NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375987 |
1fa4   |
4738 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fa4
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 1311
_Distance_constraint_stats_list.Viol_count 2128
_Distance_constraint_stats_list.Viol_total 3973.972
_Distance_constraint_stats_list.Viol_max 0.473
_Distance_constraint_stats_list.Viol_rms 0.0327
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0934
_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 1 GLU 0.104 0.065 4 0 "[ . 1 . 2]"
1 2 THR 1.637 0.147 7 0 "[ . 1 . 2]"
1 3 TYR 1.205 0.167 5 0 "[ . 1 . 2]"
1 4 THR 2.839 0.310 10 0 "[ . 1 . 2]"
1 5 VAL 4.272 0.226 3 0 "[ . 1 . 2]"
1 6 LYS 0.072 0.051 19 0 "[ . 1 . 2]"
1 7 LEU 10.091 0.368 14 0 "[ . 1 . 2]"
1 8 GLY 0.153 0.103 2 0 "[ . 1 . 2]"
1 9 SER 0.232 0.071 16 0 "[ . 1 . 2]"
1 10 ASP 0.449 0.071 16 0 "[ . 1 . 2]"
1 11 LYS 0.058 0.058 6 0 "[ . 1 . 2]"
1 12 GLY 0.137 0.112 12 0 "[ . 1 . 2]"
1 13 LEU 2.505 0.192 11 0 "[ . 1 . 2]"
1 14 LEU 3.572 0.205 3 0 "[ . 1 . 2]"
1 15 VAL 0.404 0.133 18 0 "[ . 1 . 2]"
1 16 PHE 0.634 0.118 9 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PRO 1.811 0.196 17 0 "[ . 1 . 2]"
1 19 ALA 0.975 0.097 2 0 "[ . 1 . 2]"
1 20 LYS 0.931 0.177 11 0 "[ . 1 . 2]"
1 21 LEU 4.164 0.375 2 0 "[ . 1 . 2]"
1 22 THR 2.509 0.230 2 0 "[ . 1 . 2]"
1 23 ILE 26.492 0.375 2 0 "[ . 1 . 2]"
1 24 LYS 1.002 0.175 17 0 "[ . 1 . 2]"
1 25 PRO 3.147 0.303 11 0 "[ . 1 . 2]"
1 26 GLY 0.589 0.132 9 0 "[ . 1 . 2]"
1 27 ASP 1.715 0.167 19 0 "[ . 1 . 2]"
1 28 THR 5.127 0.167 19 0 "[ . 1 . 2]"
1 29 VAL 4.953 0.292 20 0 "[ . 1 . 2]"
1 30 GLU 2.852 0.125 16 0 "[ . 1 . 2]"
1 31 PHE 3.745 0.226 3 0 "[ . 1 . 2]"
1 32 LEU 13.778 0.324 20 0 "[ . 1 . 2]"
1 33 ASN 12.712 0.331 6 0 "[ . 1 . 2]"
1 34 ASN 2.760 0.194 18 0 "[ . 1 . 2]"
1 35 LYS 3.604 0.194 18 0 "[ . 1 . 2]"
1 36 VAL 3.026 0.205 3 0 "[ . 1 . 2]"
1 37 PRO 3.462 0.188 4 0 "[ . 1 . 2]"
1 38 PRO 3.023 0.167 4 0 "[ . 1 . 2]"
1 39 HIS 8.910 0.262 19 0 "[ . 1 . 2]"
1 40 ASN 0.041 0.041 19 0 "[ . 1 . 2]"
1 41 VAL 0.344 0.163 17 0 "[ . 1 . 2]"
1 42 VAL 2.720 0.210 7 0 "[ . 1 . 2]"
1 43 PHE 8.647 0.210 7 0 "[ . 1 . 2]"
1 44 ASP 0.039 0.018 12 0 "[ . 1 . 2]"
1 45 ALA 2.050 0.164 17 0 "[ . 1 . 2]"
1 46 ALA 0.638 0.181 6 0 "[ . 1 . 2]"
1 47 LEU 4.899 0.276 16 0 "[ . 1 . 2]"
1 48 ASN 3.385 0.183 14 0 "[ . 1 . 2]"
1 49 PRO 3.297 0.183 14 0 "[ . 1 . 2]"
1 50 ALA 1.496 0.144 11 0 "[ . 1 . 2]"
1 51 LYS 1.652 0.144 11 0 "[ . 1 . 2]"
1 52 SER 0.240 0.121 17 0 "[ . 1 . 2]"
1 53 ALA 0.091 0.025 1 0 "[ . 1 . 2]"
1 54 ASP 1.835 0.125 13 0 "[ . 1 . 2]"
1 55 LEU 1.656 0.256 20 0 "[ . 1 . 2]"
1 56 ALA 0.148 0.144 20 0 "[ . 1 . 2]"
1 57 LYS 0.249 0.139 15 0 "[ . 1 . 2]"
1 58 SER 0.355 0.114 18 0 "[ . 1 . 2]"
1 59 LEU 6.214 0.257 15 0 "[ . 1 . 2]"
1 60 SER 2.344 0.156 4 0 "[ . 1 . 2]"
1 61 HIS 0.475 0.226 13 0 "[ . 1 . 2]"
1 62 LYS 0.660 0.154 10 0 "[ . 1 . 2]"
1 63 GLN 0.668 0.154 10 0 "[ . 1 . 2]"
1 64 LEU 2.576 0.215 7 0 "[ . 1 . 2]"
1 65 LEU 2.340 0.262 19 0 "[ . 1 . 2]"
1 66 MET 0.678 0.144 11 0 "[ . 1 . 2]"
1 67 SER 4.372 0.261 9 0 "[ . 1 . 2]"
1 68 PRO 3.731 0.181 10 0 "[ . 1 . 2]"
1 69 GLY 3.127 0.331 6 0 "[ . 1 . 2]"
1 70 GLN 0.932 0.261 9 0 "[ . 1 . 2]"
1 71 SER 4.700 0.261 2 0 "[ . 1 . 2]"
1 72 THR 2.344 0.226 13 0 "[ . 1 . 2]"
1 73 SER 0.962 0.121 1 0 "[ . 1 . 2]"
1 74 THR 1.310 0.135 11 0 "[ . 1 . 2]"
1 75 THR 2.517 0.178 10 0 "[ . 1 . 2]"
1 76 PHE 5.035 0.192 15 0 "[ . 1 . 2]"
1 77 PRO 4.242 0.257 15 0 "[ . 1 . 2]"
1 78 ALA 0.225 0.108 12 0 "[ . 1 . 2]"
1 79 ASP 0.147 0.029 3 0 "[ . 1 . 2]"
1 80 ALA 3.973 0.381 3 0 "[ . 1 . 2]"
1 81 PRO 2.872 0.182 11 0 "[ . 1 . 2]"
1 82 ALA 0.425 0.180 4 0 "[ . 1 . 2]"
1 83 GLY 0.895 0.180 4 0 "[ . 1 . 2]"
1 84 GLU 0.612 0.171 11 0 "[ . 1 . 2]"
1 85 TYR 1.875 0.256 20 0 "[ . 1 . 2]"
1 86 THR 4.250 0.250 1 0 "[ . 1 . 2]"
1 87 PHE 4.564 0.142 18 0 "[ . 1 . 2]"
1 88 TYR 5.381 0.194 10 0 "[ . 1 . 2]"
1 89 CYS 2.260 0.169 12 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 PRO 0.793 0.039 11 0 "[ . 1 . 2]"
1 92 HIS 3.705 0.216 5 0 "[ . 1 . 2]"
1 93 ARG 0.146 0.093 7 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 1.836 0.298 16 0 "[ . 1 . 2]"
1 96 GLY 1.449 0.298 16 0 "[ . 1 . 2]"
1 97 MET 0.122 0.027 15 0 "[ . 1 . 2]"
1 98 VAL 1.979 0.245 12 0 "[ . 1 . 2]"
1 99 GLY 3.175 0.137 9 0 "[ . 1 . 2]"
1 100 LYS 2.257 0.178 5 0 "[ . 1 . 2]"
1 101 ILE 19.662 0.473 13 0 "[ . 1 . 2]"
1 102 THR 3.780 0.230 2 0 "[ . 1 . 2]"
1 103 VAL 12.115 0.381 3 0 "[ . 1 . 2]"
1 104 ALA 0.797 0.190 18 0 "[ . 1 . 2]"
1 105 GLY 0.794 0.190 18 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 1 GLU HA 1 1 GLU QB 0.000 . 5.000 2.402 2.183 2.541 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU HA 1 1 GLU QG 0.000 . 4.160 2.441 1.935 3.324 0.065 4 0 "[ . 1 . 2]" 1
3 1 1 GLU HA 1 2 THR H 0.000 . 2.850 2.494 2.194 2.846 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLU QB 1 3 TYR QE 0.000 . 8.000 3.803 2.102 6.351 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLU QG 1 2 THR H 0.000 . 6.000 3.450 1.979 4.537 0.021 18 0 "[ . 1 . 2]" 1
6 1 1 GLU QG 1 3 TYR QE 0.000 . 8.000 4.284 2.707 5.737 . 0 0 "[ . 1 . 2]" 1
7 1 2 THR H 1 2 THR HB 0.000 . 3.560 3.029 2.587 3.512 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR H 1 2 THR HG1 0.000 . 6.000 2.825 1.991 3.473 0.009 6 0 "[ . 1 . 2]" 1
9 1 2 THR H 1 3 TYR H 0.000 . 5.000 4.367 4.108 4.575 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR H 1 3 TYR QD 0.000 . 7.000 4.880 4.009 5.800 . 0 0 "[ . 1 . 2]" 1
11 1 2 THR HA 1 2 THR HG1 0.000 . 5.600 2.141 1.954 2.696 0.046 16 0 "[ . 1 . 2]" 1
12 1 2 THR HA 1 3 TYR H 0.000 . 2.850 2.243 2.180 2.471 . 0 0 "[ . 1 . 2]" 1
13 1 2 THR HA 1 3 TYR QD 0.000 . 7.000 3.493 2.772 4.881 . 0 0 "[ . 1 . 2]" 1
14 1 2 THR HA 1 3 TYR QE 0.000 . 7.000 4.768 3.964 5.957 . 0 0 "[ . 1 . 2]" 1
15 1 2 THR HA 1 28 THR H 0.000 . 5.001 3.528 2.799 4.078 . 0 0 "[ . 1 . 2]" 1
16 1 2 THR HA 1 28 THR HB 0.000 . 3.560 3.346 2.851 3.591 0.031 20 0 "[ . 1 . 2]" 1
17 1 2 THR HA 1 28 THR HG1 0.000 . 6.500 4.165 3.357 4.614 . 0 0 "[ . 1 . 2]" 1
18 1 2 THR HB 1 2 THR HG1 0.000 . 3.560 1.977 1.872 2.086 0.128 17 0 "[ . 1 . 2]" 1
19 1 2 THR HB 1 3 TYR H 0.000 . 5.000 3.839 3.054 4.345 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR HG1 1 3 TYR H 0.000 . 6.500 2.697 2.027 3.487 . 0 0 "[ . 1 . 2]" 1
21 1 2 THR HG1 1 28 THR HA 0.000 . 6.500 4.576 4.146 5.067 . 0 0 "[ . 1 . 2]" 1
22 1 2 THR HG1 1 28 THR HB 0.000 . 6.500 2.402 1.853 3.242 0.147 7 0 "[ . 1 . 2]" 1
23 1 2 THR HG1 1 29 VAL HA 0.000 . 6.500 3.785 2.172 4.650 . 0 0 "[ . 1 . 2]" 1
24 1 3 TYR H 1 3 TYR HB2 0.000 . 3.100 2.495 2.245 2.873 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR H 1 3 TYR HB3 0.000 . 4.000 3.686 3.550 3.894 . 0 0 "[ . 1 . 2]" 1
26 1 3 TYR H 1 3 TYR QD 0.000 . 5.560 2.501 1.882 3.295 0.118 20 0 "[ . 1 . 2]" 1
27 1 3 TYR H 1 28 THR HB 0.000 . 5.000 4.312 3.749 5.026 0.026 15 0 "[ . 1 . 2]" 1
28 1 3 TYR H 1 29 VAL HA 0.000 . 5.000 2.983 2.325 3.820 . 0 0 "[ . 1 . 2]" 1
29 1 3 TYR H 1 29 VAL MG2 0.000 . 6.500 4.127 3.217 4.593 . 0 0 "[ . 1 . 2]" 1
30 1 3 TYR H 1 30 GLU H 0.000 . 5.000 3.937 2.526 4.660 . 0 0 "[ . 1 . 2]" 1
31 1 3 TYR HA 1 3 TYR HB3 0.000 . 3.100 2.515 2.383 2.641 . 0 0 "[ . 1 . 2]" 1
32 1 3 TYR HA 1 3 TYR QD 0.000 . 4.560 2.866 1.966 3.160 0.034 10 0 "[ . 1 . 2]" 1
33 1 3 TYR HA 1 3 TYR QE 0.000 . 5.600 4.544 4.187 4.785 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR HA 1 4 THR H 0.000 . 2.850 2.353 2.187 2.560 . 0 0 "[ . 1 . 2]" 1
35 1 3 TYR HA 1 21 LEU QD 0.000 . 7.900 3.942 3.565 4.191 . 0 0 "[ . 1 . 2]" 1
36 1 3 TYR HB2 1 3 TYR QD 0.000 . 3.560 2.461 2.306 2.619 . 0 0 "[ . 1 . 2]" 1
37 1 3 TYR HB2 1 4 THR H 0.000 . 5.000 3.953 3.223 4.562 . 0 0 "[ . 1 . 2]" 1
38 1 3 TYR HB2 1 21 LEU MD1 0.000 . 6.500 3.958 3.017 5.002 . 0 0 "[ . 1 . 2]" 1
39 1 3 TYR HB2 1 21 LEU MD2 0.000 . 6.500 3.150 1.897 5.326 0.103 12 0 "[ . 1 . 2]" 1
40 1 3 TYR HB2 1 29 VAL MG1 0.000 . 6.500 2.502 1.871 3.220 0.129 5 0 "[ . 1 . 2]" 1
41 1 3 TYR HB2 1 29 VAL MG2 0.000 . 6.500 3.235 2.398 3.776 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR HB3 1 3 TYR QD 0.000 . 3.560 2.413 2.304 2.727 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR HB3 1 4 THR H 0.000 . 5.000 2.963 2.280 4.018 . 0 0 "[ . 1 . 2]" 1
44 1 3 TYR HB3 1 21 LEU MD1 0.000 . 6.500 2.967 1.940 4.537 0.060 13 0 "[ . 1 . 2]" 1
45 1 3 TYR HB3 1 21 LEU MD2 0.000 . 6.500 2.500 1.859 4.310 0.141 17 0 "[ . 1 . 2]" 1
46 1 3 TYR HB3 1 23 ILE MG 0.000 . 6.500 3.753 2.910 4.529 . 0 0 "[ . 1 . 2]" 1
47 1 3 TYR HB3 1 29 VAL MG2 0.000 . 6.500 4.453 3.831 5.180 . 0 0 "[ . 1 . 2]" 1
48 1 3 TYR QD 1 21 LEU MD1 0.000 . 8.500 3.459 2.048 5.015 . 0 0 "[ . 1 . 2]" 1
49 1 3 TYR QD 1 21 LEU MD2 0.000 . 8.500 2.873 1.890 4.953 0.110 11 0 "[ . 1 . 2]" 1
50 1 3 TYR QD 1 23 ILE MD 0.000 . 8.500 5.244 4.313 6.079 . 0 0 "[ . 1 . 2]" 1
51 1 3 TYR QD 1 23 ILE MG 0.000 . 8.500 2.675 1.833 3.644 0.167 5 0 "[ . 1 . 2]" 1
52 1 3 TYR QD 1 27 ASP HB3 0.000 . 7.000 3.490 2.556 4.598 . 0 0 "[ . 1 . 2]" 1
53 1 3 TYR QD 1 29 VAL MG2 0.000 . 8.500 3.668 2.500 4.689 . 0 0 "[ . 1 . 2]" 1
54 1 3 TYR QE 1 21 LEU MD1 0.000 . 8.500 4.940 3.374 6.437 . 0 0 "[ . 1 . 2]" 1
55 1 3 TYR QE 1 21 LEU MD2 0.000 . 8.500 4.040 2.528 5.887 . 0 0 "[ . 1 . 2]" 1
56 1 3 TYR QE 1 23 ILE HA 0.000 . 7.000 3.396 2.290 4.809 . 0 0 "[ . 1 . 2]" 1
57 1 3 TYR QE 1 23 ILE MG 0.000 . 8.500 3.279 2.411 4.397 . 0 0 "[ . 1 . 2]" 1
58 1 3 TYR QE 1 24 LYS H 0.000 . 7.000 3.964 2.564 5.283 . 0 0 "[ . 1 . 2]" 1
59 1 3 TYR QE 1 27 ASP HB2 0.000 . 7.000 4.391 2.670 5.575 . 0 0 "[ . 1 . 2]" 1
60 1 3 TYR QE 1 27 ASP HB3 0.000 . 7.000 3.665 2.006 5.098 . 0 0 "[ . 1 . 2]" 1
61 1 4 THR H 1 4 THR HB 0.000 . 3.560 3.051 2.374 3.558 . 0 0 "[ . 1 . 2]" 1
62 1 4 THR H 1 4 THR HG1 0.000 . 6.000 2.892 1.915 3.700 0.085 5 0 "[ . 1 . 2]" 1
63 1 4 THR HA 1 4 THR HG1 0.000 . 4.160 2.306 1.958 2.986 0.042 18 0 "[ . 1 . 2]" 1
64 1 4 THR HA 1 5 VAL H 0.000 . 2.850 2.227 2.187 2.370 . 0 0 "[ . 1 . 2]" 1
65 1 4 THR HA 1 5 VAL MG1 0.000 . 6.500 4.373 3.668 5.424 . 0 0 "[ . 1 . 2]" 1
66 1 4 THR HA 1 5 VAL MG2 0.000 . 6.500 3.535 3.119 4.120 . 0 0 "[ . 1 . 2]" 1
67 1 4 THR HA 1 29 VAL MG1 0.000 . 6.500 3.667 2.976 4.628 . 0 0 "[ . 1 . 2]" 1
68 1 4 THR HA 1 30 GLU H 0.000 . 3.560 2.605 1.984 3.392 0.016 4 0 "[ . 1 . 2]" 1
69 1 4 THR HA 1 30 GLU QB 0.000 . 6.000 2.576 2.036 3.600 . 0 0 "[ . 1 . 2]" 1
70 1 4 THR HB 1 4 THR HG1 0.000 . 3.560 1.946 1.872 2.078 0.128 11 0 "[ . 1 . 2]" 1
71 1 4 THR HB 1 5 VAL H 0.000 . 5.000 4.180 3.793 4.537 . 0 0 "[ . 1 . 2]" 1
72 1 4 THR HG1 1 5 VAL H 0.000 . 6.000 3.037 1.997 3.615 0.003 10 0 "[ . 1 . 2]" 1
73 1 4 THR HG1 1 32 LEU QB 0.000 . 7.500 4.377 3.815 4.969 . 0 0 "[ . 1 . 2]" 1
74 1 4 THR HG1 1 32 LEU QD 0.000 . 8.900 2.128 1.690 2.699 0.310 10 0 "[ . 1 . 2]" 1
75 1 5 VAL H 1 5 VAL HB 0.000 . 3.560 3.448 2.892 3.677 0.117 3 0 "[ . 1 . 2]" 1
76 1 5 VAL H 1 5 VAL MG1 0.000 . 5.060 3.013 2.179 3.947 . 0 0 "[ . 1 . 2]" 1
77 1 5 VAL H 1 5 VAL MG2 0.000 . 6.500 1.976 1.802 2.594 0.198 6 0 "[ . 1 . 2]" 1
78 1 5 VAL H 1 29 VAL MG1 0.000 . 6.500 3.581 3.003 4.156 . 0 0 "[ . 1 . 2]" 1
79 1 5 VAL H 1 30 GLU H 0.000 . 5.000 3.853 3.103 4.755 . 0 0 "[ . 1 . 2]" 1
80 1 5 VAL H 1 30 GLU QB 0.000 . 6.000 3.968 3.406 4.954 . 0 0 "[ . 1 . 2]" 1
81 1 5 VAL H 1 31 PHE HA 0.000 . 5.000 3.125 2.734 3.726 . 0 0 "[ . 1 . 2]" 1
82 1 5 VAL H 1 31 PHE QD 0.000 . 7.000 3.944 3.195 4.650 . 0 0 "[ . 1 . 2]" 1
83 1 5 VAL H 1 32 LEU H 0.000 . 5.000 4.659 4.032 5.003 0.003 14 0 "[ . 1 . 2]" 1
84 1 5 VAL HA 1 5 VAL MG1 0.000 . 4.050 2.201 1.975 2.445 0.025 17 0 "[ . 1 . 2]" 1
85 1 5 VAL HA 1 5 VAL MG2 0.000 . 4.050 3.031 2.510 3.193 . 0 0 "[ . 1 . 2]" 1
86 1 5 VAL HA 1 6 LYS H 0.000 . 2.850 2.390 2.194 2.901 0.051 19 0 "[ . 1 . 2]" 1
87 1 5 VAL HA 1 18 PRO QD 0.000 . 6.000 3.383 2.139 4.197 . 0 0 "[ . 1 . 2]" 1
88 1 5 VAL HB 1 5 VAL MG1 0.000 . 3.350 2.127 2.107 2.148 . 0 0 "[ . 1 . 2]" 1
89 1 5 VAL HB 1 5 VAL MG2 0.000 . 3.350 2.135 2.114 2.152 . 0 0 "[ . 1 . 2]" 1
90 1 5 VAL HB 1 6 LYS H 0.000 . 5.000 3.776 2.147 4.528 . 0 0 "[ . 1 . 2]" 1
91 1 5 VAL HB 1 29 VAL MG1 0.000 . 6.500 4.911 4.186 5.436 . 0 0 "[ . 1 . 2]" 1
92 1 5 VAL HB 1 31 PHE QD 0.000 . 7.000 4.271 2.773 4.924 . 0 0 "[ . 1 . 2]" 1
93 1 5 VAL MG1 1 6 LYS H 0.000 . 6.500 3.796 1.979 4.352 0.021 19 0 "[ . 1 . 2]" 1
94 1 5 VAL MG1 1 18 PRO QD 0.000 . 5.350 2.456 1.804 3.141 0.196 17 0 "[ . 1 . 2]" 1
95 1 5 VAL MG1 1 29 VAL MG1 0.000 . 8.000 3.344 1.852 4.759 0.148 8 0 "[ . 1 . 2]" 1
96 1 5 VAL MG1 1 31 PHE HA 0.000 . 6.500 4.844 4.288 5.433 . 0 0 "[ . 1 . 2]" 1
97 1 5 VAL MG1 1 31 PHE QD 0.000 . 8.500 3.921 2.793 4.764 . 0 0 "[ . 1 . 2]" 1
98 1 5 VAL MG1 1 87 PHE QE 0.000 . 8.500 4.172 3.672 4.828 . 0 0 "[ . 1 . 2]" 1
99 1 5 VAL MG1 1 87 PHE HZ 0.000 . 6.500 4.320 3.572 5.123 . 0 0 "[ . 1 . 2]" 1
100 1 5 VAL MG2 1 6 LYS H 0.000 . 6.500 4.060 3.123 4.423 . 0 0 "[ . 1 . 2]" 1
101 1 5 VAL MG2 1 7 LEU QD 0.000 . 9.400 3.423 2.557 4.959 . 0 0 "[ . 1 . 2]" 1
102 1 5 VAL MG2 1 16 PHE HA 0.000 . 6.500 4.541 3.994 5.401 . 0 0 "[ . 1 . 2]" 1
103 1 5 VAL MG2 1 16 PHE HB2 0.000 . 6.500 5.225 4.941 5.336 . 0 0 "[ . 1 . 2]" 1
104 1 5 VAL MG2 1 16 PHE HB3 0.000 . 6.500 3.981 3.768 4.257 . 0 0 "[ . 1 . 2]" 1
105 1 5 VAL MG2 1 17 GLU H 0.000 . 5.060 4.146 3.955 4.266 . 0 0 "[ . 1 . 2]" 1
106 1 5 VAL MG2 1 18 PRO QD 0.000 . 7.500 4.395 3.273 5.214 . 0 0 "[ . 1 . 2]" 1
107 1 5 VAL MG2 1 29 VAL MG1 0.000 . 8.000 2.705 2.145 3.412 . 0 0 "[ . 1 . 2]" 1
108 1 5 VAL MG2 1 31 PHE HA 0.000 . 6.500 2.619 1.932 4.200 0.068 11 0 "[ . 1 . 2]" 1
109 1 5 VAL MG2 1 31 PHE QD 0.000 . 6.350 2.143 1.774 2.783 0.226 3 0 "[ . 1 . 2]" 1
110 1 5 VAL MG2 1 31 PHE HZ 0.000 . 6.500 5.296 5.005 5.484 . 0 0 "[ . 1 . 2]" 1
111 1 5 VAL MG2 1 87 PHE QE 0.000 . 8.500 3.826 2.805 4.510 . 0 0 "[ . 1 . 2]" 1
112 1 5 VAL MG2 1 87 PHE HZ 0.000 . 6.500 4.408 3.774 5.073 . 0 0 "[ . 1 . 2]" 1
113 1 6 LYS H 1 6 LYS QB 0.000 . 3.450 2.421 2.076 2.962 . 0 0 "[ . 1 . 2]" 1
114 1 6 LYS H 1 7 LEU H 0.000 . 5.000 4.238 3.586 4.693 . 0 0 "[ . 1 . 2]" 1
115 1 6 LYS H 1 18 PRO QD 0.000 . 6.000 4.848 3.610 5.357 . 0 0 "[ . 1 . 2]" 1
116 1 6 LYS HA 1 6 LYS QB 0.000 . 5.000 2.401 2.200 2.547 . 0 0 "[ . 1 . 2]" 1
117 1 6 LYS HA 1 7 LEU H 0.000 . 2.850 2.270 2.201 2.414 . 0 0 "[ . 1 . 2]" 1
