB2 1 50 ASP H 4.400 . 4.400 3.555 2.643 4.136 . 0 0 "[ . 1 . 2]" 1
863 1 49 ASP HB3 1 50 ASP H 4.400 . 4.400 3.453 2.543 4.139 . 0 0 "[ . 1 . 2]" 1
864 1 50 ASP H 1 50 ASP HB2 4.100 . 4.100 2.491 2.270 2.586 . 0 0 "[ . 1 . 2]" 1
865 1 50 ASP H 1 50 ASP QB 3.300 . 4.300 2.408 2.197 2.533 . 0 0 "[ . 1 . 2]" 1
866 1 50 ASP H 1 50 ASP HB3 4.100 . 4.100 3.405 2.552 3.674 . 0 0 "[ . 1 . 2]" 1
867 1 50 ASP H 1 51 LEU HB2 5.200 . 5.200 4.690 4.293 4.902 . 0 0 "[ . 1 . 2]" 1
868 1 50 ASP H 1 51 LEU HB3 5.500 . 5.500 4.619 4.299 4.883 . 0 0 "[ . 1 . 2]" 1
869 1 50 ASP HA 1 52 ARG QB 4.900 . 5.900 4.788 4.236 6.053 0.153 7 0 "[ . 1 . 2]" 1
870 1 50 ASP HA 1 53 THR H 4.300 . 4.300 3.365 2.930 3.685 . 0 0 "[ . 1 . 2]" 1
871 1 50 ASP HA 1 53 THR HB 4.300 . 4.300 3.128 2.459 4.348 0.048 1 0 "[ . 1 . 2]" 1
872 1 50 ASP HA 1 53 THR MG 5.000 . 6.000 4.214 3.660 5.000 . 0 0 "[ . 1 . 2]" 1
873 1 50 ASP QB 1 51 LEU H 3.800 . 4.800 2.506 2.191 2.920 . 0 0 "[ . 1 . 2]" 1
874 1 50 ASP HB2 1 51 LEU H 4.400 . 4.400 2.830 2.226 4.032 . 0 0 "[ . 1 . 2]" 1
875 1 50 ASP HB3 1 51 LEU H 4.400 . 4.400 3.322 2.441 3.742 . 0 0 "[ . 1 . 2]" 1
876 1 51 LEU H 1 51 LEU HB2 3.100 . 3.100 2.419 2.257 2.565 . 0 0 "[ . 1 . 2]" 1
877 1 51 LEU H 1 51 LEU HB3 3.300 . 3.300 2.569 2.406 2.663 . 0 0 "[ . 1 . 2]" 1
878 1 51 LEU H 1 51 LEU MD1 4.400 . 5.400 4.085 3.933 4.317 . 0 0 "[ . 1 . 2]" 1
879 1 51 LEU H 1 51 LEU QD 3.900 . 4.900 3.690 3.613 3.789 . 0 0 "[ . 1 . 2]" 1
880 1 51 LEU H 1 51 LEU MD2 4.400 . 5.400 4.218 3.939 4.323 . 0 0 "[ . 1 . 2]" 1
881 1 51 LEU H 1 51 LEU HG 4.700 . 4.700 4.513 4.435 4.572 . 0 0 "[ . 1 . 2]" 1
882 1 51 LEU H 1 52 ARG H 3.500 . 3.500 2.689 2.536 2.879 . 0 0 "[ . 1 . 2]" 1
883 1 51 LEU H 1 53 THR H 4.900 . 4.900 4.124 3.979 4.420 . 0 0 "[ . 1 . 2]" 1
884 1 51 LEU HA 1 51 LEU MD1 3.900 . 4.900 2.481 2.050 3.753 . 0 0 "[ . 1 . 2]" 1
885 1 51 LEU HA 1 51 LEU QD 3.200 . 4.200 2.277 2.043 3.113 . 0 0 "[ . 1 . 2]" 1
886 1 51 LEU HA 1 51 LEU MD2 3.900 . 4.900 3.640 2.156 3.942 . 0 0 "[ . 1 . 2]" 1
887 1 51 LEU HA 1 54 LEU H 3.900 . 3.900 3.414 2.914 3.715 . 0 0 "[ . 1 . 2]" 1
888 1 51 LEU HB2 1 51 LEU MD1 3.300 . 4.300 2.398 2.203 3.235 . 0 0 "[ . 1 . 2]" 1
889 1 51 LEU HB2 1 51 LEU QD 2.900 . 3.900 2.154 2.094 2.413 . 0 0 "[ . 1 . 2]" 1
890 1 51 LEU HB2 1 51 LEU MD2 3.300 . 4.300 2.563 2.348 3.199 . 0 0 "[ . 1 . 2]" 1
891 1 51 LEU HB2 1 52 ARG H 4.300 . 4.300 3.827 3.648 4.014 . 0 0 "[ . 1 . 2]" 1
892 1 51 LEU HB3 1 51 LEU QD 3.100 . 4.100 2.224 2.124 2.366 . 0 0 "[ . 1 . 2]" 1
893 1 51 LEU HB3 1 52 ARG H 3.000 . 3.000 2.621 2.310 2.951 . 0 0 "[ . 1 . 2]" 1
894 1 51 LEU QD 1 52 ARG H 4.700 . 5.700 3.784 3.266 4.132 . 0 0 "[ . 1 . 2]" 1
895 1 51 LEU QD 1 52 ARG QB 5.400 . 6.400 4.649 3.820 5.259 . 0 0 "[ . 1 . 2]" 1
896 1 51 LEU QD 1 54 LEU H 5.000 . 6.000 4.441 3.775 4.910 . 0 0 "[ . 1 . 2]" 1
897 1 51 LEU QD 1 55 ALA H 5.300 . 6.300 4.334 3.423 5.205 . 0 0 "[ . 1 . 2]" 1
898 1 51 LEU QD 1 62 PRO QB 5.400 . 6.400 3.814 2.686 5.324 . 0 0 "[ . 1 . 2]" 1
899 1 51 LEU QD 1 66 THR H 5.200 . 6.200 3.722 2.803 4.995 . 0 0 "[ . 1 . 2]" 1
900 1 51 LEU QD 1 66 THR HA 5.200 . 6.200 2.774 2.132 3.429 . 0 0 "[ . 1 . 2]" 1
901 1 51 LEU MD1 1 52 ARG H 5.500 . 6.500 4.524 3.448 4.898 . 0 0 "[ . 1 . 2]" 1
902 1 51 LEU MD2 1 52 ARG H 5.500 . 6.500 4.167 3.326 4.612 . 0 0 "[ . 1 . 2]" 1
903 1 52 ARG H 1 52 ARG QB 3.000 . 4.000 2.356 2.157 2.689 . 0 0 "[ . 1 . 2]" 1
904 1 52 ARG H 1 52 ARG QD 5.000 . 6.000 4.003 3.367 4.791 . 0 0 "[ . 1 . 2]" 1
905 1 52 ARG H 1 52 ARG QG 4.800 . 5.800 2.967 2.113 4.036 . 0 0 "[ . 1 . 2]" 1
906 1 52 ARG H 1 53 THR H 3.500 . 3.500 2.656 2.532 2.846 . 0 0 "[ . 1 . 2]" 1
907 1 52 ARG H 1 54 LEU H 5.500 . 5.500 4.185 3.965 4.356 . 0 0 "[ . 1 . 2]" 1
908 1 52 ARG HA 1 52 ARG QD 4.800 . 5.800 3.802 2.054 4.279 . 0 0 "[ . 1 . 2]" 1
909 1 52 ARG HA 1 52 ARG QG 3.100 . 4.100 2.641 2.354 3.503 . 0 0 "[ . 1 . 2]" 1
910 1 52 ARG HA 1 55 ALA H 5.200 . 5.200 3.535 3.177 4.153 . 0 0 "[ . 1 . 2]" 1
911 1 52 ARG QB 1 52 ARG QD 2.900 . 3.900 2.327 2.049 2.791 . 0 0 "[ . 1 . 2]" 1
912 1 52 ARG QB 1 53 THR H 3.300 . 4.300 2.774 2.357 3.673 . 0 0 "[ . 1 . 2]" 1
913 1 52 ARG QB 1 53 THR HB 5.500 . 6.500 4.975 4.529 5.775 . 0 0 "[ . 1 . 2]" 1
914 1 52 ARG QB 1 54 LEU H 5.000 . 6.000 4.801 4.627 5.265 . 0 0 "[ . 1 . 2]" 1
915 1 52 ARG QB 1 55 ALA H 5.500 . 6.500 4.970 4.591 5.460 . 0 0 "[ . 1 . 2]" 1
916 1 52 ARG QB 1 56 VAL MG2 5.100 . 6.100 4.128 3.345 4.929 . 0 0 "[ . 1 . 2]" 1
917 1 53 THR H 1 53 THR HB 3.200 . 3.200 2.538 2.447 2.658 . 0 0 "[ . 1 . 2]" 1
918 1 53 THR H 1 53 THR MG 3.900 . 4.900 3.733 3.692 3.774 . 0 0 "[ . 1 . 2]" 1
919 1 53 THR H 1 54 LEU H 3.400 . 3.400 2.598 2.351 2.740 . 0 0 "[ . 1 . 2]" 1
920 1 53 THR H 1 56 VAL H 5.400 . 5.400 4.955 4.736 5.224 . 0 0 "[ . 1 . 2]" 1
921 1 53 THR HA 1 53 THR MG 3.400 . 4.400 2.374 2.313 2.437 . 0 0 "[ . 1 . 2]" 1
922 1 53 THR HA 1 56 VAL HB 4.300 . 4.300 3.143 2.661 3.770 . 0 0 "[ . 1 . 2]" 1
923 1 53 THR HA 1 56 VAL MG2 3.600 . 4.600 2.772 2.325 3.358 . 0 0 "[ . 1 . 2]" 1
924 1 53 THR HA 1 57 ILE MD 5.500 . 6.500 4.915 4.473 5.531 . 0 0 "[ . 1 . 2]" 1
925 1 53 THR HB 1 54 LEU H 3.300 . 3.300 2.619 2.313 2.843 . 0 0 "[ . 1 . 2]" 1
926 1 53 THR HB 1 54 LEU QD 5.200 . 6.200 3.309 2.301 4.151 . 0 0 "[ . 1 . 2]" 1
927 1 53 THR HB 1 57 ILE MD 5.500 . 6.500 4.152 3.643 4.935 . 0 0 "[ . 1 . 2]" 1
928 1 53 THR MG 1 54 LEU H 4.400 . 5.400 3.608 3.351 3.817 . 0 0 "[ . 1 . 2]" 1
929 1 53 THR MG 1 56 VAL H 5.500 . 6.500 4.514 4.268 4.900 . 0 0 "[ . 1 . 2]" 1
930 1 53 THR MG 1 57 ILE H 5.100 . 6.100 4.228 3.843 4.740 . 0 0 "[ . 1 . 2]" 1
931 1 53 THR MG 1 57 ILE MD 3.500 . 4.500 2.612 2.008 3.535 . 0 0 "[ . 1 . 2]" 1
932 1 53 THR MG 1 57 ILE HG13 5.100 . 6.100 3.050 2.573 3.614 . 0 0 "[ . 1 . 2]" 1
933 1 54 LEU H 1 54 LEU HB2 3.800 . 3.800 2.407 2.227 2.526 . 0 0 "[ . 1 . 2]" 1
934 1 54 LEU H 1 54 LEU QB 3.100 . 4.100 2.371 2.204 2.480 . 0 0 "[ . 1 . 2]" 1
935 1 54 LEU H 1 54 LEU HB3 3.800 . 3.800 3.584 3.513 3.624 . 0 0 "[ . 1 . 2]" 1
936 1 54 LEU H 1 54 LEU MD1 4.200 . 5.200 2.892 1.970 3.743 . 0 0 "[ . 1 . 2]" 1
937 1 54 LEU H 1 54 LEU QD 3.500 . 4.500 2.618 1.964 3.141 . 0 0 "[ . 1 . 2]" 1
938 1 54 LEU H 1 54 LEU MD2 4.200 . 5.200 3.613 3.179 3.967 . 0 0 "[ . 1 . 2]" 1
939 1 54 LEU H 1 54 LEU HG 4.000 . 4.000 3.094 2.205 4.026 0.026 15 0 "[ . 1 . 2]" 1
940 1 54 LEU H 1 55 ALA H 3.200 . 3.200 2.701 2.530 2.893 . 0 0 "[ . 1 . 2]" 1
941 1 54 LEU H 1 55 ALA MB 4.400 . 5.400 4.335 4.204 4.516 . 0 0 "[ . 1 . 2]" 1
942 1 54 LEU H 1 56 VAL H 4.500 . 4.500 4.128 3.931 4.403 . 0 0 "[ . 1 . 2]" 1
943 1 54 LEU H 1 56 VAL MG2 5.500 . 6.500 4.856 4.532 5.147 . 0 0 "[ . 1 . 2]" 1
944 1 54 LEU H 1 57 ILE MD 4.600 . 5.600 4.219 3.874 4.582 . 0 0 "[ . 1 . 2]" 1
945 1 54 LEU HA 1 54 LEU QD 3.200 . 4.200 2.300 1.962 2.802 . 0 0 "[ . 1 . 2]" 1
946 1 54 LEU HA 1 54 LEU HG 4.200 . 4.200 2.821 2.544 3.143 . 0 0 "[ . 1 . 2]" 1
947 1 54 LEU HA 1 57 ILE H 4.100 . 4.100 3.376 3.100 3.531 . 0 0 "[ . 1 . 2]" 1
948 1 54 LEU HA 1 57 ILE HB 3.800 . 3.800 3.072 2.645 3.602 . 0 0 "[ . 1 . 2]" 1
949 1 54 LEU HA 1 57 ILE MD 3.500 . 4.500 2.274 2.026 3.040 . 0 0 "[ . 1 . 2]" 1
950 1 54 LEU HA 1 57 ILE HG13 5.500 . 5.500 2.637 2.112 3.381 . 0 0 "[ . 1 . 2]" 1
951 1 54 LEU HA 1 57 ILE MG 4.600 . 5.600 4.252 3.954 4.495 . 0 0 "[ . 1 . 2]" 1
952 1 54 LEU QB 1 54 LEU QD 2.700 . 3.700 1.940 1.919 1.962 . 0 0 "[ . 1 . 2]" 1
953 1 54 LEU QB 1 55 ALA H 3.700 . 4.700 2.553 2.301 2.774 . 0 0 "[ . 1 . 2]" 1
954 1 54 LEU QB 1 65 LEU MD1 3.800 . 4.800 2.540 2.109 3.443 . 0 0 "[ . 1 . 2]" 1
955 1 54 LEU HB2 1 55 ALA H 4.500 . 4.500 2.638 2.343 2.888 . 0 0 "[ . 1 . 2]" 1
956 1 54 LEU HB3 1 55 ALA H 4.500 . 4.500 3.449 3.112 3.753 . 0 0 "[ . 1 . 2]" 1
957 1 54 LEU QD 1 57 ILE H 5.400 . 6.400 4.908 4.544 5.302 . 0 0 "[ . 1 . 2]" 1
958 1 54 LEU QD 1 57 ILE HB 4.600 . 5.600 4.298 3.458 5.180 . 0 0 "[ . 1 . 2]" 1
959 1 54 LEU QD 1 57 ILE MD 3.100 . 4.100 2.621 1.900 3.509 . 0 0 "[ . 1 . 2]" 1
960 1 54 LEU QD 1 58 TYR HE2 4.300 . 5.300 2.827 1.933 4.690 . 0 0 "[ . 1 . 2]" 1
961 1 54 LEU MD1 1 55 ALA H 5.500 . 6.500 4.275 3.876 4.649 . 0 0 "[ . 1 . 2]" 1
962 1 54 LEU MD1 1 58 TYR HE2 5.500 . 6.500 4.049 2.834 6.418 . 0 0 "[ . 1 . 2]" 1
963 1 54 LEU MD2 1 55 ALA H 5.500 . 6.500 4.633 4.438 4.829 . 0 0 "[ . 1 . 2]" 1
964 1 54 LEU MD2 1 58 TYR HE2 5.500 . 6.500 2.956 1.968 5.171 . 0 0 "[ . 1 . 2]" 1
965 1 54 LEU HG 1 65 LEU MD1 5.400 . 6.400 4.634 3.887 5.891 . 0 0 "[ . 1 . 2]" 1
966 1 55 ALA H 1 55 ALA MB 3.000 . 4.000 2.223 2.189 2.247 . 0 0 "[ . 1 . 2]" 1
967 1 55 ALA H 1 56 VAL H 3.600 . 3.600 2.678 2.440 2.848 . 0 0 "[ . 1 . 2]" 1
968 1 55 ALA H 1 56 VAL MG2 4.500 . 5.500 4.005 3.745 4.243 . 0 0 "[ . 1 . 2]" 1
969 1 55 ALA H 1 62 PRO QB 5.500 . 6.500 5.537 4.706 6.456 . 0 0 "[ . 1 . 2]" 1
970 1 55 ALA H 1 65 LEU MD1 5.500 . 6.500 3.739 3.352 4.174 . 0 0 "[ . 1 . 2]" 1
971 1 55 ALA H 1 65 LEU MD2 3.700 . 4.700 4.148 3.526 4.702 0.002 14 0 "[ . 1 . 2]" 1
972 1 55 ALA H 1 65 LEU HG 3.600 . 3.600 3.094 2.775 3.628 0.028 14 0 "[ . 1 . 2]" 1
973 1 55 ALA HA 1 58 TYR H 4.200 . 4.200 3.691 3.546 3.886 . 0 0 "[ . 1 . 2]" 1
974 1 55 ALA HA 1 58 TYR HB2 5.000 . 5.000 3.676 3.502 3.824 . 0 0 "[ . 1 . 2]" 1
975 1 55 ALA HA 1 58 TYR HB3 5.500 . 5.500 5.410 5.223 5.531 0.031 11 0 "[ . 1 . 2]" 1
976 1 55 ALA HA 1 60 GLN QB 5.100 . 6.100 2.901 2.289 3.216 . 0 0 "[ . 1 . 2]" 1
977 1 55 ALA HA 1 65 LEU MD2 3.200 . 4.200 2.761 2.116 3.172 . 0 0 "[ . 1 . 2]" 1
978 1 55 ALA HA 1 65 LEU HG 4.300 . 4.300 2.362 1.921 2.773 . 0 0 "[ . 1 . 2]" 1
979 1 55 ALA MB 1 56 VAL H 3.400 . 4.400 2.652 2.490 2.813 . 0 0 "[ . 1 . 2]" 1
980 1 55 ALA MB 1 56 VAL HB 5.500 . 6.500 4.693 4.557 4.829 . 0 0 "[ . 1 . 2]" 1
981 1 55 ALA MB 1 56 VAL MG2 3.500 . 4.500 3.048 2.879 3.167 . 0 0 "[ . 1 . 2]" 1
982 1 55 ALA MB 1 57 ILE H 5.500 . 6.500 4.515 4.399 4.682 . 0 0 "[ . 1 . 2]" 1
983 1 55 ALA MB 1 58 TYR H 5.500 . 6.500 4.785 4.606 4.933 . 0 0 "[ . 1 . 2]" 1
984 1 55 ALA MB 1 61 SER H 4.300 . 5.300 4.446 3.918 4.932 . 0 0 "[ . 1 . 2]" 1
985 1 55 ALA MB 1 61 SER HA 4.400 . 5.400 3.443 2.715 4.215 . 0 0 "[ . 1 . 2]" 1
986 1 55 ALA MB 1 62 PRO HA 2.900 . 3.900 2.374 1.975 2.798 . 0 0 "[ . 1 . 2]" 1
987 1 55 ALA MB 1 62 PRO QB 3.400 . 4.400 3.431 2.919 3.949 . 0 0 "[ . 1 . 2]" 1
988 1 55 ALA MB 1 62 PRO QD 4.100 . 5.100 2.806 2.305 3.385 . 0 0 "[ . 1 . 2]" 1
989 1 55 ALA MB 1 62 PRO QG 4.800 . 5.800 2.875 2.339 4.025 . 0 0 "[ . 1 . 2]" 1
990 1 55 ALA MB 1 64 VAL H 5.500 . 6.500 5.514 4.941 6.103 . 0 0 "[ . 1 . 2]" 1
991 1 55 ALA MB 1 64 VAL QG 4.700 . 5.700 4.895 3.913 5.649 . 0 0 "[ . 1 . 2]" 1
992 1 55 ALA MB 1 65 LEU H 4.500 . 5.500 4.287 3.730 4.744 . 0 0 "[ . 1 . 2]" 1
993 1 55 ALA MB 1 65 LEU MD1 4.100 . 5.100 3.293 2.800 3.750 . 0 0 "[ . 1 . 2]" 1
994 1 55 ALA MB 1 65 LEU MD2 3.400 . 4.400 3.511 3.047 3.868 . 0 0 "[ . 1 . 2]" 1
995 1 55 ALA MB 1 65 LEU HG 3.700 . 4.700 2.346 2.031 2.717 . 0 0 "[ . 1 . 2]" 1
996 1 56 VAL H 1 56 VAL HB 3.100 . 3.100 2.537 2.422 2.582 . 0 0 "[ . 1 . 2]" 1
997 1 56 VAL H 1 56 VAL MG1 3.800 . 4.800 3.779 3.739 3.800 . 0 0 "[ . 1 . 2]" 1
998 1 56 VAL H 1 56 VAL MG2 3.000 . 4.000 2.137 1.996 2.253 . 0 0 "[ . 1 . 2]" 1
999 1 56 VAL H 1 57 ILE H 3.500 . 3.500 2.484 2.391 2.571 . 0 0 "[ . 1 . 2]" 1
1000 1 56 VAL H 1 57 ILE MD 5.300 . 6.300 5.041 4.958 5.113 . 0 0 "[ . 1 . 2]" 1
1001 1 56 VAL H 1 57 ILE HG13 3.800 . 3.800 3.827 3.765 3.857 0.057 18 0 "[ . 1 . 2]" 1
1002 1 56 VAL H 1 58 TYR H 4.200 . 4.200 4.156 4.008 4.233 0.033 11 0 "[ . 1 . 2]" 1
1003 1 56 VAL H 1 65 LEU MD2 4.800 . 5.800 5.516 4.879 5.824 0.024 3 0 "[ . 1 . 2]" 1
1004 1 56 VAL HA 1 56 VAL MG1 3.300 . 4.300 2.423 2.381 2.469 . 0 0 "[ . 1 . 2]" 1
1005 1 56 VAL HA 1 56 VAL MG2 3.000 . 4.000 2.417 2.361 2.451 . 0 0 "[ . 1 . 2]" 1
1006 1 56 VAL HA 1 58 TYR H 4.700 . 4.700 4.402 3.998 4.670 . 0 0 "[ . 1 . 2]" 1
1007 1 56 VAL HA 1 59 ASP H 4.000 . 4.000 3.526 3.131 3.868 . 0 0 "[ . 1 . 2]" 1
1008 1 56 VAL HA 1 59 ASP HA 4.900 . 4.900 3.351 2.954 3.778 . 0 0 "[ . 1 . 2]" 1
1009 1 56 VAL HB 1 57 ILE H 3.800 . 3.800 2.711 2.478 2.952 . 0 0 "[ . 1 . 2]" 1
1010 1 56 VAL HB 1 57 ILE MD 4.900 . 5.900 4.838 4.459 5.236 . 0 0 "[ . 1 . 2]" 1