118 1 6 LYS HA 1 32 LEU H 0.000 . 5.000 3.276 2.201 4.707 . 0 0 "[ . 1 . 2]" 1
119 1 6 LYS QB 1 7 LEU H 0.000 . 6.000 3.685 3.005 4.055 . 0 0 "[ . 1 . 2]" 1
120 1 7 LEU H 1 7 LEU HB2 0.000 . 3.400 3.540 3.484 3.571 0.171 11 0 "[ . 1 . 2]" 1
121 1 7 LEU H 1 7 LEU HB3 0.000 . 4.000 3.077 2.646 3.501 . 0 0 "[ . 1 . 2]" 1
122 1 7 LEU H 1 7 LEU QD 0.000 . 7.810 1.948 1.632 2.458 0.368 14 0 "[ . 1 . 2]" 1
123 1 7 LEU H 1 7 LEU HG 0.000 . 3.560 1.961 1.807 3.520 0.193 4 0 "[ . 1 . 2]" 1
124 1 7 LEU H 1 32 LEU H 0.000 . 5.000 3.778 3.139 4.426 . 0 0 "[ . 1 . 2]" 1
125 1 7 LEU H 1 32 LEU QB 0.000 . 6.000 5.001 4.310 5.424 . 0 0 "[ . 1 . 2]" 1
126 1 7 LEU H 1 33 ASN HA 0.000 . 5.000 4.471 3.622 5.014 0.014 1 0 "[ . 1 . 2]" 1
127 1 7 LEU HA 1 7 LEU QD 0.000 . 7.200 3.206 2.745 3.412 . 0 0 "[ . 1 . 2]" 1
128 1 7 LEU HA 1 8 GLY H 0.000 . 2.850 2.464 2.229 2.755 . 0 0 "[ . 1 . 2]" 1
129 1 7 LEU HB2 1 7 LEU QD 0.000 . 6.260 2.074 1.875 2.348 0.125 15 0 "[ . 1 . 2]" 1
130 1 7 LEU HB2 1 34 ASN H 0.000 . 5.000 4.968 4.720 5.031 0.031 17 0 "[ . 1 . 2]" 1
131 1 7 LEU QD 1 16 PHE QE 0.000 . 9.900 2.844 1.886 3.407 0.114 15 0 "[ . 1 . 2]" 1
132 1 7 LEU QD 1 31 PHE HA 0.000 . 7.900 3.289 2.390 4.519 . 0 0 "[ . 1 . 2]" 1
133 1 7 LEU QD 1 31 PHE QB 0.000 . 8.900 2.691 2.243 3.350 . 0 0 "[ . 1 . 2]" 1
134 1 7 LEU QD 1 32 LEU H 0.000 . 7.900 2.733 1.849 3.620 0.151 1 0 "[ . 1 . 2]" 1
135 1 7 LEU QD 1 33 ASN H 0.000 . 7.900 3.894 3.501 4.325 . 0 0 "[ . 1 . 2]" 1
136 1 7 LEU QD 1 33 ASN HA 0.000 . 7.900 2.019 1.745 2.917 0.255 16 0 "[ . 1 . 2]" 1
137 1 7 LEU QD 1 39 HIS HB2 0.000 . 7.900 3.059 2.052 3.987 . 0 0 "[ . 1 . 2]" 1
138 1 7 LEU QD 1 39 HIS HB3 0.000 . 7.900 2.797 1.917 3.908 0.083 19 0 "[ . 1 . 2]" 1
139 1 7 LEU QD 1 39 HIS HD2 0.000 . 7.900 3.519 2.820 4.299 . 0 0 "[ . 1 . 2]" 1
140 1 7 LEU QD 1 39 HIS HE2 0.000 . 7.900 3.715 3.140 4.352 . 0 0 "[ . 1 . 2]" 1
141 1 7 LEU QD 1 40 ASN H 0.000 . 7.900 5.007 4.158 5.826 . 0 0 "[ . 1 . 2]" 1
142 1 7 LEU QD 1 41 VAL MG1 0.000 . 9.400 4.719 3.735 5.476 . 0 0 "[ . 1 . 2]" 1
143 1 7 LEU QD 1 41 VAL MG2 0.000 . 7.960 3.155 2.203 3.771 . 0 0 "[ . 1 . 2]" 1
144 1 7 LEU QD 1 65 LEU MD2 0.000 . 9.400 3.958 2.232 5.550 . 0 0 "[ . 1 . 2]" 1
145 1 7 LEU QD 1 92 HIS HE1 0.000 . 7.900 4.780 3.893 5.532 . 0 0 "[ . 1 . 2]" 1
146 1 7 LEU HG 1 16 PHE QE 0.000 . 7.000 5.308 3.311 6.245 . 0 0 "[ . 1 . 2]" 1
147 1 7 LEU HG 1 34 ASN H 0.000 . 5.000 4.046 3.290 5.040 0.040 16 0 "[ . 1 . 2]" 1
148 1 8 GLY H 1 8 GLY QA 0.000 . 2.850 2.327 2.238 2.526 . 0 0 "[ . 1 . 2]" 1
149 1 8 GLY H 1 9 SER H 0.000 . 5.000 3.233 2.506 4.132 . 0 0 "[ . 1 . 2]" 1
150 1 8 GLY H 1 16 PHE HA 0.000 . 5.000 4.208 3.448 5.014 0.014 10 0 "[ . 1 . 2]" 1
151 1 8 GLY H 1 97 MET ME 0.000 . 6.000 3.240 2.177 4.795 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLY QA 1 9 SER H 0.000 . 4.560 2.309 2.160 2.487 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLY QA 1 15 VAL H 0.000 . 6.000 2.795 1.897 3.646 0.103 2 0 "[ . 1 . 2]" 1
154 1 8 GLY QA 1 35 LYS H 0.000 . 6.000 3.628 2.214 4.187 . 0 0 "[ . 1 . 2]" 1
155 1 8 GLY QA 1 39 HIS HE2 0.000 . 6.000 5.155 4.673 5.399 . 0 0 "[ . 1 . 2]" 1
156 1 9 SER H 1 9 SER HB2 0.000 . 4.000 3.590 3.507 3.625 . 0 0 "[ . 1 . 2]" 1
157 1 9 SER H 1 9 SER HB3 0.000 . 3.400 2.755 2.452 3.216 . 0 0 "[ . 1 . 2]" 1
158 1 9 SER H 1 13 LEU H 0.000 . 5.000 4.378 3.453 4.980 . 0 0 "[ . 1 . 2]" 1
159 1 9 SER H 1 15 VAL H 0.000 . 5.000 2.962 2.043 3.864 . 0 0 "[ . 1 . 2]" 1
160 1 9 SER H 1 15 VAL MG2 0.000 . 6.500 2.961 2.458 3.643 . 0 0 "[ . 1 . 2]" 1
161 1 9 SER HA 1 9 SER HB2 0.000 . 3.100 2.568 2.439 2.675 . 0 0 "[ . 1 . 2]" 1
162 1 9 SER HA 1 9 SER HB3 0.000 . 3.100 2.387 2.306 2.499 . 0 0 "[ . 1 . 2]" 1
163 1 9 SER HA 1 10 ASP H 0.000 . 3.560 3.404 2.318 3.584 0.024 10 0 "[ . 1 . 2]" 1
164 1 9 SER HB2 1 10 ASP H 0.000 . 3.560 2.848 2.071 3.631 0.071 16 0 "[ . 1 . 2]" 1
165 1 9 SER HB2 1 15 VAL MG2 0.000 . 6.500 4.316 3.508 5.312 . 0 0 "[ . 1 . 2]" 1
166 1 9 SER HB3 1 10 ASP H 0.000 . 5.000 3.655 3.344 4.281 . 0 0 "[ . 1 . 2]" 1
167 1 9 SER HB3 1 15 VAL MG2 0.000 . 6.500 3.036 2.188 4.232 . 0 0 "[ . 1 . 2]" 1
168 1 10 ASP H 1 10 ASP QB 0.000 . 4.160 3.050 2.250 3.505 . 0 0 "[ . 1 . 2]" 1
169 1 10 ASP H 1 15 VAL MG2 0.000 . 6.500 5.195 4.800 5.405 . 0 0 "[ . 1 . 2]" 1
170 1 10 ASP H 1 34 ASN HD21 0.000 . 5.000 4.291 3.029 4.997 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASP H 1 34 ASN HD22 0.000 . 5.000 4.254 3.259 5.018 0.018 20 0 "[ . 1 . 2]" 1
172 1 10 ASP HA 1 10 ASP QB 0.000 . 3.560 2.372 2.171 2.524 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASP HA 1 12 GLY H 0.000 . 5.000 4.193 3.423 4.999 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASP HA 1 34 ASN HD21 0.000 . 3.560 3.491 3.141 3.589 0.029 19 0 "[ . 1 . 2]" 1
175 1 10 ASP HA 1 34 ASN HD22 0.000 . 5.000 2.679 1.954 3.246 0.046 8 0 "[ . 1 . 2]" 1
176 1 11 LYS HA 1 11 LYS QB 0.000 . 2.850 2.467 2.201 2.542 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS HA 1 11 LYS QD 0.000 . 6.000 3.602 1.942 4.286 0.058 6 0 "[ . 1 . 2]" 1
178 1 11 LYS HA 1 11 LYS QE 0.000 . 6.000 4.287 3.473 5.071 . 0 0 "[ . 1 . 2]" 1
179 1 11 LYS HA 1 12 GLY H 0.000 . 5.000 3.133 2.659 3.564 . 0 0 "[ . 1 . 2]" 1
180 1 12 GLY H 1 12 GLY QA 0.000 . 2.850 2.420 2.258 2.534 . 0 0 "[ . 1 . 2]" 1
181 1 12 GLY H 1 13 LEU H 0.000 . 3.560 2.835 1.888 3.585 0.112 12 0 "[ . 1 . 2]" 1
182 1 12 GLY QA 1 13 LEU H 0.000 . 6.000 2.480 2.153 2.944 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU H 1 13 LEU QB 0.000 . 3.450 2.652 2.159 3.137 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU H 1 13 LEU QD 0.000 . 7.810 3.277 2.014 4.059 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU H 1 14 LEU H 0.000 . 5.000 4.305 3.085 4.598 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU HA 1 13 LEU QB 0.000 . 5.000 2.452 2.195 2.547 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU HA 1 14 LEU H 0.000 . 5.000 2.640 2.184 3.507 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU QB 1 15 VAL MG2 0.000 . 6.060 3.461 2.546 4.266 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU QD 1 13 LEU HG 0.000 . 5.500 1.897 1.882 1.916 0.118 6 0 "[ . 1 . 2]" 1
190 1 13 LEU QD 1 14 LEU H 0.000 . 7.900 2.886 1.808 4.159 0.192 11 0 "[ . 1 . 2]" 1
191 1 14 LEU H 1 14 LEU HB2 0.000 . 3.100 2.556 2.360 2.824 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU H 1 14 LEU HB3 0.000 . 4.000 3.717 3.624 3.864 . 0 0 "[ . 1 . 2]" 1
193 1 14 LEU H 1 14 LEU MD1 0.000 . 6.500 3.651 2.483 4.063 . 0 0 "[ . 1 . 2]" 1
194 1 14 LEU H 1 14 LEU HG 0.000 . 2.850 2.702 2.015 2.897 0.047 18 0 "[ . 1 . 2]" 1
195 1 14 LEU H 1 15 VAL MG2 0.000 . 6.500 4.322 3.539 4.842 . 0 0 "[ . 1 . 2]" 1
196 1 14 LEU HA 1 14 LEU HB3 0.000 . 3.100 2.479 2.334 2.566 . 0 0 "[ . 1 . 2]" 1
197 1 14 LEU HA 1 14 LEU MD2 0.000 . 6.000 2.163 1.855 3.128 0.145 12 0 "[ . 1 . 2]" 1
198 1 14 LEU HA 1 15 VAL H 0.000 . 2.850 2.240 2.187 2.702 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU HA 1 39 HIS HE1 0.000 . 5.000 4.952 4.629 5.078 0.078 18 0 "[ . 1 . 2]" 1
200 1 14 LEU HB2 1 14 LEU MD1 0.000 . 4.060 2.210 1.967 2.601 0.033 4 0 "[ . 1 . 2]" 1
201 1 14 LEU HB2 1 14 LEU MD2 0.000 . 5.500 3.152 2.910 3.198 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU HB3 1 14 LEU MD1 0.000 . 3.350 2.482 2.039 2.922 . 0 0 "[ . 1 . 2]" 1
203 1 14 LEU HB3 1 14 LEU MD2 0.000 . 5.500 2.205 1.892 2.551 0.108 10 0 "[ . 1 . 2]" 1
204 1 14 LEU MD1 1 14 LEU HG 0.000 . 6.500 2.122 2.111 2.147 . 0 0 "[ . 1 . 2]" 1
205 1 14 LEU MD1 1 39 HIS HD2 0.000 . 6.500 5.105 3.875 5.325 . 0 0 "[ . 1 . 2]" 1
206 1 14 LEU MD1 1 92 HIS HD2 0.000 . 6.500 2.231 1.795 3.253 0.205 5 0 "[ . 1 . 2]" 1
207 1 14 LEU MD1 1 92 HIS HE1 0.000 . 6.500 4.044 2.892 4.567 . 0 0 "[ . 1 . 2]" 1
208 1 14 LEU MD2 1 14 LEU HG 0.000 . 5.060 2.130 2.112 2.152 . 0 0 "[ . 1 . 2]" 1
209 1 14 LEU MD2 1 36 VAL HB 0.000 . 6.500 2.348 1.795 4.374 0.205 3 0 "[ . 1 . 2]" 1
210 1 14 LEU MD2 1 39 HIS HE1 0.000 . 5.060 2.490 1.927 4.073 0.073 20 0 "[ . 1 . 2]" 1
211 1 14 LEU MD2 1 39 HIS HE2 0.000 . 6.500 2.883 1.906 4.083 0.094 20 0 "[ . 1 . 2]" 1
212 1 14 LEU MD2 1 92 HIS HD2 0.000 . 6.500 4.401 3.823 5.287 . 0 0 "[ . 1 . 2]" 1
213 1 14 LEU MD2 1 92 HIS HE1 0.000 . 6.500 5.156 4.626 5.450 . 0 0 "[ . 1 . 2]" 1
214 1 15 VAL H 1 15 VAL MG1 0.000 . 6.500 3.238 2.774 3.514 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL H 1 15 VAL MG2 0.000 . 5.060 2.127 1.867 2.336 0.133 18 0 "[ . 1 . 2]" 1
216 1 15 VAL HA 1 15 VAL MG1 0.000 . 6.100 2.221 2.052 2.426 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL HA 1 15 VAL MG2 0.000 . 6.100 3.172 3.143 3.194 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL HA 1 16 PHE H 0.000 . 2.850 2.311 2.200 2.456 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL HB 1 15 VAL MG1 0.000 . 4.060 2.131 2.108 2.152 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL HB 1 15 VAL MG2 0.000 . 4.060 2.136 2.111 2.153 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL MG2 1 17 GLU HB2 0.000 . 6.500 4.920 4.412 5.245 . 0 0 "[ . 1 . 2]" 1
222 1 16 PHE H 1 16 PHE HB2 0.000 . 3.100 2.289 2.191 2.447 . 0 0 "[ . 1 . 2]" 1
223 1 16 PHE H 1 16 PHE HB3 0.000 . 4.000 3.568 3.515 3.622 . 0 0 "[ . 1 . 2]" 1
224 1 16 PHE H 1 16 PHE QD 0.000 . 7.000 2.438 1.882 3.269 0.118 9 0 "[ . 1 . 2]" 1
225 1 16 PHE HA 1 16 PHE HB3 0.000 . 3.100 2.632 2.564 2.678 . 0 0 "[ . 1 . 2]" 1
226 1 16 PHE HA 1 16 PHE QD 0.000 . 6.000 2.759 2.195 3.047 . 0 0 "[ . 1 . 2]" 1
227 1 16 PHE HA 1 17 GLU H 0.000 . 2.850 2.340 2.223 2.586 . 0 0 "[ . 1 . 2]" 1
228 1 16 PHE HB2 1 16 PHE QD 0.000 . 5.000 2.474 2.307 2.767 . 0 0 "[ . 1 . 2]" 1
229 1 16 PHE HB2 1 19 ALA HA 0.000 . 2.850 2.507 2.125 2.856 0.006 7 0 "[ . 1 . 2]" 1
230 1 16 PHE HB3 1 16 PHE QD 0.000 . 2.850 2.419 2.298 2.659 . 0 0 "[ . 1 . 2]" 1
231 1 16 PHE HB3 1 19 ALA HA 0.000 . 5.000 2.845 2.062 3.455 . 0 0 "[ . 1 . 2]" 1
232 1 16 PHE QD 1 41 VAL MG1 0.000 . 8.500 5.996 5.453 6.388 . 0 0 "[ . 1 . 2]" 1
233 1 16 PHE QD 1 41 VAL MG2 0.000 . 8.500 5.263 4.538 5.722 . 0 0 "[ . 1 . 2]" 1
234 1 16 PHE QD 1 98 VAL HA 0.000 . 7.000 4.293 3.385 5.021 . 0 0 "[ . 1 . 2]" 1
235 1 16 PHE QE 1 41 VAL MG1 0.000 . 8.500 4.215 3.553 4.821 . 0 0 "[ . 1 . 2]" 1
236 1 16 PHE QE 1 41 VAL MG2 0.000 . 8.500 3.466 2.803 4.048 . 0 0 "[ . 1 . 2]" 1
237 1 16 PHE QE 1 42 VAL H 0.000 . 7.001 6.021 5.504 6.378 . 0 0 "[ . 1 . 2]" 1
238 1 16 PHE QE 1 87 PHE QD 0.000 . 9.000 3.025 2.017 3.632 . 0 0 "[ . 1 . 2]" 1
239 1 16 PHE QE 1 87 PHE QE 0.000 . 9.000 3.203 2.455 3.746 . 0 0 "[ . 1 . 2]" 1
240 1 16 PHE QE 1 88 TYR HA 0.000 . 5.560 3.517 2.699 4.670 . 0 0 "[ . 1 . 2]" 1
241 1 16 PHE QE 1 89 CYS H 0.000 . 7.000 4.996 4.472 5.792 . 0 0 "[ . 1 . 2]" 1
242 1 16 PHE QE 1 89 CYS QB 0.000 . 8.000 4.125 3.292 5.357 . 0 0 "[ . 1 . 2]" 1
243 1 16 PHE QE 1 98 VAL HA 0.000 . 5.560 3.808 2.952 4.879 . 0 0 "[ . 1 . 2]" 1
244 1 16 PHE HZ 1 31 PHE QE 0.000 . 7.000 6.251 5.899 6.540 . 0 0 "[ . 1 . 2]" 1
245 1 16 PHE HZ 1 41 VAL MG1 0.000 . 6.500 3.890 3.135 4.496 . 0 0 "[ . 1 . 2]" 1
246 1 16 PHE HZ 1 41 VAL MG2 0.000 . 6.500 2.776 2.046 3.726 . 0 0 "[ . 1 . 2]" 1
247 1 16 PHE HZ 1 87 PHE QD 0.000 . 7.000 3.049 2.600 3.520 . 0 0 "[ . 1 . 2]" 1
248 1 16 PHE HZ 1 88 TYR HA 0.000 . 5.000 4.601 3.536 5.023 0.023 9 0 "[ . 1 . 2]" 1
249 1 16 PHE HZ 1 99 GLY H 0.000 . 5.000 4.658 3.431 5.007 0.007 17 0 "[ . 1 . 2]" 1
250 1 17 GLU H 1 17 GLU HB2 0.000 . 3.100 2.694 2.507 2.882 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLU H 1 17 GLU HB3 0.000 . 4.000 3.782 3.680 3.894 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLU HA 1 19 ALA H 0.000 . 5.000 3.584 3.268 3.992 . 0 0 "[ . 1 . 2]" 1
253 1 18 PRO HA 1 19 ALA H 0.000 . 3.560 2.564 2.423 2.778 . 0 0 "[ . 1 . 2]" 1
254 1 18 PRO HA 1 20 LYS H 0.000 . 5.000 4.687 4.015 5.015 0.015 8 0 "[ . 1 . 2]" 1
255 1 18 PRO HB2 1 18 PRO QD 0.000 . 3.760 3.547 3.544 3.552 . 0 0 "[ . 1 . 2]" 1
256 1 18 PRO HB2 1 19 ALA H 0.000 . 5.000 2.448 1.973 2.768 0.027 19 0 "[ . 1 . 2]" 1
257 1 18 PRO HB2 1 20 LYS H 0.000 . 3.560 2.878 2.170 3.391 . 0 0 "[ . 1 . 2]" 1
258 1 18 PRO HB3 1 18 PRO QD 0.000 . 5.200 3.177 3.155 3.192 . 0 0 "[ . 1 . 2]" 1
259 1 18 PRO HB3 1 18 PRO QG 0.000 . 5.000 2.233 2.230 2.235 . 0 0 "[ . 1 . 2]" 1
260 1 18 PRO HB3 1 19 ALA H 0.000 . 5.000 3.395 3.195 3.544 . 0 0 "[ . 1 . 2]" 1
261 1 18 PRO HB3 1 20 LYS H 0.000 . 5.000 4.563 3.900 5.008 0.008 18 0 "[ . 1 . 2]" 1
262 1 18 PRO QD 1 18 PRO QG 0.000 . 3.560 1.963 1.961 1.965 0.039 14 0 "[ . 1 . 2]" 1
263 1 18 PRO QD 1 21 LEU MD1 0.000 . 7.500 2.442 1.842 3.912 0.158 14 0 "[ . 1 . 2]" 1
264 1 18 PRO QD 1 21 LEU MD2 0.000 . 7.500 3.634 2.327 5.048 . 0 0 "[ . 1 . 2]" 1
265 1 18 PRO QG 1 21 LEU MD1 0.000 . 7.500 2.778 1.993 4.330 0.007 12 0 "[ . 1 . 2]" 1
266 1 18 PRO QG 1 21 LEU MD2 0.000 . 7.500 3.763 1.835 5.409 0.165 5 0 "[ . 1 . 2]" 1
267 1 19 ALA H 1 19 ALA HA 0.000 . 2.850 2.897 2.880 2.947 0.097 2 0 "[ . 1 . 2]" 1
268 1 19 ALA H 1 19 ALA MB 0.000 . 6.100 2.145 2.054 2.285 . 0 0 "[ . 1 . 2]" 1
269 1 19 ALA H 1 20 LYS H 0.000 . 3.560 2.655 2.388 2.860 . 0 0 "[ . 1 . 2]" 1
270 1 19 ALA HA 1 19 ALA MB 0.000 . 3.950 2.128 2.107 2.151 . 0 0 "[ . 1 . 2]" 1
271 1 19 ALA HA 1 20 LYS H 0.000 . 5.000 3.531 3.256 3.591 . 0 0 "[ . 1 . 2]" 1
272 1 20 LYS H 1 20 LYS QB 0.000 . 4.160 2.653 2.113 3.172 . 0 0 "[ . 1 . 2]" 1
273 1 20 LYS H 1 20 LYS QG 0.000 . 6.000 2.542 1.823 4.134 0.177 11 0 "[ . 1 . 2]" 1
274 1 20 LYS HA 1 20 LYS QB 0.000 . 3.560 2.312 2.179 2.544 . 0 0 "[ . 1 . 2]" 1
275 1 20 LYS HA 1 20 LYS QD 0.000 . 6.000 3.817 2.496 4.346 . 0 0 "[ . 1 . 2]" 1
276 1 20 LYS HA 1 20 LYS QG 0.000 . 5.600 2.807 2.010 3.384 . 0 0 "[ . 1 . 2]" 1
277 1 20 LYS HA 1 21 LEU H 0.000 . 3.560 2.379 2.226 2.604 . 0 0 "[ . 1 . 2]" 1
278 1 20 LYS HA 1 21 LEU HA 0.000 . 5.000 4.538 4.459 4.614 . 0 0 "[ . 1 . 2]" 1
279 1 20 LYS HA 1 21 LEU MD1 0.000 . 6.500 4.829 3.140 5.363 . 0 0 "[ . 1 . 2]" 1
280 1 20 LYS HA 1 87 PHE QE 0.000 . 7.000 5.316 4.763 5.618 . 0 0 "[ . 1 . 2]" 1
281 1 20 LYS HA 1 87 PHE HZ 0.000 . 5.000 4.700 4.091 5.011 0.011 13 0 "[ . 1 . 2]" 1
282 1 20 LYS HA 1 100 LYS H 0.000 . 3.560 2.838 2.377 3.546 . 0 0 "[ . 1 . 2]" 1
283 1 20 LYS QB 1 21 LEU H 0.000 . 6.000 2.736 2.310 3.156 . 0 0 "[ . 1 . 2]" 1
284 1 21 LEU H 1 21 LEU MD1 0.000 . 6.500 4.202 3.136 4.700 . 0 0 "[ . 1 . 2]" 1