1011 1 56 VAL HB 1 58 TYR H 5.500 . 5.500 5.150 5.007 5.314 . 0 0 "[ . 1 . 2]" 1
1012 1 56 VAL MG1 1 57 ILE H 4.100 . 5.100 3.580 3.386 3.730 . 0 0 "[ . 1 . 2]" 1
1013 1 56 VAL MG1 1 57 ILE HA 5.000 . 6.000 3.587 3.326 3.776 . 0 0 "[ . 1 . 2]" 1
1014 1 56 VAL MG1 1 58 TYR H 5.500 . 6.500 5.093 4.831 5.313 . 0 0 "[ . 1 . 2]" 1
1015 1 56 VAL MG1 1 59 ASP H 4.500 . 5.500 4.495 4.131 4.761 . 0 0 "[ . 1 . 2]" 1
1016 1 56 VAL MG1 1 59 ASP HA 5.400 . 6.400 4.459 3.943 4.912 . 0 0 "[ . 1 . 2]" 1
1017 1 56 VAL MG2 1 57 ILE H 4.000 . 5.000 3.813 3.710 3.944 . 0 0 "[ . 1 . 2]" 1
1018 1 56 VAL MG2 1 57 ILE MD 5.500 . 6.500 5.509 5.225 5.797 . 0 0 "[ . 1 . 2]" 1
1019 1 56 VAL MG2 1 58 TYR H 5.500 . 6.500 5.444 5.251 5.578 . 0 0 "[ . 1 . 2]" 1
1020 1 57 ILE H 1 57 ILE HB 3.400 . 3.400 2.688 2.564 2.781 . 0 0 "[ . 1 . 2]" 1
1021 1 57 ILE H 1 57 ILE MD 3.900 . 4.900 3.601 3.514 3.667 . 0 0 "[ . 1 . 2]" 1
1022 1 57 ILE H 1 57 ILE HG12 3.500 . 3.500 3.155 3.016 3.237 . 0 0 "[ . 1 . 2]" 1
1023 1 57 ILE H 1 57 ILE HG13 3.500 . 3.500 1.971 1.865 2.024 . 0 0 "[ . 1 . 2]" 1
1024 1 57 ILE H 1 57 ILE MG 3.900 . 4.900 3.803 3.758 3.824 . 0 0 "[ . 1 . 2]" 1
1025 1 57 ILE H 1 58 TYR H 3.900 . 3.900 2.674 2.544 2.780 . 0 0 "[ . 1 . 2]" 1
1026 1 57 ILE HA 1 57 ILE MD 3.900 . 4.900 3.876 3.814 3.908 . 0 0 "[ . 1 . 2]" 1
1027 1 57 ILE HA 1 57 ILE HG12 4.200 . 4.200 2.614 2.513 2.689 . 0 0 "[ . 1 . 2]" 1
1028 1 57 ILE HA 1 57 ILE HG13 3.900 . 3.900 3.163 3.091 3.229 . 0 0 "[ . 1 . 2]" 1
1029 1 57 ILE HA 1 57 ILE MG 3.500 . 4.500 2.361 2.306 2.386 . 0 0 "[ . 1 . 2]" 1
1030 1 57 ILE HA 1 59 ASP H 5.500 . 5.500 3.941 3.806 4.089 . 0 0 "[ . 1 . 2]" 1
1031 1 57 ILE HB 1 57 ILE MD 3.500 . 4.500 2.455 2.427 2.478 . 0 0 "[ . 1 . 2]" 1
1032 1 57 ILE HB 1 58 TYR H 3.800 . 3.800 2.575 2.367 2.915 . 0 0 "[ . 1 . 2]" 1
1033 1 57 ILE HB 1 58 TYR HB2 5.500 . 5.500 4.678 4.411 4.841 . 0 0 "[ . 1 . 2]" 1
1034 1 57 ILE HB 1 58 TYR HE1 4.700 . 4.700 3.423 3.290 3.548 . 0 0 "[ . 1 . 2]" 1
1035 1 57 ILE HB 1 58 TYR HE2 4.900 . 4.900 4.723 4.328 4.973 0.073 8 0 "[ . 1 . 2]" 1
1036 1 57 ILE HB 1 59 ASP H 5.500 . 5.500 4.592 4.432 4.855 . 0 0 "[ . 1 . 2]" 1
1037 1 57 ILE MD 1 57 ILE MG 3.000 . 4.000 1.926 1.898 1.952 . 0 0 "[ . 1 . 2]" 1
1038 1 57 ILE MD 1 58 TYR H 5.300 . 6.300 4.532 4.357 4.764 . 0 0 "[ . 1 . 2]" 1
1039 1 57 ILE HG13 1 57 ILE MG 3.200 . 4.200 3.194 3.182 3.207 . 0 0 "[ . 1 . 2]" 1
1040 1 57 ILE HG13 1 58 TYR H 5.500 . 5.500 3.980 3.773 4.118 . 0 0 "[ . 1 . 2]" 1
1041 1 57 ILE HG13 1 58 TYR HE1 5.500 . 5.500 5.547 5.518 5.582 0.082 5 0 "[ . 1 . 2]" 1
1042 1 57 ILE MG 1 58 TYR H 3.900 . 4.900 3.577 3.429 3.834 . 0 0 "[ . 1 . 2]" 1
1043 1 57 ILE MG 1 58 TYR HA 4.200 . 5.200 3.518 3.354 3.728 . 0 0 "[ . 1 . 2]" 1
1044 1 57 ILE MG 1 58 TYR HD1 4.100 . 5.100 2.627 2.412 2.867 . 0 0 "[ . 1 . 2]" 1
1045 1 57 ILE MG 1 58 TYR HE1 3.800 . 4.800 2.718 2.527 2.956 . 0 0 "[ . 1 . 2]" 1
1046 1 57 ILE MG 1 59 ASP H 5.500 . 6.500 4.697 4.592 4.831 . 0 0 "[ . 1 . 2]" 1
1047 1 58 TYR H 1 58 TYR HB2 3.700 . 3.700 2.701 2.599 2.787 . 0 0 "[ . 1 . 2]" 1
1048 1 58 TYR H 1 58 TYR HB3 3.800 . 3.800 3.697 3.666 3.743 . 0 0 "[ . 1 . 2]" 1
1049 1 58 TYR H 1 58 TYR HD1 3.900 . 3.900 3.499 3.347 3.754 . 0 0 "[ . 1 . 2]" 1
1050 1 58 TYR H 1 58 TYR HD2 4.100 . 4.100 3.708 3.375 3.998 . 0 0 "[ . 1 . 2]" 1
1051 1 58 TYR H 1 58 TYR HE1 5.500 . 5.500 4.910 4.737 5.083 . 0 0 "[ . 1 . 2]" 1
1052 1 58 TYR H 1 58 TYR HE2 5.500 . 5.500 5.057 4.699 5.407 . 0 0 "[ . 1 . 2]" 1
1053 1 58 TYR H 1 59 ASP H 3.600 . 3.600 2.340 2.223 2.507 . 0 0 "[ . 1 . 2]" 1
1054 1 58 TYR H 1 59 ASP HA 5.000 . 5.000 4.441 4.233 4.618 . 0 0 "[ . 1 . 2]" 1
1055 1 58 TYR H 1 60 GLN QB 5.300 . 6.300 4.644 4.246 5.126 . 0 0 "[ . 1 . 2]" 1
1056 1 58 TYR H 1 60 GLN QG 5.300 . 6.300 4.678 4.009 6.307 0.007 9 0 "[ . 1 . 2]" 1
1057 1 58 TYR H 1 65 LEU MD2 4.700 . 5.700 4.513 3.930 4.814 . 0 0 "[ . 1 . 2]" 1
1058 1 58 TYR HA 1 58 TYR HD1 3.800 . 3.800 2.298 2.176 2.501 . 0 0 "[ . 1 . 2]" 1
1059 1 58 TYR HA 1 58 TYR HE1 5.500 . 5.500 4.716 4.574 4.899 . 0 0 "[ . 1 . 2]" 1
1060 1 58 TYR HA 1 59 ASP H 3.500 . 3.500 3.205 3.108 3.322 . 0 0 "[ . 1 . 2]" 1
1061 1 58 TYR HA 1 60 GLN H 5.300 . 5.300 5.090 4.608 5.368 0.068 10 0 "[ . 1 . 2]" 1
1062 1 58 TYR HB2 1 59 ASP H 3.900 . 3.900 3.560 3.316 3.763 . 0 0 "[ . 1 . 2]" 1
1063 1 58 TYR HB2 1 60 GLN H 5.400 . 5.400 3.639 3.006 4.213 . 0 0 "[ . 1 . 2]" 1
1064 1 58 TYR HB2 1 60 GLN QB 5.300 . 6.300 3.130 2.663 3.650 . 0 0 "[ . 1 . 2]" 1
1065 1 58 TYR HB2 1 60 GLN QG 4.400 . 5.400 2.693 1.881 4.634 . 0 0 "[ . 1 . 2]" 1
1066 1 58 TYR HB2 1 65 LEU MD1 5.500 . 6.500 5.624 5.088 6.373 . 0 0 "[ . 1 . 2]" 1
1067 1 58 TYR HB2 1 65 LEU MD2 4.800 . 5.800 3.206 2.754 3.946 . 0 0 "[ . 1 . 2]" 1
1068 1 58 TYR HB3 1 59 ASP H 4.600 . 4.600 4.381 4.265 4.496 . 0 0 "[ . 1 . 2]" 1
1069 1 58 TYR HB3 1 60 GLN H 5.400 . 5.400 4.990 4.344 5.418 0.018 5 0 "[ . 1 . 2]" 1
1070 1 58 TYR HB3 1 65 LEU MD2 5.500 . 6.500 4.245 3.798 4.991 . 0 0 "[ . 1 . 2]" 1
1071 1 58 TYR HE2 1 65 LEU MD1 5.100 . 6.100 3.716 2.966 4.474 . 0 0 "[ . 1 . 2]" 1
1072 1 58 TYR HE2 1 65 LEU MD2 4.600 . 5.600 2.649 2.095 3.347 . 0 0 "[ . 1 . 2]" 1
1073 1 59 ASP H 1 59 ASP HA 2.800 . 2.800 2.229 2.194 2.267 . 0 0 "[ . 1 . 2]" 1
1074 1 59 ASP H 1 59 ASP HB2 4.000 . 4.000 3.233 2.959 3.728 . 0 0 "[ . 1 . 2]" 1
1075 1 59 ASP H 1 59 ASP QB 3.500 . 4.500 3.051 2.811 3.446 . 0 0 "[ . 1 . 2]" 1
1076 1 59 ASP H 1 59 ASP HB3 4.000 . 4.000 3.748 3.507 4.063 0.063 17 0 "[ . 1 . 2]" 1
1077 1 59 ASP H 1 60 GLN H 3.000 . 3.000 2.768 2.517 3.008 0.008 18 0 "[ . 1 . 2]" 1
1078 1 59 ASP H 1 60 GLN HA 5.500 . 5.500 5.302 5.164 5.488 . 0 0 "[ . 1 . 2]" 1
1079 1 59 ASP HA 1 60 GLN H 3.100 . 3.100 2.512 2.182 2.926 . 0 0 "[ . 1 . 2]" 1
1080 1 60 GLN H 1 60 GLN QB 3.200 . 4.200 2.583 2.379 2.756 . 0 0 "[ . 1 . 2]" 1
1081 1 60 GLN H 1 60 GLN QG 3.400 . 4.400 3.072 2.730 4.074 . 0 0 "[ . 1 . 2]" 1
1082 1 60 GLN HA 1 61 SER H 3.400 . 3.400 2.346 2.098 2.541 . 0 0 "[ . 1 . 2]" 1
1083 1 60 GLN HA 1 64 VAL QG 5.400 . 6.400 3.968 3.439 4.829 . 0 0 "[ . 1 . 2]" 1