285 1 21 LEU H 1 22 THR H 0.000 . 5.000 4.157 3.783 4.383 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU H 1 101 ILE HA 0.000 . 3.560 3.303 2.750 3.588 0.028 1 0 "[ . 1 . 2]" 1
287 1 21 LEU H 1 102 THR H 0.000 . 5.000 3.625 3.061 4.152 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU HA 1 21 LEU MD1 0.000 . 6.500 2.981 1.875 3.773 0.125 13 0 "[ . 1 . 2]" 1
289 1 21 LEU HA 1 21 LEU MD2 0.000 . 6.500 3.016 2.173 3.793 . 0 0 "[ . 1 . 2]" 1
290 1 21 LEU HA 1 22 THR H 0.000 . 2.850 2.221 2.178 2.294 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU QB 1 21 LEU MD1 0.000 . 6.960 2.073 1.914 2.331 0.086 18 0 "[ . 1 . 2]" 1
292 1 21 LEU QB 1 21 LEU MD2 0.000 . 6.960 2.060 1.862 2.283 0.138 2 0 "[ . 1 . 2]" 1
293 1 21 LEU QB 1 21 LEU HG 0.000 . 5.000 2.458 2.194 2.546 . 0 0 "[ . 1 . 2]" 1
294 1 21 LEU QB 1 23 ILE MG 0.000 . 7.500 2.864 2.478 3.371 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU QB 1 101 ILE H 0.000 . 6.000 5.118 4.339 5.408 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU QB 1 101 ILE MD 0.000 . 7.500 4.043 3.171 4.421 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU QB 1 101 ILE MG 0.000 . 7.500 4.395 3.818 4.796 . 0 0 "[ . 1 . 2]" 1
298 1 21 LEU MD1 1 23 ILE MG 0.000 . 8.000 3.810 2.885 4.611 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU MD1 1 29 VAL MG1 0.000 . 8.000 3.187 2.058 3.985 . 0 0 "[ . 1 . 2]" 1
300 1 21 LEU MD1 1 87 PHE QE 0.000 . 8.500 4.939 3.299 6.045 . 0 0 "[ . 1 . 2]" 1
301 1 21 LEU MD1 1 101 ILE HA 0.000 . 6.500 4.950 3.720 5.429 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU MD1 1 101 ILE MD 0.000 . 8.000 5.021 3.395 5.540 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU MD2 1 22 THR H 0.000 . 6.500 3.578 2.224 4.810 . 0 0 "[ . 1 . 2]" 1
304 1 21 LEU MD2 1 23 ILE MG 0.000 . 8.000 2.624 1.625 4.880 0.375 2 0 "[ . 1 . 2]" 1
305 1 21 LEU MD2 1 29 VAL MG1 0.000 . 8.000 2.852 1.708 4.262 0.292 20 0 "[ . 1 . 2]" 1
306 1 21 LEU MD2 1 29 VAL MG2 0.000 . 8.000 3.812 2.340 5.344 . 0 0 "[ . 1 . 2]" 1
307 1 21 LEU MD2 1 87 PHE QE 0.000 . 8.500 5.361 3.887 6.474 . 0 0 "[ . 1 . 2]" 1
308 1 21 LEU HG 1 23 ILE MG 0.000 . 6.500 4.086 2.243 5.268 . 0 0 "[ . 1 . 2]" 1
309 1 22 THR H 1 22 THR HB 0.000 . 2.850 2.574 2.420 2.716 . 0 0 "[ . 1 . 2]" 1
310 1 22 THR H 1 22 THR HG1 0.000 . 6.000 3.309 3.104 3.490 . 0 0 "[ . 1 . 2]" 1
311 1 22 THR HA 1 22 THR HG1 0.000 . 5.600 2.179 2.055 2.391 . 0 0 "[ . 1 . 2]" 1
312 1 22 THR HA 1 23 ILE H 0.000 . 2.850 2.250 2.195 2.314 . 0 0 "[ . 1 . 2]" 1
313 1 22 THR HA 1 23 ILE MD 0.000 . 6.500 5.361 5.231 5.490 . 0 0 "[ . 1 . 2]" 1
314 1 22 THR HA 1 23 ILE QG 0.000 . 5.060 3.733 3.595 3.843 . 0 0 "[ . 1 . 2]" 1
315 1 22 THR HA 1 23 ILE MG 0.000 . 6.500 4.159 3.905 4.346 . 0 0 "[ . 1 . 2]" 1
316 1 22 THR HA 1 101 ILE MG 0.000 . 6.500 4.383 3.802 4.601 . 0 0 "[ . 1 . 2]" 1
317 1 22 THR HA 1 102 THR H 0.000 . 2.850 2.519 2.150 2.848 . 0 0 "[ . 1 . 2]" 1
318 1 22 THR HA 1 102 THR HB 0.000 . 3.560 2.038 1.834 2.656 0.166 17 0 "[ . 1 . 2]" 1
319 1 22 THR HB 1 22 THR HG1 0.000 . 3.560 2.056 1.942 2.087 0.058 9 0 "[ . 1 . 2]" 1
320 1 22 THR HB 1 23 ILE H 0.000 . 5.000 4.401 4.178 4.503 . 0 0 "[ . 1 . 2]" 1
321 1 22 THR HG1 1 102 THR HA 0.000 . 6.500 4.361 3.982 4.791 . 0 0 "[ . 1 . 2]" 1
322 1 22 THR HG1 1 102 THR HB 0.000 . 6.500 2.130 1.770 2.798 0.230 2 0 "[ . 1 . 2]" 1
323 1 22 THR HG1 1 104 ALA HA 0.000 . 6.500 4.916 3.792 5.174 . 0 0 "[ . 1 . 2]" 1
324 1 22 THR HG1 1 104 ALA MB 0.000 . 6.560 3.481 2.976 4.155 . 0 0 "[ . 1 . 2]" 1
325 1 23 ILE H 1 23 ILE HA 0.000 . 2.850 2.963 2.957 2.975 0.125 16 0 "[ . 1 . 2]" 1
326 1 23 ILE H 1 23 ILE HB 0.000 . 5.000 3.680 3.638 3.814 . 0 0 "[ . 1 . 2]" 1
327 1 23 ILE H 1 23 ILE MD 0.000 . 6.530 3.607 3.570 3.725 . 0 0 "[ . 1 . 2]" 1
328 1 23 ILE H 1 23 ILE QG 0.000 . 6.500 1.843 1.788 2.021 0.212 2 0 "[ . 1 . 2]" 1
329 1 23 ILE H 1 23 ILE MG 0.000 . 5.060 2.853 2.715 3.119 . 0 0 "[ . 1 . 2]" 1
330 1 23 ILE H 1 102 THR H 0.000 . 3.560 2.802 2.520 3.160 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE H 1 103 VAL HA 0.000 . 3.560 3.392 2.946 3.604 0.044 4 0 "[ . 1 . 2]" 1
332 1 23 ILE HA 1 23 ILE MD 0.000 . 6.100 3.966 3.867 4.074 . 0 0 "[ . 1 . 2]" 1
333 1 23 ILE HA 1 23 ILE MG 0.000 . 4.660 2.210 2.139 2.321 . 0 0 "[ . 1 . 2]" 1
334 1 23 ILE HA 1 24 LYS H 0.000 . 2.850 2.528 2.393 2.663 . 0 0 "[ . 1 . 2]" 1
335 1 23 ILE HA 1 27 ASP QB 0.000 . 6.000 3.896 3.556 4.462 . 0 0 "[ . 1 . 2]" 1
336 1 23 ILE HA 1 101 ILE MG 0.000 . 6.500 5.111 4.810 5.237 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE HA 1 103 VAL MG2 0.000 . 6.500 4.838 4.183 5.150 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE HB 1 23 ILE MD 0.000 . 4.810 2.091 1.894 2.164 0.106 13 0 "[ . 1 . 2]" 1
339 1 23 ILE HB 1 23 ILE QG 0.000 . 5.500 2.544 2.524 2.550 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE HB 1 23 ILE MG 0.000 . 4.060 2.114 2.103 2.147 . 0 0 "[ . 1 . 2]" 1
341 1 23 ILE HB 1 24 LYS H 0.000 . 2.850 2.213 1.928 2.457 0.072 6 0 "[ . 1 . 2]" 1
342 1 23 ILE HB 1 27 ASP H 0.000 . 5.000 4.135 3.671 5.058 0.058 17 0 "[ . 1 . 2]" 1
343 1 23 ILE HB 1 27 ASP HB2 0.000 . 3.560 2.332 1.850 2.979 0.150 2 0 "[ . 1 . 2]" 1
344 1 23 ILE HB 1 27 ASP HB3 0.000 . 5.000 3.365 2.965 4.011 . 0 0 "[ . 1 . 2]" 1
345 1 23 ILE HB 1 101 ILE MG 0.000 . 6.500 4.148 4.060 4.285 . 0 0 "[ . 1 . 2]" 1
346 1 23 ILE HB 1 103 VAL MG2 0.000 . 6.500 3.854 3.444 4.213 . 0 0 "[ . 1 . 2]" 1
347 1 23 ILE MD 1 23 ILE QG 0.000 . 5.310 1.907 1.877 1.917 0.123 13 0 "[ . 1 . 2]" 1
348 1 23 ILE MD 1 23 ILE MG 0.000 . 5.310 2.745 2.418 2.894 . 0 0 "[ . 1 . 2]" 1
349 1 23 ILE MD 1 24 LYS HA 0.000 . 6.500 4.185 3.867 4.739 . 0 0 "[ . 1 . 2]" 1
350 1 23 ILE MD 1 27 ASP HB2 0.000 . 6.500 2.939 2.180 3.607 . 0 0 "[ . 1 . 2]" 1
351 1 23 ILE MD 1 27 ASP HB3 0.000 . 6.500 4.136 3.452 4.587 . 0 0 "[ . 1 . 2]" 1
352 1 23 ILE MD 1 28 THR HA 0.000 . 6.500 5.236 5.129 5.291 . 0 0 "[ . 1 . 2]" 1
353 1 23 ILE MD 1 76 PHE H 0.000 . 6.500 4.943 4.645 5.299 . 0 0 "[ . 1 . 2]" 1
354 1 23 ILE MD 1 80 ALA HA 0.000 . 6.500 5.420 5.370 5.478 . 0 0 "[ . 1 . 2]" 1
355 1 23 ILE MD 1 101 ILE HB 0.000 . 5.060 3.978 3.923 4.045 . 0 0 "[ . 1 . 2]" 1
356 1 23 ILE MD 1 101 ILE MG 0.000 . 6.560 1.799 1.706 1.881 0.294 18 0 "[ . 1 . 2]" 1
357 1 23 ILE MD 1 103 VAL HA 0.000 . 6.500 3.660 3.383 4.148 . 0 0 "[ . 1 . 2]" 1
358 1 23 ILE MD 1 103 VAL HB 0.000 . 5.060 4.040 3.945 4.092 . 0 0 "[ . 1 . 2]" 1
359 1 23 ILE MD 1 103 VAL MG2 0.000 . 6.560 1.738 1.648 1.854 0.352 3 0 "[ . 1 . 2]" 1
360 1 23 ILE QG 1 23 ILE MG 0.000 . 7.500 1.922 1.858 2.120 0.142 8 0 "[ . 1 . 2]" 1
361 1 23 ILE QG 1 24 LYS H 0.000 . 6.500 3.813 3.559 4.005 . 0 0 "[ . 1 . 2]" 1
362 1 23 ILE QG 1 29 VAL MG1 0.000 . 6.560 4.353 4.036 4.569 . 0 0 "[ . 1 . 2]" 1
363 1 23 ILE QG 1 101 ILE MG 0.000 . 8.000 1.819 1.706 1.938 0.294 16 0 "[ . 1 . 2]" 1
364 1 23 ILE QG 1 103 VAL MG2 0.000 . 8.000 1.891 1.784 2.161 0.216 19 0 "[ . 1 . 2]" 1
365 1 23 ILE QG 1 104 ALA H 0.000 . 6.500 4.911 4.206 5.422 . 0 0 "[ . 1 . 2]" 1
366 1 23 ILE MG 1 24 LYS H 0.000 . 5.060 3.531 3.403 3.636 . 0 0 "[ . 1 . 2]" 1
367 1 23 ILE MG 1 24 LYS HA 0.000 . 6.500 5.517 5.485 5.547 . 0 0 "[ . 1 . 2]" 1
368 1 23 ILE MG 1 27 ASP HB2 0.000 . 6.500 3.468 2.804 4.106 . 0 0 "[ . 1 . 2]" 1
369 1 23 ILE MG 1 27 ASP HB3 0.000 . 6.500 3.541 2.641 4.237 . 0 0 "[ . 1 . 2]" 1
370 1 23 ILE MG 1 76 PHE QD 0.000 . 8.500 5.068 4.539 5.785 . 0 0 "[ . 1 . 2]" 1
371 1 23 ILE MG 1 76 PHE QE 0.000 . 8.500 5.050 4.430 5.638 . 0 0 "[ . 1 . 2]" 1
372 1 23 ILE MG 1 101 ILE MG 0.000 . 8.000 3.431 3.259 3.650 . 0 0 "[ . 1 . 2]" 1
373 1 23 ILE MG 1 103 VAL MG2 0.000 . 8.000 4.076 3.864 4.303 . 0 0 "[ . 1 . 2]" 1
374 1 24 LYS H 1 24 LYS QB 0.000 . 3.450 2.446 2.139 2.828 . 0 0 "[ . 1 . 2]" 1
375 1 24 LYS H 1 24 LYS QD 0.000 . 4.560 3.507 2.643 4.143 . 0 0 "[ . 1 . 2]" 1
376 1 24 LYS H 1 24 LYS QG 0.000 . 4.560 2.992 1.825 4.054 0.175 17 0 "[ . 1 . 2]" 1
377 1 24 LYS H 1 27 ASP H 0.000 . 5.000 3.854 3.297 4.741 . 0 0 "[ . 1 . 2]" 1
378 1 24 LYS H 1 27 ASP HB2 0.000 . 3.560 2.459 2.007 3.341 . 0 0 "[ . 1 . 2]" 1
379 1 24 LYS H 1 27 ASP HB3 0.000 . 5.000 3.514 3.233 4.002 . 0 0 "[ . 1 . 2]" 1
380 1 24 LYS HA 1 25 PRO QD 0.000 . 6.000 2.175 2.071 2.578 . 0 0 "[ . 1 . 2]" 1
381 1 24 LYS HA 1 103 VAL MG1 0.000 . 6.500 2.665 2.003 3.377 . 0 0 "[ . 1 . 2]" 1
382 1 24 LYS HA 1 103 VAL MG2 0.000 . 6.500 4.350 3.392 4.832 . 0 0 "[ . 1 . 2]" 1
383 1 24 LYS HA 1 104 ALA H 0.000 . 5.001 3.870 2.907 5.004 0.003 4 0 "[ . 1 . 2]" 1
384 1 24 LYS HA 1 104 ALA MB 0.000 . 6.500 4.657 3.575 5.450 . 0 0 "[ . 1 . 2]" 1
385 1 25 PRO HA 1 25 PRO HB3 0.000 . 3.100 2.302 2.297 2.305 . 0 0 "[ . 1 . 2]" 1
386 1 25 PRO HA 1 26 GLY H 0.000 . 2.850 2.460 2.343 2.588 . 0 0 "[ . 1 . 2]" 1
387 1 25 PRO HA 1 103 VAL MG1 0.000 . 6.500 1.910 1.697 2.218 0.303 11 0 "[ . 1 . 2]" 1
388 1 25 PRO HA 1 103 VAL MG2 0.000 . 6.500 3.366 2.890 3.777 . 0 0 "[ . 1 . 2]" 1
389 1 25 PRO HB2 1 25 PRO QD 0.000 . 5.000 3.562 3.546 3.570 . 0 0 "[ . 1 . 2]" 1
390 1 25 PRO HB3 1 25 PRO QD 0.000 . 5.000 3.187 3.143 3.231 . 0 0 "[ . 1 . 2]" 1
391 1 25 PRO HB3 1 26 GLY H 0.000 . 5.000 4.581 4.481 4.661 . 0 0 "[ . 1 . 2]" 1
392 1 25 PRO QD 1 25 PRO QG 0.000 . 5.000 1.968 1.963 1.971 0.037 19 0 "[ . 1 . 2]" 1
393 1 25 PRO QD 1 103 VAL MG1 0.000 . 7.500 2.692 2.286 3.492 . 0 0 "[ . 1 . 2]" 1
394 1 25 PRO QD 1 103 VAL MG2 0.000 . 7.500 4.771 4.075 5.226 . 0 0 "[ . 1 . 2]" 1
395 1 25 PRO QG 1 103 VAL MG1 0.000 . 7.500 3.370 2.961 4.017 . 0 0 "[ . 1 . 2]" 1
396 1 26 GLY H 1 26 GLY QA 0.000 . 2.850 2.425 2.361 2.471 . 0 0 "[ . 1 . 2]" 1
397 1 26 GLY H 1 27 ASP H 0.000 . 5.000 2.161 1.868 3.660 0.132 9 0 "[ . 1 . 2]" 1
398 1 26 GLY H 1 76 PHE HB2 0.000 . 5.000 3.618 3.088 4.674 . 0 0 "[ . 1 . 2]" 1
399 1 26 GLY H 1 76 PHE HB3 0.000 . 5.000 3.353 2.637 3.961 . 0 0 "[ . 1 . 2]" 1
400 1 26 GLY H 1 101 ILE MD 0.000 . 6.500 5.425 5.379 5.459 . 0 0 "[ . 1 . 2]" 1
401 1 26 GLY H 1 103 VAL MG1 0.000 . 6.500 3.340 2.812 3.947 . 0 0 "[ . 1 . 2]" 1
402 1 26 GLY QA 1 27 ASP H 0.000 . 4.560 2.825 2.260 2.941 . 0 0 "[ . 1 . 2]" 1
403 1 27 ASP H 1 27 ASP HB2 0.000 . 3.100 2.375 2.220 3.183 0.083 17 0 "[ . 1 . 2]" 1
404 1 27 ASP H 1 27 ASP HB3 0.000 . 4.000 3.607 3.533 4.057 0.057 17 0 "[ . 1 . 2]" 1
405 1 27 ASP H 1 28 THR H 0.000 . 5.000 4.559 4.059 4.701 . 0 0 "[ . 1 . 2]" 1
406 1 27 ASP H 1 76 PHE HB2 0.000 . 5.000 3.615 2.381 4.561 . 0 0 "[ . 1 . 2]" 1
407 1 27 ASP H 1 76 PHE HB3 0.000 . 5.000 4.243 2.567 5.038 0.038 17 0 "[ . 1 . 2]" 1
408 1 27 ASP HA 1 27 ASP HB3 0.000 . 3.100 2.619 2.440 2.687 . 0 0 "[ . 1 . 2]" 1
409 1 27 ASP HA 1 28 THR H 0.000 . 3.560 2.670 2.449 3.079 . 0 0 "[ . 1 . 2]" 1
410 1 27 ASP HB2 1 28 THR H 0.000 . 3.560 3.441 2.346 3.591 0.031 12 0 "[ . 1 . 2]" 1
411 1 27 ASP HB3 1 28 THR H 0.000 . 5.000 2.065 1.833 2.497 0.167 19 0 "[ . 1 . 2]" 1
412 1 28 THR H 1 28 THR HA 0.000 . 2.850 2.972 2.938 2.980 0.130 1 0 "[ . 1 . 2]" 1
413 1 28 THR H 1 28 THR HB 0.000 . 5.000 2.739 2.505 3.145 . 0 0 "[ . 1 . 2]" 1
414 1 28 THR H 1 28 THR HG1 0.000 . 6.000 3.189 2.589 3.686 . 0 0 "[ . 1 . 2]" 1
415 1 28 THR HA 1 28 THR HG1 0.000 . 5.600 2.225 2.016 2.380 . 0 0 "[ . 1 . 2]" 1
416 1 28 THR HA 1 29 VAL H 0.000 . 2.850 2.228 2.182 2.374 . 0 0 "[ . 1 . 2]" 1
417 1 28 THR HA 1 29 VAL MG2 0.000 . 6.500 3.322 3.079 3.643 . 0 0 "[ . 1 . 2]" 1
418 1 28 THR HA 1 75 THR H 0.000 . 5.000 5.027 4.977 5.062 0.062 15 0 "[ . 1 . 2]" 1
419 1 28 THR HA 1 75 THR HA 0.000 . 2.850 2.339 2.145 2.581 . 0 0 "[ . 1 . 2]" 1
420 1 28 THR HA 1 75 THR HG1 0.000 . 6.500 3.841 2.834 4.896 . 0 0 "[ . 1 . 2]" 1
421 1 28 THR HA 1 76 PHE QD 0.000 . 7.000 3.531 3.060 4.259 . 0 0 "[ . 1 . 2]" 1
422 1 28 THR HB 1 28 THR HG1 0.000 . 3.560 1.975 1.869 2.071 0.131 4 0 "[ . 1 . 2]" 1
423 1 28 THR HG1 1 29 VAL H 0.000 . 5.060 2.587 1.973 3.087 0.027 12 0 "[ . 1 . 2]" 1
424 1 28 THR HG1 1 73 SER HA 0.000 . 6.500 4.003 3.247 4.563 . 0 0 "[ . 1 . 2]" 1
425 1 28 THR HG1 1 73 SER QB 0.000 . 7.500 2.914 2.068 4.252 . 0 0 "[ . 1 . 2]" 1
426 1 28 THR HG1 1 74 THR H 0.000 . 6.500 4.063 2.900 4.855 . 0 0 "[ . 1 . 2]" 1
427 1 28 THR HG1 1 75 THR H 0.000 . 6.500 3.668 3.272 3.889 . 0 0 "[ . 1 . 2]" 1
428 1 29 VAL H 1 29 VAL HA 0.000 . 2.850 2.967 2.957 2.976 0.126 2 0 "[ . 1 . 2]" 1
429 1 29 VAL H 1 29 VAL HB 0.000 . 3.560 2.836 2.590 3.016 . 0 0 "[ . 1 . 2]" 1
430 1 29 VAL H 1 29 VAL MG1 0.000 . 6.500 3.878 3.804 3.974 . 0 0 "[ . 1 . 2]" 1
431 1 29 VAL H 1 29 VAL MG2 0.000 . 6.500 2.294 1.862 2.684 0.138 10 0 "[ . 1 . 2]" 1
432 1 29 VAL HA 1 29 VAL MG1 0.000 . 4.760 2.168 2.001 2.354 . 0 0 "[ . 1 . 2]" 1
433 1 29 VAL HA 1 29 VAL MG2 0.000 . 4.760 2.542 2.385 2.688 . 0 0 "[ . 1 . 2]" 1
434 1 29 VAL HA 1 30 GLU H 0.000 . 5.000 2.229 2.191 2.336 . 0 0 "[ . 1 . 2]" 1
435 1 29 VAL HB 1 29 VAL MG1 0.000 . 3.350 2.135 2.109 2.150 . 0 0 "[ . 1 . 2]" 1
436 1 29 VAL HB 1 29 VAL MG2 0.000 . 3.350 2.135 2.109 2.152 . 0 0 "[ . 1 . 2]" 1
437 1 29 VAL HB 1 31 PHE QD 0.000 . 7.000 4.135 3.902 4.460 . 0 0 "[ . 1 . 2]" 1
438 1 29 VAL HB 1 74 THR H 0.000 . 5.000 4.569 3.902 5.027 0.027 11 0 "[ . 1 . 2]" 1
439 1 29 VAL HB 1 76 PHE QD 0.000 . 7.000 3.960 3.459 5.058 . 0 0 "[ . 1 . 2]" 1
440 1 29 VAL HB 1 76 PHE HZ 0.000 . 5.000 4.834 4.440 5.003 0.003 1 0 "[ . 1 . 2]" 1
441 1 29 VAL MG1 1 31 PHE HA 0.000 . 6.500 4.772 4.401 5.162 . 0 0 "[ . 1 . 2]" 1
442 1 29 VAL MG1 1 31 PHE QD 0.000 . 8.500 2.941 2.404 3.498 . 0 0 "[ . 1 . 2]" 1
443 1 29 VAL MG1 1 31 PHE QE 0.000 . 8.500 2.030 1.807 2.541 0.193 1 0 "[ . 1 . 2]" 1
444 1 29 VAL MG2 1 75 THR HA 0.000 . 6.500 4.818 4.318 5.285 . 0 0 "[ . 1 . 2]" 1
445 1 30 GLU H 1 30 GLU HA 0.000 . 2.850 2.964 2.954 2.975 0.125 16 0 "[ . 1 . 2]" 1
446 1 30 GLU H 1 30 GLU QB 0.000 . 3.450 2.375 2.222 2.665 . 0 0 "[ . 1 . 2]" 1
447 1 30 GLU H 1 30 GLU QG 0.000 . 6.000 3.573 2.296 4.126 . 0 0 "[ . 1 . 2]" 1
448 1 30 GLU HA 1 30 GLU QB 0.000 . 5.000 2.450 2.279 2.543 . 0 0 "[ . 1 . 2]" 1
449 1 30 GLU HA 1 30 GLU QG 0.000 . 5.600 2.252 1.905 3.130 0.095 13 0 "[ . 1 . 2]" 1
450 1 30 GLU HA 1 31 PHE H 0.000 . 2.850 2.241 2.176 2.441 . 0 0 "[ . 1 . 2]" 1
451 1 30 GLU HA 1 73 SER HA 0.000 . 2.850 2.371 1.879 2.873 0.121 1 0 "[ . 1 . 2]" 1
452 1 30 GLU HA 1 74 THR H 0.000 . 5.000 3.671 3.003 4.278 . 0 0 "[ . 1 . 2]" 1
453 1 30 GLU QB 1 31 PHE H 0.000 . 6.000 3.378 2.505 3.754 . 0 0 "[ . 1 . 2]" 1
454 1 30 GLU QB 1 73 SER HA 0.000 . 6.000 4.038 3.112 4.904 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLU QG 1 31 PHE H 0.000 . 6.000 3.228 2.013 4.461 . 0 0 "[ . 1 . 2]" 1
456 1 30 GLU QG 1 73 SER HA 0.000 . 6.000 2.996 2.275 4.302 . 0 0 "[ . 1 . 2]" 1
457 1 31 PHE H 1 31 PHE QB 0.000 . 5.600 3.048 2.788 3.202 . 0 0 "[ . 1 . 2]" 1
458 1 31 PHE H 1 31 PHE QD 0.000 . 5.560 2.469 1.909 3.236 0.091 13 0 "[ . 1 . 2]" 1
459 1 31 PHE H 1 32 LEU H 0.000 . 5.000 4.114 3.385 4.620 . 0 0 "[ . 1 . 2]" 1
460 1 31 PHE H 1 72 THR H 0.000 . 5.000 3.786 3.037 5.020 0.020 13 0 "[ . 1 . 2]" 1
461 1 31 PHE H 1 72 THR HG1 0.000 . 6.500 4.720 3.906 5.255 . 0 0 "[ . 1 . 2]" 1
462 1 31 PHE H 1 73 SER HA 0.000 . 5.000 3.359 2.476 4.411 . 0 0 "[ . 1 . 2]" 1
463 1 31 PHE HA 1 31 PHE QB 0.000 . 5.200 2.207 2.185 2.246 . 0 0 "[ . 1 . 2]" 1
464 1 31 PHE HA 1 31 PHE QD 0.000 . 4.560 3.251 2.649 3.474 . 0 0 "[ . 1 . 2]" 1
465 1 31 PHE HA 1 32 LEU H 0.000 . 2.850 2.320 2.239 2.375 . 0 0 "[ . 1 . 2]" 1
466 1 31 PHE QB 1 31 PHE QD 0.000 . 3.760 2.160 2.153 2.175 . 0 0 "[ . 1 . 2]" 1
467 1 31 PHE QB 1 32 LEU H 0.000 . 5.800 3.325 2.817 3.828 . 0 0 "[ . 1 . 2]" 1
468 1 31 PHE QB 1 41 VAL MG2 0.000 . 7.500 2.394 1.837 3.095 0.163 17 0 "[ . 1 . 2]" 1
469 1 31 PHE QD 1 32 LEU H 0.000 . 7.000 4.822 4.589 4.999 . 0 0 "[ . 1 . 2]" 1
470 1 31 PHE QD 1 72 THR HG1 0.000 . 8.500 3.431 1.931 4.454 0.069 3 0 "[ . 1 . 2]" 1
471 1 31 PHE QD 1 73 SER HA 0.000 . 7.000 3.855 2.441 4.658 . 0 0 "[ . 1 . 2]" 1
472 1 31 PHE QD 1 74 THR H 0.000 . 7.000 3.781 3.195 4.340 . 0 0 "[ . 1 . 2]" 1
473 1 31 PHE QD 1 74 THR HB 0.000 . 7.000 4.889 4.292 5.562 . 0 0 "[ . 1 . 2]" 1
474 1 31 PHE QD 1 76 PHE QD 0.000 . 9.000 6.906 6.771 7.124 . 0 0 "[ . 1 . 2]" 1
475 1 31 PHE QD 1 87 PHE QE 0.000 . 9.000 4.622 3.567 5.425 . 0 0 "[ . 1 . 2]" 1
476 1 31 PHE QE 1 41 VAL MG1 0.000 . 8.500 3.366 2.833 3.808 . 0 0 "[ . 1 . 2]" 1
477 1 31 PHE QE 1 43 PHE HZ 0.000 . 7.000 3.933 3.290 4.261 . 0 0 "[ . 1 . 2]" 1
478 1 31 PHE QE 1 74 THR HB 0.000 . 7.000 2.632 1.916 3.407 0.084 15 0 "[ . 1 . 2]" 1
479 1 31 PHE QE 1 76 PHE QD 0.000 . 9.000 4.941 4.789 5.105 . 0 0 "[ . 1 . 2]" 1
480 1 31 PHE QE 1 87 PHE QE 0.000 . 9.000 4.615 4.029 5.253 . 0 0 "[ . 1 . 2]" 1
481 1 31 PHE QE 1 101 ILE MD 0.000 . 8.500 3.600 3.179 3.960 . 0 0 "[ . 1 . 2]" 1
482 1 31 PHE HZ 1 73 SER HA 0.000 . 5.000 5.026 4.970 5.051 0.051 2 0 "[ . 1 . 2]" 1
483 1 31 PHE HZ 1 74 THR H 0.000 . 5.001 3.529 3.244 4.237 . 0 0 "[ . 1 . 2]" 1
484 1 31 PHE HZ 1 74 THR HB 0.000 . 5.000 2.454 1.865 4.027 0.135 11 0 "[ . 1 . 2]" 1
485 1 31 PHE HZ 1 87 PHE QD 0.000 . 7.000 6.110 5.487 6.511 . 0 0 "[ . 1 . 2]" 1
486 1 31 PHE HZ 1 87 PHE QE 0.000 . 7.000 6.104 5.477 6.495 . 0 0 "[ . 1 . 2]" 1
487 1 32 LEU H 1 32 LEU HA 0.000 . 2.850 2.958 2.945 2.965 0.115 1 0 "[ . 1 . 2]" 1
488 1 32 LEU H 1 32 LEU QB 0.000 . 4.160 2.924 2.473 3.263 . 0 0 "[ . 1 . 2]" 1
489 1 32 LEU H 1 32 LEU QD 0.000 . 7.810 2.222 1.686 3.034 0.314 14 0 "[ . 1 . 2]" 1
490 1 32 LEU HA 1 32 LEU QD 0.000 . 5.050 3.131 2.334 3.430 . 0 0 "[ . 1 . 2]" 1
491 1 32 LEU HA 1 33 ASN H 0.000 . 2.850 2.578 2.325 2.812 . 0 0 "[ . 1 . 2]" 1
492 1 32 LEU HA 1 71 SER HA 0.000 . 3.560 3.649 3.321 3.821 0.261 2 0 "[ . 1 . 2]" 1
493 1 32 LEU QB 1 32 LEU QD 0.000 . 7.020 1.799 1.676 1.990 0.324 20 0 "[ . 1 . 2]" 1
494 1 32 LEU QB 1 33 ASN H 0.000 . 5.800 2.212 1.825 2.571 0.175 14 0 "[ . 1 . 2]" 1
495 1 32 LEU QB 1 71 SER HA 0.000 . 6.000 4.773 4.216 5.149 . 0 0 "[ . 1 . 2]" 1
496 1 32 LEU QD 1 32 LEU HG 0.000 . 5.500 1.892 1.880 1.909 0.120 1 0 "[ . 1 . 2]" 1
497 1 32 LEU QD 1 33 ASN H 0.000 . 7.900 3.499 2.540 3.898 . 0 0 "[ . 1 . 2]" 1
498 1 32 LEU QD 1 69 GLY H 0.000 . 7.900 4.362 3.723 4.770 . 0 0 "[ . 1 . 2]" 1
499 1 32 LEU QD 1 69 GLY QA 0.000 . 8.900 2.657 1.764 3.904 0.236 12 0 "[ . 1 . 2]" 1
500 1 32 LEU QD 1 71 SER HA 0.000 . 7.900 5.288 4.099 5.901 . 0 0 "[ . 1 . 2]" 1
501 1 32 LEU QD 1 71 SER QB 0.000 . 8.900 4.010 2.002 4.659 . 0 0 "[ . 1 . 2]" 1
502 1 33 ASN H 1 33 ASN HB2 0.000 . 4.000 3.697 3.533 3.846 . 0 0 "[ . 1 . 2]" 1
503 1 33 ASN H 1 33 ASN HB3 0.000 . 3.400 2.582 2.267 3.358 . 0 0 "[ . 1 . 2]" 1
504 1 33 ASN H 1 69 GLY H 0.000 . 5.000 2.889 2.444 3.561 . 0 0 "[ . 1 . 2]" 1
505 1 33 ASN H 1 70 GLN H 0.000 . 5.000 2.996 1.852 4.780 0.148 10 0 "[ . 1 . 2]" 1
506 1 33 ASN H 1 71 SER HA 0.000 . 5.000 4.679 4.156 5.022 0.022 5 0 "[ . 1 . 2]" 1
507 1 33 ASN H 1 71 SER QB 0.000 . 6.000 3.420 2.725 3.841 . 0 0 "[ . 1 . 2]" 1
508 1 33 ASN HA 1 33 ASN HB2 0.000 . 3.100 2.334 2.302 2.694 . 0 0 "[ . 1 . 2]" 1
509 1 33 ASN HA 1 33 ASN HB3 0.000 . 3.100 2.640 2.277 2.683 . 0 0 "[ . 1 . 2]" 1
510 1 33 ASN HA 1 34 ASN H 0.000 . 3.560 2.436 2.216 2.694 . 0 0 "[ . 1 . 2]" 1
511 1 33 ASN HA 1 39 HIS HD2 0.000 . 3.560 3.627 3.594 3.675 0.115 13 0 "[ . 1 . 2]" 1
512 1 33 ASN HB2 1 69 GLY H 0.000 . 5.000 4.342 2.639 4.519 . 0 0 "[ . 1 . 2]" 1
513 1 33 ASN HB3 1 33 ASN HD22 0.000 . 3.560 3.686 3.444 3.757 0.197 4 0 "[ . 1 . 2]" 1
514 1 33 ASN HB3 1 68 PRO HA 0.000 . 5.000 4.623 3.915 5.012 0.012 16 0 "[ . 1 . 2]" 1
515 1 33 ASN HB3 1 69 GLY H 0.000 . 3.560 3.681 3.607 3.891 0.331 6 0 "[ . 1 . 2]" 1
516 1 33 ASN HB3 1 70 GLN H 0.000 . 5.000 4.251 3.474 5.041 0.041 13 0 "[ . 1 . 2]" 1
517 1 33 ASN HB3 1 71 SER HA 0.000 . 5.000 4.813 4.211 5.142 0.142 20 0 "[ . 1 . 2]" 1
518 1 33 ASN HD21 1 37 PRO HB2 0.000 . 5.000 3.410 2.898 3.765 . 0 0 "[ . 1 . 2]" 1
519 1 33 ASN HD21 1 37 PRO HB3 0.000 . 5.000 1.909 1.812 2.418 0.188 4 0 "[ . 1 . 2]" 1
520 1 33 ASN HD21 1 39 HIS HE2 0.000 . 5.000 4.972 4.815 5.078 0.078 18 0 "[ . 1 . 2]" 1
521 1 33 ASN HD21 1 65 LEU QB 0.000 . 6.000 3.540 2.448 5.081 . 0 0 "[ . 1 . 2]" 1
522 1 33 ASN HD21 1 67 SER H 0.000 . 5.000 4.685 4.162 5.013 0.013 20 0 "[ . 1 . 2]" 1
523 1 33 ASN HD22 1 67 SER H 0.000 . 5.000 4.704 3.412 5.042 0.042 1 0 "[ . 1 . 2]" 1
524 1 34 ASN H 1 34 ASN HB2 0.000 . 3.400 2.949 2.561 3.372 . 0 0 "[ . 1 . 2]" 1
525 1 34 ASN H 1 34 ASN HB3 0.000 . 3.100 2.683 2.417 3.006 . 0 0 "[ . 1 . 2]" 1
526 1 34 ASN H 1 35 LYS H 0.000 . 5.000 3.008 1.806 4.272 0.194 18 0 "[ . 1 . 2]" 1
527 1 34 ASN H 1 39 HIS HE2 0.000 . 5.000 3.497 2.887 4.028 . 0 0 "[ . 1 . 2]" 1
528 1 34 ASN HA 1 34 ASN HB2 0.000 . 3.100 2.503 2.409 2.672 . 0 0 "[ . 1 . 2]" 1
529 1 34 ASN HA 1 35 LYS H 0.000 . 5.000 3.473 2.938 3.590 . 0 0 "[ . 1 . 2]" 1
530 1 34 ASN HA 1 69 GLY H 0.000 . 5.000 4.824 4.302 5.043 0.043 14 0 "[ . 1 . 2]" 1
531 1 34 ASN HB2 1 34 ASN HD21 0.000 . 5.000 3.108 2.717 3.571 . 0 0 "[ . 1 . 2]" 1
532 1 34 ASN HB2 1 35 LYS H 0.000 . 5.000 3.465 3.293 3.905 . 0 0 "[ . 1 . 2]" 1
533 1 34 ASN HB3 1 34 ASN HD21 0.000 . 5.000 2.370 2.248 2.587 . 0 0 "[ . 1 . 2]" 1
534 1 34 ASN HB3 1 34 ASN HD22 0.000 . 3.560 3.556 3.511 3.633 0.073 3 0 "[ . 1 . 2]" 1
535 1 34 ASN HB3 1 35 LYS H 0.000 . 3.560 1.990 1.840 2.655 0.160 10 0 "[ . 1 . 2]" 1
536 1 34 ASN HD21 1 35 LYS H 0.000 . 5.000 3.165 2.038 3.965 . 0 0 "[ . 1 . 2]" 1
537 1 34 ASN HD22 1 35 LYS H 0.000 . 5.000 4.073 2.970 4.995 . 0 0 "[ . 1 . 2]" 1
538 1 35 LYS H 1 39 HIS HE2 0.000 . 5.000 4.273 3.372 5.024 0.024 14 0 "[ . 1 . 2]" 1
539 1 35 LYS HA 1 35 LYS QB 0.000 . 3.560 2.389 2.181 2.529 . 0 0 "[ . 1 . 2]" 1
540 1 35 LYS HA 1 35 LYS QG 0.000 . 5.600 2.546 1.949 3.329 0.051 15 0 "[ . 1 . 2]" 1
541 1 35 LYS HA 1 36 VAL H 0.000 . 2.850 2.911 2.869 3.010 0.160 18 0 "[ . 1 . 2]" 1
542 1 35 LYS QB 1 36 VAL H 0.000 . 5.800 3.602 1.845 4.055 0.155 20 0 "[ . 1 . 2]" 1
543 1 36 VAL H 1 36 VAL HB 0.000 . 5.000 2.983 2.352 3.388 . 0 0 "[ . 1 . 2]" 1
544 1 36 VAL H 1 36 VAL MG1 0.000 . 6.500 3.972 3.730 4.049 . 0 0 "[ . 1 . 2]" 1
545 1 36 VAL H 1 36 VAL MG2 0.000 . 6.500 2.692 2.297 3.057 . 0 0 "[ . 1 . 2]" 1
546 1 36 VAL H 1 37 PRO QD 0.000 . 4.560 2.490 2.016 4.031 . 0 0 "[ . 1 . 2]" 1
547 1 36 VAL H 1 39 HIS HE2 0.000 . 5.000 2.986 2.580 3.847 . 0 0 "[ . 1 . 2]" 1
548 1 36 VAL HA 1 36 VAL MG1 0.000 . 6.700 2.217 1.981 2.500 0.019 4 0 "[ . 1 . 2]" 1
549 1 36 VAL HA 1 36 VAL MG2 0.000 . 6.700 2.484 2.149 2.803 . 0 0 "[ . 1 . 2]" 1
550 1 36 VAL HA 1 37 PRO QD 0.000 . 6.000 2.162 1.851 2.313 0.149 15 0 "[ . 1 . 2]" 1
551 1 36 VAL HA 1 39 HIS HE2 0.000 . 5.000 4.309 4.097 4.885 . 0 0 "[ . 1 . 2]" 1
552 1 36 VAL HB 1 36 VAL MG1 0.000 . 5.500 2.132 2.109 2.150 . 0 0 "[ . 1 . 2]" 1
553 1 36 VAL HB 1 36 VAL MG2 0.000 . 5.500 2.146 2.111 2.156 . 0 0 "[ . 1 . 2]" 1
554 1 36 VAL HB 1 39 HIS HE1 0.000 . 5.000 3.816 3.308 5.030 0.030 18 0 "[ . 1 . 2]" 1
555 1 36 VAL HB 1 39 HIS HE2 0.000 . 5.000 3.058 2.611 4.462 . 0 0 "[ . 1 . 2]" 1
556 1 36 VAL MG1 1 39 HIS HE1 0.000 . 6.500 4.590 3.580 5.325 . 0 0 "[ . 1 . 2]" 1
557 1 36 VAL MG1 1 39 HIS HE2 0.000 . 6.500 4.040 3.569 4.489 . 0 0 "[ . 1 . 2]" 1
558 1 37 PRO HA 1 37 PRO HB3 0.000 . 3.100 2.308 2.302 2.318 . 0 0 "[ . 1 . 2]" 1
559 1 37 PRO HB2 1 37 PRO QD 0.000 . 5.000 3.560 3.544 3.566 . 0 0 "[ . 1 . 2]" 1
560 1 37 PRO HB2 1 39 HIS H 0.000 . 5.000 4.282 4.011 4.757 . 0 0 "[ . 1 . 2]" 1
561 1 37 PRO HB2 1 66 MET HA 0.000 . 5.000 3.436 2.427 4.918 . 0 0 "[ . 1 . 2]" 1
562 1 37 PRO HB3 1 39 HIS H 0.000 . 5.000 4.137 3.716 4.952 . 0 0 "[ . 1 . 2]" 1
563 1 37 PRO HB3 1 39 HIS HE2 0.000 . 5.000 4.320 4.150 4.679 . 0 0 "[ . 1 . 2]" 1
564 1 37 PRO QD 1 37 PRO QG 0.000 . 5.000 1.966 1.963 1.969 0.037 18 0 "[ . 1 . 2]" 1
565 1 37 PRO QD 1 39 HIS HE2 0.000 . 6.000 3.965 3.710 4.355 . 0 0 "[ . 1 . 2]" 1
566 1 38 PRO HA 1 38 PRO HB3 0.000 . 3.100 2.316 2.311 2.321 . 0 0 "[ . 1 . 2]" 1
567 1 38 PRO HA 1 39 HIS H 0.000 . 3.560 2.516 2.345 2.892 . 0 0 "[ . 1 . 2]" 1
568 1 38 PRO HA 1 39 HIS HE2 0.000 . 5.000 5.113 5.045 5.155 0.155 12 0 "[ . 1 . 2]" 1
569 1 38 PRO HB2 1 39 HIS H 0.000 . 2.850 2.572 1.833 2.912 0.167 4 0 "[ . 1 . 2]" 1
570 1 38 PRO HB3 1 38 PRO QD 0.000 . 3.560 3.240 3.213 3.257 . 0 0 "[ . 1 . 2]" 1
571 1 38 PRO HB3 1 64 LEU MD2 0.000 . 6.500 3.794 2.778 5.477 . 0 0 "[ . 1 . 2]" 1
572 1 38 PRO HB3 1 66 MET HA 0.000 . 5.000 3.550 2.375 4.833 . 0 0 "[ . 1 . 2]" 1
573 1 39 HIS H 1 39 HIS HB2 0.000 . 3.100 2.656 2.534 2.970 . 0 0 "[ . 1 . 2]" 1
574 1 39 HIS H 1 39 HIS HB3 0.000 . 4.000 3.804 3.737 3.972 . 0 0 "[ . 1 . 2]" 1
575 1 39 HIS H 1 40 ASN H 0.000 . 5.001 4.397 4.068 4.520 . 0 0 "[ . 1 . 2]" 1
576 1 39 HIS H 1 65 LEU H 0.000 . 5.000 2.668 1.977 3.109 0.023 11 0 "[ . 1 . 2]" 1
577 1 39 HIS HA 1 39 HIS HB3 0.000 . 3.100 2.534 2.508 2.568 . 0 0 "[ . 1 . 2]" 1
578 1 39 HIS HA 1 40 ASN H 0.000 . 3.560 2.257 2.175 2.387 . 0 0 "[ . 1 . 2]" 1
579 1 39 HIS HA 1 65 LEU H 0.000 . 5.000 4.964 4.588 5.068 0.068 19 0 "[ . 1 . 2]" 1
580 1 39 HIS HB2 1 40 ASN H 0.000 . 5.000 4.101 3.745 4.370 . 0 0 "[ . 1 . 2]" 1
581 1 39 HIS HB2 1 65 LEU MD1 0.000 . 6.500 3.072 1.738 4.061 0.262 19 0 "[ . 1 . 2]" 1
582 1 39 HIS HB3 1 40 ASN H 0.000 . 3.560 3.037 2.556 3.541 . 0 0 "[ . 1 . 2]" 1
583 1 39 HIS HE2 1 92 HIS HD2 0.000 . 5.000 5.111 5.072 5.150 0.150 9 0 "[ . 1 . 2]" 1
584 1 39 HIS HE2 1 92 HIS HE1 0.000 . 5.000 3.644 2.777 4.698 . 0 0 "[ . 1 . 2]" 1
585 1 39 HIS HE2 1 97 MET ME 0.000 . 6.000 4.803 4.655 4.931 . 0 0 "[ . 1 . 2]" 1
586 1 40 ASN H 1 40 ASN QB 0.000 . 5.600 2.462 2.217 2.756 . 0 0 "[ . 1 . 2]" 1
587 1 40 ASN H 1 42 VAL MG2 0.000 . 6.500 5.241 5.003 5.404 . 0 0 "[ . 1 . 2]" 1
588 1 40 ASN H 1 65 LEU MD1 0.000 . 6.500 4.632 3.255 5.164 . 0 0 "[ . 1 . 2]" 1
589 1 40 ASN H 1 89 CYS HA 0.000 . 5.000 3.423 2.930 3.739 . 0 0 "[ . 1 . 2]" 1
590 1 40 ASN H 1 89 CYS QB 0.000 . 6.000 3.910 2.445 4.231 . 0 0 "[ . 1 . 2]" 1
591 1 40 ASN H 1 91 PRO QG 0.000 . 6.000 3.029 2.549 3.668 . 0 0 "[ . 1 . 2]" 1
592 1 40 ASN HA 1 40 ASN QB 0.000 . 5.000 2.458 2.314 2.550 . 0 0 "[ . 1 . 2]" 1
593 1 40 ASN HA 1 41 VAL H 0.000 . 5.000 2.225 2.182 2.461 . 0 0 "[ . 1 . 2]" 1
594 1 40 ASN HA 1 41 VAL MG2 0.000 . 6.500 4.050 3.533 4.782 . 0 0 "[ . 1 . 2]" 1
595 1 40 ASN HA 1 65 LEU MD1 0.000 . 6.500 3.383 2.130 5.072 . 0 0 "[ . 1 . 2]" 1
596 1 40 ASN HA 1 65 LEU MD2 0.000 . 6.500 4.129 2.757 5.180 . 0 0 "[ . 1 . 2]" 1
597 1 40 ASN QB 1 40 ASN QD 0.000 . 5.760 2.432 2.183 2.767 . 0 0 "[ . 1 . 2]" 1
598 1 40 ASN QB 1 41 VAL H 0.000 . 4.560 3.620 2.934 3.947 . 0 0 "[ . 1 . 2]" 1
599 1 40 ASN QD 1 62 LYS HA 0.000 . 4.560 3.311 1.959 4.129 0.041 19 0 "[ . 1 . 2]" 1
600 1 40 ASN QD 1 90 GLU H 0.000 . 7.001 4.688 3.231 5.407 . 0 0 "[ . 1 . 2]" 1
601 1 41 VAL H 1 41 VAL HB 0.000 . 5.000 2.419 2.253 2.677 . 0 0 "[ . 1 . 2]" 1
602 1 41 VAL H 1 41 VAL MG1 0.000 . 5.060 3.711 3.270 3.843 . 0 0 "[ . 1 . 2]" 1
603 1 41 VAL H 1 41 VAL MG2 0.000 . 5.060 2.956 2.441 3.483 . 0 0 "[ . 1 . 2]" 1
604 1 41 VAL H 1 42 VAL MG2 0.000 . 6.500 3.586 3.126 4.185 . 0 0 "[ . 1 . 2]" 1
605 1 41 VAL HA 1 41 VAL MG1 0.000 . 4.760 2.489 2.344 2.911 . 0 0 "[ . 1 . 2]" 1
606 1 41 VAL HA 1 41 VAL MG2 0.000 . 4.760 2.178 1.888 2.409 0.112 7 0 "[ . 1 . 2]" 1
607 1 41 VAL HA 1 42 VAL H 0.000 . 3.560 2.199 2.173 2.235 . 0 0 "[ . 1 . 2]" 1
608 1 41 VAL HA 1 88 TYR QD 0.000 . 7.000 5.785 5.472 5.999 . 0 0 "[ . 1 . 2]" 1
609 1 41 VAL HA 1 88 TYR QE 0.000 . 7.000 6.412 6.143 6.548 . 0 0 "[ . 1 . 2]" 1
610 1 41 VAL HB 1 41 VAL MG1 0.000 . 4.060 2.133 2.107 2.151 . 0 0 "[ . 1 . 2]" 1
611 1 41 VAL HB 1 41 VAL MG2 0.000 . 4.060 2.125 2.106 2.153 . 0 0 "[ . 1 . 2]" 1
612 1 41 VAL HB 1 61 HIS H 0.000 . 5.000 4.165 3.073 4.764 . 0 0 "[ . 1 . 2]" 1
613 1 41 VAL MG1 1 42 VAL H 0.000 . 6.500 2.743 2.404 3.063 . 0 0 "[ . 1 . 2]" 1
614 1 41 VAL MG1 1 42 VAL HA 0.000 . 6.500 3.345 3.176 3.620 . 0 0 "[ . 1 . 2]" 1
615 1 41 VAL MG1 1 43 PHE HZ 0.000 . 6.500 3.322 2.419 4.325 . 0 0 "[ . 1 . 2]" 1
616 1 41 VAL MG1 1 60 SER HA 0.000 . 6.500 3.489 2.679 4.200 . 0 0 "[ . 1 . 2]" 1
617 1 41 VAL MG1 1 60 SER QB 0.000 . 7.500 4.105 3.306 4.839 . 0 0 "[ . 1 . 2]" 1
618 1 41 VAL MG1 1 61 HIS H 0.000 . 6.500 3.812 2.961 4.691 . 0 0 "[ . 1 . 2]" 1
619 1 41 VAL MG1 1 61 HIS HB3 . . 6.500 5.155 4.529 5.354 . 0 0 "[ . 1 . 2]" 1
620 1 41 VAL MG1 1 61 HIS HD2 0.000 . 6.500 3.365 2.839 3.827 . 0 0 "[ . 1 . 2]" 1
621 1 41 VAL MG1 1 65 LEU MD2 0.000 . 8.000 5.260 4.576 5.491 . 0 0 "[ . 1 . 2]" 1
622 1 41 VAL MG1 1 72 THR HG1 0.000 . 8.000 4.067 2.646 5.174 . 0 0 "[ . 1 . 2]" 1
623 1 41 VAL MG1 1 87 PHE HA 0.000 . 6.500 4.940 4.492 5.254 . 0 0 "[ . 1 . 2]" 1
624 1 41 VAL MG1 1 87 PHE HB3 0.000 . 6.500 3.483 3.136 3.929 . 0 0 "[ . 1 . 2]" 1
625 1 41 VAL MG1 1 87 PHE QD 0.000 . 8.500 3.898 3.200 4.379 . 0 0 "[ . 1 . 2]" 1