1084 1 60 GLN QB 1 61 SER H 3.100 . 4.100 2.537 2.136 3.561 . 0 0 "[ . 1 . 2]" 1
1085 1 60 GLN QB 1 65 LEU MD2 5.300 . 6.300 2.716 2.145 3.598 . 0 0 "[ . 1 . 2]" 1
1086 1 60 GLN QE 1 64 VAL QG 4.200 . 5.200 3.555 2.330 4.921 . 0 0 "[ . 1 . 2]" 1
1087 1 60 GLN QG 1 61 SER H 5.300 . 6.300 3.992 2.442 4.468 . 0 0 "[ . 1 . 2]" 1
1088 1 61 SER H 1 61 SER HB2 4.000 . 4.000 2.694 2.459 3.578 . 0 0 "[ . 1 . 2]" 1
1089 1 61 SER H 1 61 SER QB 3.400 . 4.400 2.375 2.189 2.796 . 0 0 "[ . 1 . 2]" 1
1090 1 61 SER H 1 61 SER HB3 4.000 . 4.000 2.901 2.318 3.594 . 0 0 "[ . 1 . 2]" 1
1091 1 61 SER H 1 64 VAL H 4.800 . 4.800 4.256 3.599 4.631 . 0 0 "[ . 1 . 2]" 1
1092 1 61 SER H 1 64 VAL MG1 4.200 . 5.200 3.609 2.076 4.506 . 0 0 "[ . 1 . 2]" 1
1093 1 61 SER H 1 64 VAL QG 3.700 . 4.700 2.815 2.073 3.495 . 0 0 "[ . 1 . 2]" 1
1094 1 61 SER H 1 64 VAL MG2 4.200 . 5.200 3.664 2.346 5.102 . 0 0 "[ . 1 . 2]" 1
1095 1 61 SER HA 1 62 PRO QD 3.100 . 4.100 2.018 1.967 2.137 . 0 0 "[ . 1 . 2]" 1
1096 1 61 SER HA 1 62 PRO QG 5.100 . 6.100 3.920 3.861 4.019 . 0 0 "[ . 1 . 2]" 1
1097 1 61 SER QB 1 62 PRO QD 3.800 . 4.800 2.975 2.267 3.484 . 0 0 "[ . 1 . 2]" 1
1098 1 61 SER QB 1 64 VAL H 5.200 . 6.200 2.900 2.517 3.666 . 0 0 "[ . 1 . 2]" 1
1099 1 61 SER QB 1 64 VAL HB 5.300 . 6.300 3.722 2.390 5.108 . 0 0 "[ . 1 . 2]" 1
1100 1 61 SER QB 1 64 VAL QG 4.200 . 5.200 2.361 2.006 3.474 . 0 0 "[ . 1 . 2]" 1
1101 1 62 PRO HA 1 65 LEU H 4.000 . 4.000 3.618 3.334 3.951 . 0 0 "[ . 1 . 2]" 1
1102 1 62 PRO HA 1 65 LEU HB2 4.700 . 4.700 3.184 2.531 3.775 . 0 0 "[ . 1 . 2]" 1
1103 1 62 PRO HA 1 65 LEU QB 3.800 . 4.800 2.366 2.011 2.715 . 0 0 "[ . 1 . 2]" 1
1104 1 62 PRO HA 1 65 LEU HB3 4.700 . 4.700 2.445 2.051 2.805 . 0 0 "[ . 1 . 2]" 1
1105 1 62 PRO HA 1 65 LEU MD2 4.700 . 5.700 4.821 4.193 5.239 . 0 0 "[ . 1 . 2]" 1
1106 1 62 PRO HA 1 66 THR H 4.300 . 4.300 3.894 3.595 4.193 . 0 0 "[ . 1 . 2]" 1
1107 1 62 PRO QB 1 63 SER HA 4.100 . 5.100 3.822 3.756 3.970 . 0 0 "[ . 1 . 2]" 1
1108 1 62 PRO QB 1 63 SER QB 5.300 . 6.300 4.358 3.682 4.945 . 0 0 "[ . 1 . 2]" 1
1109 1 62 PRO QB 1 66 THR H 5.400 . 6.400 4.720 4.316 4.937 . 0 0 "[ . 1 . 2]" 1
1110 1 63 SER H 1 64 VAL H 5.300 . 5.300 2.803 2.659 2.973 . 0 0 "[ . 1 . 2]" 1
1111 1 63 SER QB 1 64 VAL QG 3.600 . 4.600 3.199 2.607 4.155 . 0 0 "[ . 1 . 2]" 1
1112 1 63 SER HB2 1 64 VAL H 4.200 . 4.200 2.708 2.195 4.013 . 0 0 "[ . 1 . 2]" 1
1113 1 63 SER HB3 1 64 VAL H 4.200 . 4.200 3.476 2.377 3.786 . 0 0 "[ . 1 . 2]" 1
1114 1 64 VAL H 1 64 VAL HB 3.700 . 3.700 2.800 2.501 3.696 . 0 0 "[ . 1 . 2]" 1
1115 1 64 VAL H 1 64 VAL MG1 4.000 . 5.000 2.999 2.050 3.794 . 0 0 "[ . 1 . 2]" 1
1116 1 64 VAL H 1 64 VAL QG 3.500 . 4.500 2.066 1.900 2.221 . 0 0 "[ . 1 . 2]" 1
1117 1 64 VAL H 1 64 VAL MG2 4.000 . 5.000 2.607 1.905 3.836 . 0 0 "[ . 1 . 2]" 1
1118 1 64 VAL H 1 65 LEU H 3.400 . 3.400 2.496 2.272 2.659 . 0 0 "[ . 1 . 2]" 1
1119 1 64 VAL H 1 65 LEU HB2 5.500 . 5.500 4.625 4.325 4.918 . 0 0 "[ . 1 . 2]" 1
1120 1 64 VAL H 1 65 LEU HB3 5.500 . 5.500 4.742 4.508 4.983 . 0 0 "[ . 1 . 2]" 1
1121 1 64 VAL H 1 66 THR H 5.000 . 5.000 4.254 4.000 4.505 . 0 0 "[ . 1 . 2]" 1
1122 1 64 VAL H 1 67 GLU QG 5.500 . 6.500 4.835 4.093 6.420 . 0 0 "[ . 1 . 2]" 1
1123 1 64 VAL HA 1 64 VAL MG1 3.300 . 4.300 2.654 2.352 3.250 . 0 0 "[ . 1 . 2]" 1
1124 1 64 VAL HA 1 64 VAL QG 2.900 . 3.900 2.234 2.144 2.361 . 0 0 "[ . 1 . 2]" 1
1125 1 64 VAL HA 1 64 VAL MG2 3.300 . 4.300 2.571 2.348 3.239 . 0 0 "[ . 1 . 2]" 1
1126 1 64 VAL HA 1 67 GLU H 4.500 . 4.500 3.312 2.984 3.677 . 0 0 "[ . 1 . 2]" 1
1127 1 64 VAL HA 1 67 GLU QG 4.700 . 5.700 3.026 1.924 4.212 . 0 0 "[ . 1 . 2]" 1
1128 1 64 VAL HA 1 68 GLN H 5.500 . 5.500 4.085 3.799 4.354 . 0 0 "[ . 1 . 2]" 1
1129 1 64 VAL HB 1 65 LEU H 4.100 . 4.100 3.313 2.378 4.098 . 0 0 "[ . 1 . 2]" 1
1130 1 64 VAL QG 1 65 LEU H 3.600 . 4.600 2.831 2.302 3.355 . 0 0 "[ . 1 . 2]" 1
1131 1 64 VAL QG 1 65 LEU HA 3.700 . 4.700 3.390 3.114 3.681 . 0 0 "[ . 1 . 2]" 1
1132 1 64 VAL QG 1 65 LEU MD2 3.700 . 4.700 4.214 3.530 4.583 . 0 0 "[ . 1 . 2]" 1
1133 1 64 VAL QG 1 67 GLU QG 4.600 . 5.600 3.964 3.256 4.912 . 0 0 "[ . 1 . 2]" 1
1134 1 64 VAL QG 1 68 GLN H 5.400 . 6.400 3.965 3.451 4.765 . 0 0 "[ . 1 . 2]" 1
1135 1 64 VAL QG 1 68 GLN QG 4.700 . 5.700 2.749 2.251 3.805 . 0 0 "[ . 1 . 2]" 1
1136 1 64 VAL MG1 1 65 LEU H 4.200 . 5.200 3.311 2.447 4.058 . 0 0 "[ . 1 . 2]" 1
1137 1 64 VAL MG2 1 65 LEU H 4.200 . 5.200 3.527 2.316 3.951 . 0 0 "[ . 1 . 2]" 1
1138 1 65 LEU H 1 65 LEU HB2 3.200 . 3.200 2.372 2.195 2.470 . 0 0 "[ . 1 . 2]" 1
1139 1 65 LEU H 1 65 LEU HB3 3.200 . 3.200 2.566 2.459 2.794 . 0 0 "[ . 1 . 2]" 1
1140 1 65 LEU H 1 65 LEU MD1 4.600 . 5.600 4.254 4.184 4.330 . 0 0 "[ . 1 . 2]" 1
1141 1 65 LEU H 1 65 LEU MD2 4.300 . 5.300 4.025 3.766 4.128 . 0 0 "[ . 1 . 2]" 1
1142 1 65 LEU H 1 66 THR H 3.700 . 3.700 2.738 2.589 2.898 . 0 0 "[ . 1 . 2]" 1
1143 1 65 LEU H 1 67 GLU H 5.500 . 5.500 4.052 3.848 4.286 . 0 0 "[ . 1 . 2]" 1
1144 1 65 LEU H 1 67 GLU QG 5.300 . 6.300 5.229 4.247 6.401 0.101 3 0 "[ . 1 . 2]" 1
1145 1 65 LEU HA 1 65 LEU MD1 3.300 . 4.300 3.124 2.677 3.295 . 0 0 "[ . 1 . 2]" 1
1146 1 65 LEU HA 1 65 LEU MD2 3.600 . 4.600 2.101 2.036 2.166 . 0 0 "[ . 1 . 2]" 1
1147 1 65 LEU HA 1 65 LEU HG 3.800 . 3.800 3.808 3.777 3.833 0.033 18 0 "[ . 1 . 2]" 1
1148 1 65 LEU HA 1 68 GLN H 5.500 . 5.500 3.573 3.386 3.795 . 0 0 "[ . 1 . 2]" 1
1149 1 65 LEU HA 1 68 GLN HB2 3.200 . 3.200 2.951 2.552 3.198 . 0 0 "[ . 1 . 2]" 1
1150 1 65 LEU HA 1 68 GLN QG 4.200 . 5.200 3.154 2.291 3.951 . 0 0 "[ . 1 . 2]" 1
1151 1 65 LEU HA 1 69 LEU MD2 4.500 . 5.500 3.847 3.367 5.242 . 0 0 "[ . 1 . 2]" 1
1152 1 65 LEU QB 1 65 LEU MD1 3.000 . 4.000 2.296 2.268 2.358 . 0 0 "[ . 1 . 2]" 1
1153 1 65 LEU QB 1 66 THR H 3.500 . 4.500 2.451 2.307 2.657 . 0 0 "[ . 1 . 2]" 1
1154 1 65 LEU QB 1 66 THR HA 5.300 . 6.300 4.127 3.966 4.220 . 0 0 "[ . 1 . 2]" 1
1155 1 65 LEU HB2 1 66 THR H 4.200 . 4.200 3.751 3.541 3.966 . 0 0 "[ . 1 . 2]" 1
1156 1 65 LEU HB3 1 66 THR H 4.200 . 4.200 2.485 2.331 2.699 . 0 0 "[ . 1 . 2]" 1