626 1 41 VAL MG1 1 87 PHE QE 0.000 . 8.500 5.105 4.408 5.644 . 0 0 "[ . 1 . 2]" 1
627 1 41 VAL MG2 1 42 VAL H 0.000 . 6.500 3.896 3.165 4.218 . 0 0 "[ . 1 . 2]" 1
628 1 41 VAL MG2 1 65 LEU MD2 0.000 . 8.000 3.607 2.675 4.720 . 0 0 "[ . 1 . 2]" 1
629 1 41 VAL MG2 1 72 THR HG1 0.000 . 8.000 4.308 2.346 5.228 . 0 0 "[ . 1 . 2]" 1
630 1 41 VAL MG2 1 88 TYR H 0.000 . 6.500 5.121 4.243 5.338 . 0 0 "[ . 1 . 2]" 1
631 1 42 VAL H 1 42 VAL HB 0.000 . 5.000 3.379 2.862 3.856 . 0 0 "[ . 1 . 2]" 1
632 1 42 VAL H 1 42 VAL MG2 0.000 . 6.500 2.424 2.119 2.765 . 0 0 "[ . 1 . 2]" 1
633 1 42 VAL H 1 43 PHE QE 0.000 . 7.001 5.255 4.399 5.868 . 0 0 "[ . 1 . 2]" 1
634 1 42 VAL H 1 87 PHE QD 0.000 . 7.001 4.945 4.665 5.367 . 0 0 "[ . 1 . 2]" 1
635 1 42 VAL H 1 88 TYR H 0.000 . 3.560 2.783 2.476 3.194 . 0 0 "[ . 1 . 2]" 1
636 1 42 VAL H 1 88 TYR QD 0.000 . 7.001 4.524 4.071 4.999 . 0 0 "[ . 1 . 2]" 1
637 1 42 VAL H 1 88 TYR QE 0.000 . 7.001 4.906 4.567 5.356 . 0 0 "[ . 1 . 2]" 1
638 1 42 VAL HA 1 42 VAL MG1 0.000 . 4.050 2.102 1.931 2.281 0.069 1 0 "[ . 1 . 2]" 1
639 1 42 VAL HA 1 42 VAL MG2 0.000 . 4.050 2.819 2.494 3.151 . 0 0 "[ . 1 . 2]" 1
640 1 42 VAL HA 1 43 PHE H 0.000 . 2.850 2.458 2.192 2.592 . 0 0 "[ . 1 . 2]" 1
641 1 42 VAL HA 1 43 PHE QD 0.000 . 7.000 3.073 2.475 3.907 . 0 0 "[ . 1 . 2]" 1
642 1 42 VAL HA 1 43 PHE HZ 0.000 . 5.000 5.036 4.825 5.158 0.158 14 0 "[ . 1 . 2]" 1
643 1 42 VAL HA 1 61 HIS H 0.000 . 5.000 3.911 3.232 4.714 . 0 0 "[ . 1 . 2]" 1
644 1 42 VAL HB 1 42 VAL MG1 0.000 . 3.350 2.124 2.106 2.149 . 0 0 "[ . 1 . 2]" 1
645 1 42 VAL HB 1 42 VAL MG2 0.000 . 3.350 2.144 2.113 2.156 . 0 0 "[ . 1 . 2]" 1
646 1 42 VAL HB 1 43 PHE H 0.000 . 5.000 2.938 2.293 3.768 . 0 0 "[ . 1 . 2]" 1
647 1 42 VAL HB 1 88 TYR QE 0.000 . 7.000 3.454 2.498 4.830 . 0 0 "[ . 1 . 2]" 1
648 1 42 VAL QG 1 43 PHE H 0.000 . 7.900 2.381 1.790 3.263 0.210 7 0 "[ . 1 . 2]" 1
649 1 42 VAL MG2 1 61 HIS H 0.000 . 6.500 4.380 3.390 5.375 . 0 0 "[ . 1 . 2]" 1
650 1 42 VAL MG2 1 62 LYS HA 0.000 . 6.500 4.813 3.669 5.342 . 0 0 "[ . 1 . 2]" 1
651 1 42 VAL MG2 1 90 GLU H 0.000 . 6.500 4.178 3.565 4.721 . 0 0 "[ . 1 . 2]" 1
652 1 42 VAL MG2 1 90 GLU HB2 0.000 . 6.500 4.002 2.852 4.806 . 0 0 "[ . 1 . 2]" 1
653 1 42 VAL MG2 1 90 GLU HB3 0.000 . 6.500 4.956 4.109 5.463 . 0 0 "[ . 1 . 2]" 1
654 1 43 PHE H 1 43 PHE HB2 0.000 . 3.100 2.809 2.700 2.953 . 0 0 "[ . 1 . 2]" 1
655 1 43 PHE H 1 43 PHE HB3 0.000 . 4.000 3.802 3.634 3.925 . 0 0 "[ . 1 . 2]" 1
656 1 43 PHE H 1 43 PHE QD 0.000 . 7.000 2.114 1.852 2.568 0.148 20 0 "[ . 1 . 2]" 1
657 1 43 PHE H 1 43 PHE QE 0.000 . 6.000 4.046 3.775 4.418 . 0 0 "[ . 1 . 2]" 1
658 1 43 PHE H 1 60 SER HA 0.000 . 5.000 4.428 3.661 5.092 0.092 14 0 "[ . 1 . 2]" 1
659 1 43 PHE H 1 60 SER QB 0.000 . 6.000 2.670 1.898 3.631 0.102 6 0 "[ . 1 . 2]" 1
660 1 43 PHE H 1 60 SER HG 0.000 . 4.560 2.886 2.343 3.547 . 0 0 "[ . 1 . 2]" 1
661 1 43 PHE HA 1 43 PHE HB3 0.000 . 3.100 2.371 2.341 2.407 . 0 0 "[ . 1 . 2]" 1
662 1 43 PHE HA 1 43 PHE QD 0.000 . 3.850 3.100 2.778 3.321 . 0 0 "[ . 1 . 2]" 1
663 1 43 PHE HA 1 44 ASP H 0.000 . 2.850 2.200 2.171 2.247 . 0 0 "[ . 1 . 2]" 1
664 1 43 PHE HA 1 87 PHE HA 0.000 . 3.560 2.295 1.858 2.899 0.142 18 0 "[ . 1 . 2]" 1
665 1 43 PHE HA 1 87 PHE HB3 0.000 . 5.000 2.972 2.543 3.476 . 0 0 "[ . 1 . 2]" 1
666 1 43 PHE HA 1 87 PHE QD 0.000 . 7.000 4.173 3.618 4.665 . 0 0 "[ . 1 . 2]" 1
667 1 43 PHE HA 1 88 TYR H 0.000 . 5.001 4.142 3.701 4.651 . 0 0 "[ . 1 . 2]" 1
668 1 43 PHE HA 1 88 TYR QD 0.000 . 7.000 3.971 3.384 4.745 . 0 0 "[ . 1 . 2]" 1
669 1 43 PHE QB 1 59 LEU QB 0.000 . 5.560 3.733 3.390 4.119 . 0 0 "[ . 1 . 2]" 1
670 1 43 PHE QB 1 59 LEU MD1 0.000 . 7.500 5.440 4.956 5.656 . 0 0 "[ . 1 . 2]" 1
671 1 43 PHE HB2 1 43 PHE QD 0.000 . 3.560 2.477 2.307 2.619 . 0 0 "[ . 1 . 2]" 1
672 1 43 PHE HB2 1 44 ASP H 0.000 . 5.000 4.180 3.882 4.389 . 0 0 "[ . 1 . 2]" 1
673 1 43 PHE HB2 1 60 SER H 0.000 . 5.000 5.054 4.894 5.148 0.148 15 0 "[ . 1 . 2]" 1
674 1 43 PHE HB2 1 76 PHE QE 0.000 . 7.000 6.233 5.782 6.579 . 0 0 "[ . 1 . 2]" 1
675 1 43 PHE HB3 1 43 PHE QD 0.000 . 3.560 2.368 2.300 2.498 . 0 0 "[ . 1 . 2]" 1
676 1 43 PHE HB3 1 44 ASP H 0.000 . 5.000 3.627 3.267 4.010 . 0 0 "[ . 1 . 2]" 1
677 1 43 PHE HB3 1 60 SER HG 0.000 . 6.000 5.639 4.969 6.040 0.040 5 0 "[ . 1 . 2]" 1
678 1 43 PHE QD 1 55 LEU MD1 0.000 . 8.500 4.446 3.576 5.487 . 0 0 "[ . 1 . 2]" 1
679 1 43 PHE QD 1 55 LEU HG 0.000 . 7.000 6.144 5.336 6.546 . 0 0 "[ . 1 . 2]" 1
680 1 43 PHE QD 1 59 LEU HB2 . . 7.000 4.187 3.600 4.725 . 0 0 "[ . 1 . 2]" 1
681 1 43 PHE QD 1 59 LEU MD1 0.000 . 8.500 4.686 3.893 4.999 . 0 0 "[ . 1 . 2]" 1
682 1 43 PHE QD 1 59 LEU MD2 0.000 . 8.500 2.968 2.548 4.554 . 0 0 "[ . 1 . 2]" 1
683 1 43 PHE QD 1 60 SER HA 0.000 . 5.560 3.490 2.739 4.667 . 0 0 "[ . 1 . 2]" 1
684 1 43 PHE QD 1 60 SER QB 0.000 . 8.000 2.681 1.863 3.527 0.137 2 0 "[ . 1 . 2]" 1
685 1 43 PHE QD 1 60 SER HG 0.000 . 8.000 2.597 1.844 3.678 0.156 4 0 "[ . 1 . 2]" 1
686 1 43 PHE QD 1 61 HIS H 0.000 . 7.000 5.464 4.801 6.200 . 0 0 "[ . 1 . 2]" 1
687 1 43 PHE QD 1 76 PHE QD 0.000 . 9.000 6.047 5.640 6.406 . 0 0 "[ . 1 . 2]" 1
688 1 43 PHE QD 1 76 PHE QE 0.000 . 9.000 4.208 3.803 4.771 . 0 0 "[ . 1 . 2]" 1
689 1 43 PHE QD 1 85 TYR HA 0.000 . 7.000 5.150 4.304 5.901 . 0 0 "[ . 1 . 2]" 1
690 1 43 PHE QD 1 85 TYR HB3 0.000 . 5.560 3.086 2.321 3.836 . 0 0 "[ . 1 . 2]" 1
691 1 43 PHE QD 1 87 PHE HA 0.000 . 7.000 4.033 3.131 4.712 . 0 0 "[ . 1 . 2]" 1
692 1 43 PHE QD 1 87 PHE HB2 0.000 . 7.000 4.468 3.711 4.976 . 0 0 "[ . 1 . 2]" 1
693 1 43 PHE QD 1 87 PHE HB3 0.000 . 7.000 2.854 1.973 3.462 0.027 15 0 "[ . 1 . 2]" 1
694 1 43 PHE QE 1 59 LEU HB2 0.000 . 7.000 4.004 3.303 4.389 . 0 0 "[ . 1 . 2]" 1
695 1 43 PHE QE 1 76 PHE QE 0.000 . 9.000 3.195 2.840 3.438 . 0 0 "[ . 1 . 2]" 1
696 1 43 PHE QE 1 85 TYR HB3 0.000 . 7.000 4.697 3.885 5.235 . 0 0 "[ . 1 . 2]" 1
697 1 43 PHE QE 1 87 PHE QD 0.000 . 7.560 2.991 2.366 3.665 . 0 0 "[ . 1 . 2]" 1
698 1 43 PHE QE 1 101 ILE MG 0.000 . 8.500 5.083 4.527 5.614 . 0 0 "[ . 1 . 2]" 1
699 1 43 PHE HZ 1 59 LEU HB2 0.000 . 5.000 5.112 5.025 5.209 0.209 15 0 "[ . 1 . 2]" 1
700 1 43 PHE HZ 1 59 LEU MD1 0.000 . 6.500 3.662 1.894 4.198 0.106 10 0 "[ . 1 . 2]" 1
701 1 43 PHE HZ 1 59 LEU MD2 0.000 . 6.500 3.040 2.483 4.289 . 0 0 "[ . 1 . 2]" 1
702 1 43 PHE HZ 1 101 ILE MD 0.000 . 6.500 4.992 4.618 5.271 . 0 0 "[ . 1 . 2]" 1
703 1 44 ASP H 1 44 ASP HB2 0.000 . 3.400 2.299 2.194 2.496 . 0 0 "[ . 1 . 2]" 1
704 1 44 ASP H 1 44 ASP HB3 0.000 . 3.100 2.873 2.637 3.013 . 0 0 "[ . 1 . 2]" 1
705 1 44 ASP H 1 87 PHE HA 0.000 . 3.560 3.105 2.624 3.475 . 0 0 "[ . 1 . 2]" 1
706 1 44 ASP H 1 88 TYR H 0.000 . 5.000 4.734 4.135 5.018 0.018 12 0 "[ . 1 . 2]" 1
707 1 44 ASP H 1 88 TYR QE 0.000 . 7.000 3.139 2.331 3.773 . 0 0 "[ . 1 . 2]" 1
708 1 44 ASP HA 1 44 ASP HB3 0.000 . 3.100 3.012 2.986 3.035 . 0 0 "[ . 1 . 2]" 1
709 1 44 ASP HA 1 45 ALA H 0.000 . 2.850 2.314 2.185 2.769 . 0 0 "[ . 1 . 2]" 1
710 1 44 ASP HA 1 88 TYR QD 0.000 . 7.000 4.840 4.031 5.506 . 0 0 "[ . 1 . 2]" 1
711 1 44 ASP HA 1 88 TYR QE 0.000 . 5.560 3.156 2.476 3.751 . 0 0 "[ . 1 . 2]" 1
712 1 44 ASP HB2 1 45 ALA H 0.000 . 5.000 4.202 3.645 4.527 . 0 0 "[ . 1 . 2]" 1
713 1 44 ASP HB2 1 86 THR HG1 0.000 . 6.500 3.989 2.704 4.890 . 0 0 "[ . 1 . 2]" 1
714 1 44 ASP HB3 1 47 LEU H 0.000 . 3.560 3.005 2.398 3.564 0.004 8 0 "[ . 1 . 2]" 1
715 1 44 ASP HB3 1 86 THR HG1 0.000 . 6.500 4.260 3.286 5.186 . 0 0 "[ . 1 . 2]" 1
716 1 44 ASP HB3 1 88 TYR QE 0.000 . 7.000 4.746 3.866 5.327 . 0 0 "[ . 1 . 2]" 1
717 1 45 ALA H 1 45 ALA HA 0.000 . 2.850 2.942 2.919 2.974 0.124 13 0 "[ . 1 . 2]" 1
718 1 45 ALA H 1 45 ALA MB 0.000 . 3.950 2.279 2.085 2.600 . 0 0 "[ . 1 . 2]" 1
719 1 45 ALA HA 1 45 ALA MB 0.000 . 3.950 2.129 2.106 2.150 . 0 0 "[ . 1 . 2]" 1
720 1 45 ALA HA 1 46 ALA H 0.000 . 5.000 3.180 2.778 3.430 . 0 0 "[ . 1 . 2]" 1
721 1 45 ALA HA 1 48 ASN QD 0.000 . 6.000 3.055 1.836 3.809 0.164 17 0 "[ . 1 . 2]" 1
722 1 45 ALA HA 1 53 ALA HA 0.000 . 5.000 4.375 3.130 5.025 0.025 1 0 "[ . 1 . 2]" 1
723 1 45 ALA MB 1 47 LEU QD 0.000 . 9.400 5.471 4.483 5.770 . 0 0 "[ . 1 . 2]" 1
724 1 45 ALA MB 1 53 ALA HA 0.000 . 5.060 3.418 2.682 3.968 . 0 0 "[ . 1 . 2]" 1
725 1 46 ALA H 1 46 ALA MB 0.000 . 4.050 2.417 2.252 2.626 . 0 0 "[ . 1 . 2]" 1
726 1 46 ALA H 1 47 LEU H 0.000 . 2.850 2.127 1.819 2.443 0.181 6 0 "[ . 1 . 2]" 1
727 1 46 ALA HA 1 46 ALA MB 0.000 . 3.550 2.133 2.109 2.150 . 0 0 "[ . 1 . 2]" 1
728 1 46 ALA HA 1 47 LEU H 0.000 . 5.000 3.308 3.046 3.554 . 0 0 "[ . 1 . 2]" 1
729 1 46 ALA MB 1 47 LEU H 0.000 . 4.350 3.197 2.540 3.570 . 0 0 "[ . 1 . 2]" 1
730 1 46 ALA MB 1 47 LEU HA 0.000 . 6.500 4.067 3.883 4.250 . 0 0 "[ . 1 . 2]" 1
731 1 47 LEU H 1 47 LEU QB 0.000 . 3.450 2.519 2.184 3.183 . 0 0 "[ . 1 . 2]" 1
732 1 47 LEU H 1 47 LEU QD 0.000 . 7.810 2.857 2.025 3.539 . 0 0 "[ . 1 . 2]" 1
733 1 47 LEU H 1 48 ASN H 0.000 . 5.000 3.107 2.670 3.783 . 0 0 "[ . 1 . 2]" 1
734 1 47 LEU HA 1 47 LEU QB 0.000 . 5.000 2.421 2.183 2.533 . 0 0 "[ . 1 . 2]" 1
735 1 47 LEU HA 1 47 LEU QD 0.000 . 7.200 2.499 1.765 3.338 0.235 18 0 "[ . 1 . 2]" 1
736 1 47 LEU HA 1 48 ASN H 0.000 . 2.850 2.698 2.421 2.891 0.041 4 0 "[ . 1 . 2]" 1
737 1 47 LEU QB 1 47 LEU QD 0.000 . 7.020 1.858 1.724 2.051 0.276 16 0 "[ . 1 . 2]" 1
738 1 47 LEU QB 1 48 ASN H 0.000 . 5.800 3.899 3.813 4.017 . 0 0 "[ . 1 . 2]" 1
739 1 47 LEU QB 1 86 THR HA 0.000 . 6.000 5.081 4.444 5.363 . 0 0 "[ . 1 . 2]" 1
740 1 47 LEU QB 1 86 THR HB 0.000 . 4.560 2.714 1.961 3.643 0.039 13 0 "[ . 1 . 2]" 1
741 1 47 LEU QD 1 86 THR HA 0.000 . 7.900 4.752 3.698 5.659 . 0 0 "[ . 1 . 2]" 1
742 1 47 LEU QD 1 86 THR HG1 0.000 . 9.400 2.440 1.750 3.323 0.250 1 0 "[ . 1 . 2]" 1
743 1 48 ASN H 1 48 ASN HB2 0.000 . 4.000 3.653 3.559 3.810 . 0 0 "[ . 1 . 2]" 1
744 1 48 ASN H 1 48 ASN HB3 0.000 . 3.400 3.344 3.076 3.438 0.038 1 0 "[ . 1 . 2]" 1
745 1 48 ASN H 1 48 ASN QD 0.000 . 6.000 3.343 1.949 3.830 0.051 4 0 "[ . 1 . 2]" 1
746 1 48 ASN H 1 51 LYS H 0.000 . 5.000 4.413 4.030 5.026 0.026 10 0 "[ . 1 . 2]" 1
747 1 48 ASN H 1 51 LYS HA 0.000 . 5.000 3.997 3.521 4.397 . 0 0 "[ . 1 . 2]" 1
748 1 48 ASN H 1 51 LYS QB 0.000 . 6.000 5.131 4.243 5.407 . 0 0 "[ . 1 . 2]" 1
749 1 48 ASN HA 1 48 ASN HB2 0.000 . 3.100 2.629 2.467 2.679 . 0 0 "[ . 1 . 2]" 1
750 1 48 ASN HA 1 48 ASN HB3 0.000 . 3.100 2.340 2.307 2.473 . 0 0 "[ . 1 . 2]" 1
751 1 48 ASN HA 1 49 PRO QB 0.000 . 6.000 4.569 4.538 4.611 . 0 0 "[ . 1 . 2]" 1
752 1 48 ASN HA 1 49 PRO QD 0.000 . 3.850 1.954 1.870 2.023 0.130 9 0 "[ . 1 . 2]" 1
753 1 48 ASN HB2 1 48 ASN QD 0.000 . 5.000 2.939 2.687 3.399 . 0 0 "[ . 1 . 2]" 1
754 1 48 ASN HB2 1 49 PRO QD 0.000 . 4.560 1.955 1.817 2.292 0.183 14 0 "[ . 1 . 2]" 1
755 1 48 ASN HB3 1 48 ASN QD 0.000 . 5.000 2.378 2.237 2.541 . 0 0 "[ . 1 . 2]" 1
756 1 48 ASN QD 1 50 ALA MB 0.000 . 7.500 5.095 4.258 5.437 . 0 0 "[ . 1 . 2]" 1
757 1 48 ASN QD 1 52 SER H 0.000 . 4.560 2.495 1.973 3.325 0.027 14 0 "[ . 1 . 2]" 1
758 1 49 PRO HA 1 49 PRO HB3 0.000 . 3.100 2.304 2.298 2.312 . 0 0 "[ . 1 . 2]" 1
759 1 49 PRO QB 1 83 GLY H 0.000 . 6.000 4.874 4.273 5.439 . 0 0 "[ . 1 . 2]" 1
760 1 49 PRO QB 1 83 GLY QA 0.000 . 7.000 2.788 1.839 5.324 0.161 9 0 "[ . 1 . 2]" 1
761 1 49 PRO QB 1 84 GLU H 0.000 . 6.000 3.823 2.018 5.381 . 0 0 "[ . 1 . 2]" 1
762 1 49 PRO QD 1 85 TYR HH 0.000 . 6.001 4.712 3.871 5.391 . 0 0 "[ . 1 . 2]" 1
763 1 50 ALA H 1 50 ALA MB 0.000 . 6.200 2.476 2.276 2.649 . 0 0 "[ . 1 . 2]" 1
764 1 50 ALA H 1 51 LYS H 0.000 . 3.560 2.665 2.211 3.519 . 0 0 "[ . 1 . 2]" 1
765 1 50 ALA H 1 52 SER H 0.000 . 5.000 3.855 3.118 4.905 . 0 0 "[ . 1 . 2]" 1
766 1 50 ALA HA 1 50 ALA MB 0.000 . 3.550 2.131 2.109 2.152 . 0 0 "[ . 1 . 2]" 1
767 1 50 ALA HA 1 51 LYS H 0.000 . 2.850 2.840 2.356 2.994 0.144 11 0 "[ . 1 . 2]" 1
768 1 50 ALA MB 1 51 LYS H 0.000 . 6.500 3.617 3.556 3.716 . 0 0 "[ . 1 . 2]" 1
769 1 50 ALA MB 1 52 SER HA 0.000 . 6.500 4.756 4.393 5.167 . 0 0 "[ . 1 . 2]" 1
770 1 51 LYS H 1 51 LYS HA 0.000 . 2.850 2.451 2.368 2.742 . 0 0 "[ . 1 . 2]" 1
771 1 51 LYS H 1 51 LYS QB 0.000 . 5.600 2.898 2.130 3.357 . 0 0 "[ . 1 . 2]" 1
772 1 51 LYS H 1 51 LYS QD 0.000 . 6.000 4.060 1.875 5.281 0.125 1 0 "[ . 1 . 2]" 1
773 1 51 LYS H 1 51 LYS QG 0.000 . 6.000 2.933 2.016 4.421 . 0 0 "[ . 1 . 2]" 1
774 1 51 LYS H 1 52 SER H 0.000 . 5.000 3.418 2.945 4.240 . 0 0 "[ . 1 . 2]" 1
775 1 51 LYS HA 1 51 LYS QB 0.000 . 3.560 2.255 2.173 2.509 . 0 0 "[ . 1 . 2]" 1
776 1 51 LYS HA 1 51 LYS QE 0.000 . 6.000 4.481 3.463 5.389 . 0 0 "[ . 1 . 2]" 1
777 1 51 LYS HA 1 52 SER H 0.000 . 3.560 2.630 2.261 2.957 . 0 0 "[ . 1 . 2]" 1
778 1 52 SER H 1 52 SER HB2 0.000 . 3.100 2.614 2.299 2.979 . 0 0 "[ . 1 . 2]" 1
779 1 52 SER H 1 52 SER HB3 0.000 . 4.000 3.740 3.559 3.935 . 0 0 "[ . 1 . 2]" 1
780 1 52 SER HA 1 52 SER HB3 0.000 . 3.100 2.513 2.350 2.674 . 0 0 "[ . 1 . 2]" 1
781 1 52 SER HA 1 53 ALA H 0.000 . 2.850 2.448 2.191 2.875 0.025 9 0 "[ . 1 . 2]" 1
782 1 52 SER HB2 1 55 LEU MD2 0.000 . 6.500 3.398 1.879 4.087 0.121 17 0 "[ . 1 . 2]" 1
783 1 52 SER HB3 1 55 LEU MD2 0.000 . 6.500 4.061 1.943 5.227 0.057 4 0 "[ . 1 . 2]" 1
784 1 53 ALA H 1 53 ALA MB 0.000 . 4.760 2.511 2.066 2.944 . 0 0 "[ . 1 . 2]" 1
785 1 53 ALA HA 1 53 ALA MB 0.000 . 3.550 2.127 2.108 2.151 . 0 0 "[ . 1 . 2]" 1
786 1 53 ALA HA 1 54 ASP H 0.000 . 5.000 2.967 2.262 3.578 . 0 0 "[ . 1 . 2]" 1
787 1 53 ALA HA 1 56 ALA H 0.000 . 5.001 3.813 2.876 4.911 . 0 0 "[ . 1 . 2]" 1
788 1 53 ALA HA 1 56 ALA MB 0.000 . 6.501 3.208 2.219 4.767 . 0 0 "[ . 1 . 2]" 1
789 1 53 ALA HA 1 57 LYS H 0.000 . 5.001 4.464 3.409 5.011 0.010 18 0 "[ . 1 . 2]" 1
790 1 54 ASP H 1 54 ASP HA 0.000 . 2.850 2.915 2.781 2.975 0.125 13 0 "[ . 1 . 2]" 1
791 1 54 ASP H 1 54 ASP QB 0.000 . 4.160 2.560 2.106 3.247 . 0 0 "[ . 1 . 2]" 1
792 1 54 ASP H 1 55 LEU H 0.000 . 3.560 2.377 1.918 2.843 0.082 6 0 "[ . 1 . 2]" 1
793 1 54 ASP HA 1 54 ASP QB 0.000 . 3.560 2.381 2.192 2.536 . 0 0 "[ . 1 . 2]" 1
794 1 54 ASP HA 1 55 LEU H 0.000 . 5.000 3.516 3.046 3.588 . 0 0 "[ . 1 . 2]" 1
795 1 54 ASP HA 1 57 LYS H 0.000 . 5.000 3.590 2.913 4.389 . 0 0 "[ . 1 . 2]" 1
796 1 54 ASP HA 1 58 SER H 0.000 . 5.001 4.764 3.523 5.045 0.044 5 0 "[ . 1 . 2]" 1
797 1 54 ASP QB 1 55 LEU H 0.000 . 5.800 2.795 1.877 3.711 0.123 13 0 "[ . 1 . 2]" 1
798 1 55 LEU H 1 55 LEU QB 0.000 . 3.450 2.388 2.235 2.588 . 0 0 "[ . 1 . 2]" 1