1157 1 65 LEU MD1 1 66 THR H 4.700 . 5.700 3.311 3.097 3.730 . 0 0 "[ . 1 . 2]" 1
1158 1 65 LEU MD1 1 66 THR HA 5.100 . 6.100 3.012 2.693 3.547 . 0 0 "[ . 1 . 2]" 1
1159 1 65 LEU MD2 1 66 THR H 4.800 . 5.800 4.478 4.330 4.698 . 0 0 "[ . 1 . 2]" 1
1160 1 65 LEU HG 1 66 THR H 5.300 . 5.300 4.817 4.630 5.033 . 0 0 "[ . 1 . 2]" 1
1161 1 66 THR H 1 66 THR HB 3.200 . 3.200 2.630 2.475 3.383 0.183 11 0 "[ . 1 . 2]" 1
1162 1 66 THR H 1 66 THR MG 3.900 . 4.900 3.442 2.143 3.769 . 0 0 "[ . 1 . 2]" 1
1163 1 66 THR H 1 67 GLU H 3.800 . 3.800 2.669 2.516 2.810 . 0 0 "[ . 1 . 2]" 1
1164 1 66 THR H 1 67 GLU QB 5.500 . 6.500 4.660 4.209 5.097 . 0 0 "[ . 1 . 2]" 1
1165 1 66 THR H 1 67 GLU QG 5.500 . 6.500 4.533 3.783 6.202 . 0 0 "[ . 1 . 2]" 1
1166 1 66 THR H 1 75 LEU QD 5.400 . 6.400 5.208 4.694 5.880 . 0 0 "[ . 1 . 2]" 1
1167 1 66 THR HA 1 66 THR MG 3.500 . 4.500 2.491 2.239 3.251 . 0 0 "[ . 1 . 2]" 1
1168 1 66 THR HA 1 69 LEU H 4.200 . 4.200 3.651 3.303 3.876 . 0 0 "[ . 1 . 2]" 1
1169 1 66 THR HA 1 69 LEU QB 5.000 . 6.000 2.908 2.139 3.606 . 0 0 "[ . 1 . 2]" 1
1170 1 66 THR HA 1 69 LEU MD2 4.200 . 5.200 3.610 2.838 5.026 . 0 0 "[ . 1 . 2]" 1
1171 1 66 THR HA 1 70 ILE H 5.500 . 5.500 4.239 3.887 4.641 . 0 0 "[ . 1 . 2]" 1
1172 1 66 THR HA 1 70 ILE MD 5.500 . 6.500 4.378 4.182 4.634 . 0 0 "[ . 1 . 2]" 1
1173 1 66 THR HA 1 70 ILE HG13 5.500 . 5.500 4.063 3.878 4.407 . 0 0 "[ . 1 . 2]" 1
1174 1 66 THR HA 1 75 LEU MD1 5.500 . 6.500 5.412 4.070 6.232 . 0 0 "[ . 1 . 2]" 1
1175 1 66 THR HA 1 75 LEU QD 4.800 . 5.800 3.036 2.542 3.650 . 0 0 "[ . 1 . 2]" 1
1176 1 66 THR HA 1 75 LEU MD2 5.500 . 6.500 3.062 2.548 3.675 . 0 0 "[ . 1 . 2]" 1
1177 1 66 THR HB 1 67 GLU H 4.100 . 4.100 2.844 2.400 4.119 0.019 17 0 "[ . 1 . 2]" 1
1178 1 66 THR MG 1 67 GLU H 4.000 . 5.000 3.417 2.334 4.015 . 0 0 "[ . 1 . 2]" 1
1179 1 66 THR MG 1 68 GLN H 5.500 . 6.500 5.083 4.521 5.554 . 0 0 "[ . 1 . 2]" 1
1180 1 66 THR MG 1 70 ILE H 5.500 . 6.500 4.338 3.761 5.411 . 0 0 "[ . 1 . 2]" 1
1181 1 66 THR MG 1 80 ARG H 5.300 . 6.300 4.162 3.177 5.493 . 0 0 "[ . 1 . 2]" 1
1182 1 66 THR MG 1 80 ARG HA 3.200 . 4.200 2.813 2.074 3.968 . 0 0 "[ . 1 . 2]" 1
1183 1 67 GLU H 1 67 GLU QB 3.200 . 4.200 2.408 2.118 2.629 . 0 0 "[ . 1 . 2]" 1
1184 1 67 GLU H 1 67 GLU QG 3.300 . 4.300 2.479 1.999 4.006 . 0 0 "[ . 1 . 2]" 1
1185 1 67 GLU H 1 68 GLN H 3.600 . 3.600 2.715 2.642 2.838 . 0 0 "[ . 1 . 2]" 1
1186 1 67 GLU H 1 68 GLN HB2 4.700 . 4.700 4.708 4.597 4.740 0.040 15 0 "[ . 1 . 2]" 1
1187 1 67 GLU H 1 70 ILE MD 5.500 . 6.500 4.379 3.909 4.805 . 0 0 "[ . 1 . 2]" 1
1188 1 67 GLU HA 1 67 GLU QG 3.500 . 4.500 2.610 2.285 3.335 . 0 0 "[ . 1 . 2]" 1
1189 1 67 GLU HA 1 70 ILE H 4.200 . 4.200 3.535 3.058 3.887 . 0 0 "[ . 1 . 2]" 1
1190 1 67 GLU HA 1 70 ILE HB 3.200 . 3.200 2.753 2.290 3.221 0.021 10 0 "[ . 1 . 2]" 1
1191 1 67 GLU HA 1 70 ILE MD 3.200 . 4.200 2.800 2.140 3.681 . 0 0 "[ . 1 . 2]" 1
1192 1 67 GLU HA 1 70 ILE MG 4.300 . 5.300 4.096 3.737 4.479 . 0 0 "[ . 1 . 2]" 1
1193 1 67 GLU QB 1 68 GLN H 3.700 . 4.700 2.679 2.321 3.558 . 0 0 "[ . 1 . 2]" 1
1194 1 67 GLU QB 1 70 ILE MD 4.600 . 5.600 4.478 3.620 5.354 . 0 0 "[ . 1 . 2]" 1
1195 1 67 GLU QB 1 71 SER H 4.800 . 5.800 4.656 4.282 5.427 . 0 0 "[ . 1 . 2]" 1
1196 1 67 GLU QB 1 71 SER QB 5.500 . 6.500 4.513 3.692 5.466 . 0 0 "[ . 1 . 2]" 1
1197 1 67 GLU QG 1 68 GLN H 4.200 . 5.200 4.016 2.350 4.417 . 0 0 "[ . 1 . 2]" 1
1198 1 67 GLU QG 1 68 GLN HB2 5.500 . 6.500 6.020 3.953 6.506 0.006 1 0 "[ . 1 . 2]" 1
1199 1 67 GLU QG 1 69 LEU H 5.500 . 6.500 5.894 4.701 6.294 . 0 0 "[ . 1 . 2]" 1
1200 1 67 GLU QG 1 70 ILE HB 5.500 . 6.500 4.794 3.780 5.554 . 0 0 "[ . 1 . 2]" 1
1201 1 68 GLN H 1 68 GLN HB2 3.000 . 3.000 2.345 2.274 2.463 . 0 0 "[ . 1 . 2]" 1
1202 1 68 GLN H 1 68 GLN HB3 3.500 . 3.500 3.547 3.533 3.562 0.062 7 0 "[ . 1 . 2]" 1
1203 1 68 GLN H 1 68 GLN HG2 4.000 . 4.000 2.632 2.171 3.672 . 0 0 "[ . 1 . 2]" 1
1204 1 68 GLN H 1 68 GLN QG 3.400 . 4.400 2.379 2.147 2.641 . 0 0 "[ . 1 . 2]" 1
1205 1 68 GLN H 1 68 GLN HG3 4.000 . 4.000 3.432 2.323 3.928 . 0 0 "[ . 1 . 2]" 1
1206 1 68 GLN H 1 69 LEU H 3.300 . 3.300 2.804 2.655 2.979 . 0 0 "[ . 1 . 2]" 1
1207 1 68 GLN H 1 69 LEU MD2 5.500 . 6.500 4.275 3.895 5.427 . 0 0 "[ . 1 . 2]" 1
1208 1 68 GLN HA 1 68 GLN QE 5.300 . 6.300 3.078 1.738 4.716 0.062 7 0 "[ . 1 . 2]" 1
1209 1 68 GLN HA 1 71 SER H 4.200 . 4.200 3.503 3.243 3.821 . 0 0 "[ . 1 . 2]" 1
1210 1 68 GLN HA 1 71 SER QB 4.200 . 5.200 2.848 2.345 4.041 . 0 0 "[ . 1 . 2]" 1
1211 1 68 GLN HA 1 72 TRP H 5.500 . 5.500 4.224 3.794 4.530 . 0 0 "[ . 1 . 2]" 1
1212 1 68 GLN HB2 1 68 GLN HG2 3.000 . 3.000 2.568 2.401 3.007 0.007 5 0 "[ . 1 . 2]" 1
1213 1 68 GLN HB2 1 68 GLN HG3 3.000 . 3.000 2.383 2.286 2.454 . 0 0 "[ . 1 . 2]" 1
1214 1 68 GLN HB3 1 69 LEU H 3.300 . 3.300 3.222 3.065 3.325 0.025 5 0 "[ . 1 . 2]" 1
1215 1 68 GLN QE 1 72 TRP HE1 4.800 . 5.800 3.892 2.686 4.672 . 0 0 "[ . 1 . 2]" 1
1216 1 68 GLN QE 1 72 TRP HZ2 4.700 . 5.700 3.865 1.870 5.581 . 0 0 "[ . 1 . 2]" 1
1217 1 68 GLN HE21 1 72 TRP HE1 5.500 . 5.500 4.684 3.055 5.537 0.037 14 0 "[ . 1 . 2]" 1
1218 1 68 GLN HE22 1 72 TRP HE1 5.500 . 5.500 4.311 2.978 5.511 0.011 2 0 "[ . 1 . 2]" 1
1219 1 68 GLN QG 1 72 TRP HE1 5.300 . 6.300 4.687 3.344 5.463 . 0 0 "[ . 1 . 2]" 1
1220 1 68 GLN HG2 1 69 LEU MD2 5.500 . 6.500 5.096 4.335 6.533 0.033 9 0 "[ . 1 . 2]" 1
1221 1 68 GLN HG2 1 72 TRP HZ2 5.500 . 5.500 4.991 3.818 5.531 0.031 7 0 "[ . 1 . 2]" 1
1222 1 68 GLN HG3 1 69 LEU MD2 5.500 . 6.500 4.702 3.990 6.511 0.011 9 0 "[ . 1 . 2]" 1
1223 1 68 GLN HG3 1 72 TRP HZ2 5.500 . 5.500 4.176 3.544 5.510 0.010 5 0 "[ . 1 . 2]" 1
1224 1 69 LEU H 1 69 LEU HB2 3.800 . 3.800 2.326 2.164 2.613 . 0 0 "[ . 1 . 2]" 1
1225 1 69 LEU H 1 69 LEU QB 3.000 . 4.000 2.295 2.143 2.557 . 0 0 "[ . 1 . 2]" 1
1226 1 69 LEU H 1 69 LEU HB3 3.800 . 3.800 3.547 3.445 3.631 . 0 0 "[ . 1 . 2]" 1
1227 1 69 LEU H 1 69 LEU MD2 3.600 . 4.600 2.390 1.923 3.523 . 0 0 "[ . 1 . 2]" 1
1228 1 69 LEU H 1 69 LEU HG 3.900 . 3.900 3.677 2.229 3.961 0.061 9 0 "[ . 1 . 2]" 1
1229 1 69 LEU H 1 70 ILE H 3.600 . 3.600 2.787 2.680 2.919 . 0 0 "[ . 1 . 2]" 1