799 1 55 LEU H 1 55 LEU QD 0.000 . 7.810 2.978 2.473 3.741 . 0 0 "[ . 1 . 2]" 1
800 1 55 LEU H 1 55 LEU HG 0.000 . 5.000 2.862 2.357 4.749 . 0 0 "[ . 1 . 2]" 1
801 1 55 LEU H 1 56 ALA H 0.000 . 5.000 2.632 2.057 3.448 . 0 0 "[ . 1 . 2]" 1
802 1 55 LEU H 1 57 LYS H 0.000 . 5.000 4.250 3.498 4.763 . 0 0 "[ . 1 . 2]" 1
803 1 55 LEU HA 1 55 LEU QB 0.000 . 2.850 2.224 2.182 2.546 . 0 0 "[ . 1 . 2]" 1
804 1 55 LEU HA 1 55 LEU MD2 0.000 . 6.500 3.932 2.040 4.116 . 0 0 "[ . 1 . 2]" 1
805 1 55 LEU HA 1 55 LEU HG 0.000 . 5.000 3.512 3.009 3.617 . 0 0 "[ . 1 . 2]" 1
806 1 55 LEU HA 1 56 ALA H 0.000 . 5.000 3.388 2.661 3.589 . 0 0 "[ . 1 . 2]" 1
807 1 55 LEU HA 1 59 LEU MD2 0.000 . 6.500 4.928 3.553 5.301 . 0 0 "[ . 1 . 2]" 1
808 1 55 LEU QB 1 55 LEU MD1 0.000 . 4.870 2.046 1.871 2.341 0.129 13 0 "[ . 1 . 2]" 1
809 1 55 LEU QB 1 56 ALA H 0.000 . 5.800 3.582 2.285 4.022 . 0 0 "[ . 1 . 2]" 1
810 1 55 LEU MD1 1 55 LEU HG 0.000 . 3.350 2.124 2.109 2.149 . 0 0 "[ . 1 . 2]" 1
811 1 55 LEU MD1 1 56 ALA H 0.000 . 6.500 3.412 2.691 4.378 . 0 0 "[ . 1 . 2]" 1
812 1 55 LEU MD1 1 59 LEU HA 0.000 . 6.500 5.075 4.541 5.330 . 0 0 "[ . 1 . 2]" 1
813 1 55 LEU MD1 1 59 LEU HB2 0.000 . 6.500 3.031 2.476 3.415 . 0 0 "[ . 1 . 2]" 1
814 1 55 LEU MD1 1 59 LEU MD1 0.000 . 6.560 3.244 2.429 4.339 . 0 0 "[ . 1 . 2]" 1
815 1 55 LEU MD1 1 59 LEU MD2 0.000 . 8.000 2.222 1.967 2.470 0.033 18 0 "[ . 1 . 2]" 1
816 1 55 LEU MD1 1 76 PHE QD 0.000 . 8.500 3.855 3.122 4.990 . 0 0 "[ . 1 . 2]" 1
817 1 55 LEU MD1 1 76 PHE HZ 0.000 . 6.500 5.157 4.666 5.465 . 0 0 "[ . 1 . 2]" 1
818 1 55 LEU MD1 1 85 TYR HH 0.000 . 6.500 5.000 4.483 5.284 . 0 0 "[ . 1 . 2]" 1
819 1 55 LEU MD2 1 55 LEU HG 0.000 . 3.350 2.131 2.111 2.152 . 0 0 "[ . 1 . 2]" 1
820 1 55 LEU MD2 1 56 ALA H 0.000 . 6.500 3.917 3.397 5.472 . 0 0 "[ . 1 . 2]" 1
821 1 55 LEU MD2 1 59 LEU MD2 0.000 . 6.560 4.268 3.123 4.498 . 0 0 "[ . 1 . 2]" 1
822 1 55 LEU MD2 1 81 PRO QD 0.000 . 7.500 2.805 1.818 3.441 0.182 11 0 "[ . 1 . 2]" 1
823 1 55 LEU MD2 1 85 TYR QE 0.000 . 8.500 3.057 1.744 4.734 0.256 20 0 "[ . 1 . 2]" 1
824 1 55 LEU MD2 1 85 TYR HH 0.000 . 6.500 4.556 3.522 5.132 . 0 0 "[ . 1 . 2]" 1
825 1 56 ALA H 1 56 ALA MB 0.000 . 4.050 2.260 2.048 2.982 . 0 0 "[ . 1 . 2]" 1
826 1 56 ALA H 1 57 LYS H 0.000 . 5.000 2.442 1.996 2.844 0.004 5 0 "[ . 1 . 2]" 1
827 1 56 ALA HA 1 56 ALA MB 0.000 . 5.700 2.126 2.107 2.151 . 0 0 "[ . 1 . 2]" 1
828 1 56 ALA HA 1 57 LYS H 0.000 . 5.000 3.544 3.364 3.587 . 0 0 "[ . 1 . 2]" 1
829 1 56 ALA HA 1 59 LEU H 0.000 . 5.000 3.275 2.760 3.816 . 0 0 "[ . 1 . 2]" 1
830 1 56 ALA HA 1 59 LEU HB3 0.000 . 5.000 2.379 1.856 2.812 0.144 20 0 "[ . 1 . 2]" 1
831 1 56 ALA HA 1 59 LEU MD2 . . 5.060 3.039 2.506 3.832 . 0 0 "[ . 1 . 2]" 1
832 1 56 ALA MB 1 57 LYS H 0.000 . 5.060 2.614 2.264 3.214 . 0 0 "[ . 1 . 2]" 1
833 1 56 ALA MB 1 59 LEU HB2 0.000 . 5.060 4.099 3.773 4.279 . 0 0 "[ . 1 . 2]" 1
834 1 57 LYS H 1 57 LYS QB 0.000 . 4.160 2.242 2.074 2.630 . 0 0 "[ . 1 . 2]" 1
835 1 57 LYS H 1 57 LYS QG 0.000 . 6.000 3.369 1.861 4.013 0.139 15 0 "[ . 1 . 2]" 1
836 1 57 LYS H 1 58 SER H 0.000 . 5.000 2.836 2.552 3.172 . 0 0 "[ . 1 . 2]" 1
837 1 57 LYS HA 1 57 LYS QB 0.000 . 5.000 2.447 2.195 2.546 . 0 0 "[ . 1 . 2]" 1
838 1 57 LYS HA 1 57 LYS QE 0.000 . 6.000 3.807 2.145 4.791 . 0 0 "[ . 1 . 2]" 1
839 1 57 LYS HA 1 58 SER H 0.000 . 3.561 3.536 3.472 3.584 0.023 20 0 "[ . 1 . 2]" 1
840 1 57 LYS HA 1 60 SER H 0.000 . 5.001 4.443 3.777 4.918 . 0 0 "[ . 1 . 2]" 1
841 1 57 LYS QB 1 58 SER H 0.000 . 5.800 2.707 2.239 3.470 . 0 0 "[ . 1 . 2]" 1
842 1 58 SER H 1 58 SER QB 0.000 . 3.450 2.505 2.216 3.017 . 0 0 "[ . 1 . 2]" 1
843 1 58 SER H 1 59 LEU H 0.000 . 5.000 2.520 1.886 3.276 0.114 18 0 "[ . 1 . 2]" 1
844 1 58 SER HA 1 58 SER QB 0.000 . 2.850 2.346 2.166 2.544 . 0 0 "[ . 1 . 2]" 1
845 1 58 SER HA 1 59 LEU H 0.000 . 5.000 3.171 2.729 3.559 . 0 0 "[ . 1 . 2]" 1
846 1 59 LEU H 1 59 LEU HB2 0.000 . 3.400 2.612 2.189 2.912 . 0 0 "[ . 1 . 2]" 1
847 1 59 LEU H 1 59 LEU HB3 0.000 . 3.100 2.926 2.722 3.046 . 0 0 "[ . 1 . 2]" 1
848 1 59 LEU H 1 59 LEU MD1 0.000 . 6.500 3.896 3.450 4.152 . 0 0 "[ . 1 . 2]" 1
849 1 59 LEU H 1 59 LEU MD2 0.000 . 6.500 4.383 3.810 4.654 . 0 0 "[ . 1 . 2]" 1
850 1 59 LEU H 1 59 LEU HG 0.000 . 5.000 4.631 4.485 4.866 . 0 0 "[ . 1 . 2]" 1
851 1 59 LEU HA 1 59 LEU HB2 0.000 . 3.100 2.655 2.539 2.701 . 0 0 "[ . 1 . 2]" 1
852 1 59 LEU HA 1 59 LEU MD1 0.000 . 5.060 1.915 1.797 2.129 0.203 4 0 "[ . 1 . 2]" 1
853 1 59 LEU HA 1 59 LEU MD2 0.000 . 5.060 3.620 2.450 3.771 . 0 0 "[ . 1 . 2]" 1
854 1 59 LEU HB2 1 59 LEU MD1 0.000 . 4.820 2.373 2.220 3.157 . 0 0 "[ . 1 . 2]" 1
855 1 59 LEU HB2 1 59 LEU MD2 0.000 . 4.820 2.354 2.080 2.565 . 0 0 "[ . 1 . 2]" 1
856 1 59 LEU HB2 1 60 SER H 0.000 . 5.000 3.491 3.280 3.652 . 0 0 "[ . 1 . 2]" 1
857 1 59 LEU HB3 1 59 LEU MD1 0.000 . 4.110 3.136 2.683 3.200 . 0 0 "[ . 1 . 2]" 1
858 1 59 LEU HB3 1 59 LEU MD2 0.000 . 4.110 2.351 2.123 3.121 . 0 0 "[ . 1 . 2]" 1
859 1 59 LEU MD1 1 59 LEU HG 0.000 . 4.060 2.136 2.110 2.152 . 0 0 "[ . 1 . 2]" 1
860 1 59 LEU MD1 1 60 SER H 0.000 . 6.500 4.487 3.854 4.655 . 0 0 "[ . 1 . 2]" 1
861 1 59 LEU MD1 1 74 THR HA 0.000 . 6.500 4.293 3.902 4.846 . 0 0 "[ . 1 . 2]" 1
862 1 59 LEU MD1 1 75 THR HA 0.000 . 6.500 5.089 4.826 5.291 . 0 0 "[ . 1 . 2]" 1
863 1 59 LEU MD1 1 76 PHE HA 0.000 . 6.500 2.221 1.814 3.515 0.186 18 0 "[ . 1 . 2]" 1
864 1 59 LEU MD1 1 76 PHE QB 0.000 . 6.060 3.602 3.134 4.467 . 0 0 "[ . 1 . 2]" 1
865 1 59 LEU MD1 1 76 PHE QD 0.000 . 7.060 2.924 2.157 3.540 . 0 0 "[ . 1 . 2]" 1
866 1 59 LEU MD1 1 76 PHE QE 0.000 . 8.500 3.216 2.513 3.971 . 0 0 "[ . 1 . 2]" 1
867 1 59 LEU MD1 1 76 PHE HZ 0.000 . 6.500 3.915 2.793 4.703 . 0 0 "[ . 1 . 2]" 1
868 1 59 LEU MD1 1 77 PRO QD 0.000 . 7.500 2.325 1.743 4.028 0.257 15 0 "[ . 1 . 2]" 1
869 1 59 LEU MD2 1 59 LEU HG 0.000 . 4.060 2.126 2.112 2.148 . 0 0 "[ . 1 . 2]" 1
870 1 59 LEU MD2 1 76 PHE QD 0.000 . 8.500 3.066 2.278 3.730 . 0 0 "[ . 1 . 2]" 1
871 1 59 LEU MD2 1 76 PHE QE 0.000 . 8.500 2.425 2.012 2.941 . 0 0 "[ . 1 . 2]" 1
872 1 59 LEU MD2 1 76 PHE HZ 0.000 . 6.500 2.524 1.886 3.579 0.114 8 0 "[ . 1 . 2]" 1
873 1 59 LEU MD2 1 77 PRO QD 0.000 . 7.500 3.247 2.214 4.146 . 0 0 "[ . 1 . 2]" 1
874 1 60 SER H 1 60 SER QB 0.000 . 5.600 2.744 2.091 2.962 . 0 0 "[ . 1 . 2]" 1
875 1 60 SER H 1 60 SER HG 0.000 . 6.000 2.533 2.066 3.538 . 0 0 "[ . 1 . 2]" 1
876 1 60 SER H 1 61 HIS H 0.000 . 5.000 4.589 4.451 4.655 . 0 0 "[ . 1 . 2]" 1
877 1 60 SER HA 1 60 SER QB 0.000 . 5.000 2.232 2.163 2.533 . 0 0 "[ . 1 . 2]" 1
878 1 60 SER HA 1 60 SER HG 0.000 . 5.600 3.498 2.232 3.916 . 0 0 "[ . 1 . 2]" 1
879 1 60 SER HA 1 61 HIS H 0.000 . 2.850 2.329 2.185 2.725 . 0 0 "[ . 1 . 2]" 1
880 1 60 SER HA 1 61 HIS HD2 0.000 . 5.000 4.429 3.613 5.011 0.011 17 0 "[ . 1 . 2]" 1
881 1 60 SER QB 1 60 SER HG 0.000 . 5.000 2.052 2.013 2.229 . 0 0 "[ . 1 . 2]" 1
882 1 60 SER QB 1 61 HIS H 0.000 . 5.800 2.808 1.998 3.368 0.002 14 0 "[ . 1 . 2]" 1
883 1 60 SER QB 1 61 HIS HA 0.000 . 6.000 4.288 4.016 4.582 . 0 0 "[ . 1 . 2]" 1
884 1 61 HIS H 1 61 HIS HB2 0.000 . 4.000 3.728 3.582 3.849 . 0 0 "[ . 1 . 2]" 1
885 1 61 HIS H 1 61 HIS HB3 0.000 . 3.400 2.862 2.597 3.401 0.001 7 0 "[ . 1 . 2]" 1
886 1 61 HIS H 1 62 LYS H 0.000 . 5.000 4.140 2.156 4.623 . 0 0 "[ . 1 . 2]" 1
887 1 61 HIS HA 1 61 HIS HB2 0.000 . 3.100 2.436 2.328 2.666 . 0 0 "[ . 1 . 2]" 1
888 1 61 HIS HA 1 61 HIS HB3 0.000 . 3.100 2.517 2.316 2.649 . 0 0 "[ . 1 . 2]" 1
889 1 61 HIS HA 1 61 HIS HD2 0.000 . 5.000 4.722 4.438 4.955 . 0 0 "[ . 1 . 2]" 1
890 1 61 HIS HA 1 62 LYS H 0.000 . 3.560 2.610 2.199 3.492 . 0 0 "[ . 1 . 2]" 1
891 1 61 HIS HB2 1 62 LYS H 0.000 . 5.000 2.933 1.944 4.161 0.056 11 0 "[ . 1 . 2]" 1
892 1 61 HIS HD2 1 71 SER QB 0.000 . 6.000 5.029 4.629 5.254 . 0 0 "[ . 1 . 2]" 1
893 1 61 HIS HD2 1 72 THR HG1 0.000 . 6.500 2.586 1.774 3.488 0.226 13 0 "[ . 1 . 2]" 1
894 1 62 LYS H 1 62 LYS QB 0.000 . 4.160 2.602 2.105 3.441 . 0 0 "[ . 1 . 2]" 1
895 1 62 LYS H 1 63 GLN H 0.000 . 5.000 3.286 1.846 4.670 0.154 10 0 "[ . 1 . 2]" 1
896 1 62 LYS HA 1 62 LYS QB 0.000 . 2.850 2.427 2.181 2.547 . 0 0 "[ . 1 . 2]" 1
897 1 62 LYS HA 1 62 LYS QD 0.000 . 6.000 3.388 2.193 4.134 . 0 0 "[ . 1 . 2]" 1
898 1 62 LYS QB 1 63 GLN H 0.000 . 3.650 2.501 1.851 3.352 0.149 17 0 "[ . 1 . 2]" 1
899 1 62 LYS QB 1 63 GLN HA 0.000 . 4.560 3.898 3.671 4.176 . 0 0 "[ . 1 . 2]" 1
900 1 63 GLN H 1 63 GLN QB 0.000 . 3.450 2.654 2.070 3.156 . 0 0 "[ . 1 . 2]" 1
901 1 63 GLN HA 1 63 GLN QB 0.000 . 2.850 2.433 2.193 2.546 . 0 0 "[ . 1 . 2]" 1
902 1 63 GLN HA 1 63 GLN QG 0.000 . 5.600 2.396 2.006 3.320 . 0 0 "[ . 1 . 2]" 1
903 1 63 GLN HA 1 64 LEU H 0.000 . 2.850 2.358 2.189 2.954 0.104 19 0 "[ . 1 . 2]" 1
904 1 63 GLN QB 1 64 LEU H 0.000 . 5.800 3.335 2.125 4.045 . 0 0 "[ . 1 . 2]" 1
905 1 64 LEU H 1 64 LEU HB2 0.000 . 3.100 2.476 2.238 3.284 0.184 19 0 "[ . 1 . 2]" 1
906 1 64 LEU H 1 64 LEU HB3 0.000 . 4.000 3.651 3.549 4.023 0.023 19 0 "[ . 1 . 2]" 1
907 1 64 LEU H 1 64 LEU MD1 0.000 . 6.500 2.409 1.792 4.362 0.208 9 0 "[ . 1 . 2]" 1
908 1 64 LEU H 1 64 LEU MD2 0.000 . 6.500 3.738 1.785 4.559 0.215 7 0 "[ . 1 . 2]" 1
909 1 64 LEU H 1 64 LEU HG 0.000 . 3.560 3.313 2.369 3.656 0.096 7 0 "[ . 1 . 2]" 1
910 1 64 LEU HA 1 64 LEU HB3 0.000 . 3.100 2.545 2.402 2.674 . 0 0 "[ . 1 . 2]" 1
911 1 64 LEU HA 1 64 LEU MD1 0.000 . 4.050 3.145 1.847 3.548 0.153 7 0 "[ . 1 . 2]" 1
912 1 64 LEU HA 1 64 LEU MD2 0.000 . 6.200 3.206 1.785 3.648 0.215 19 0 "[ . 1 . 2]" 1
913 1 64 LEU HA 1 64 LEU HG 0.000 . 5.000 2.465 2.038 3.584 . 0 0 "[ . 1 . 2]" 1
914 1 64 LEU HA 1 65 LEU H 0.000 . 3.560 2.405 2.191 2.623 . 0 0 "[ . 1 . 2]" 1
915 1 64 LEU HB2 1 64 LEU MD2 0.000 . 6.500 2.683 1.990 3.176 0.010 7 0 "[ . 1 . 2]" 1
916 1 64 LEU HB3 1 64 LEU MD1 0.000 . 4.350 2.925 2.048 3.179 . 0 0 "[ . 1 . 2]" 1
917 1 64 LEU MD1 1 64 LEU HG 0.000 . 3.350 2.127 2.104 2.149 . 0 0 "[ . 1 . 2]" 1
918 1 65 LEU H 1 65 LEU QB 0.000 . 3.450 2.447 2.118 3.096 . 0 0 "[ . 1 . 2]" 1
919 1 65 LEU H 1 65 LEU MD1 0.000 . 6.501 2.696 1.857 3.688 0.143 5 0 "[ . 1 . 2]" 1
920 1 65 LEU H 1 65 LEU MD2 0.000 . 6.501 3.591 2.222 4.184 . 0 0 "[ . 1 . 2]" 1
921 1 65 LEU HA 1 65 LEU QB 0.000 . 5.000 2.396 2.172 2.538 . 0 0 "[ . 1 . 2]" 1
922 1 65 LEU HA 1 65 LEU MD1 0.000 . 5.060 2.904 2.021 4.063 . 0 0 "[ . 1 . 2]" 1
923 1 65 LEU HA 1 65 LEU MD2 0.000 . 6.500 3.324 2.258 3.805 . 0 0 "[ . 1 . 2]" 1
924 1 65 LEU HA 1 66 MET H 0.000 . 2.850 2.317 2.193 2.673 . 0 0 "[ . 1 . 2]" 1
925 1 65 LEU QB 1 66 MET H 0.000 . 5.800 3.297 2.013 3.881 . 0 0 "[ . 1 . 2]" 1
926 1 65 LEU MD1 1 71 SER HA 0.000 . 6.500 3.019 1.829 4.023 0.171 11 0 "[ . 1 . 2]" 1
927 1 65 LEU MD1 1 72 THR H 0.000 . 6.500 4.244 2.587 5.252 . 0 0 "[ . 1 . 2]" 1
928 1 65 LEU MD1 1 72 THR HB 0.000 . 6.500 4.690 3.811 5.306 . 0 0 "[ . 1 . 2]" 1
929 1 65 LEU MD2 1 71 SER HA 0.000 . 6.500 2.500 1.841 3.392 0.159 6 0 "[ . 1 . 2]" 1
930 1 66 MET H 1 66 MET QB 0.000 . 4.000 2.475 2.112 2.896 . 0 0 "[ . 1 . 2]" 1
931 1 66 MET H 1 66 MET QG 0.000 . 6.000 3.495 2.274 4.350 . 0 0 "[ . 1 . 2]" 1
932 1 66 MET H 1 67 SER H 0.000 . 3.560 2.141 1.856 2.588 0.144 11 0 "[ . 1 . 2]" 1
933 1 66 MET HA 1 66 MET QB 0.000 . 4.000 2.455 2.194 2.548 . 0 0 "[ . 1 . 2]" 1
934 1 66 MET HA 1 67 SER H 0.000 . 5.000 3.348 3.198 3.586 . 0 0 "[ . 1 . 2]" 1
935 1 66 MET QB 1 67 SER H 0.000 . 3.850 3.264 2.370 3.589 . 0 0 "[ . 1 . 2]" 1
936 1 67 SER H 1 67 SER HB2 0.000 . 3.400 2.755 2.487 3.156 . 0 0 "[ . 1 . 2]" 1
937 1 67 SER H 1 67 SER HB3 0.000 . 3.100 2.592 2.231 2.924 . 0 0 "[ . 1 . 2]" 1
938 1 67 SER HA 1 67 SER HB2 0.000 . 3.100 2.509 2.326 2.676 . 0 0 "[ . 1 . 2]" 1
939 1 67 SER HA 1 68 PRO QD 0.000 . 3.850 1.845 1.819 1.912 0.181 10 0 "[ . 1 . 2]" 1
940 1 67 SER HB2 1 70 GLN QG 0.000 . 6.000 4.167 2.162 5.311 . 0 0 "[ . 1 . 2]" 1
941 1 67 SER HB3 1 70 GLN QG 0.000 . 6.000 3.293 1.739 4.435 0.261 9 0 "[ . 1 . 2]" 1
942 1 68 PRO HA 1 68 PRO HB3 0.000 . 3.100 2.303 2.296 2.307 . 0 0 "[ . 1 . 2]" 1
943 1 68 PRO HA 1 69 GLY H 0.000 . 2.850 2.343 2.203 2.473 . 0 0 "[ . 1 . 2]" 1
944 1 68 PRO HA 1 70 GLN H 0.000 . 5.000 4.150 3.551 4.605 . 0 0 "[ . 1 . 2]" 1
945 1 68 PRO HB2 1 68 PRO QD 0.000 . 5.000 3.562 3.556 3.571 . 0 0 "[ . 1 . 2]" 1
946 1 68 PRO HB3 1 68 PRO QD 0.000 . 5.000 3.190 3.147 3.214 . 0 0 "[ . 1 . 2]" 1
947 1 68 PRO HB3 1 69 GLY H 0.000 . 5.000 4.456 4.145 4.599 . 0 0 "[ . 1 . 2]" 1
948 1 68 PRO QD 1 68 PRO QG 0.000 . 5.000 1.969 1.967 1.972 0.033 6 0 "[ . 1 . 2]" 1
949 1 69 GLY H 1 69 GLY QA 0.000 . 3.560 2.352 2.294 2.427 . 0 0 "[ . 1 . 2]" 1
950 1 69 GLY H 1 70 GLN H 0.000 . 5.000 2.317 1.999 2.699 0.001 15 0 "[ . 1 . 2]" 1
951 1 69 GLY QA 1 70 GLN H 0.000 . 5.500 2.789 2.644 2.934 . 0 0 "[ . 1 . 2]" 1
952 1 70 GLN H 1 70 GLN QB 0.000 . 5.600 2.829 2.111 3.483 . 0 0 "[ . 1 . 2]" 1
953 1 70 GLN H 1 70 GLN QG 0.000 . 6.000 3.565 2.040 4.253 . 0 0 "[ . 1 . 2]" 1
954 1 70 GLN HA 1 70 GLN QB 0.000 . 5.000 2.393 2.193 2.544 . 0 0 "[ . 1 . 2]" 1
955 1 70 GLN HA 1 70 GLN QG 0.000 . 5.600 2.514 1.911 3.326 0.089 2 0 "[ . 1 . 2]" 1
956 1 70 GLN HA 1 71 SER H 0.000 . 2.850 2.245 2.187 2.377 . 0 0 "[ . 1 . 2]" 1
957 1 70 GLN QB 1 71 SER H 0.000 . 5.800 3.741 2.817 3.996 . 0 0 "[ . 1 . 2]" 1
958 1 71 SER HA 1 71 SER QB . . 3.560 2.180 2.144 2.195 . 0 0 "[ . 1 . 2]" 1
959 1 71 SER HA 1 72 THR H 0.000 . 3.560 3.234 2.720 3.569 0.009 3 0 "[ . 1 . 2]" 1
960 1 71 SER HA 1 72 THR HG1 0.000 . 6.500 4.026 3.362 4.612 . 0 0 "[ . 1 . 2]" 1
961 1 71 SER QB 1 72 THR H 0.000 . 4.360 2.305 1.797 2.894 0.203 12 0 "[ . 1 . 2]" 1
962 1 72 THR H 1 72 THR HG1 0.000 . 6.500 2.579 1.918 3.657 0.082 12 0 "[ . 1 . 2]" 1
963 1 72 THR H 1 73 SER H 0.000 . 5.000 4.130 3.813 4.543 . 0 0 "[ . 1 . 2]" 1
964 1 72 THR HA 1 72 THR HG1 0.000 . 6.200 2.470 2.071 2.992 . 0 0 "[ . 1 . 2]" 1
965 1 72 THR HA 1 73 SER H 0.000 . 2.850 2.281 2.193 2.886 0.036 6 0 "[ . 1 . 2]" 1
966 1 72 THR HB 1 72 THR HG1 0.000 . 4.060 1.986 1.874 2.075 0.126 1 0 "[ . 1 . 2]" 1
967 1 72 THR HB 1 73 SER H 0.000 . 5.000 4.193 1.965 4.505 0.035 6 0 "[ . 1 . 2]" 1
968 1 72 THR HG1 1 73 SER H 0.000 . 6.500 3.003 2.050 3.965 . 0 0 "[ . 1 . 2]" 1
969 1 72 THR HG1 1 73 SER HA 0.000 . 6.500 3.938 3.493 4.267 . 0 0 "[ . 1 . 2]" 1
970 1 73 SER H 1 73 SER QB 0.000 . 5.600 2.571 2.103 3.272 . 0 0 "[ . 1 . 2]" 1
971 1 73 SER HA 1 73 SER QB 0.000 . 3.560 2.236 2.166 2.398 . 0 0 "[ . 1 . 2]" 1
972 1 73 SER HA 1 74 THR H 0.000 . 3.560 2.296 2.156 2.693 . 0 0 "[ . 1 . 2]" 1
973 1 73 SER HA 1 74 THR HA 0.000 . 5.000 4.536 4.428 4.707 . 0 0 "[ . 1 . 2]" 1
974 1 73 SER HA 1 74 THR HB 0.000 . 5.000 4.774 4.564 5.040 0.040 19 0 "[ . 1 . 2]" 1
975 1 73 SER QB 1 74 THR H 0.000 . 5.800 3.683 2.056 4.068 . 0 0 "[ . 1 . 2]" 1
976 1 74 THR H 1 74 THR HB 0.000 . 3.560 2.655 2.379 3.075 . 0 0 "[ . 1 . 2]" 1
977 1 74 THR H 1 74 THR HG1 0.000 . 6.500 2.862 2.002 3.468 . 0 0 "[ . 1 . 2]" 1
978 1 74 THR H 1 75 THR H 0.000 . 5.000 4.333 3.804 4.555 . 0 0 "[ . 1 . 2]" 1
979 1 74 THR HA 1 74 THR HG1 0.000 . 6.200 2.126 2.023 2.245 . 0 0 "[ . 1 . 2]" 1
980 1 74 THR HA 1 75 THR H 0.000 . 2.850 2.214 2.179 2.252 . 0 0 "[ . 1 . 2]" 1
981 1 74 THR HB 1 74 THR HG1 0.000 . 3.350 2.026 1.868 2.081 0.132 2 0 "[ . 1 . 2]" 1
982 1 74 THR HB 1 76 PHE QE 0.000 . 7.000 3.004 2.561 3.740 . 0 0 "[ . 1 . 2]" 1
983 1 74 THR HB 1 76 PHE HZ 0.000 . 5.000 4.994 4.722 5.053 0.053 10 0 "[ . 1 . 2]" 1
984 1 74 THR HG1 1 75 THR H 0.000 . 6.500 3.015 2.536 3.259 . 0 0 "[ . 1 . 2]" 1
985 1 74 THR HG1 1 76 PHE QD 0.000 . 8.500 3.170 1.945 4.352 0.055 16 0 "[ . 1 . 2]" 1
986 1 74 THR HG1 1 76 PHE QE 0.000 . 8.500 3.183 2.325 4.229 . 0 0 "[ . 1 . 2]" 1
987 1 74 THR HG1 1 76 PHE HZ 0.000 . 6.500 4.334 3.372 5.095 . 0 0 "[ . 1 . 2]" 1
988 1 75 THR H 1 75 THR HB 0.000 . 3.560 2.770 2.377 3.570 0.010 10 0 "[ . 1 . 2]" 1
989 1 75 THR H 1 75 THR HG1 0.000 . 6.500 2.325 1.822 3.380 0.178 10 0 "[ . 1 . 2]" 1
990 1 75 THR HA 1 75 THR HG1 0.000 . 4.660 2.497 2.022 2.995 . 0 0 "[ . 1 . 2]" 1
991 1 75 THR HA 1 76 PHE H 0.000 . 2.850 2.314 2.245 2.429 . 0 0 "[ . 1 . 2]" 1
992 1 75 THR HA 1 76 PHE QD 0.000 . 7.000 3.838 3.586 4.282 . 0 0 "[ . 1 . 2]" 1
993 1 75 THR HB 1 75 THR HG1 0.000 . 4.060 1.965 1.865 2.079 0.135 11 0 "[ . 1 . 2]" 1
994 1 75 THR HB 1 76 PHE H 0.000 . 5.000 4.472 4.118 4.625 . 0 0 "[ . 1 . 2]" 1
995 1 75 THR HG1 1 76 PHE H 0.000 . 6.500 3.629 3.235 3.979 . 0 0 "[ . 1 . 2]" 1
996 1 75 THR HG1 1 77 PRO HA 0.000 . 6.500 4.499 4.050 5.240 . 0 0 "[ . 1 . 2]" 1
997 1 76 PHE H 1 76 PHE HB2 0.000 . 3.100 2.364 2.315 2.444 . 0 0 "[ . 1 . 2]" 1
998 1 76 PHE H 1 76 PHE HB3 0.000 . 4.000 3.604 3.585 3.635 . 0 0 "[ . 1 . 2]" 1
999 1 76 PHE H 1 76 PHE QD 0.000 . 5.560 1.919 1.808 2.252 0.192 15 0 "[ . 1 . 2]" 1
1000 1 76 PHE H 1 76 PHE QE 0.000 . 7.001 4.219 4.092 4.439 . 0 0 "[ . 1 . 2]" 1
1001 1 76 PHE HA 1 76 PHE HB3 0.000 . 3.100 2.638 2.603 2.680 . 0 0 "[ . 1 . 2]" 1
1002 1 76 PHE HA 1 76 PHE QD 0.000 . 6.000 2.878 2.223 3.033 . 0 0 "[ . 1 . 2]" 1
1003 1 76 PHE HA 1 77 PRO QD 0.000 . 6.000 1.918 1.833 2.043 0.167 1 0 "[ . 1 . 2]" 1
1004 1 76 PHE HA 1 77 PRO QG 0.000 . 6.000 3.908 3.807 4.030 . 0 0 "[ . 1 . 2]" 1
1005 1 76 PHE HA 1 80 ALA MB 0.000 . 6.500 4.929 4.165 5.333 . 0 0 "[ . 1 . 2]" 1
1006 1 76 PHE QB 1 103 VAL MG2 0.000 . 7.500 4.328 3.829 4.615 . 0 0 "[ . 1 . 2]" 1
1007 1 76 PHE HB2 1 76 PHE QD 0.000 . 5.000 2.613 2.468 2.790 . 0 0 "[ . 1 . 2]" 1
1008 1 76 PHE HB3 1 76 PHE QD 0.000 . 5.000 2.334 2.299 2.452 . 0 0 "[ . 1 . 2]" 1
1009 1 76 PHE QD 1 80 ALA MB 0.000 . 8.500 2.836 2.439 3.570 . 0 0 "[ . 1 . 2]" 1
1010 1 76 PHE QD 1 101 ILE MG 0.000 . 8.500 3.717 3.226 4.387 . 0 0 "[ . 1 . 2]" 1
1011 1 76 PHE QD 1 103 VAL MG1 0.000 . 8.500 4.881 4.204 5.480 . 0 0 "[ . 1 . 2]" 1
1012 1 76 PHE QD 1 103 VAL MG2 0.000 . 8.500 3.721 3.046 4.212 . 0 0 "[ . 1 . 2]" 1
1013 1 76 PHE QE 1 80 ALA MB 0.000 . 8.500 4.427 3.931 5.015 . 0 0 "[ . 1 . 2]" 1
1014 1 76 PHE QE 1 85 TYR HB3 0.000 . 7.000 4.065 3.170 4.629 . 0 0 "[ . 1 . 2]" 1
1015 1 76 PHE QE 1 101 ILE MD 0.000 . 8.500 2.291 1.839 2.620 0.161 2 0 "[ . 1 . 2]" 1
1016 1 76 PHE QE 1 101 ILE MG 0.000 . 8.500 2.908 2.145 3.530 . 0 0 "[ . 1 . 2]" 1
1017 1 76 PHE QE 1 103 VAL MG1 0.000 . 8.500 5.836 5.361 6.121 . 0 0 "[ . 1 . 2]" 1
1018 1 76 PHE QE 1 103 VAL MG2 0.000 . 8.500 4.026 3.455 4.401 . 0 0 "[ . 1 . 2]" 1
1019 1 76 PHE HZ 1 85 TYR HB2 0.000 . 5.000 4.539 4.057 5.005 0.005 11 0 "[ . 1 . 2]" 1
1020 1 76 PHE HZ 1 101 ILE MD 0.000 . 6.500 2.430 2.065 2.833 . 0 0 "[ . 1 . 2]" 1
1021 1 76 PHE HZ 1 101 ILE MG 0.000 . 6.500 3.765 3.311 4.162 . 0 0 "[ . 1 . 2]" 1
1022 1 76 PHE HZ 1 103 VAL MG2 0.000 . 6.500 5.440 5.215 5.500 . 0 0 "[ . 1 . 2]" 1
1023 1 77 PRO HA 1 77 PRO HB3 0.000 . 3.100 2.298 2.286 2.304 . 0 0 "[ . 1 . 2]" 1
1024 1 77 PRO HA 1 78 ALA H 0.000 . 3.560 2.433 2.273 2.575 . 0 0 "[ . 1 . 2]" 1
1025 1 77 PRO HA 1 79 ASP H 0.000 . 5.000 3.887 3.739 3.993 . 0 0 "[ . 1 . 2]" 1
1026 1 77 PRO HB2 1 77 PRO QD 0.000 . 5.000 3.567 3.561 3.570 . 0 0 "[ . 1 . 2]" 1
1027 1 77 PRO HB2 1 78 ALA H 0.000 . 5.000 2.703 2.350 3.076 . 0 0 "[ . 1 . 2]" 1
1028 1 77 PRO HB2 1 79 ASP H 0.000 . 3.560 2.139 2.036 2.216 . 0 0 "[ . 1 . 2]" 1
1029 1 77 PRO HB2 1 80 ALA H 0.000 . 5.000 3.465 2.762 3.774 . 0 0 "[ . 1 . 2]" 1
1030 1 77 PRO HB3 1 77 PRO QD 0.000 . 5.000 3.171 3.141 3.187 . 0 0 "[ . 1 . 2]" 1
1031 1 77 PRO HB3 1 78 ALA H 0.000 . 3.560 3.492 3.317 3.668 0.108 12 0 "[ . 1 . 2]" 1
1032 1 77 PRO HB3 1 79 ASP H 0.000 . 5.000 3.847 3.748 3.917 . 0 0 "[ . 1 . 2]" 1
1033 1 77 PRO HB3 1 80 ALA H 0.000 . 5.000 4.926 4.273 5.114 0.114 16 0 "[ . 1 . 2]" 1
1034 1 77 PRO QD 1 77 PRO QG 0.000 . 5.000 1.970 1.968 1.971 0.032 16 0 "[ . 1 . 2]" 1
1035 1 77 PRO QD 1 80 ALA MB 0.000 . 6.060 3.076 2.351 3.556 . 0 0 "[ . 1 . 2]" 1
1036 1 78 ALA H 1 78 ALA MB 0.000 . 4.050 2.184 2.074 2.300 . 0 0 "[ . 1 . 2]" 1
1037 1 78 ALA H 1 79 ASP H 0.000 . 5.000 2.638 2.555 2.715 . 0 0 "[ . 1 . 2]" 1
1038 1 78 ALA HA 1 78 ALA MB 0.000 . 5.700 2.132 2.106 2.152 . 0 0 "[ . 1 . 2]" 1
1039 1 78 ALA HA 1 79 ASP H 0.000 . 5.000 3.253 3.176 3.387 . 0 0 "[ . 1 . 2]" 1
1040 1 78 ALA MB 1 79 ASP H 0.000 . 6.500 3.349 3.080 3.450 . 0 0 "[ . 1 . 2]" 1
1041 1 79 ASP H 1 79 ASP QB 0.000 . 5.600 2.400 2.204 3.018 . 0 0 "[ . 1 . 2]" 1
1042 1 79 ASP H 1 80 ALA H 0.000 . 3.560 2.404 2.107 2.825 . 0 0 "[ . 1 . 2]" 1
1043 1 79 ASP H 1 80 ALA MB 0.000 . 6.500 3.893 3.673 4.201 . 0 0 "[ . 1 . 2]" 1
1044 1 79 ASP HA 1 79 ASP QB 0.000 . 3.560 2.428 2.182 2.537 . 0 0 "[ . 1 . 2]" 1
1045 1 79 ASP HA 1 80 ALA H 0.000 . 3.560 3.463 3.130 3.589 0.029 3 0 "[ . 1 . 2]" 1
1046 1 80 ALA H 1 80 ALA MB 0.000 . 4.760 2.451 2.078 2.905 . 0 0 "[ . 1 . 2]" 1
1047 1 80 ALA HA 1 80 ALA MB 0.000 . 3.550 2.126 2.103 2.150 . 0 0 "[ . 1 . 2]" 1
1048 1 80 ALA HA 1 81 PRO QD 0.000 . 6.000 1.943 1.848 2.281 0.152 8 0 "[ . 1 . 2]" 1
1049 1 80 ALA HA 1 85 TYR HH 0.000 . 5.001 3.372 2.799 4.060 . 0 0 "[ . 1 . 2]" 1
1050 1 80 ALA MB 1 81 PRO QD 0.000 . 7.500 3.229 2.576 3.488 . 0 0 "[ . 1 . 2]" 1
1051 1 80 ALA MB 1 85 TYR HH 0.000 . 6.500 3.369 2.542 4.086 . 0 0 "[ . 1 . 2]" 1
1052 1 80 ALA MB 1 103 VAL MG1 0.000 . 8.000 2.159 1.619 2.827 0.381 3 0 "[ . 1 . 2]" 1
1053 1 80 ALA MB 1 103 VAL MG2 0.000 . 8.000 2.488 1.824 2.876 0.176 13 0 "[ . 1 . 2]" 1
1054 1 81 PRO HA 1 81 PRO HB3 0.000 . 3.100 2.303 2.299 2.308 . 0 0 "[ . 1 . 2]" 1
1055 1 81 PRO HA 1 82 ALA H 0.000 . 2.850 2.397 2.194 2.889 0.039 9 0 "[ . 1 . 2]" 1
1056 1 81 PRO HA 1 82 ALA MB 0.000 . 6.500 4.083 3.699 4.283 . 0 0 "[ . 1 . 2]" 1
1057 1 81 PRO HB2 1 82 ALA H 0.000 . 5.000 3.188 1.891 4.335 0.109 13 0 "[ . 1 . 2]" 1
1058 1 81 PRO HB2 1 85 TYR HH 0.000 . 5.000 4.218 3.566 5.011 0.011 9 0 "[ . 1 . 2]" 1
1059 1 81 PRO HB3 1 82 ALA H 0.000 . 5.000 3.836 3.179 4.710 . 0 0 "[ . 1 . 2]" 1
1060 1 81 PRO QD 1 81 PRO QG 0.000 . 5.000 1.970 1.966 1.972 0.034 5 0 "[ . 1 . 2]" 1
1061 1 81 PRO QD 1 85 TYR HH 0.000 . 6.000 2.452 1.862 2.876 0.138 14 0 "[ . 1 . 2]" 1
1062 1 81 PRO QG 1 85 TYR HH 0.000 . 4.560 3.215 2.561 3.829 . 0 0 "[ . 1 . 2]" 1
1063 1 82 ALA H 1 82 ALA MB 0.000 . 4.050 2.267 2.044 2.969 . 0 0 "[ . 1 . 2]" 1
1064 1 82 ALA HA 1 82 ALA MB 0.000 . 4.860 2.122 2.108 2.147 . 0 0 "[ . 1 . 2]" 1
1065 1 82 ALA HA 1 83 GLY H 0.000 . 5.000 2.378 2.186 3.579 . 0 0 "[ . 1 . 2]" 1
1066 1 82 ALA HA 1 85 TYR HH 0.000 . 5.001 4.185 3.628 4.972 . 0 0 "[ . 1 . 2]" 1
1067 1 82 ALA MB 1 83 GLY H 0.000 . 6.500 3.010 1.820 3.545 0.180 4 0 "[ . 1 . 2]" 1
1068 1 82 ALA MB 1 85 TYR QE 0.000 . 8.500 5.168 3.029 5.891 . 0 0 "[ . 1 . 2]" 1
1069 1 82 ALA MB 1 85 TYR HH 0.000 . 6.500 4.845 2.452 5.483 . 0 0 "[ . 1 . 2]" 1
1070 1 82 ALA MB 1 103 VAL MG1 0.000 . 8.000 4.360 3.189 5.490 . 0 0 "[ . 1 . 2]" 1
1071 1 82 ALA MB 1 105 GLY H 0.000 . 6.500 3.872 2.100 5.426 . 0 0 "[ . 1 . 2]" 1
1072 1 83 GLY H 1 83 GLY QA 0.000 . 5.000 2.472 2.214 2.534 . 0 0 "[ . 1 . 2]" 1
1073 1 83 GLY H 1 85 TYR QE 0.000 . 7.000 3.606 2.094 5.533 . 0 0 "[ . 1 . 2]" 1
1074 1 83 GLY H 1 102 THR HA 0.000 . 5.000 4.656 4.036 5.054 0.054 9 0 "[ . 1 . 2]" 1
1075 1 83 GLY H 1 102 THR HG1 0.000 . 6.500 4.549 3.736 5.154 . 0 0 "[ . 1 . 2]" 1
1076 1 83 GLY H 1 103 VAL H 0.000 . 3.560 3.294 2.651 3.705 0.145 3 0 "[ . 1 . 2]" 1
1077 1 83 GLY H 1 103 VAL HB 0.000 . 3.560 3.308 2.876 3.569 0.009 3 0 "[ . 1 . 2]" 1
1078 1 83 GLY H 1 103 VAL MG1 0.000 . 6.500 4.502 3.437 4.957 . 0 0 "[ . 1 . 2]" 1
1079 1 83 GLY H 1 103 VAL MG2 0.000 . 6.500 4.250 3.836 4.904 . 0 0 "[ . 1 . 2]" 1
1080 1 83 GLY QA 1 84 GLU H 0.000 . 4.560 2.310 2.156 2.893 . 0 0 "[ . 1 . 2]" 1
1081 1 84 GLU H 1 84 GLU QG 0.000 . 5.600 2.879 1.829 4.356 0.171 11 0 "[ . 1 . 2]" 1
1082 1 84 GLU H 1 102 THR HG1 0.000 . 6.500 4.945 4.457 5.174 . 0 0 "[ . 1 . 2]" 1
1083 1 84 GLU HA 1 84 GLU QG 0.000 . 5.000 2.610 2.029 3.389 . 0 0 "[ . 1 . 2]" 1
1084 1 84 GLU HA 1 85 TYR H 0.000 . 3.560 2.238 2.183 2.676 . 0 0 "[ . 1 . 2]" 1
1085 1 84 GLU HA 1 102 THR HG1 0.000 . 6.500 3.377 2.706 4.673 . 0 0 "[ . 1 . 2]" 1
1086 1 84 GLU HA 1 103 VAL H 0.000 . 5.000 3.915 3.208 5.100 0.100 3 0 "[ . 1 . 2]" 1
1087 1 84 GLU QB 1 85 TYR H 0.000 . 4.560 3.411 2.701 3.941 . 0 0 "[ . 1 . 2]" 1
1088 1 84 GLU QG 1 85 TYR H 0.000 . 5.800 3.979 2.764 4.526 . 0 0 "[ . 1 . 2]" 1
1089 1 85 TYR H 1 85 TYR HB2 0.000 . 3.100 2.604 2.444 2.828 . 0 0 "[ . 1 . 2]" 1
1090 1 85 TYR H 1 85 TYR HB3 0.000 . 4.000 3.710 3.631 3.871 . 0 0 "[ . 1 . 2]" 1
1091 1 85 TYR H 1 85 TYR QD 0.000 . 7.000 2.343 1.842 3.402 0.158 17 0 "[ . 1 . 2]" 1
1092 1 85 TYR H 1 100 LYS HA 0.000 . 5.000 4.293 3.506 4.900 . 0 0 "[ . 1 . 2]" 1
1093 1 85 TYR H 1 100 LYS QD 0.000 . 6.000 5.055 4.371 5.434 . 0 0 "[ . 1 . 2]" 1
1094 1 85 TYR H 1 100 LYS QG 0.000 . 6.000 5.063 4.340 5.302 . 0 0 "[ . 1 . 2]" 1
1095 1 85 TYR H 1 101 ILE H 0.000 . 5.000 2.999 2.269 3.649 . 0 0 "[ . 1 . 2]" 1
1096 1 85 TYR H 1 101 ILE HB 0.000 . 5.000 3.879 3.210 4.542 . 0 0 "[ . 1 . 2]" 1
1097 1 85 TYR H 1 101 ILE MG 0.000 . 6.500 3.216 2.415 3.769 . 0 0 "[ . 1 . 2]" 1
1098 1 85 TYR H 1 102 THR HA 0.000 . 5.000 3.842 3.238 4.517 . 0 0 "[ . 1 . 2]" 1
1099 1 85 TYR H 1 102 THR HG1 0.000 . 6.500 4.453 3.828 5.166 . 0 0 "[ . 1 . 2]" 1
1100 1 85 TYR H 1 103 VAL MG2 0.000 . 6.500 4.562 4.025 5.066 . 0 0 "[ . 1 . 2]" 1
1101 1 85 TYR HA 1 85 TYR HB3 0.000 . 3.100 2.443 2.331 2.503 . 0 0 "[ . 1 . 2]" 1
1102 1 85 TYR HA 1 86 THR H 0.000 . 5.000 2.556 2.207 3.544 . 0 0 "[ . 1 . 2]" 1
1103 1 85 TYR HB2 1 85 TYR QD 0.000 . 5.000 2.516 2.371 2.621 . 0 0 "[ . 1 . 2]" 1
1104 1 85 TYR HB2 1 101 ILE H 0.000 . 5.000 2.299 1.904 2.790 0.096 16 0 "[ . 1 . 2]" 1
1105 1 85 TYR HB2 1 101 ILE MG 0.000 . 6.500 2.890 1.864 3.484 0.136 11 0 "[ . 1 . 2]" 1
1106 1 85 TYR HB3 1 85 TYR QD 0.000 . 5.000 2.481 2.304 2.786 . 0 0 "[ . 1 . 2]" 1
1107 1 85 TYR HB3 1 87 PHE QD 0.000 . 7.000 3.656 2.767 4.192 . 0 0 "[ . 1 . 2]" 1
1108 1 85 TYR HB3 1 87 PHE QE 0.000 . 7.000 4.424 3.690 5.474 . 0 0 "[ . 1 . 2]" 1
1109 1 85 TYR HB3 1 101 ILE H 0.000 . 5.000 3.783 3.112 4.425 . 0 0 "[ . 1 . 2]" 1
1110 1 85 TYR HB3 1 101 ILE MD 0.000 . 6.500 4.886 4.463 5.254 . 0 0 "[ . 1 . 2]" 1
1111 1 85 TYR HB3 1 101 ILE MG 0.000 . 6.500 4.037 3.027 4.643 . 0 0 "[ . 1 . 2]" 1
1112 1 85 TYR QD 1 103 VAL H 0.000 . 7.001 3.924 2.911 5.454 . 0 0 "[ . 1 . 2]" 1
1113 1 85 TYR QE 1 85 TYR HH . . 2.850 2.324 2.192 2.597 . 0 0 "[ . 1 . 2]" 1
1114 1 85 TYR QE 1 103 VAL H 0.000 . 7.000 3.427 2.391 4.985 . 0 0 "[ . 1 . 2]" 1
1115 1 85 TYR HH 1 103 VAL H 0.000 . 5.000 4.856 4.498 5.032 0.032 4 0 "[ . 1 . 2]" 1
1116 1 85 TYR HH 1 103 VAL HB 0.000 . 5.001 3.292 2.694 3.980 . 0 0 "[ . 1 . 2]" 1
1117 1 85 TYR HH 1 103 VAL MG1 0.000 . 6.500 4.004 3.141 4.747 . 0 0 "[ . 1 . 2]" 1
1118 1 85 TYR HH 1 103 VAL MG2 0.000 . 6.500 3.377 2.722 3.909 . 0 0 "[ . 1 . 2]" 1
1119 1 86 THR H 1 86 THR HB 0.000 . 3.560 2.879 2.365 3.562 0.002 9 0 "[ . 1 . 2]" 1
1120 1 86 THR H 1 86 THR HG1 0.000 . 6.500 3.242 1.938 3.709 0.062 2 0 "[ . 1 . 2]" 1
1121 1 86 THR HA 1 86 THR HG1 0.000 . 6.200 2.190 1.926 2.406 0.074 12 0 "[ . 1 . 2]" 1
1122 1 86 THR HA 1 87 PHE H 0.000 . 5.000 2.208 2.165 2.331 . 0 0 "[ . 1 . 2]" 1
1123 1 86 THR HA 1 100 LYS HA 0.000 . 3.560 2.218 1.908 2.777 0.092 11 0 "[ . 1 . 2]" 1
1124 1 86 THR HA 1 100 LYS QG 0.000 . 6.000 1.948 1.822 2.632 0.178 5 0 "[ . 1 . 2]" 1
1125 1 86 THR HA 1 101 ILE H 0.000 . 5.000 3.835 3.372 4.580 . 0 0 "[ . 1 . 2]" 1
1126 1 86 THR HB 1 86 THR HG1 0.000 . 3.560 2.001 1.879 2.083 0.121 5 0 "[ . 1 . 2]" 1
1127 1 86 THR HG1 1 87 PHE H 0.000 . 6.500 3.012 2.703 3.499 . 0 0 "[ . 1 . 2]" 1
1128 1 86 THR HG1 1 88 TYR QD 0.000 . 8.500 3.924 3.570 4.481 . 0 0 "[ . 1 . 2]" 1
1129 1 86 THR HG1 1 88 TYR QE 0.000 . 8.500 5.375 5.064 5.620 . 0 0 "[ . 1 . 2]" 1
1130 1 86 THR HG1 1 98 VAL QG 0.000 . 8.900 2.140 1.755 2.454 0.245 12 0 "[ . 1 . 2]" 1
1131 1 86 THR HG1 1 100 LYS H 0.000 . 6.500 5.017 4.546 5.150 . 0 0 "[ . 1 . 2]" 1
1132 1 86 THR HG1 1 100 LYS HA 0.000 . 6.500 3.578 2.972 3.894 . 0 0 "[ . 1 . 2]" 1
1133 1 87 PHE H 1 87 PHE HA 0.000 . 2.850 2.961 2.953 2.968 0.118 13 0 "[ . 1 . 2]" 1
1134 1 87 PHE H 1 87 PHE HB2 0.000 . 4.000 3.578 3.559 3.636 . 0 0 "[ . 1 . 2]" 1
1135 1 87 PHE H 1 87 PHE HB3 0.000 . 3.400 3.336 3.256 3.390 . 0 0 "[ . 1 . 2]" 1
1136 1 87 PHE H 1 87 PHE QD 0.000 . 5.560 2.638 2.463 2.863 . 0 0 "[ . 1 . 2]" 1
1137 1 87 PHE H 1 87 PHE QE 0.000 . 6.000 3.625 3.547 3.764 . 0 0 "[ . 1 . 2]" 1
1138 1 87 PHE H 1 99 GLY H 0.000 . 5.000 3.637 3.090 4.243 . 0 0 "[ . 1 . 2]" 1
1139 1 87 PHE H 1 100 LYS HA 0.000 . 5.000 2.912 2.414 3.191 . 0 0 "[ . 1 . 2]" 1
1140 1 87 PHE HA 1 87 PHE HB2 0.000 . 3.100 2.664 2.634 2.679 . 0 0 "[ . 1 . 2]" 1
1141 1 87 PHE HA 1 87 PHE HB3 0.000 . 3.100 2.304 2.288 2.327 . 0 0 "[ . 1 . 2]" 1
1142 1 87 PHE HA 1 87 PHE QD 0.000 . 6.000 3.547 3.449 3.639 . 0 0 "[ . 1 . 2]" 1