1230 1 69 LEU H 1 70 ILE HA 5.500 . 5.500 5.373 5.307 5.469 . 0 0 "[ . 1 . 2]" 1
1231 1 69 LEU H 1 70 ILE MD 5.400 . 6.400 5.395 5.108 5.594 . 0 0 "[ . 1 . 2]" 1
1232 1 69 LEU H 1 75 LEU QD 4.600 . 5.600 4.366 3.903 4.656 . 0 0 "[ . 1 . 2]" 1
1233 1 69 LEU HA 1 69 LEU MD1 3.500 . 4.500 2.351 2.039 3.816 . 0 0 "[ . 1 . 2]" 1
1234 1 69 LEU HA 1 69 LEU MD2 3.800 . 4.800 2.524 2.060 3.819 . 0 0 "[ . 1 . 2]" 1
1235 1 69 LEU HA 1 72 TRP H 3.700 . 3.700 3.519 3.363 3.687 . 0 0 "[ . 1 . 2]" 1
1236 1 69 LEU HA 1 72 TRP HB2 4.200 . 4.200 3.107 2.876 3.345 . 0 0 "[ . 1 . 2]" 1
1237 1 69 LEU HA 1 72 TRP HE3 4.800 . 4.800 2.771 2.507 3.294 . 0 0 "[ . 1 . 2]" 1
1238 1 69 LEU HA 1 75 LEU QD 4.700 . 5.700 4.607 3.698 4.917 . 0 0 "[ . 1 . 2]" 1
1239 1 69 LEU QB 1 69 LEU MD2 3.100 . 4.100 2.358 2.081 2.448 . 0 0 "[ . 1 . 2]" 1
1240 1 69 LEU QB 1 70 ILE H 4.000 . 5.000 2.670 2.565 2.757 . 0 0 "[ . 1 . 2]" 1
1241 1 69 LEU QB 1 75 LEU QB 3.700 . 4.700 2.010 1.787 4.112 0.013 6 0 "[ . 1 . 2]" 1
1242 1 69 LEU QB 1 75 LEU QD 3.800 . 4.800 2.358 1.909 2.669 . 0 0 "[ . 1 . 2]" 1
1243 1 69 LEU MD1 1 70 ILE H 5.500 . 6.500 4.691 4.224 4.791 . 0 0 "[ . 1 . 2]" 1
1244 1 69 LEU MD1 1 70 ILE HA 5.500 . 6.500 5.500 5.186 5.915 . 0 0 "[ . 1 . 2]" 1
1245 1 69 LEU MD1 1 72 TRP H 5.500 . 6.500 5.236 4.844 6.513 0.013 11 0 "[ . 1 . 2]" 1
1246 1 69 LEU MD1 1 72 TRP HE3 4.000 . 5.000 2.756 2.148 5.076 0.076 11 0 "[ . 1 . 2]" 1
1247 1 69 LEU MD1 1 72 TRP HH2 4.800 . 5.800 4.386 3.486 5.425 . 0 0 "[ . 1 . 2]" 1
1248 1 69 LEU MD1 1 72 TRP HZ2 5.500 . 6.500 5.674 4.740 6.593 0.093 11 0 "[ . 1 . 2]" 1
1249 1 69 LEU MD1 1 72 TRP HZ3 4.100 . 5.100 2.750 2.201 4.587 . 0 0 "[ . 1 . 2]" 1
1250 1 69 LEU MD1 1 74 VAL H 5.500 . 6.500 4.587 3.931 5.953 . 0 0 "[ . 1 . 2]" 1
1251 1 69 LEU MD1 1 74 VAL HA 5.500 . 6.500 5.155 4.450 6.625 0.125 9 0 "[ . 1 . 2]" 1
1252 1 69 LEU MD1 1 74 VAL HB 4.800 . 5.800 3.066 2.118 5.239 . 0 0 "[ . 1 . 2]" 1
1253 1 69 LEU MD1 1 74 VAL MG1 3.900 . 4.900 2.828 1.884 4.918 0.018 15 0 "[ . 1 . 2]" 1
1254 1 69 LEU MD1 1 74 VAL QG 3.400 . 4.400 2.378 1.817 3.643 . 0 0 "[ . 1 . 2]" 1
1255 1 69 LEU MD1 1 74 VAL MG2 3.900 . 4.900 3.024 2.037 4.903 0.003 8 0 "[ . 1 . 2]" 1
1256 1 69 LEU MD1 1 75 LEU H 5.200 . 6.200 4.198 3.513 5.785 . 0 0 "[ . 1 . 2]" 1
1257 1 69 LEU MD2 1 70 ILE H 5.300 . 6.300 4.296 4.018 4.682 . 0 0 "[ . 1 . 2]" 1
1258 1 69 LEU MD2 1 72 TRP H 5.500 . 6.500 5.296 4.780 6.503 0.003 9 0 "[ . 1 . 2]" 1
1259 1 70 ILE H 1 70 ILE HB 2.900 . 2.900 2.481 2.417 2.597 . 0 0 "[ . 1 . 2]" 1
1260 1 70 ILE H 1 70 ILE MD 3.600 . 4.600 3.587 3.447 3.652 . 0 0 "[ . 1 . 2]" 1
1261 1 70 ILE H 1 70 ILE HG12 3.800 . 3.800 3.513 3.401 3.607 . 0 0 "[ . 1 . 2]" 1
1262 1 70 ILE H 1 70 ILE HG13 3.100 . 3.100 2.227 2.092 2.332 . 0 0 "[ . 1 . 2]" 1
1263 1 70 ILE H 1 70 ILE MG 4.200 . 5.200 3.775 3.744 3.817 . 0 0 "[ . 1 . 2]" 1
1264 1 70 ILE H 1 71 SER H 4.700 . 4.700 2.610 2.507 2.736 . 0 0 "[ . 1 . 2]" 1
1265 1 70 ILE H 1 75 LEU QB 5.300 . 6.300 3.418 3.105 5.492 . 0 0 "[ . 1 . 2]" 1
1266 1 70 ILE H 1 75 LEU QD 4.500 . 5.500 3.565 2.618 3.780 . 0 0 "[ . 1 . 2]" 1
1267 1 70 ILE HA 1 70 ILE MD 3.900 . 4.900 3.837 3.789 3.881 . 0 0 "[ . 1 . 2]" 1
1268 1 70 ILE HA 1 70 ILE HG12 3.500 . 3.500 2.527 2.468 2.603 . 0 0 "[ . 1 . 2]" 1
1269 1 70 ILE HA 1 70 ILE HG13 3.800 . 3.800 2.939 2.874 3.058 . 0 0 "[ . 1 . 2]" 1
1270 1 70 ILE HA 1 70 ILE MG 3.200 . 4.200 2.472 2.393 2.521 . 0 0 "[ . 1 . 2]" 1
1271 1 70 ILE HA 1 73 GLY H 4.600 . 4.600 3.475 3.209 3.889 . 0 0 "[ . 1 . 2]" 1
1272 1 70 ILE HA 1 75 LEU H 3.600 . 3.600 2.863 2.264 3.126 . 0 0 "[ . 1 . 2]" 1
1273 1 70 ILE HA 1 75 LEU HB2 4.600 . 4.600 4.448 4.096 4.739 0.139 14 0 "[ . 1 . 2]" 1
1274 1 70 ILE HA 1 75 LEU QB 4.000 . 5.000 2.891 2.479 4.193 . 0 0 "[ . 1 . 2]" 1
1275 1 70 ILE HA 1 75 LEU HB3 4.600 . 4.600 2.946 2.500 4.676 0.076 14 0 "[ . 1 . 2]" 1
1276 1 70 ILE HA 1 77 ALA HA 5.500 . 5.500 4.591 4.020 5.548 0.048 11 0 "[ . 1 . 2]" 1
1277 1 70 ILE HB 1 70 ILE MD 3.000 . 4.000 2.420 2.358 2.449 . 0 0 "[ . 1 . 2]" 1
1278 1 70 ILE HB 1 71 SER H 3.200 . 3.200 2.722 2.476 2.883 . 0 0 "[ . 1 . 2]" 1
1279 1 70 ILE HB 1 73 GLY H 5.500 . 5.500 5.412 5.305 5.519 0.019 17 0 "[ . 1 . 2]" 1
1280 1 70 ILE HB 1 75 LEU QB 5.300 . 6.300 4.720 4.357 6.344 0.044 14 0 "[ . 1 . 2]" 1
1281 1 70 ILE HB 1 77 ALA HA 5.500 . 5.500 4.497 4.225 5.512 0.012 8 0 "[ . 1 . 2]" 1
1282 1 70 ILE HB 1 77 ALA MB 5.500 . 6.500 5.080 4.354 6.257 . 0 0 "[ . 1 . 2]" 1
1283 1 70 ILE HB 1 79 ALA MB 5.500 . 6.500 5.934 5.143 6.569 0.069 10 0 "[ . 1 . 2]" 1
1284 1 70 ILE MD 1 70 ILE MG 2.800 . 3.800 1.955 1.922 1.983 . 0 0 "[ . 1 . 2]" 1
1285 1 70 ILE MD 1 71 SER H 4.800 . 5.800 4.669 4.413 4.824 . 0 0 "[ . 1 . 2]" 1
1286 1 70 ILE MD 1 77 ALA H 5.500 . 6.500 4.520 3.611 5.966 . 0 0 "[ . 1 . 2]" 1
1287 1 70 ILE MD 1 77 ALA HA 3.300 . 4.300 2.227 1.878 3.911 . 0 0 "[ . 1 . 2]" 1
1288 1 70 ILE MD 1 79 ALA MB 3.400 . 4.400 2.941 1.931 3.571 . 0 0 "[ . 1 . 2]" 1
1289 1 70 ILE MD 1 80 ARG H 3.900 . 4.900 2.943 2.380 3.798 . 0 0 "[ . 1 . 2]" 1
1290 1 70 ILE MD 1 80 ARG QD 4.700 . 5.700 2.772 1.904 3.713 . 0 0 "[ . 1 . 2]" 1
1291 1 70 ILE HG12 1 75 LEU QB 5.300 . 6.300 3.003 2.556 4.023 . 0 0 "[ . 1 . 2]" 1
1292 1 70 ILE HG12 1 75 LEU HG 5.300 . 5.300 3.064 1.971 3.718 . 0 0 "[ . 1 . 2]" 1
1293 1 70 ILE HG12 1 77 ALA HA 3.700 . 3.700 2.910 2.187 3.712 0.012 8 0 "[ . 1 . 2]" 1
1294 1 70 ILE HG12 1 79 ALA MB 5.200 . 6.200 3.659 3.169 4.205 . 0 0 "[ . 1 . 2]" 1
1295 1 70 ILE HG13 1 75 LEU H 5.000 . 5.000 4.817 4.479 5.035 0.035 13 0 "[ . 1 . 2]" 1
1296 1 70 ILE HG13 1 75 LEU QB 5.300 . 6.300 2.961 2.546 4.813 . 0 0 "[ . 1 . 2]" 1
1297 1 70 ILE HG13 1 75 LEU QD 3.800 . 4.800 2.454 2.212 2.856 . 0 0 "[ . 1 . 2]" 1
1298 1 70 ILE HG13 1 77 ALA HA 5.500 . 5.500 4.350 3.761 5.429 . 0 0 "[ . 1 . 2]" 1
1299 1 70 ILE MG 1 71 SER H 3.800 . 4.800 3.446 3.275 3.593 . 0 0 "[ . 1 . 2]" 1
1300 1 70 ILE MG 1 71 SER HA 4.000 . 5.000 3.414 3.255 3.539 . 0 0 "[ . 1 . 2]" 1
1301 1 70 ILE MG 1 72 TRP H 5.500 . 6.500 4.954 4.830 5.095 . 0 0 "[ . 1 . 2]" 1