1143 1 87 PHE HA 1 87 PHE QE 0.000 . 5.600 5.469 5.437 5.503 . 0 0 "[ . 1 . 2]" 1
1144 1 87 PHE HA 1 88 TYR H 0.000 . 3.560 2.489 2.369 2.606 . 0 0 "[ . 1 . 2]" 1
1145 1 87 PHE HA 1 88 TYR QD 0.000 . 7.000 2.726 2.507 3.211 . 0 0 "[ . 1 . 2]" 1
1146 1 87 PHE HA 1 88 TYR QE 0.000 . 7.000 4.206 3.923 4.502 . 0 0 "[ . 1 . 2]" 1
1147 1 87 PHE HB2 1 87 PHE QD 0.000 . 7.000 2.393 2.329 2.578 . 0 0 "[ . 1 . 2]" 1
1148 1 87 PHE HB2 1 88 TYR H 0.000 . 5.000 2.510 2.209 2.785 . 0 0 "[ . 1 . 2]" 1
1149 1 87 PHE HB2 1 99 GLY H 0.000 . 5.000 4.491 4.124 4.952 . 0 0 "[ . 1 . 2]" 1
1150 1 87 PHE HB3 1 87 PHE QD 0.000 . 7.000 2.422 2.300 2.510 . 0 0 "[ . 1 . 2]" 1
1151 1 87 PHE HB3 1 88 TYR H 0.000 . 3.560 3.526 3.412 3.609 0.049 5 0 "[ . 1 . 2]" 1
1152 1 87 PHE QD 1 88 TYR H 0.000 . 7.000 3.994 3.590 4.289 . 0 0 "[ . 1 . 2]" 1
1153 1 87 PHE QD 1 99 GLY HA2 0.000 . 7.000 4.813 4.494 5.111 . 0 0 "[ . 1 . 2]" 1
1154 1 87 PHE QD 1 99 GLY HA3 0.000 . 7.000 3.481 2.963 3.862 . 0 0 "[ . 1 . 2]" 1
1155 1 87 PHE QD 1 100 LYS HA 0.000 . 7.000 3.671 3.196 4.099 . 0 0 "[ . 1 . 2]" 1
1156 1 87 PHE QD 1 101 ILE H 0.000 . 7.000 3.630 3.164 4.015 . 0 0 "[ . 1 . 2]" 1
1157 1 87 PHE QD 1 101 ILE MD 0.000 . 8.500 4.626 4.153 4.962 . 0 0 "[ . 1 . 2]" 1
1158 1 87 PHE QE 1 99 GLY HA2 0.000 . 7.000 3.695 3.532 4.085 . 0 0 "[ . 1 . 2]" 1
1159 1 87 PHE QE 1 99 GLY HA3 0.000 . 7.000 2.007 1.863 2.378 0.137 9 0 "[ . 1 . 2]" 1
1160 1 87 PHE QE 1 100 LYS H 0.000 . 7.000 3.443 3.093 3.806 . 0 0 "[ . 1 . 2]" 1
1161 1 87 PHE QE 1 100 LYS HA 0.000 . 7.000 2.904 2.466 3.600 . 0 0 "[ . 1 . 2]" 1
1162 1 87 PHE QE 1 101 ILE H 0.000 . 7.000 2.166 1.868 2.915 0.132 7 0 "[ . 1 . 2]" 1
1163 1 87 PHE QE 1 101 ILE HA 0.000 . 7.000 3.424 3.143 3.646 . 0 0 "[ . 1 . 2]" 1
1164 1 87 PHE QE 1 101 ILE MD 0.000 . 8.500 3.648 3.109 4.047 . 0 0 "[ . 1 . 2]" 1
1165 1 87 PHE QE 1 101 ILE QG 0.000 . 8.500 2.430 1.872 2.800 0.128 16 0 "[ . 1 . 2]" 1
1166 1 87 PHE QE 1 101 ILE MG 0.000 . 8.500 4.014 3.646 4.285 . 0 0 "[ . 1 . 2]" 1
1167 1 87 PHE HZ 1 99 GLY HA2 0.000 . 5.000 4.477 4.137 4.954 . 0 0 "[ . 1 . 2]" 1
1168 1 87 PHE HZ 1 99 GLY HA3 0.000 . 5.000 3.201 2.753 3.662 . 0 0 "[ . 1 . 2]" 1
1169 1 88 TYR H 1 88 TYR HA 0.000 . 2.850 2.928 2.909 2.958 0.108 5 0 "[ . 1 . 2]" 1
1170 1 88 TYR H 1 88 TYR HB2 0.000 . 4.000 3.974 3.900 4.014 0.014 10 0 "[ . 1 . 2]" 1
1171 1 88 TYR H 1 88 TYR HB3 0.000 . 3.400 3.377 3.265 3.421 0.021 17 0 "[ . 1 . 2]" 1
1172 1 88 TYR H 1 88 TYR QD 0.000 . 7.000 2.404 1.945 3.160 0.055 5 0 "[ . 1 . 2]" 1
1173 1 88 TYR HA 1 88 TYR HB2 0.000 . 3.100 2.456 2.419 2.496 . 0 0 "[ . 1 . 2]" 1
1174 1 88 TYR HA 1 88 TYR HB3 0.000 . 3.100 2.478 2.437 2.516 . 0 0 "[ . 1 . 2]" 1
1175 1 88 TYR HA 1 88 TYR QD 0.000 . 6.000 3.661 3.624 3.700 . 0 0 "[ . 1 . 2]" 1
1176 1 88 TYR HA 1 89 CYS H 0.000 . 3.560 2.817 2.612 3.005 . 0 0 "[ . 1 . 2]" 1
1177 1 88 TYR HA 1 98 VAL HA 0.000 . 5.000 2.154 1.806 2.661 0.194 10 0 "[ . 1 . 2]" 1
1178 1 88 TYR HA 1 98 VAL MG1 0.000 . 6.500 3.681 3.120 4.741 . 0 0 "[ . 1 . 2]" 1
1179 1 88 TYR HA 1 98 VAL MG2 0.000 . 6.500 3.130 2.355 3.829 . 0 0 "[ . 1 . 2]" 1
1180 1 88 TYR HB2 1 88 TYR QD 0.000 . 5.000 2.340 2.300 2.467 . 0 0 "[ . 1 . 2]" 1
1181 1 88 TYR HB2 1 89 CYS H 0.000 . 5.000 1.893 1.831 2.098 0.169 12 0 "[ . 1 . 2]" 1
1182 1 88 TYR HB2 1 98 VAL QG 0.000 . 7.900 2.536 1.846 3.429 0.154 11 0 "[ . 1 . 2]" 1
1183 1 88 TYR HB2 1 98 VAL MG2 0.000 . 6.500 2.606 1.853 3.635 0.147 11 0 "[ . 1 . 2]" 1
1184 1 88 TYR HB3 1 88 TYR QD 0.000 . 3.560 2.532 2.365 2.627 . 0 0 "[ . 1 . 2]" 1
1185 1 88 TYR HB3 1 89 CYS H 0.000 . 5.000 3.455 3.375 3.606 . 0 0 "[ . 1 . 2]" 1
1186 1 88 TYR HB3 1 98 VAL MG1 0.000 . 6.500 2.817 1.967 3.742 0.033 9 0 "[ . 1 . 2]" 1
1187 1 88 TYR QD 1 89 CYS H 0.000 . 7.000 2.337 2.029 2.839 . 0 0 "[ . 1 . 2]" 1
1188 1 88 TYR QD 1 90 GLU H 0.000 . 7.001 4.406 3.517 4.963 . 0 0 "[ . 1 . 2]" 1
1189 1 88 TYR QD 1 93 ARG QD 0.000 . 8.000 3.497 2.288 4.573 . 0 0 "[ . 1 . 2]" 1
1190 1 88 TYR QD 1 98 VAL MG1 0.000 . 8.500 4.296 3.645 5.028 . 0 0 "[ . 1 . 2]" 1
1191 1 88 TYR QD 1 98 VAL MG2 0.000 . 8.500 3.887 3.149 4.423 . 0 0 "[ . 1 . 2]" 1
1192 1 88 TYR QE 1 90 GLU H 0.000 . 7.001 4.508 3.438 5.038 . 0 0 "[ . 1 . 2]" 1
1193 1 88 TYR QE 1 90 GLU HB2 0.000 . 7.000 3.958 3.078 4.781 . 0 0 "[ . 1 . 2]" 1
1194 1 88 TYR QE 1 90 GLU HB3 0.000 . 7.000 5.266 4.545 5.813 . 0 0 "[ . 1 . 2]" 1
1195 1 88 TYR QE 1 93 ARG QD 0.000 . 6.560 3.545 2.395 4.444 . 0 0 "[ . 1 . 2]" 1
1196 1 88 TYR QE 1 98 VAL MG1 0.000 . 8.500 5.998 5.410 6.520 . 0 0 "[ . 1 . 2]" 1
1197 1 88 TYR QE 1 98 VAL MG2 0.000 . 8.500 5.586 4.887 6.089 . 0 0 "[ . 1 . 2]" 1
1198 1 89 CYS H 1 89 CYS QB 0.000 . 5.600 2.509 2.347 2.679 . 0 0 "[ . 1 . 2]" 1
1199 1 89 CYS HA 1 89 CYS QB 0.000 . 5.000 2.521 2.357 2.547 . 0 0 "[ . 1 . 2]" 1
1200 1 89 CYS HA 1 90 GLU H 0.000 . 5.000 2.263 2.187 2.399 . 0 0 "[ . 1 . 2]" 1
1201 1 89 CYS QB 1 90 GLU H 0.000 . 4.360 3.325 2.508 3.658 . 0 0 "[ . 1 . 2]" 1
1202 1 89 CYS QB 1 92 HIS H 0.000 . 6.000 2.528 2.011 3.240 . 0 0 "[ . 1 . 2]" 1
1203 1 90 GLU H 1 90 GLU HB2 0.000 . 3.400 2.685 2.276 3.011 . 0 0 "[ . 1 . 2]" 1
1204 1 90 GLU H 1 90 GLU HB3 0.000 . 3.100 2.534 2.252 2.922 . 0 0 "[ . 1 . 2]" 1
1205 1 90 GLU H 1 90 GLU QG 0.000 . 6.000 3.979 3.836 4.104 . 0 0 "[ . 1 . 2]" 1
1206 1 90 GLU HA 1 90 GLU HB2 0.000 . 3.100 2.467 2.330 2.672 . 0 0 "[ . 1 . 2]" 1
1207 1 90 GLU HA 1 90 GLU QG 0.000 . 5.600 2.446 2.030 2.797 . 0 0 "[ . 1 . 2]" 1
1208 1 90 GLU HB3 1 90 GLU QG 0.000 . 3.560 2.320 2.164 2.536 . 0 0 "[ . 1 . 2]" 1
1209 1 91 PRO QB 1 92 HIS H 0.000 . 6.000 2.637 2.232 2.926 . 0 0 "[ . 1 . 2]" 1
1210 1 91 PRO QD 1 91 PRO QG 0.000 . 5.000 1.964 1.961 1.966 0.039 11 0 "[ . 1 . 2]" 1
1211 1 91 PRO QD 1 92 HIS H 0.000 . 6.000 2.513 2.280 2.874 . 0 0 "[ . 1 . 2]" 1
1212 1 91 PRO QG 1 92 HIS H 0.000 . 6.000 2.133 1.972 2.366 0.028 18 0 "[ . 1 . 2]" 1
1213 1 92 HIS H 1 92 HIS HB2 0.000 . 3.100 2.735 2.529 2.859 . 0 0 "[ . 1 . 2]" 1
1214 1 92 HIS H 1 92 HIS HB3 0.000 . 4.000 3.655 3.595 3.744 . 0 0 "[ . 1 . 2]" 1
1215 1 92 HIS HA 1 92 HIS HB3 0.000 . 3.100 2.374 2.328 2.458 . 0 0 "[ . 1 . 2]" 1
1216 1 92 HIS HA 1 92 HIS HD2 0.000 . 3.560 3.313 2.853 3.617 0.057 11 0 "[ . 1 . 2]" 1
1217 1 92 HIS HA 1 93 ARG H 0.000 . 5.000 2.720 2.337 3.255 . 0 0 "[ . 1 . 2]" 1
1218 1 92 HIS HA 1 95 ALA H 0.000 . 5.001 4.400 3.478 4.943 . 0 0 "[ . 1 . 2]" 1
1219 1 92 HIS HA 1 95 ALA MB 0.000 . 6.500 3.470 2.774 4.483 . 0 0 "[ . 1 . 2]" 1
1220 1 92 HIS HB2 1 97 MET H 0.000 . 5.000 4.768 4.504 5.014 0.014 12 0 "[ . 1 . 2]" 1
1221 1 92 HIS HB3 1 93 ARG H 0.000 . 5.000 4.453 4.139 4.584 . 0 0 "[ . 1 . 2]" 1
1222 1 92 HIS HB3 1 95 ALA MB 0.000 . 6.500 2.498 1.784 3.664 0.216 5 0 "[ . 1 . 2]" 1
1223 1 92 HIS HB3 1 97 MET H 0.000 . 5.000 4.916 4.564 5.023 0.023 4 0 "[ . 1 . 2]" 1
1224 1 92 HIS HB3 1 97 MET HB2 0.000 . 5.000 3.913 2.815 4.478 . 0 0 "[ . 1 . 2]" 1
1225 1 93 ARG H 1 93 ARG QB 0.000 . 4.160 2.313 2.060 2.623 . 0 0 "[ . 1 . 2]" 1
1226 1 93 ARG HA 1 93 ARG QB 0.000 . 5.000 2.421 2.199 2.546 . 0 0 "[ . 1 . 2]" 1
1227 1 93 ARG HA 1 93 ARG QG 0.000 . 5.600 2.359 1.907 3.310 0.093 7 0 "[ . 1 . 2]" 1
1228 1 93 ARG HA 1 95 ALA H 0.000 . 5.000 3.641 3.269 4.285 . 0 0 "[ . 1 . 2]" 1
1229 1 93 ARG HA 1 97 MET H 0.000 . 5.000 4.328 3.458 5.027 0.027 15 0 "[ . 1 . 2]" 1
1230 1 93 ARG HA 1 98 VAL QG 0.000 . 7.900 4.291 3.605 5.630 . 0 0 "[ . 1 . 2]" 1
1231 1 93 ARG QB 1 93 ARG QG 0.000 . 5.000 2.084 2.043 2.108 . 0 0 "[ . 1 . 2]" 1
1232 1 93 ARG QD 1 93 ARG QG 0.000 . 5.000 2.064 1.973 2.108 0.027 12 0 "[ . 1 . 2]" 1
1233 1 94 GLY H 1 94 GLY QA 0.000 . 5.000 2.340 2.257 2.494 . 0 0 "[ . 1 . 2]" 1
1234 1 94 GLY QA 1 95 ALA H 0.000 . 6.000 2.860 2.610 2.941 . 0 0 "[ . 1 . 2]" 1
1235 1 95 ALA H 1 95 ALA MB 0.000 . 4.660 2.413 2.176 2.682 . 0 0 "[ . 1 . 2]" 1
1236 1 95 ALA H 1 96 GLY H 0.000 . 3.560 2.783 2.343 3.783 0.223 16 0 "[ . 1 . 2]" 1
1237 1 95 ALA HA 1 95 ALA MB 0.000 . 3.550 2.130 2.109 2.151 . 0 0 "[ . 1 . 2]" 1
1238 1 95 ALA HA 1 96 GLY H 0.000 . 2.850 2.899 2.856 3.148 0.298 16 0 "[ . 1 . 2]" 1
1239 1 95 ALA MB 1 96 GLY H 0.000 . 6.500 3.557 1.752 3.677 0.248 16 0 "[ . 1 . 2]" 1
1240 1 95 ALA MB 1 97 MET H 0.000 . 6.500 3.393 2.948 4.132 . 0 0 "[ . 1 . 2]" 1
1241 1 96 GLY H 1 96 GLY QA 0.000 . 3.560 2.252 2.232 2.422 . 0 0 "[ . 1 . 2]" 1
1242 1 96 GLY H 1 97 MET H 0.000 . 3.560 2.787 2.546 3.206 . 0 0 "[ . 1 . 2]" 1
1243 1 96 GLY QA 1 97 MET H 0.000 . 6.000 2.829 2.542 2.942 . 0 0 "[ . 1 . 2]" 1
1244 1 96 GLY QA 1 98 VAL QG 0.000 . 8.900 3.399 2.888 4.057 . 0 0 "[ . 1 . 2]" 1
1245 1 97 MET H 1 97 MET HB2 0.000 . 3.100 2.392 2.196 2.660 . 0 0 "[ . 1 . 2]" 1
1246 1 97 MET H 1 97 MET HB3 0.000 . 4.000 3.610 3.508 3.727 . 0 0 "[ . 1 . 2]" 1
1247 1 97 MET HA 1 97 MET HB3 0.000 . 3.100 2.555 2.405 2.676 . 0 0 "[ . 1 . 2]" 1
1248 1 97 MET HA 1 98 VAL H 0.000 . 3.560 2.604 2.467 2.889 . 0 0 "[ . 1 . 2]" 1
1249 1 98 VAL H 1 98 VAL HB 0.000 . 3.560 2.857 2.641 3.475 . 0 0 "[ . 1 . 2]" 1
1250 1 98 VAL H 1 98 VAL MG1 0.000 . 6.500 3.617 1.857 3.966 0.143 12 0 "[ . 1 . 2]" 1
1251 1 98 VAL H 1 98 VAL MG2 0.000 . 6.500 3.037 2.740 3.850 . 0 0 "[ . 1 . 2]" 1
1252 1 98 VAL HA 1 98 VAL MG1 0.000 . 4.760 2.455 2.176 3.174 . 0 0 "[ . 1 . 2]" 1
1253 1 98 VAL HA 1 98 VAL MG2 0.000 . 4.760 2.376 2.228 2.499 . 0 0 "[ . 1 . 2]" 1
1254 1 98 VAL HA 1 99 GLY H 0.000 . 2.850 2.270 2.195 2.482 . 0 0 "[ . 1 . 2]" 1
1255 1 98 VAL HB 1 98 VAL MG1 0.000 . 4.060 2.122 2.107 2.148 . 0 0 "[ . 1 . 2]" 1
1256 1 98 VAL HB 1 98 VAL MG2 0.000 . 4.060 2.127 2.111 2.153 . 0 0 "[ . 1 . 2]" 1
1257 1 98 VAL HB 1 99 GLY H 0.000 . 5.000 4.372 3.923 4.526 . 0 0 "[ . 1 . 2]" 1
1258 1 98 VAL MG1 1 99 GLY H 0.000 . 6.500 3.246 2.435 4.182 . 0 0 "[ . 1 . 2]" 1
1259 1 98 VAL MG2 1 99 GLY H 0.000 . 6.500 4.012 1.998 4.376 0.002 17 0 "[ . 1 . 2]" 1
1260 1 99 GLY H 1 99 GLY HA2 0.000 . 2.850 2.950 2.885 2.976 0.126 5 0 "[ . 1 . 2]" 1
1261 1 99 GLY HA2 1 100 LYS H 0.000 . 3.850 2.619 2.375 2.802 . 0 0 "[ . 1 . 2]" 1
1262 1 99 GLY HA3 1 100 LYS H 0.000 . 5.000 2.621 2.440 2.927 . 0 0 "[ . 1 . 2]" 1
1263 1 100 LYS H 1 100 LYS HB2 0.000 . 3.100 2.934 2.688 3.132 0.032 9 0 "[ . 1 . 2]" 1
1264 1 100 LYS H 1 100 LYS HB3 0.000 . 4.000 3.929 3.824 3.994 . 0 0 "[ . 1 . 2]" 1
1265 1 100 LYS H 1 100 LYS QG 0.000 . 6.000 3.073 2.425 3.697 . 0 0 "[ . 1 . 2]" 1
1266 1 100 LYS HA 1 100 LYS HB3 0.000 . 3.100 2.471 2.313 2.674 . 0 0 "[ . 1 . 2]" 1
1267 1 100 LYS HA 1 100 LYS QG 0.000 . 5.600 2.383 2.060 2.700 . 0 0 "[ . 1 . 2]" 1
1268 1 100 LYS HA 1 101 ILE H 0.000 . 2.850 2.219 2.192 2.268 . 0 0 "[ . 1 . 2]" 1
1269 1 100 LYS HA 1 101 ILE MG 0.000 . 6.500 5.204 4.950 5.359 . 0 0 "[ . 1 . 2]" 1
1270 1 100 LYS HB2 1 101 ILE H 0.000 . 5.000 4.139 3.777 4.482 . 0 0 "[ . 1 . 2]" 1
1271 1 100 LYS HB3 1 101 ILE H 0.000 . 5.000 3.311 2.999 3.565 . 0 0 "[ . 1 . 2]" 1
1272 1 100 LYS QG 1 101 ILE H 0.000 . 6.000 4.164 3.603 4.498 . 0 0 "[ . 1 . 2]" 1
1273 1 101 ILE H 1 101 ILE HB 0.000 . 2.850 2.206 2.141 2.353 . 0 0 "[ . 1 . 2]" 1
1274 1 101 ILE H 1 101 ILE MG 0.000 . 6.500 3.357 3.029 3.543 . 0 0 "[ . 1 . 2]" 1
1275 1 101 ILE HA 1 101 ILE MD 0.000 . 6.000 3.657 3.619 3.696 . 0 0 "[ . 1 . 2]" 1
1276 1 101 ILE HA 1 101 ILE QG 0.000 . 6.000 2.098 2.069 2.141 . 0 0 "[ . 1 . 2]" 1
1277 1 101 ILE HA 1 101 ILE MG 0.000 . 4.660 2.869 2.733 3.021 . 0 0 "[ . 1 . 2]" 1
1278 1 101 ILE HA 1 102 THR H 0.000 . 2.850 2.230 2.184 2.357 . 0 0 "[ . 1 . 2]" 1
1279 1 101 ILE HB 1 101 ILE MG 0.000 . 3.350 2.151 2.147 2.153 . 0 0 "[ . 1 . 2]" 1
1280 1 101 ILE HB 1 102 THR H 0.000 . 5.000 4.439 4.120 4.590 . 0 0 "[ . 1 . 2]" 1
1281 1 101 ILE MD 1 101 ILE QG 0.000 . 7.000 1.883 1.880 1.887 0.120 17 0 "[ . 1 . 2]" 1
1282 1 101 ILE MD 1 101 ILE MG 0.000 . 6.000 1.578 1.527 1.669 0.473 13 0 "[ . 1 . 2]" 1
1283 1 101 ILE QG 1 101 ILE MG 0.000 . 6.060 2.420 2.358 2.469 . 0 0 "[ . 1 . 2]" 1
1284 1 101 ILE MG 1 102 THR H 0.000 . 5.060 2.821 2.094 3.200 . 0 0 "[ . 1 . 2]" 1
1285 1 101 ILE MG 1 102 THR HA 0.000 . 6.500 3.441 3.224 3.589 . 0 0 "[ . 1 . 2]" 1
1286 1 101 ILE MG 1 103 VAL HA 0.000 . 6.500 3.843 3.638 4.083 . 0 0 "[ . 1 . 2]" 1
1287 1 101 ILE MG 1 103 VAL HB 0.000 . 6.500 3.843 3.448 4.334 . 0 0 "[ . 1 . 2]" 1
1288 1 102 THR H 1 102 THR HB 0.000 . 5.000 2.890 2.442 3.290 . 0 0 "[ . 1 . 2]" 1
1289 1 102 THR H 1 102 THR HG1 0.000 . 6.500 2.805 1.868 3.285 0.132 5 0 "[ . 1 . 2]" 1
1290 1 102 THR HA 1 102 THR HG1 0.000 . 6.100 2.026 1.878 2.203 0.122 12 0 "[ . 1 . 2]" 1
1291 1 102 THR HA 1 103 VAL H 0.000 . 2.850 2.251 2.195 2.301 . 0 0 "[ . 1 . 2]" 1
1292 1 102 THR HA 1 103 VAL MG2 0.000 . 6.500 3.787 3.579 4.169 . 0 0 "[ . 1 . 2]" 1
1293 1 102 THR HB 1 102 THR HG1 0.000 . 4.060 2.017 1.864 2.086 0.136 8 0 "[ . 1 . 2]" 1
1294 1 102 THR HB 1 103 VAL H 0.000 . 5.000 4.279 4.076 4.528 . 0 0 "[ . 1 . 2]" 1
1295 1 102 THR HG1 1 103 VAL H 0.000 . 6.500 3.324 2.916 3.532 . 0 0 "[ . 1 . 2]" 1
1296 1 103 VAL H 1 103 VAL HB 0.000 . 5.000 2.652 2.324 2.842 . 0 0 "[ . 1 . 2]" 1
1297 1 103 VAL H 1 103 VAL MG1 0.000 . 6.500 3.813 3.690 3.843 . 0 0 "[ . 1 . 2]" 1
1298 1 103 VAL H 1 103 VAL MG2 0.000 . 6.500 2.347 1.917 2.830 0.083 8 0 "[ . 1 . 2]" 1
1299 1 103 VAL HA 1 103 VAL MG1 0.000 . 4.050 2.203 2.015 2.522 . 0 0 "[ . 1 . 2]" 1
1300 1 103 VAL HA 1 103 VAL MG2 0.000 . 4.760 2.433 2.266 2.604 . 0 0 "[ . 1 . 2]" 1
1301 1 103 VAL HA 1 104 ALA H 0.000 . 2.850 2.280 2.176 2.508 . 0 0 "[ . 1 . 2]" 1
1302 1 103 VAL HB 1 103 VAL MG1 0.000 . 5.500 2.120 2.105 2.148 . 0 0 "[ . 1 . 2]" 1
1303 1 103 VAL HB 1 103 VAL MG2 0.000 . 3.350 2.129 2.110 2.151 . 0 0 "[ . 1 . 2]" 1
1304 1 103 VAL HB 1 104 ALA H 0.000 . 5.000 4.233 3.753 4.560 . 0 0 "[ . 1 . 2]" 1
1305 1 103 VAL MG1 1 104 ALA H 0.000 . 6.500 3.034 2.022 3.845 . 0 0 "[ . 1 . 2]" 1
1306 1 103 VAL MG2 1 104 ALA H 0.000 . 6.500 4.250 3.990 4.370 . 0 0 "[ . 1 . 2]" 1
1307 1 104 ALA H 1 104 ALA MB 0.000 . 6.200 2.370 2.094 2.890 . 0 0 "[ . 1 . 2]" 1
1308 1 104 ALA HA 1 104 ALA MB 0.000 . 4.260 2.134 2.107 2.152 . 0 0 "[ . 1 . 2]" 1
1309 1 104 ALA HA 1 105 GLY H 0.000 . 3.560 2.728 2.191 3.571 0.011 6 0 "[ . 1 . 2]" 1
1310 1 104 ALA MB 1 105 GLY H 0.000 . 6.500 2.518 1.810 3.640 0.190 18 0 "[ . 1 . 2]" 1
1311 1 105 GLY H 1 105 GLY QA 0.000 . 5.000 2.375 2.237 2.535 . 0 0 "[ . 1 . 2]" 1
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