1302 1 70 ILE MG 1 73 GLY H 4.600 . 5.600 4.380 4.204 4.534 . 0 0 "[ . 1 . 2]" 1
1303 1 70 ILE MG 1 74 VAL H 5.400 . 6.400 5.390 4.914 5.767 . 0 0 "[ . 1 . 2]" 1
1304 1 70 ILE MG 1 75 LEU H 5.000 . 6.000 4.730 4.098 4.978 . 0 0 "[ . 1 . 2]" 1
1305 1 70 ILE MG 1 76 ASP HA 5.400 . 6.400 4.133 2.910 5.440 . 0 0 "[ . 1 . 2]" 1
1306 1 70 ILE MG 1 77 ALA HA 3.300 . 4.300 2.281 1.874 3.268 . 0 0 "[ . 1 . 2]" 1
1307 1 70 ILE MG 1 77 ALA MB 3.400 . 4.400 2.629 2.010 3.479 . 0 0 "[ . 1 . 2]" 1
1308 1 70 ILE MG 1 78 ASP H 5.500 . 6.500 4.996 4.609 5.574 . 0 0 "[ . 1 . 2]" 1
1309 1 70 ILE MG 1 80 ARG H 5.500 . 6.500 5.124 4.515 6.180 . 0 0 "[ . 1 . 2]" 1
1310 1 71 SER H 1 71 SER QB 3.100 . 4.100 2.443 2.215 2.659 . 0 0 "[ . 1 . 2]" 1
1311 1 71 SER H 1 72 TRP H 3.300 . 3.300 2.651 2.530 2.739 . 0 0 "[ . 1 . 2]" 1
1312 1 71 SER H 1 72 TRP HD1 5.500 . 5.500 5.307 4.930 5.515 0.015 12 0 "[ . 1 . 2]" 1
1313 1 71 SER H 1 73 GLY H 4.900 . 4.900 3.892 3.725 4.045 . 0 0 "[ . 1 . 2]" 1
1314 1 72 TRP H 1 72 TRP HB2 3.100 . 3.100 2.564 2.501 2.639 . 0 0 "[ . 1 . 2]" 1
1315 1 72 TRP H 1 72 TRP HB3 3.700 . 3.700 3.645 3.613 3.670 . 0 0 "[ . 1 . 2]" 1
1316 1 72 TRP H 1 72 TRP HD1 3.800 . 3.800 3.340 2.976 3.585 . 0 0 "[ . 1 . 2]" 1
1317 1 72 TRP H 1 72 TRP HE1 5.500 . 5.500 4.905 4.695 5.084 . 0 0 "[ . 1 . 2]" 1
1318 1 72 TRP H 1 73 GLY H 3.600 . 3.600 2.427 2.315 2.533 . 0 0 "[ . 1 . 2]" 1
1319 1 72 TRP H 1 74 VAL QG 5.300 . 6.300 3.979 3.559 4.246 . 0 0 "[ . 1 . 2]" 1
1320 1 72 TRP H 1 75 LEU H 5.500 . 5.500 4.884 4.679 5.281 . 0 0 "[ . 1 . 2]" 1
1321 1 72 TRP HA 1 72 TRP HD1 3.500 . 3.500 2.437 2.284 2.597 . 0 0 "[ . 1 . 2]" 1
1322 1 72 TRP HA 1 74 VAL H 5.500 . 5.500 4.605 4.401 4.948 . 0 0 "[ . 1 . 2]" 1
1323 1 72 TRP HA 1 74 VAL QG 4.900 . 5.900 4.107 3.802 4.492 . 0 0 "[ . 1 . 2]" 1
1324 1 72 TRP HB2 1 72 TRP HE3 3.700 . 3.700 2.514 2.384 2.611 . 0 0 "[ . 1 . 2]" 1
1325 1 72 TRP HB2 1 73 GLY H 4.100 . 4.100 3.184 3.033 3.384 . 0 0 "[ . 1 . 2]" 1
1326 1 72 TRP HB2 1 74 VAL H 4.000 . 4.000 2.808 2.480 3.268 . 0 0 "[ . 1 . 2]" 1
1327 1 72 TRP HB2 1 74 VAL MG1 4.700 . 5.700 3.943 1.926 4.641 . 0 0 "[ . 1 . 2]" 1
1328 1 72 TRP HB2 1 74 VAL QG 3.400 . 4.400 2.051 1.924 2.257 . 0 0 "[ . 1 . 2]" 1
1329 1 72 TRP HB2 1 74 VAL MG2 4.700 . 5.700 2.217 1.989 4.607 . 0 0 "[ . 1 . 2]" 1
1330 1 72 TRP HB3 1 73 GLY H 4.500 . 4.500 4.109 3.962 4.269 . 0 0 "[ . 1 . 2]" 1
1331 1 72 TRP HB3 1 74 VAL H 4.400 . 4.400 3.989 3.615 4.419 0.019 14 0 "[ . 1 . 2]" 1
1332 1 72 TRP HB3 1 74 VAL QG 3.800 . 4.800 2.519 2.245 3.160 . 0 0 "[ . 1 . 2]" 1
1333 1 72 TRP HD1 1 73 GLY H 5.500 . 5.500 5.096 4.851 5.243 . 0 0 "[ . 1 . 2]" 1
1334 1 72 TRP HE3 1 73 GLY H 5.500 . 5.500 5.522 5.413 5.584 0.084 14 0 "[ . 1 . 2]" 1
1335 1 72 TRP HE3 1 74 VAL H 5.500 . 5.500 4.488 4.147 5.129 . 0 0 "[ . 1 . 2]" 1
1336 1 72 TRP HE3 1 74 VAL QG 3.800 . 4.800 2.226 1.953 2.603 . 0 0 "[ . 1 . 2]" 1
1337 1 72 TRP HZ3 1 74 VAL QG 5.400 . 6.400 3.687 3.151 4.122 . 0 0 "[ . 1 . 2]" 1
1338 1 73 GLY H 1 74 VAL H 3.500 . 3.500 2.339 2.125 2.489 . 0 0 "[ . 1 . 2]" 1
1339 1 73 GLY H 1 74 VAL QG 4.300 . 5.300 3.663 3.376 3.906 . 0 0 "[ . 1 . 2]" 1
1340 1 73 GLY H 1 75 LEU H 4.500 . 4.500 3.728 3.441 4.049 . 0 0 "[ . 1 . 2]" 1
1341 1 74 VAL H 1 74 VAL HB 3.700 . 3.700 2.790 2.449 3.732 0.032 9 0 "[ . 1 . 2]" 1
1342 1 74 VAL H 1 74 VAL MG1 4.000 . 5.000 3.437 1.952 3.820 . 0 0 "[ . 1 . 2]" 1
1343 1 74 VAL H 1 74 VAL QG 3.200 . 4.200 2.255 1.912 2.479 . 0 0 "[ . 1 . 2]" 1
1344 1 74 VAL H 1 74 VAL MG2 4.000 . 5.000 2.386 2.031 3.813 . 0 0 "[ . 1 . 2]" 1
1345 1 74 VAL H 1 75 LEU H 3.300 . 3.300 2.208 2.007 2.378 . 0 0 "[ . 1 . 2]" 1
1346 1 74 VAL H 1 75 LEU HA 5.500 . 5.500 4.893 4.721 5.020 . 0 0 "[ . 1 . 2]" 1
1347 1 74 VAL H 1 75 LEU QB 5.300 . 6.300 4.184 3.982 5.098 . 0 0 "[ . 1 . 2]" 1
1348 1 74 VAL HA 1 74 VAL MG1 3.400 . 4.400 2.458 2.378 3.202 . 0 0 "[ . 1 . 2]" 1
1349 1 74 VAL HA 1 74 VAL QG 2.900 . 3.900 2.204 2.130 2.411 . 0 0 "[ . 1 . 2]" 1
1350 1 74 VAL HA 1 74 VAL MG2 3.400 . 4.400 2.579 2.346 3.230 . 0 0 "[ . 1 . 2]" 1
1351 1 74 VAL HB 1 75 LEU H 4.300 . 4.300 3.086 2.491 4.302 0.002 9 0 "[ . 1 . 2]" 1
1352 1 74 VAL QG 1 75 LEU H 3.700 . 4.700 3.100 2.382 3.453 . 0 0 "[ . 1 . 2]" 1
1353 1 74 VAL QG 1 75 LEU HA 5.300 . 6.300 3.692 3.320 4.049 . 0 0 "[ . 1 . 2]" 1
1354 1 74 VAL QG 1 75 LEU QB 5.300 . 6.300 3.205 2.513 3.642 . 0 0 "[ . 1 . 2]" 1
1355 1 74 VAL MG1 1 75 LEU H 4.600 . 5.600 3.610 2.418 4.157 . 0 0 "[ . 1 . 2]" 1
1356 1 74 VAL MG2 1 75 LEU H 4.600 . 5.600 3.576 2.476 3.903 . 0 0 "[ . 1 . 2]" 1
1357 1 75 LEU H 1 75 LEU HB2 4.000 . 4.000 2.994 2.796 3.900 . 0 0 "[ . 1 . 2]" 1
1358 1 75 LEU H 1 75 LEU QB 3.400 . 4.400 2.439 2.279 3.130 . 0 0 "[ . 1 . 2]" 1
1359 1 75 LEU H 1 75 LEU HB3 4.000 . 4.000 2.584 2.415 3.297 . 0 0 "[ . 1 . 2]" 1
1360 1 75 LEU H 1 75 LEU MD1 5.500 . 6.500 4.315 4.262 4.404 . 0 0 "[ . 1 . 2]" 1
1361 1 75 LEU H 1 75 LEU MD2 5.500 . 6.500 4.288 1.978 4.608 . 0 0 "[ . 1 . 2]" 1
1362 1 75 LEU H 1 76 ASP H 5.100 . 5.100 4.403 4.305 4.503 . 0 0 "[ . 1 . 2]" 1
1363 1 75 LEU HA 1 75 LEU MD1 3.900 . 4.900 2.232 2.098 4.060 . 0 0 "[ . 1 . 2]" 1
1364 1 75 LEU HA 1 75 LEU QD 3.300 . 4.300 2.188 2.090 3.353 . 0 0 "[ . 1 . 2]" 1
1365 1 75 LEU HA 1 75 LEU MD2 3.900 . 4.900 3.889 3.574 3.927 . 0 0 "[ . 1 . 2]" 1
1366 1 75 LEU HA 1 76 ASP H 3.000 . 3.000 2.271 2.144 2.448 . 0 0 "[ . 1 . 2]" 1
1367 1 75 LEU HA 1 76 ASP QB 4.600 . 5.600 4.116 4.017 4.648 . 0 0 "[ . 1 . 2]" 1
1368 1 75 LEU QB 1 76 ASP H 4.000 . 5.000 3.421 1.851 3.642 . 0 0 "[ . 1 . 2]" 1
1369 1 75 LEU QD 1 76 ASP H 3.400 . 4.400 2.239 1.976 3.278 . 0 0 "[ . 1 . 2]" 1
1370 1 75 LEU QD 1 76 ASP QB 3.900 . 4.900 3.494 3.140 4.075 . 0 0 "[ . 1 . 2]" 1
1371 1 75 LEU QD 1 78 ASP H 5.400 . 6.400 5.593 5.271 5.924 . 0 0 "[ . 1 . 2]" 1
1372 1 75 LEU QD 1 79 ALA H 5.100 . 6.100 4.177 3.858 4.494 . 0 0 "[ . 1 . 2]" 1
1373 1 75 LEU QD 1 79 ALA MB 3.400 . 4.400 2.108 1.845 2.325 . 0 0 "[ . 1 . 2]" 1
1374 1 75 LEU MD1 1 76 ASP H 4.400 . 5.400 2.254 1.981 3.411 . 0 0 "[ . 1 . 2]" 1
1375 1 75 LEU MD2 1 76 ASP H 4.400 . 5.400 4.114 3.861 4.411 . 0 0 "[ . 1 . 2]" 1
1376 1 75 LEU HG 1 76 ASP H 3.200 . 3.200 2.582 2.180 3.247 0.047 14 0 "[ . 1 . 2]" 1
1377 1 76 ASP H 1 76 ASP QB 3.300 . 4.300 2.286 2.188 2.506 . 0 0 "[ . 1 . 2]" 1
1378 1 76 ASP H 1 77 ALA H 4.800 . 4.800 4.565 4.424 4.615 . 0 0 "[ . 1 . 2]" 1
1379 1 76 ASP H 1 79 ALA MB 5.300 . 6.300 3.550 2.997 4.479 . 0 0 "[ . 1 . 2]" 1
1380 1 76 ASP HA 1 77 ALA H 3.000 . 3.000 2.254 2.121 2.617 . 0 0 "[ . 1 . 2]" 1
1381 1 76 ASP HA 1 77 ALA MB 4.100 . 5.100 4.010 3.906 4.164 . 0 0 "[ . 1 . 2]" 1
1382 1 76 ASP QB 1 77 ALA H 3.600 . 4.600 3.398 2.710 3.694 . 0 0 "[ . 1 . 2]" 1
1383 1 76 ASP QB 1 77 ALA MB 5.500 . 6.500 4.660 4.077 4.901 . 0 0 "[ . 1 . 2]" 1
1384 1 76 ASP QB 1 78 ASP H 3.200 . 4.200 3.396 2.138 3.930 . 0 0 "[ . 1 . 2]" 1
1385 1 76 ASP QB 1 78 ASP QB 4.200 . 5.200 3.779 2.258 4.324 . 0 0 "[ . 1 . 2]" 1
1386 1 76 ASP QB 1 79 ALA H 4.100 . 5.100 3.311 2.429 4.026 . 0 0 "[ . 1 . 2]" 1
1387 1 76 ASP QB 1 79 ALA MB 4.400 . 5.400 3.134 2.045 4.396 . 0 0 "[ . 1 . 2]" 1
1388 1 77 ALA H 1 77 ALA MB 2.900 . 3.900 2.227 2.183 2.259 . 0 0 "[ . 1 . 2]" 1
1389 1 77 ALA H 1 78 ASP H 3.800 . 3.800 2.702 2.347 2.871 . 0 0 "[ . 1 . 2]" 1
1390 1 77 ALA H 1 79 ALA H 5.400 . 5.400 4.248 3.822 4.470 . 0 0 "[ . 1 . 2]" 1
1391 1 77 ALA MB 1 78 ASP H 3.700 . 4.700 2.747 2.375 3.100 . 0 0 "[ . 1 . 2]" 1
1392 1 77 ALA MB 1 78 ASP QB 5.300 . 6.300 4.047 3.741 4.332 . 0 0 "[ . 1 . 2]" 1
1393 1 78 ASP H 1 78 ASP HB2 3.600 . 3.600 2.708 2.316 3.650 0.050 13 0 "[ . 1 . 2]" 1
1394 1 78 ASP H 1 78 ASP QB 3.200 . 4.200 2.317 2.196 2.519 . 0 0 "[ . 1 . 2]" 1
1395 1 78 ASP H 1 78 ASP HB3 3.600 . 3.600 2.755 2.292 3.613 0.013 7 0 "[ . 1 . 2]" 1
1396 1 78 ASP H 1 79 ALA H 3.700 . 3.700 2.596 2.229 2.968 . 0 0 "[ . 1 . 2]" 1
1397 1 78 ASP H 1 80 ARG H 5.500 . 5.500 4.427 4.154 4.803 . 0 0 "[ . 1 . 2]" 1
1398 1 78 ASP H 1 80 ARG HD2 5.500 . 5.500 5.455 5.053 5.596 0.096 18 0 "[ . 1 . 2]" 1
1399 1 78 ASP H 1 80 ARG HD3 5.500 . 5.500 5.490 5.073 5.654 0.154 10 0 "[ . 1 . 2]" 1
1400 1 78 ASP HA 1 80 ARG H 4.700 . 4.700 3.713 3.528 3.947 . 0 0 "[ . 1 . 2]" 1
1401 1 78 ASP HA 1 81 ARG H 5.000 . 5.000 3.831 3.213 4.364 . 0 0 "[ . 1 . 2]" 1
1402 1 78 ASP QB 1 79 ALA H 4.000 . 5.000 3.098 2.632 3.707 . 0 0 "[ . 1 . 2]" 1
1403 1 78 ASP QB 1 79 ALA MB 5.300 . 6.300 4.302 3.766 4.912 . 0 0 "[ . 1 . 2]" 1
1404 1 78 ASP HB2 1 79 ALA H 4.600 . 4.600 3.929 3.180 4.303 . 0 0 "[ . 1 . 2]" 1
1405 1 78 ASP HB3 1 79 ALA H 4.600 . 4.600 3.367 2.681 4.208 . 0 0 "[ . 1 . 2]" 1
1406 1 79 ALA H 1 79 ALA MB 3.000 . 4.000 2.226 2.190 2.257 . 0 0 "[ . 1 . 2]" 1
1407 1 79 ALA H 1 80 ARG H 3.600 . 3.600 2.729 2.527 3.027 . 0 0 "[ . 1 . 2]" 1
1408 1 79 ALA HA 1 82 ALA H 5.100 . 5.100 3.550 3.082 4.175 . 0 0 "[ . 1 . 2]" 1
1409 1 79 ALA MB 1 80 ARG H 3.800 . 4.800 2.831 2.593 2.957 . 0 0 "[ . 1 . 2]" 1
1410 1 79 ALA MB 1 81 ARG H 5.000 . 6.000 4.416 4.303 4.559 . 0 0 "[ . 1 . 2]" 1
1411 1 80 ARG H 1 80 ARG HB2 3.700 . 3.700 3.412 2.533 3.694 . 0 0 "[ . 1 . 2]" 1
1412 1 80 ARG H 1 80 ARG QB 2.900 . 3.900 2.497 2.393 2.822 . 0 0 "[ . 1 . 2]" 1
1413 1 80 ARG H 1 80 ARG HB3 3.700 . 3.700 2.756 2.425 3.678 . 0 0 "[ . 1 . 2]" 1
1414 1 80 ARG H 1 80 ARG HD2 5.500 . 5.500 3.571 2.054 4.273 . 0 0 "[ . 1 . 2]" 1
1415 1 80 ARG H 1 80 ARG HD3 5.500 . 5.500 3.810 2.239 4.451 . 0 0 "[ . 1 . 2]" 1
1416 1 80 ARG H 1 80 ARG QG 3.200 . 4.200 2.395 1.917 3.638 . 0 0 "[ . 1 . 2]" 1
1417 1 80 ARG QB 1 80 ARG QD 2.800 . 3.800 2.296 2.194 2.847 . 0 0 "[ . 1 . 2]" 1
1418 1 80 ARG QG 1 81 ARG H 4.200 . 5.200 2.946 2.186 4.670 . 0 0 "[ . 1 . 2]" 1
1419 1 81 ARG H 1 81 ARG QB 3.600 . 4.600 2.348 2.099 2.747 . 0 0 "[ . 1 . 2]" 1
1420 1 81 ARG H 1 81 ARG QD 5.300 . 6.300 4.087 2.945 4.845 . 0 0 "[ . 1 . 2]" 1
1421 1 81 ARG H 1 82 ALA H 4.000 . 4.000 2.498 2.208 2.734 . 0 0 "[ . 1 . 2]" 1
1422 1 81 ARG H 1 82 ALA MB 5.300 . 6.300 4.169 3.801 4.404 . 0 0 "[ . 1 . 2]" 1
1423 1 81 ARG HA 1 82 ALA H 3.600 . 3.600 3.438 3.358 3.520 . 0 0 "[ . 1 . 2]" 1
1424 1 81 ARG HA 1 84 ALA H 4.600 . 4.600 3.607 2.840 4.606 0.006 9 0 "[ . 1 . 2]" 1
1425 1 81 ARG HA 1 84 ALA MB 3.700 . 4.700 3.100 1.903 4.731 0.031 13 0 "[ . 1 . 2]" 1
1426 1 82 ALA H 1 82 ALA MB 3.100 . 4.100 2.242 2.165 2.291 . 0 0 "[ . 1 . 2]" 1
1427 1 82 ALA H 1 83 VAL H 3.600 . 3.600 2.514 2.165 2.864 . 0 0 "[ . 1 . 2]" 1
1428 1 82 ALA H 1 83 VAL QG 4.600 . 5.600 3.828 3.273 4.242 . 0 0 "[ . 1 . 2]" 1
1429 1 82 ALA MB 1 83 VAL H 3.800 . 4.800 2.654 2.268 3.058 . 0 0 "[ . 1 . 2]" 1
1430 1 82 ALA MB 1 83 VAL HA 5.500 . 6.500 3.959 3.803 4.343 . 0 0 "[ . 1 . 2]" 1
1431 1 82 ALA MB 1 83 VAL HB 5.500 . 6.500 4.456 3.342 5.165 . 0 0 "[ . 1 . 2]" 1
1432 1 82 ALA MB 1 83 VAL QG 3.800 . 4.800 2.960 2.604 3.900 . 0 0 "[ . 1 . 2]" 1
1433 1 83 VAL H 1 83 VAL HB 3.800 . 3.800 2.857 2.513 3.752 . 0 0 "[ . 1 . 2]" 1
1434 1 83 VAL H 1 83 VAL MG1 3.900 . 4.900 3.258 2.069 3.859 . 0 0 "[ . 1 . 2]" 1
1435 1 83 VAL H 1 83 VAL QG 3.200 . 4.200 2.216 1.947 2.591 . 0 0 "[ . 1 . 2]" 1
1436 1 83 VAL H 1 83 VAL MG2 3.900 . 4.900 2.647 1.991 3.992 . 0 0 "[ . 1 . 2]" 1
1437 1 83 VAL H 1 84 ALA H 3.800 . 3.800 2.514 1.955 3.675 . 0 0 "[ . 1 . 2]" 1
1438 1 83 VAL HA 1 83 VAL MG1 3.400 . 4.400 2.606 2.321 3.255 . 0 0 "[ . 1 . 2]" 1
1439 1 83 VAL HA 1 83 VAL QG 2.900 . 3.900 2.223 2.147 2.389 . 0 0 "[ . 1 . 2]" 1
1440 1 83 VAL HA 1 83 VAL MG2 3.400 . 4.400 2.551 2.349 3.229 . 0 0 "[ . 1 . 2]" 1
1441 1 83 VAL HA 1 84 ALA H 3.600 . 3.600 3.189 2.113 3.573 . 0 0 "[ . 1 . 2]" 1
1442 1 83 VAL HA 1 84 ALA MB 5.500 . 6.500 4.576 3.855 5.005 . 0 0 "[ . 1 . 2]" 1
1443 1 83 VAL HB 1 84 ALA H 4.400 . 4.400 3.464 2.304 4.432 0.032 18 0 "[ . 1 . 2]" 1
1444 1 83 VAL QG 1 84 ALA H 4.100 . 5.100 3.213 2.479 3.640 . 0 0 "[ . 1 . 2]" 1
1445 1 83 VAL MG1 1 84 ALA H 4.800 . 5.800 3.697 2.520 4.305 . 0 0 "[ . 1 . 2]" 1
1446 1 83 VAL MG2 1 84 ALA H 4.800 . 5.800 3.733 2.502 4.295 . 0 0 "[ . 1 . 2]" 1
1447 1 84 ALA H 1 84 ALA MB 3.400 . 4.400 2.449 2.215 2.920 . 0 0 "[ . 1 . 2]" 1
1448 1 88 GLU H 1 88 GLU QB 3.700 . 4.700 2.789 2.301 3.457 . 0 0 "[ . 1 . 2]" 1
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